NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type subtype subsubtype
24872 2k5b cing 1-original 3 HADDOCK distance NOE ambi


!
! HADDOCK AIR restraints for HSP90
!
assign ( resid 117  and segid A)
       (
        ( resid 160  and segid B)
     or
        ( resid 161  and segid B)
     or
        ( resid 164  and segid B)
     or
        ( resid 165  and segid B)
     or
        ( resid 166  and segid B)
     or
        ( resid 167  and segid B)
     or
        ( resid 168  and segid B)
     or
        ( resid 193  and segid B)
     or
        ( resid 202  and segid B)
     or
        ( resid 204  and segid B)
     or
        ( resid 205  and segid B)
     or
        ( resid 208  and segid B)
     or
        ( resid 156  and segid B)
     or
        ( resid 157  and segid B)
     or
        ( resid 158  and segid B)
     or
        ( resid 169  and segid B)
     or
        ( resid 170  and segid B)
     or
        ( resid 174  and segid B)
     or
        ( resid 189  and segid B)
     or
        ( resid 192  and segid B)
     or
        ( resid 196  and segid B)
     or
        ( resid 197  and segid B)
     or
        ( resid 200  and segid B)
     or
        ( resid 201  and segid B)
     or
        ( resid 203  and segid B)
     or
        ( resid 207  and segid B)
     or
        ( resid 211  and segid B)
     or
        ( resid 242  and segid B)
     or
        ( resid 249  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 121  and segid A)
       (
        ( resid 160  and segid B)
     or
        ( resid 161  and segid B)
     or
        ( resid 164  and segid B)
     or
        ( resid 165  and segid B)
     or
        ( resid 166  and segid B)
     or
        ( resid 167  and segid B)
     or
        ( resid 168  and segid B)
     or
        ( resid 193  and segid B)
     or
        ( resid 202  and segid B)
     or
        ( resid 204  and segid B)
     or
        ( resid 205  and segid B)
     or
        ( resid 208  and segid B)
     or
        ( resid 156  and segid B)
     or
        ( resid 157  and segid B)
     or
        ( resid 158  and segid B)
     or
        ( resid 169  and segid B)
     or
        ( resid 170  and segid B)
     or
        ( resid 174  and segid B)
     or
        ( resid 189  and segid B)
     or
        ( resid 192  and segid B)
     or
        ( resid 196  and segid B)
     or
        ( resid 197  and segid B)
     or
        ( resid 200  and segid B)
     or
        ( resid 201  and segid B)
     or
        ( resid 203  and segid B)
     or
        ( resid 207  and segid B)
     or
        ( resid 211  and segid B)
     or
        ( resid 242  and segid B)
     or
        ( resid 249  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 123  and segid A)
       (
        ( resid 160  and segid B)
     or
        ( resid 161  and segid B)
     or
        ( resid 164  and segid B)
     or
        ( resid 165  and segid B)
     or
        ( resid 166  and segid B)
     or
        ( resid 167  and segid B)
     or
        ( resid 168  and segid B)
     or
        ( resid 193  and segid B)
     or
        ( resid 202  and segid B)
     or
        ( resid 204  and segid B)
     or
        ( resid 205  and segid B)
     or
        ( resid 208  and segid B)
     or
        ( resid 156  and segid B)
     or
        ( resid 157  and segid B)
     or
        ( resid 158  and segid B)
     or
        ( resid 169  and segid B)
     or
        ( resid 170  and segid B)
     or
        ( resid 174  and segid B)
     or
        ( resid 189  and segid B)
     or
        ( resid 192  and segid B)
     or
        ( resid 196  and segid B)
     or
        ( resid 197  and segid B)
     or
        ( resid 200  and segid B)
     or
        ( resid 201  and segid B)
     or
        ( resid 203  and segid B)
     or
        ( resid 207  and segid B)
     or
        ( resid 211  and segid B)
     or
        ( resid 242  and segid B)
     or
        ( resid 249  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 124  and segid A)
       (
        ( resid 160  and segid B)
     or
        ( resid 161  and segid B)
     or
        ( resid 164  and segid B)
     or
        ( resid 165  and segid B)
     or
        ( resid 166  and segid B)
     or
        ( resid 167  and segid B)
     or
        ( resid 168  and segid B)
     or
        ( resid 193  and segid B)
     or
        ( resid 202  and segid B)
     or
        ( resid 204  and segid B)
     or
        ( resid 205  and segid B)
     or
        ( resid 208  and segid B)
     or
        ( resid 156  and segid B)
     or
        ( resid 157  and segid B)
     or
        ( resid 158  and segid B)
     or
        ( resid 169  and segid B)
     or
        ( resid 170  and segid B)
     or
        ( resid 174  and segid B)
     or
        ( resid 189  and segid B)
     or
        ( resid 192  and segid B)
     or
        ( resid 196  and segid B)
     or
        ( resid 197  and segid B)
     or
        ( resid 200  and segid B)
     or
        ( resid 201  and segid B)
     or
        ( resid 203  and segid B)
     or
        ( resid 207  and segid B)
     or
        ( resid 211  and segid B)
     or
        ( resid 242  and segid B)
     or
        ( resid 249  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 125  and segid A)
       (
        ( resid 160  and segid B)
     or
        ( resid 161  and segid B)
     or
        ( resid 164  and segid B)
     or
        ( resid 165  and segid B)
     or
        ( resid 166  and segid B)
     or
        ( resid 167  and segid B)
     or
        ( resid 168  and segid B)
     or
        ( resid 193  and segid B)
     or
        ( resid 202  and segid B)
     or
        ( resid 204  and segid B)
     or
        ( resid 205  and segid B)
     or
        ( resid 208  and segid B)
     or
        ( resid 156  and segid B)
     or
        ( resid 157  and segid B)
     or
        ( resid 158  and segid B)
     or
        ( resid 169  and segid B)
     or
        ( resid 170  and segid B)
     or
        ( resid 174  and segid B)
     or
        ( resid 189  and segid B)
     or
        ( resid 192  and segid B)
     or
        ( resid 196  and segid B)
     or
        ( resid 197  and segid B)
     or
        ( resid 200  and segid B)
     or
        ( resid 201  and segid B)
     or
        ( resid 203  and segid B)
     or
        ( resid 207  and segid B)
     or
        ( resid 211  and segid B)
     or
        ( resid 242  and segid B)
     or
        ( resid 249  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 126  and segid A)
       (
        ( resid 160  and segid B)
     or
        ( resid 161  and segid B)
     or
        ( resid 164  and segid B)
     or
        ( resid 165  and segid B)
     or
        ( resid 166  and segid B)
     or
        ( resid 167  and segid B)
     or
        ( resid 168  and segid B)
     or
        ( resid 193  and segid B)
     or
        ( resid 202  and segid B)
     or
        ( resid 204  and segid B)
     or
        ( resid 205  and segid B)
     or
        ( resid 208  and segid B)
     or
        ( resid 156  and segid B)
     or
        ( resid 157  and segid B)
     or
        ( resid 158  and segid B)
     or
        ( resid 169  and segid B)
     or
        ( resid 170  and segid B)
     or
        ( resid 174  and segid B)
     or
        ( resid 189  and segid B)
     or
        ( resid 192  and segid B)
     or
        ( resid 196  and segid B)
     or
        ( resid 197  and segid B)
     or
        ( resid 200  and segid B)
     or
        ( resid 201  and segid B)
     or
        ( resid 203  and segid B)
     or
        ( resid 207  and segid B)
     or
        ( resid 211  and segid B)
     or
        ( resid 242  and segid B)
     or
        ( resid 249  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 129  and segid A)
       (
        ( resid 160  and segid B)
     or
        ( resid 161  and segid B)
     or
        ( resid 164  and segid B)
     or
        ( resid 165  and segid B)
     or
        ( resid 166  and segid B)
     or
        ( resid 167  and segid B)
     or
        ( resid 168  and segid B)
     or
        ( resid 193  and segid B)
     or
        ( resid 202  and segid B)
     or
        ( resid 204  and segid B)
     or
        ( resid 205  and segid B)
     or
        ( resid 208  and segid B)
     or
        ( resid 156  and segid B)
     or
        ( resid 157  and segid B)
     or
        ( resid 158  and segid B)
     or
        ( resid 169  and segid B)
     or
        ( resid 170  and segid B)
     or
        ( resid 174  and segid B)
     or
        ( resid 189  and segid B)
     or
        ( resid 192  and segid B)
     or
        ( resid 196  and segid B)
     or
        ( resid 197  and segid B)
     or
        ( resid 200  and segid B)
     or
        ( resid 201  and segid B)
     or
        ( resid 203  and segid B)
     or
        ( resid 207  and segid B)
     or
        ( resid 211  and segid B)
     or
        ( resid 242  and segid B)
     or
        ( resid 249  and segid B)
       )  2.0 2.0 0.0
!
! HADDOCK AIR restraints for CDC37
!
assign ( resid 160  and segid B)
       (
        ( resid 117  and segid A)
     or
        ( resid 121  and segid A)
     or
        ( resid 123  and segid A)
     or
        ( resid 124  and segid A)
     or
        ( resid 125  and segid A)
     or
        ( resid 126  and segid A)
     or
        ( resid 129  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 32  and segid A)
     or
        ( resid 40  and segid A)
     or
        ( resid 46  and segid A)
     or
        ( resid 51  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 55  and segid A)
     or
        ( resid 114  and segid A)
     or
        ( resid 116  and segid A)
     or
        ( resid 119  and segid A)
     or
        ( resid 120  and segid A)
     or
        ( resid 122  and segid A)
     or
        ( resid 127  and segid A)
     or
        ( resid 130  and segid A)
     or
        ( resid 132  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 134  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 161  and segid B)
       (
        ( resid 117  and segid A)
     or
        ( resid 121  and segid A)
     or
        ( resid 123  and segid A)
     or
        ( resid 124  and segid A)
     or
        ( resid 125  and segid A)
     or
        ( resid 126  and segid A)
     or
        ( resid 129  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 32  and segid A)
     or
        ( resid 40  and segid A)
     or
        ( resid 46  and segid A)
     or
        ( resid 51  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 55  and segid A)
     or
        ( resid 114  and segid A)
     or
        ( resid 116  and segid A)
     or
        ( resid 119  and segid A)
     or
        ( resid 120  and segid A)
     or
        ( resid 122  and segid A)
     or
        ( resid 127  and segid A)
     or
        ( resid 130  and segid A)
     or
        ( resid 132  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 134  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 164  and segid B)
       (
        ( resid 117  and segid A)
     or
        ( resid 121  and segid A)
     or
        ( resid 123  and segid A)
     or
        ( resid 124  and segid A)
     or
        ( resid 125  and segid A)
     or
        ( resid 126  and segid A)
     or
        ( resid 129  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 32  and segid A)
     or
        ( resid 40  and segid A)
     or
        ( resid 46  and segid A)
     or
        ( resid 51  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 55  and segid A)
     or
        ( resid 114  and segid A)
     or
        ( resid 116  and segid A)
     or
        ( resid 119  and segid A)
     or
        ( resid 120  and segid A)
     or
        ( resid 122  and segid A)
     or
        ( resid 127  and segid A)
     or
        ( resid 130  and segid A)
     or
        ( resid 132  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 134  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 165  and segid B)
       (
        ( resid 117  and segid A)
     or
        ( resid 121  and segid A)
     or
        ( resid 123  and segid A)
     or
        ( resid 124  and segid A)
     or
        ( resid 125  and segid A)
     or
        ( resid 126  and segid A)
     or
        ( resid 129  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 32  and segid A)
     or
        ( resid 40  and segid A)
     or
        ( resid 46  and segid A)
     or
        ( resid 51  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 55  and segid A)
     or
        ( resid 114  and segid A)
     or
        ( resid 116  and segid A)
     or
        ( resid 119  and segid A)
     or
        ( resid 120  and segid A)
     or
        ( resid 122  and segid A)
     or
        ( resid 127  and segid A)
     or
        ( resid 130  and segid A)
     or
        ( resid 132  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 134  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 166  and segid B)
       (
        ( resid 117  and segid A)
     or
        ( resid 121  and segid A)
     or
        ( resid 123  and segid A)
     or
        ( resid 124  and segid A)
     or
        ( resid 125  and segid A)
     or
        ( resid 126  and segid A)
     or
        ( resid 129  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 32  and segid A)
     or
        ( resid 40  and segid A)
     or
        ( resid 46  and segid A)
     or
        ( resid 51  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 55  and segid A)
     or
        ( resid 114  and segid A)
     or
        ( resid 116  and segid A)
     or
        ( resid 119  and segid A)
     or
        ( resid 120  and segid A)
     or
        ( resid 122  and segid A)
     or
        ( resid 127  and segid A)
     or
        ( resid 130  and segid A)
     or
        ( resid 132  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 134  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 167  and segid B)
       (
        ( resid 117  and segid A)
     or
        ( resid 121  and segid A)
     or
        ( resid 123  and segid A)
     or
        ( resid 124  and segid A)
     or
        ( resid 125  and segid A)
     or
        ( resid 126  and segid A)
     or
        ( resid 129  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 32  and segid A)
     or
        ( resid 40  and segid A)
     or
        ( resid 46  and segid A)
     or
        ( resid 51  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 55  and segid A)
     or
        ( resid 114  and segid A)
     or
        ( resid 116  and segid A)
     or
        ( resid 119  and segid A)
     or
        ( resid 120  and segid A)
     or
        ( resid 122  and segid A)
     or
        ( resid 127  and segid A)
     or
        ( resid 130  and segid A)
     or
        ( resid 132  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 134  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 168  and segid B)
       (
        ( resid 117  and segid A)
     or
        ( resid 121  and segid A)
     or
        ( resid 123  and segid A)
     or
        ( resid 124  and segid A)
     or
        ( resid 125  and segid A)
     or
        ( resid 126  and segid A)
     or
        ( resid 129  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 32  and segid A)
     or
        ( resid 40  and segid A)
     or
        ( resid 46  and segid A)
     or
        ( resid 51  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 55  and segid A)
     or
        ( resid 114  and segid A)
     or
        ( resid 116  and segid A)
     or
        ( resid 119  and segid A)
     or
        ( resid 120  and segid A)
     or
        ( resid 122  and segid A)
     or
        ( resid 127  and segid A)
     or
        ( resid 130  and segid A)
     or
        ( resid 132  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 134  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 193  and segid B)
       (
        ( resid 117  and segid A)
     or
        ( resid 121  and segid A)
     or
        ( resid 123  and segid A)
     or
        ( resid 124  and segid A)
     or
        ( resid 125  and segid A)
     or
        ( resid 126  and segid A)
     or
        ( resid 129  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 32  and segid A)
     or
        ( resid 40  and segid A)
     or
        ( resid 46  and segid A)
     or
        ( resid 51  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 55  and segid A)
     or
        ( resid 114  and segid A)
     or
        ( resid 116  and segid A)
     or
        ( resid 119  and segid A)
     or
        ( resid 120  and segid A)
     or
        ( resid 122  and segid A)
     or
        ( resid 127  and segid A)
     or
        ( resid 130  and segid A)
     or
        ( resid 132  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 134  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 202  and segid B)
       (
        ( resid 117  and segid A)
     or
        ( resid 121  and segid A)
     or
        ( resid 123  and segid A)
     or
        ( resid 124  and segid A)
     or
        ( resid 125  and segid A)
     or
        ( resid 126  and segid A)
     or
        ( resid 129  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 32  and segid A)
     or
        ( resid 40  and segid A)
     or
        ( resid 46  and segid A)
     or
        ( resid 51  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 55  and segid A)
     or
        ( resid 114  and segid A)
     or
        ( resid 116  and segid A)
     or
        ( resid 119  and segid A)
     or
        ( resid 120  and segid A)
     or
        ( resid 122  and segid A)
     or
        ( resid 127  and segid A)
     or
        ( resid 130  and segid A)
     or
        ( resid 132  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 134  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 204  and segid B)
       (
        ( resid 117  and segid A)
     or
        ( resid 121  and segid A)
     or
        ( resid 123  and segid A)
     or
        ( resid 124  and segid A)
     or
        ( resid 125  and segid A)
     or
        ( resid 126  and segid A)
     or
        ( resid 129  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 32  and segid A)
     or
        ( resid 40  and segid A)
     or
        ( resid 46  and segid A)
     or
        ( resid 51  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 55  and segid A)
     or
        ( resid 114  and segid A)
     or
        ( resid 116  and segid A)
     or
        ( resid 119  and segid A)
     or
        ( resid 120  and segid A)
     or
        ( resid 122  and segid A)
     or
        ( resid 127  and segid A)
     or
        ( resid 130  and segid A)
     or
        ( resid 132  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 134  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 205  and segid B)
       (
        ( resid 117  and segid A)
     or
        ( resid 121  and segid A)
     or
        ( resid 123  and segid A)
     or
        ( resid 124  and segid A)
     or
        ( resid 125  and segid A)
     or
        ( resid 126  and segid A)
     or
        ( resid 129  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 32  and segid A)
     or
        ( resid 40  and segid A)
     or
        ( resid 46  and segid A)
     or
        ( resid 51  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 55  and segid A)
     or
        ( resid 114  and segid A)
     or
        ( resid 116  and segid A)
     or
        ( resid 119  and segid A)
     or
        ( resid 120  and segid A)
     or
        ( resid 122  and segid A)
     or
        ( resid 127  and segid A)
     or
        ( resid 130  and segid A)
     or
        ( resid 132  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 134  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 208  and segid B)
       (
        ( resid 117  and segid A)
     or
        ( resid 121  and segid A)
     or
        ( resid 123  and segid A)
     or
        ( resid 124  and segid A)
     or
        ( resid 125  and segid A)
     or
        ( resid 126  and segid A)
     or
        ( resid 129  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 32  and segid A)
     or
        ( resid 40  and segid A)
     or
        ( resid 46  and segid A)
     or
        ( resid 51  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 55  and segid A)
     or
        ( resid 114  and segid A)
     or
        ( resid 116  and segid A)
     or
        ( resid 119  and segid A)
     or
        ( resid 120  and segid A)
     or
        ( resid 122  and segid A)
     or
        ( resid 127  and segid A)
     or
        ( resid 130  and segid A)
     or
        ( resid 132  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 134  and segid A)
       )  2.0 2.0 0.0
!
!
!
! HADDOCK AIR restraints based on NOE
! for HSP90-DN to CDC37-unl.
!
!
! A117-HN to A204-HB#
!
assign ( resid 117 and name HN and segid A)
       (
        ( resid 204 and name HB# and segid B)
       )  4.0 4.0 2.0
!


Please acknowledge these references in publications where the data from this site have been utilized.

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