| Residue | Remarks |
|---|---|
| ASN A2 [Loop or turn ] |
Bad RS R-factor (all atoms) = 0.216 Too high temperature factor = 32.04 H/N/Q side chain flips : 1 ASN ( 2 ) A |
| PHE A3 [Loop or turn ] |
Bad RSC = 1.37 Bumps : 2 PHE ( 3 ) A N -- 44 GLN ( 45 ) A NE2 0.273 2.727 |
| ALA A4 [Loop or turn ] |
Unusual backbone torsions : 3 ALA ( 4 ) A omega poor Unusual backbone conformations : 3 ALA ( 4 ) A 0 Unsatisfied H-bond donors : 3 ALA ( 4 ) A N |
| GLY A5 [Loop or turn ] |
Bad pep-flip = 3.30 Bad RS R-factor (all atoms) = 0.190 Unusual bond angles : 4 GLY ( 5 ) A N CA C 127.444 5.2 Unusual backbone torsions : 4 GLY ( 5 ) A Poor phi/psi Unusual peptide oxygens : 4 GLY ( 5 ) A 3.35 20 |
| ALA A6 [Beta strand ] |
Bad Phi-Psi = 54.61 103.94 NOTE - non-Gly positive PHI = 54.61 Unusual backbone conformations : 5 ALA ( 6 ) A 0 |
| TRP A7 [Beta strand ] |
Bad RS R-factor (all atoms) = 0.169 Bad RSC = 1.71 Unusual bond lengths : 6 TRP ( 7 ) A CB CG 1.303 -6.3 Bumps : 6 TRP ( 7 ) A CD1 -- 121 TYR ( 133 ) C CB 0.124 3.076 |
| LYS A8 [Beta strand ] |
Bad RS R-factor (all atoms) = 0.162 |
| GLU A13 [Beta strand ] |
Bad RS R-factor (all atoms) = 0.231 Bad RSC = 2.19 Bumps : 12 GLU ( 13 ) A CG -- 57 VAL ( 58 ) A O 0.279 2.521 SYMM Bumps : 12 GLU ( 13 ) A CD -- 57 VAL ( 58 ) A O 0.122 2.678 SYMM Bumps : 12 GLU ( 13 ) A OE1 -- 118 THR ( 130 ) C CG2 0.118 2.682 Bumps : 12 GLU ( 13 ) A CD -- 118 THR ( 130 ) C CG2 0.114 3.086 Unsatisfied H-bond acceptors : 12 GLU ( 13 ) A OE2 |
| ASN A14 [Loop or turn ] |
Bad RSC = 1.50 NOTE - non-Gly positive PHI = 69.85 Unusual backbone torsions : 13 ASN ( 14 ) A Poor phi/psi |
| GLU A17 [Alpha helix ] |
Bad RS R-factor (all atoms) = 0.202 Bad RSC = 1.22 Too high temperature factor = 31.26 |
| LEU A18 [Alpha helix ] |
Bad RSC = 2.15 |
| LEU A19 [Alpha helix ] |
Bad RS R-factor (all atoms) = 0.209 Bad RSC = 2.41 Chirality deviation : 18 LEU ( 19 ) A CA -4.1 25.9 34.4 Unusual bond angles : 18 LEU ( 19 ) A C CA CB 118.362 4.3 Unusual bond angles : 18 LEU ( 19 ) A CA CB CG 130.765 4.1 Unusual torsion angles : 18 LEU ( 19 ) A -2.0529 |
| LYS A20 [Alpha helix ] |
Bad RS R-factor (all atoms) = 0.182 Too high temperature factor = 33.32 |
| LEU A22 [Alpha helix ] |
Bad RSC = 1.94 |
| ASN A25 [Loop or turn ] |
Bad RS R-factor (all atoms) = 0.219 Too high temperature factor = 33.05 Bumps : 24 ASN ( 25 ) A O -- 25 ALA ( 26 ) A C 0.031 2.769 |
| ALA A26 [Alpha helix ] |
Bumps : 24 ASN ( 25 ) A O -- 25 ALA ( 26 ) A C 0.031 2.769 |
| MET A27 [Alpha helix ] |
Bad RS R-factor (all atoms) = 0.201 Bad RSC = 1.80 Too high temperature factor = 37.85 |
| LEU A28 [Alpha helix ] |
Bad RSC = 1.66 |
| ARG A29 [Alpha helix ] |
Bad RS R-factor (all atoms) = 0.161 Bad RSC = 1.13 |
| LYS A30 [Alpha helix ] |
Bad RS R-factor (all atoms) = 0.251 Too high temperature factor = 30.80 |
| LYS A38 [Loop or turn ] |
Bad RS R-factor (all atoms) = 0.244 Too high temperature factor = 33.06 |
| PRO A39 [Beta strand ] |
NOTE - Pro PHI (not near -65.4 +/- 11.2) = -81.44 Unusual backbone torsions : 38 PRO ( 39 ) A Poor PRO-phi |
| GLU A42 [Beta strand ] |
Bad RS R-factor (all atoms) = 0.201 Bad RSC = 1.81 Too high temperature factor = 32.55 |
| ILE A43 [Beta strand ] |
Unsatisfied H-bond donors : 42 ILE ( 43 ) A N |
| GLN A45 [Beta strand ] |
Bad RSC = 1.80 Bumps : 2 PHE ( 3 ) A N -- 44 GLN ( 45 ) A NE2 0.273 2.727 H/N/Q side chain flips : 44 GLN ( 45 ) A |
| ALA A46 [Beta strand ] |
Bumps : 45 ALA ( 46 ) A O -- 46 GLY ( 47 ) A C 0.099 2.701 |
| GLY A47 [Loop or turn ] |
Bad RS R-factor (all atoms) = 0.209 Unusual torsion angles : 46 GLY ( 47 ) A -2.4154 Unusual backbone torsions : 46 GLY ( 47 ) A Poor phi/psi Bumps : 45 ALA ( 46 ) A O -- 46 GLY ( 47 ) A C 0.099 2.701 Unusual peptide oxygens : 46 GLY ( 47 ) A 3.33 25 |
| ASP A48 [Loop or turn ] |
Bad RS R-factor (all atoms) = 0.161 Bad Phi-Psi = 68.71 -20.47 NOTE - non-Gly positive PHI = 68.71 Unusual backbone torsions : 47 ASP ( 48 ) A Poor phi/psi |
| TYR A51 [Beta strand ] |
Bad RSC = 1.55 |
| ILE A52 [Beta strand ] |
Unusual bond lengths : 51 ILE ( 52 ) A CG1 CD1 1.346 -4.3 |
| THR A57 [Loop or turn ] |
Bad RS R-factor (all atoms) = 0.162 |
| VAL A58 [Loop or turn ] |
Bumps : 12 GLU ( 13 ) A CG -- 57 VAL ( 58 ) A O 0.279 2.521 SYMM Bumps : 12 GLU ( 13 ) A CD -- 57 VAL ( 58 ) A O 0.122 2.678 SYMM Bumps : 57 VAL ( 58 ) A O -- 58 ARG ( 59 ) A CB 0.006 2.794 |
| ARG A59 [Beta strand ] |
Bad RS R-factor (all atoms) = 0.223 Bad RSC = 1.33 Bad Phi-Psi = -172.92 137.36 Too high temperature factor = 36.10 Unusual torsion angles : 58 ARG ( 59 ) A -2.0380 Bumps : 57 VAL ( 58 ) A O -- 58 ARG ( 59 ) A CB 0.006 2.794 Abnormal packing environments : 58 ARG ( 59 ) A -5.06 |
| THR A60 [Beta strand ] |
Unusual rotamers : 59 THR ( 60 ) A 0.39 |
| GLU A62 [Beta strand ] |
Bad RS R-factor (all atoms) = 0.168 Bad RSC = 1.48 |
| ASN A64 [Beta strand ] |
Bad RSC = 1.54 H/N/Q side chain flips : 63 ASN ( 64 ) A |
| LYS A66 [Loop or turn ] |
Bad RS R-factor (all atoms) = 0.241 |
| GLU A72 [Beta strand ] |
Bad RS R-factor (all atoms) = 0.270 Bad RSC = 1.78 Too high temperature factor = 36.48 |
| GLU A73 [Loop or turn ] |
Bad Phi-Psi = -142.45 -152.74 Unusual backbone torsions : 72 GLU ( 73 ) A Poor phi/psi |
| THR A75 [Loop or turn ] |
Bad pep-flip = 3.23 Bad RS R-factor (all atoms) = 0.195 Unusual bond angles : 74 THR ( 75 ) A N CA C 124.392 4.7 Unusual bond angles : 74 THR ( 75 ) A C CA CB 102.162 -4.2 Bumps : 74 THR ( 75 ) A O -- 75 VAL ( 76 ) A CB 0.175 2.625 |
| VAL A76 [Loop or turn ] |
Bad RS R-factor (all atoms) = 0.177 Bad Phi-Psi = 91.02 -52.71 NOTE - non-Gly positive PHI = 91.02 Unusual bond angles : 75 VAL ( 76 ) A N CA CB 118.955 5.0 Unusual backbone torsions : 75 VAL ( 76 ) A Poor phi/psi Bumps : 74 THR ( 75 ) A O -- 75 VAL ( 76 ) A CB 0.175 2.625 Unusual backbone conformations : 75 VAL ( 76 ) A 0 |
| GLY A78 [Loop or turn ] |
Unsatisfied H-bond donors : 77 GLY ( 78 ) A N |
| ARG A79 [Loop or turn ] |
Too high temperature factor = 36.29 |
| LEU A84 [Beta strand ] |
Bad RSC = 2.30 |
| GLU A88 [Loop or turn ] |
Bad RSC = 1.30 |
| ALA A89 [Loop or turn ] |
Bumps : 88 ALA ( 89 ) A O -- 89 GLU ( 90 ) A C 0.027 2.773 Unusual backbone conformations : 88 ALA ( 89 ) A 2 |
| GLU A90 [Loop or turn ] |
Bumps : 88 ALA ( 89 ) A O -- 89 GLU ( 90 ) A C 0.027 2.773 |
| ASN A91 [Loop or turn ] |
Bad RS R-factor (all atoms) = 0.200 Bad RSC = 1.56 Chirality deviation : 90 ASN ( 91 ) A CA -4.4 23.4 33.8 Unusual backbone conformations : 90 ASN ( 91 ) A 1 |
| LYS A92 [Beta strand ] |
Unusual torsion angles : 91 LYS ( 92 ) A -2.1302 Bumps : 91 LYS ( 92 ) A CE -- 102 THR ( 110 ) B CG2 0.011 3.189 |
| THR B110 [Beta strand ] |
Unusual bond lengths : 102 THR ( 110 ) B CB CG2 1.384 -4.1 Unusual bond angles : 102 THR ( 110 ) B N CA CB 101.069 -5.5 Bumps : 91 LYS ( 92 ) A CE -- 102 THR ( 110 ) B CG2 0.011 3.189 |
| GLU B112 [Beta strand ] |
Bad RS R-factor (all atoms) = 0.200 Bad RSC = 2.01 Unsatisfied H-bond acceptors : 104 GLU ( 112 ) B OE1 |
| LEU B113 [Loop or turn ] |
Bad pep-flip = 4.46 |
| LEU C120 [Beta strand ] |
Bad RSC = 2.23 |
| ALA C124 [Beta strand ] |
Bumps : 112 ALA ( 124 ) C O -- 113 ASP ( 125 ) C C 0.122 2.678 |
| ASP C125 [Loop or turn ] |
Bad RS R-factor (all atoms) = 0.215 Bad RSC = 1.80 Bad Phi-Psi = 36.82 74.81 NOTE - non-Gly positive PHI = 36.82 Too high temperature factor = 32.04 Unusual torsion angles : 113 ASP ( 125 ) C -2.3772 Bumps : 112 ALA ( 124 ) C O -- 113 ASP ( 125 ) C C 0.122 2.678 Bumps : 113 ASP ( 125 ) C O -- 114 ASP ( 126 ) C CB 0.108 2.692 |
| ASP C126 [Loop or turn ] |
Bad RS R-factor (all atoms) = 0.205 Bad RSC = 1.26 Bad Phi-Psi = 91.55 -46.75 NOTE - non-Gly positive PHI = 91.55 Too high temperature factor = 32.86 Unusual backbone torsions : 114 ASP ( 126 ) C Poor phi/psi Bumps : 113 ASP ( 125 ) C O -- 114 ASP ( 126 ) C CB 0.108 2.692 Unusual backbone conformations : 114 ASP ( 126 ) C 0 |
| THR C130 [Beta strand ] |
Bumps : 12 GLU ( 13 ) A OE1 -- 118 THR ( 130 ) C CG2 0.118 2.682 Bumps : 12 GLU ( 13 ) A CD -- 118 THR ( 130 ) C CG2 0.114 3.086 |
| TYR C133 [Beta strand ] |
Bumps : 6 TRP ( 7 ) A CD1 -- 121 TYR ( 133 ) C CB 0.124 3.076 |