NMR Restraints Grid

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

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	type
	496814	2kz9	17000	cing	1-original	3	comment

    Structural statistics:
 
    str   target     upper limits     lower limits    van der Waals   torsion angles
        function   #    rms   max   #    rms   max   #    sum   max   #    rms   max
      1 6.84E-02   0 0.0066  0.13   0 0.0000  0.00   0    0.4  0.05   0 0.2999  2.07
      2     0.11   0 0.0094  0.12   0 0.0009  0.01   0    0.5  0.06   0 0.3345  2.14
      3     0.13   0 0.0080  0.16   0 0.0003  0.00   0    0.5  0.13   0 0.3231  2.12
      4     0.14   0 0.0107  0.14   0 0.0008  0.01   0    0.6  0.05   0 0.3356  2.05
      5     0.14   0 0.0070  0.12   0 0.0008  0.01   0    0.7  0.13   0 0.3400  2.05
      6     0.14   0 0.0073  0.13   0 0.0000  0.00   0    0.7  0.11   0 0.3733  2.14
      7     0.25   0 0.0099  0.12   0 0.0005  0.01   1    0.9  0.24   0 0.3056  1.60
      8     0.27   0 0.0130  0.18   0 0.0005  0.01   0    1.1  0.17   0 0.3106  1.87
      9     0.28   1 0.0174  0.38   0 0.0006  0.01   0    0.5  0.09   0 0.3301  1.98
     10     0.28   1 0.0168  0.38   0 0.0006  0.01   0    0.8  0.09   0 0.3675  2.04
 
    Ave     0.18   0 0.0106  0.19   0 0.0005  0.01   0    0.7  0.11   0 0.3320  2.01
    +/- 7.73E-02   0 0.0037  0.10   0 0.0003  0.00   0    0.2  0.06   0 0.0230  0.16
    Min 6.84E-02   0 0.0066  0.12   0 0.0000  0.00   0    0.4  0.05   0 0.2999  1.60
    Max     0.28   1 0.0174  0.38   0 0.0009  0.01   1    1.1  0.24   0 0.3733  2.14
    Cut                      0.20             0.20             0.20             5.00
 
    Constraints violated in 3 or more structures:
                                                   #   mean   max.  1   5   10
    0 violated distance constraints.
    0 violated van der Waals constraints.
    0 violated angle constraints.
 
    RMSDs for residues 1..20:
    Average backbone RMSD to mean   :    2.89 +/- 0.53 A (1.94..3.61 A; 10 structures)
    Average heavy atom RMSD to mean :    3.81 +/- 0.87 A (2.47..5.20 A; 10 structures)
name:= E1-69
rmsdrange:=1..20
cyanalib
read seq E1-69.seq
MET
ALA
SER
ALA
ILE
THR
ALA 
LEU
THR
PRO
ASN
GLN
VAL
ASN
ASP
GLU
LEU
ASN
LYS
MET
GLN
ALA
PHE
ILE
ARG
LYS
GLU
ALA
GLU
GLU
LYS
ALA
LYS
GLU
ILE
GLN
LEU
LYS
ALA
ASP
GLN
GLU
TYR
GLU
ILE
GLU
LYS
THR
ASN
ILE
VAL
ARG
ASN
GLU
THR
ASN
ASN
ILE
ASP
GLY
ASN
PHE
LYS
SER
LYS
LEU
LYS
LYS
ALA

# Simulated annealing and violation analysis

read seq E1-69.seq
read upl E1-69.upl
read aco E1-69.aco #append

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