A0A087XXY8_POEFO Loading...

Tetratricopeptide repeat domain 19

AlphaFold DB , UniProt , Accession A0A087XXY8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 307 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1A38.1Very low47.9Very low153 Ų153137.5 Ų137.5100%1.26478%0.781SS**  0110.1000000107.4S3A1-S3 PolarHBondContact O-N 3.41Å
2F37Very low50.3Low210 Ų210141.8 Ų141.892%0.92179%0.789SS**  trans-67.8118.2172-97.9-96.3000107.8L4F2-L4 PolarHBondContact O-N 3.38Å
3S36Very low52.6Low96 Ų96138.9 Ų138.967%0.67176%0.759SS**  trans-72.8112.1171.3-174.20000108.4A1 F5A1-S3 PolarHBondContact O-N 3.41Å; S3-F5 PolarHBondContact O-N 2.99Å; S3-F5 PolarHBondContact OG-O 3.36Å
4L48.3Very low55Low156 Ų156134.9 Ų134.982%0.81774%0.737SS**SBendtrans-82.97.1175.2-96.5155.1000113.1F2F2-L4 PolarHBondContact O-N 3.38Å
5F55.7Low57Low193 Ų193134.7 Ų134.785%0.84673%0.729SS**  trans-139.691176.1-73.3-84.7000109.3S3S3-F5 PolarHBondContact O-N 2.99Å; S3-F5 PolarHBondContact OG-O 3.36Å
6S44Very low58.6Low104 Ų104130.5 Ų130.573%0.72772%0.718SS**  trans-117.3106.1161.5156.70000105.1
7S45.3Very low60.2Low84 Ų84128.1 Ų128.159%0.58770%0.7SS**  trans28.3115.3163.6540000117.5D9S7-D9 PolarHBondContact O-N 3.45Å
8T46.4Very low61.9Low137 Ų137127.1 Ų127.184%0.8468%0.684SS**  trans-47.589.4145.541.60000109.6E10T8-E10 VanDerWaalsContact C-N 3.26Å; T8-E10 PolarHBondContact O-N 3.5Å; T8-E10 VanDerWaalsContact O-N 3.08Å
9D49.8Very low63.4Low146 Ų146123.7 Ų123.778%0.78166%0.663SS**  trans-63.9100.2150.8-90.2-27.9000104.7S7 D11S7-D9 PolarHBondContact O-N 3.45Å; D9-D11 PolarHBondContact O-N 3.23Å; D9-D11 VanDerWaalsContact O-N 3.08Å
10E58.2Low64.8Low166 Ų166122.1 Ų122.178%0.77665%0.651SS**  trans-55.1117.9168.8-75.9-176.1162.600107T8 Q12T8-E10 VanDerWaalsContact C-N 3.26Å; T8-E10 PolarHBondContact O-N 3.5Å; T8-E10 VanDerWaalsContact O-N 3.08Å; E10-Q12 VanDerWaalsContact O-CG 3.26Å; E10-Q12 WeakPolarHBondContact O-CG 3.37Å; E10-Q12 PolarHBondContact O-N 2.72Å
11D67.6Low66.2Low67 Ų67119.2 Ų119.236%0.35864%0.635SS.*  trans-59.395.7-179.6-176.4-0000110.2D9 R13 R18D9-D11 PolarHBondContact O-N 3.23Å; D9-D11 VanDerWaalsContact O-N 3.08Å; D11-R13 VanDerWaalsContact CG-NH2 3.29Å; D11-R13 PolarHBondContact O-N 2.8Å; D11-R13 VanDerWaalsContact O-N 3.16Å; D11-R13 WeakPolarHBondContact OD1-CB 3.49Å; D11-R13 WeakPolarHBondContact OD1-CG 3.24Å; D11-R13 IonicContact OD1-CZ 3.67Å; D11-R13 PolarHBondContact OD1-N 3.29Å; D11-R13 IonicContact OD1-NE 3.49Å; D11-R13 PolarHBondContact OD1-NE 3.08Å; D11-R13 IonicContact OD1-NH2 3.9Å; D11-R13 PolarHBondContact OD1-NH2 3.29Å; D11-R13 IonicContact OD2-CZ 3.53Å; D11-R13 IonicContact OD2-NE 2.66Å; D11-R13 PolarHBondContact OD2-NE 3.18Å; D11-R13 IonicContact OD2-NH2 3.37Å; D11-R13 PolarHBondContact OD2-NH2 2.72Å; D11-R18 PolarHBondContact O-NH2 3.2Å; D11-R18 IonicContact OD2-CZ 3.45Å; D11-R18 IonicContact OD2-NE 3.46Å
12Q76.9Confident68.9Low189 Ų189116 Ų11688%0.88360%0.597SS**  trans-71.7-2.8-174.8-59.6-172.8-3.900113.3E10E10-Q12 VanDerWaalsContact O-CG 3.26Å; E10-Q12 WeakPolarHBondContact O-CG 3.37Å; E10-Q12 PolarHBondContact O-N 2.72Å
13R80.3Confident71.8Confident105 Ų105106.1 Ų106.140%0.39655%0.554SS.*  trans-70136.9-179.7-67174-68.2-1772.1111D11 Q17 R18 D21D11-R13 VanDerWaalsContact CG-NH2 3.29Å; D11-R13 PolarHBondContact O-N 2.8Å; D11-R13 VanDerWaalsContact O-N 3.16Å; D11-R13 WeakPolarHBondContact OD1-CB 3.49Å; D11-R13 WeakPolarHBondContact OD1-CG 3.24Å; D11-R13 IonicContact OD1-CZ 3.67Å; D11-R13 PolarHBondContact OD1-N 3.29Å; D11-R13 IonicContact OD1-NE 3.49Å; D11-R13 PolarHBondContact OD1-NE 3.08Å; D11-R13 IonicContact OD1-NH2 3.9Å; D11-R13 PolarHBondContact OD1-NH2 3.29Å; D11-R13 IonicContact OD2-CZ 3.53Å; D11-R13 IonicContact OD2-NE 2.66Å; D11-R13 PolarHBondContact OD2-NE 3.18Å; D11-R13 IonicContact OD2-NH2 3.37Å; D11-R13 PolarHBondContact OD2-NH2 2.72Å; R13-Q17 VanDerWaalsContact CA-OE1 3.28Å; R13-Q17 HydrophobicContact CB-CB 3.98Å; R13-Q17 HydrophobicContact CG-CB 4.34Å; R13-R18 HydrophobicContact CB-CG 3.86Å; R13-R18 PolarHBondContact O-NE 3.38Å; R13-R18 PolarHBondContact O-NH2 3.02Å; R13-D21 WeakPolarHBondContact CD-OD2 3.31Å; R13-D21 IonicContact CZ-OD2 3.04Å; R13-D21 IonicContact NE-OD2 3.64Å; R13-D21 IonicContact NH1-OD2 3.02Å; R13-D21 PolarHBondContact NH1-OD2 2.84Å
14D86.3Confident74.6Confident83 Ų83104.6 Ų104.644%0.44454%0.538SS..  trans-72170.417070.539.8000111.8A16 Q17 R18D14-A16 PolarHBondContact O-N 2.96Å; D14-A16 WeakPolarHBondContact OD1-CA 3.18Å; D14-A16 WeakPolarHBondContact OD1-CB 3.27Å; D14-A16 PolarHBondContact OD1-N 3.49Å; D14-Q17 PolarHBondContact O-N 3.35Å; D14-Q17 WeakPolarHBondContact OD1-CG 3.48Å; D14-Q17 PolarHBondContact OD1-N 3.13Å; D14-R18 VanDerWaalsContact O-CG 3.3Å; D14-R18 WeakPolarHBondContact O-CG 3.29Å; D14-R18 PolarHBondContact O-N 2.94Å
15E84.9Confident77Confident132 Ų132101.1 Ų101.162%0.61752%0.519SS*.Hα-helixtrans-62.3-31.9-177.8-167.2-174.3156.800112.7K19E15-K19 WeakPolarHBondContact O-CG 3.24Å; E15-K19 PolarHBondContact O-N 3.07Å; E15-K19 VanDerWaalsContact O-N 3.09Å; E15-K19 VanDerWaalsContact OE1-CE 3.23Å; E15-K19 WeakPolarHBondContact OE1-CE 3.38Å; E15-K19 IonicContact OE1-NZ 2.69Å; E15-K19 PolarHBondContact OE1-NZ 3.18Å
16A82.3Confident79Confident67 Ų6793 Ų9355%0.55449%0.485SS*.Hα-helixtrans-71.1-44.7179.100000110.9D14 R18 K19 E20D14-A16 PolarHBondContact O-N 2.96Å; D14-A16 WeakPolarHBondContact OD1-CA 3.18Å; D14-A16 WeakPolarHBondContact OD1-CB 3.27Å; D14-A16 PolarHBondContact OD1-N 3.49Å; A16-R18 PolarHBondContact O-N 3.05Å; A16-K19 PolarHBondContact O-N 2.97Å; A16-E20 PolarHBondContact O-N 2.94Å
17Q86.6Confident81.5Confident89 Ų8989 Ų8942%0.41646%0.455SS..Hα-helixtrans-61.3-42174.9-71.3174-11.900111.6R13 D14 K19 E20 D21R13-Q17 VanDerWaalsContact CA-OE1 3.28Å; R13-Q17 HydrophobicContact CB-CB 3.98Å; R13-Q17 HydrophobicContact CG-CB 4.34Å; D14-Q17 PolarHBondContact O-N 3.35Å; D14-Q17 WeakPolarHBondContact OD1-CG 3.48Å; D14-Q17 PolarHBondContact OD1-N 3.13Å; Q17-K19 PolarHBondContact O-N 3.43Å; Q17-E20 PolarHBondContact O-N 3.28Å; Q17-D21 PolarHBondContact O-N 3.25Å
18R90.6Very high84Confident111 Ų11191.8 Ų91.842%0.41946%0.457SS..Hα-helixtrans-61.5-44175.3-69.6173.3-168.7-163.2-1.5111.9D11 R13 D14 A16 E20 D21 D22D11-R18 PolarHBondContact O-NH2 3.2Å; D11-R18 IonicContact OD2-CZ 3.45Å; D11-R18 IonicContact OD2-NE 3.46Å; R13-R18 HydrophobicContact CB-CG 3.86Å; R13-R18 PolarHBondContact O-NE 3.38Å; R13-R18 PolarHBondContact O-NH2 3.02Å; D14-R18 VanDerWaalsContact O-CG 3.3Å; D14-R18 WeakPolarHBondContact O-CG 3.29Å; D14-R18 PolarHBondContact O-N 2.94Å; A16-R18 PolarHBondContact O-N 3.05Å; R18-E20 VanDerWaalsContact C-N 3.34Å; R18-D21 PolarHBondContact O-N 2.81Å; R18-D22 PolarHBondContact O-N 2.74Å
19K90.4Very high86.4Confident63 Ų6389.6 Ų89.627%0.27444%0.435SS..Hα-helixtrans-66.8-35.6176.6-71.1177.5-174.8166.30112E15 A16 Q17 D22 I23 L52 T56E15-K19 WeakPolarHBondContact O-CG 3.24Å; E15-K19 PolarHBondContact O-N 3.07Å; E15-K19 VanDerWaalsContact O-N 3.09Å; E15-K19 VanDerWaalsContact OE1-CE 3.23Å; E15-K19 WeakPolarHBondContact OE1-CE 3.38Å; E15-K19 IonicContact OE1-NZ 2.69Å; E15-K19 PolarHBondContact OE1-NZ 3.18Å; A16-K19 PolarHBondContact O-N 2.97Å; Q17-K19 PolarHBondContact O-N 3.43Å; K19-D22 PolarHBondContact O-N 3.17Å; K19-I23 VanDerWaalsContact O-CG1 3.27Å; K19-I23 WeakPolarHBondContact O-CG1 3.5Å; K19-I23 PolarHBondContact O-N 3.44Å; K19-L52 HydrophobicContact CB-CD1 4.28Å; K19-L52 HydrophobicContact CD-CD1 4.27Å; K19-L52 HydrophobicContact CG-CD1 4.14Å; K19-T56 HydrophobicContact CB-CG2 3.64Å; K19-T56 HydrophobicContact CD-CG2 3.55Å; K19-T56 HydrophobicContact CG-CG2 4.2Å
20E91.1Very high88.7Confident91 Ų9182.6 Ų82.643%0.42540%0.398SS..Hα-helixtrans-64.5-44.3173.9-174.5166.6-15600111.8A16 Q17 R18 D22 I23 I24A16-E20 PolarHBondContact O-N 2.94Å; Q17-E20 PolarHBondContact O-N 3.28Å; R18-E20 VanDerWaalsContact C-N 3.34Å; E20-D22 VanDerWaalsContact C-N 3.31Å; E20-D22 PolarHBondContact O-N 3.29Å; E20-I23 WeakPolarHBondContact O-CB 3.5Å; E20-I23 PolarHBondContact O-N 3.42Å; E20-I24 HydrophobicContact CG-CD1 4.17Å; E20-I24 WeakPolarHBondContact O-CG1 3.22Å; E20-I24 PolarHBondContact O-N 3.5Å
21D93.8Very high90.4Very high61 Ų6179.9 Ų79.933%0.32638%0.383SS..Hα-helixtrans-61.3-39174.2-76.3-27.9000112.3R13 Q17 R18 I24 L25R13-D21 WeakPolarHBondContact CD-OD2 3.31Å; R13-D21 IonicContact CZ-OD2 3.04Å; R13-D21 IonicContact NE-OD2 3.64Å; R13-D21 IonicContact NH1-OD2 3.02Å; R13-D21 PolarHBondContact NH1-OD2 2.84Å; Q17-D21 PolarHBondContact O-N 3.25Å; R18-D21 PolarHBondContact O-N 2.81Å; D21-I24 PolarHBondContact O-N 3Å; D21-L25 WeakPolarHBondContact O-CB 3.4Å; D21-L25 PolarHBondContact O-N 2.9Å
22D95.8Very high91.8Very high85 Ų8580.6 Ų80.646%0.45539%0.387SS..Hα-helixtrans-64.1-42.5174.7-76.6-22000111.8R18 K19 E20 L25 L26 L52R18-D22 PolarHBondContact O-N 2.74Å; K19-D22 PolarHBondContact O-N 3.17Å; E20-D22 VanDerWaalsContact C-N 3.31Å; E20-D22 PolarHBondContact O-N 3.29Å; D22-L25 PolarHBondContact O-N 3.32Å; D22-L26 WeakPolarHBondContact O-CB 3.48Å; D22-L26 VanDerWaalsContact O-CG 3.26Å; D22-L26 WeakPolarHBondContact O-CG 3.33Å; D22-L26 PolarHBondContact O-N 2.87Å; D22-L52 HydrophobicContact CB-CD2 3.63Å
23I96.8Very high92.7Very high3 Ų372.3 Ų72.32%0.01535%0.35CS..Hα-helixtrans-58.9-49.9173-67.5163.3000109.8K19 E20 L25 L26 L27 L52 A53 A61K19-I23 VanDerWaalsContact O-CG1 3.27Å; K19-I23 WeakPolarHBondContact O-CG1 3.5Å; K19-I23 PolarHBondContact O-N 3.44Å; E20-I23 WeakPolarHBondContact O-CB 3.5Å; E20-I23 PolarHBondContact O-N 3.42Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.02Å; I23-L26 PolarHBondContact O-N 2.89Å; I23-L27 HydrophobicContact CG2-CD1 3.85Å; I23-L27 HydrophobicContact CG2-CG 4.35Å; I23-L27 VanDerWaalsContact O-CG 3.31Å; I23-L27 WeakPolarHBondContact O-CG 3.43Å; I23-L27 PolarHBondContact O-N 3.02Å; I23-L52 HydrophobicContact CD1-CB 4.49Å; I23-L52 HydrophobicContact CD1-CG 4.11Å; I23-L52 HydrophobicContact CG1-CB 3.92Å; I23-L52 HydrophobicContact CG1-CD2 3.69Å; I23-L52 HydrophobicContact CG1-CG 3.66Å; I23-A53 HydrophobicContact CD1-CB 3.98Å; I23-A61 HydrophobicContact CD1-CB 4.4Å; I23-A61 HydrophobicContact CG2-CB 3.96Å
24I96Very high93.4Very high65 Ų6569.2 Ų69.233%0.33334%0.341SS..Hα-helixtrans-59.5-42.4179.8-68.6166.3000110.6E20 D21 L27 K28E20-I24 HydrophobicContact CG-CD1 4.17Å; E20-I24 WeakPolarHBondContact O-CG1 3.22Å; E20-I24 PolarHBondContact O-N 3.5Å; D21-I24 PolarHBondContact O-N 3Å; I24-L27 PolarHBondContact O-N 3.32Å; I24-K28 HydrophobicContact CG2-CD 4.06Å; I24-K28 WeakPolarHBondContact O-CB 3.5Å; I24-K28 WeakPolarHBondContact O-CG 3.42Å; I24-K28 PolarHBondContact O-N 3.29Å
25L97.6Very high93.6Very high83 Ų8372 Ų7244%0.43535%0.351SS..Hα-helixtrans-63-43.9177.7179.561.4000111.7D21 D22 I23 K28 K29D21-L25 WeakPolarHBondContact O-CB 3.4Å; D21-L25 PolarHBondContact O-N 2.9Å; D22-L25 PolarHBondContact O-N 3.32Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.02Å; L25-K28 PolarHBondContact O-N 3.44Å; L25-K29 HydrophobicContact CG-CD 4.41Å; L25-K29 WeakPolarHBondContact O-CG 3.3Å; L25-K29 PolarHBondContact O-N 2.7Å
26L98.2Very high94.1Very high22 Ų2274.9 Ų74.912%0.11536%0.356CS..Hα-helixtrans-62.1-44.9176.5-71.8166.9000111.3D22 I23 K28 K29 A30 F45 Q48 A49 L52D22-L26 WeakPolarHBondContact O-CB 3.48Å; D22-L26 VanDerWaalsContact O-CG 3.26Å; D22-L26 WeakPolarHBondContact O-CG 3.33Å; D22-L26 PolarHBondContact O-N 2.87Å; I23-L26 PolarHBondContact O-N 2.89Å; L26-K28 PolarHBondContact O-N 3.23Å; L26-K29 PolarHBondContact O-N 3.03Å; L26-A30 WeakPolarHBondContact O-CB 3.35Å; L26-A30 PolarHBondContact O-N 3.26Å; L26-F45 HydrophobicContact CD2-CD1 3.9Å; L26-Q48 HydrophobicContact CD1-CB 3.88Å; L26-Q48 HydrophobicContact CD2-CB 4Å; L26-A49 HydrophobicContact CB-CB 3.88Å; L26-A49 HydrophobicContact CD1-CB 4.38Å; L26-L52 HydrophobicContact CD1-CD2 4.49Å
27L97.1Very high94.5Very high20 Ų2074.3 Ų74.311%0.10536%0.357CS..Hα-helixtrans-61.7-41.8176.6-68.7170.7000112.2I23 I24 A30 K31 F46 A49 Y64 T65I23-L27 HydrophobicContact CG2-CD1 3.85Å; I23-L27 HydrophobicContact CG2-CG 4.35Å; I23-L27 VanDerWaalsContact O-CG 3.31Å; I23-L27 WeakPolarHBondContact O-CG 3.43Å; I23-L27 PolarHBondContact O-N 3.02Å; I24-L27 PolarHBondContact O-N 3.32Å; L27-A30 PolarHBondContact O-N 2.95Å; L27-K31 PolarHBondContact O-N 2.9Å; L27-F46 HydrophobicContact CD2-CD1 3.89Å; L27-F46 HydrophobicContact CD2-CE1 3.97Å; L27-A49 HydrophobicContact CD2-CB 3.98Å; L27-A49 HydrophobicContact CG-CB 4.16Å; L27-Y64 HydrophobicContact CB-CE1 4.39Å; L27-Y64 HydrophobicContact CD1-CD1 3.61Å; L27-Y64 HydrophobicContact CD1-CE1 3.77Å; L27-Y64 HydrophobicContact CD2-CD1 3.98Å; L27-Y64 HydrophobicContact CD2-CE1 3.98Å; L27-Y64 HydrophobicContact CG-CD1 4.36Å; L27-Y64 HydrophobicContact CG-CE1 4.26Å; L27-T65 HydrophobicContact CD2-CG2 4.11Å
28K97.3Very high94.9Very high143 Ų14374.1 Ų74.162%0.62236%0.358SS*.Hα-helixtrans-63.2-43.7174.8-75.3174.7179.6174.80111.8I24 L25 L26 K31 L32I24-K28 HydrophobicContact CG2-CD 4.06Å; I24-K28 WeakPolarHBondContact O-CB 3.5Å; I24-K28 WeakPolarHBondContact O-CG 3.42Å; I24-K28 PolarHBondContact O-N 3.29Å; L25-K28 PolarHBondContact O-N 3.44Å; L26-K28 PolarHBondContact O-N 3.23Å; K28-K31 PolarHBondContact O-N 2.84Å; K28-L32 WeakPolarHBondContact O-CB 3.46Å; K28-L32 PolarHBondContact O-N 3.4Å
29K98.1Very high95.1Very high90 Ų9071.2 Ų71.239%0.39135%0.351SS..Hα-helixtrans-61.9-43.3175.2-75.2175.8178.4174.30111.3L25 L26 L32 S33 F45L25-K29 HydrophobicContact CG-CD 4.41Å; L25-K29 WeakPolarHBondContact O-CG 3.3Å; L25-K29 PolarHBondContact O-N 2.7Å; L26-K29 PolarHBondContact O-N 3.03Å; K29-L32 PolarHBondContact O-N 2.99Å; K29-S33 WeakPolarHBondContact O-CB 3.32Å; K29-S33 PolarHBondContact O-N 3.17Å; K29-S33 PolarHBondContact O-OG 2.97Å; K29-F45 HydrophobicContact CB-CD1 4.14Å; K29-F45 HydrophobicContact CB-CD2 3.74Å; K29-F45 HydrophobicContact CB-CE1 4.21Å; K29-F45 HydrophobicContact CB-CE2 3.81Å; K29-F45 HydrophobicContact CB-CG 3.92Å; K29-F45 HydrophobicContact CB-CZ 4.06Å; K29-F45 HydrophobicContact CD-CD1 4.29Å; K29-F45 HydrophobicContact CD-CE1 3.86Å; K29-F45 HydrophobicContact CD-CZ 4.05Å
30A97.3Very high95.3Very high0 Ų075.1 Ų75.10%037%0.37CS..Hα-helixtrans-59.2-50.2177.100000111.6L26 L27 L32 S33 M34 A42 F45 F46L26-A30 WeakPolarHBondContact O-CB 3.35Å; L26-A30 PolarHBondContact O-N 3.26Å; L27-A30 PolarHBondContact O-N 2.95Å; A30-L32 PolarHBondContact O-N 3.45Å; A30-S33 WeakPolarHBondContact O-CB 3.47Å; A30-S33 PolarHBondContact O-N 2.9Å; A30-M34 WeakPolarHBondContact O-CG 3.37Å; A30-M34 PolarHBondContact O-N 2.99Å; A30-A42 WeakPolarHBondContact O-CB 3.22Å; A30-F45 HydrophobicContact CB-CB 3.67Å; A30-F46 HydrophobicContact CB-CD1 3.6Å; A30-F46 HydrophobicContact CB-CD2 4Å; A30-F46 HydrophobicContact CB-CE1 3.36Å; A30-F46 HydrophobicContact CB-CE2 3.8Å; A30-F46 HydrophobicContact CB-CG 3.9Å; A30-F46 HydrophobicContact CB-CZ 3.47Å; A30-F46 VanDerWaalsContact CB-CZ 3.47Å
31K94.8Very high95.5Very high108 Ų10872 Ų7247%0.4736%0.36SS..Hα-helixtrans-60.2-44.2177.6-171.4172.7-177.6175.90112.1L27 K28 S33 M34 H35L27-K31 PolarHBondContact O-N 2.9Å; K28-K31 PolarHBondContact O-N 2.84Å; K31-S33 VanDerWaalsContact C-N 3.33Å; K31-S33 PolarHBondContact O-N 3.06Å; K31-M34 WeakPolarHBondContact O-CB 3.18Å; K31-M34 PolarHBondContact O-N 3.14Å; K31-H35 PolarHBondContact O-CD2 3.03Å; K31-H35 PolarHBondContact O-N 3.11Å
32L96.1Very high95.7Very high82 Ų8269.1 Ų69.143%0.42934%0.344SS..Hα-helixtrans-62.4-40.2175.9-178.862.4000112.1K28 K29 A30 M34 H35 R36K28-L32 WeakPolarHBondContact O-CB 3.46Å; K28-L32 PolarHBondContact O-N 3.4Å; K29-L32 PolarHBondContact O-N 2.99Å; A30-L32 PolarHBondContact O-N 3.45Å; L32-M34 VanDerWaalsContact C-N 3.34Å; L32-H35 PolarHBondContact O-N 3.46Å; L32-R36 WeakPolarHBondContact O-CG 3.46Å; L32-R36 PolarHBondContact O-N 3.47Å; L32-R36 VanDerWaalsContact O-N 3.09Å
33S96.1Very high95.7Very high16 Ų1666.5 Ų66.511%0.11233%0.333CS..Hα-helixtrans-62.9-39.6175-76.50000112.2K29 A30 K31 R36 G37 N38K29-S33 WeakPolarHBondContact O-CB 3.32Å; K29-S33 PolarHBondContact O-N 3.17Å; K29-S33 PolarHBondContact O-OG 2.97Å; A30-S33 WeakPolarHBondContact O-CB 3.47Å; A30-S33 PolarHBondContact O-N 2.9Å; K31-S33 VanDerWaalsContact C-N 3.33Å; K31-S33 PolarHBondContact O-N 3.06Å; S33-R36 CarbonylContact O-C 3.43Å; S33-R36 PolarHBondContact O-N 2.81Å; S33-G37 PolarHBondContact O-N 3.21Å; S33-N38 PolarHBondContact O-N 2.67Å
34M93.5Very high95.7Very high40 Ų4069.1 Ų69.120%0.19735%0.352CS..Hα-helixtrans-61-47.8172.8-68.1-179.365.200111.7A30 K31 L32 R36 G37 A42 F46 L72 I75A30-M34 WeakPolarHBondContact O-CG 3.37Å; A30-M34 PolarHBondContact O-N 2.99Å; K31-M34 WeakPolarHBondContact O-CB 3.18Å; K31-M34 PolarHBondContact O-N 3.14Å; L32-M34 VanDerWaalsContact C-N 3.34Å; M34-R36 PolarHBondContact O-N 2.89Å; M34-G37 PolarHBondContact O-N 3.31Å; M34-A42 HydrophobicContact CG-CB 3.49Å; M34-A42 VanDerWaalsContact CG-CB 3.49Å; M34-F46 HydrophobicContact SD-CE2 3.8Å; M34-F46 HydrophobicContact SD-CZ 3.98Å; M34-L72 HydrophobicContact CE-CB 4.32Å; M34-L72 HydrophobicContact CE-CD1 4.02Å; M34-L72 HydrophobicContact CG-CD1 4.13Å; M34-L72 HydrophobicContact SD-CB 4.42Å; M34-L72 HydrophobicContact SD-CD1 4.22Å; M34-I75 HydrophobicContact CE-CD1 3.84Å
35H91.7Very high95.8Very high142 Ų14268.3 Ų68.366%0.65735%0.346SS*.Hα-helixtrans-59.9-28.3177.2-74.5-63.6000113.2K31 L32 G37K31-H35 PolarHBondContact O-CD2 3.03Å; K31-H35 PolarHBondContact O-N 3.11Å; L32-H35 PolarHBondContact O-N 3.46Å; H35-G37 VanDerWaalsContact C-N 3.31Å
36R94.3Very high95.9Very high191 Ų19164.5 Ų64.572%0.72133%0.326SS*.THydrogen-bonded Turntrans-86.43.4175.4-69.2176.2174.5177.5-1.6113.7L32 S33 M34 N38L32-R36 WeakPolarHBondContact O-CG 3.46Å; L32-R36 PolarHBondContact O-N 3.47Å; L32-R36 VanDerWaalsContact O-N 3.09Å; S33-R36 CarbonylContact O-C 3.43Å; S33-R36 PolarHBondContact O-N 2.81Å; M34-R36 PolarHBondContact O-N 2.89Å; R36-N38 PolarHBondContact O-N 2.92Å
37G92.2Very high95.8Very high56 Ų5668.4 Ų68.458%0.57734%0.343SS*.THydrogen-bonded Turntrans725.9-175.500000114.6S33 M34 H35 L39S33-G37 PolarHBondContact O-N 3.21Å; M34-G37 PolarHBondContact O-N 3.31Å; H35-G37 VanDerWaalsContact C-N 3.31Å; G37-L39 VanDerWaalsContact C-N 3.33Å; G37-L39 PolarHBondContact O-N 3.37Å; G37-L39 VanDerWaalsContact O-N 3.08Å
38N95.3Very high95.8Very high84 Ų8471.8 Ų71.845%0.44936%0.359SS..  trans-87.774.3178.1-169-15.1000110.7S33 R36 Q40 A41 A42S33-N38 PolarHBondContact O-N 2.67Å; R36-N38 PolarHBondContact O-N 2.92Å; N38-Q40 VanDerWaalsContact C-N 3.3Å; N38-Q40 PolarHBondContact O-N 2.89Å; N38-A41 HydrophobicContact CB-CB 4.26Å; N38-A41 VanDerWaalsContact CG-CB 3.42Å; N38-A41 WeakPolarHBondContact ND2-CB 3.21Å; N38-A41 PolarHBondContact O-N 3.41Å; N38-A41 VanDerWaalsContact OD1-CB 3.3Å; N38-A41 WeakPolarHBondContact OD1-CB 3.43Å; N38-A41 PolarHBondContact OD1-N 3.49Å; N38-A41 VanDerWaalsContact OD1-N 3.08Å; N38-A42 PolarHBondContact O-N 2.94Å; N38-A42 VanDerWaalsContact O-N 3.09Å
39L94.2Very high95.9Very high50 Ų5065 Ų6526%0.26233%0.329SS..Hα-helixtrans-66.1-30.7-174.2-53.6-173.8000113.1G37 A42 S43 L72 Q76G37-L39 VanDerWaalsContact C-N 3.33Å; G37-L39 PolarHBondContact O-N 3.37Å; G37-L39 VanDerWaalsContact O-N 3.08Å; L39-A42 PolarHBondContact O-N 3.46Å; L39-S43 PolarHBondContact O-N 3Å; L39-L72 HydrophobicContact CB-CD1 4.11Å; L39-L72 HydrophobicContact CD2-CD1 3.87Å; L39-L72 HydrophobicContact CG-CD1 4.43Å; L39-Q76 HydrophobicContact CD1-CG 3.75Å
40Q94.3Very high95.8Very high146 Ų14661.3 Ų61.368%0.68231%0.314SS*.Hα-helixtrans-68.8-44176.6-76.1-65.7-400112.1N38 A42 S43 S44N38-Q40 VanDerWaalsContact C-N 3.3Å; N38-Q40 PolarHBondContact O-N 2.89Å; Q40-A42 VanDerWaalsContact C-N 3.3Å; Q40-A42 PolarHBondContact O-N 3.38Å; Q40-S43 PolarHBondContact O-N 2.97Å; Q40-S44 PolarHBondContact O-N 3.25Å
41A96Very high95.8Very high25 Ų2563.2 Ų63.221%0.20733%0.329CS..Hα-helixtrans-62.4-40.7173.800000111.3N38 S43 S44 F45N38-A41 HydrophobicContact CB-CB 4.26Å; N38-A41 VanDerWaalsContact CG-CB 3.42Å; N38-A41 WeakPolarHBondContact ND2-CB 3.21Å; N38-A41 PolarHBondContact O-N 3.41Å; N38-A41 VanDerWaalsContact OD1-CB 3.3Å; N38-A41 WeakPolarHBondContact OD1-CB 3.43Å; N38-A41 PolarHBondContact OD1-N 3.49Å; N38-A41 VanDerWaalsContact OD1-N 3.08Å; A41-S43 PolarHBondContact O-N 3.12Å; A41-S44 PolarHBondContact O-N 3.3Å; A41-F45 HydrophobicContact CB-CE2 4.3Å; A41-F45 WeakPolarHBondContact O-CD2 3.44Å; A41-F45 PolarHBondContact O-N 3.34Å
42A96.9Very high95.9Very high0 Ų059.3 Ų59.30%031%0.314CS..Hα-helixtrans-58.5-48.2175.800000112A30 M34 N38 L39 Q40 S44 F45 F46 L72A30-A42 WeakPolarHBondContact O-CB 3.22Å; M34-A42 HydrophobicContact CG-CB 3.49Å; M34-A42 VanDerWaalsContact CG-CB 3.49Å; N38-A42 PolarHBondContact O-N 2.94Å; N38-A42 VanDerWaalsContact O-N 3.09Å; L39-A42 PolarHBondContact O-N 3.46Å; Q40-A42 VanDerWaalsContact C-N 3.3Å; Q40-A42 PolarHBondContact O-N 3.38Å; A42-S44 VanDerWaalsContact C-N 3.34Å; A42-S44 PolarHBondContact O-N 3.31Å; A42-F45 PolarHBondContact O-N 3.3Å; A42-F46 HydrophobicContact CB-CE2 4.37Å; A42-F46 WeakPolarHBondContact O-CD2 3.38Å; A42-F46 PolarHBondContact O-N 3.29Å; A42-L72 HydrophobicContact CB-CD2 4.13Å
43S95.9Very high95.9Very high30 Ų3055.4 Ų55.421%0.2129%0.293CS..Hα-helixtrans-56.1-47.3176.2-176.40000112L39 Q40 A41 F45 F46 H47L39-S43 PolarHBondContact O-N 3Å; Q40-S43 PolarHBondContact O-N 2.97Å; A41-S43 PolarHBondContact O-N 3.12Å; S43-F45 PolarHBondContact O-N 3.1Å; S43-F46 PolarHBondContact O-N 2.93Å; S43-H47 PolarHBondContact O-CD2 2.76Å; S43-H47 PolarHBondContact O-N 3.16Å
44S97.4Very high95.8Very high59 Ų5958.5 Ų58.541%0.41331%0.306SS..Hα-helixtrans-59.5-44.2177.8-178.10000112.7Q40 A41 A42 H47 Q48Q40-S44 PolarHBondContact O-N 3.25Å; A41-S44 PolarHBondContact O-N 3.3Å; A42-S44 VanDerWaalsContact C-N 3.34Å; A42-S44 PolarHBondContact O-N 3.31Å; S44-H47 PolarHBondContact O-N 2.74Å; S44-Q48 WeakPolarHBondContact O-CG 3.2Å; S44-Q48 PolarHBondContact O-N 2.88Å; S44-Q48 VanDerWaalsContact O-N 3.1Å; S44-Q48 PolarHBondContact O-NE2 2.91Å; S44-Q48 PolarHBondContact OG-NE2 2.78Å
45F98.3Very high95.8Very high48 Ų4863.1 Ų63.121%0.21133%0.327CS..Hα-helixtrans-65.7-38.7177.3-70.4-50.3000112.6L26 K29 A30 A41 A42 S43 Q48 A49L26-F45 HydrophobicContact CD2-CD1 3.9Å; K29-F45 HydrophobicContact CB-CD1 4.14Å; K29-F45 HydrophobicContact CB-CD2 3.74Å; K29-F45 HydrophobicContact CB-CE1 4.21Å; K29-F45 HydrophobicContact CB-CE2 3.81Å; K29-F45 HydrophobicContact CB-CG 3.92Å; K29-F45 HydrophobicContact CB-CZ 4.06Å; K29-F45 HydrophobicContact CD-CD1 4.29Å; K29-F45 HydrophobicContact CD-CE1 3.86Å; K29-F45 HydrophobicContact CD-CZ 4.05Å; A30-F45 HydrophobicContact CB-CB 3.67Å; A41-F45 HydrophobicContact CB-CE2 4.3Å; A41-F45 WeakPolarHBondContact O-CD2 3.44Å; A41-F45 PolarHBondContact O-N 3.34Å; A42-F45 PolarHBondContact O-N 3.3Å; S43-F45 PolarHBondContact O-N 3.1Å; F45-Q48 PolarHBondContact O-N 3.39Å; F45-A49 WeakPolarHBondContact O-CB 3.34Å; F45-A49 PolarHBondContact O-N 3.11Å
46F98.1Very high95.9Very high2 Ų258.5 Ų58.51%0.00931%0.309CS..Hα-helixtrans-65.2-41.1174.9-71-51.3000112.7L27 A30 M34 A42 S43 Q48 A49 V50 T65 Q68 M69 L72L27-F46 HydrophobicContact CD2-CD1 3.89Å; L27-F46 HydrophobicContact CD2-CE1 3.97Å; A30-F46 HydrophobicContact CB-CD1 3.6Å; A30-F46 HydrophobicContact CB-CD2 4Å; A30-F46 HydrophobicContact CB-CE1 3.36Å; A30-F46 HydrophobicContact CB-CE2 3.8Å; A30-F46 HydrophobicContact CB-CG 3.9Å; A30-F46 HydrophobicContact CB-CZ 3.47Å; A30-F46 VanDerWaalsContact CB-CZ 3.47Å; M34-F46 HydrophobicContact SD-CE2 3.8Å; M34-F46 HydrophobicContact SD-CZ 3.98Å; A42-F46 HydrophobicContact CB-CE2 4.37Å; A42-F46 WeakPolarHBondContact O-CD2 3.38Å; A42-F46 PolarHBondContact O-N 3.29Å; S43-F46 PolarHBondContact O-N 2.93Å; F46-Q48 VanDerWaalsContact C-N 3.3Å; F46-Q48 PolarHBondContact O-N 2.93Å; F46-A49 PolarHBondContact O-N 3.09Å; F46-A49 VanDerWaalsContact O-N 3.17Å; F46-V50 PolarHBondContact O-N 3.49Å; F46-T65 HydrophobicContact CB-CG2 4.28Å; F46-T65 HydrophobicContact CD1-CG2 4.21Å; F46-T65 WeakPolarHBondContact O-CG2 3.05Å; F46-Q68 HydrophobicContact CD1-CB 4.11Å; F46-Q68 HydrophobicContact CE1-CB 3.42Å; F46-Q68 VanDerWaalsContact CE1-CB 3.42Å; F46-Q68 HydrophobicContact CE1-CG 4.09Å; F46-Q68 HydrophobicContact CE2-CB 4.37Å; F46-Q68 HydrophobicContact CZ-CB 3.58Å; F46-Q68 HydrophobicContact CZ-CG 4.41Å; F46-M69 HydrophobicContact CB-CG 3.44Å; F46-M69 VanDerWaalsContact CB-CG 3.44Å; F46-M69 HydrophobicContact CB-SD 4.07Å; F46-M69 HydrophobicContact CD2-CG 4.23Å; F46-M69 HydrophobicContact CG-CG 3.88Å; F46-L72 HydrophobicContact CD2-CD2 3.91Å; F46-L72 HydrophobicContact CE2-CB 4.37Å; F46-L72 HydrophobicContact CE2-CD2 4.05Å
47H97.4Very high95.8Very high105 Ų10556.9 Ų56.949%0.48631%0.309SS..Hα-helixtrans-61.3-38.5175.3-81.3-64.1000112.5S43 S44 V50 A51 M69S43-H47 PolarHBondContact O-CD2 2.76Å; S43-H47 PolarHBondContact O-N 3.16Å; S44-H47 PolarHBondContact O-N 2.74Å; H47-V50 WeakPolarHBondContact O-CG1 3.45Å; H47-A51 WeakPolarHBondContact O-CB 3.46Å; H47-A51 PolarHBondContact O-N 3.11Å; H47-M69 WeakPolarHBondContact CE1-CE 3.42Å
48Q97.8Very high95.8Very high91 Ų9155.9 Ų55.943%0.42529%0.291SS..Hα-helixtrans-66.3-43.2173.1-68.9170.150.200111.5L26 S44 F45 F46 A51 L52L26-Q48 HydrophobicContact CD1-CB 3.88Å; L26-Q48 HydrophobicContact CD2-CB 4Å; S44-Q48 WeakPolarHBondContact O-CG 3.2Å; S44-Q48 PolarHBondContact O-N 2.88Å; S44-Q48 VanDerWaalsContact O-N 3.1Å; S44-Q48 PolarHBondContact O-NE2 2.91Å; S44-Q48 PolarHBondContact OG-NE2 2.78Å; F45-Q48 PolarHBondContact O-N 3.39Å; F46-Q48 VanDerWaalsContact C-N 3.3Å; F46-Q48 PolarHBondContact O-N 2.93Å; Q48-A51 PolarHBondContact O-N 3.47Å; Q48-L52 PolarHBondContact O-N 3.42Å; Q48-L52 VanDerWaalsContact O-N 3.09Å
49A97.9Very high95.7Very high0 Ų057.7 Ų57.70%030%0.295CS..Hα-helixtrans-62.7-45.5-179.900000112.1L26 L27 F45 F46 L52 A53 T65L26-A49 HydrophobicContact CB-CB 3.88Å; L26-A49 HydrophobicContact CD1-CB 4.38Å; L27-A49 HydrophobicContact CD2-CB 3.98Å; L27-A49 HydrophobicContact CG-CB 4.16Å; F45-A49 WeakPolarHBondContact O-CB 3.34Å; F45-A49 PolarHBondContact O-N 3.11Å; F46-A49 PolarHBondContact O-N 3.09Å; F46-A49 VanDerWaalsContact O-N 3.17Å; A49-L52 PolarHBondContact O-N 3.49Å; A49-A53 VanDerWaalsContact O-CB 3.32Å; A49-A53 WeakPolarHBondContact O-CB 3.49Å; A49-A53 PolarHBondContact O-N 3.19Å; A49-T65 HydrophobicContact CB-CG2 4.02Å
50V97.1Very high95.6Very high12 Ų1262.8 Ų62.87%0.07332%0.317CS..Hα-helixtrans-68.6-37.4-179.672.40000111.6F46 H47 L52 A53 Q54 T65 Y66 M69F46-V50 PolarHBondContact O-N 3.49Å; H47-V50 WeakPolarHBondContact O-CG1 3.45Å; V50-L52 VanDerWaalsContact C-N 3.33Å; V50-L52 PolarHBondContact O-N 2.89Å; V50-A53 PolarHBondContact O-N 2.72Å; V50-Q54 HydrophobicContact CG2-CG 4.45Å; V50-Q54 WeakPolarHBondContact O-CB 3.38Å; V50-Q54 VanDerWaalsContact O-CG 3.25Å; V50-Q54 WeakPolarHBondContact O-CG 3.42Å; V50-Q54 PolarHBondContact O-N 3.15Å; V50-T65 HydrophobicContact CB-CG2 3.75Å; V50-Y66 HydrophobicContact CG2-CD1 4.49Å; V50-Y66 HydrophobicContact CG2-CE1 4.06Å; V50-Y66 HydrophobicContact CG2-CE2 4.39Å; V50-M69 HydrophobicContact CG1-SD 4.29Å
51A96.8Very high95.6Very high40 Ų4056.4 Ų56.433%0.33129%0.289SS..Hα-helixtrans-61.4-44175.600000111.1H47 Q48 Q54 Q55H47-A51 WeakPolarHBondContact O-CB 3.46Å; H47-A51 PolarHBondContact O-N 3.11Å; Q48-A51 PolarHBondContact O-N 3.47Å; A51-Q54 PolarHBondContact O-N 3.4Å; A51-Q55 VanDerWaalsContact O-CG 3.29Å; A51-Q55 WeakPolarHBondContact O-CG 3.42Å; A51-Q55 PolarHBondContact O-N 3.29Å; A51-Q55 VanDerWaalsContact O-N 3.09Å
52L96.1Very high95.7Very high27 Ų2755.5 Ų55.514%0.14128%0.281CS..Hα-helixtrans-68.8-40.8177.4-172.657000112K19 D22 I23 L26 Q48 A49 V50 Q54 Q55 T56K19-L52 HydrophobicContact CB-CD1 4.28Å; K19-L52 HydrophobicContact CD-CD1 4.27Å; K19-L52 HydrophobicContact CG-CD1 4.14Å; D22-L52 HydrophobicContact CB-CD2 3.63Å; I23-L52 HydrophobicContact CD1-CB 4.49Å; I23-L52 HydrophobicContact CD1-CG 4.11Å; I23-L52 HydrophobicContact CG1-CB 3.92Å; I23-L52 HydrophobicContact CG1-CD2 3.69Å; I23-L52 HydrophobicContact CG1-CG 3.66Å; L26-L52 HydrophobicContact CD1-CD2 4.49Å; Q48-L52 PolarHBondContact O-N 3.42Å; Q48-L52 VanDerWaalsContact O-N 3.09Å; A49-L52 PolarHBondContact O-N 3.49Å; V50-L52 VanDerWaalsContact C-N 3.33Å; V50-L52 PolarHBondContact O-N 2.89Å; L52-Q54 VanDerWaalsContact C-N 3.31Å; L52-Q54 PolarHBondContact O-N 2.95Å; L52-Q55 WeakPolarHBondContact O-CB 3.43Å; L52-Q55 PolarHBondContact O-N 3.5Å; L52-T56 PolarHBondContact O-N 3.42Å; L52-T56 PolarHBondContact O-OG1 3.23Å
53A95.8Very high95.6Very high0 Ų057.2 Ų57.20%029%0.29CS..Hα-helixtrans-62.9-36.117600000112.8I23 A49 V50 T56 H57 N58 A61 I62I23-A53 HydrophobicContact CD1-CB 3.98Å; A49-A53 VanDerWaalsContact O-CB 3.32Å; A49-A53 WeakPolarHBondContact O-CB 3.49Å; A49-A53 PolarHBondContact O-N 3.19Å; V50-A53 PolarHBondContact O-N 2.72Å; A53-T56 PolarHBondContact O-OG1 2.9Å; A53-H57 PolarHBondContact O-N 2.9Å; A53-H57 VanDerWaalsContact O-N 3.1Å; A53-N58 PolarHBondContact O-N 3.16Å; A53-A61 HydrophobicContact CB-CB 3.7Å; A53-I62 HydrophobicContact CB-CG1 3.75Å
54Q94.4Very high95.6Very high80 Ų8060.8 Ų60.837%0.37430%0.299SS..Hα-helixtrans-67.6-41.5173.2-74.8174.2-16.200112V50 A51 L52 T56 H57 I62 Y66V50-Q54 HydrophobicContact CG2-CG 4.45Å; V50-Q54 WeakPolarHBondContact O-CB 3.38Å; V50-Q54 VanDerWaalsContact O-CG 3.25Å; V50-Q54 WeakPolarHBondContact O-CG 3.42Å; V50-Q54 PolarHBondContact O-N 3.15Å; A51-Q54 PolarHBondContact O-N 3.4Å; L52-Q54 VanDerWaalsContact C-N 3.31Å; L52-Q54 PolarHBondContact O-N 2.95Å; Q54-T56 VanDerWaalsContact C-N 3.3Å; Q54-T56 PolarHBondContact O-N 2.85Å; Q54-H57 PolarHBondContact O-N 3.47Å; Q54-H57 PolarHBondContact O-ND1 3.44Å; Q54-I62 HydrophobicContact CG-CD1 4.05Å; Q54-I62 HydrophobicContact CG-CG1 4.19Å; Q54-Y66 PolarHBondContact NE2-OH 3.42Å
55Q93.9Very high95.6Very high137 Ų13758 Ų5864%0.6428%0.28SS*.Hα-helixtrans-63.6-34.6176.7-73171.611.900112.8A51 L52 H57A51-Q55 VanDerWaalsContact O-CG 3.29Å; A51-Q55 WeakPolarHBondContact O-CG 3.42Å; A51-Q55 PolarHBondContact O-N 3.29Å; A51-Q55 VanDerWaalsContact O-N 3.09Å; L52-Q55 WeakPolarHBondContact O-CB 3.43Å; L52-Q55 PolarHBondContact O-N 3.5Å; Q55-H57 VanDerWaalsContact C-N 3.34Å
56T93.2Very high95.6Very high46 Ų4657.5 Ų57.528%0.28228%0.277SS..THydrogen-bonded Turntrans-89.3-0.5177.357.50000113.5K19 L52 A53 Q54 N58K19-T56 HydrophobicContact CB-CG2 3.64Å; K19-T56 HydrophobicContact CD-CG2 3.55Å; K19-T56 HydrophobicContact CG-CG2 4.2Å; L52-T56 PolarHBondContact O-N 3.42Å; L52-T56 PolarHBondContact O-OG1 3.23Å; A53-T56 PolarHBondContact O-OG1 2.9Å; Q54-T56 VanDerWaalsContact C-N 3.3Å; Q54-T56 PolarHBondContact O-N 2.85Å; T56-N58 PolarHBondContact O-N 3.29Å; T56-N58 VanDerWaalsContact O-N 3.12Å
57H91.9Very high95.6Very high157 Ų15758 Ų5873%0.72728%0.28SS*.THydrogen-bonded Turntrans52.328.1-172.9-55.6-66000113.6A53 Q54 Q55 K59A53-H57 PolarHBondContact O-N 2.9Å; A53-H57 VanDerWaalsContact O-N 3.1Å; Q54-H57 PolarHBondContact O-N 3.47Å; Q54-H57 PolarHBondContact O-ND1 3.44Å; Q55-H57 VanDerWaalsContact C-N 3.34Å; H57-K59 PolarHBondContact O-N 2.93Å
58N92.7Very high95.5Very high35 Ų3554.8 Ų54.819%0.18727%0.266CS..  trans-77.990.6178.9-174-30000109.7A53 T56 Q60 A61 I62A53-N58 PolarHBondContact O-N 3.16Å; T56-N58 PolarHBondContact O-N 3.29Å; T56-N58 VanDerWaalsContact O-N 3.12Å; N58-Q60 VanDerWaalsContact C-N 3.29Å; N58-Q60 PolarHBondContact O-N 3.16Å; N58-Q60 PolarHBondContact OD1-N 3.05Å; N58-A61 HydrophobicContact CB-CB 3.97Å; N58-A61 PolarHBondContact O-N 2.94Å; N58-A61 WeakPolarHBondContact OD1-CB 3.37Å; N58-A61 PolarHBondContact OD1-N 3.37Å; N58-I62 VanDerWaalsContact O-CG1 3.3Å; N58-I62 WeakPolarHBondContact O-CG1 3.35Å; N58-I62 PolarHBondContact O-N 3.18Å
59K92.8Very high95.5Very high121 Ų12151.4 Ų51.453%0.52625%0.25SC..Hα-helixtrans-56.4-40.3-177.4-67.1-175.3-178.5-178.50112.8H57 I62 I63H57-K59 PolarHBondContact O-N 2.93Å; K59-I62 PolarHBondContact O-N 3.04Å; K59-I63 WeakPolarHBondContact O-CD1 3.48Å; K59-I63 VanDerWaalsContact O-CG1 3.29Å; K59-I63 WeakPolarHBondContact O-CG1 3.45Å; K59-I63 PolarHBondContact O-N 3.17Å
60Q92.9Very high95.5Very high157 Ų15751.4 Ų51.473%0.73425%0.25SC*.Hα-helixtrans-65.6-44.2-179.2-1721755.400111.1N58 I62 I63 Y64N58-Q60 VanDerWaalsContact C-N 3.29Å; N58-Q60 PolarHBondContact O-N 3.16Å; N58-Q60 PolarHBondContact OD1-N 3.05Å; Q60-I62 VanDerWaalsContact C-N 3.34Å; Q60-I62 PolarHBondContact O-N 3.42Å; Q60-I63 PolarHBondContact O-N 2.96Å; Q60-Y64 WeakPolarHBondContact O-CB 3.42Å; Q60-Y64 PolarHBondContact O-N 3.48Å
61A95.2Very high95.5Very high12 Ų1253 Ų5310%0.09926%0.258CS..Hα-helixtrans-64-38174.200000112.4I23 A53 N58 T65I23-A61 HydrophobicContact CD1-CB 4.4Å; I23-A61 HydrophobicContact CG2-CB 3.96Å; A53-A61 HydrophobicContact CB-CB 3.7Å; N58-A61 HydrophobicContact CB-CB 3.97Å; N58-A61 PolarHBondContact O-N 2.94Å; N58-A61 WeakPolarHBondContact OD1-CB 3.37Å; N58-A61 PolarHBondContact OD1-N 3.37Å; A61-T65 VanDerWaalsContact O-CB 3.26Å; A61-T65 WeakPolarHBondContact O-CB 3.36Å; A61-T65 PolarHBondContact O-N 3.16Å; A61-T65 PolarHBondContact O-OG1 3.28Å
62I96.2Very high95.4Very high6 Ų651.3 Ų51.33%0.03124%0.243CC..Hα-helixtrans-61.4-51.9175.4-67.6167000110.5A53 Q54 N58 K59 Q60 Y64 T65 Y66 Y92A53-I62 HydrophobicContact CB-CG1 3.75Å; Q54-I62 HydrophobicContact CG-CD1 4.05Å; Q54-I62 HydrophobicContact CG-CG1 4.19Å; N58-I62 VanDerWaalsContact O-CG1 3.3Å; N58-I62 WeakPolarHBondContact O-CG1 3.35Å; N58-I62 PolarHBondContact O-N 3.18Å; K59-I62 PolarHBondContact O-N 3.04Å; Q60-I62 VanDerWaalsContact C-N 3.34Å; Q60-I62 PolarHBondContact O-N 3.42Å; I62-Y64 PolarHBondContact O-N 3.16Å; I62-T65 PolarHBondContact O-N 3.03Å; I62-Y66 HydrophobicContact CG2-CD2 3.59Å; I62-Y66 HydrophobicContact CG2-CE2 3.42Å; I62-Y66 VanDerWaalsContact CG2-CE2 3.42Å; I62-Y66 WeakPolarHBondContact O-CD2 3.4Å; I62-Y66 PolarHBondContact O-N 3.09Å; I62-Y92 HydrophobicContact CD1-CE1 4.24Å; I62-Y92 HydrophobicContact CG2-CD1 4.16Å; I62-Y92 HydrophobicContact CG2-CD2 4Å; I62-Y92 HydrophobicContact CG2-CE1 3.99Å; I62-Y92 HydrophobicContact CG2-CE2 3.85Å; I62-Y92 HydrophobicContact CG2-CG 4.16Å
63I96.4Very high95.5Very high36 Ų3650.4 Ų50.419%0.18524%0.24CC..Hα-helixtrans-57.5-53179.3-67.4159000109.7K59 Q60 T65 Y66 S67 A89 M93K59-I63 WeakPolarHBondContact O-CD1 3.48Å; K59-I63 VanDerWaalsContact O-CG1 3.29Å; K59-I63 WeakPolarHBondContact O-CG1 3.45Å; K59-I63 PolarHBondContact O-N 3.17Å; Q60-I63 PolarHBondContact O-N 2.96Å; I63-T65 VanDerWaalsContact C-N 3.34Å; I63-T65 PolarHBondContact O-N 3.27Å; I63-Y66 PolarHBondContact O-N 2.87Å; I63-S67 PolarHBondContact O-N 2.89Å; I63-S67 PolarHBondContact O-OG 2.98Å; I63-S67 VanDerWaalsContact O-OG 3.11Å; I63-A89 HydrophobicContact CG2-CB 4.46Å; I63-M93 HydrophobicContact CD1-CG 3.7Å; I63-M93 HydrophobicContact CG1-CG 4.05Å; I63-M93 HydrophobicContact CG2-CG 3.81Å; I63-M93 HydrophobicContact CG2-SD 3.98Å
64Y96.1Very high95.5Very high105 Ų10554 Ų5441%0.41225%0.254SS..Hα-helixtrans-58.2-46.5-179.5-178.6-95.7000111.7L27 Q60 I62 Y66 S67 Q68L27-Y64 HydrophobicContact CB-CE1 4.39Å; L27-Y64 HydrophobicContact CD1-CD1 3.61Å; L27-Y64 HydrophobicContact CD1-CE1 3.77Å; L27-Y64 HydrophobicContact CD2-CD1 3.98Å; L27-Y64 HydrophobicContact CD2-CE1 3.98Å; L27-Y64 HydrophobicContact CG-CD1 4.36Å; L27-Y64 HydrophobicContact CG-CE1 4.26Å; Q60-Y64 WeakPolarHBondContact O-CB 3.42Å; Q60-Y64 PolarHBondContact O-N 3.48Å; I62-Y64 PolarHBondContact O-N 3.16Å; Y64-Y66 PolarHBondContact O-N 3.2Å; Y64-S67 PolarHBondContact O-N 3.26Å; Y64-Q68 HydrophobicContact CD1-CG 3.99Å; Y64-Q68 HydrophobicContact CE1-CG 3.58Å; Y64-Q68 HydrophobicContact CE2-CG 4.25Å; Y64-Q68 HydrophobicContact CG-CG 4.5Å; Y64-Q68 WeakPolarHBondContact O-CG 3.39Å; Y64-Q68 PolarHBondContact O-N 3.03Å
65T97.2Very high95.4Very high0 Ų055.4 Ų55.40%026%0.263CS..Hα-helixtrans-63.8-42.8-179.2-51.20000111.4L27 F46 A49 V50 A61 I62 I63 Q68 M69L27-T65 HydrophobicContact CD2-CG2 4.11Å; F46-T65 HydrophobicContact CB-CG2 4.28Å; F46-T65 HydrophobicContact CD1-CG2 4.21Å; F46-T65 WeakPolarHBondContact O-CG2 3.05Å; A49-T65 HydrophobicContact CB-CG2 4.02Å; V50-T65 HydrophobicContact CB-CG2 3.75Å; A61-T65 VanDerWaalsContact O-CB 3.26Å; A61-T65 WeakPolarHBondContact O-CB 3.36Å; A61-T65 PolarHBondContact O-N 3.16Å; A61-T65 PolarHBondContact O-OG1 3.28Å; I62-T65 PolarHBondContact O-N 3.03Å; I63-T65 VanDerWaalsContact C-N 3.34Å; I63-T65 PolarHBondContact O-N 3.27Å; T65-Q68 PolarHBondContact O-N 2.95Å; T65-M69 HydrophobicContact CG2-CG 4.41Å; T65-M69 HydrophobicContact CG2-SD 4.12Å; T65-M69 VanDerWaalsContact O-CG 3.26Å; T65-M69 WeakPolarHBondContact O-CG 3.4Å; T65-M69 PolarHBondContact O-N 3.42Å
66Y98.1Very high95.4Very high38 Ų3851.8 Ų51.815%0.14925%0.246CC..Hα-helixtrans-61.7-44.3175.1-79.9-46000112.5V50 Q54 I62 I63 Y64 Q68 M69 A70 L85 A88 Y92V50-Y66 HydrophobicContact CG2-CD1 4.49Å; V50-Y66 HydrophobicContact CG2-CE1 4.06Å; V50-Y66 HydrophobicContact CG2-CE2 4.39Å; Q54-Y66 PolarHBondContact NE2-OH 3.42Å; I62-Y66 HydrophobicContact CG2-CD2 3.59Å; I62-Y66 HydrophobicContact CG2-CE2 3.42Å; I62-Y66 VanDerWaalsContact CG2-CE2 3.42Å; I62-Y66 WeakPolarHBondContact O-CD2 3.4Å; I62-Y66 PolarHBondContact O-N 3.09Å; I63-Y66 PolarHBondContact O-N 2.87Å; Y64-Y66 PolarHBondContact O-N 3.2Å; Y66-Q68 VanDerWaalsContact C-N 3.31Å; Y66-Q68 PolarHBondContact O-N 3.44Å; Y66-M69 HydrophobicContact CD1-SD 4.4Å; Y66-M69 PolarHBondContact O-N 3.19Å; Y66-A70 WeakPolarHBondContact O-CB 3.26Å; Y66-A70 PolarHBondContact O-N 3.46Å; Y66-L85 HydrophobicContact CD1-CD2 3.64Å; Y66-L85 HydrophobicContact CE1-CD2 4.1Å; Y66-A88 HydrophobicContact CD2-CB 4.33Å; Y66-A88 HydrophobicContact CE2-CB 4.42Å; Y66-A88 HydrophobicContact CG-CB 4.5Å; Y66-Y92 HydrophobicContact CD2-CD2 4.27Å; Y66-Y92 HydrophobicContact CD2-CE2 4.35Å; Y66-Y92 HydrophobicContact CE2-CD2 4.03Å; Y66-Y92 AromaticContact CE2-CE2 3.65Å; Y66-Y92 HydrophobicContact CE2-CE2 3.65Å
67S96.8Very high95.4Very high12 Ų1252 Ų528%0.08426%0.258CS..Hα-helixtrans-61.5-39.2176.4-56.10000111.9I63 Y64 A70 N71 M108I63-S67 PolarHBondContact O-N 2.89Å; I63-S67 PolarHBondContact O-OG 2.98Å; I63-S67 VanDerWaalsContact O-OG 3.11Å; Y64-S67 PolarHBondContact O-N 3.26Å; S67-A70 WeakPolarHBondContact O-CB 3.31Å; S67-A70 PolarHBondContact O-N 3.47Å; S67-N71 PolarHBondContact O-N 2.96Å; S67-N71 PolarHBondContact O-ND2 3.33Å; S67-M108 PolarHBondContact OG-SD 3.45Å
68Q97Very high95.7Very high39 Ų3949.4 Ų49.418%0.18225%0.246CC..Hα-helixtrans-68.9-40.2175.6-64.2-50.8-63.600112.8F46 Y64 T65 Y66 A70 N71 L72F46-Q68 HydrophobicContact CD1-CB 4.11Å; F46-Q68 HydrophobicContact CE1-CB 3.42Å; F46-Q68 VanDerWaalsContact CE1-CB 3.42Å; F46-Q68 HydrophobicContact CE1-CG 4.09Å; F46-Q68 HydrophobicContact CE2-CB 4.37Å; F46-Q68 HydrophobicContact CZ-CB 3.58Å; F46-Q68 HydrophobicContact CZ-CG 4.41Å; Y64-Q68 HydrophobicContact CD1-CG 3.99Å; Y64-Q68 HydrophobicContact CE1-CG 3.58Å; Y64-Q68 HydrophobicContact CE2-CG 4.25Å; Y64-Q68 HydrophobicContact CG-CG 4.5Å; Y64-Q68 WeakPolarHBondContact O-CG 3.39Å; Y64-Q68 PolarHBondContact O-N 3.03Å; T65-Q68 PolarHBondContact O-N 2.95Å; Y66-Q68 VanDerWaalsContact C-N 3.31Å; Y66-Q68 PolarHBondContact O-N 3.44Å; Q68-A70 VanDerWaalsContact C-N 3.28Å; Q68-A70 PolarHBondContact O-N 2.95Å; Q68-N71 PolarHBondContact O-N 3.23Å; Q68-L72 PolarHBondContact O-N 3.47Å
69M98Very high95.9Very high19 Ų1949.3 Ų49.39%0.09425%0.245CC..Hα-helixtrans-62.4-38.3173-69.9172.871.600111.4F46 H47 V50 T65 Y66 L72 A73 L85F46-M69 HydrophobicContact CB-CG 3.44Å; F46-M69 VanDerWaalsContact CB-CG 3.44Å; F46-M69 HydrophobicContact CB-SD 4.07Å; F46-M69 HydrophobicContact CD2-CG 4.23Å; F46-M69 HydrophobicContact CG-CG 3.88Å; H47-M69 WeakPolarHBondContact CE1-CE 3.42Å; V50-M69 HydrophobicContact CG1-SD 4.29Å; T65-M69 HydrophobicContact CG2-CG 4.41Å; T65-M69 HydrophobicContact CG2-SD 4.12Å; T65-M69 VanDerWaalsContact O-CG 3.26Å; T65-M69 WeakPolarHBondContact O-CG 3.4Å; T65-M69 PolarHBondContact O-N 3.42Å; Y66-M69 HydrophobicContact CD1-SD 4.4Å; Y66-M69 PolarHBondContact O-N 3.19Å; M69-L72 PolarHBondContact O-N 3.39Å; M69-A73 WeakPolarHBondContact O-CB 3.29Å; M69-A73 PolarHBondContact O-N 2.91Å; M69-L85 HydrophobicContact CB-CD1 3.85Å; M69-L85 HydrophobicContact CB-CD2 4.19Å; M69-L85 HydrophobicContact CE-CD2 4.23Å
70A97.8Very high96.2Very high0 Ų048.3 Ų48.30%025%0.245CC..Hα-helixtrans-64.3-45.4177.100000111.3Y66 S67 Q68 L72 A73 Y74 A82 L85 F86Y66-A70 WeakPolarHBondContact O-CB 3.26Å; Y66-A70 PolarHBondContact O-N 3.46Å; S67-A70 WeakPolarHBondContact O-CB 3.31Å; S67-A70 PolarHBondContact O-N 3.47Å; Q68-A70 VanDerWaalsContact C-N 3.28Å; Q68-A70 PolarHBondContact O-N 2.95Å; A70-L72 VanDerWaalsContact C-N 3.34Å; A70-L72 PolarHBondContact O-N 3.49Å; A70-A73 PolarHBondContact O-N 2.96Å; A70-Y74 WeakPolarHBondContact O-CB 3.45Å; A70-Y74 PolarHBondContact O-N 2.97Å; A70-A82 WeakPolarHBondContact O-CB 3.36Å; A70-L85 HydrophobicContact CB-CB 3.58Å; A70-F86 HydrophobicContact CB-CD1 3.83Å; A70-F86 HydrophobicContact CB-CD2 3.48Å; A70-F86 VanDerWaalsContact CB-CD2 3.48Å; A70-F86 HydrophobicContact CB-CE1 3.83Å; A70-F86 HydrophobicContact CB-CE2 3.47Å; A70-F86 VanDerWaalsContact CB-CE2 3.47Å; A70-F86 HydrophobicContact CB-CG 3.66Å; A70-F86 HydrophobicContact CB-CZ 3.66Å
71N95.6Very high96.4Very high45 Ų4543.5 Ų43.524%0.24123%0.229CC..Hα-helixtrans-58.6-43.6173.3-73.1-30.4000112.1S67 Q68 Y74 I75 F86S67-N71 PolarHBondContact O-N 2.96Å; S67-N71 PolarHBondContact O-ND2 3.33Å; Q68-N71 PolarHBondContact O-N 3.23Å; N71-Y74 PolarHBondContact O-N 3.43Å; N71-I75 WeakPolarHBondContact O-CG1 3.48Å; N71-I75 PolarHBondContact O-N 3.45Å; N71-F86 WeakPolarHBondContact OD1-CZ 3.41Å
72L96.2Very high96.5Very high5 Ų543 Ų433%0.02623%0.225CC..Hα-helixtrans-62.1-46176.4177.762.6000111.6M34 L39 A42 F46 Q68 M69 A70 Y74 I75 Q76M34-L72 HydrophobicContact CE-CB 4.32Å; M34-L72 HydrophobicContact CE-CD1 4.02Å; M34-L72 HydrophobicContact CG-CD1 4.13Å; M34-L72 HydrophobicContact SD-CB 4.42Å; M34-L72 HydrophobicContact SD-CD1 4.22Å; L39-L72 HydrophobicContact CB-CD1 4.11Å; L39-L72 HydrophobicContact CD2-CD1 3.87Å; L39-L72 HydrophobicContact CG-CD1 4.43Å; A42-L72 HydrophobicContact CB-CD2 4.13Å; F46-L72 HydrophobicContact CD2-CD2 3.91Å; F46-L72 HydrophobicContact CE2-CB 4.37Å; F46-L72 HydrophobicContact CE2-CD2 4.05Å; Q68-L72 PolarHBondContact O-N 3.47Å; M69-L72 PolarHBondContact O-N 3.39Å; A70-L72 VanDerWaalsContact C-N 3.34Å; A70-L72 PolarHBondContact O-N 3.49Å; L72-Y74 VanDerWaalsContact C-N 3.31Å; L72-Y74 PolarHBondContact O-N 3.23Å; L72-I75 PolarHBondContact O-N 3.44Å; L72-Q76 VanDerWaalsContact O-CG 3.31Å; L72-Q76 WeakPolarHBondContact O-CG 3.32Å; L72-Q76 PolarHBondContact O-N 3.23Å; L72-Q76 VanDerWaalsContact O-N 3.15Å
73A97.3Very high96.6Very high8 Ų843.8 Ų43.87%0.06623%0.228CC..Hα-helixtrans-61.7-41177.300000111.6M69 A70 Q76 G77 H78 A82 L85M69-A73 WeakPolarHBondContact O-CB 3.29Å; M69-A73 PolarHBondContact O-N 2.91Å; A70-A73 PolarHBondContact O-N 2.96Å; A73-Q76 PolarHBondContact O-N 3.14Å; A73-G77 PolarHBondContact O-N 3.02Å; A73-H78 HydrophobicContact CB-CB 4.23Å; A73-H78 WeakPolarHBondContact O-CA 3.41Å; A73-H78 WeakPolarHBondContact O-CB 3.37Å; A73-H78 PolarHBondContact O-N 3.45Å; A73-A82 HydrophobicContact CB-CB 4.05Å; A73-L85 HydrophobicContact CB-CD1 4.3Å
74Y95.8Very high96.7Very high75 Ų7549 Ų4929%0.29425%0.25SC..Hα-helixtrans-62.6-47.9177.2178.4-99.5000112.1A70 N71 L72 Q76 G77 L79 I115 E118A70-Y74 WeakPolarHBondContact O-CB 3.45Å; A70-Y74 PolarHBondContact O-N 2.97Å; N71-Y74 PolarHBondContact O-N 3.43Å; L72-Y74 VanDerWaalsContact C-N 3.31Å; L72-Y74 PolarHBondContact O-N 3.23Å; Y74-Q76 PolarHBondContact O-N 2.96Å; Y74-G77 PolarHBondContact O-N 3.1Å; Y74-L79 HydrophobicContact CD2-CD2 3.78Å; Y74-L79 HydrophobicContact CE2-CD2 4.06Å; Y74-I115 HydrophobicContact CD2-CD1 4.41Å; Y74-I115 HydrophobicContact CD2-CG1 3.8Å; Y74-I115 HydrophobicContact CE2-CG1 4.02Å; Y74-E118 WeakPolarHBondContact CE2-OE1 3.42Å; Y74-E118 WeakPolarHBondContact CE2-OE2 3.32Å; Y74-E118 VanDerWaalsContact CZ-OE1 3.26Å; Y74-E118 PolarHBondContact OH-OE1 3.29Å
75I91.6Very high96.8Very high111 Ų11145.4 Ų45.457%0.56924%0.238SC*.Hα-helixtrans-60.9-29176.4-68.3164.9000112M34 N71 L72 G77M34-I75 HydrophobicContact CE-CD1 3.84Å; N71-I75 WeakPolarHBondContact O-CG1 3.48Å; N71-I75 PolarHBondContact O-N 3.45Å; L72-I75 PolarHBondContact O-N 3.44Å; I75-G77 VanDerWaalsContact C-N 3.27Å; I75-G77 PolarHBondContact O-N 2.85Å
76Q93.8Very high96.9Very high61 Ų6145.6 Ų45.629%0.28524%0.238SC..THydrogen-bonded Turntrans-81-2.6174.9-69.5176.5-2800113.8L39 L72 A73 Y74 H78L39-Q76 HydrophobicContact CD1-CG 3.75Å; L72-Q76 VanDerWaalsContact O-CG 3.31Å; L72-Q76 WeakPolarHBondContact O-CG 3.32Å; L72-Q76 PolarHBondContact O-N 3.23Å; L72-Q76 VanDerWaalsContact O-N 3.15Å; A73-Q76 PolarHBondContact O-N 3.14Å; Y74-Q76 PolarHBondContact O-N 2.96Å; Q76-H78 VanDerWaalsContact C-N 3.25Å; Q76-H78 WeakPolarHBondContact CB-ND1 3.39Å; Q76-H78 PolarHBondContact O-N 3.39Å; Q76-H78 PolarHBondContact OE1-ND1 2.9Å; Q76-H78 VanDerWaalsContact OE1-ND1 3.13Å
77G95Very high96.9Very high51 Ų5147.6 Ų47.653%0.52625%0.248SC..THydrogen-bonded Turntrans75.19.6-173.700000114.1A73 Y74 I75 L79A73-G77 PolarHBondContact O-N 3.02Å; Y74-G77 PolarHBondContact O-N 3.1Å; I75-G77 VanDerWaalsContact C-N 3.27Å; I75-G77 PolarHBondContact O-N 2.85Å; G77-L79 PolarHBondContact O-N 3.25Å
78H97.2Very high96.9Very high102 Ų10248.5 Ų48.547%0.47226%0.256SS..  trans-82.264.7177.5-58.5142.5000111.1A73 Q76 D80 S81 A82A73-H78 HydrophobicContact CB-CB 4.23Å; A73-H78 WeakPolarHBondContact O-CA 3.41Å; A73-H78 WeakPolarHBondContact O-CB 3.37Å; A73-H78 PolarHBondContact O-N 3.45Å; Q76-H78 VanDerWaalsContact C-N 3.25Å; Q76-H78 WeakPolarHBondContact CB-ND1 3.39Å; Q76-H78 PolarHBondContact O-N 3.39Å; Q76-H78 PolarHBondContact OE1-ND1 2.9Å; Q76-H78 VanDerWaalsContact OE1-ND1 3.13Å; H78-D80 PolarHBondContact O-N 3.49Å; H78-S81 WeakPolarHBondContact O-CB 3.47Å; H78-S81 PolarHBondContact O-N 2.77Å; H78-S81 VanDerWaalsContact O-N 3.07Å; H78-A82 PolarHBondContact O-N 3.36Å
79L97.5Very high96.9Very high33 Ų3346.7 Ų46.717%0.17325%0.247CC..Hα-helixtrans-57.9-41.4-170.6-59-176000113.7Y74 G77 S81 A82 E83 I115 E118 Q119Y74-L79 HydrophobicContact CD2-CD2 3.78Å; Y74-L79 HydrophobicContact CE2-CD2 4.06Å; G77-L79 PolarHBondContact O-N 3.25Å; L79-S81 VanDerWaalsContact C-N 3.3Å; L79-S81 PolarHBondContact O-N 3.26Å; L79-A82 PolarHBondContact O-N 3.48Å; L79-E83 WeakPolarHBondContact O-CB 3.33Å; L79-E83 PolarHBondContact O-N 3.09Å; L79-I115 HydrophobicContact CB-CG2 4.28Å; L79-E118 HydrophobicContact CD1-CB 3.74Å; L79-E118 VanDerWaalsContact CD2-OE2 3.29Å; L79-E118 WeakPolarHBondContact CD2-OE2 3.45Å; L79-Q119 HydrophobicContact CB-CG 3.86Å; L79-Q119 HydrophobicContact CD1-CG 3.82Å
80D97.9Very high96.9Very high99 Ų9947.6 Ų47.653%0.52925%0.252SS..Hα-helixtrans-64.9-34.2178.2-66.7-27.6000112.8H78 K84 Q119H78-D80 PolarHBondContact O-N 3.49Å; D80-K84 VanDerWaalsContact O-CG 3.29Å; D80-K84 WeakPolarHBondContact O-CG 3.42Å; D80-K84 PolarHBondContact O-N 3.32Å; D80-Q119 PolarHBondContact OD1-NE2 2.69Å
81S97.6Very high96.8Very high57 Ų5751.1 Ų51.140%0.39928%0.276SS..Hα-helixtrans-72.5-43.3176.2-65.20000110.5H78 L79 E83 K84 L85H78-S81 WeakPolarHBondContact O-CB 3.47Å; H78-S81 PolarHBondContact O-N 2.77Å; H78-S81 VanDerWaalsContact O-N 3.07Å; L79-S81 VanDerWaalsContact C-N 3.3Å; L79-S81 PolarHBondContact O-N 3.26Å; S81-E83 VanDerWaalsContact C-N 3.35Å; S81-E83 PolarHBondContact O-N 2.89Å; S81-K84 PolarHBondContact O-N 2.9Å; S81-L85 WeakPolarHBondContact O-CB 3.29Å; S81-L85 WeakPolarHBondContact O-CD1 3.32Å; S81-L85 VanDerWaalsContact O-CG 3.24Å; S81-L85 WeakPolarHBondContact O-CG 3.35Å; S81-L85 PolarHBondContact O-N 3.34Å
82A98.2Very high96.8Very high0 Ų052.9 Ų52.90%028%0.28CS..Hα-helixtrans-59.1-46.2175.200000111.4A70 A73 H78 L79 K84 L85 F86 I115A70-A82 WeakPolarHBondContact O-CB 3.36Å; A73-A82 HydrophobicContact CB-CB 4.05Å; H78-A82 PolarHBondContact O-N 3.36Å; L79-A82 PolarHBondContact O-N 3.48Å; A82-K84 PolarHBondContact O-N 2.93Å; A82-L85 PolarHBondContact O-N 2.8Å; A82-F86 WeakPolarHBondContact O-CD2 3.25Å; A82-F86 PolarHBondContact O-N 3.08Å; A82-I115 HydrophobicContact CB-CD1 3.78Å
83E98.1Very high96.9Very high23 Ų2353.2 Ų53.211%0.10728%0.282CS..Hα-helixtrans-55.1-50.4176.2-173.8-168.9148.800111.5L79 S81 L85 F86 K87 L112 I115 Y116 Q119 K121L79-E83 WeakPolarHBondContact O-CB 3.33Å; L79-E83 PolarHBondContact O-N 3.09Å; S81-E83 VanDerWaalsContact C-N 3.35Å; S81-E83 PolarHBondContact O-N 2.89Å; E83-L85 VanDerWaalsContact C-N 3.34Å; E83-L85 PolarHBondContact O-N 2.97Å; E83-F86 PolarHBondContact O-N 2.66Å; E83-K87 HydrophobicContact CG-CD 4.25Å; E83-K87 WeakPolarHBondContact O-CB 3.24Å; E83-K87 WeakPolarHBondContact O-CG 3.15Å; E83-K87 PolarHBondContact O-N 3.46Å; E83-K87 IonicContact OE1-NZ 2.72Å; E83-K87 PolarHBondContact OE1-NZ 3.06Å; E83-L112 HydrophobicContact CG-CD2 4.07Å; E83-I115 HydrophobicContact CB-CG2 4.14Å; E83-Y116 HydrophobicContact CG-CE1 3.92Å; E83-Q119 PolarHBondContact OE2-NE2 2.72Å; E83-Q119 VanDerWaalsContact OE2-NE2 3.11Å; E83-Q119 PolarHBondContact OE2-OE1 2.85Å; E83-K121 IonicContact OE1-NZ 3.41Å; E83-K121 IonicContact OE2-NZ 2.66Å; E83-K121 PolarHBondContact OE2-NZ 2.95Å
84K98.3Very high96.8Very high146 Ų14656 Ų5664%0.63530%0.295SS*.Hα-helixtrans-61.6-42.1179.7-73.8170.1-174.2171.20112.2D80 S81 A82 A88D80-K84 VanDerWaalsContact O-CG 3.29Å; D80-K84 WeakPolarHBondContact O-CG 3.42Å; D80-K84 PolarHBondContact O-N 3.32Å; S81-K84 PolarHBondContact O-N 2.9Å; A82-K84 PolarHBondContact O-N 2.93Å; K84-A88 WeakPolarHBondContact O-CB 3.42Å; K84-A88 PolarHBondContact O-N 2.72Å
85L98.3Very high96.8Very high30 Ų3056.4 Ų56.416%0.15731%0.314CS..Hα-helixtrans-70.1-41.6-178-70.3162.8000111.7Y66 M69 A70 A73 S81 A82 E83 A88 A89Y66-L85 HydrophobicContact CD1-CD2 3.64Å; Y66-L85 HydrophobicContact CE1-CD2 4.1Å; M69-L85 HydrophobicContact CB-CD1 3.85Å; M69-L85 HydrophobicContact CB-CD2 4.19Å; M69-L85 HydrophobicContact CE-CD2 4.23Å; A70-L85 HydrophobicContact CB-CB 3.58Å; A73-L85 HydrophobicContact CB-CD1 4.3Å; S81-L85 WeakPolarHBondContact O-CB 3.29Å; S81-L85 WeakPolarHBondContact O-CD1 3.32Å; S81-L85 VanDerWaalsContact O-CG 3.24Å; S81-L85 WeakPolarHBondContact O-CG 3.35Å; S81-L85 PolarHBondContact O-N 3.34Å; A82-L85 PolarHBondContact O-N 2.8Å; E83-L85 VanDerWaalsContact C-N 3.34Å; E83-L85 PolarHBondContact O-N 2.97Å; L85-A88 WeakPolarHBondContact O-CB 3.3Å; L85-A88 PolarHBondContact O-N 3.45Å; L85-A89 PolarHBondContact O-N 3.25Å
86F98.3Very high96.9Very high4 Ų453.2 Ų53.22%0.01831%0.309CS..Hα-helixtrans-65.5-41.4173.5-82-56.3000112.4A70 N71 A82 E83 A88 A89 M90 M108 K111 L112 I115A70-F86 HydrophobicContact CB-CD1 3.83Å; A70-F86 HydrophobicContact CB-CD2 3.48Å; A70-F86 VanDerWaalsContact CB-CD2 3.48Å; A70-F86 HydrophobicContact CB-CE1 3.83Å; A70-F86 HydrophobicContact CB-CE2 3.47Å; A70-F86 VanDerWaalsContact CB-CE2 3.47Å; A70-F86 HydrophobicContact CB-CG 3.66Å; A70-F86 HydrophobicContact CB-CZ 3.66Å; N71-F86 WeakPolarHBondContact OD1-CZ 3.41Å; A82-F86 WeakPolarHBondContact O-CD2 3.25Å; A82-F86 PolarHBondContact O-N 3.08Å; E83-F86 PolarHBondContact O-N 2.66Å; F86-A88 VanDerWaalsContact C-N 3.3Å; F86-A88 PolarHBondContact O-N 2.96Å; F86-A89 PolarHBondContact O-N 3.03Å; F86-M90 WeakPolarHBondContact O-CB 3.46Å; F86-M90 PolarHBondContact O-N 3.14Å; F86-M108 HydrophobicContact CD1-SD 3.59Å; F86-M108 VanDerWaalsContact CD1-SD 3.59Å; F86-M108 HydrophobicContact CE1-CE 4.36Å; F86-M108 HydrophobicContact CE1-SD 3.92Å; F86-K111 HydrophobicContact CD1-CB 4.29Å; F86-K111 HydrophobicContact CD2-CB 4.08Å; F86-K111 HydrophobicContact CE1-CB 4.01Å; F86-K111 HydrophobicContact CE1-CG 3.97Å; F86-K111 HydrophobicContact CE2-CB 3.77Å; F86-K111 HydrophobicContact CE2-CG 4.3Å; F86-K111 HydrophobicContact CG-CB 4.33Å; F86-K111 HydrophobicContact CZ-CB 3.73Å; F86-K111 HydrophobicContact CZ-CD 4.26Å; F86-K111 HydrophobicContact CZ-CG 3.76Å; F86-L112 HydrophobicContact CB-CD2 3.73Å; F86-L112 HydrophobicContact CB-CG 3.97Å; F86-I115 HydrophobicContact CD2-CD1 3.55Å; F86-I115 HydrophobicContact CE2-CD1 3.87Å
87K98.1Very high97Very high80 Ų8053.4 Ų53.435%0.34833%0.327SS..Hα-helixtrans-59.6-40.9172.6-77.3177.2175.4174.20112E83 S91 L112 Y116E83-K87 HydrophobicContact CG-CD 4.25Å; E83-K87 WeakPolarHBondContact O-CB 3.24Å; E83-K87 WeakPolarHBondContact O-CG 3.15Å; E83-K87 PolarHBondContact O-N 3.46Å; E83-K87 IonicContact OE1-NZ 2.72Å; E83-K87 PolarHBondContact OE1-NZ 3.06Å; K87-S91 VanDerWaalsContact O-CB 3.29Å; K87-S91 WeakPolarHBondContact O-CB 3.48Å; K87-S91 PolarHBondContact O-N 3.08Å; K87-L112 HydrophobicContact CG-CD1 4.08Å; K87-L112 HydrophobicContact CG-CD2 4.05Å; K87-Y116 WeakPolarHBondContact CE-OH 3.35Å; K87-Y116 PolarHBondContact NZ-OH 3.02Å
88A97.6Very high97.1Very high31 Ų3153 Ų5326%0.25632%0.315SS..Hα-helixtrans-63-49.4175.500000111.3Y66 K84 L85 F86 M90 S91 Y92Y66-A88 HydrophobicContact CD2-CB 4.33Å; Y66-A88 HydrophobicContact CE2-CB 4.42Å; Y66-A88 HydrophobicContact CG-CB 4.5Å; K84-A88 WeakPolarHBondContact O-CB 3.42Å; K84-A88 PolarHBondContact O-N 2.72Å; L85-A88 WeakPolarHBondContact O-CB 3.3Å; L85-A88 PolarHBondContact O-N 3.45Å; F86-A88 VanDerWaalsContact C-N 3.3Å; F86-A88 PolarHBondContact O-N 2.96Å; A88-M90 PolarHBondContact O-N 3.3Å; A88-S91 PolarHBondContact O-N 3.01Å; A88-Y92 WeakPolarHBondContact O-CD2 3.3Å; A88-Y92 PolarHBondContact O-N 3.32Å
89A97.3Very high97Very high0 Ų051.6 Ų51.60%032%0.315CS..Hα-helixtrans-55.9-50.3176.900000111.7I63 L85 F86 S91 Y92 M93 M108I63-A89 HydrophobicContact CG2-CB 4.46Å; L85-A89 PolarHBondContact O-N 3.25Å; F86-A89 PolarHBondContact O-N 3.03Å; A89-S91 VanDerWaalsContact C-N 3.35Å; A89-S91 PolarHBondContact O-N 2.66Å; A89-Y92 WeakPolarHBondContact O-CB 3.5Å; A89-Y92 PolarHBondContact O-N 3.39Å; A89-Y92 VanDerWaalsContact O-N 3.16Å; A89-M93 WeakPolarHBondContact O-CG 3.38Å; A89-M93 PolarHBondContact O-N 3.45Å; A89-M93 VanDerWaalsContact O-N 3.11Å; A89-M108 HydrophobicContact CB-SD 4.4Å
90M97.3Very high96.9Very high39 Ų3956.4 Ų56.419%0.19234%0.336CS..Hα-helixtrans-61.8-40.2178.2-170.8173.169.100112.2F86 A88 Y92 M93 L94 V105 M108 L112F86-M90 WeakPolarHBondContact O-CB 3.46Å; F86-M90 PolarHBondContact O-N 3.14Å; A88-M90 PolarHBondContact O-N 3.3Å; M90-Y92 VanDerWaalsContact C-N 3.32Å; M90-Y92 PolarHBondContact O-N 2.96Å; M90-M93 WeakPolarHBondContact O-CB 3.32Å; M90-M93 PolarHBondContact O-N 3.18Å; M90-M93 VanDerWaalsContact O-N 3.14Å; M90-L94 HydrophobicContact CG-CD1 4.27Å; M90-L94 WeakPolarHBondContact O-CG 3.23Å; M90-L94 PolarHBondContact O-N 2.89Å; M90-V105 HydrophobicContact CG-CG1 4.31Å; M90-V105 HydrophobicContact SD-CG1 4.4Å; M90-M108 HydrophobicContact CB-CB 4.24Å; M90-M108 HydrophobicContact CG-CB 4.4Å; M90-M108 HydrophobicContact SD-CB 4.33Å; M90-L112 HydrophobicContact CE-CD1 3.81Å; M90-L112 HydrophobicContact SD-CD1 4.24Å
91S96.8Very high96.7Very high73 Ų7355 Ų5551%0.5133%0.329SS..Hα-helixtrans-62-37.9175.5-176.50000112.4K87 A88 A89 M93 A95K87-S91 VanDerWaalsContact O-CB 3.29Å; K87-S91 WeakPolarHBondContact O-CB 3.48Å; K87-S91 PolarHBondContact O-N 3.08Å; A88-S91 PolarHBondContact O-N 3.01Å; A89-S91 VanDerWaalsContact C-N 3.35Å; A89-S91 PolarHBondContact O-N 2.66Å; S91-M93 VanDerWaalsContact C-N 3.35Å; S91-A95 WeakPolarHBondContact O-CB 3.34Å; S91-A95 PolarHBondContact O-N 2.86Å
92Y95.6Very high96.6Very high83 Ų8354.8 Ų54.833%0.32532%0.323SS..Hα-helixtrans-66.1-36.8174.2-91.1-84.2000112.1I62 Y66 A88 A89 M90 G96I62-Y92 HydrophobicContact CD1-CE1 4.24Å; I62-Y92 HydrophobicContact CG2-CD1 4.16Å; I62-Y92 HydrophobicContact CG2-CD2 4Å; I62-Y92 HydrophobicContact CG2-CE1 3.99Å; I62-Y92 HydrophobicContact CG2-CE2 3.85Å; I62-Y92 HydrophobicContact CG2-CG 4.16Å; Y66-Y92 HydrophobicContact CD2-CD2 4.27Å; Y66-Y92 HydrophobicContact CD2-CE2 4.35Å; Y66-Y92 HydrophobicContact CE2-CD2 4.03Å; Y66-Y92 AromaticContact CE2-CE2 3.65Å; Y66-Y92 HydrophobicContact CE2-CE2 3.65Å; A88-Y92 WeakPolarHBondContact O-CD2 3.3Å; A88-Y92 PolarHBondContact O-N 3.32Å; A89-Y92 WeakPolarHBondContact O-CB 3.5Å; A89-Y92 PolarHBondContact O-N 3.39Å; A89-Y92 VanDerWaalsContact O-N 3.16Å; M90-Y92 VanDerWaalsContact C-N 3.32Å; M90-Y92 PolarHBondContact O-N 2.96Å; Y92-G96 PolarHBondContact O-N 2.89Å
93M96.6Very high96.6Very high12 Ų1255.8 Ų55.86%0.05933%0.328CS..Hα-helixtrans-64.7-50.6176.9-64.6168.970.900111.4I63 A89 M90 S91 G96 G97 T98 A104 V105 M108I63-M93 HydrophobicContact CD1-CG 3.7Å; I63-M93 HydrophobicContact CG1-CG 4.05Å; I63-M93 HydrophobicContact CG2-CG 3.81Å; I63-M93 HydrophobicContact CG2-SD 3.98Å; A89-M93 WeakPolarHBondContact O-CG 3.38Å; A89-M93 PolarHBondContact O-N 3.45Å; A89-M93 VanDerWaalsContact O-N 3.11Å; M90-M93 WeakPolarHBondContact O-CB 3.32Å; M90-M93 PolarHBondContact O-N 3.18Å; M90-M93 VanDerWaalsContact O-N 3.14Å; S91-M93 VanDerWaalsContact C-N 3.35Å; M93-G96 CarbonylContact O-C 3.56Å; M93-G96 WeakPolarHBondContact O-CA 3.36Å; M93-G96 PolarHBondContact O-N 3.2Å; M93-G96 VanDerWaalsContact O-N 3.07Å; M93-G97 PolarHBondContact O-N 3.38Å; M93-T98 HydrophobicContact CE-CG2 4.4Å; M93-T98 VanDerWaalsContact O-CB 3.22Å; M93-T98 WeakPolarHBondContact O-CB 3.44Å; M93-T98 PolarHBondContact O-N 2.68Å; M93-T98 PolarHBondContact O-OG1 3.1Å; M93-A104 VanDerWaalsContact CE-C 3.48Å; M93-A104 HydrophobicContact CE-CB 3.34Å; M93-V105 HydrophobicContact CB-CG2 4.38Å; M93-V105 HydrophobicContact CE-CG2 3.75Å; M93-M108 HydrophobicContact SD-CG 3.87Å
94L96.9Very high96.5Very high65 Ų6556.4 Ų56.434%0.3434%0.337SS..Hα-helixtrans-65.4-44.2-179.9-65.1174.3000111.7M90 G96 G97 E100 V105M90-L94 HydrophobicContact CG-CD1 4.27Å; M90-L94 WeakPolarHBondContact O-CG 3.23Å; M90-L94 PolarHBondContact O-N 2.89Å; L94-G96 PolarHBondContact O-N 3.38Å; L94-G97 PolarHBondContact O-N 2.94Å; L94-E100 HydrophobicContact CD2-CG 3.86Å; L94-V105 HydrophobicContact CD2-CG1 4.29Å; L94-V105 HydrophobicContact CD2-CG2 4.28Å
95A95.7Very high96.5Very high84 Ų8449.6 Ų49.669%0.69431%0.308SS*.Hα-helixtrans-64.8-20.3173.700000112.9S91 G97S91-A95 WeakPolarHBondContact O-CB 3.34Å; S91-A95 PolarHBondContact O-N 2.86Å; A95-G97 VanDerWaalsContact C-N 3.29Å
96G93.3Very high96.5Very high45 Ų4548.2 Ų48.246%0.46430%0.301SS..THydrogen-bonded Turntrans-79.9-4.8171.500000114.5Y92 M93 L94Y92-G96 PolarHBondContact O-N 2.89Å; M93-G96 CarbonylContact O-C 3.56Å; M93-G96 WeakPolarHBondContact O-CA 3.36Å; M93-G96 PolarHBondContact O-N 3.2Å; M93-G96 VanDerWaalsContact O-N 3.07Å; L94-G96 PolarHBondContact O-N 3.38Å
97G96.1Very high96.5Very high65 Ų6552.2 Ų52.267%0.6732%0.32SS*.THydrogen-bonded Turntrans85.613-176.900000114.3M93 L94 A95 P99M93-G97 PolarHBondContact O-N 3.38Å; L94-G97 PolarHBondContact O-N 2.94Å; A95-G97 VanDerWaalsContact C-N 3.29Å; G97-P99 WeakPolarHBondContact O-CD 3.46Å
98T96.6Very high96.4Very high43 Ų4349.1 Ų49.126%0.26431%0.306SS..  trans-66.6126.9172.5-46.80000108.6M93 D102 V105M93-T98 HydrophobicContact CE-CG2 4.4Å; M93-T98 VanDerWaalsContact O-CB 3.22Å; M93-T98 WeakPolarHBondContact O-CB 3.44Å; M93-T98 PolarHBondContact O-N 2.68Å; M93-T98 PolarHBondContact O-OG1 3.1Å; T98-D102 HydrophobicContact CG2-CB 3.66Å; T98-V105 HydrophobicContact CG2-CG2 3.76Å
99P95.9Very high96.5Very high72 Ų7248.3 Ų48.347%0.46830%0.299SS..  trans-59.1149.6178-2534.8000112.9G97 D101 D102 V105G97-P99 WeakPolarHBondContact O-CD 3.46Å; P99-D101 VanDerWaalsContact CB-OD1 3.24Å; P99-D101 WeakPolarHBondContact CB-OD1 3.35Å; P99-D101 PolarHBondContact O-N 2.97Å; P99-D102 HydrophobicContact CB-CB 4.42Å; P99-D102 VanDerWaalsContact O-CB 3.22Å; P99-D102 WeakPolarHBondContact O-CB 3.3Å; P99-D102 PolarHBondContact O-N 3.44Å; P99-D102 VanDerWaalsContact O-N 3.13Å; P99-V105 WeakPolarHBondContact O-CG2 3.1Å
100E94.6Very high96.5Very high133 Ų13348.9 Ų48.962%0.62130%0.302SS*.THydrogen-bonded Turntrans-64.5-29.8177.7-67.8-179.4-178.400112.6L94 D102L94-E100 HydrophobicContact CD2-CG 3.86Å; E100-D102 VanDerWaalsContact C-N 3.31Å
101D93.4Very high96.6Very high70 Ų7051 Ų5137%0.37431%0.31SS..THydrogen-bonded Turntrans-90.410.6176.869.2-19.2000113.2P99 K139P99-D101 VanDerWaalsContact CB-OD1 3.24Å; P99-D101 WeakPolarHBondContact CB-OD1 3.35Å; P99-D101 PolarHBondContact O-N 2.97Å; D101-K139 WeakPolarHBondContact O-CD 3.32Å; D101-K139 PolarHBondContact O-NZ 2.83Å
102D96.1Very high96.7Very high53 Ų5347.9 Ų47.928%0.28329%0.288SS..SBendtrans-69142.1171.8-170.3-90.1000111.1T98 P99 E100 A104 V105 I106T98-D102 HydrophobicContact CG2-CB 3.66Å; P99-D102 HydrophobicContact CB-CB 4.42Å; P99-D102 VanDerWaalsContact O-CB 3.22Å; P99-D102 WeakPolarHBondContact O-CB 3.3Å; P99-D102 PolarHBondContact O-N 3.44Å; P99-D102 VanDerWaalsContact O-N 3.13Å; E100-D102 VanDerWaalsContact C-N 3.31Å; D102-A104 PolarHBondContact O-N 3.39Å; D102-A104 WeakPolarHBondContact OD1-CB 3.36Å; D102-A104 PolarHBondContact OD1-N 3.35Å; D102-V105 HydrophobicContact CB-CG2 4.33Å; D102-V105 PolarHBondContact O-N 3.48Å; D102-I106 WeakPolarHBondContact O-CG1 3.24Å; D102-I106 PolarHBondContact O-N 3.29Å
103N97.3Very high96.8Very high20 Ų2043.9 Ų43.911%0.10727%0.272CS..Hα-helixtrans-59.5-34.6-175.9-69.312.9000111.6I106 E107 K139 T159 L162N103-I106 PolarHBondContact O-N 2.83Å; N103-E107 WeakPolarHBondContact O-CB 3.18Å; N103-E107 PolarHBondContact O-N 3.21Å; N103-K139 PolarHBondContact OD1-NZ 3.27Å; N103-T159 WeakPolarHBondContact ND2-CA 3.48Å; N103-T159 PolarHBondContact ND2-N 2.84Å; N103-T159 PolarHBondContact ND2-OG1 3.26Å; N103-T159 PolarHBondContact OD1-OG1 3.06Å; N103-L162 HydrophobicContact CB-CD2 3.82Å; N103-L162 WeakPolarHBondContact O-CD2 3.29Å
104A96.3Very high96.9Very high36 Ų3644.9 Ų44.930%0.29828%0.279SS..Hα-helixtrans-70.2-35.4179.100000111.8M93 D102 E107 M108M93-A104 VanDerWaalsContact CE-C 3.48Å; M93-A104 HydrophobicContact CE-CB 3.34Å; D102-A104 PolarHBondContact O-N 3.39Å; D102-A104 WeakPolarHBondContact OD1-CB 3.36Å; D102-A104 PolarHBondContact OD1-N 3.35Å; A104-E107 PolarHBondContact O-N 3.33Å; A104-M108 WeakPolarHBondContact O-CG 2.94Å; A104-M108 PolarHBondContact O-N 2.91Å; A104-M108 VanDerWaalsContact O-N 3.16Å
105V97.8Very high96.9Very high4 Ų441.9 Ų41.92%0.02426%0.263CS..Hα-helixtrans-70.1-40.8176175.90000110.4M90 M93 L94 T98 P99 D102 E107 M108 S109M90-V105 HydrophobicContact CG-CG1 4.31Å; M90-V105 HydrophobicContact SD-CG1 4.4Å; M93-V105 HydrophobicContact CB-CG2 4.38Å; M93-V105 HydrophobicContact CE-CG2 3.75Å; L94-V105 HydrophobicContact CD2-CG1 4.29Å; L94-V105 HydrophobicContact CD2-CG2 4.28Å; T98-V105 HydrophobicContact CG2-CG2 3.76Å; P99-V105 WeakPolarHBondContact O-CG2 3.1Å; D102-V105 HydrophobicContact CB-CG2 4.33Å; D102-V105 PolarHBondContact O-N 3.48Å; V105-E107 VanDerWaalsContact C-N 3.33Å; V105-E107 PolarHBondContact O-N 3.3Å; V105-M108 PolarHBondContact O-N 3.13Å; V105-S109 PolarHBondContact O-N 2.8Å; V105-S109 PolarHBondContact O-OG 3.27Å
106I98.4Very high97.1Very high0 Ų039 Ų390%024%0.235CC..Hα-helixtrans-64.8-38.8175.8-63.5168.5000110.6D102 N103 M108 S109 L110 F131 C132 L136 L162D102-I106 WeakPolarHBondContact O-CG1 3.24Å; D102-I106 PolarHBondContact O-N 3.29Å; N103-I106 PolarHBondContact O-N 2.83Å; I106-M108 PolarHBondContact O-N 3.42Å; I106-S109 WeakPolarHBondContact O-CB 3.32Å; I106-S109 PolarHBondContact O-N 3.48Å; I106-S109 VanDerWaalsContact O-N 3.15Å; I106-L110 PolarHBondContact O-N 3.07Å; I106-F131 HydrophobicContact CG1-CE1 4.38Å; I106-C132 HydrophobicContact CG2-CB 3.88Å; I106-L136 HydrophobicContact CD1-CD2 3.59Å; I106-L136 HydrophobicContact CD1-CG 3.9Å; I106-L136 HydrophobicContact CG2-CD1 3.84Å; I106-L136 HydrophobicContact CG2-CD2 4.23Å; I106-L136 HydrophobicContact CG2-CG 3.98Å; I106-L162 HydrophobicContact CB-CD2 4.26Å; I106-L162 HydrophobicContact CG2-CD2 4.16Å
107E98Very high97.3Very high89 Ų8937.9 Ų37.942%0.41622%0.221SC..Hα-helixtrans-60.1-45.4173.8-170-171.4164.300111.8N103 A104 V105 S109 L110 K111 L162N103-E107 WeakPolarHBondContact O-CB 3.18Å; N103-E107 PolarHBondContact O-N 3.21Å; A104-E107 PolarHBondContact O-N 3.33Å; V105-E107 VanDerWaalsContact C-N 3.33Å; V105-E107 PolarHBondContact O-N 3.3Å; E107-S109 VanDerWaalsContact C-N 3.28Å; E107-S109 PolarHBondContact O-N 3.47Å; E107-L110 WeakPolarHBondContact O-CB 3.42Å; E107-L110 PolarHBondContact O-N 3.02Å; E107-K111 WeakPolarHBondContact O-CG 3.49Å; E107-K111 PolarHBondContact O-N 3.02Å; E107-K111 VanDerWaalsContact O-N 3.11Å; E107-L162 HydrophobicContact CB-CD1 4.47Å
108M97.4Very high97.3Very high14 Ų1439 Ų397%0.06921%0.209CC..Hα-helixtrans-61.7-38.7174.8-64.9-59.8104.500111.7S67 F86 A89 M90 M93 A104 V105 I106 K111 L112S67-M108 PolarHBondContact OG-SD 3.45Å; F86-M108 HydrophobicContact CD1-SD 3.59Å; F86-M108 VanDerWaalsContact CD1-SD 3.59Å; F86-M108 HydrophobicContact CE1-CE 4.36Å; F86-M108 HydrophobicContact CE1-SD 3.92Å; A89-M108 HydrophobicContact CB-SD 4.4Å; M90-M108 HydrophobicContact CB-CB 4.24Å; M90-M108 HydrophobicContact CG-CB 4.4Å; M90-M108 HydrophobicContact SD-CB 4.33Å; M93-M108 HydrophobicContact SD-CG 3.87Å; A104-M108 WeakPolarHBondContact O-CG 2.94Å; A104-M108 PolarHBondContact O-N 2.91Å; A104-M108 VanDerWaalsContact O-N 3.16Å; V105-M108 PolarHBondContact O-N 3.13Å; I106-M108 PolarHBondContact O-N 3.42Å; M108-K111 PolarHBondContact O-N 2.84Å; M108-L112 WeakPolarHBondContact O-CG 3.09Å; M108-L112 PolarHBondContact O-N 3.28Å
109S98.3Very high97.3Very high15 Ų1538.6 Ų38.611%0.10520%0.204CC..Hα-helixtrans-65.3-39.6177.7-590000111.9V105 I106 E107 L112 A113V105-S109 PolarHBondContact O-N 2.8Å; V105-S109 PolarHBondContact O-OG 3.27Å; I106-S109 WeakPolarHBondContact O-CB 3.32Å; I106-S109 PolarHBondContact O-N 3.48Å; I106-S109 VanDerWaalsContact O-N 3.15Å; E107-S109 VanDerWaalsContact C-N 3.28Å; E107-S109 PolarHBondContact O-N 3.47Å; S109-L112 PolarHBondContact O-N 3.41Å; S109-A113 WeakPolarHBondContact O-CB 3.46Å; S109-A113 PolarHBondContact O-N 3.29Å
110L98.7Very high97.3Very high12 Ų1242.2 Ų42.26%0.06322%0.219CC..Hα-helixtrans-62.1-43.1174.3178.562.8000111.7I106 E107 A113 T114 F129 C132 L165 C166I106-L110 PolarHBondContact O-N 3.07Å; E107-L110 WeakPolarHBondContact O-CB 3.42Å; E107-L110 PolarHBondContact O-N 3.02Å; L110-A113 PolarHBondContact O-N 2.97Å; L110-T114 PolarHBondContact O-N 3.11Å; L110-T114 PolarHBondContact O-OG1 3.33Å; L110-F129 HydrophobicContact CD1-CD1 4.04Å; L110-F129 HydrophobicContact CD1-CE1 3.89Å; L110-C132 PolarHBondContact N-SG 3.34Å; L110-L165 HydrophobicContact CD2-CB 4.43Å; L110-C166 HydrophobicContact CD1-CB 4.32Å
111K98.2Very high97.4Very high82 Ų8239.3 Ų39.336%0.35720%0.204SC..Hα-helixtrans-61.6-43.6175.1-63.3-62.7-178.9-172.70111.5F86 E107 M108 T114 I115F86-K111 HydrophobicContact CD1-CB 4.29Å; F86-K111 HydrophobicContact CD2-CB 4.08Å; F86-K111 HydrophobicContact CE1-CB 4.01Å; F86-K111 HydrophobicContact CE1-CG 3.97Å; F86-K111 HydrophobicContact CE2-CB 3.77Å; F86-K111 HydrophobicContact CE2-CG 4.3Å; F86-K111 HydrophobicContact CG-CB 4.33Å; F86-K111 HydrophobicContact CZ-CB 3.73Å; F86-K111 HydrophobicContact CZ-CD 4.26Å; F86-K111 HydrophobicContact CZ-CG 3.76Å; E107-K111 WeakPolarHBondContact O-CG 3.49Å; E107-K111 PolarHBondContact O-N 3.02Å; E107-K111 VanDerWaalsContact O-N 3.11Å; M108-K111 PolarHBondContact O-N 2.84Å; K111-T114 PolarHBondContact O-N 3.3Å; K111-I115 WeakPolarHBondContact O-CG1 3.39Å; K111-I115 PolarHBondContact O-N 3.43Å
112L98.5Very high97.5Very high8 Ų838 Ų384%0.04220%0.204CC..Hα-helixtrans-64.2-43.7176.2-73.8170.7000112.3E83 F86 K87 M90 M108 S109 T114 I115 Y116E83-L112 HydrophobicContact CG-CD2 4.07Å; F86-L112 HydrophobicContact CB-CD2 3.73Å; F86-L112 HydrophobicContact CB-CG 3.97Å; K87-L112 HydrophobicContact CG-CD1 4.08Å; K87-L112 HydrophobicContact CG-CD2 4.05Å; M90-L112 HydrophobicContact CE-CD1 3.81Å; M90-L112 HydrophobicContact SD-CD1 4.24Å; M108-L112 WeakPolarHBondContact O-CG 3.09Å; M108-L112 PolarHBondContact O-N 3.28Å; S109-L112 PolarHBondContact O-N 3.41Å; L112-T114 VanDerWaalsContact C-N 3.28Å; L112-T114 PolarHBondContact O-N 3.29Å; L112-I115 PolarHBondContact O-N 2.93Å; L112-Y116 HydrophobicContact CB-CE2 4.14Å; L112-Y116 WeakPolarHBondContact O-CD2 3.48Å; L112-Y116 PolarHBondContact O-N 3.2Å
113A98.6Very high97.6Very high0 Ų043 Ų430%023%0.225CC..Hα-helixtrans-58.4-42.1176.400000111.7S109 L110 Y116 A117 F129S109-A113 WeakPolarHBondContact O-CB 3.46Å; S109-A113 PolarHBondContact O-N 3.29Å; L110-A113 PolarHBondContact O-N 2.97Å; A113-Y116 PolarHBondContact O-N 2.86Å; A113-A117 PolarHBondContact O-N 2.99Å; A113-F129 HydrophobicContact CB-CD1 3.88Å; A113-F129 HydrophobicContact CB-CD2 4.3Å; A113-F129 HydrophobicContact CB-CE1 3.91Å; A113-F129 HydrophobicContact CB-CE2 4.32Å; A113-F129 HydrophobicContact CB-CG 4.06Å; A113-F129 HydrophobicContact CB-CZ 4.14Å
114T98.2Very high97.6Very high33 Ų3346 Ų4620%0.20224%0.241CC..Hα-helixtrans-64.5-43.4176.3-520000111.8L110 K111 L112 Y116 A117 E118L110-T114 PolarHBondContact O-N 3.11Å; L110-T114 PolarHBondContact O-OG1 3.33Å; K111-T114 PolarHBondContact O-N 3.3Å; L112-T114 VanDerWaalsContact C-N 3.28Å; L112-T114 PolarHBondContact O-N 3.29Å; T114-Y116 VanDerWaalsContact C-N 3.33Å; T114-Y116 PolarHBondContact O-N 3.07Å; T114-A117 WeakPolarHBondContact O-CB 3.42Å; T114-A117 PolarHBondContact O-N 3.46Å; T114-E118 PolarHBondContact O-N 3.5Å; T114-E118 VanDerWaalsContact O-N 3.1Å
115I98.3Very high97.7Very high2 Ų244.3 Ų44.31%0.0123%0.227CC..Hα-helixtrans-61.9-42.1175-70.5164.5000111.1Y74 L79 A82 E83 F86 K111 L112 A117 E118 Q119Y74-I115 HydrophobicContact CD2-CD1 4.41Å; Y74-I115 HydrophobicContact CD2-CG1 3.8Å; Y74-I115 HydrophobicContact CE2-CG1 4.02Å; L79-I115 HydrophobicContact CB-CG2 4.28Å; A82-I115 HydrophobicContact CB-CD1 3.78Å; E83-I115 HydrophobicContact CB-CG2 4.14Å; F86-I115 HydrophobicContact CD2-CD1 3.55Å; F86-I115 HydrophobicContact CE2-CD1 3.87Å; K111-I115 WeakPolarHBondContact O-CG1 3.39Å; K111-I115 PolarHBondContact O-N 3.43Å; L112-I115 PolarHBondContact O-N 2.93Å; I115-A117 VanDerWaalsContact C-N 3.31Å; I115-A117 PolarHBondContact O-N 3.11Å; I115-E118 PolarHBondContact O-N 3.43Å; I115-Q119 HydrophobicContact CG2-CG 4.28Å; I115-Q119 WeakPolarHBondContact O-CB 3.34Å; I115-Q119 VanDerWaalsContact O-CG 3.31Å; I115-Q119 WeakPolarHBondContact O-CG 3.17Å; I115-Q119 PolarHBondContact O-N 2.84Å
116Y98.5Very high97.7Very high24 Ų2447.1 Ų47.19%0.09424%0.239CC..Hα-helixtrans-63.7-38.1176.9-63.8-34.9000112.3E83 K87 L112 A113 T114 Q119 N120 K121 L124E83-Y116 HydrophobicContact CG-CE1 3.92Å; K87-Y116 WeakPolarHBondContact CE-OH 3.35Å; K87-Y116 PolarHBondContact NZ-OH 3.02Å; L112-Y116 HydrophobicContact CB-CE2 4.14Å; L112-Y116 WeakPolarHBondContact O-CD2 3.48Å; L112-Y116 PolarHBondContact O-N 3.2Å; A113-Y116 PolarHBondContact O-N 2.86Å; T114-Y116 VanDerWaalsContact C-N 3.33Å; T114-Y116 PolarHBondContact O-N 3.07Å; Y116-Q119 PolarHBondContact O-N 2.95Å; Y116-N120 PolarHBondContact O-N 3.43Å; Y116-K121 HydrophobicContact CD1-CD 3.93Å; Y116-K121 PolarHBondContact O-N 3.37Å; Y116-L124 HydrophobicContact CD1-CB 4.34Å; Y116-L124 HydrophobicContact CD1-CD1 4.19Å; Y116-L124 HydrophobicContact CD2-CB 3.52Å; Y116-L124 HydrophobicContact CE1-CD1 4.05Å; Y116-L124 HydrophobicContact CE2-CB 3.93Å; Y116-L124 HydrophobicContact CE2-CD1 4.44Å; Y116-L124 HydrophobicContact CG-CB 3.74Å; Y116-L124 HydrophobicContact CG-CD1 4.42Å
117A97.4Very high97.7Very high21 Ų2153.6 Ų53.617%0.17427%0.269CS..Hα-helixtrans-59-47.7173.900000111.2A113 T114 I115 Q119 N120 A125 F129 Y173A113-A117 PolarHBondContact O-N 2.99Å; T114-A117 WeakPolarHBondContact O-CB 3.42Å; T114-A117 PolarHBondContact O-N 3.46Å; I115-A117 VanDerWaalsContact C-N 3.31Å; I115-A117 PolarHBondContact O-N 3.11Å; A117-Q119 VanDerWaalsContact C-N 3.34Å; A117-Q119 PolarHBondContact O-N 2.97Å; A117-N120 PolarHBondContact O-N 3.27Å; A117-A125 HydrophobicContact CB-CB 4.1Å; A117-F129 HydrophobicContact CB-CE2 4.39Å; A117-Y173 HydrophobicContact CB-CD2 3.43Å; A117-Y173 VanDerWaalsContact CB-CD2 3.43Å; A117-Y173 HydrophobicContact CB-CE2 3.73Å; A117-Y173 HydrophobicContact CB-CG 4.13Å
118E96.4Very high97.7Very high89 Ų8950 Ų5042%0.41626%0.257SS..Hα-helixtrans-67.6-32178.3-70-177.7-169.600113.8Y74 L79 T114 I115 N120Y74-E118 WeakPolarHBondContact CE2-OE1 3.42Å; Y74-E118 WeakPolarHBondContact CE2-OE2 3.32Å; Y74-E118 VanDerWaalsContact CZ-OE1 3.26Å; Y74-E118 PolarHBondContact OH-OE1 3.29Å; L79-E118 HydrophobicContact CD1-CB 3.74Å; L79-E118 VanDerWaalsContact CD2-OE2 3.29Å; L79-E118 WeakPolarHBondContact CD2-OE2 3.45Å; T114-E118 PolarHBondContact O-N 3.5Å; T114-E118 VanDerWaalsContact O-N 3.1Å; I115-E118 PolarHBondContact O-N 3.43Å; E118-N120 PolarHBondContact O-N 3.41Å
119Q96.3Very high97.8Very high34 Ų3449.5 Ų49.516%0.15925%0.254CS..THydrogen-bonded Turntrans-76.72.6172.9-70.4172.5-29.100113.1L79 D80 E83 I115 Y116 A117 K121L79-Q119 HydrophobicContact CB-CG 3.86Å; L79-Q119 HydrophobicContact CD1-CG 3.82Å; D80-Q119 PolarHBondContact OD1-NE2 2.69Å; E83-Q119 PolarHBondContact OE2-NE2 2.72Å; E83-Q119 VanDerWaalsContact OE2-NE2 3.11Å; E83-Q119 PolarHBondContact OE2-OE1 2.85Å; I115-Q119 HydrophobicContact CG2-CG 4.28Å; I115-Q119 WeakPolarHBondContact O-CB 3.34Å; I115-Q119 VanDerWaalsContact O-CG 3.31Å; I115-Q119 WeakPolarHBondContact O-CG 3.17Å; I115-Q119 PolarHBondContact O-N 2.84Å; Y116-Q119 PolarHBondContact O-N 2.95Å; A117-Q119 VanDerWaalsContact C-N 3.34Å; A117-Q119 PolarHBondContact O-N 2.97Å; Q119-K121 HydrophobicContact CB-CD 4.12Å; Q119-K121 HydrophobicContact CB-CG 4.01Å; Q119-K121 PolarHBondContact O-N 3.26Å; Q119-K121 VanDerWaalsContact OE1-CE 3.24Å
120N95.6Very high97.8Very high148 Ų14850.4 Ų50.479%0.79126%0.26SS*.THydrogen-bonded Turntrans58.226.2-173.3-62.7-71.5000114.3Y116 A117 E118 A122Y116-N120 PolarHBondContact O-N 3.43Å; A117-N120 PolarHBondContact O-N 3.27Å; E118-N120 PolarHBondContact O-N 3.41Å; N120-A122 VanDerWaalsContact C-N 3.3Å; N120-A122 PolarHBondContact O-N 3.47Å; N120-A122 VanDerWaalsContact O-N 3.13Å
121K97.6Very high97.8Very high71 Ų7153.2 Ų53.231%0.30927%0.272SS..  trans-87.369.3175-63.7177.2-172.6163.80109.8E83 Y116 Q119 E123 L124 A125E83-K121 IonicContact OE1-NZ 3.41Å; E83-K121 IonicContact OE2-NZ 2.66Å; E83-K121 PolarHBondContact OE2-NZ 2.95Å; Y116-K121 HydrophobicContact CD1-CD 3.93Å; Y116-K121 PolarHBondContact O-N 3.37Å; Q119-K121 HydrophobicContact CB-CD 4.12Å; Q119-K121 HydrophobicContact CB-CG 4.01Å; Q119-K121 PolarHBondContact O-N 3.26Å; Q119-K121 VanDerWaalsContact OE1-CE 3.24Å; K121-E123 PolarHBondContact O-N 2.89Å; K121-L124 HydrophobicContact CB-CB 4.36Å; K121-L124 HydrophobicContact CB-CD1 4.29Å; K121-L124 HydrophobicContact CD-CD1 4.07Å; K121-L124 PolarHBondContact O-N 3.29Å; K121-L124 VanDerWaalsContact O-N 3.14Å; K121-A125 PolarHBondContact O-N 3.35Å
122A96.4Very high97.8Very high43 Ų4349.3 Ų49.336%0.35526%0.255SS..Hα-helixtrans-55.4-46.1-167.200000114.4N120 L124 A125 E126 Y173N120-A122 VanDerWaalsContact C-N 3.3Å; N120-A122 PolarHBondContact O-N 3.47Å; N120-A122 VanDerWaalsContact O-N 3.13Å; A122-L124 VanDerWaalsContact C-N 3.34Å; A122-L124 PolarHBondContact O-N 3.33Å; A122-A125 PolarHBondContact O-N 3.47Å; A122-E126 PolarHBondContact O-N 3.44Å; A122-Y173 VanDerWaalsContact CA-OH 3.28Å; A122-Y173 WeakPolarHBondContact CA-OH 3.31Å; A122-Y173 WeakPolarHBondContact CB-OH 3.28Å
123E97.4Very high97.8Very high159 Ų15949 Ų4974%0.74325%0.254SS*.Hα-helixtrans-60.2-43.8179.6-66.9-176.517600112K121 H127K121-E123 PolarHBondContact O-N 2.89Å; E123-H127 PolarHBondContact O-N 2.9Å; E123-H127 PolarHBondContact O-ND1 2.88Å
124L98.2Very high97.8Very high83 Ų8355.3 Ų55.344%0.43528%0.283SS..Hα-helixtrans-69.3-36179.4-65.9177.8000112.2Y116 K121 A122 G128Y116-L124 HydrophobicContact CD1-CB 4.34Å; Y116-L124 HydrophobicContact CD1-CD1 4.19Å; Y116-L124 HydrophobicContact CD2-CB 3.52Å; Y116-L124 HydrophobicContact CE1-CD1 4.05Å; Y116-L124 HydrophobicContact CE2-CB 3.93Å; Y116-L124 HydrophobicContact CE2-CD1 4.44Å; Y116-L124 HydrophobicContact CG-CB 3.74Å; Y116-L124 HydrophobicContact CG-CD1 4.42Å; K121-L124 HydrophobicContact CB-CB 4.36Å; K121-L124 HydrophobicContact CB-CD1 4.29Å; K121-L124 HydrophobicContact CD-CD1 4.07Å; K121-L124 PolarHBondContact O-N 3.29Å; K121-L124 VanDerWaalsContact O-N 3.14Å; A122-L124 VanDerWaalsContact C-N 3.34Å; A122-L124 PolarHBondContact O-N 3.33Å; L124-G128 PolarHBondContact O-N 3.49Å
125A98.4Very high97.8Very high0 Ų055 Ų550%028%0.283CS..Hα-helixtrans-62.9-50.9175.300000110.9A117 K121 A122 H127 G128 F129 Y173A117-A125 HydrophobicContact CB-CB 4.1Å; K121-A125 PolarHBondContact O-N 3.35Å; A122-A125 PolarHBondContact O-N 3.47Å; A125-H127 PolarHBondContact O-N 2.64Å; A125-G128 PolarHBondContact O-N 2.91Å; A125-F129 HydrophobicContact CB-CD2 4.46Å; A125-F129 HydrophobicContact CB-CE2 4.25Å; A125-F129 WeakPolarHBondContact O-CD2 3.45Å; A125-F129 PolarHBondContact O-N 3.42Å; A125-Y173 HydrophobicContact CB-CE1 4.03Å; A125-Y173 HydrophobicContact CB-CE2 4.33Å
126E97.3Very high97.8Very high62 Ų6255 Ų5529%0.2928%0.283SS..Hα-helixtrans-60.1-45179-74.4-64.8169.600112.4A122 G128 F129 S130 Y173A122-E126 PolarHBondContact O-N 3.44Å; E126-G128 PolarHBondContact O-N 2.87Å; E126-F129 PolarHBondContact O-N 3.2Å; E126-S130 VanDerWaalsContact O-CB 3.31Å; E126-S130 WeakPolarHBondContact O-CB 3.49Å; E126-S130 PolarHBondContact O-N 3.2Å; E126-S130 PolarHBondContact O-OG 2.99Å; E126-Y173 HydrophobicContact CG-CE1 3.97Å; E126-Y173 WeakPolarHBondContact OE1-CE1 3.3Å
127H98.3Very high97.7Very high136 Ų13656.6 Ų56.663%0.6329%0.291SS*.Hα-helixtrans-62.1-44.3175.6-77.282.2000111.4E123 A125 S130 F131E123-H127 PolarHBondContact O-N 2.9Å; E123-H127 PolarHBondContact O-ND1 2.88Å; A125-H127 PolarHBondContact O-N 2.64Å; H127-S130 PolarHBondContact O-N 2.79Å; H127-F131 VanDerWaalsContact O-CB 3.32Å; H127-F131 WeakPolarHBondContact O-CB 3.49Å; H127-F131 PolarHBondContact O-N 3.2Å
128G98.4Very high97.6Very high15 Ų1556.7 Ų56.716%0.15529%0.294CS..Hα-helixtrans-62.1-46.2179.300000112.5L124 A125 E126 C132L124-G128 PolarHBondContact O-N 3.49Å; A125-G128 PolarHBondContact O-N 2.91Å; E126-G128 PolarHBondContact O-N 2.87Å; G128-C132 PolarHBondContact O-N 3.35Å; G128-C132 VanDerWaalsContact O-N 3.09Å; G128-C132 PolarHBondContact O-SG 3.09Å
129F98.7Very high97.5Very high2 Ų253.8 Ų53.81%0.00928%0.28CS..Hα-helixtrans-67-38.9177.3-70.1-58000112.7L110 A113 A117 A125 E126 C132 V133 R170 Y173L110-F129 HydrophobicContact CD1-CD1 4.04Å; L110-F129 HydrophobicContact CD1-CE1 3.89Å; A113-F129 HydrophobicContact CB-CD1 3.88Å; A113-F129 HydrophobicContact CB-CD2 4.3Å; A113-F129 HydrophobicContact CB-CE1 3.91Å; A113-F129 HydrophobicContact CB-CE2 4.32Å; A113-F129 HydrophobicContact CB-CG 4.06Å; A113-F129 HydrophobicContact CB-CZ 4.14Å; A117-F129 HydrophobicContact CB-CE2 4.39Å; A125-F129 HydrophobicContact CB-CD2 4.46Å; A125-F129 HydrophobicContact CB-CE2 4.25Å; A125-F129 WeakPolarHBondContact O-CD2 3.45Å; A125-F129 PolarHBondContact O-N 3.42Å; E126-F129 PolarHBondContact O-N 3.2Å; F129-C132 PolarHBondContact O-N 2.93Å; F129-V133 WeakPolarHBondContact O-CG2 3.4Å; F129-V133 PolarHBondContact O-N 2.94Å; F129-V133 VanDerWaalsContact O-N 3.11Å; F129-R170 HydrophobicContact CB-CB 4.09Å; F129-R170 HydrophobicContact CB-CG 3.8Å; F129-R170 HydrophobicContact CD1-CB 3.92Å; F129-R170 HydrophobicContact CD1-CG 4.46Å; F129-R170 HydrophobicContact CD2-CB 4.5Å; F129-R170 HydrophobicContact CD2-CG 4.28Å; F129-R170 HydrophobicContact CE1-CB 4.48Å; F129-R170 HydrophobicContact CG-CB 3.95Å; F129-R170 HydrophobicContact CG-CG 3.97Å; F129-Y173 AromaticContact CD2-CD1 3.79Å; F129-Y173 HydrophobicContact CD2-CD1 3.79Å; F129-Y173 HydrophobicContact CD2-CE1 4.44Å; F129-Y173 HydrophobicContact CD2-CG 4.31Å; F129-Y173 AromaticContact CE2-CD1 3.57Å; F129-Y173 HydrophobicContact CE2-CD1 3.57Å; F129-Y173 HydrophobicContact CE2-CD2 4.48Å; F129-Y173 HydrophobicContact CE2-CE1 4.37Å; F129-Y173 AromaticContact CE2-CG 3.63Å; F129-Y173 HydrophobicContact CE2-CG 3.63Å; F129-Y173 HydrophobicContact CZ-CG 4.47Å
130S98.4Very high97.3Very high34 Ų3453.1 Ų53.124%0.23828%0.277CS..Hα-helixtrans-64-47.8176.7-56.80000111E126 H127 C132 V133 E134E126-S130 VanDerWaalsContact O-CB 3.31Å; E126-S130 WeakPolarHBondContact O-CB 3.49Å; E126-S130 PolarHBondContact O-N 3.2Å; E126-S130 PolarHBondContact O-OG 2.99Å; H127-S130 PolarHBondContact O-N 2.79Å; S130-C132 VanDerWaalsContact C-N 3.32Å; S130-C132 PolarHBondContact O-N 3.44Å; S130-V133 PolarHBondContact O-N 3.08Å; S130-E134 WeakPolarHBondContact O-CB 3.43Å; S130-E134 VanDerWaalsContact O-CG 3.32Å; S130-E134 WeakPolarHBondContact O-CG 3.26Å; S130-E134 PolarHBondContact O-N 3.04Å
131F98.4Very high97.1Very high71 Ų7152.7 Ų52.731%0.31127%0.271SS..Hα-helixtrans-53.4-47.6174.4169.4-98.9000112.1I106 H127 S135I106-F131 HydrophobicContact CG1-CE1 4.38Å; H127-F131 VanDerWaalsContact O-CB 3.32Å; H127-F131 WeakPolarHBondContact O-CB 3.49Å; H127-F131 PolarHBondContact O-N 3.2Å; F131-S135 WeakPolarHBondContact CE2-OG 3.4Å; F131-S135 WeakPolarHBondContact O-CB 3.29Å; F131-S135 PolarHBondContact O-N 2.93Å; F131-S135 PolarHBondContact O-OG 3.41Å
132C98.8Very high96.6Very high0 Ų056.5 Ų56.50%029%0.287CS..Hα-helixtrans-62.1-48.5-179.1-64.80000111.9I106 L110 G128 F129 S130 L136 C166I106-C132 HydrophobicContact CG2-CB 3.88Å; L110-C132 PolarHBondContact N-SG 3.34Å; G128-C132 PolarHBondContact O-N 3.35Å; G128-C132 VanDerWaalsContact O-N 3.09Å; G128-C132 PolarHBondContact O-SG 3.09Å; F129-C132 PolarHBondContact O-N 2.93Å; S130-C132 VanDerWaalsContact C-N 3.32Å; S130-C132 PolarHBondContact O-N 3.44Å; C132-L136 WeakPolarHBondContact O-CD1 3.19Å; C132-L136 WeakPolarHBondContact O-CG 3.37Å; C132-L136 PolarHBondContact O-N 3.41Å; C132-C166 HydrophobicContact CB-CB 4.24Å
133V98.6Very high95.8Very high3 Ų356.8 Ų56.82%0.01828%0.281CS..Hα-helixtrans-67.7-48.7-177170.30000111.4F129 S130 S135 L136 E137 L163 C166 L167F129-V133 WeakPolarHBondContact O-CG2 3.4Å; F129-V133 PolarHBondContact O-N 2.94Å; F129-V133 VanDerWaalsContact O-N 3.11Å; S130-V133 PolarHBondContact O-N 3.08Å; V133-S135 PolarHBondContact O-N 3.2Å; V133-L136 PolarHBondContact O-N 3.37Å; V133-E137 HydrophobicContact CG1-CG 4.28Å; V133-E137 WeakPolarHBondContact O-CB 3.3Å; V133-E137 WeakPolarHBondContact O-CG 3.41Å; V133-E137 PolarHBondContact O-N 3.2Å; V133-L163 HydrophobicContact CB-CD1 4.34Å; V133-L163 HydrophobicContact CG1-CD1 4Å; V133-L163 HydrophobicContact CG2-CD1 4.27Å; V133-C166 HydrophobicContact CG2-CB 4Å; V133-L167 HydrophobicContact CG1-CD2 4.24Å; V133-L167 HydrophobicContact CG2-CD2 4.06Å; V133-L167 HydrophobicContact CG2-CG 4.37Å
134E98.1Very high94.4Very high131 Ų13154.6 Ų54.661%0.61228%0.279SS*.Hα-helixtrans-63.9-39.9-178.4-69.3172.4-166.800112S130 L136 G138S130-E134 WeakPolarHBondContact O-CB 3.43Å; S130-E134 VanDerWaalsContact O-CG 3.32Å; S130-E134 WeakPolarHBondContact O-CG 3.26Å; S130-E134 PolarHBondContact O-N 3.04Å; E134-L136 PolarHBondContact O-N 2.99Å; E134-G138 PolarHBondContact O-N 2.84Å
135S98.1Very high92.8Very high28 Ų2858.9 Ų58.920%0.19630%0.296CS..Hα-helixtrans-64.2-41.4178-59.80000111.8F131 V133 K139F131-S135 WeakPolarHBondContact CE2-OG 3.4Å; F131-S135 WeakPolarHBondContact O-CB 3.29Å; F131-S135 PolarHBondContact O-N 2.93Å; F131-S135 PolarHBondContact O-OG 3.41Å; V133-S135 PolarHBondContact O-N 3.2Å; S135-K139 VanDerWaalsContact O-CB 3.29Å; S135-K139 WeakPolarHBondContact O-CB 3.4Å; S135-K139 PolarHBondContact O-N 3.33Å
136L98.3Very high90.9Very high0 Ų064.8 Ų64.80%033%0.328CS..Hα-helixtrans-74.3-42.9-179.9-66.3167.9000112.3I106 C132 V133 E134 K139 L140 T159 L162 L163 C166I106-L136 HydrophobicContact CD1-CD2 3.59Å; I106-L136 HydrophobicContact CD1-CG 3.9Å; I106-L136 HydrophobicContact CG2-CD1 3.84Å; I106-L136 HydrophobicContact CG2-CD2 4.23Å; I106-L136 HydrophobicContact CG2-CG 3.98Å; C132-L136 WeakPolarHBondContact O-CD1 3.19Å; C132-L136 WeakPolarHBondContact O-CG 3.37Å; C132-L136 PolarHBondContact O-N 3.41Å; V133-L136 PolarHBondContact O-N 3.37Å; E134-L136 PolarHBondContact O-N 2.99Å; L136-K139 PolarHBondContact O-N 2.96Å; L136-L140 WeakPolarHBondContact O-CB 3.43Å; L136-L140 VanDerWaalsContact O-CG 3.31Å; L136-L140 WeakPolarHBondContact O-CG 3.26Å; L136-L140 PolarHBondContact O-N 3.24Å; L136-T159 HydrophobicContact CD2-CG2 3.7Å; L136-L162 HydrophobicContact CD1-CB 4.31Å; L136-L162 HydrophobicContact CD1-CD2 4.3Å; L136-L162 HydrophobicContact CD1-CG 3.86Å; L136-L162 HydrophobicContact CD2-CD2 3.98Å; L136-L162 HydrophobicContact CD2-CG 4.31Å; L136-L163 HydrophobicContact CB-CB 4.06Å; L136-L163 HydrophobicContact CB-CD1 4.16Å; L136-L163 HydrophobicContact CD1-CB 4.03Å; L136-L163 HydrophobicContact CD1-CD1 4.48Å; L136-C166 HydrophobicContact CD1-CB 4.49Å
137E96.8Very high88.9Confident59 Ų5968.1 Ų68.128%0.27635%0.353SS..Hα-helixtrans-58.3-49.5174.5-75.3-178.8151.700109.9V133 K139 L140 E141 L163 K189V133-E137 HydrophobicContact CG1-CG 4.28Å; V133-E137 WeakPolarHBondContact O-CB 3.3Å; V133-E137 WeakPolarHBondContact O-CG 3.41Å; V133-E137 PolarHBondContact O-N 3.2Å; E137-K139 VanDerWaalsContact C-N 3.29Å; E137-K139 PolarHBondContact O-N 2.78Å; E137-L140 PolarHBondContact O-N 3.35Å; E137-E141 WeakPolarHBondContact O-CG 3.3Å; E137-E141 PolarHBondContact O-N 3.11Å; E137-L163 HydrophobicContact CG-CD1 4.11Å; E137-L163 HydrophobicContact CG-CD2 3.84Å; E137-K189 IonicContact OE1-NZ 2.95Å; E137-K189 PolarHBondContact OE1-NZ 3.27Å
138G95.1Very high87.6Confident22 Ų2267.6 Ų67.623%0.22735%0.348CS..Hα-helixtrans-64.6-29178.100000114.3E134 K142E134-G138 PolarHBondContact O-N 2.84Å; G138-K142 WeakPolarHBondContact O-CD 3.38Å; G138-K142 WeakPolarHBondContact O-CG 3.25Å
139K93.4Very high87Confident28 Ų2870.4 Ų70.412%0.12236%0.362CS..Hα-helixtrans-72.8-41.4174-170.3173.4-173.1174.10111.7D101 N103 S135 L136 E137 K142 Q143 T159D101-K139 WeakPolarHBondContact O-CD 3.32Å; D101-K139 PolarHBondContact O-NZ 2.83Å; N103-K139 PolarHBondContact OD1-NZ 3.27Å; S135-K139 VanDerWaalsContact O-CB 3.29Å; S135-K139 WeakPolarHBondContact O-CB 3.4Å; S135-K139 PolarHBondContact O-N 3.33Å; L136-K139 PolarHBondContact O-N 2.96Å; E137-K139 VanDerWaalsContact C-N 3.29Å; E137-K139 PolarHBondContact O-N 2.78Å; K139-K142 PolarHBondContact O-N 2.92Å; K139-Q143 WeakPolarHBondContact O-CG 3.37Å; K139-Q143 PolarHBondContact O-N 3.13Å; K139-T159 HydrophobicContact CD-CG2 4.06Å; K139-T159 HydrophobicContact CG-CG2 4.39Å
140L93.3Very high86.4Confident21 Ų2178.8 Ų78.811%0.1140%0.402CS..Hα-helixtrans-68.3-37.9178.4-72.8165000112.1L136 E137 K142 Q143 T144 R156 T159 H160 L163L136-L140 WeakPolarHBondContact O-CB 3.43Å; L136-L140 VanDerWaalsContact O-CG 3.31Å; L136-L140 WeakPolarHBondContact O-CG 3.26Å; L136-L140 PolarHBondContact O-N 3.24Å; E137-L140 PolarHBondContact O-N 3.35Å; L140-K142 VanDerWaalsContact C-N 3.35Å; L140-K142 PolarHBondContact O-N 2.87Å; L140-Q143 PolarHBondContact O-N 2.82Å; L140-Q143 VanDerWaalsContact O-N 3.17Å; L140-T144 PolarHBondContact O-N 3.18Å; L140-R156 HydrophobicContact CD2-CG 4.1Å; L140-T159 HydrophobicContact CD1-CG2 4.47Å; L140-T159 HydrophobicContact CD2-CG2 3.97Å; L140-T159 HydrophobicContact CG-CG2 3.91Å; L140-H160 HydrophobicContact CD1-CB 4.43Å; L140-H160 HydrophobicContact CD2-CB 4.18Å; L140-L163 HydrophobicContact CD1-CB 4.45Å; L140-L163 HydrophobicContact CD1-CD2 3.73Å
141E91.4Very high85.8Confident139 Ų13985 Ų8565%0.6543%0.427SS*.Hα-helixtrans-56.3-49.1174.9-75.5175178.800111.3E137 Q143 T144E137-E141 WeakPolarHBondContact O-CG 3.3Å; E137-E141 PolarHBondContact O-N 3.11Å; E141-Q143 VanDerWaalsContact C-N 3.26Å; E141-Q143 PolarHBondContact O-N 2.77Å; E141-T144 PolarHBondContact O-N 3.43Å; E141-T144 PolarHBondContact O-OG1 3Å
142K87.5Confident85.3Confident150 Ų15086.1 Ų86.165%0.65243%0.433SS*.Hα-helixtrans-64.5-27.6178.5-64.7169.6-170.7170.70113.4G138 K139 L140 T144G138-K142 WeakPolarHBondContact O-CD 3.38Å; G138-K142 WeakPolarHBondContact O-CG 3.25Å; K139-K142 PolarHBondContact O-N 2.92Å; L140-K142 VanDerWaalsContact C-N 3.35Å; L140-K142 PolarHBondContact O-N 2.87Å; K142-T144 VanDerWaalsContact C-N 3.32Å
143Q80.1Confident84.8Confident50 Ų5089 Ų8923%0.23445%0.447CS..Hα-helixtrans-78.4-12.7-179.8-74.5174.9-200113.7K139 L140 E141 E145 R156K139-Q143 WeakPolarHBondContact O-CG 3.37Å; K139-Q143 PolarHBondContact O-N 3.13Å; L140-Q143 PolarHBondContact O-N 2.82Å; L140-Q143 VanDerWaalsContact O-N 3.17Å; E141-Q143 VanDerWaalsContact C-N 3.26Å; E141-Q143 PolarHBondContact O-N 2.77Å; Q143-E145 VanDerWaalsContact C-N 3.27Å; Q143-E145 PolarHBondContact O-N 3.4Å; Q143-R156 VanDerWaalsContact OE1-CB 3.31Å
144T66.4Low84.5Confident112 Ų11291.3 Ų91.369%0.68747%0.466SS*.THydrogen-bonded Turntrans-75-12.6-179.957.90000114.3L140 E141 K142L140-T144 PolarHBondContact O-N 3.18Å; E141-T144 PolarHBondContact O-N 3.43Å; E141-T144 PolarHBondContact O-OG1 3Å; K142-T144 VanDerWaalsContact C-N 3.32Å
145E64.7Low84.2Confident173 Ų17388.9 Ų88.981%0.80846%0.457SS*.SBendtrans-97.2-12.5-170.8-62.8-172.8157.600115Q143Q143-E145 VanDerWaalsContact C-N 3.27Å; Q143-E145 PolarHBondContact O-N 3.4Å
146D59Low84Confident124 Ų12489.9 Ų89.966%0.66346%0.456SS*.SBendtrans-115.2153.5-169.8-88.5-31.3000115.9K148D146-K148 PolarHBondContact O-N 3.05Å
147V55.2Low83.8Confident133 Ų13393.9 Ų93.981%0.80647%0.473SS*.  trans-59.8122.4-179.7178.70000111.3T149 Q152V147-T149 PolarHBondContact O-N 3.39Å; V147-Q152 PolarHBondContact O-OE1 3.11Å
148K70.8Confident83.8Confident125 Ų12595.6 Ų95.654%0.54349%0.485SS..  trans-83.7103-170.7-63.4172168.3-142.40112.7D146 E153D146-K148 PolarHBondContact O-N 3.05Å; K148-E153 WeakPolarHBondContact CD-OE2 3.31Å; K148-E153 VanDerWaalsContact CE-OE2 3.24Å; K148-E153 WeakPolarHBondContact CE-OE2 3.27Å; K148-E153 IonicContact NZ-OE1 3.53Å; K148-E153 IonicContact NZ-OE2 2.72Å; K148-E153 PolarHBondContact NZ-OE2 3.49Å
149T85.4Confident83.9Confident73 Ų7394.5 Ų94.545%0.44847%0.474SS..  trans-69.7155.5156.260.30000109.8V147 Q151 Q152 E153V147-T149 PolarHBondContact O-N 3.39Å; T149-Q151 PolarHBondContact O-N 2.88Å; T149-Q152 PolarHBondContact O-N 3.21Å; T149-Q152 VanDerWaalsContact O-N 3.08Å; T149-Q152 WeakPolarHBondContact OG1-CB 3.45Å; T149-Q152 VanDerWaalsContact OG1-CD 3.26Å; T149-Q152 VanDerWaalsContact OG1-CG 3.27Å; T149-Q152 WeakPolarHBondContact OG1-CG 3.26Å; T149-Q152 PolarHBondContact OG1-N 2.61Å; T149-Q152 PolarHBondContact OG1-OE1 3.14Å; T149-E153 PolarHBondContact O-N 3.46Å
150E86.6Confident84.1Confident178 Ų17894.4 Ų94.483%0.83247%0.473SS*.Hα-helixtrans-55.5-35176.6-69-179.517100112.4A154E150-A154 WeakPolarHBondContact O-CB 3.34Å; E150-A154 PolarHBondContact O-N 2.96Å
151Q86.4Confident84.3Confident166 Ų16695 Ų9578%0.77648%0.477SS*.Hα-helixtrans-68.7-39.9177.3-68.1176.8-1400112.5T149 A154 L155T149-Q151 PolarHBondContact O-N 2.88Å; Q151-A154 PolarHBondContact O-N 3.02Å; Q151-L155 WeakPolarHBondContact O-CB 3.33Å; Q151-L155 PolarHBondContact O-N 3.45Å
152Q86.8Confident84.6Confident94 Ų9489.2 Ų89.244%0.43945%0.45SS..Hα-helixtrans-69-38.1176.4-75.5164.4-40.600111.8V147 T149 L155 R156V147-Q152 PolarHBondContact O-OE1 3.11Å; T149-Q152 PolarHBondContact O-N 3.21Å; T149-Q152 VanDerWaalsContact O-N 3.08Å; T149-Q152 WeakPolarHBondContact OG1-CB 3.45Å; T149-Q152 VanDerWaalsContact OG1-CD 3.26Å; T149-Q152 VanDerWaalsContact OG1-CG 3.27Å; T149-Q152 WeakPolarHBondContact OG1-CG 3.26Å; T149-Q152 PolarHBondContact OG1-N 2.61Å; T149-Q152 PolarHBondContact OG1-OE1 3.14Å; Q152-L155 PolarHBondContact O-N 3.31Å; Q152-R156 VanDerWaalsContact O-CB 3.3Å; Q152-R156 WeakPolarHBondContact O-CB 3.42Å; Q152-R156 PolarHBondContact O-N 3.28Å
153E89.4Confident85.2Confident61 Ų6182.5 Ų82.529%0.28542%0.421SS..Hα-helixtrans-66.9-40.6175.8-172.261.9-162.800111.6K148 T149 R156 K157K148-E153 WeakPolarHBondContact CD-OE2 3.31Å; K148-E153 VanDerWaalsContact CE-OE2 3.24Å; K148-E153 WeakPolarHBondContact CE-OE2 3.27Å; K148-E153 IonicContact NZ-OE1 3.53Å; K148-E153 IonicContact NZ-OE2 2.72Å; K148-E153 PolarHBondContact NZ-OE2 3.49Å; T149-E153 PolarHBondContact O-N 3.46Å; E153-R156 PolarHBondContact O-N 3.1Å; E153-R156 IonicContact OE1-NH1 3.84Å; E153-K157 WeakPolarHBondContact O-CB 3.5Å; E153-K157 PolarHBondContact O-N 3.24Å
154A91.7Very high86.1Confident51 Ų5180.5 Ų80.542%0.42142%0.415SS..Hα-helixtrans-59.6-47.6173.700000111.5E150 Q151 R156 K157 D158E150-A154 WeakPolarHBondContact O-CB 3.34Å; E150-A154 PolarHBondContact O-N 2.96Å; Q151-A154 PolarHBondContact O-N 3.02Å; A154-R156 PolarHBondContact O-N 3.37Å; A154-K157 WeakPolarHBondContact O-CB 3.36Å; A154-K157 PolarHBondContact O-N 3.2Å; A154-D158 PolarHBondContact O-N 3.43Å
155L92Very high87.6Confident80 Ų8079.1 Ų79.142%0.41940%0.402SS..Hα-helixtrans-63.3-39.8177-179.962000112.4Q151 Q152 D158 T159Q151-L155 WeakPolarHBondContact O-CB 3.33Å; Q151-L155 PolarHBondContact O-N 3.45Å; Q152-L155 PolarHBondContact O-N 3.31Å; L155-D158 PolarHBondContact O-N 2.92Å; L155-T159 WeakPolarHBondContact O-CB 3.46Å; L155-T159 PolarHBondContact O-N 3.34Å; L155-T159 PolarHBondContact O-OG1 3.27Å
156R93.5Very high89.2Confident49 Ų4970.9 Ų70.919%0.18536%0.364CS..Hα-helixtrans-61.7-44.7175.5177.4-90.7-173.4-166.9-9.6110.7L140 Q143 Q152 E153 A154 T159 H160 E197L140-R156 HydrophobicContact CD2-CG 4.1Å; Q143-R156 VanDerWaalsContact OE1-CB 3.31Å; Q152-R156 VanDerWaalsContact O-CB 3.3Å; Q152-R156 WeakPolarHBondContact O-CB 3.42Å; Q152-R156 PolarHBondContact O-N 3.28Å; E153-R156 PolarHBondContact O-N 3.1Å; E153-R156 IonicContact OE1-NH1 3.84Å; A154-R156 PolarHBondContact O-N 3.37Å; R156-T159 WeakPolarHBondContact O-CB 3.47Å; R156-T159 PolarHBondContact O-N 3.28Å; R156-H160 WeakPolarHBondContact O-CB 3.47Å; R156-H160 PolarHBondContact O-N 3.14Å; R156-E197 IonicContact CZ-OE1 3.63Å; R156-E197 IonicContact NH1-OE1 2.74Å; R156-E197 PolarHBondContact NH1-OE1 2.87Å; R156-E197 IonicContact NH1-OE2 3.74Å; R156-E197 IonicContact NH2-OE1 3.89Å
157K94.8Very high91.1Very high83 Ų8365 Ų6536%0.36133%0.332SS..Hα-helixtrans-60-47175.1176.4167.6-173.3171.50111.8E153 A154 T159 H160 L161 E197E153-K157 WeakPolarHBondContact O-CB 3.5Å; E153-K157 PolarHBondContact O-N 3.24Å; A154-K157 WeakPolarHBondContact O-CB 3.36Å; A154-K157 PolarHBondContact O-N 3.2Å; K157-T159 VanDerWaalsContact C-N 3.31Å; K157-T159 PolarHBondContact O-N 2.88Å; K157-H160 PolarHBondContact O-N 3.48Å; K157-L161 HydrophobicContact CG-CD1 4.14Å; K157-L161 WeakPolarHBondContact O-CG 3.28Å; K157-L161 PolarHBondContact O-N 3.01Å; K157-E197 WeakPolarHBondContact CE-O 3.31Å; K157-E197 HydrophobicContact CG-CB 4.44Å; K157-E197 WeakPolarHBondContact CG-OE2 3.46Å; K157-E197 PolarHBondContact NZ-O 3.04Å
158D95.6Very high93.2Very high95 Ų9558.9 Ų58.951%0.50830%0.295SS..Hα-helixtrans-61.8-39.8177.2-70.6-16000111.8A154 L155 L161 L162A154-D158 PolarHBondContact O-N 3.43Å; L155-D158 PolarHBondContact O-N 2.92Å; D158-L161 PolarHBondContact O-N 3.34Å; D158-L162 WeakPolarHBondContact O-CB 3.39Å; D158-L162 PolarHBondContact O-N 3.49Å
159T97.3Very high94.5Very high0 Ų053.8 Ų53.80%028%0.275CS..Hα-helixtrans-63.6-43175.6-52.90000111.1N103 L136 K139 L140 L155 R156 K157 L162 L163N103-T159 WeakPolarHBondContact ND2-CA 3.48Å; N103-T159 PolarHBondContact ND2-N 2.84Å; N103-T159 PolarHBondContact ND2-OG1 3.26Å; N103-T159 PolarHBondContact OD1-OG1 3.06Å; L136-T159 HydrophobicContact CD2-CG2 3.7Å; K139-T159 HydrophobicContact CD-CG2 4.06Å; K139-T159 HydrophobicContact CG-CG2 4.39Å; L140-T159 HydrophobicContact CD1-CG2 4.47Å; L140-T159 HydrophobicContact CD2-CG2 3.97Å; L140-T159 HydrophobicContact CG-CG2 3.91Å; L155-T159 WeakPolarHBondContact O-CB 3.46Å; L155-T159 PolarHBondContact O-N 3.34Å; L155-T159 PolarHBondContact O-OG1 3.27Å; R156-T159 WeakPolarHBondContact O-CB 3.47Å; R156-T159 PolarHBondContact O-N 3.28Å; K157-T159 VanDerWaalsContact C-N 3.31Å; K157-T159 PolarHBondContact O-N 2.88Å; T159-L162 PolarHBondContact O-N 2.91Å; T159-L163 PolarHBondContact O-N 3.02Å
160H97.3Very high95.1Very high25 Ų2551.4 Ų51.412%0.11626%0.258CS..Hα-helixtrans-65.9-43.5178.7-158.5-159.2000111.4L140 R156 K157 L162 L163 G164 I193 E197L140-H160 HydrophobicContact CD1-CB 4.43Å; L140-H160 HydrophobicContact CD2-CB 4.18Å; R156-H160 WeakPolarHBondContact O-CB 3.47Å; R156-H160 PolarHBondContact O-N 3.14Å; K157-H160 PolarHBondContact O-N 3.48Å; H160-L162 PolarHBondContact O-N 3.02Å; H160-L163 WeakPolarHBondContact O-CB 3.35Å; H160-L163 PolarHBondContact O-N 3Å; H160-L163 VanDerWaalsContact O-N 3.16Å; H160-G164 PolarHBondContact O-N 3Å; H160-I193 WeakPolarHBondContact NE2-CG1 3.31Å; H160-I193 WeakPolarHBondContact O-CG2 3.44Å; H160-E197 HydrophobicContact CB-CG 4.23Å; H160-E197 IonicContact CE1-OE1 3.65Å; H160-E197 IonicContact CG-OE1 3.87Å; H160-E197 WeakPolarHBondContact ND1-CG 3.39Å; H160-E197 IonicContact ND1-OE1 2.81Å; H160-E197 PolarHBondContact ND1-OE1 3.24Å
161L98.3Very high95.7Very high34 Ų3442.9 Ų42.918%0.17822%0.219CC..Hα-helixtrans-62.8-40.6174.9-71.9173.9000112.5K157 D158 L163 G164 L165 E197 Q198K157-L161 HydrophobicContact CG-CD1 4.14Å; K157-L161 WeakPolarHBondContact O-CG 3.28Å; K157-L161 PolarHBondContact O-N 3.01Å; D158-L161 PolarHBondContact O-N 3.34Å; L161-L163 VanDerWaalsContact C-N 3.28Å; L161-L163 PolarHBondContact O-N 2.67Å; L161-G164 PolarHBondContact O-N 2.84Å; L161-G164 VanDerWaalsContact O-N 3.16Å; L161-L165 WeakPolarHBondContact O-CG 3.41Å; L161-L165 PolarHBondContact O-N 3Å; L161-E197 HydrophobicContact CD2-CB 3.67Å; L161-E197 HydrophobicContact CD2-CG 4.33Å; L161-E197 HydrophobicContact CG-CB 4.05Å; L161-E197 HydrophobicContact CG-CG 4.45Å; L161-Q198 HydrophobicContact CD2-CG 3.89Å
162L98.7Very high96.3Very high17 Ų1740.4 Ų40.49%0.08920%0.202CC..Hα-helixtrans-62.5-36.2174.4-177.358.8000111.8N103 I106 E107 L136 D158 T159 H160 L165 C166N103-L162 HydrophobicContact CB-CD2 3.82Å; N103-L162 WeakPolarHBondContact O-CD2 3.29Å; I106-L162 HydrophobicContact CB-CD2 4.26Å; I106-L162 HydrophobicContact CG2-CD2 4.16Å; E107-L162 HydrophobicContact CB-CD1 4.47Å; L136-L162 HydrophobicContact CD1-CB 4.31Å; L136-L162 HydrophobicContact CD1-CD2 4.3Å; L136-L162 HydrophobicContact CD1-CG 3.86Å; L136-L162 HydrophobicContact CD2-CD2 3.98Å; L136-L162 HydrophobicContact CD2-CG 4.31Å; D158-L162 WeakPolarHBondContact O-CB 3.39Å; D158-L162 PolarHBondContact O-N 3.49Å; T159-L162 PolarHBondContact O-N 2.91Å; H160-L162 PolarHBondContact O-N 3.02Å; L162-L165 PolarHBondContact O-N 3.39Å; L162-C166 PolarHBondContact O-N 3.25Å; L162-C166 PolarHBondContact O-SG 3.37Å
163L98.8Very high96.8Very high9 Ų936.7 Ų36.75%0.04718%0.184CC..Hα-helixtrans-62.8-44.2173.3174.560.5000110.9V133 L136 E137 L140 T159 H160 L161 L165 C166 L167 I193V133-L163 HydrophobicContact CB-CD1 4.34Å; V133-L163 HydrophobicContact CG1-CD1 4Å; V133-L163 HydrophobicContact CG2-CD1 4.27Å; L136-L163 HydrophobicContact CB-CB 4.06Å; L136-L163 HydrophobicContact CB-CD1 4.16Å; L136-L163 HydrophobicContact CD1-CB 4.03Å; L136-L163 HydrophobicContact CD1-CD1 4.48Å; E137-L163 HydrophobicContact CG-CD1 4.11Å; E137-L163 HydrophobicContact CG-CD2 3.84Å; L140-L163 HydrophobicContact CD1-CB 4.45Å; L140-L163 HydrophobicContact CD1-CD2 3.73Å; T159-L163 PolarHBondContact O-N 3.02Å; H160-L163 WeakPolarHBondContact O-CB 3.35Å; H160-L163 PolarHBondContact O-N 3Å; H160-L163 VanDerWaalsContact O-N 3.16Å; L161-L163 VanDerWaalsContact C-N 3.28Å; L161-L163 PolarHBondContact O-N 2.67Å; L163-L165 VanDerWaalsContact C-N 3.3Å; L163-L165 PolarHBondContact O-N 3.22Å; L163-C166 PolarHBondContact O-N 2.93Å; L163-L167 HydrophobicContact CD1-CD1 3.98Å; L163-L167 HydrophobicContact CD1-CG 4.07Å; L163-L167 HydrophobicContact CG-CD1 3.89Å; L163-L167 HydrophobicContact CG-CG 4.45Å; L163-L167 VanDerWaalsContact O-CG 3.32Å; L163-L167 WeakPolarHBondContact O-CG 3.31Å; L163-L167 PolarHBondContact O-N 3.47Å; L163-I193 HydrophobicContact CB-CD1 4.19Å; L163-I193 HydrophobicContact CD2-CD1 3.86Å; L163-I193 HydrophobicContact CG-CD1 3.74Å
164G98.7Very high97.2Very high9 Ų934.9 Ų34.99%0.09318%0.175CC..Hα-helixtrans-55.3-43.9173.300000112.7H160 L161 L167 D168H160-G164 PolarHBondContact O-N 3Å; L161-G164 PolarHBondContact O-N 2.84Å; L161-G164 VanDerWaalsContact O-N 3.16Å; G164-L167 PolarHBondContact O-N 3Å; G164-D168 WeakPolarHBondContact O-CB 3.35Å; G164-D168 PolarHBondContact O-N 3.46Å
165L98.6Very high97.5Very high82 Ų8234.3 Ų34.343%0.42917%0.166SC..Hα-helixtrans-66.6-36.7176.8-67.9174000113.5L110 L161 L162 L163 S169L110-L165 HydrophobicContact CD2-CB 4.43Å; L161-L165 WeakPolarHBondContact O-CG 3.41Å; L161-L165 PolarHBondContact O-N 3Å; L162-L165 PolarHBondContact O-N 3.39Å; L163-L165 VanDerWaalsContact C-N 3.3Å; L163-L165 PolarHBondContact O-N 3.22Å; L165-S169 WeakPolarHBondContact O-CB 3.37Å; L165-S169 PolarHBondContact O-N 2.91Å; L165-S169 PolarHBondContact O-OG 2.74Å
166C98.8Very high97.6Very high0 Ų034.4 Ų34.40%017%0.173CC..Hα-helixtrans-66.1-44.6176-66.80000111L110 C132 V133 L136 L162 L163 S169 R170L110-C166 HydrophobicContact CD1-CB 4.32Å; C132-C166 HydrophobicContact CB-CB 4.24Å; V133-C166 HydrophobicContact CG2-CB 4Å; L136-C166 HydrophobicContact CD1-CB 4.49Å; L162-C166 PolarHBondContact O-N 3.25Å; L162-C166 PolarHBondContact O-SG 3.37Å; L163-C166 PolarHBondContact O-N 2.93Å; C166-S169 PolarHBondContact O-N 3.35Å; C166-R170 WeakPolarHBondContact O-CB 3.46Å; C166-R170 PolarHBondContact O-N 3.34Å
167L98.9Very high97.7Very high1 Ų139.3 Ų39.31%0.00519%0.192CC..Hα-helixtrans-63.9-45.7177.4-70.7165.1000111.4V133 L163 G164 S169 R170 A171 D186 K189 A190 I193V133-L167 HydrophobicContact CG1-CD2 4.24Å; V133-L167 HydrophobicContact CG2-CD2 4.06Å; V133-L167 HydrophobicContact CG2-CG 4.37Å; L163-L167 HydrophobicContact CD1-CD1 3.98Å; L163-L167 HydrophobicContact CD1-CG 4.07Å; L163-L167 HydrophobicContact CG-CD1 3.89Å; L163-L167 HydrophobicContact CG-CG 4.45Å; L163-L167 VanDerWaalsContact O-CG 3.32Å; L163-L167 WeakPolarHBondContact O-CG 3.31Å; L163-L167 PolarHBondContact O-N 3.47Å; G164-L167 PolarHBondContact O-N 3Å; L167-S169 PolarHBondContact O-N 3.26Å; L167-R170 PolarHBondContact O-N 2.98Å; L167-A171 VanDerWaalsContact O-CB 3.3Å; L167-A171 WeakPolarHBondContact O-CB 3.3Å; L167-A171 PolarHBondContact O-N 3.44Å; L167-D186 HydrophobicContact CB-CB 4.4Å; L167-D186 HydrophobicContact CD2-CB 4.31Å; L167-D186 WeakPolarHBondContact CD2-OD1 3.42Å; L167-K189 HydrophobicContact CD1-CB 3.67Å; L167-K189 HydrophobicContact CD1-CD 4.37Å; L167-K189 HydrophobicContact CD2-CD 4.4Å; L167-A190 HydrophobicContact CB-CB 3.94Å; L167-I193 HydrophobicContact CD1-CD1 3.82Å
168D98.6Very high97.8Very high4 Ų442.8 Ų42.82%0.02121%0.211CC..Hα-helixtrans-56.3-50.4174.8173.432.6000112G164 R170 A171 R172 Y187 L208G164-D168 WeakPolarHBondContact O-CB 3.35Å; G164-D168 PolarHBondContact O-N 3.46Å; D168-R170 PolarHBondContact O-N 2.95Å; D168-A171 WeakPolarHBondContact O-CB 3.38Å; D168-A171 PolarHBondContact O-N 2.97Å; D168-R172 VanDerWaalsContact CG-NH1 3.27Å; D168-R172 VanDerWaalsContact CG-NH2 3.32Å; D168-R172 PolarHBondContact O-N 3.34Å; D168-R172 IonicContact OD1-CZ 2.83Å; D168-R172 IonicContact OD1-NH1 2.82Å; D168-R172 PolarHBondContact OD1-NH1 2.94Å; D168-R172 IonicContact OD1-NH2 3.73Å; D168-R172 IonicContact OD2-CZ 3.7Å; D168-R172 IonicContact OD2-NH1 3.42Å; D168-R172 PolarHBondContact OD2-NH1 3.33Å; D168-R172 IonicContact OD2-NH2 2.8Å; D168-R172 PolarHBondContact OD2-NH2 3.37Å; D168-Y187 WeakPolarHBondContact OD1-CE1 3.29Å; D168-L208 HydrophobicContact CB-CD2 4.1Å
169S98.5Very high97.8Very high19 Ų1941.3 Ų41.313%0.13320%0.203CC..Hα-helixtrans-64.8-39.6179-59.10000113L165 C166 L167 R172 Y173L165-S169 WeakPolarHBondContact O-CB 3.37Å; L165-S169 PolarHBondContact O-N 2.91Å; L165-S169 PolarHBondContact O-OG 2.74Å; C166-S169 PolarHBondContact O-N 3.35Å; L167-S169 PolarHBondContact O-N 3.26Å; S169-R172 PolarHBondContact O-N 3.36Å; S169-R172 PolarHBondContact OG-NH2 3Å; S169-Y173 PolarHBondContact O-N 3.17Å; S169-Y173 VanDerWaalsContact O-N 3.14Å
170R98.7Very high97.9Very high22 Ų2242.9 Ų42.98%0.08321%0.211CC..Hα-helixtrans-66.7-37.5174.9-172.6174.868.7-169.1-1.1111.5F129 C166 L167 D168 Y173 R174 D186F129-R170 HydrophobicContact CB-CB 4.09Å; F129-R170 HydrophobicContact CB-CG 3.8Å; F129-R170 HydrophobicContact CD1-CB 3.92Å; F129-R170 HydrophobicContact CD1-CG 4.46Å; F129-R170 HydrophobicContact CD2-CB 4.5Å; F129-R170 HydrophobicContact CD2-CG 4.28Å; F129-R170 HydrophobicContact CE1-CB 4.48Å; F129-R170 HydrophobicContact CG-CB 3.95Å; F129-R170 HydrophobicContact CG-CG 3.97Å; C166-R170 WeakPolarHBondContact O-CB 3.46Å; C166-R170 PolarHBondContact O-N 3.34Å; L167-R170 PolarHBondContact O-N 2.98Å; D168-R170 PolarHBondContact O-N 2.95Å; R170-Y173 WeakPolarHBondContact O-CB 3.5Å; R170-Y173 PolarHBondContact O-N 2.93Å; R170-R174 WeakPolarHBondContact O-CG 3.46Å; R170-R174 PolarHBondContact O-N 2.98Å; R170-D186 WeakPolarHBondContact CG-OD2 3.46Å; R170-D186 IonicContact CZ-OD1 3.49Å; R170-D186 IonicContact CZ-OD2 3.69Å; R170-D186 IonicContact NE-OD1 2.91Å; R170-D186 PolarHBondContact NE-OD1 3.31Å; R170-D186 IonicContact NE-OD2 4Å; R170-D186 PolarHBondContact NE-OD2 3.46Å; R170-D186 IonicContact NH2-OD1 2.72Å; R170-D186 PolarHBondContact NH2-OD1 3.32Å; R170-D186 IonicContact NH2-OD2 3.69Å
171A98.6Very high97.9Very high0 Ų046.9 Ų46.90%023%0.233CC..Hα-helixtrans-60.2-51.2175.500000110.4L167 D168 Y173 R174 V175 D186 Y187L167-A171 VanDerWaalsContact O-CB 3.3Å; L167-A171 WeakPolarHBondContact O-CB 3.3Å; L167-A171 PolarHBondContact O-N 3.44Å; D168-A171 WeakPolarHBondContact O-CB 3.38Å; D168-A171 PolarHBondContact O-N 2.97Å; A171-Y173 VanDerWaalsContact C-N 3.27Å; A171-Y173 PolarHBondContact O-N 3.38Å; A171-R174 WeakPolarHBondContact O-CB 3.25Å; A171-R174 PolarHBondContact O-N 3.46Å; A171-V175 VanDerWaalsContact O-CG2 3.31Å; A171-V175 WeakPolarHBondContact O-CG2 3.24Å; A171-V175 PolarHBondContact O-N 3.14Å; A171-D186 HydrophobicContact CB-CB 3.69Å; A171-Y187 HydrophobicContact CB-CD1 3.8Å; A171-Y187 HydrophobicContact CB-CD2 3.64Å; A171-Y187 HydrophobicContact CB-CE1 3.69Å; A171-Y187 HydrophobicContact CB-CE2 3.52Å; A171-Y187 HydrophobicContact CB-CG 3.77Å
172R98.1Very high97.9Very high114 Ų11448.1 Ų48.143%0.4324%0.239SC..Hα-helixtrans-53.4-43.5174.6-76.2-170-75.9-100.2-6.6112.6D168 S169 V175 S176 Y187D168-R172 VanDerWaalsContact CG-NH1 3.27Å; D168-R172 VanDerWaalsContact CG-NH2 3.32Å; D168-R172 PolarHBondContact O-N 3.34Å; D168-R172 IonicContact OD1-CZ 2.83Å; D168-R172 IonicContact OD1-NH1 2.82Å; D168-R172 PolarHBondContact OD1-NH1 2.94Å; D168-R172 IonicContact OD1-NH2 3.73Å; D168-R172 IonicContact OD2-CZ 3.7Å; D168-R172 IonicContact OD2-NH1 3.42Å; D168-R172 PolarHBondContact OD2-NH1 3.33Å; D168-R172 IonicContact OD2-NH2 2.8Å; D168-R172 PolarHBondContact OD2-NH2 3.37Å; S169-R172 PolarHBondContact O-N 3.36Å; S169-R172 PolarHBondContact OG-NH2 3Å; R172-V175 PolarHBondContact O-N 2.94Å; R172-S176 PolarHBondContact O-N 3.38Å; R172-Y187 VanDerWaalsContact CG-OH 3.25Å; R172-Y187 WeakPolarHBondContact CG-OH 3.44Å
173Y97.9Very high97.9Very high16 Ų1647.3 Ų47.36%0.06324%0.235CC..Hα-helixtrans-62.1-46.6175.1177.3-121.4000112.4A117 A122 A125 E126 F129 S169 R170 A171 V175 S176 R177A117-Y173 HydrophobicContact CB-CD2 3.43Å; A117-Y173 VanDerWaalsContact CB-CD2 3.43Å; A117-Y173 HydrophobicContact CB-CE2 3.73Å; A117-Y173 HydrophobicContact CB-CG 4.13Å; A122-Y173 VanDerWaalsContact CA-OH 3.28Å; A122-Y173 WeakPolarHBondContact CA-OH 3.31Å; A122-Y173 WeakPolarHBondContact CB-OH 3.28Å; A125-Y173 HydrophobicContact CB-CE1 4.03Å; A125-Y173 HydrophobicContact CB-CE2 4.33Å; E126-Y173 HydrophobicContact CG-CE1 3.97Å; E126-Y173 WeakPolarHBondContact OE1-CE1 3.3Å; F129-Y173 AromaticContact CD2-CD1 3.79Å; F129-Y173 HydrophobicContact CD2-CD1 3.79Å; F129-Y173 HydrophobicContact CD2-CE1 4.44Å; F129-Y173 HydrophobicContact CD2-CG 4.31Å; F129-Y173 AromaticContact CE2-CD1 3.57Å; F129-Y173 HydrophobicContact CE2-CD1 3.57Å; F129-Y173 HydrophobicContact CE2-CD2 4.48Å; F129-Y173 HydrophobicContact CE2-CE1 4.37Å; F129-Y173 AromaticContact CE2-CG 3.63Å; F129-Y173 HydrophobicContact CE2-CG 3.63Å; F129-Y173 HydrophobicContact CZ-CG 4.47Å; S169-Y173 PolarHBondContact O-N 3.17Å; S169-Y173 VanDerWaalsContact O-N 3.14Å; R170-Y173 WeakPolarHBondContact O-CB 3.5Å; R170-Y173 PolarHBondContact O-N 2.93Å; A171-Y173 VanDerWaalsContact C-N 3.27Å; A171-Y173 PolarHBondContact O-N 3.38Å; Y173-V175 VanDerWaalsContact C-N 3.32Å; Y173-V175 PolarHBondContact O-N 3.24Å; Y173-S176 WeakPolarHBondContact O-CB 3.38Å; Y173-S176 PolarHBondContact O-N 3.4Å; Y173-S176 VanDerWaalsContact O-N 3.14Å; Y173-S176 PolarHBondContact O-OG 3.36Å; Y173-R177 HydrophobicContact CD2-CG 4.49Å; Y173-R177 HydrophobicContact CE1-CG 4.4Å; Y173-R177 HydrophobicContact CE2-CG 4.05Å; Y173-R177 WeakPolarHBondContact O-CG 3.3Å; Y173-R177 PolarHBondContact O-N 3.1Å
174R98.1Very high97.8Very high23 Ų2346.9 Ų46.99%0.08723%0.233CC..Hα-helixtrans-62-36.3176.9-74.9171.6170.9178.4-5.4113R170 A171 S176 R177 M178 D179 A183 D186R170-R174 WeakPolarHBondContact O-CG 3.46Å; R170-R174 PolarHBondContact O-N 2.98Å; A171-R174 WeakPolarHBondContact O-CB 3.25Å; A171-R174 PolarHBondContact O-N 3.46Å; R174-S176 PolarHBondContact O-N 3.06Å; R174-R177 CarbonylContact O-C 3.58Å; R174-R177 WeakPolarHBondContact O-CA 3.37Å; R174-R177 WeakPolarHBondContact O-CB 3.41Å; R174-R177 PolarHBondContact O-N 3.19Å; R174-M178 PolarHBondContact O-N 3.24Å; R174-M178 VanDerWaalsContact O-N 3.11Å; R174-D179 HydrophobicContact CB-CB 4.26Å; R174-D179 PolarHBondContact O-N 3.4Å; R174-A183 HydrophobicContact CB-CB 3.9Å; R174-D186 IonicContact CZ-OD2 3.9Å; R174-D186 IonicContact NE-OD2 3.34Å; R174-D186 IonicContact NH1-OD1 2.72Å; R174-D186 PolarHBondContact NH1-OD1 3.4Å; R174-D186 VanDerWaalsContact NH1-OD1 3.1Å; R174-D186 IonicContact NH1-OD2 3.68Å; R174-D186 PolarHBondContact NH1-OD2 2.88Å
175V97.2Very high97.8Very high38 Ų3850.9 Ų50.923%0.2325%0.249CC..Hα-helixtrans-59.4-46.9172.5176.90000111A171 R172 Y173 R177 M178 A183 Y187 I215A171-V175 VanDerWaalsContact O-CG2 3.31Å; A171-V175 WeakPolarHBondContact O-CG2 3.24Å; A171-V175 PolarHBondContact O-N 3.14Å; R172-V175 PolarHBondContact O-N 2.94Å; Y173-V175 VanDerWaalsContact C-N 3.32Å; Y173-V175 PolarHBondContact O-N 3.24Å; V175-R177 PolarHBondContact O-N 2.94Å; V175-R177 VanDerWaalsContact O-N 3.13Å; V175-M178 PolarHBondContact O-N 2.98Å; V175-A183 HydrophobicContact CG2-CB 3.68Å; V175-Y187 HydrophobicContact CG2-CE2 4.07Å; V175-I215 HydrophobicContact CB-CD1 4.47Å; V175-I215 HydrophobicContact CG1-CD1 4.22Å; V175-I215 HydrophobicContact CG2-CD1 3.38Å; V175-I215 HydrophobicContact CG2-CG1 4.24Å
176S95.6Very high97.8Very high82 Ų8247.1 Ų47.157%0.57323%0.229SC*.Hα-helixtrans-61.4-22.3176.379.40000113.5R172 Y173 R174R172-S176 PolarHBondContact O-N 3.38Å; Y173-S176 WeakPolarHBondContact O-CB 3.38Å; Y173-S176 PolarHBondContact O-N 3.4Å; Y173-S176 VanDerWaalsContact O-N 3.14Å; Y173-S176 PolarHBondContact O-OG 3.36Å; R174-S176 PolarHBondContact O-N 3.06Å
177R95.4Very high97.8Very high153 Ų15347.6 Ų47.658%0.57723%0.231SC*.THydrogen-bonded Turntrans-92.2-0.4176.1-66-64.3-53.8134.610.8113.2Y173 R174 V175 D179Y173-R177 HydrophobicContact CD2-CG 4.49Å; Y173-R177 HydrophobicContact CE1-CG 4.4Å; Y173-R177 HydrophobicContact CE2-CG 4.05Å; Y173-R177 WeakPolarHBondContact O-CG 3.3Å; Y173-R177 PolarHBondContact O-N 3.1Å; R174-R177 CarbonylContact O-C 3.58Å; R174-R177 WeakPolarHBondContact O-CA 3.37Å; R174-R177 WeakPolarHBondContact O-CB 3.41Å; R174-R177 PolarHBondContact O-N 3.19Å; V175-R177 PolarHBondContact O-N 2.94Å; V175-R177 VanDerWaalsContact O-N 3.13Å; R177-D179 PolarHBondContact O-N 3.45Å
178M95.4Very high97.8Very high156 Ų15651.9 Ų51.977%0.76825%0.247SC*.THydrogen-bonded Turntrans62.621.8-173.9-57.8-71.7173.200114.2R174 V175 L180R174-M178 PolarHBondContact O-N 3.24Å; R174-M178 VanDerWaalsContact O-N 3.11Å; V175-M178 PolarHBondContact O-N 2.98Å; M178-L180 VanDerWaalsContact C-N 3.31Å; M178-L180 PolarHBondContact O-N 3.36Å
179D97Very high97.8Very high63 Ų6356.2 Ų56.234%0.33727%0.266SS..  trans-88.970.2172.9-172-2.4000110.3R174 R177 D181 M182 A183R174-D179 HydrophobicContact CB-CB 4.26Å; R174-D179 PolarHBondContact O-N 3.4Å; R177-D179 PolarHBondContact O-N 3.45Å; D179-D181 VanDerWaalsContact C-N 3.32Å; D179-D181 PolarHBondContact O-N 2.65Å; D179-M182 WeakPolarHBondContact OD1-CB 3.45Å; D179-M182 VanDerWaalsContact OD1-CG 3.32Å; D179-M182 WeakPolarHBondContact OD1-CG 3.39Å; D179-M182 PolarHBondContact OD1-N 3.4Å; D179-M182 WeakPolarHBondContact OD2-CB 3.33Å; D179-M182 VanDerWaalsContact OD2-CG 3.24Å; D179-M182 WeakPolarHBondContact OD2-CG 3.32Å; D179-A183 VanDerWaalsContact O-CB 3.31Å; D179-A183 WeakPolarHBondContact O-CB 3.47Å; D179-A183 PolarHBondContact O-N 2.85Å
180L97.8Very high97.8Very high34 Ų3455.3 Ų55.318%0.17826%0.26CS..Hα-helixtrans-66.7-32.6-172.6-58.9-179.5000112.7M178 G184 I215 L218 Q219M178-L180 VanDerWaalsContact C-N 3.31Å; M178-L180 PolarHBondContact O-N 3.36Å; L180-G184 PolarHBondContact O-N 3.06Å; L180-I215 HydrophobicContact CB-CG2 4.35Å; L180-I215 HydrophobicContact CD2-CD1 4.42Å; L180-I215 WeakPolarHBondContact O-CG2 3.31Å; L180-L218 HydrophobicContact CD1-CB 3.8Å; L180-L218 HydrophobicContact CD2-CB 4.48Å; L180-L218 HydrophobicContact CD2-CD1 4.18Å; L180-Q219 HydrophobicContact CB-CG 3.95Å; L180-Q219 HydrophobicContact CD1-CG 4.35Å; L180-Q219 PolarHBondContact O-NE2 2.95Å
181D97.8Very high97.8Very high108 Ų10854.5 Ų54.558%0.57826%0.257SS*.Hα-helixtrans-66.6-47.8-179.7-72.6-18.9000111.4D179 G184 Q185 Q219D179-D181 VanDerWaalsContact C-N 3.32Å; D179-D181 PolarHBondContact O-N 2.65Å; D181-G184 PolarHBondContact O-N 3.27Å; D181-Q185 WeakPolarHBondContact O-CG 3.49Å; D181-Q185 PolarHBondContact O-N 3.49Å; D181-Q219 PolarHBondContact OD1-NE2 3.17Å
182M97.9Very high97.8Very high61 Ų6159 Ų5930%0.328%0.281SS..Hα-helixtrans-72.2-35.7177.9-64.3-58.7-62.200111.8D179 Q185 D186D179-M182 WeakPolarHBondContact OD1-CB 3.45Å; D179-M182 VanDerWaalsContact OD1-CG 3.32Å; D179-M182 WeakPolarHBondContact OD1-CG 3.39Å; D179-M182 PolarHBondContact OD1-N 3.4Å; D179-M182 WeakPolarHBondContact OD2-CB 3.33Å; D179-M182 VanDerWaalsContact OD2-CG 3.24Å; D179-M182 WeakPolarHBondContact OD2-CG 3.32Å; M182-Q185 PolarHBondContact O-N 2.91Å; M182-D186 PolarHBondContact O-N 2.98Å; M182-D186 VanDerWaalsContact O-N 3.07Å
183A98.4Very high97.9Very high0 Ų054.1 Ų54.10%026%0.263CS..Hα-helixtrans-60.1-45.1172.100000111.7R174 V175 D179 Q185 D186 Y187R174-A183 HydrophobicContact CB-CB 3.9Å; V175-A183 HydrophobicContact CG2-CB 3.68Å; D179-A183 VanDerWaalsContact O-CB 3.31Å; D179-A183 WeakPolarHBondContact O-CB 3.47Å; D179-A183 PolarHBondContact O-N 2.85Å; A183-Q185 VanDerWaalsContact C-N 3.29Å; A183-Q185 PolarHBondContact O-N 3.13Å; A183-D186 PolarHBondContact O-N 3.07Å; A183-Y187 VanDerWaalsContact O-CD2 3.3Å; A183-Y187 WeakPolarHBondContact O-CD2 3.4Å; A183-Y187 PolarHBondContact O-N 3.3Å
184G98.5Very high97.9Very high0 Ų053.6 Ų53.60%026%0.262CS..Hα-helixtrans-63.7-32177.800000113.3L180 D181 R188L180-G184 PolarHBondContact O-N 3.06Å; D181-G184 PolarHBondContact O-N 3.27Å; G184-R188 WeakPolarHBondContact O-CB 3.26Å; G184-R188 VanDerWaalsContact O-CG 3.32Å; G184-R188 WeakPolarHBondContact O-CG 3.45Å; G184-R188 PolarHBondContact O-N 2.92Å; G184-R188 VanDerWaalsContact O-N 3.13Å; G184-R188 PolarHBondContact O-NE 3.49Å
185Q98.5Very high97.9Very high92 Ų9255.2 Ų55.243%0.4327%0.268SS..Hα-helixtrans-67.9-45.3172.6-69.8174.628.300111.9D181 M182 A183 R188 K189D181-Q185 WeakPolarHBondContact O-CG 3.49Å; D181-Q185 PolarHBondContact O-N 3.49Å; M182-Q185 PolarHBondContact O-N 2.91Å; A183-Q185 VanDerWaalsContact C-N 3.29Å; A183-Q185 PolarHBondContact O-N 3.13Å; Q185-R188 PolarHBondContact O-N 3.18Å; Q185-K189 PolarHBondContact O-N 3.45Å
186D98.7Very high97.9Very high4 Ų459.2 Ų59.22%0.02128%0.284CS..Hα-helixtrans-63.1-46.2178.2-76.6-13.6000111.5L167 R170 A171 R174 M182 A183 R188 K189 A190L167-D186 HydrophobicContact CB-CB 4.4Å; L167-D186 HydrophobicContact CD2-CB 4.31Å; L167-D186 WeakPolarHBondContact CD2-OD1 3.42Å; R170-D186 WeakPolarHBondContact CG-OD2 3.46Å; R170-D186 IonicContact CZ-OD1 3.49Å; R170-D186 IonicContact CZ-OD2 3.69Å; R170-D186 IonicContact NE-OD1 2.91Å; R170-D186 PolarHBondContact NE-OD1 3.31Å; R170-D186 IonicContact NE-OD2 4Å; R170-D186 PolarHBondContact NE-OD2 3.46Å; R170-D186 IonicContact NH2-OD1 2.72Å; R170-D186 PolarHBondContact NH2-OD1 3.32Å; R170-D186 IonicContact NH2-OD2 3.69Å; A171-D186 HydrophobicContact CB-CB 3.69Å; R174-D186 IonicContact CZ-OD2 3.9Å; R174-D186 IonicContact NE-OD2 3.34Å; R174-D186 IonicContact NH1-OD1 2.72Å; R174-D186 PolarHBondContact NH1-OD1 3.4Å; R174-D186 VanDerWaalsContact NH1-OD1 3.1Å; R174-D186 IonicContact NH1-OD2 3.68Å; R174-D186 PolarHBondContact NH1-OD2 2.88Å; M182-D186 PolarHBondContact O-N 2.98Å; M182-D186 VanDerWaalsContact O-N 3.07Å; A183-D186 PolarHBondContact O-N 3.07Å; D186-R188 VanDerWaalsContact C-N 3.35Å; D186-R188 PolarHBondContact O-N 3.44Å; D186-K189 PolarHBondContact O-N 3.21Å; D186-A190 WeakPolarHBondContact O-CB 3.33Å; D186-A190 PolarHBondContact O-N 3.31Å
187Y98.8Very high98Very high10 Ų1056.2 Ų56.24%0.03926%0.261CS..Hα-helixtrans-61.8-39.9176.8-79.5-53.9000112.8D168 A171 R172 V175 A183 A190 L191 L208 D211 I215D168-Y187 WeakPolarHBondContact OD1-CE1 3.29Å; A171-Y187 HydrophobicContact CB-CD1 3.8Å; A171-Y187 HydrophobicContact CB-CD2 3.64Å; A171-Y187 HydrophobicContact CB-CE1 3.69Å; A171-Y187 HydrophobicContact CB-CE2 3.52Å; A171-Y187 HydrophobicContact CB-CG 3.77Å; R172-Y187 VanDerWaalsContact CG-OH 3.25Å; R172-Y187 WeakPolarHBondContact CG-OH 3.44Å; V175-Y187 HydrophobicContact CG2-CE2 4.07Å; A183-Y187 VanDerWaalsContact O-CD2 3.3Å; A183-Y187 WeakPolarHBondContact O-CD2 3.4Å; A183-Y187 PolarHBondContact O-N 3.3Å; Y187-A190 PolarHBondContact O-N 2.95Å; Y187-L191 WeakPolarHBondContact O-CB 3.45Å; Y187-L191 PolarHBondContact O-N 2.83Å; Y187-L208 HydrophobicContact CD1-CD2 3.96Å; Y187-L208 HydrophobicContact CE1-CD2 4.39Å; Y187-D211 HydrophobicContact CD1-CB 4.03Å; Y187-D211 HydrophobicContact CE1-CB 3.6Å; Y187-D211 HydrophobicContact CE2-CB 4.26Å; Y187-I215 HydrophobicContact CD2-CG1 3.64Å; Y187-I215 HydrophobicContact CE2-CD1 4.16Å; Y187-I215 HydrophobicContact CE2-CG1 3.64Å
188R98.8Very high98Very high90 Ų9052.2 Ų52.234%0.3425%0.249SC..Hα-helixtrans-60.2-49.9174.4-81.5178.7-119.3123.42.3111.6G184 Q185 D186 A190 L191 D192 L212G184-R188 WeakPolarHBondContact O-CB 3.26Å; G184-R188 VanDerWaalsContact O-CG 3.32Å; G184-R188 WeakPolarHBondContact O-CG 3.45Å; G184-R188 PolarHBondContact O-N 2.92Å; G184-R188 VanDerWaalsContact O-N 3.13Å; G184-R188 PolarHBondContact O-NE 3.49Å; Q185-R188 PolarHBondContact O-N 3.18Å; D186-R188 VanDerWaalsContact C-N 3.35Å; D186-R188 PolarHBondContact O-N 3.44Å; R188-A190 PolarHBondContact O-N 3.11Å; R188-L191 PolarHBondContact O-N 3.32Å; R188-D192 PolarHBondContact O-N 2.9Å; R188-L212 HydrophobicContact CG-CD1 3.95Å; R188-L212 HydrophobicContact CG-CD2 3.5Å; R188-L212 VanDerWaalsContact CG-CD2 3.5Å; R188-L212 HydrophobicContact CG-CG 4.41Å
189K98.7Very high98.1Very high96 Ų9645.9 Ų45.942%0.41722%0.223SC..Hα-helixtrans-60.4-47.1177-74.8-174.2169.3-167.90111.3E137 L167 Q185 D186 L191 D192 I193E137-K189 IonicContact OE1-NZ 2.95Å; E137-K189 PolarHBondContact OE1-NZ 3.27Å; L167-K189 HydrophobicContact CD1-CB 3.67Å; L167-K189 HydrophobicContact CD1-CD 4.37Å; L167-K189 HydrophobicContact CD2-CD 4.4Å; Q185-K189 PolarHBondContact O-N 3.45Å; D186-K189 PolarHBondContact O-N 3.21Å; K189-L191 VanDerWaalsContact C-N 3.3Å; K189-L191 PolarHBondContact O-N 2.99Å; K189-D192 PolarHBondContact O-N 3.39Å; K189-I193 VanDerWaalsContact O-CG1 3.24Å; K189-I193 WeakPolarHBondContact O-CG1 3.43Å; K189-I193 PolarHBondContact O-N 2.49Å
190A98.8Very high98.1Very high0 Ų047.9 Ų47.90%023%0.231CC..Hα-helixtrans-59.3-41.9178.100000112L167 D186 Y187 R188 I193 C194 L208L167-A190 HydrophobicContact CB-CB 3.94Å; D186-A190 WeakPolarHBondContact O-CB 3.33Å; D186-A190 PolarHBondContact O-N 3.31Å; Y187-A190 PolarHBondContact O-N 2.95Å; R188-A190 PolarHBondContact O-N 3.11Å; A190-I193 PolarHBondContact O-N 2.88Å; A190-C194 WeakPolarHBondContact O-CB 3.47Å; A190-C194 PolarHBondContact O-N 3.19Å; A190-L208 HydrophobicContact CB-CD1 4.2Å; A190-L208 HydrophobicContact CB-CD2 3.93Å
191L98.8Very high97.9Very high4 Ų450 Ų502%0.02124%0.242CC..Hα-helixtrans-63.1-44.8177176.858.7000111.8Y187 R188 K189 C194 R195 T205 L208 M209 L212Y187-L191 WeakPolarHBondContact O-CB 3.45Å; Y187-L191 PolarHBondContact O-N 2.83Å; R188-L191 PolarHBondContact O-N 3.32Å; K189-L191 VanDerWaalsContact C-N 3.3Å; K189-L191 PolarHBondContact O-N 2.99Å; L191-C194 PolarHBondContact O-N 3.36Å; L191-R195 HydrophobicContact CD1-CG 4.16Å; L191-R195 WeakPolarHBondContact O-CB 3.36Å; L191-R195 VanDerWaalsContact O-CG 3.3Å; L191-R195 WeakPolarHBondContact O-CG 3.49Å; L191-R195 PolarHBondContact O-N 3.41Å; L191-T205 HydrophobicContact CD1-CG2 3.7Å; L191-L208 HydrophobicContact CB-CB 4.16Å; L191-L208 HydrophobicContact CD1-CB 3.95Å; L191-M209 HydrophobicContact CD1-CG 3.6Å; L191-M209 HydrophobicContact CD2-CG 3.9Å; L191-M209 HydrophobicContact CG-CG 4.42Å; L191-L212 HydrophobicContact CD2-CD2 4.03Å
192D98.6Very high97.7Very high95 Ų9547.9 Ų47.951%0.50823%0.229SC..Hα-helixtrans-63.5-42.9178.8-71.2-21.5000111.6R188 K189 R195 Q196R188-D192 PolarHBondContact O-N 2.9Å; K189-D192 PolarHBondContact O-N 3.39Å; D192-R195 PolarHBondContact O-N 3.25Å; D192-Q196 WeakPolarHBondContact O-CB 3.48Å; D192-Q196 PolarHBondContact O-N 3.3Å
193I98.6Very high97.6Very high11 Ų1148.3 Ų48.36%0.05624%0.236CC..Hα-helixtrans-57.9-51.4173.7-67.8176.3000110.6H160 L163 L167 K189 A190 R195 Q196 E197H160-I193 WeakPolarHBondContact NE2-CG1 3.31Å; H160-I193 WeakPolarHBondContact O-CG2 3.44Å; L163-I193 HydrophobicContact CB-CD1 4.19Å; L163-I193 HydrophobicContact CD2-CD1 3.86Å; L163-I193 HydrophobicContact CG-CD1 3.74Å; L167-I193 HydrophobicContact CD1-CD1 3.82Å; K189-I193 VanDerWaalsContact O-CG1 3.24Å; K189-I193 WeakPolarHBondContact O-CG1 3.43Å; K189-I193 PolarHBondContact O-N 2.49Å; A190-I193 PolarHBondContact O-N 2.88Å; I193-R195 PolarHBondContact O-N 3.28Å; I193-Q196 PolarHBondContact O-N 3.06Å; I193-E197 WeakPolarHBondContact O-CG 3.27Å; I193-E197 PolarHBondContact O-N 3.28Å
194C98.3Very high97.5Very high5 Ų551 Ų513%0.03425%0.248CC..Hα-helixtrans-63.1-42.8-177.1-168.90000111.2A190 L191 Q196 E197 Q198 G199 T205 L208A190-C194 WeakPolarHBondContact O-CB 3.47Å; A190-C194 PolarHBondContact O-N 3.19Å; L191-C194 PolarHBondContact O-N 3.36Å; C194-Q196 PolarHBondContact O-N 2.91Å; C194-E197 PolarHBondContact O-N 3.4Å; C194-Q198 WeakPolarHBondContact O-CA 3.45Å; C194-Q198 WeakPolarHBondContact O-CB 3.36Å; C194-Q198 PolarHBondContact O-N 3.47Å; C194-Q198 PolarHBondContact SG-OE1 2.85Å; C194-G199 PolarHBondContact O-N 2.87Å; C194-T205 PolarHBondContact SG-N 3.31Å; C194-T205 VanDerWaalsContact SG-N 3.44Å; C194-T205 PolarHBondContact SG-OG1 3.16Å; C194-L208 HydrophobicContact CB-CD1 3.74Å
195R98.1Very high97.4Very high58 Ų5851 Ų5122%0.21925%0.248CC..Hα-helixtrans-59.4-44.1174-77.1174.2169.5168.7-3.8112.6L191 D192 I193 G199 Q200 T205 M209L191-R195 HydrophobicContact CD1-CG 4.16Å; L191-R195 WeakPolarHBondContact O-CB 3.36Å; L191-R195 VanDerWaalsContact O-CG 3.3Å; L191-R195 WeakPolarHBondContact O-CG 3.49Å; L191-R195 PolarHBondContact O-N 3.41Å; D192-R195 PolarHBondContact O-N 3.25Å; I193-R195 PolarHBondContact O-N 3.28Å; R195-G199 VanDerWaalsContact O-CA 3.3Å; R195-G199 WeakPolarHBondContact O-CA 3.39Å; R195-G199 PolarHBondContact O-N 3.34Å; R195-G199 VanDerWaalsContact O-N 3.1Å; R195-Q200 HydrophobicContact CG-CG 4.36Å; R195-T205 HydrophobicContact CG-CG2 3.55Å; R195-M209 PolarHBondContact NH2-SD 2.86Å; R195-M209 VanDerWaalsContact NH2-SD 3.42Å
196Q97.4Very high97.4Very high121 Ų12146.6 Ų46.657%0.56523%0.228SC*.Hα-helixtrans-67.1-44.2-178.7-179.7173.6-200112.1D192 I193 C194D192-Q196 WeakPolarHBondContact O-CB 3.48Å; D192-Q196 PolarHBondContact O-N 3.3Å; I193-Q196 PolarHBondContact O-N 3.06Å; C194-Q196 PolarHBondContact O-N 2.91Å
197E97.4Very high97.3Very high20 Ų2049 Ų499%0.09324%0.243CC..Hα-helixtrans-92.4-26.4-170.4-61-55.1151.800113.7R156 K157 H160 L161 I193 C194R156-E197 IonicContact CZ-OE1 3.63Å; R156-E197 IonicContact NH1-OE1 2.74Å; R156-E197 PolarHBondContact NH1-OE1 2.87Å; R156-E197 IonicContact NH1-OE2 3.74Å; R156-E197 IonicContact NH2-OE1 3.89Å; K157-E197 WeakPolarHBondContact CE-O 3.31Å; K157-E197 HydrophobicContact CG-CB 4.44Å; K157-E197 WeakPolarHBondContact CG-OE2 3.46Å; K157-E197 PolarHBondContact NZ-O 3.04Å; H160-E197 HydrophobicContact CB-CG 4.23Å; H160-E197 IonicContact CE1-OE1 3.65Å; H160-E197 IonicContact CG-OE1 3.87Å; H160-E197 WeakPolarHBondContact ND1-CG 3.39Å; H160-E197 IonicContact ND1-OE1 2.81Å; H160-E197 PolarHBondContact ND1-OE1 3.24Å; L161-E197 HydrophobicContact CD2-CB 3.67Å; L161-E197 HydrophobicContact CD2-CG 4.33Å; L161-E197 HydrophobicContact CG-CB 4.05Å; L161-E197 HydrophobicContact CG-CG 4.45Å; I193-E197 WeakPolarHBondContact O-CG 3.27Å; I193-E197 PolarHBondContact O-N 3.28Å; C194-E197 PolarHBondContact O-N 3.4Å
198Q96.5Very high97.3Very high69 Ų6948.7 Ų48.732%0.32224%0.242SC..Hα-helixtrans-122.2-17.6-174.4-67.4172.5-20.200114.3L161 C194 H202L161-Q198 HydrophobicContact CD2-CG 3.89Å; C194-Q198 WeakPolarHBondContact O-CA 3.45Å; C194-Q198 WeakPolarHBondContact O-CB 3.36Å; C194-Q198 PolarHBondContact O-N 3.47Å; C194-Q198 PolarHBondContact SG-OE1 2.85Å; Q198-H202 HydrophobicContact CB-CB 3.83Å; Q198-H202 VanDerWaalsContact CD-CE1 3.48Å; Q198-H202 PolarHBondContact OE1-CE1 3.24Å; Q198-H202 PolarHBondContact OE1-ND1 3.14Å
199G96.9Very high97.3Very high22 Ų2244.4 Ų44.423%0.22723%0.226CC..  trans102166.7-179.700000113.9C194 R195 D201 T205C194-G199 PolarHBondContact O-N 2.87Å; R195-G199 VanDerWaalsContact O-CA 3.3Å; R195-G199 WeakPolarHBondContact O-CA 3.39Å; R195-G199 PolarHBondContact O-N 3.34Å; R195-G199 VanDerWaalsContact O-N 3.1Å; G199-D201 VanDerWaalsContact C-N 3.34Å; G199-T205 PolarHBondContact O-OG1 2.94Å
200Q95.9Very high97.3Very high106 Ų10640.3 Ų40.350%0.49521%0.209SC..THydrogen-bonded Turntrans-74.1-25.8-174.7-69.7-166-9.300113.8R195 T205R195-Q200 HydrophobicContact CG-CG 4.36Å; Q200-T205 VanDerWaalsContact O-CG2 3.3Å; Q200-T205 WeakPolarHBondContact O-CG2 3.48Å
201D93.6Very high97.3Very high79 Ų7942.2 Ų42.242%0.42222%0.219SC..THydrogen-bonded Turntrans-98.7-0.7-174.364-26.3000112.9G199 V239G199-D201 VanDerWaalsContact C-N 3.34Å; D201-V239 HydrophobicContact CB-CG1 3.7Å
202H95.5Very high97.3Very high63 Ų6342.4 Ų42.429%0.29222%0.22SC..SBendtrans-62.4138.2176.1-173.2-96.2000111.2Q198 Q204 T205 L206Q198-H202 HydrophobicContact CB-CB 3.83Å; Q198-H202 VanDerWaalsContact CD-CE1 3.48Å; Q198-H202 PolarHBondContact OE1-CE1 3.24Å; Q198-H202 PolarHBondContact OE1-ND1 3.14Å; H202-Q204 VanDerWaalsContact C-N 3.27Å; H202-Q204 WeakPolarHBondContact ND1-CB 3.41Å; H202-Q204 PolarHBondContact ND1-N 2.93Å; H202-Q204 PolarHBondContact O-N 3.24Å; H202-Q204 VanDerWaalsContact O-N 3.14Å; H202-T205 WeakPolarHBondContact O-CA 3.2Å; H202-T205 VanDerWaalsContact O-CB 3.25Å; H202-T205 WeakPolarHBondContact O-CB 3.29Å; H202-T205 PolarHBondContact O-N 2.96Å; H202-L206 PolarHBondContact O-N 2.99Å
203P94.8Very high97.3Very high69 Ų6937.9 Ų37.945%0.44820%0.196SC..Hα-helixtrans-52.4-41.4-177.6-29.935.9000114.2T205 L206 V207P203-T205 VanDerWaalsContact C-N 3.3Å; P203-T205 PolarHBondContact O-N 3.42Å; P203-L206 PolarHBondContact O-N 3.42Å; P203-V207 WeakPolarHBondContact O-CG2 3.29Å; P203-V207 PolarHBondContact O-N 3.15Å
204Q95.7Very high97.3Very high56 Ų5639.5 Ų39.526%0.26221%0.206SC..Hα-helixtrans-65.2-33.2177.7-172.364.735.500112.6H202 L206 V207 L208H202-Q204 VanDerWaalsContact C-N 3.27Å; H202-Q204 WeakPolarHBondContact ND1-CB 3.41Å; H202-Q204 PolarHBondContact ND1-N 2.93Å; H202-Q204 PolarHBondContact O-N 3.24Å; H202-Q204 VanDerWaalsContact O-N 3.14Å; Q204-L206 VanDerWaalsContact C-N 3.33Å; Q204-V207 PolarHBondContact O-N 3.21Å; Q204-L208 HydrophobicContact CG-CD1 4.13Å; Q204-L208 WeakPolarHBondContact O-CB 3.35Å; Q204-L208 VanDerWaalsContact O-CG 3.32Å; Q204-L208 WeakPolarHBondContact O-CG 3.41Å; Q204-L208 PolarHBondContact O-N 3.41Å
205T97.9Very high97.3Very high0 Ų039.5 Ų39.50%021%0.206CC..Hα-helixtrans-62.8-43.8174.7-62.20000110.2L191 C194 R195 G199 Q200 H202 P203 L208 M209L191-T205 HydrophobicContact CD1-CG2 3.7Å; C194-T205 PolarHBondContact SG-N 3.31Å; C194-T205 VanDerWaalsContact SG-N 3.44Å; C194-T205 PolarHBondContact SG-OG1 3.16Å; R195-T205 HydrophobicContact CG-CG2 3.55Å; G199-T205 PolarHBondContact O-OG1 2.94Å; Q200-T205 VanDerWaalsContact O-CG2 3.3Å; Q200-T205 WeakPolarHBondContact O-CG2 3.48Å; H202-T205 WeakPolarHBondContact O-CA 3.2Å; H202-T205 VanDerWaalsContact O-CB 3.25Å; H202-T205 WeakPolarHBondContact O-CB 3.29Å; H202-T205 PolarHBondContact O-N 2.96Å; P203-T205 VanDerWaalsContact C-N 3.3Å; P203-T205 PolarHBondContact O-N 3.42Å; T205-L208 PolarHBondContact O-N 3.23Å; T205-M209 HydrophobicContact CG2-SD 4.12Å; T205-M209 VanDerWaalsContact O-CG 3.26Å; T205-M209 WeakPolarHBondContact O-CG 3.43Å; T205-M209 PolarHBondContact O-N 3.05Å
206L98.1Very high97.3Very high1 Ų137.2 Ų37.21%0.00520%0.198CC..Hα-helixtrans-66.1-40.4-179.9-55.9177.6000111.9H202 P203 Q204 M209 S210 A232 L235 V239 N241 L247H202-L206 PolarHBondContact O-N 2.99Å; P203-L206 PolarHBondContact O-N 3.42Å; Q204-L206 VanDerWaalsContact C-N 3.33Å; L206-M209 HydrophobicContact CD2-SD 4.38Å; L206-M209 PolarHBondContact O-N 3.5Å; L206-S210 PolarHBondContact O-N 2.91Å; L206-A232 HydrophobicContact CD2-CB 4.48Å; L206-L235 HydrophobicContact CD2-CB 3.61Å; L206-L235 HydrophobicContact CD2-CD1 4.05Å; L206-V239 HydrophobicContact CD1-CG2 4.24Å; L206-N241 HydrophobicContact CD1-CB 4.47Å; L206-L247 HydrophobicContact CB-CD1 4.25Å
207V96.9Very high97.3Very high55 Ų5531.9 Ų31.933%0.33317%0.174SC..Hα-helixtrans-59.9-49.3173.2172.40000110.7P203 Q204 M209 S210 D211P203-V207 WeakPolarHBondContact O-CG2 3.29Å; P203-V207 PolarHBondContact O-N 3.15Å; Q204-V207 PolarHBondContact O-N 3.21Å; V207-M209 VanDerWaalsContact C-N 3.3Å; V207-M209 PolarHBondContact O-N 3.38Å; V207-S210 WeakPolarHBondContact O-CB 3.35Å; V207-S210 PolarHBondContact O-N 3.47Å; V207-S210 VanDerWaalsContact O-N 3.08Å; V207-D211 PolarHBondContact O-N 2.98Å
208L98.5Very high97.3Very high3 Ų335.5 Ų35.52%0.01619%0.193CC..Hα-helixtrans-63.9-33.3179.3-71.9167000113D168 Y187 A190 L191 C194 Q204 T205 L212D168-L208 HydrophobicContact CB-CD2 4.1Å; Y187-L208 HydrophobicContact CD1-CD2 3.96Å; Y187-L208 HydrophobicContact CE1-CD2 4.39Å; A190-L208 HydrophobicContact CB-CD1 4.2Å; A190-L208 HydrophobicContact CB-CD2 3.93Å; L191-L208 HydrophobicContact CB-CB 4.16Å; L191-L208 HydrophobicContact CD1-CB 3.95Å; C194-L208 HydrophobicContact CB-CD1 3.74Å; Q204-L208 HydrophobicContact CG-CD1 4.13Å; Q204-L208 WeakPolarHBondContact O-CB 3.35Å; Q204-L208 VanDerWaalsContact O-CG 3.32Å; Q204-L208 WeakPolarHBondContact O-CG 3.41Å; Q204-L208 PolarHBondContact O-N 3.41Å; T205-L208 PolarHBondContact O-N 3.23Å; L208-L212 VanDerWaalsContact O-CB 3.28Å; L208-L212 WeakPolarHBondContact O-CB 3.46Å; L208-L212 PolarHBondContact O-N 3.05Å
209M98.7Very high97.3Very high0 Ų034.4 Ų34.40%019%0.188CC..Hα-helixtrans-64.4-43.2172-71.3172.665.600111.5L191 R195 T205 L206 V207 A213 L228 Q231 A232 L235L191-M209 HydrophobicContact CD1-CG 3.6Å; L191-M209 HydrophobicContact CD2-CG 3.9Å; L191-M209 HydrophobicContact CG-CG 4.42Å; R195-M209 PolarHBondContact NH2-SD 2.86Å; R195-M209 VanDerWaalsContact NH2-SD 3.42Å; T205-M209 HydrophobicContact CG2-SD 4.12Å; T205-M209 VanDerWaalsContact O-CG 3.26Å; T205-M209 WeakPolarHBondContact O-CG 3.43Å; T205-M209 PolarHBondContact O-N 3.05Å; L206-M209 HydrophobicContact CD2-SD 4.38Å; L206-M209 PolarHBondContact O-N 3.5Å; V207-M209 VanDerWaalsContact C-N 3.3Å; V207-M209 PolarHBondContact O-N 3.38Å; M209-A213 WeakPolarHBondContact O-CB 3.46Å; M209-A213 PolarHBondContact O-N 2.85Å; M209-L228 HydrophobicContact CB-CD1 4.14Å; M209-L228 HydrophobicContact CB-CG 4.17Å; M209-L228 HydrophobicContact CE-CD1 3.87Å; M209-L228 WeakPolarHBondContact CE-O 3.38Å; M209-L228 HydrophobicContact CG-CD1 3.97Å; M209-L228 VanDerWaalsContact O-CD2 3.3Å; M209-L228 WeakPolarHBondContact O-CD2 3.42Å; M209-Q231 HydrophobicContact CE-CB 3.57Å; M209-Q231 HydrophobicContact CE-CG 3.6Å; M209-A232 HydrophobicContact CB-CB 3.87Å; M209-A232 HydrophobicContact CE-CB 3.89Å; M209-A232 HydrophobicContact SD-CB 4.32Å; M209-L235 HydrophobicContact CE-CD1 4.36Å; M209-L235 HydrophobicContact SD-CD1 4.32Å
210S98.4Very high97.3Very high10 Ų1035.5 Ų35.57%0.0720%0.199CC..Hα-helixtrans-63.4-48.1176.8-177.20000112L206 V207 L212 A213 T214 N250L206-S210 PolarHBondContact O-N 2.91Å; V207-S210 WeakPolarHBondContact O-CB 3.35Å; V207-S210 PolarHBondContact O-N 3.47Å; V207-S210 VanDerWaalsContact O-N 3.08Å; S210-L212 PolarHBondContact O-N 3.03Å; S210-A213 WeakPolarHBondContact O-CB 3.46Å; S210-A213 PolarHBondContact O-N 2.97Å; S210-A213 VanDerWaalsContact O-N 3.16Å; S210-T214 PolarHBondContact O-N 3.23Å; S210-T214 PolarHBondContact O-OG1 3.21Å; S210-N250 PolarHBondContact O-ND2 3.27Å; S210-N250 PolarHBondContact OG-ND2 3.12Å
211D98.4Very high97.4Very high39 Ų3935.8 Ų35.821%0.20920%0.196CC..Hα-helixtrans-62.1-45179.7-72.5-8.9000111.3Y187 V207 A213 T214 I215Y187-D211 HydrophobicContact CD1-CB 4.03Å; Y187-D211 HydrophobicContact CE1-CB 3.6Å; Y187-D211 HydrophobicContact CE2-CB 4.26Å; V207-D211 PolarHBondContact O-N 2.98Å; D211-A213 VanDerWaalsContact C-N 3.32Å; D211-A213 PolarHBondContact O-N 3.34Å; D211-T214 WeakPolarHBondContact O-CB 3.35Å; D211-T214 PolarHBondContact O-N 3.41Å; D211-I215 WeakPolarHBondContact O-CG1 3.33Å; D211-I215 PolarHBondContact O-N 3.05Å
212L98.8Very high97.6Very high9 Ų934.8 Ų34.85%0.04719%0.188CC..Hα-helixtrans-63.4-37.5175.417958.6000112R188 L191 L208 S210 T214 I215 L216 L228R188-L212 HydrophobicContact CG-CD1 3.95Å; R188-L212 HydrophobicContact CG-CD2 3.5Å; R188-L212 VanDerWaalsContact CG-CD2 3.5Å; R188-L212 HydrophobicContact CG-CG 4.41Å; L191-L212 HydrophobicContact CD2-CD2 4.03Å; L208-L212 VanDerWaalsContact O-CB 3.28Å; L208-L212 WeakPolarHBondContact O-CB 3.46Å; L208-L212 PolarHBondContact O-N 3.05Å; S210-L212 PolarHBondContact O-N 3.03Å; L212-T214 VanDerWaalsContact C-N 3.34Å; L212-I215 PolarHBondContact O-N 3.08Å; L212-L216 HydrophobicContact CD1-CG 4.35Å; L212-L216 HydrophobicContact CG-CD1 4.21Å; L212-L216 HydrophobicContact CG-CG 4.49Å; L212-L216 VanDerWaalsContact O-CG 3.31Å; L212-L216 WeakPolarHBondContact O-CG 3.38Å; L212-L216 PolarHBondContact O-N 2.89Å; L212-L228 HydrophobicContact CB-CD2 3.73Å; L212-L228 HydrophobicContact CD2-CD2 3.65Å; L212-L228 HydrophobicContact CG-CD2 3.59Å
213A98.7Very high97.6Very high0 Ų037.8 Ų37.80%021%0.206CC..Hα-helixtrans-62.8-42.5175.500000111.2M209 S210 D211 I215 L216 D217 A225 L228 I229 I254M209-A213 WeakPolarHBondContact O-CB 3.46Å; M209-A213 PolarHBondContact O-N 2.85Å; S210-A213 WeakPolarHBondContact O-CB 3.46Å; S210-A213 PolarHBondContact O-N 2.97Å; S210-A213 VanDerWaalsContact O-N 3.16Å; D211-A213 VanDerWaalsContact C-N 3.32Å; D211-A213 PolarHBondContact O-N 3.34Å; A213-I215 VanDerWaalsContact C-N 3.3Å; A213-I215 PolarHBondContact O-N 3.49Å; A213-L216 PolarHBondContact O-N 3.34Å; A213-D217 WeakPolarHBondContact O-CB 3.26Å; A213-D217 PolarHBondContact O-N 3.12Å; A213-A225 HydrophobicContact CB-CB 4.43Å; A213-A225 VanDerWaalsContact O-CB 3.26Å; A213-A225 WeakPolarHBondContact O-CB 3.45Å; A213-L228 HydrophobicContact CB-CB 4.32Å; A213-L228 HydrophobicContact CB-CD2 4.26Å; A213-L228 HydrophobicContact CB-CG 4.43Å; A213-I229 HydrophobicContact CB-CB 3.88Å; A213-I254 HydrophobicContact CB-CD1 4.06Å
214T98.1Very high97.8Very high45 Ų4538 Ų3828%0.27620%0.204SC..Hα-helixtrans-59.3-41.3173.2-600000111.5S210 D211 L212 D217 L218 N250S210-T214 PolarHBondContact O-N 3.23Å; S210-T214 PolarHBondContact O-OG1 3.21Å; D211-T214 WeakPolarHBondContact O-CB 3.35Å; D211-T214 PolarHBondContact O-N 3.41Å; L212-T214 VanDerWaalsContact C-N 3.34Å; T214-D217 PolarHBondContact O-N 3.03Å; T214-L218 HydrophobicContact CG2-CD1 4.2Å; T214-L218 VanDerWaalsContact O-CG 3.29Å; T214-L218 WeakPolarHBondContact O-CG 3.45Å; T214-L218 PolarHBondContact O-N 2.89Å; T214-N250 PolarHBondContact OG1-ND2 3.4Å; T214-N250 PolarHBondContact OG1-OD1 3.3Å
215I98.4Very high97.9Very high4 Ų435.3 Ų35.32%0.02119%0.191CC..Hα-helixtrans-66.2-43.7177.1-59.5-39.1000112V175 L180 Y187 D211 L212 A213 D217 L218 Q219V175-I215 HydrophobicContact CB-CD1 4.47Å; V175-I215 HydrophobicContact CG1-CD1 4.22Å; V175-I215 HydrophobicContact CG2-CD1 3.38Å; V175-I215 HydrophobicContact CG2-CG1 4.24Å; L180-I215 HydrophobicContact CB-CG2 4.35Å; L180-I215 HydrophobicContact CD2-CD1 4.42Å; L180-I215 WeakPolarHBondContact O-CG2 3.31Å; Y187-I215 HydrophobicContact CD2-CG1 3.64Å; Y187-I215 HydrophobicContact CE2-CD1 4.16Å; Y187-I215 HydrophobicContact CE2-CG1 3.64Å; D211-I215 WeakPolarHBondContact O-CG1 3.33Å; D211-I215 PolarHBondContact O-N 3.05Å; L212-I215 PolarHBondContact O-N 3.08Å; A213-I215 VanDerWaalsContact C-N 3.3Å; A213-I215 PolarHBondContact O-N 3.49Å; I215-D217 VanDerWaalsContact C-N 3.28Å; I215-D217 PolarHBondContact O-N 3.45Å; I215-L218 HydrophobicContact CD1-CD1 4.32Å; I215-L218 PolarHBondContact O-N 3.14Å; I215-Q219 HydrophobicContact CG2-CG 4.49Å; I215-Q219 VanDerWaalsContact O-CG 3.27Å; I215-Q219 WeakPolarHBondContact O-CG 3.15Å; I215-Q219 PolarHBondContact O-N 3.24Å
216L98.6Very high98Very high11 Ų1136.3 Ų36.36%0.05820%0.196CC..Hα-helixtrans-60.1-41.6176.5-70.7169.1000111.3L212 A213 Q219 G220 R221 D224 A225 L228L212-L216 HydrophobicContact CD1-CG 4.35Å; L212-L216 HydrophobicContact CG-CD1 4.21Å; L212-L216 HydrophobicContact CG-CG 4.49Å; L212-L216 VanDerWaalsContact O-CG 3.31Å; L212-L216 WeakPolarHBondContact O-CG 3.38Å; L212-L216 PolarHBondContact O-N 2.89Å; A213-L216 PolarHBondContact O-N 3.34Å; L216-Q219 CarbonylContact O-C 3.6Å; L216-Q219 WeakPolarHBondContact O-CB 3.31Å; L216-Q219 PolarHBondContact O-N 3.39Å; L216-G220 PolarHBondContact O-N 3.44Å; L216-R221 HydrophobicContact CB-CB 4.28Å; L216-R221 HydrophobicContact CD2-CB 4.32Å; L216-R221 WeakPolarHBondContact O-CA 3.37Å; L216-R221 WeakPolarHBondContact O-CB 3.48Å; L216-R221 PolarHBondContact O-N 3.45Å; L216-D224 HydrophobicContact CD1-CB 4.05Å; L216-A225 HydrophobicContact CB-CB 3.87Å; L216-L228 HydrophobicContact CD1-CD2 4.19Å
217D98.2Very high98Very high9 Ų941.1 Ų41.15%0.04823%0.226CC..Hα-helixtrans-64-45.2176.9-179.561.1000112.3A213 T214 I215 Q219 G220 H222 A225 I254 H257A213-D217 WeakPolarHBondContact O-CB 3.26Å; A213-D217 PolarHBondContact O-N 3.12Å; T214-D217 PolarHBondContact O-N 3.03Å; I215-D217 VanDerWaalsContact C-N 3.28Å; I215-D217 PolarHBondContact O-N 3.45Å; D217-Q219 PolarHBondContact O-N 3.1Å; D217-G220 WeakPolarHBondContact O-CA 3.43Å; D217-G220 PolarHBondContact O-N 3.36Å; D217-H222 PolarHBondContact O-CE1 3.48Å; D217-H222 IonicContact OD1-CE1 3.97Å; D217-H222 PolarHBondContact OD1-CE1 2.89Å; D217-H222 IonicContact OD1-CG 2.84Å; D217-H222 IonicContact OD1-ND1 3.15Å; D217-H222 PolarHBondContact OD1-ND1 2.84Å; D217-A225 HydrophobicContact CB-CB 3.91Å; D217-I254 HydrophobicContact CB-CD1 4.47Å; D217-I254 HydrophobicContact CB-CG1 3.93Å; D217-I254 HydrophobicContact CB-CG2 4.45Å; D217-H257 IonicContact OD1-ND1 2.84Å; D217-H257 PolarHBondContact OD1-ND1 2.97Å; D217-H257 IonicContact OD2-CE1 3.16Å; D217-H257 PolarHBondContact OD2-CE1 3.49Å; D217-H257 VanDerWaalsContact OD2-CE1 3.29Å; D217-H257 IonicContact OD2-CG 3.8Å; D217-H257 IonicContact OD2-ND1 3.38Å; D217-H257 PolarHBondContact OD2-ND1 3.46Å
218L96.6Very high98.1Very high95 Ų9539.5 Ų39.550%0.49722%0.215SC..Hα-helixtrans-62.9-26.7173.9-70.1174.1000113L180 T214 I215 G220L180-L218 HydrophobicContact CD1-CB 3.8Å; L180-L218 HydrophobicContact CD2-CB 4.48Å; L180-L218 HydrophobicContact CD2-CD1 4.18Å; T214-L218 HydrophobicContact CG2-CD1 4.2Å; T214-L218 VanDerWaalsContact O-CG 3.29Å; T214-L218 WeakPolarHBondContact O-CG 3.45Å; T214-L218 PolarHBondContact O-N 2.89Å; I215-L218 HydrophobicContact CD1-CD1 4.32Å; I215-L218 PolarHBondContact O-N 3.14Å; L218-G220 PolarHBondContact O-N 3.11Å
219Q96.9Very high98.1Very high47 Ų4739.3 Ų39.322%0.2221%0.214CC..THydrogen-bonded Turntrans-80.5-0.5172.4-69.8175.7-37.400113.4L180 D181 I215 L216 D217 R221L180-Q219 HydrophobicContact CB-CG 3.95Å; L180-Q219 HydrophobicContact CD1-CG 4.35Å; L180-Q219 PolarHBondContact O-NE2 2.95Å; D181-Q219 PolarHBondContact OD1-NE2 3.17Å; I215-Q219 HydrophobicContact CG2-CG 4.49Å; I215-Q219 VanDerWaalsContact O-CG 3.27Å; I215-Q219 WeakPolarHBondContact O-CG 3.15Å; I215-Q219 PolarHBondContact O-N 3.24Å; L216-Q219 CarbonylContact O-C 3.6Å; L216-Q219 WeakPolarHBondContact O-CB 3.31Å; L216-Q219 PolarHBondContact O-N 3.39Å; D217-Q219 PolarHBondContact O-N 3.1Å; Q219-R221 VanDerWaalsContact C-N 3.27Å; Q219-R221 HydrophobicContact CB-CG 4.39Å; Q219-R221 PolarHBondContact O-N 3.17Å
220G96.6Very high98Very high45 Ų4542.4 Ų42.446%0.46423%0.229SC..THydrogen-bonded Turntrans77.77.5-175.400000114.3L216 D217 L218 H222L216-G220 PolarHBondContact O-N 3.44Å; D217-G220 WeakPolarHBondContact O-CA 3.43Å; D217-G220 PolarHBondContact O-N 3.36Å; L218-G220 PolarHBondContact O-N 3.11Å; G220-H222 PolarHBondContact O-CD2 3.23Å; G220-H222 PolarHBondContact O-N 3.03Å; G220-H222 VanDerWaalsContact O-N 3.11Å
221R98.1Very high98Very high111 Ų11145.2 Ų45.242%0.41924%0.241SC..  trans-87.757.4177.6-62.2177.560.4-177.10.1110.7L216 Q219 D223 D224 A225L216-R221 HydrophobicContact CB-CB 4.28Å; L216-R221 HydrophobicContact CD2-CB 4.32Å; L216-R221 WeakPolarHBondContact O-CA 3.37Å; L216-R221 WeakPolarHBondContact O-CB 3.48Å; L216-R221 PolarHBondContact O-N 3.45Å; Q219-R221 VanDerWaalsContact C-N 3.27Å; Q219-R221 HydrophobicContact CB-CG 4.39Å; Q219-R221 PolarHBondContact O-N 3.17Å; R221-D223 VanDerWaalsContact C-N 3.35Å; R221-D223 PolarHBondContact O-N 3.05Å; R221-D224 HydrophobicContact CB-CB 4.38Å; R221-D224 IonicContact CZ-OD2 2.68Å; R221-D224 IonicContact NE-OD2 3.1Å; R221-D224 PolarHBondContact NE-OD2 3.44Å; R221-D224 IonicContact NH2-OD2 2.7Å; R221-D224 PolarHBondContact NH2-OD2 2.75Å; R221-D224 PolarHBondContact O-N 3.31Å; R221-A225 PolarHBondContact O-N 2.88Å
222H97.5Very high98Very high58 Ų5843.3 Ų43.327%0.26923%0.231SC..Hα-helixtrans-61.8-37.8-170.5-53.2-60.9000113.8D217 G220 A225 L226 T258D217-H222 PolarHBondContact O-CE1 3.48Å; D217-H222 IonicContact OD1-CE1 3.97Å; D217-H222 PolarHBondContact OD1-CE1 2.89Å; D217-H222 IonicContact OD1-CG 2.84Å; D217-H222 IonicContact OD1-ND1 3.15Å; D217-H222 PolarHBondContact OD1-ND1 2.84Å; G220-H222 PolarHBondContact O-CD2 3.23Å; G220-H222 PolarHBondContact O-N 3.03Å; G220-H222 VanDerWaalsContact O-N 3.11Å; H222-A225 WeakPolarHBondContact O-CB 3.46Å; H222-A225 PolarHBondContact O-N 2.96Å; H222-L226 WeakPolarHBondContact O-CB 3.18Å; H222-L226 WeakPolarHBondContact O-CG 3.41Å; H222-L226 PolarHBondContact O-N 3.25Å; H222-T258 HydrophobicContact CB-CG2 3.42Å; H222-T258 VanDerWaalsContact CB-CG2 3.42Å
223D96.9Very high98Very high126 Ų12643.4 Ų43.467%0.67423%0.231SC*.Hα-helixtrans-64.9-42.8179.5-69.9-26.6000111.7R221 A225 L226 V227R221-D223 VanDerWaalsContact C-N 3.35Å; R221-D223 PolarHBondContact O-N 3.05Å; D223-A225 VanDerWaalsContact C-N 3.33Å; D223-L226 PolarHBondContact O-N 2.64Å; D223-V227 WeakPolarHBondContact O-CG2 3.37Å; D223-V227 PolarHBondContact O-N 2.91Å
224D98.1Very high97.9Very high73 Ų7348 Ų4839%0.3926%0.256SS..Hα-helixtrans-65.1-40.1176-64.3-36.7000111.1L216 R221 L228L216-D224 HydrophobicContact CD1-CB 4.05Å; R221-D224 HydrophobicContact CB-CB 4.38Å; R221-D224 IonicContact CZ-OD2 2.68Å; R221-D224 IonicContact NE-OD2 3.1Å; R221-D224 PolarHBondContact NE-OD2 3.44Å; R221-D224 IonicContact NH2-OD2 2.7Å; R221-D224 PolarHBondContact NH2-OD2 2.75Å; R221-D224 PolarHBondContact O-N 3.31Å; D224-L228 WeakPolarHBondContact O-CB 3.46Å; D224-L228 PolarHBondContact O-N 3.47Å; D224-L228 VanDerWaalsContact O-N 3.12Å
225A98.6Very high97.8Very high0 Ų047.4 Ų47.40%025%0.251CS..Hα-helixtrans-61.6-46.8175.700000111.6A213 L216 D217 R221 H222 D223 V227 L228 I229 I254A213-A225 HydrophobicContact CB-CB 4.43Å; A213-A225 VanDerWaalsContact O-CB 3.26Å; A213-A225 WeakPolarHBondContact O-CB 3.45Å; L216-A225 HydrophobicContact CB-CB 3.87Å; D217-A225 HydrophobicContact CB-CB 3.91Å; R221-A225 PolarHBondContact O-N 2.88Å; H222-A225 WeakPolarHBondContact O-CB 3.46Å; H222-A225 PolarHBondContact O-N 2.96Å; D223-A225 VanDerWaalsContact C-N 3.33Å; A225-V227 PolarHBondContact O-N 3.46Å; A225-L228 PolarHBondContact O-N 3.3Å; A225-I229 VanDerWaalsContact O-CG2 3.31Å; A225-I229 WeakPolarHBondContact O-CG2 3.36Å; A225-I229 PolarHBondContact O-N 3.34Å; A225-I254 HydrophobicContact CB-CD1 4.08Å; A225-I254 HydrophobicContact CB-CG2 4.01Å
226L98.5Very high97.7Very high21 Ų2147.2 Ų47.211%0.1125%0.25CS..Hα-helixtrans-61-44.1178.4-77.2175.5000112.1H222 D223 L228 Q230 L251 I254 L255 T258H222-L226 WeakPolarHBondContact O-CB 3.18Å; H222-L226 WeakPolarHBondContact O-CG 3.41Å; H222-L226 PolarHBondContact O-N 3.25Å; D223-L226 PolarHBondContact O-N 2.64Å; L226-L228 VanDerWaalsContact C-N 3.32Å; L226-L228 PolarHBondContact O-N 2.78Å; L226-Q230 WeakPolarHBondContact O-CB 3.09Å; L226-Q230 PolarHBondContact O-N 3.27Å; L226-L251 HydrophobicContact CD2-CD1 3.75Å; L226-I254 HydrophobicContact CD2-CB 4.1Å; L226-I254 HydrophobicContact CD2-CG2 3.56Å; L226-I254 HydrophobicContact CG-CG2 3.66Å; L226-L255 HydrophobicContact CD1-CD2 4.32Å; L226-L255 HydrophobicContact CD2-CD2 3.7Å; L226-L255 HydrophobicContact CD2-CG 3.82Å; L226-T258 HydrophobicContact CD1-CG2 4.15Å
227V98.4Very high97.5Very high103 Ų10351 Ų5162%0.62427%0.273SS*.Hα-helixtrans-59.5-46.8176.6169.40000110.5D223 A225 Q231D223-V227 WeakPolarHBondContact O-CG2 3.37Å; D223-V227 PolarHBondContact O-N 2.91Å; A225-V227 PolarHBondContact O-N 3.46Å; V227-Q231 PolarHBondContact O-N 3.42Å; V227-Q231 VanDerWaalsContact O-N 3.12Å
228L98.6Very high97.1Very high20 Ų2054.7 Ų54.711%0.10530%0.3CS..Hα-helixtrans-69.2-46.6-175.9-17463.2000112.6M209 L212 A213 L216 D224 A225 L226 Q231 A232M209-L228 HydrophobicContact CB-CD1 4.14Å; M209-L228 HydrophobicContact CB-CG 4.17Å; M209-L228 HydrophobicContact CE-CD1 3.87Å; M209-L228 WeakPolarHBondContact CE-O 3.38Å; M209-L228 HydrophobicContact CG-CD1 3.97Å; M209-L228 VanDerWaalsContact O-CD2 3.3Å; M209-L228 WeakPolarHBondContact O-CD2 3.42Å; L212-L228 HydrophobicContact CB-CD2 3.73Å; L212-L228 HydrophobicContact CD2-CD2 3.65Å; L212-L228 HydrophobicContact CG-CD2 3.59Å; A213-L228 HydrophobicContact CB-CB 4.32Å; A213-L228 HydrophobicContact CB-CD2 4.26Å; A213-L228 HydrophobicContact CB-CG 4.43Å; L216-L228 HydrophobicContact CD1-CD2 4.19Å; D224-L228 WeakPolarHBondContact O-CB 3.46Å; D224-L228 PolarHBondContact O-N 3.47Å; D224-L228 VanDerWaalsContact O-N 3.12Å; A225-L228 PolarHBondContact O-N 3.3Å; L226-L228 VanDerWaalsContact C-N 3.32Å; L226-L228 PolarHBondContact O-N 2.78Å; L228-Q231 PolarHBondContact O-N 3.44Å; L228-A232 PolarHBondContact O-N 3.01Å; L228-A232 VanDerWaalsContact O-N 3.11Å
229I98.4Very high96.9Very high0 Ų052.7 Ų52.70%029%0.292CS..Hα-helixtrans-68.5-36.4179.7-167.564.7000111.5A213 A225 Q231 A232 V233 L247 N250 L251 I254A213-I229 HydrophobicContact CB-CB 3.88Å; A225-I229 VanDerWaalsContact O-CG2 3.31Å; A225-I229 WeakPolarHBondContact O-CG2 3.36Å; A225-I229 PolarHBondContact O-N 3.34Å; I229-Q231 VanDerWaalsContact C-N 3.32Å; I229-Q231 PolarHBondContact O-N 3.23Å; I229-A232 HydrophobicContact CD1-CB 4.5Å; I229-A232 WeakPolarHBondContact O-CB 3.41Å; I229-A232 PolarHBondContact O-N 3.32Å; I229-A232 VanDerWaalsContact O-N 3.14Å; I229-V233 WeakPolarHBondContact O-CG2 3.27Å; I229-V233 PolarHBondContact O-N 3.24Å; I229-L247 HydrophobicContact CD1-CB 4.47Å; I229-L247 HydrophobicContact CD1-CD2 4.36Å; I229-N250 HydrophobicContact CD1-CB 3.96Å; I229-N250 HydrophobicContact CG1-CB 4.29Å; I229-L251 HydrophobicContact CG1-CB 3.95Å; I229-L251 HydrophobicContact CG2-CB 4.03Å; I229-L251 HydrophobicContact CG2-CD1 3.68Å; I229-L251 HydrophobicContact CG2-CG 4.42Å; I229-I254 HydrophobicContact CB-CD1 4.15Å; I229-I254 HydrophobicContact CG2-CD1 3.87Å
230Q98.2Very high96.6Very high65 Ų6559 Ų5930%0.30432%0.321SS..Hα-helixtrans-62.2-42.7175.4-174.163.661.300110.8L226 A232 V233 D234L226-Q230 WeakPolarHBondContact O-CB 3.09Å; L226-Q230 PolarHBondContact O-N 3.27Å; Q230-A232 VanDerWaalsContact C-N 3.29Å; Q230-A232 PolarHBondContact O-N 3.32Å; Q230-V233 PolarHBondContact O-N 3.28Å; Q230-D234 PolarHBondContact NE2-OD1 2.69Å; Q230-D234 PolarHBondContact O-N 3.38Å
231Q97.9Very high96.3Very high68 Ų6857.6 Ų57.632%0.31830%0.303SS..Hα-helixtrans-59.7-40.7174.5-170.7-169.90.600111.7M209 V227 L228 I229 D234 L235M209-Q231 HydrophobicContact CE-CB 3.57Å; M209-Q231 HydrophobicContact CE-CG 3.6Å; V227-Q231 PolarHBondContact O-N 3.42Å; V227-Q231 VanDerWaalsContact O-N 3.12Å; L228-Q231 PolarHBondContact O-N 3.44Å; I229-Q231 VanDerWaalsContact C-N 3.32Å; I229-Q231 PolarHBondContact O-N 3.23Å; Q231-D234 PolarHBondContact O-N 3.41Å; Q231-L235 HydrophobicContact CG-CD1 4.12Å; Q231-L235 WeakPolarHBondContact O-CB 3.46Å; Q231-L235 VanDerWaalsContact O-CG 3.29Å; Q231-L235 WeakPolarHBondContact O-CG 3.36Å; Q231-L235 PolarHBondContact O-N 3.01Å
232A98.1Very high95.9Very high0 Ų057 Ų570%031%0.314CS..Hα-helixtrans-65-43.6176.700000111.7L206 M209 L228 I229 Q230 L235 S236 L247L206-A232 HydrophobicContact CD2-CB 4.48Å; M209-A232 HydrophobicContact CB-CB 3.87Å; M209-A232 HydrophobicContact CE-CB 3.89Å; M209-A232 HydrophobicContact SD-CB 4.32Å; L228-A232 PolarHBondContact O-N 3.01Å; L228-A232 VanDerWaalsContact O-N 3.11Å; I229-A232 HydrophobicContact CD1-CB 4.5Å; I229-A232 WeakPolarHBondContact O-CB 3.41Å; I229-A232 PolarHBondContact O-N 3.32Å; I229-A232 VanDerWaalsContact O-N 3.14Å; Q230-A232 VanDerWaalsContact C-N 3.29Å; Q230-A232 PolarHBondContact O-N 3.32Å; A232-L235 PolarHBondContact O-N 3.5Å; A232-S236 VanDerWaalsContact O-CB 3.27Å; A232-S236 WeakPolarHBondContact O-CB 3.41Å; A232-S236 PolarHBondContact O-N 3.4Å; A232-S236 PolarHBondContact O-OG 3.17Å; A232-L247 HydrophobicContact CB-CD1 4.31Å; A232-L247 HydrophobicContact CB-CD2 4.35Å
233V97.9Very high95.6Very high10 Ų1058.1 Ų58.16%0.06132%0.321CS..Hα-helixtrans-59.2-48.4175.6170.10000110.5I229 Q230 L235 S236 V237 L247 V248 L251I229-V233 WeakPolarHBondContact O-CG2 3.27Å; I229-V233 PolarHBondContact O-N 3.24Å; Q230-V233 PolarHBondContact O-N 3.28Å; V233-L235 PolarHBondContact O-N 3.44Å; V233-S236 PolarHBondContact O-N 3Å; V233-S236 PolarHBondContact O-OG 3.36Å; V233-V237 PolarHBondContact O-N 3.37Å; V233-L247 HydrophobicContact CG2-CB 3.78Å; V233-V248 HydrophobicContact CG1-CG2 4.07Å; V233-V248 HydrophobicContact CG2-CG2 4.21Å; V233-L251 HydrophobicContact CG2-CB 4.45Å; V233-L251 HydrophobicContact CG2-CD2 4.28Å
234D96.9Very high95.5Very high96 Ų9652.4 Ų52.451%0.51329%0.291SS..Hα-helixtrans-63-44.4-178.9-65.6-14.1000111.9Q230 Q231 V237Q230-D234 PolarHBondContact NE2-OD1 2.69Å; Q230-D234 PolarHBondContact O-N 3.38Å; Q231-D234 PolarHBondContact O-N 3.41Å; D234-V237 PolarHBondContact O-N 3.06Å
235L96.9Very high95.4Very high34 Ų3449.1 Ų49.118%0.17827%0.273CS..Hα-helixtrans-64.1-41.2176.6-73.5169.2000111.8L206 M209 Q231 A232 V233 V237 S238 V239L206-L235 HydrophobicContact CD2-CB 3.61Å; L206-L235 HydrophobicContact CD2-CD1 4.05Å; M209-L235 HydrophobicContact CE-CD1 4.36Å; M209-L235 HydrophobicContact SD-CD1 4.32Å; Q231-L235 HydrophobicContact CG-CD1 4.12Å; Q231-L235 WeakPolarHBondContact O-CB 3.46Å; Q231-L235 VanDerWaalsContact O-CG 3.29Å; Q231-L235 WeakPolarHBondContact O-CG 3.36Å; Q231-L235 PolarHBondContact O-N 3.01Å; A232-L235 PolarHBondContact O-N 3.5Å; V233-L235 PolarHBondContact O-N 3.44Å; L235-V237 PolarHBondContact O-N 3.46Å; L235-S238 WeakPolarHBondContact O-CB 3.46Å; L235-S238 PolarHBondContact O-N 3.42Å; L235-S238 PolarHBondContact O-OG 3.09Å; L235-V239 PolarHBondContact O-N 3.13Å
236S96.3Very high95.3Very high0 Ų051.1 Ų51.10%029%0.285CS..Hα-helixtrans-63.3-27.3-178.371.80000113.7A232 V233 E240 N241 H244 L247A232-S236 VanDerWaalsContact O-CB 3.27Å; A232-S236 WeakPolarHBondContact O-CB 3.41Å; A232-S236 PolarHBondContact O-N 3.4Å; A232-S236 PolarHBondContact O-OG 3.17Å; V233-S236 PolarHBondContact O-N 3Å; V233-S236 PolarHBondContact O-OG 3.36Å; S236-E240 PolarHBondContact O-N 3.45Å; S236-N241 PolarHBondContact O-N 3.34Å; S236-H244 PolarHBondContact OG-ND1 3.34Å; S236-L247 VanDerWaalsContact CB-CD1 3.42Å
237V94.1Very high95.3Very high89 Ų8950.5 Ų50.554%0.53928%0.282SS..Hα-helixtrans-66.3-41.9172.2175.40000110.8V233 D234 L235 V239 E240 H244V233-V237 PolarHBondContact O-N 3.37Å; D234-V237 PolarHBondContact O-N 3.06Å; L235-V237 PolarHBondContact O-N 3.46Å; V237-V239 VanDerWaalsContact C-N 3.26Å; V237-V239 PolarHBondContact O-N 3.27Å; V237-E240 PolarHBondContact O-N 2.86Å; V237-H244 VanDerWaalsContact CG2-CE1 3.46Å; V237-H244 WeakPolarHBondContact CG2-CE1 3.4Å
238S89.9Confident95.3Very high87 Ų8745.6 Ų45.661%0.60825%0.252SS*.Hα-helixtrans-66.6-26.4-176.272.40000113.9L235L235-S238 WeakPolarHBondContact O-CB 3.46Å; L235-S238 PolarHBondContact O-N 3.42Å; L235-S238 PolarHBondContact O-OG 3.09Å
239V91.4Very high95.2Very high54 Ų5445.9 Ų45.933%0.32725%0.253SS..THydrogen-bonded Turntrans-10710.4-179.5-62.20000113.8D201 L206 L235 V237 N241D201-V239 HydrophobicContact CB-CG1 3.7Å; L206-V239 HydrophobicContact CD1-CG2 4.24Å; L235-V239 PolarHBondContact O-N 3.13Å; V237-V239 VanDerWaalsContact C-N 3.26Å; V237-V239 PolarHBondContact O-N 3.27Å; V239-N241 HydrophobicContact CG2-CB 4.12Å; V239-N241 PolarHBondContact O-N 3.08Å
240E90.9Very high95.2Very high179 Ų17947.2 Ų47.284%0.83626%0.26SS*.THydrogen-bonded Turntrans49.146.2-177.8-59.9-176.4170.500112.4S236 V237S236-E240 PolarHBondContact O-N 3.45Å; V237-E240 PolarHBondContact O-N 2.86Å
241N90.6Very high95.2Very high15 Ų1544.3 Ų44.38%0.0825%0.246CC..  trans-63127.2-174.5-169.8-62000111L206 S236 V239 D243 H244L206-N241 HydrophobicContact CD1-CB 4.47Å; S236-N241 PolarHBondContact O-N 3.34Å; V239-N241 HydrophobicContact CG2-CB 4.12Å; V239-N241 PolarHBondContact O-N 3.08Å; N241-D243 PolarHBondContact O-N 3.37Å; N241-D243 WeakPolarHBondContact OD1-CA 3.3Å; N241-D243 WeakPolarHBondContact OD1-CB 3.49Å; N241-D243 PolarHBondContact OD1-N 3.08Å; N241-H244 WeakPolarHBondContact O-CB 3.38Å; N241-H244 PolarHBondContact O-N 3.32Å; N241-H244 VanDerWaalsContact O-N 3.17Å
242P89.8Confident95.2Very high100 Ų10041 Ų4165%0.64923%0.231SC*.THydrogen-bonded Turntrans-64.8-22.8-178.726.9-35.3000113.5H245P242-H245 PolarHBondContact O-CE1 3.29Å; P242-H245 PolarHBondContact O-ND1 3.09Å
243D90.9Very high95.2Very high80 Ų8041.6 Ų41.643%0.42824%0.237SC..THydrogen-bonded Turntrans-99.316.7-179.5-55.9-39.4000112.3N241 H245 V246N241-D243 PolarHBondContact O-N 3.37Å; N241-D243 WeakPolarHBondContact OD1-CA 3.3Å; N241-D243 WeakPolarHBondContact OD1-CB 3.49Å; N241-D243 PolarHBondContact OD1-N 3.08Å; D243-H245 PolarHBondContact O-N 3.19Å; D243-H245 VanDerWaalsContact O-N 3.13Å; D243-V246 HydrophobicContact CB-CG2 4.3Å; D243-V246 WeakPolarHBondContact O-CB 3.33Å; D243-V246 PolarHBondContact O-N 3.19Å
244H95.2Very high95.2Very high7 Ų741.1 Ų41.13%0.03223%0.234CC..Hα-helixtrans-51.7-36.2176.517486.2000112.6S236 V237 N241 V246 L247 V248 E270 R274S236-H244 PolarHBondContact OG-ND1 3.34Å; V237-H244 VanDerWaalsContact CG2-CE1 3.46Å; V237-H244 WeakPolarHBondContact CG2-CE1 3.4Å; N241-H244 WeakPolarHBondContact O-CB 3.38Å; N241-H244 PolarHBondContact O-N 3.32Å; N241-H244 VanDerWaalsContact O-N 3.17Å; H244-V246 VanDerWaalsContact C-N 3.25Å; H244-V246 PolarHBondContact O-N 3.24Å; H244-L247 PolarHBondContact O-N 3.34Å; H244-V248 VanDerWaalsContact NE2-CG2 3.33Å; H244-V248 WeakPolarHBondContact NE2-CG2 3.48Å; H244-V248 WeakPolarHBondContact O-CG2 3.43Å; H244-V248 PolarHBondContact O-N 3.45Å; H244-V248 VanDerWaalsContact O-N 3.09Å; H244-E270 IonicContact NE2-OE1 2.67Å; H244-R274 VanDerWaalsContact CD2-CD 3.48Å; H244-R274 WeakPolarHBondContact CD2-CD 3.41Å; H244-R274 PolarHBondContact CD2-NE 2.95Å; H244-R274 PolarHBondContact CD2-NH1 3.13Å; H244-R274 PolarHBondContact NE2-NH2 2.91Å
245H96.1Very high95.3Very high4 Ų436.7 Ų36.72%0.01921%0.21CC..Hα-helixtrans-62.3-30.917859.7-77.5000113.2P242 D243 E249 R274 A275 D280P242-H245 PolarHBondContact O-CE1 3.29Å; P242-H245 PolarHBondContact O-ND1 3.09Å; D243-H245 PolarHBondContact O-N 3.19Å; D243-H245 VanDerWaalsContact O-N 3.13Å; H245-E249 VanDerWaalsContact O-CB 3.27Å; H245-E249 WeakPolarHBondContact O-CB 3.32Å; H245-E249 PolarHBondContact O-N 3.42Å; H245-R274 HydrophobicContact CB-CB 3.79Å; H245-A275 HydrophobicContact CB-CB 4.39Å; H245-D280 IonicContact CD2-OD2 2.71Å; H245-D280 IonicContact CE1-OD2 3.66Å; H245-D280 IonicContact NE2-OD2 2.72Å; H245-D280 PolarHBondContact NE2-OD2 2.9Å
246V96.6Very high95.3Very high41 Ų4135.3 Ų35.325%0.24820%0.203CC..Hα-helixtrans-69.4-38.6176.9-176.90000110.8D243 H244 E249 N250D243-V246 HydrophobicContact CB-CG2 4.3Å; D243-V246 WeakPolarHBondContact O-CB 3.33Å; D243-V246 PolarHBondContact O-N 3.19Å; H244-V246 VanDerWaalsContact C-N 3.25Å; H244-V246 PolarHBondContact O-N 3.24Å; V246-E249 WeakPolarHBondContact O-CB 3.46Å; V246-E249 PolarHBondContact O-N 3.09Å; V246-N250 PolarHBondContact O-N 3.31Å
247L97.9Very high95.2Very high9 Ų939.4 Ų39.45%0.04722%0.222CC..Hα-helixtrans-67.4-42176.7-57.1177.1000111.4L206 I229 A232 V233 S236 H244 N250 L251L206-L247 HydrophobicContact CB-CD1 4.25Å; I229-L247 HydrophobicContact CD1-CB 4.47Å; I229-L247 HydrophobicContact CD1-CD2 4.36Å; A232-L247 HydrophobicContact CB-CD1 4.31Å; A232-L247 HydrophobicContact CB-CD2 4.35Å; V233-L247 HydrophobicContact CG2-CB 3.78Å; S236-L247 VanDerWaalsContact CB-CD1 3.42Å; H244-L247 PolarHBondContact O-N 3.34Å; L247-N250 PolarHBondContact O-N 3.34Å; L247-L251 PolarHBondContact O-N 3.45Å
248V98.2Very high95.2Very high0 Ų037.4 Ų37.40%021%0.21CC..Hα-helixtrans-67.6-38.2176.9178.80000111.5V233 H244 L251 A252 F267 E270 A271V233-V248 HydrophobicContact CG1-CG2 4.07Å; V233-V248 HydrophobicContact CG2-CG2 4.21Å; H244-V248 VanDerWaalsContact NE2-CG2 3.33Å; H244-V248 WeakPolarHBondContact NE2-CG2 3.48Å; H244-V248 WeakPolarHBondContact O-CG2 3.43Å; H244-V248 PolarHBondContact O-N 3.45Å; H244-V248 VanDerWaalsContact O-N 3.09Å; V248-L251 PolarHBondContact O-N 3.4Å; V248-A252 WeakPolarHBondContact O-CB 3.48Å; V248-A252 PolarHBondContact O-N 3.05Å; V248-F267 HydrophobicContact CG1-CB 3.93Å; V248-F267 HydrophobicContact CG1-CD1 3.86Å; V248-F267 HydrophobicContact CG1-CG 4.35Å; V248-F267 WeakPolarHBondContact CG1-O 3.42Å; V248-E270 HydrophobicContact CG1-CB 4.33Å; V248-E270 HydrophobicContact CG1-CG 4.37Å; V248-A271 HydrophobicContact CB-CB 4.22Å; V248-A271 HydrophobicContact CG1-CB 4.06Å
249E97.8Very high95.4Very high26 Ų2635.6 Ų35.612%0.12121%0.205CC..Hα-helixtrans-55.8-49.4171.4173.7-161.9165.900110.8H245 V246 A252 G253 Y268 A271 R286 I287H245-E249 VanDerWaalsContact O-CB 3.27Å; H245-E249 WeakPolarHBondContact O-CB 3.32Å; H245-E249 PolarHBondContact O-N 3.42Å; V246-E249 WeakPolarHBondContact O-CB 3.46Å; V246-E249 PolarHBondContact O-N 3.09Å; E249-A252 WeakPolarHBondContact O-CB 3.26Å; E249-A252 PolarHBondContact O-N 3.17Å; E249-G253 PolarHBondContact O-N 2.84Å; E249-Y268 HydrophobicContact CG-CE1 4.45Å; E249-A271 HydrophobicContact CB-CB 4.16Å; E249-R286 WeakPolarHBondContact OE1-CB 3.34Å; E249-R286 WeakPolarHBondContact OE1-CD 3.49Å; E249-R286 IonicContact OE1-CZ 3.61Å; E249-R286 IonicContact OE1-NE 2.85Å; E249-R286 PolarHBondContact OE1-NE 3.45Å; E249-R286 IonicContact OE1-NH2 3.46Å; E249-R286 IonicContact OE2-CZ 3.3Å; E249-R286 IonicContact OE2-NE 3.16Å; E249-R286 PolarHBondContact OE2-NE 3.17Å; E249-R286 IonicContact OE2-NH2 3.69Å; E249-R286 PolarHBondContact OE2-NH2 3.22Å; E249-I287 HydrophobicContact CB-CD1 4.46Å; E249-I287 HydrophobicContact CB-CG1 4.05Å; E249-I287 HydrophobicContact CG-CG1 3.68Å
250N97.9Very high95.6Very high28 Ų2838.7 Ų38.715%0.1521%0.211CC..Hα-helixtrans-65.3-41.9-179.5-164.314.3000111.8S210 T214 I229 V246 L247 A252 G253 I254S210-N250 PolarHBondContact O-ND2 3.27Å; S210-N250 PolarHBondContact OG-ND2 3.12Å; T214-N250 PolarHBondContact OG1-ND2 3.4Å; T214-N250 PolarHBondContact OG1-OD1 3.3Å; I229-N250 HydrophobicContact CD1-CB 3.96Å; I229-N250 HydrophobicContact CG1-CB 4.29Å; V246-N250 PolarHBondContact O-N 3.31Å; L247-N250 PolarHBondContact O-N 3.34Å; N250-A252 VanDerWaalsContact C-N 3.29Å; N250-A252 PolarHBondContact O-N 3.29Å; N250-G253 PolarHBondContact O-N 2.66Å; N250-G253 VanDerWaalsContact O-N 3.17Å; N250-I254 WeakPolarHBondContact O-CG1 3.48Å; N250-I254 PolarHBondContact O-N 3.48Å
251L98.5Very high95.9Very high3 Ų331.6 Ų31.62%0.01618%0.179CC..Hα-helixtrans-56.4-43.9172.4171.461.3000111.4L226 I229 V233 L247 V248 G253 I254 L255 F267L226-L251 HydrophobicContact CD2-CD1 3.75Å; I229-L251 HydrophobicContact CG1-CB 3.95Å; I229-L251 HydrophobicContact CG2-CB 4.03Å; I229-L251 HydrophobicContact CG2-CD1 3.68Å; I229-L251 HydrophobicContact CG2-CG 4.42Å; V233-L251 HydrophobicContact CG2-CB 4.45Å; V233-L251 HydrophobicContact CG2-CD2 4.28Å; L247-L251 PolarHBondContact O-N 3.45Å; V248-L251 PolarHBondContact O-N 3.4Å; L251-G253 VanDerWaalsContact C-N 3.33Å; L251-G253 PolarHBondContact O-N 3.49Å; L251-I254 PolarHBondContact O-N 3.17Å; L251-L255 HydrophobicContact CD1-CD1 3.94Å; L251-L255 HydrophobicContact CD1-CG 4.12Å; L251-L255 HydrophobicContact CG-CD1 3.98Å; L251-L255 WeakPolarHBondContact O-CB 3.26Å; L251-L255 VanDerWaalsContact O-CG 3.26Å; L251-L255 WeakPolarHBondContact O-CG 3.45Å; L251-L255 PolarHBondContact O-N 3.09Å; L251-F267 HydrophobicContact CD2-CD1 4.12Å; L251-F267 HydrophobicContact CD2-CD2 4.23Å; L251-F267 HydrophobicContact CD2-CE1 3.93Å; L251-F267 HydrophobicContact CD2-CE2 4.05Å; L251-F267 HydrophobicContact CD2-CG 4.25Å; L251-F267 HydrophobicContact CD2-CZ 3.88Å; L251-F267 HydrophobicContact CG-CD2 4.4Å
252A98.2Very high96.1Very high0 Ų036.6 Ų36.60%021%0.205CC..Hα-helixtrans-63.5-38.1178.300000112.6V248 E249 N250 L256 S264 F267 Y268V248-A252 WeakPolarHBondContact O-CB 3.48Å; V248-A252 PolarHBondContact O-N 3.05Å; E249-A252 WeakPolarHBondContact O-CB 3.26Å; E249-A252 PolarHBondContact O-N 3.17Å; N250-A252 VanDerWaalsContact C-N 3.29Å; N250-A252 PolarHBondContact O-N 3.29Å; A252-L256 WeakPolarHBondContact O-CB 3.41Å; A252-L256 PolarHBondContact O-N 3.11Å; A252-S264 WeakPolarHBondContact O-CB 3.5Å; A252-S264 PolarHBondContact O-OG 3.34Å; A252-F267 HydrophobicContact CB-CB 3.73Å; A252-Y268 HydrophobicContact CB-CD1 3.62Å; A252-Y268 HydrophobicContact CB-CD2 3.7Å; A252-Y268 HydrophobicContact CB-CE1 3.77Å; A252-Y268 HydrophobicContact CB-CE2 3.85Å; A252-Y268 HydrophobicContact CB-CG 3.58Å
253G97.9Very high96.5Very high12 Ų1233.9 Ų33.912%0.12419%0.186CC..Hα-helixtrans-65.6-45.7174.900000113E249 N250 L251 L255 L256 H257 Y268E249-G253 PolarHBondContact O-N 2.84Å; N250-G253 PolarHBondContact O-N 2.66Å; N250-G253 VanDerWaalsContact O-N 3.17Å; L251-G253 VanDerWaalsContact C-N 3.33Å; L251-G253 PolarHBondContact O-N 3.49Å; G253-L255 VanDerWaalsContact C-N 3.33Å; G253-L255 PolarHBondContact O-N 3.15Å; G253-L256 VanDerWaalsContact O-CB 3.26Å; G253-L256 WeakPolarHBondContact O-CB 3.42Å; G253-L256 PolarHBondContact O-N 3Å; G253-L256 VanDerWaalsContact O-N 3.11Å; G253-H257 PolarHBondContact O-N 2.98Å; G253-H257 VanDerWaalsContact O-N 3.09Å; G253-Y268 VanDerWaalsContact CA-OH 3.25Å; G253-Y268 WeakPolarHBondContact CA-OH 3.25Å; G253-Y268 PolarHBondContact N-OH 3.29Å
254I98.1Very high96.8Very high0 Ų030.1 Ų30.10%017%0.165CC..Hα-helixtrans-63.8-41.2177.2-62.1164.1000110.3A213 D217 A225 L226 I229 N250 L251 L256 H257 T258A213-I254 HydrophobicContact CB-CD1 4.06Å; D217-I254 HydrophobicContact CB-CD1 4.47Å; D217-I254 HydrophobicContact CB-CG1 3.93Å; D217-I254 HydrophobicContact CB-CG2 4.45Å; A225-I254 HydrophobicContact CB-CD1 4.08Å; A225-I254 HydrophobicContact CB-CG2 4.01Å; L226-I254 HydrophobicContact CD2-CB 4.1Å; L226-I254 HydrophobicContact CD2-CG2 3.56Å; L226-I254 HydrophobicContact CG-CG2 3.66Å; I229-I254 HydrophobicContact CB-CD1 4.15Å; I229-I254 HydrophobicContact CG2-CD1 3.87Å; N250-I254 WeakPolarHBondContact O-CG1 3.48Å; N250-I254 PolarHBondContact O-N 3.48Å; L251-I254 PolarHBondContact O-N 3.17Å; I254-L256 VanDerWaalsContact C-N 3.29Å; I254-L256 PolarHBondContact O-N 3.4Å; I254-H257 PolarHBondContact O-N 3.43Å; I254-H257 VanDerWaalsContact O-N 3.17Å; I254-T258 PolarHBondContact O-N 3.03Å; I254-T258 VanDerWaalsContact O-N 3.15Å
255L98Very high96.9Very high3 Ų330.7 Ų30.72%0.01617%0.171CC..Hα-helixtrans-60.9-37.6173.8-73.2167.5000112.4L226 L251 G253 H257 T258 G259 R260 D263 F267L226-L255 HydrophobicContact CD1-CD2 4.32Å; L226-L255 HydrophobicContact CD2-CD2 3.7Å; L226-L255 HydrophobicContact CD2-CG 3.82Å; L251-L255 HydrophobicContact CD1-CD1 3.94Å; L251-L255 HydrophobicContact CD1-CG 4.12Å; L251-L255 HydrophobicContact CG-CD1 3.98Å; L251-L255 WeakPolarHBondContact O-CB 3.26Å; L251-L255 VanDerWaalsContact O-CG 3.26Å; L251-L255 WeakPolarHBondContact O-CG 3.45Å; L251-L255 PolarHBondContact O-N 3.09Å; G253-L255 VanDerWaalsContact C-N 3.33Å; G253-L255 PolarHBondContact O-N 3.15Å; L255-H257 VanDerWaalsContact C-N 3.33Å; L255-H257 PolarHBondContact O-N 3.37Å; L255-T258 PolarHBondContact O-N 2.78Å; L255-T258 PolarHBondContact O-OG1 3.02Å; L255-G259 PolarHBondContact O-N 3.37Å; L255-R260 HydrophobicContact CB-CB 4.4Å; L255-R260 HydrophobicContact CD2-CB 4.06Å; L255-R260 HydrophobicContact CD2-CG 4.5Å; L255-R260 PolarHBondContact O-N 3.33Å; L255-D263 HydrophobicContact CD1-CB 3.95Å; L255-D263 HydrophobicContact CD2-CB 4.37Å; L255-F267 HydrophobicContact CD1-CD2 3.38Å; L255-F267 HydrophobicContact CD1-CE2 3.69Å; L255-F267 HydrophobicContact CD1-CG 4.46Å
256L96.3Very high97Very high4 Ų437.5 Ų37.52%0.02120%0.197CC..Hα-helixtrans-61.7-41.2175.2-177.160.6000111.7A252 G253 I254 T258 G259 L261 Y268 E293 L294 R297A252-L256 WeakPolarHBondContact O-CB 3.41Å; A252-L256 PolarHBondContact O-N 3.11Å; G253-L256 VanDerWaalsContact O-CB 3.26Å; G253-L256 WeakPolarHBondContact O-CB 3.42Å; G253-L256 PolarHBondContact O-N 3Å; G253-L256 VanDerWaalsContact O-N 3.11Å; I254-L256 VanDerWaalsContact C-N 3.29Å; I254-L256 PolarHBondContact O-N 3.4Å; L256-T258 VanDerWaalsContact C-N 3.33Å; L256-T258 PolarHBondContact O-N 2.95Å; L256-G259 PolarHBondContact O-N 2.91Å; L256-L261 HydrophobicContact CD1-CD2 3.67Å; L256-Y268 HydrophobicContact CD2-CE2 4.3Å; L256-E293 HydrophobicContact CD2-CB 4.18Å; L256-E293 HydrophobicContact CD2-CG 3.85Å; L256-L294 HydrophobicContact CD1-CB 4.04Å; L256-L294 HydrophobicContact CD1-CD1 3.69Å; L256-L294 HydrophobicContact CD1-CG 4.49Å; L256-R297 PolarHBondContact O-NH1 3.48Å
257H95.4Very high97Very high86 Ų8636.7 Ų36.740%0.39819%0.19SC..Hα-helixtrans-65-34.5176.9-67168.7000113D217 G253 I254 L255 G259D217-H257 IonicContact OD1-ND1 2.84Å; D217-H257 PolarHBondContact OD1-ND1 2.97Å; D217-H257 IonicContact OD2-CE1 3.16Å; D217-H257 PolarHBondContact OD2-CE1 3.49Å; D217-H257 VanDerWaalsContact OD2-CE1 3.29Å; D217-H257 IonicContact OD2-CG 3.8Å; D217-H257 IonicContact OD2-ND1 3.38Å; D217-H257 PolarHBondContact OD2-ND1 3.46Å; G253-H257 PolarHBondContact O-N 2.98Å; G253-H257 VanDerWaalsContact O-N 3.09Å; I254-H257 PolarHBondContact O-N 3.43Å; I254-H257 VanDerWaalsContact O-N 3.17Å; L255-H257 VanDerWaalsContact C-N 3.33Å; L255-H257 PolarHBondContact O-N 3.37Å; H257-G259 PolarHBondContact O-N 3.04Å
258T94.5Very high97.1Very high47 Ų4737 Ų3729%0.28819%0.191SC..THydrogen-bonded Turntrans-78-0.3174.163.60000114.9H222 L226 I254 L255 L256 R260H222-T258 HydrophobicContact CB-CG2 3.42Å; H222-T258 VanDerWaalsContact CB-CG2 3.42Å; L226-T258 HydrophobicContact CD1-CG2 4.15Å; I254-T258 PolarHBondContact O-N 3.03Å; I254-T258 VanDerWaalsContact O-N 3.15Å; L255-T258 PolarHBondContact O-N 2.78Å; L255-T258 PolarHBondContact O-OG1 3.02Å; L256-T258 VanDerWaalsContact C-N 3.33Å; L256-T258 PolarHBondContact O-N 2.95Å; T258-R260 VanDerWaalsContact C-N 3.26Å; T258-R260 PolarHBondContact O-N 3.2Å; T258-R260 WeakPolarHBondContact OG1-CG 3.46Å
259G93.5Very high97Very high49 Ų4940.9 Ų40.951%0.50521%0.209SC..THydrogen-bonded Turntrans75.69.3-177.700000114.4L255 L256 H257 L261L255-G259 PolarHBondContact O-N 3.37Å; L256-G259 PolarHBondContact O-N 2.91Å; H257-G259 PolarHBondContact O-N 3.04Å; G259-L261 PolarHBondContact O-N 3.37Å
260R96Very high97Very high119 Ų11942.8 Ų42.845%0.44922%0.218SC..  trans-79.663.8175.2-66177.362.6-178.50.5110.6L255 T258 D262 D263 S264L255-R260 HydrophobicContact CB-CB 4.4Å; L255-R260 HydrophobicContact CD2-CB 4.06Å; L255-R260 HydrophobicContact CD2-CG 4.5Å; L255-R260 PolarHBondContact O-N 3.33Å; T258-R260 VanDerWaalsContact C-N 3.26Å; T258-R260 PolarHBondContact O-N 3.2Å; T258-R260 WeakPolarHBondContact OG1-CG 3.46Å; R260-D262 VanDerWaalsContact C-N 3.32Å; R260-D262 PolarHBondContact O-N 3.31Å; R260-D263 HydrophobicContact CB-CB 4.43Å; R260-D263 IonicContact CZ-OD2 3Å; R260-D263 VanDerWaalsContact CZ-OD2 3.28Å; R260-D263 IonicContact NE-OD2 2.74Å; R260-D263 PolarHBondContact NE-OD2 3.25Å; R260-D263 IonicContact NH2-OD2 3.64Å; R260-D263 PolarHBondContact NH2-OD2 3.43Å; R260-D263 PolarHBondContact O-N 3.01Å; R260-S264 WeakPolarHBondContact O-CB 3Å; R260-S264 PolarHBondContact O-N 2.87Å
261L95.9Very high96.9Very high30 Ų3041.4 Ų41.416%0.15721%0.21CC..Hα-helixtrans-61.2-36.2-168.1-54.7-173.8000113.1L256 G259 A265 L294 R297 R298L256-L261 HydrophobicContact CD1-CD2 3.67Å; G259-L261 PolarHBondContact O-N 3.37Å; L261-A265 WeakPolarHBondContact O-CB 3.27Å; L261-A265 PolarHBondContact O-N 3.15Å; L261-L294 HydrophobicContact CB-CD1 3.93Å; L261-L294 HydrophobicContact CD2-CD1 4.09Å; L261-L294 WeakPolarHBondContact O-CD1 3.18Å; L261-R297 HydrophobicContact CD1-CB 4.35Å; L261-R297 HydrophobicContact CD2-CB 4.17Å; L261-R298 HydrophobicContact CB-CG 4.2Å; L261-R298 HydrophobicContact CD1-CB 4.48Å; L261-R298 HydrophobicContact CD1-CG 3.68Å
262D95.8Very high96.9Very high120 Ų12041.8 Ų41.864%0.64221%0.212SC*.Hα-helixtrans-72.4-41.9-179.2-68.3-24.8000113R260 A265 R266 R298R260-D262 VanDerWaalsContact C-N 3.32Å; R260-D262 PolarHBondContact O-N 3.31Å; D262-A265 PolarHBondContact O-N 3.23Å; D262-R266 PolarHBondContact O-N 2.7Å; D262-R298 IonicContact OD1-CZ 3.29Å; D262-R298 IonicContact OD1-NE 3.45Å; D262-R298 IonicContact OD1-NH2 2.66Å; D262-R298 PolarHBondContact OD1-NH2 2.71Å
263D96.8Very high96.8Very high44 Ų4444.8 Ų44.824%0.23523%0.228CC..Hα-helixtrans-65-45.3174-69-38.6000110.5L255 R260 A265 R266 F267L255-D263 HydrophobicContact CD1-CB 3.95Å; L255-D263 HydrophobicContact CD2-CB 4.37Å; R260-D263 HydrophobicContact CB-CB 4.43Å; R260-D263 IonicContact CZ-OD2 3Å; R260-D263 VanDerWaalsContact CZ-OD2 3.28Å; R260-D263 IonicContact NE-OD2 2.74Å; R260-D263 PolarHBondContact NE-OD2 3.25Å; R260-D263 IonicContact NH2-OD2 3.64Å; R260-D263 PolarHBondContact NH2-OD2 3.43Å; R260-D263 PolarHBondContact O-N 3.01Å; D263-A265 VanDerWaalsContact C-N 3.33Å; D263-A265 PolarHBondContact O-N 2.89Å; D263-R266 WeakPolarHBondContact O-CB 3.43Å; D263-R266 PolarHBondContact O-N 3.36Å; D263-R266 VanDerWaalsContact O-N 3.16Å; D263-F267 WeakPolarHBondContact O-CD2 3.49Å; D263-F267 PolarHBondContact O-N 2.9Å
264S97.8Very high96.6Very high0 Ų049 Ų490%024%0.24CC..Hα-helixtrans-55.8-46.4175.7177.70000111.7A252 R260 R266 F267 Y268A252-S264 WeakPolarHBondContact O-CB 3.5Å; A252-S264 PolarHBondContact O-OG 3.34Å; R260-S264 WeakPolarHBondContact O-CB 3Å; R260-S264 PolarHBondContact O-N 2.87Å; S264-R266 VanDerWaalsContact C-N 3.32Å; S264-R266 PolarHBondContact O-N 3.09Å; S264-F267 PolarHBondContact O-N 3.38Å; S264-Y268 WeakPolarHBondContact O-CD2 3.38Å; S264-Y268 PolarHBondContact O-N 3.37Å; S264-Y268 WeakPolarHBondContact OG-CD2 3.44Å; S264-Y268 VanDerWaalsContact OG-CE2 3.31Å; S264-Y268 WeakPolarHBondContact OG-CE2 3.36Å
265A97.3Very high96.5Very high19 Ų1949 Ų4916%0.15724%0.24CC..Hα-helixtrans-57.7-43.517700000112.8L261 D262 D263 Q269 L294L261-A265 WeakPolarHBondContact O-CB 3.27Å; L261-A265 PolarHBondContact O-N 3.15Å; D262-A265 PolarHBondContact O-N 3.23Å; D263-A265 VanDerWaalsContact C-N 3.33Å; D263-A265 PolarHBondContact O-N 2.89Å; A265-Q269 WeakPolarHBondContact O-CB 3.32Å; A265-Q269 PolarHBondContact O-N 2.8Å; A265-Q269 VanDerWaalsContact O-N 3.14Å; A265-L294 HydrophobicContact CB-CD2 3.62Å
266R97.9Very high96.4Very high147 Ų14755.4 Ų55.456%0.55527%0.265SS*.Hα-helixtrans-63.6-47.9179.6-173.8-176.969.6-162.3-3.6111.1D262 D263 S264 Q269 E270D262-R266 PolarHBondContact O-N 2.7Å; D263-R266 WeakPolarHBondContact O-CB 3.43Å; D263-R266 PolarHBondContact O-N 3.36Å; D263-R266 VanDerWaalsContact O-N 3.16Å; S264-R266 VanDerWaalsContact C-N 3.32Å; S264-R266 PolarHBondContact O-N 3.09Å; R266-Q269 PolarHBondContact O-N 3.3Å; R266-E270 PolarHBondContact O-N 3.16Å
267F98.2Very high96.3Very high25 Ų2563.1 Ų63.111%0.1130%0.3CS..Hα-helixtrans-71.2-37.4-178-72.9-64.3000112.7V248 L251 A252 L255 D263 S264 Q269 E270 A271V248-F267 HydrophobicContact CG1-CB 3.93Å; V248-F267 HydrophobicContact CG1-CD1 3.86Å; V248-F267 HydrophobicContact CG1-CG 4.35Å; V248-F267 WeakPolarHBondContact CG1-O 3.42Å; L251-F267 HydrophobicContact CD2-CD1 4.12Å; L251-F267 HydrophobicContact CD2-CD2 4.23Å; L251-F267 HydrophobicContact CD2-CE1 3.93Å; L251-F267 HydrophobicContact CD2-CE2 4.05Å; L251-F267 HydrophobicContact CD2-CG 4.25Å; L251-F267 HydrophobicContact CD2-CZ 3.88Å; L251-F267 HydrophobicContact CG-CD2 4.4Å; A252-F267 HydrophobicContact CB-CB 3.73Å; L255-F267 HydrophobicContact CD1-CD2 3.38Å; L255-F267 HydrophobicContact CD1-CE2 3.69Å; L255-F267 HydrophobicContact CD1-CG 4.46Å; D263-F267 WeakPolarHBondContact O-CD2 3.49Å; D263-F267 PolarHBondContact O-N 2.9Å; S264-F267 PolarHBondContact O-N 3.38Å; F267-Q269 VanDerWaalsContact C-N 3.27Å; F267-Q269 PolarHBondContact O-N 3.04Å; F267-E270 PolarHBondContact O-N 3.31Å; F267-A271 WeakPolarHBondContact O-CB 3.43Å; F267-A271 PolarHBondContact O-N 3.46Å
268Y98.3Very high96.2Very high15 Ų1561.9 Ų61.96%0.05931%0.305CS..Hα-helixtrans-60.3-38.7171.6-84.9-52.9000112.3E249 A252 G253 L256 S264 A271 L272 I287 L291 L294E249-Y268 HydrophobicContact CG-CE1 4.45Å; A252-Y268 HydrophobicContact CB-CD1 3.62Å; A252-Y268 HydrophobicContact CB-CD2 3.7Å; A252-Y268 HydrophobicContact CB-CE1 3.77Å; A252-Y268 HydrophobicContact CB-CE2 3.85Å; A252-Y268 HydrophobicContact CB-CG 3.58Å; G253-Y268 VanDerWaalsContact CA-OH 3.25Å; G253-Y268 WeakPolarHBondContact CA-OH 3.25Å; G253-Y268 PolarHBondContact N-OH 3.29Å; L256-Y268 HydrophobicContact CD2-CE2 4.3Å; S264-Y268 WeakPolarHBondContact O-CD2 3.38Å; S264-Y268 PolarHBondContact O-N 3.37Å; S264-Y268 WeakPolarHBondContact OG-CD2 3.44Å; S264-Y268 VanDerWaalsContact OG-CE2 3.31Å; S264-Y268 WeakPolarHBondContact OG-CE2 3.36Å; Y268-A271 PolarHBondContact O-N 3.43Å; Y268-L272 VanDerWaalsContact O-CB 3.26Å; Y268-L272 WeakPolarHBondContact O-CB 3.43Å; Y268-L272 PolarHBondContact O-N 2.9Å; Y268-I287 HydrophobicContact CD1-CG2 4.07Å; Y268-L291 HydrophobicContact CD2-CD2 4.31Å; Y268-L291 HydrophobicContact CG-CD2 4.13Å; Y268-L291 HydrophobicContact CG-CG 4.25Å; Y268-L294 HydrophobicContact CD2-CD2 4.47Å
269Q97.6Very high96.2Very high82 Ų8262.4 Ų62.438%0.38332%0.32SS..Hα-helixtrans-66.4-41.9176.4-174.356.953.200111.8A265 R266 F267 L272 D273A265-Q269 WeakPolarHBondContact O-CB 3.32Å; A265-Q269 PolarHBondContact O-N 2.8Å; A265-Q269 VanDerWaalsContact O-N 3.14Å; R266-Q269 PolarHBondContact O-N 3.3Å; F267-Q269 VanDerWaalsContact C-N 3.27Å; F267-Q269 PolarHBondContact O-N 3.04Å; Q269-L272 PolarHBondContact O-N 3.18Å; Q269-D273 VanDerWaalsContact NE2-CG 3.32Å; Q269-D273 PolarHBondContact NE2-OD1 2.89Å; Q269-D273 VanDerWaalsContact NE2-OD1 3.16Å; Q269-D273 PolarHBondContact NE2-OD2 3.44Å; Q269-D273 PolarHBondContact O-N 2.85Å; Q269-D273 VanDerWaalsContact O-N 3.1Å
270E96.6Very high96.3Very high65 Ų6562.1 Ų62.130%0.30431%0.307SS..Hα-helixtrans-60.4-48.9173.8178.4174.4-178.400111.9H244 V248 R266 F267 L272 D273 R274H244-E270 IonicContact NE2-OE1 2.67Å; V248-E270 HydrophobicContact CG1-CB 4.33Å; V248-E270 HydrophobicContact CG1-CG 4.37Å; R266-E270 PolarHBondContact O-N 3.16Å; F267-E270 PolarHBondContact O-N 3.31Å; E270-L272 VanDerWaalsContact C-N 3.28Å; E270-L272 PolarHBondContact O-N 3.45Å; E270-D273 PolarHBondContact O-N 3.37Å; E270-R274 PolarHBondContact O-N 3.48Å; E270-R274 VanDerWaalsContact O-N 3.15Å; E270-R274 IonicContact OE1-CZ 3.87Å; E270-R274 IonicContact OE1-NE 3.38Å; E270-R274 PolarHBondContact OE1-NE 2.98Å; E270-R274 IonicContact OE1-NH2 3.17Å; E270-R274 PolarHBondContact OE1-NH2 2.95Å; E270-R274 VanDerWaalsContact OE1-NH2 3.16Å
271A97.4Very high96.2Very high0 Ų061.8 Ų61.80%031%0.31CS..Hα-helixtrans-58.5-42.2177.600000111.2V248 E249 F267 Y268 R274 A275 I287V248-A271 HydrophobicContact CB-CB 4.22Å; V248-A271 HydrophobicContact CG1-CB 4.06Å; E249-A271 HydrophobicContact CB-CB 4.16Å; F267-A271 WeakPolarHBondContact O-CB 3.43Å; F267-A271 PolarHBondContact O-N 3.46Å; Y268-A271 PolarHBondContact O-N 3.43Å; A271-R274 PolarHBondContact O-N 3.05Å; A271-A275 VanDerWaalsContact O-CB 3.23Å; A271-A275 WeakPolarHBondContact O-CB 3.42Å; A271-A275 PolarHBondContact O-N 3.05Å; A271-I287 HydrophobicContact CB-CD1 3.76Å; A271-I287 HydrophobicContact CB-CG1 4.28Å
272L97.6Very high96.1Very high10 Ų1062.7 Ų62.75%0.05232%0.322CS..Hα-helixtrans-61.5-46.4179.7-17662.3000112.1Y268 Q269 E270 R274 A275 R276 L284 I287 L291Y268-L272 VanDerWaalsContact O-CB 3.26Å; Y268-L272 WeakPolarHBondContact O-CB 3.43Å; Y268-L272 PolarHBondContact O-N 2.9Å; Q269-L272 PolarHBondContact O-N 3.18Å; E270-L272 VanDerWaalsContact C-N 3.28Å; E270-L272 PolarHBondContact O-N 3.45Å; L272-R274 VanDerWaalsContact C-N 3.34Å; L272-A275 PolarHBondContact O-N 3.29Å; L272-R276 VanDerWaalsContact O-CG 3.3Å; L272-R276 WeakPolarHBondContact O-CG 3.31Å; L272-R276 PolarHBondContact O-N 3.32Å; L272-L284 HydrophobicContact CD1-CD2 3.65Å; L272-I287 HydrophobicContact CB-CG2 3.92Å; L272-I287 HydrophobicContact CD1-CG2 4.06Å; L272-I287 HydrophobicContact CG-CG2 4.5Å; L272-L291 HydrophobicContact CD2-CD1 4.1Å
273D96.1Very high96.1Very high64 Ų6457 Ų5734%0.34229%0.292SS..Hα-helixtrans-68.5-36.6-177.4-69.2-30000111.6Q269 E270 R276 Q277Q269-D273 VanDerWaalsContact NE2-CG 3.32Å; Q269-D273 PolarHBondContact NE2-OD1 2.89Å; Q269-D273 VanDerWaalsContact NE2-OD1 3.16Å; Q269-D273 PolarHBondContact NE2-OD2 3.44Å; Q269-D273 PolarHBondContact O-N 2.85Å; Q269-D273 VanDerWaalsContact O-N 3.1Å; E270-D273 PolarHBondContact O-N 3.37Å; D273-R276 IonicContact OD1-NH1 3.28Å; D273-R276 PolarHBondContact OD1-NH1 3.4Å; D273-Q277 VanDerWaalsContact O-CG 3.3Å; D273-Q277 WeakPolarHBondContact O-CG 3.42Å; D273-Q277 PolarHBondContact O-N 3.1Å
274R94.6Very high96Very high99 Ų9955.9 Ų55.937%0.37429%0.285SS..Hα-helixtrans-71.6-43.3174-69.9-176.1-176.3-115.113.1112.8H244 H245 E270 A271 L272 R276 Q277 A278H244-R274 VanDerWaalsContact CD2-CD 3.48Å; H244-R274 WeakPolarHBondContact CD2-CD 3.41Å; H244-R274 PolarHBondContact CD2-NE 2.95Å; H244-R274 PolarHBondContact CD2-NH1 3.13Å; H244-R274 PolarHBondContact NE2-NH2 2.91Å; H245-R274 HydrophobicContact CB-CB 3.79Å; E270-R274 PolarHBondContact O-N 3.48Å; E270-R274 VanDerWaalsContact O-N 3.15Å; E270-R274 IonicContact OE1-CZ 3.87Å; E270-R274 IonicContact OE1-NE 3.38Å; E270-R274 PolarHBondContact OE1-NE 2.98Å; E270-R274 IonicContact OE1-NH2 3.17Å; E270-R274 PolarHBondContact OE1-NH2 2.95Å; E270-R274 VanDerWaalsContact OE1-NH2 3.16Å; A271-R274 PolarHBondContact O-N 3.05Å; L272-R274 VanDerWaalsContact C-N 3.34Å; R274-R276 PolarHBondContact O-N 3.11Å; R274-Q277 WeakPolarHBondContact O-CB 3.37Å; R274-Q277 PolarHBondContact O-N 3.37Å; R274-A278 PolarHBondContact O-N 3.43Å
275A96Very high96Very high0 Ų060.9 Ų60.90%031%0.309CS..Hα-helixtrans-59.3-37.3176.300000111.7H245 A271 L272 A278 G279 D280 A283 L284 I287H245-A275 HydrophobicContact CB-CB 4.39Å; A271-A275 VanDerWaalsContact O-CB 3.23Å; A271-A275 WeakPolarHBondContact O-CB 3.42Å; A271-A275 PolarHBondContact O-N 3.05Å; L272-A275 PolarHBondContact O-N 3.29Å; A275-A278 PolarHBondContact O-N 2.94Å; A275-G279 PolarHBondContact O-N 2.97Å; A275-D280 PolarHBondContact O-N 3.17Å; A275-D280 VanDerWaalsContact O-N 3.09Å; A275-A283 HydrophobicContact CB-CB 4.08Å; A275-L284 HydrophobicContact CB-CD2 3.7Å; A275-L284 HydrophobicContact CB-CG 4.2Å; A275-I287 HydrophobicContact CB-CD1 3.95Å
276R95.9Very high95.9Very high139 Ų13964.9 Ų64.953%0.52532%0.32SS..Hα-helixtrans-63.8-41.6172.8-74.7175-178.2149.9-4112.6L272 D273 R274 A278 G279 L284L272-R276 VanDerWaalsContact O-CG 3.3Å; L272-R276 WeakPolarHBondContact O-CG 3.31Å; L272-R276 PolarHBondContact O-N 3.32Å; D273-R276 IonicContact OD1-NH1 3.28Å; D273-R276 PolarHBondContact OD1-NH1 3.4Å; R274-R276 PolarHBondContact O-N 3.11Å; R276-A278 VanDerWaalsContact C-N 3.33Å; R276-G279 PolarHBondContact O-N 3.34Å; R276-L284 HydrophobicContact CG-CD1 4.4Å; R276-L284 HydrophobicContact CG-CD2 3.62Å
277Q93.7Very high95.8Very high165 Ų16557.9 Ų57.977%0.77129%0.294SS*.Hα-helixtrans-66.4-37.5177.2-69.7168.923.600111.5D273 R274 G279D273-Q277 VanDerWaalsContact O-CG 3.3Å; D273-Q277 WeakPolarHBondContact O-CG 3.42Å; D273-Q277 PolarHBondContact O-N 3.1Å; R274-Q277 WeakPolarHBondContact O-CB 3.37Å; R274-Q277 PolarHBondContact O-N 3.37Å; Q277-G279 VanDerWaalsContact C-N 3.31Å
278A93Very high95.8Very high61 Ų6161.7 Ų61.750%0.50431%0.312SS..Hα-helixtrans-74.4-19.7176.300000113.4R274 A275 R276 D280R274-A278 PolarHBondContact O-N 3.43Å; A275-A278 PolarHBondContact O-N 2.94Å; R276-A278 VanDerWaalsContact C-N 3.33Å; A278-D280 VanDerWaalsContact C-N 3.27Å; A278-D280 HydrophobicContact CB-CB 4.47Å
279G94.4Very high95.6Very high58 Ų5866.1 Ų66.160%0.59834%0.337SS*.THydrogen-bonded Turntrans70.223.6-172.900000113.3A275 R276 Q277 Q281A275-G279 PolarHBondContact O-N 2.97Å; R276-G279 PolarHBondContact O-N 3.34Å; Q277-G279 VanDerWaalsContact C-N 3.31Å; G279-Q281 PolarHBondContact O-N 3.32Å; G279-Q281 VanDerWaalsContact O-N 3.12Å
280D95Very high95.6Very high42 Ų4262.7 Ų62.723%0.22532%0.323CS..  trans-81.789.3-179.4-176.5-9.7000110.7H245 A275 A278 A282 A283 L284H245-D280 IonicContact CD2-OD2 2.71Å; H245-D280 IonicContact CE1-OD2 3.66Å; H245-D280 IonicContact NE2-OD2 2.72Å; H245-D280 PolarHBondContact NE2-OD2 2.9Å; A275-D280 PolarHBondContact O-N 3.17Å; A275-D280 VanDerWaalsContact O-N 3.09Å; A278-D280 VanDerWaalsContact C-N 3.27Å; A278-D280 HydrophobicContact CB-CB 4.47Å; D280-A282 VanDerWaalsContact C-N 3.26Å; D280-A282 PolarHBondContact O-N 3.33Å; D280-A282 PolarHBondContact OD1-N 3.18Å; D280-A282 VanDerWaalsContact OD1-N 3.15Å; D280-A283 HydrophobicContact CB-CB 4.09Å; D280-A283 VanDerWaalsContact CG-CB 3.47Å; D280-A283 PolarHBondContact O-N 3.08Å; D280-A283 PolarHBondContact OD1-N 3.36Å; D280-A283 VanDerWaalsContact OD2-CB 3.32Å; D280-A283 WeakPolarHBondContact OD2-CB 3.17Å; D280-L284 VanDerWaalsContact O-CG 3.3Å; D280-L284 WeakPolarHBondContact O-CG 3.15Å; D280-L284 PolarHBondContact O-N 3.18Å; D280-L284 VanDerWaalsContact O-N 3.08Å
281Q94.6Very high95.6Very high113 Ų11360.7 Ų60.753%0.52831%0.314SS..Hα-helixtrans-61-33.9-178.2-172.860.824.200113.1G279 L284 E285G279-Q281 PolarHBondContact O-N 3.32Å; G279-Q281 VanDerWaalsContact O-N 3.12Å; Q281-L284 PolarHBondContact O-N 3.31Å; Q281-E285 PolarHBondContact NE2-OE1 3.14Å; Q281-E285 PolarHBondContact O-N 3.05Å
282A93.7Very high95.6Very high49 Ų4965 Ų6541%0.40534%0.335SS..Hα-helixtrans-70.4-41.2-178.900000111.2D280 L284 E285 R286D280-A282 VanDerWaalsContact C-N 3.26Å; D280-A282 PolarHBondContact O-N 3.33Å; D280-A282 PolarHBondContact OD1-N 3.18Å; D280-A282 VanDerWaalsContact OD1-N 3.15Å; A282-L284 VanDerWaalsContact C-N 3.34Å; A282-E285 PolarHBondContact O-N 3.22Å; A282-R286 PolarHBondContact O-N 3.35Å; A282-R286 PolarHBondContact O-NH1 2.92Å
283A94.8Very high95.5Very high0 Ų067.8 Ų67.80%035%0.347CS..Hα-helixtrans-64.6-38.9172.600000112.1A275 D280 E285 R286 I287A275-A283 HydrophobicContact CB-CB 4.08Å; D280-A283 HydrophobicContact CB-CB 4.09Å; D280-A283 VanDerWaalsContact CG-CB 3.47Å; D280-A283 PolarHBondContact O-N 3.08Å; D280-A283 PolarHBondContact OD1-N 3.36Å; D280-A283 VanDerWaalsContact OD2-CB 3.32Å; D280-A283 WeakPolarHBondContact OD2-CB 3.17Å; A283-E285 VanDerWaalsContact C-N 3.28Å; A283-E285 PolarHBondContact O-N 3.32Å; A283-R286 PolarHBondContact O-N 2.89Å; A283-I287 HydrophobicContact CB-CD1 4.31Å; A283-I287 WeakPolarHBondContact O-CB 3.48Å; A283-I287 WeakPolarHBondContact O-CD1 3.34Å; A283-I287 WeakPolarHBondContact O-CG1 3.3Å; A283-I287 PolarHBondContact O-N 3.38Å
284L96.6Very high95.5Very high20 Ų2064.9 Ų64.911%0.10533%0.332CS..Hα-helixtrans-58.8-39.6177.3-69177000112.7L272 A275 R276 D280 Q281 A282 Q288L272-L284 HydrophobicContact CD1-CD2 3.65Å; A275-L284 HydrophobicContact CB-CD2 3.7Å; A275-L284 HydrophobicContact CB-CG 4.2Å; R276-L284 HydrophobicContact CG-CD1 4.4Å; R276-L284 HydrophobicContact CG-CD2 3.62Å; D280-L284 VanDerWaalsContact O-CG 3.3Å; D280-L284 WeakPolarHBondContact O-CG 3.15Å; D280-L284 PolarHBondContact O-N 3.18Å; D280-L284 VanDerWaalsContact O-N 3.08Å; Q281-L284 PolarHBondContact O-N 3.31Å; A282-L284 VanDerWaalsContact C-N 3.34Å; L284-Q288 WeakPolarHBondContact O-CB 3.45Å; L284-Q288 WeakPolarHBondContact O-CG 3.36Å; L284-Q288 PolarHBondContact O-N 3.35Å; L284-Q288 VanDerWaalsContact O-N 3.17Å; L284-Q288 PolarHBondContact O-NE2 3.05Å
285E96.1Very high95.6Very high106 Ų10667.5 Ų67.550%0.49534%0.342SS..Hα-helixtrans-66.4-51.1177.2-72.7169.5-166.700111Q281 A282 A283 I287 Q288 D289Q281-E285 PolarHBondContact NE2-OE1 3.14Å; Q281-E285 PolarHBondContact O-N 3.05Å; A282-E285 PolarHBondContact O-N 3.22Å; A283-E285 VanDerWaalsContact C-N 3.28Å; A283-E285 PolarHBondContact O-N 3.32Å; E285-I287 PolarHBondContact O-N 3.36Å; E285-Q288 WeakPolarHBondContact O-CB 3.47Å; E285-Q288 PolarHBondContact O-N 3.16Å; E285-Q288 VanDerWaalsContact O-N 3.11Å; E285-D289 PolarHBondContact O-N 3.43Å; E285-D289 VanDerWaalsContact O-N 3.1Å
286R95.3Very high95.6Very high103 Ų10372.9 Ų72.939%0.38937%0.365SS..Hα-helixtrans-61.9-40.3179.4-64.1-171.9-55.1-89.70.5113.4E249 A282 A283 Q288 D289 G290E249-R286 WeakPolarHBondContact OE1-CB 3.34Å; E249-R286 WeakPolarHBondContact OE1-CD 3.49Å; E249-R286 IonicContact OE1-CZ 3.61Å; E249-R286 IonicContact OE1-NE 2.85Å; E249-R286 PolarHBondContact OE1-NE 3.45Å; E249-R286 IonicContact OE1-NH2 3.46Å; E249-R286 IonicContact OE2-CZ 3.3Å; E249-R286 IonicContact OE2-NE 3.16Å; E249-R286 PolarHBondContact OE2-NE 3.17Å; E249-R286 IonicContact OE2-NH2 3.69Å; E249-R286 PolarHBondContact OE2-NH2 3.22Å; A282-R286 PolarHBondContact O-N 3.35Å; A282-R286 PolarHBondContact O-NH1 2.92Å; A283-R286 PolarHBondContact O-N 2.89Å; R286-Q288 VanDerWaalsContact C-N 3.29Å; R286-Q288 PolarHBondContact O-N 3.49Å; R286-D289 PolarHBondContact O-N 3.12Å; R286-G290 PolarHBondContact O-N 3.48Å
287I97.3Very high95.5Very high0 Ų070.3 Ų70.30%036%0.355CS..Hα-helixtrans-64.1-37176.7-67.9161.5000110.8E249 Y268 A271 L272 A275 A283 E285 G290 L291E249-I287 HydrophobicContact CB-CD1 4.46Å; E249-I287 HydrophobicContact CB-CG1 4.05Å; E249-I287 HydrophobicContact CG-CG1 3.68Å; Y268-I287 HydrophobicContact CD1-CG2 4.07Å; A271-I287 HydrophobicContact CB-CD1 3.76Å; A271-I287 HydrophobicContact CB-CG1 4.28Å; L272-I287 HydrophobicContact CB-CG2 3.92Å; L272-I287 HydrophobicContact CD1-CG2 4.06Å; L272-I287 HydrophobicContact CG-CG2 4.5Å; A275-I287 HydrophobicContact CB-CD1 3.95Å; A283-I287 HydrophobicContact CB-CD1 4.31Å; A283-I287 WeakPolarHBondContact O-CB 3.48Å; A283-I287 WeakPolarHBondContact O-CD1 3.34Å; A283-I287 WeakPolarHBondContact O-CG1 3.3Å; A283-I287 PolarHBondContact O-N 3.38Å; E285-I287 PolarHBondContact O-N 3.36Å; I287-G290 PolarHBondContact O-N 3.25Å; I287-L291 HydrophobicContact CG2-CD1 4.04Å; I287-L291 HydrophobicContact CG2-CG 4.43Å; I287-L291 WeakPolarHBondContact O-CB 3.26Å; I287-L291 WeakPolarHBondContact O-CG 3.23Å; I287-L291 PolarHBondContact O-N 2.8Å
288Q96.3Very high95.5Very high104 Ų10466.8 Ų66.849%0.48634%0.335SS..Hα-helixtrans-65.5-41.9176.6-76.4168.341.200112L284 E285 R286 L291 E292L284-Q288 WeakPolarHBondContact O-CB 3.45Å; L284-Q288 WeakPolarHBondContact O-CG 3.36Å; L284-Q288 PolarHBondContact O-N 3.35Å; L284-Q288 VanDerWaalsContact O-N 3.17Å; L284-Q288 PolarHBondContact O-NE2 3.05Å; E285-Q288 WeakPolarHBondContact O-CB 3.47Å; E285-Q288 PolarHBondContact O-N 3.16Å; E285-Q288 VanDerWaalsContact O-N 3.11Å; R286-Q288 VanDerWaalsContact C-N 3.29Å; R286-Q288 PolarHBondContact O-N 3.49Å; Q288-L291 PolarHBondContact O-N 2.83Å; Q288-E292 PolarHBondContact O-N 3.45Å
289D96Very high95.5Very high109 Ų10967.1 Ų67.158%0.58333%0.334SS*.Hα-helixtrans-60.4-45.9175.1-67.1-18.8000111E285 R286 L291 E292 E293E285-D289 PolarHBondContact O-N 3.43Å; E285-D289 VanDerWaalsContact O-N 3.1Å; R286-D289 PolarHBondContact O-N 3.12Å; D289-L291 PolarHBondContact O-N 3.15Å; D289-E292 WeakPolarHBondContact O-CB 3.3Å; D289-E292 PolarHBondContact O-N 3.34Å; D289-E293 PolarHBondContact O-N 3.1Å
290G96.1Very high95.3Very high10 Ų1068.9 Ų68.910%0.10333%0.326CS..Hα-helixtrans-61-41.5175.700000113.4R286 I287 E292 E293 L294R286-G290 PolarHBondContact O-N 3.48Å; I287-G290 PolarHBondContact O-N 3.25Å; G290-E292 VanDerWaalsContact C-N 3.34Å; G290-E292 PolarHBondContact O-N 3.04Å; G290-E293 PolarHBondContact O-N 3.33Å; G290-L294 WeakPolarHBondContact O-CB 3.3Å; G290-L294 PolarHBondContact O-N 2.96Å
291L96.9Very high94.9Very high22 Ų2268.7 Ų68.712%0.11533%0.331CS..Hα-helixtrans-66-33.5174.8-77.3171.5000112.8Y268 L272 I287 Q288 D289 L294 R295Y268-L291 HydrophobicContact CD2-CD2 4.31Å; Y268-L291 HydrophobicContact CG-CD2 4.13Å; Y268-L291 HydrophobicContact CG-CG 4.25Å; L272-L291 HydrophobicContact CD2-CD1 4.1Å; I287-L291 HydrophobicContact CG2-CD1 4.04Å; I287-L291 HydrophobicContact CG2-CG 4.43Å; I287-L291 WeakPolarHBondContact O-CB 3.26Å; I287-L291 WeakPolarHBondContact O-CG 3.23Å; I287-L291 PolarHBondContact O-N 2.8Å; Q288-L291 PolarHBondContact O-N 2.83Å; D289-L291 PolarHBondContact O-N 3.15Å; L291-L294 HydrophobicContact CD2-CD2 4.11Å; L291-R295 WeakPolarHBondContact O-CG 3.43Å; L291-R295 PolarHBondContact O-N 3.42Å; L291-R295 VanDerWaalsContact O-N 3.17Å
292E96.7Very high94.5Very high91 Ų9169 Ų6943%0.42533%0.333SS..Hα-helixtrans-66.3-46.3174.2-167.7-174.414200111.1Q288 D289 G290 L294 R295 K296Q288-E292 PolarHBondContact O-N 3.45Å; D289-E292 WeakPolarHBondContact O-CB 3.3Å; D289-E292 PolarHBondContact O-N 3.34Å; G290-E292 VanDerWaalsContact C-N 3.34Å; G290-E292 PolarHBondContact O-N 3.04Å; E292-L294 VanDerWaalsContact C-N 3.35Å; E292-L294 PolarHBondContact O-N 2.95Å; E292-R295 WeakPolarHBondContact O-CB 3.18Å; E292-R295 PolarHBondContact O-N 2.97Å; E292-K296 PolarHBondContact O-N 3.22Å; E292-K296 VanDerWaalsContact O-N 3.1Å; E292-K296 WeakPolarHBondContact OE1-CE 3.34Å; E292-K296 IonicContact OE1-NZ 3.77Å; E292-K296 PolarHBondContact OE1-NZ 3.11Å
293E96.2Very high94.3Very high68 Ų6872.4 Ų72.432%0.31834%0.339SS..Hα-helixtrans-61.5-43.1176.6178.756.1-16100111.8L256 D289 G290 R295 K296 R297L256-E293 HydrophobicContact CD2-CB 4.18Å; L256-E293 HydrophobicContact CD2-CG 3.85Å; D289-E293 PolarHBondContact O-N 3.1Å; G290-E293 PolarHBondContact O-N 3.33Å; E293-R295 VanDerWaalsContact C-N 3.3Å; E293-R295 PolarHBondContact O-N 3.02Å; E293-K296 WeakPolarHBondContact O-CB 3.49Å; E293-K296 PolarHBondContact O-N 3.47Å; E293-K296 VanDerWaalsContact O-N 3.11Å; E293-R297 PolarHBondContact O-N 3.1Å; E293-R297 IonicContact OE1-CZ 2.69Å; E293-R297 IonicContact OE1-NE 3.85Å; E293-R297 PolarHBondContact OE1-NE 3.17Å; E293-R297 IonicContact OE1-NH2 3.85Å; E293-R297 PolarHBondContact OE1-NH2 2.94Å
294L96.6Very high93.7Very high4 Ų477 Ų772%0.02136%0.364CS..Hα-helixtrans-54.7-43.7173.3173.970.1000112.5L256 L261 A265 Y268 G290 L291 E292 R297 R298L256-L294 HydrophobicContact CD1-CB 4.04Å; L256-L294 HydrophobicContact CD1-CD1 3.69Å; L256-L294 HydrophobicContact CD1-CG 4.49Å; L261-L294 HydrophobicContact CB-CD1 3.93Å; L261-L294 HydrophobicContact CD2-CD1 4.09Å; L261-L294 WeakPolarHBondContact O-CD1 3.18Å; A265-L294 HydrophobicContact CB-CD2 3.62Å; Y268-L294 HydrophobicContact CD2-CD2 4.47Å; G290-L294 WeakPolarHBondContact O-CB 3.3Å; G290-L294 PolarHBondContact O-N 2.96Å; L291-L294 HydrophobicContact CD2-CD2 4.11Å; E292-L294 VanDerWaalsContact C-N 3.35Å; E292-L294 PolarHBondContact O-N 2.95Å; L294-R297 PolarHBondContact O-N 3.32Å; L294-R298 PolarHBondContact O-N 3.3Å
295R96.4Very high92.9Very high154 Ų15483.8 Ų83.858%0.58140%0.395SS*.Hα-helixtrans-64.8-38.8177.4-71.4174.6-163.5132.13.9112.1L291 E292 E293 S299L291-R295 WeakPolarHBondContact O-CG 3.43Å; L291-R295 PolarHBondContact O-N 3.42Å; L291-R295 VanDerWaalsContact O-N 3.17Å; E292-R295 WeakPolarHBondContact O-CB 3.18Å; E292-R295 PolarHBondContact O-N 2.97Å; E293-R295 VanDerWaalsContact C-N 3.3Å; E293-R295 PolarHBondContact O-N 3.02Å; R295-S299 WeakPolarHBondContact O-CB 3.43Å; R295-S299 PolarHBondContact O-N 2.96Å; R295-S299 PolarHBondContact O-OG 3.16Å
296K95.6Very high91.8Very high112 Ų11286.1 Ų86.149%0.48741%0.406SS..Hα-helixtrans-61.8-49.9175.6-70.2172.2-175.21600110.5E292 E293 R298 S299 Q300E292-K296 PolarHBondContact O-N 3.22Å; E292-K296 VanDerWaalsContact O-N 3.1Å; E292-K296 WeakPolarHBondContact OE1-CE 3.34Å; E292-K296 IonicContact OE1-NZ 3.77Å; E292-K296 PolarHBondContact OE1-NZ 3.11Å; E293-K296 WeakPolarHBondContact O-CB 3.49Å; E293-K296 PolarHBondContact O-N 3.47Å; E293-K296 VanDerWaalsContact O-N 3.11Å; K296-R298 PolarHBondContact O-N 2.72Å; K296-S299 PolarHBondContact O-N 2.99Å; K296-Q300 PolarHBondContact O-N 3.46Å
297R94.8Very high90.2Very high85 Ų8590.6 Ų90.632%0.32144%0.437SS..Hα-helixtrans-62.3-42.5179.2-65.5-166.5-170.7-164.3-3113.2L256 L261 E293 L294 S299 Q300 A301L256-R297 PolarHBondContact O-NH1 3.48Å; L261-R297 HydrophobicContact CD1-CB 4.35Å; L261-R297 HydrophobicContact CD2-CB 4.17Å; E293-R297 PolarHBondContact O-N 3.1Å; E293-R297 IonicContact OE1-CZ 2.69Å; E293-R297 IonicContact OE1-NE 3.85Å; E293-R297 PolarHBondContact OE1-NE 3.17Å; E293-R297 IonicContact OE1-NH2 3.85Å; E293-R297 PolarHBondContact OE1-NH2 2.94Å; L294-R297 PolarHBondContact O-N 3.32Å; R297-S299 VanDerWaalsContact C-N 3.33Å; R297-S299 PolarHBondContact O-N 3.18Å; R297-Q300 PolarHBondContact O-N 3.17Å; R297-A301 PolarHBondContact O-N 3.28Å
298R93.3Very high89.8Confident92 Ų9295.1 Ų95.135%0.34746%0.459SS..Hα-helixtrans-61.2-41.9174.9-80-176.3163.2166.9-6.3112.4L261 D262 L294 K296 Q300 A301 M302L261-R298 HydrophobicContact CB-CG 4.2Å; L261-R298 HydrophobicContact CD1-CB 4.48Å; L261-R298 HydrophobicContact CD1-CG 3.68Å; D262-R298 IonicContact OD1-CZ 3.29Å; D262-R298 IonicContact OD1-NE 3.45Å; D262-R298 IonicContact OD1-NH2 2.66Å; D262-R298 PolarHBondContact OD1-NH2 2.71Å; L294-R298 PolarHBondContact O-N 3.3Å; K296-R298 PolarHBondContact O-N 2.72Å; R298-Q300 VanDerWaalsContact C-N 3.3Å; R298-Q300 PolarHBondContact O-N 3.27Å; R298-A301 PolarHBondContact O-N 3.06Å; R298-M302 WeakPolarHBondContact O-CG 3.4Å; R298-M302 PolarHBondContact O-N 3.33Å; R298-M302 VanDerWaalsContact O-N 3.1Å
299S91.9Very high89.5Confident68 Ų6894.6 Ų94.648%0.47646%0.458SS..Hα-helixtrans-66.1-35.1178.7-58.60000112.1R295 K296 R297 K303R295-S299 WeakPolarHBondContact O-CB 3.43Å; R295-S299 PolarHBondContact O-N 2.96Å; R295-S299 PolarHBondContact O-OG 3.16Å; K296-S299 PolarHBondContact O-N 2.99Å; R297-S299 VanDerWaalsContact C-N 3.33Å; R297-S299 PolarHBondContact O-N 3.18Å; S299-K303 WeakPolarHBondContact O-CG 3.42Å; S299-K303 PolarHBondContact O-N 3.4Å
300Q90.6Very high89.1Confident95 Ų9593.8 Ų93.844%0.44445%0.451SS..Hα-helixtrans-69.7-47.9175-172.359.538.100111.4K296 R297 R298 M302 K303 D304K296-Q300 PolarHBondContact O-N 3.46Å; R297-Q300 PolarHBondContact O-N 3.17Å; R298-Q300 VanDerWaalsContact C-N 3.3Å; R298-Q300 PolarHBondContact O-N 3.27Å; Q300-M302 VanDerWaalsContact C-N 3.28Å; Q300-M302 PolarHBondContact O-N 2.96Å; Q300-K303 WeakPolarHBondContact O-CB 3.4Å; Q300-K303 PolarHBondContact O-N 2.96Å; Q300-D304 PolarHBondContact NE2-OD1 3.47Å; Q300-D304 PolarHBondContact O-N 3.47Å
301A87.5Confident88.7Confident38 Ų3898.8 Ų98.831%0.31447%0.471SS..Hα-helixtrans-56.4-41.1177.900000112.4R297 R298 K303 D304 E305R297-A301 PolarHBondContact O-N 3.28Å; R298-A301 PolarHBondContact O-N 3.06Å; A301-K303 VanDerWaalsContact C-N 3.3Å; A301-K303 PolarHBondContact O-N 3.39Å; A301-D304 PolarHBondContact O-N 3.27Å; A301-E305 WeakPolarHBondContact O-CG 3.27Å; A301-E305 PolarHBondContact O-N 3.27Å
302M86.4Confident88.2Confident119 Ų119103.6 Ų103.659%0.58649%0.493SS*.Hα-helixtrans-68.4-25.7176.5-67.9-136.8-5600114.1R298 Q300 Q306R298-M302 WeakPolarHBondContact O-CG 3.4Å; R298-M302 PolarHBondContact O-N 3.33Å; R298-M302 VanDerWaalsContact O-N 3.1Å; Q300-M302 VanDerWaalsContact C-N 3.28Å; Q300-M302 PolarHBondContact O-N 2.96Å; M302-Q306 VanDerWaalsContact O-CG 3.27Å; M302-Q306 WeakPolarHBondContact O-CG 3.44Å; M302-Q306 PolarHBondContact O-NE2 2.98Å
303K88Confident87.6Confident121 Ų121104.4 Ų104.453%0.52650%0.498SS..Hα-helixtrans-75.4-43.6173-71.6173.4-177.3178.50110.5S299 Q300 A301 E305 Q306 D307S299-K303 WeakPolarHBondContact O-CG 3.42Å; S299-K303 PolarHBondContact O-N 3.4Å; Q300-K303 WeakPolarHBondContact O-CB 3.4Å; Q300-K303 PolarHBondContact O-N 2.96Å; A301-K303 VanDerWaalsContact C-N 3.3Å; A301-K303 PolarHBondContact O-N 3.39Å; K303-E305 PolarHBondContact O-N 3.1Å; K303-Q306 PolarHBondContact O-N 3.05Å; K303-D307 PolarHBondContact O-N 2.8Å
304D83.8Confident87Confident96 Ų96107 Ų10751%0.51351%0.511SS..Hα-helixtrans-64.6-26179.1-59.5-18.4000112.2Q300 A301 Q306Q300-D304 PolarHBondContact NE2-OD1 3.47Å; Q300-D304 PolarHBondContact O-N 3.47Å; A301-D304 PolarHBondContact O-N 3.27Å; D304-Q306 VanDerWaalsContact C-N 3.35Å
305E80Confident86.3Confident163 Ų163114.9 Ų114.976%0.76255%0.548SS*.THydrogen-bonded Turntrans-78.2-14.6172-75178.9-179.500114.1A301 K303A301-E305 WeakPolarHBondContact O-CG 3.27Å; A301-E305 PolarHBondContact O-N 3.27Å; K303-E305 PolarHBondContact O-N 3.1Å
306Q71.8Confident85.5Confident155 Ų155111.7 Ų111.772%0.72455%0.546SS*.THydrogen-bonded Turntrans-100.5-16-177.6-72.9174.818.600113.9M302 K303 D304M302-Q306 VanDerWaalsContact O-CG 3.27Å; M302-Q306 WeakPolarHBondContact O-CG 3.44Å; M302-Q306 PolarHBondContact O-NE2 2.98Å; K303-Q306 PolarHBondContact O-N 3.05Å; D304-Q306 VanDerWaalsContact C-N 3.35Å
307D61.8Low84.5Confident196 Ų196111.6 Ų111.6100%1.04855%0.551SS**  trans-94.50177.4-73.2-23.9000112.5K303K303-D307 PolarHBondContact O-N 2.8Å

Retrieved 307 of 307 residues in 2265.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).