What is STAP refinement of NMR Database?


STAP refinement of NMR Database is based the Statistical Torsion Angles Potentials to refine the NMR structure. It stored original solution NMR structures from the Protein Data Banks and our refined structures. Currently we carried out 2,405 refined NMR structure (until Sept 20, 2011). 

 

You can read our paper: STAP Refinement of the NMR database: a database of 2405 refined solution NMR structures

 

Guideline for STAP refinement of NMR Database

 


 

structGo ramaGo

 

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Structure View

 

 


It is build on the Kinemage, Next Generation (KiNG) is an interactive system for three-dimensional vector graphics. 

 

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Ramachandran Plot View

 

It is build on the Kinemage, Next Generation (KiNG) is an interactive system for three-dimensional vector graphics.

 

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Individual ensemble

 

introductory remarks


ID:
Str#:
NOE#:
Steric:
DOPE:
nDOPE:
dDFIRE:
Molp (fav|all|dis):
PROCHECK(fav|all||gen|dis):
1st PQ:
2nd PQ:
Rama:
1-2:
Backbone:
Bond-L:
Bond-A:
Omega:
Side:
Improper:
Inside/Outside:
Remark:                                                                                           

Protein Data Bank ID
Indicator of Individual Ensemble Structure
RMS Violation of all Distance Restaraints
Steric Clash Score
DOPE Score
Normalized DOPE Score
dDFIRE Score
MolProbity (Favorable|Allowed|Disallowed)
PROCHECK (Favorable|Allowed|Generouslly Allowed|Disallowed)
1st Packing Quality
2nd Packing Quality
Ramachandran Plot Appearance
1-2: Rotamer Normality
Backbone Conformation
Bond Lengths
Bond Angles
Omega Angle Restraints
Side Chain Planarity
Improper Dihedral Distribution
Inside and Outside Distribution
0 = native; 1 = refined

 

1a24 10 0.12 0.00 -21088.60 -1.46 -437.51 95.72|4.28|0.00 88.00|11.40|0.00|0.60 -1.06 -1.35 2.11 -1.06 -1.10 0.81 1.01 1.18 0.61 0.82 NA 0.943 1
1a24 11 0.11 0.00 -20959.16 -1.42 -429.38 96.26|3.74|0.00 91.60|7.20|0.00|1.20 -1.08 -1.51 1.61 -1.09 -1.35 0.81 1.02 1.17 0.59 0.81 NA 0.945 1
1a24 12 0.12 0.00 -21048.16 -1.45 -436.98 98.40|1.07|0.53 91.60|7.20|0.60|0.60 -0.95 -1.64 2.05 -2.34 -1.46 0.81 1.02 1.13 0.59 0.81 NA 0.951 1
1a24 13 0.12 0.00 -20704.10 -1.32 -431.68 95.19|3.74|1.07 91.60|5.40|1.20|1.80 -1.01 -1.70 2.29 -1.84 -0.85 0.81 1.01 1.22 0.55 0.76 NA 0.967 1
1a24 14 0.12 0.00 -20784.70 -1.35 -430.42 97.86|1.60|0.53 89.80|9.00|1.20|0.00 -1.10 -1.56 1.98 -1.18 -1.40 0.81 1.01 1.27 0.56 0.81 NA 0.958 1
1a24 15 0.12 0.00 -20710.49 -1.32 -430.87 97.33|1.60|1.07 92.20|6.00|0.60|1.20 -0.91 -2.01 1.74 -0.94 -1.43 0.81 1.04 1.13 0.63 0.81 NA 0.952 1
1a24 16 0.12 0.00 -20445.42 -1.22 -425.98 94.65|5.35|0.00 89.20|8.40|0.60|1.80 -1.06 -1.55 1.85 -0.57 -0.77 0.80 1.01 1.17 0.60 0.80 NA 0.963 1
1a24 17 0.12 0.00 -20689.61 -1.31 -427.11 97.33|1.60|1.07 90.40|7.80|1.20|0.60 -1.14 -1.52 1.83 -0.90 -1.35 0.81 1.03 1.31 0.56 0.79 NA 0.941 1
1a24 18 0.12 0.00 -20480.65 -1.24 -435.14 97.86|2.14|0.00 94.60|5.40|0.00|0.00 -0.90 -1.46 2.00 -0.88 -1.35 0.80 1.02 1.18 0.61 0.79 NA 0.958 1
1a24 19 0.12 0.00 -20980.75 -1.42 -436.14 96.26|3.21|0.53 92.20|5.40|1.20|1.20 -1.11 -1.50 2.06 -0.73 -0.88 0.81 1.01 1.22 0.57 0.81 NA 0.982 1
1a24 1 0.12 0.00 -20496.60 -1.24 -428.71 97.86|1.60|0.53 92.20|6.60|0.60|0.60 -0.82 -1.20 2.17 -1.29 -0.80 0.80 1.01 1.10 0.70 0.80 NA 0.952 1
1a24 20 0.12 0.00 -20519.15 -1.25 -427.44 97.86|1.60|0.53 92.80|6.00|0.00|1.20 -0.95 -1.38 1.98 -1.27 -1.14 0.80 1.00 1.08 0.61 0.79 NA 0.967 1
1a24 2 0.12 0.00 -21056.00 -1.45 -435.56 98.40|1.07|0.53 90.40|9.00|0.60|0.00 -0.79 -1.50 2.14 -1.86 -0.59 0.81 1.00 1.26 0.62 0.78 NA 0.939 1
1a24 3 0.12 0.00 -20901.75 -1.39 -433.39 96.26|3.74|0.00 90.40|9.00|0.00|0.60 -1.01 -1.49 1.92 -1.19 -0.61 0.81 1.01 1.07 0.66 0.79 NA 0.949 1
1a24 4 0.12 0.00 -20865.37 -1.38 -435.24 98.93|1.07|0.00 92.20|7.20|0.00|0.60 -0.94 -1.11 2.25 0.26 -0.70 0.80 0.99 1.11 0.64 0.83 NA 0.944 1
1a24 5 0.12 0.68 -20851.77 -1.38 -431.70 95.19|4.28|0.53 90.40|6.00|1.80|1.80 -0.85 -1.22 2.18 -1.44 -1.36 0.81 1.02 1.27 0.65 0.81 NA 0.964 1
1a24 6 0.12 0.00 -20957.95 -1.42 -439.55 96.79|3.21|0.00 90.40|8.40|0.60|0.60 -0.94 -1.45 2.60 -0.14 -0.99 0.81 1.00 1.22 0.64 0.78 NA 0.965 1
1a24 7 0.12 0.00 -20979.36 -1.42 -432.02 97.86|1.60|0.53 92.80|6.00|0.60|0.60 -0.88 -1.41 2.62 -1.11 -0.95 0.81 1.02 1.18 0.68 0.83 NA 0.963 1
1a24 8 0.12 0.00 -20978.15 -1.42 -433.26 96.79|2.67|0.53 92.80|6.00|0.60|0.60 -0.90 -1.57 2.37 -1.90 -0.75 0.81 1.02 1.19 0.68 0.82 NA 0.981 1
1a24 9 0.12 0.00 -21114.43 -1.47 -435.12 95.19|4.28|0.53 90.40|7.20|1.20|1.20 -1.19 -1.33 2.35 -0.18 -0.97 0.81 1.01 1.04 0.58 0.79 NA 0.955 1

 

Coordinate result file