A0A087XF50_POEFO Loading...

Protein prenyltransferase alpha subunit repeat containing 1

AlphaFold DB , UniProt , Accession A0A087XF50, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 456 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
1M54.2Low78.9Confident177 Ų17799.2 Ų99.287%0.87251%0.508SS*.  0143.40-75-169.6167.300106.4E3 E39M1-E3 PolarHBondContact O-N 3.03Å; M1-E39 HydrophobicContact CE-CG 4.12Å
2A53.8Low80.2Confident43 Ų4391.2 Ų91.236%0.35547%0.467SS..  trans-62.9125.9179.700000110E7 V8A2-E7 VanDerWaalsContact CA-OE2 3.29Å; A2-E7 WeakPolarHBondContact CA-OE2 3.2Å; A2-E7 HydrophobicContact CB-CB 3.73Å; A2-V8 HydrophobicContact CB-CG2 3.58Å
3E63.3Low81.3Confident185 Ų18591.8 Ų91.886%0.86447%0.467SS*.  trans-93.3-14.2-174-63-172.9174.100111.9M1 E7M1-E3 PolarHBondContact O-N 3.03Å; E3-E7 PolarHBondContact N-OE2 2.98Å
4S80.7Confident82.3Confident45 Ų4594.5 Ų94.532%0.31547%0.468SS..SBendtrans-132.6160.517881.70000113.4E6 E7 V8S4-E6 PolarHBondContact O-N 3.12Å; S4-E7 PolarHBondContact O-N 3.21Å; S4-E7 WeakPolarHBondContact OG-CG 3.35Å; S4-E7 PolarHBondContact OG-N 3.03Å; S4-V8 PolarHBondContact O-N 2.79Å
5K82.1Confident83.3Confident170 Ų17088.4 Ų88.474%0.73944%0.438SS*.Hα-helixtrans-59.5-36.4175.1-176.5-180176.3-175.20112.1V8 D9K5-V8 PolarHBondContact O-N 3.25Å; K5-D9 PolarHBondContact O-N 3Å
6E87.1Confident84.1Confident150 Ų15083.6 Ų83.670%0.70142%0.415SS*.Hα-helixtrans-67-39.9179.5-69.5149.4-169.400111.4S4 V8 D9 V10S4-E6 PolarHBondContact O-N 3.12Å; E6-V8 VanDerWaalsContact C-N 3.34Å; E6-V8 PolarHBondContact O-N 3.42Å; E6-D9 PolarHBondContact O-N 3.4Å; E6-V10 WeakPolarHBondContact O-CG2 3.37Å; E6-V10 PolarHBondContact O-N 3.38Å
7E86.4Confident84.9Confident93 Ų9386.5 Ų86.544%0.43543%0.425SS..Hα-helixtrans-64.7-38.8175.1-73.4177.4-174.100112.3A2 E3 S4 V10 L11A2-E7 VanDerWaalsContact CA-OE2 3.29Å; A2-E7 WeakPolarHBondContact CA-OE2 3.2Å; A2-E7 HydrophobicContact CB-CB 3.73Å; E3-E7 PolarHBondContact N-OE2 2.98Å; S4-E7 PolarHBondContact O-N 3.21Å; S4-E7 WeakPolarHBondContact OG-CG 3.35Å; S4-E7 PolarHBondContact OG-N 3.03Å; E7-V10 PolarHBondContact O-N 3.04Å; E7-L11 VanDerWaalsContact O-CB 3.29Å; E7-L11 WeakPolarHBondContact O-CB 3.49Å; E7-L11 PolarHBondContact O-N 3.46Å
8V86.7Confident85.6Confident28 Ų2883.6 Ų83.617%0.1741%0.411CS..Hα-helixtrans-63-43.5173.6176.30000110.7A2 S4 K5 E6 V10 L11 V12 F63A2-V8 HydrophobicContact CB-CG2 3.58Å; S4-V8 PolarHBondContact O-N 2.79Å; K5-V8 PolarHBondContact O-N 3.25Å; E6-V8 VanDerWaalsContact C-N 3.34Å; E6-V8 PolarHBondContact O-N 3.42Å; V8-V10 PolarHBondContact O-N 3.01Å; V8-L11 PolarHBondContact O-N 2.93Å; V8-V12 HydrophobicContact CG1-CG2 4.27Å; V8-V12 WeakPolarHBondContact O-CB 3.47Å; V8-V12 WeakPolarHBondContact O-CG2 3.49Å; V8-V12 PolarHBondContact O-N 2.97Å; V8-F63 HydrophobicContact CG1-CB 3.95Å; V8-F63 HydrophobicContact CG1-CD1 3.86Å; V8-F63 HydrophobicContact CG1-CG 4.18Å; V8-F63 HydrophobicContact CG2-CD1 4.39Å
9D90.1Very high86.2Confident52 Ų5279.4 Ų79.428%0.27839%0.391SS..Hα-helixtrans-63.2-42.9179.4-75.5-11.9000111.7K5 E6 V12 Q13 Y67K5-D9 PolarHBondContact O-N 3Å; E6-D9 PolarHBondContact O-N 3.4Å; D9-V12 PolarHBondContact O-N 3.44Å; D9-Q13 WeakPolarHBondContact O-CB 3.41Å; D9-Q13 WeakPolarHBondContact O-CG 3.49Å; D9-Q13 PolarHBondContact O-N 2.73Å; D9-Y67 HydrophobicContact CB-CE2 4.04Å; D9-Y67 VanDerWaalsContact OD1-CD2 3.28Å; D9-Y67 WeakPolarHBondContact OD1-CD2 3.37Å; D9-Y67 VanDerWaalsContact OD1-CE2 3.32Å; D9-Y67 WeakPolarHBondContact OD1-CE2 3.42Å
10V92.3Very high86.6Confident97 Ų9776 Ų7659%0.58838%0.375SS*.Hα-helixtrans-64.3-44.1175.8172.90000111E6 E7 V8 Q13 R14E6-V10 WeakPolarHBondContact O-CG2 3.37Å; E6-V10 PolarHBondContact O-N 3.38Å; E7-V10 PolarHBondContact O-N 3.04Å; V8-V10 PolarHBondContact O-N 3.01Å; V10-Q13 PolarHBondContact O-N 3.12Å; V10-R14 PolarHBondContact O-N 3.29Å
11L91.5Very high87.1Confident51 Ų5175 Ų7527%0.26737%0.371SS..Hα-helixtrans-59.1-49.3177.1175.964.3000111.1E7 V8 Q13 R14 V15 W59E7-L11 VanDerWaalsContact O-CB 3.29Å; E7-L11 WeakPolarHBondContact O-CB 3.49Å; E7-L11 PolarHBondContact O-N 3.46Å; V8-L11 PolarHBondContact O-N 2.93Å; L11-Q13 PolarHBondContact O-N 3.49Å; L11-R14 WeakPolarHBondContact O-CB 2.82Å; L11-R14 PolarHBondContact O-N 3.08Å; L11-V15 WeakPolarHBondContact O-CG2 3.31Å; L11-V15 PolarHBondContact O-N 2.94Å; L11-W59 HydrophobicContact CD1-CH2 4.32Å; L11-W59 HydrophobicContact CD2-CH2 4.08Å; L11-W59 HydrophobicContact CD2-CZ3 3.87Å
12V93.9Very high89.1Confident3 Ų367.1 Ų67.12%0.01833%0.333CS..Hα-helixtrans-65.7-40.7-178.5172.50000111.6V8 D9 R14 V15 V16 F63 L64 Y67V8-V12 HydrophobicContact CG1-CG2 4.27Å; V8-V12 WeakPolarHBondContact O-CB 3.47Å; V8-V12 WeakPolarHBondContact O-CG2 3.49Å; V8-V12 PolarHBondContact O-N 2.97Å; D9-V12 PolarHBondContact O-N 3.44Å; V12-R14 VanDerWaalsContact C-N 3.26Å; V12-R14 PolarHBondContact O-N 3.31Å; V12-V15 PolarHBondContact O-N 3.35Å; V12-V15 VanDerWaalsContact O-N 3.1Å; V12-V16 HydrophobicContact CG1-CG2 4.43Å; V12-V16 WeakPolarHBondContact O-CG2 3.24Å; V12-V16 PolarHBondContact O-N 3.38Å; V12-F63 HydrophobicContact CG2-CB 3.91Å; V12-L64 HydrophobicContact CG1-CD1 3.56Å; V12-Y67 HydrophobicContact CB-CD1 4.1Å; V12-Y67 HydrophobicContact CB-CD2 4.4Å; V12-Y67 HydrophobicContact CB-CG 4.01Å; V12-Y67 HydrophobicContact CG1-CD1 3.21Å; V12-Y67 HydrophobicContact CG1-CD2 4.3Å; V12-Y67 HydrophobicContact CG1-CE1 3.88Å; V12-Y67 HydrophobicContact CG1-CG 3.48Å; V12-Y67 VanDerWaalsContact CG1-CG 3.48Å; V12-Y67 HydrophobicContact CG2-CG 4.49Å
13Q94.6Very high91Very high100 Ų10066.9 Ų66.947%0.46732%0.324SS..Hα-helixtrans-58-40.7174.3-74.7175.832.400111.9D9 V10 L11 V16 K17 Y67D9-Q13 WeakPolarHBondContact O-CB 3.41Å; D9-Q13 WeakPolarHBondContact O-CG 3.49Å; D9-Q13 PolarHBondContact O-N 2.73Å; V10-Q13 PolarHBondContact O-N 3.12Å; L11-Q13 PolarHBondContact O-N 3.49Å; Q13-V16 PolarHBondContact O-N 3.18Å; Q13-K17 PolarHBondContact O-N 3.13Å; Q13-K17 VanDerWaalsContact O-N 3.12Å; Q13-Y67 HydrophobicContact CG-CE1 4.43Å; Q13-Y67 WeakPolarHBondContact CG-OH 3.24Å; Q13-Y67 PolarHBondContact NE2-OH 2.71Å
14R95.5Very high92.5Very high129 Ų12965.7 Ų65.749%0.48732%0.316SS..Hα-helixtrans-62-44.6173.8-178.2179.7177.3-179.10111.5V10 L11 V12 V16 K17 D18V10-R14 PolarHBondContact O-N 3.29Å; L11-R14 WeakPolarHBondContact O-CB 2.82Å; L11-R14 PolarHBondContact O-N 3.08Å; V12-R14 VanDerWaalsContact C-N 3.26Å; V12-R14 PolarHBondContact O-N 3.31Å; R14-V16 PolarHBondContact O-N 3.42Å; R14-K17 WeakPolarHBondContact O-CB 3.4Å; R14-K17 PolarHBondContact O-N 3.37Å; R14-D18 VanDerWaalsContact O-CG 3.24Å; R14-D18 PolarHBondContact O-N 3.45Å
15V96.8Very high93.1Very high3 Ų372.4 Ų72.42%0.01834%0.335CS..Hα-helixtrans-63.3-42.3179.5178.20000112.1L11 V12 K17 D18 I19 P46 I47 L64L11-V15 WeakPolarHBondContact O-CG2 3.31Å; L11-V15 PolarHBondContact O-N 2.94Å; V12-V15 PolarHBondContact O-N 3.35Å; V12-V15 VanDerWaalsContact O-N 3.1Å; V15-K17 VanDerWaalsContact C-N 3.3Å; V15-K17 PolarHBondContact O-N 3.41Å; V15-D18 PolarHBondContact O-N 3.28Å; V15-I19 HydrophobicContact CG1-CD1 4.49Å; V15-I19 WeakPolarHBondContact O-CG1 3.33Å; V15-I19 PolarHBondContact O-N 2.78Å; V15-P46 HydrophobicContact CB-CG 4.45Å; V15-P46 HydrophobicContact CG1-CG 4Å; V15-P46 HydrophobicContact CG2-CG 3.51Å; V15-I47 HydrophobicContact CG1-CD1 3.81Å; V15-I47 HydrophobicContact CG1-CG1 4.07Å; V15-L64 HydrophobicContact CB-CD1 4.3Å; V15-L64 HydrophobicContact CG1-CD1 4.05Å; V15-L64 HydrophobicContact CG1-CD2 3.76Å
16V97.4Very high93.6Very high11 Ų1168.2 Ų68.27%0.06732%0.318CS..Hα-helixtrans-57.5-45.8173.7172.40000110.5V12 Q13 R14 D18 I19 S20 L64 V68 D89 I90 T93V12-V16 HydrophobicContact CG1-CG2 4.43Å; V12-V16 WeakPolarHBondContact O-CG2 3.24Å; V12-V16 PolarHBondContact O-N 3.38Å; Q13-V16 PolarHBondContact O-N 3.18Å; R14-V16 PolarHBondContact O-N 3.42Å; V16-D18 PolarHBondContact O-N 3.45Å; V16-I19 PolarHBondContact O-N 2.99Å; V16-S20 PolarHBondContact O-N 2.89Å; V16-S20 VanDerWaalsContact O-N 3.14Å; V16-S20 PolarHBondContact O-OG 2.97Å; V16-L64 HydrophobicContact CG2-CD1 3.93Å; V16-V68 HydrophobicContact CG2-CG1 3.76Å; V16-D89 HydrophobicContact CG1-CB 3.91Å; V16-I90 HydrophobicContact CG1-CD1 4.44Å; V16-I90 HydrophobicContact CG2-CD1 4.36Å; V16-T93 HydrophobicContact CG2-CG2 4.22Å
17K96.8Very high93.9Very high134 Ų13465.2 Ų65.258%0.58331%0.311SS*.Hα-helixtrans-64.3-39.9178-170.4178.4-178.2175.80112.4Q13 R14 V15 I19 S20 I21Q13-K17 PolarHBondContact O-N 3.13Å; Q13-K17 VanDerWaalsContact O-N 3.12Å; R14-K17 WeakPolarHBondContact O-CB 3.4Å; R14-K17 PolarHBondContact O-N 3.37Å; V15-K17 VanDerWaalsContact C-N 3.3Å; V15-K17 PolarHBondContact O-N 3.41Å; K17-I19 VanDerWaalsContact C-N 3.32Å; K17-I19 PolarHBondContact O-N 3.49Å; K17-S20 PolarHBondContact O-N 2.83Å; K17-I21 HydrophobicContact CD-CD1 4.48Å; K17-I21 HydrophobicContact CG-CD1 3.89Å; K17-I21 HydrophobicContact CG-CG1 4.4Å; K17-I21 WeakPolarHBondContact O-CB 3.49Å; K17-I21 VanDerWaalsContact O-CG1 3.25Å; K17-I21 WeakPolarHBondContact O-CG1 2.94Å; K17-I21 PolarHBondContact O-N 3.35Å
18D97.1Very high94.3Very high34 Ų3466.4 Ų66.418%0.18232%0.32CS..Hα-helixtrans-62.5-39.4178.2-70.9-15.5000111.3R14 V15 V16 I21 A22 S45 I47R14-D18 VanDerWaalsContact O-CG 3.24Å; R14-D18 PolarHBondContact O-N 3.45Å; V15-D18 PolarHBondContact O-N 3.28Å; V16-D18 PolarHBondContact O-N 3.45Å; D18-I21 PolarHBondContact O-N 3.32Å; D18-A22 WeakPolarHBondContact O-CB 3.2Å; D18-A22 PolarHBondContact O-N 3.34Å; D18-S45 VanDerWaalsContact OD2-CB 3.27Å; D18-S45 WeakPolarHBondContact OD2-CB 3.37Å; D18-S45 PolarHBondContact OD2-OG 3.41Å; D18-I47 HydrophobicContact CB-CB 4.24Å; D18-I47 HydrophobicContact CB-CG1 3.86Å
19I96.9Very high94.8Very high4 Ų465.1 Ų65.12%0.02131%0.313CS..Hα-helixtrans-61-49.9172.5-66.6169.5000110.7V15 V16 K17 I21 A22 F23 I47 L64 T93 L96V15-I19 HydrophobicContact CG1-CD1 4.49Å; V15-I19 WeakPolarHBondContact O-CG1 3.33Å; V15-I19 PolarHBondContact O-N 2.78Å; V16-I19 PolarHBondContact O-N 2.99Å; K17-I19 VanDerWaalsContact C-N 3.32Å; K17-I19 PolarHBondContact O-N 3.49Å; I19-I21 VanDerWaalsContact C-N 3.29Å; I19-I21 PolarHBondContact O-N 3.09Å; I19-A22 WeakPolarHBondContact O-CB 3.46Å; I19-A22 PolarHBondContact O-N 3Å; I19-A22 VanDerWaalsContact O-N 3.11Å; I19-F23 HydrophobicContact CG2-CD2 3.98Å; I19-F23 HydrophobicContact CG2-CE2 3.61Å; I19-F23 WeakPolarHBondContact O-CD2 3.24Å; I19-F23 PolarHBondContact O-N 3.43Å; I19-I47 HydrophobicContact CD1-CD1 3.91Å; I19-I47 HydrophobicContact CG1-CD1 3.45Å; I19-I47 VanDerWaalsContact CG1-CD1 3.45Å; I19-I47 HydrophobicContact CG1-CG1 3.84Å; I19-L64 HydrophobicContact CD1-CD2 4.46Å; I19-T93 HydrophobicContact CD1-CG2 3.64Å; I19-L96 HydrophobicContact CG2-CD1 3.96Å
20S95.6Very high95.1Very high10 Ų1065.6 Ų65.67%0.0732%0.315CS..Hα-helixtrans-63.5-35.3179.6-60.80000112.5V16 K17 K24 D89V16-S20 PolarHBondContact O-N 2.89Å; V16-S20 VanDerWaalsContact O-N 3.14Å; V16-S20 PolarHBondContact O-OG 2.97Å; K17-S20 PolarHBondContact O-N 2.83Å; S20-K24 WeakPolarHBondContact O-CG 3.26Å; S20-K24 PolarHBondContact O-N 3.34Å; S20-D89 WeakPolarHBondContact CB-OD1 3.38Å; S20-D89 PolarHBondContact OG-OD1 3.32Å
21I96.1Very high95.4Very high57 Ų5764 Ų6429%0.29230%0.302SS..Hα-helixtrans-66.2-41173.2-71.4167.1000110.8K17 D18 I19 F23 K24 R25K17-I21 HydrophobicContact CD-CD1 4.48Å; K17-I21 HydrophobicContact CG-CD1 3.89Å; K17-I21 HydrophobicContact CG-CG1 4.4Å; K17-I21 WeakPolarHBondContact O-CB 3.49Å; K17-I21 VanDerWaalsContact O-CG1 3.25Å; K17-I21 WeakPolarHBondContact O-CG1 2.94Å; K17-I21 PolarHBondContact O-N 3.35Å; D18-I21 PolarHBondContact O-N 3.32Å; I19-I21 VanDerWaalsContact C-N 3.29Å; I19-I21 PolarHBondContact O-N 3.09Å; I21-F23 PolarHBondContact O-N 3.33Å; I21-K24 PolarHBondContact O-N 2.9Å; I21-R25 HydrophobicContact CG2-CG 4.17Å; I21-R25 WeakPolarHBondContact O-CB 3.43Å; I21-R25 WeakPolarHBondContact O-CG 3.45Å; I21-R25 PolarHBondContact O-N 3.24Å
22A96.2Very high95.6Very high10 Ų1062.1 Ų62.18%0.08329%0.291CS..Hα-helixtrans-58.1-47.4178.500000111.3D18 I19 K24 R25 H26 I29 I47 L54D18-A22 WeakPolarHBondContact O-CB 3.2Å; D18-A22 PolarHBondContact O-N 3.34Å; I19-A22 WeakPolarHBondContact O-CB 3.46Å; I19-A22 PolarHBondContact O-N 3Å; I19-A22 VanDerWaalsContact O-N 3.11Å; A22-K24 PolarHBondContact O-N 3.05Å; A22-R25 PolarHBondContact O-N 2.94Å; A22-H26 PolarHBondContact O-N 3.47Å; A22-I29 HydrophobicContact CB-CD1 4.46Å; A22-I47 HydrophobicContact CB-CG2 4.45Å; A22-L54 HydrophobicContact CB-CD1 3.84Å
23F94.9Very high95.8Very high39 Ų3963.4 Ų63.417%0.17131%0.305CS..Hα-helixtrans-64.6-35.5176.3-73-59.6000113.9I19 I21 I29 L54 L96 Y124 L128I19-F23 HydrophobicContact CG2-CD2 3.98Å; I19-F23 HydrophobicContact CG2-CE2 3.61Å; I19-F23 WeakPolarHBondContact O-CD2 3.24Å; I19-F23 PolarHBondContact O-N 3.43Å; I21-F23 PolarHBondContact O-N 3.33Å; F23-I29 HydrophobicContact CD1-CD1 3.8Å; F23-I29 HydrophobicContact CE1-CB 4.37Å; F23-I29 HydrophobicContact CE1-CD1 3.91Å; F23-I29 HydrophobicContact CE1-CG2 4.35Å; F23-L54 HydrophobicContact CE1-CD2 4.45Å; F23-L54 HydrophobicContact CE2-CD2 4.24Å; F23-L54 HydrophobicContact CZ-CD2 3.88Å; F23-L96 HydrophobicContact CE2-CD1 3.78Å; F23-L96 HydrophobicContact CZ-CD1 3.91Å; F23-Y124 AromaticContact CD1-CE1 3.95Å; F23-Y124 HydrophobicContact CD1-CE1 3.95Å; F23-Y124 HydrophobicContact CE1-CE1 4.03Å; F23-L128 HydrophobicContact CD1-CD1 4.41Å; F23-L128 HydrophobicContact CE1-CD1 3.32Å; F23-L128 HydrophobicContact CZ-CD1 3.7Å
24K92.8Very high95.9Very high159 Ų15961.9 Ų61.969%0.69130%0.3SS*.Hα-helixtrans-69.2-38.2177.3-73.8174.1-177.4178.40112.1S20 I21 A22S20-K24 WeakPolarHBondContact O-CG 3.26Å; S20-K24 PolarHBondContact O-N 3.34Å; I21-K24 PolarHBondContact O-N 2.9Å; A22-K24 PolarHBondContact O-N 3.05Å
25R93.9Very high95.9Very high187 Ų18758.6 Ų58.671%0.70629%0.292SS*.Hα-helixtrans-80.7-32.9-179.3-71.8-177.4174.8-175-1.7112.8I21 A22I21-R25 HydrophobicContact CG2-CG 4.17Å; I21-R25 WeakPolarHBondContact O-CB 3.43Å; I21-R25 WeakPolarHBondContact O-CG 3.45Å; I21-R25 PolarHBondContact O-N 3.24Å; A22-R25 PolarHBondContact O-N 2.94Å
26H93.5Very high95.9Very high81 Ų8165.8 Ų65.838%0.37533%0.325SS..  trans-130.483.4-173.9-61.9-88.8000110.1A22 N28 I29 L49A22-H26 PolarHBondContact O-N 3.47Å; H26-N28 PolarHBondContact O-N 3.02Å; H26-I29 HydrophobicContact CB-CD1 4.28Å; H26-I29 HydrophobicContact CB-CG1 4.16Å; H26-I29 WeakPolarHBondContact O-CD1 3.45Å; H26-I29 WeakPolarHBondContact O-CG1 3.31Å; H26-L49 HydrophobicContact CB-CD2 3.78Å; H26-L49 WeakPolarHBondContact CD2-CD2 3.16Å; H26-L49 WeakPolarHBondContact NE2-CD2 3.45Å
27P92.5Very high95.7Very high87 Ų8765.7 Ų65.757%0.56533%0.325SS*.THydrogen-bonded Turntrans-69.7-12.6-177.528.5-35.8000113.6Y124P27-Y124 PolarHBondContact O-OH 3.1Å
28N94.7Very high95.4Very high118 Ų11863.6 Ų63.663%0.63133%0.325SS*.THydrogen-bonded Turntrans-97.917.8-176-62.8-26.7000113.4H26 D30 N52H26-N28 PolarHBondContact O-N 3.02Å; N28-D30 PolarHBondContact O-N 3.15Å; N28-N52 WeakPolarHBondContact O-CB 3.45Å
29I97.8Very high95.1Very high2 Ų267.8 Ų67.81%0.0134%0.343CS..  trans-55.1127.4172.5-68.4160.7000107.8A22 F23 H26 L49 N52 L54 Y124 L128A22-I29 HydrophobicContact CB-CD1 4.46Å; F23-I29 HydrophobicContact CD1-CD1 3.8Å; F23-I29 HydrophobicContact CE1-CB 4.37Å; F23-I29 HydrophobicContact CE1-CD1 3.91Å; F23-I29 HydrophobicContact CE1-CG2 4.35Å; H26-I29 HydrophobicContact CB-CD1 4.28Å; H26-I29 HydrophobicContact CB-CG1 4.16Å; H26-I29 WeakPolarHBondContact O-CD1 3.45Å; H26-I29 WeakPolarHBondContact O-CG1 3.31Å; I29-L49 HydrophobicContact CD1-CD1 4.04Å; I29-L49 HydrophobicContact CG1-CD1 3.82Å; I29-N52 CarbonylContact C-O 3.53Å; I29-N52 VanDerWaalsContact CA-O 3.24Å; I29-N52 WeakPolarHBondContact CA-O 3.41Å; I29-L54 HydrophobicContact CD1-CB 4.37Å; I29-L54 HydrophobicContact CD1-CD1 4.49Å; I29-L54 HydrophobicContact CG2-CB 3.85Å; I29-Y124 WeakPolarHBondContact CA-OH 3.47Å; I29-Y124 WeakPolarHBondContact CB-OH 3.35Å; I29-Y124 PolarHBondContact N-OH 3.39Å; I29-Y124 WeakPolarHBondContact O-CE2 3.48Å; I29-Y124 PolarHBondContact O-OH 2.89Å; I29-L128 HydrophobicContact CG2-CD1 4.42Å; I29-L128 HydrophobicContact CG2-CD2 3.99Å
30D96.6Very high94.8Very high61 Ų6170.1 Ų70.133%0.32636%0.363SS..  trans-112.6-14.4-173.669.7-8.5000112.8N28 N52 K53 T131N28-D30 PolarHBondContact O-N 3.15Å; D30-N52 HydrophobicContact CB-CB 4.44Å; D30-N52 PolarHBondContact N-O 3.36Å; D30-N52 VanDerWaalsContact OD1-O 3.04Å; D30-K53 VanDerWaalsContact OD1-CD 3.28Å; D30-K53 WeakPolarHBondContact OD1-CD 3.29Å; D30-K53 VanDerWaalsContact OD1-CE 3.25Å; D30-K53 WeakPolarHBondContact OD1-CE 3.47Å; D30-K53 IonicContact OD1-NZ 3.81Å; D30-K53 PolarHBondContact OD1-NZ 2.98Å; D30-K53 IonicContact OD2-NZ 2.88Å; D30-K53 PolarHBondContact OD2-NZ 3.28Å; D30-T131 WeakPolarHBondContact O-CG2 3.41Å
31E97.3Very high94Very high65 Ų6578.5 Ų78.530%0.30439%0.393SS..EExtended strand (participates in β ladder)trans-158146-176.3175171.8175.700112.2K53 L54 T131 R199E31-K53 HydrophobicContact CB-CD 3.74Å; E31-K53 HydrophobicContact CG-CD 4.28Å; E31-K53 IonicContact OE2-NZ 3.34Å; E31-K53 PolarHBondContact OE2-NZ 3.01Å; E31-L54 PolarHBondContact O-N 3.48Å; E31-T131 HydrophobicContact CB-CG2 4.33Å; E31-R199 IonicContact OE2-NH2 2.75Å
32I97.8Very high93.3Very high10 Ų1084 Ų845%0.05141%0.412CS..EExtended strand (participates in β ladder)trans-112.5147.517371-178.3000111.4L54 L96 L128 T131 K132I32-L54 CarbonylContact C-O 3.59Å; I32-L54 VanDerWaalsContact CA-O 3.26Å; I32-L54 WeakPolarHBondContact CA-O 3.39Å; I32-L54 HydrophobicContact CG2-CB 4.28Å; I32-L54 HydrophobicContact CG2-CD2 4.38Å; I32-L96 HydrophobicContact CD1-CB 4.13Å; I32-L96 HydrophobicContact CD1-CD2 3.63Å; I32-L96 HydrophobicContact CD1-CG 4.47Å; I32-L96 HydrophobicContact CG2-CD2 4.13Å; I32-L128 HydrophobicContact CG2-CB 4.19Å; I32-L128 HydrophobicContact CG2-CD2 4.37Å; I32-T131 PolarHBondContact N-OG1 3.07Å; I32-T131 VanDerWaalsContact N-OG1 3.14Å; I32-K132 HydrophobicContact CD1-CB 4.24Å; I32-K132 HydrophobicContact CD1-CD 4.5Å; I32-K132 HydrophobicContact CG1-CB 3.87Å; I32-K132 HydrophobicContact CG1-CD 4.33Å
33G96.7Very high92.8Very high30 Ų3090.9 Ų90.931%0.30945%0.447SS..EExtended strand (participates in β ladder)trans-143.3160.1-179.500000113.3L54 G55 V56G33-L54 PolarHBondContact N-O 2.91Å; G33-G55 WeakPolarHBondContact O-CA 3.41Å; G33-V56 PolarHBondContact O-N 2.95Å
34L96.7Very high92.5Very high68 Ų6898.3 Ų98.336%0.35647%0.474SS..EExtended strand (participates in β ladder)trans-100.2123.2168.5-168.183000108.8V56 V61L34-V56 CarbonylContact C-O 3.57Å; L34-V56 WeakPolarHBondContact CA-O 3.37Å; L34-V61 HydrophobicContact CD1-CG2 3.67Å
35I96.5Very high92.6Very high61 Ų6192.3 Ų92.331%0.31345%0.452SS..EExtended strand (participates in β ladder)trans-89.8123.6175.3-59.7171.4000108C37 V48 V56 E57 S58I35-C37 PolarHBondContact O-N 3.04Å; I35-V48 HydrophobicContact CD1-CB 3.63Å; I35-V48 HydrophobicContact CD1-CG1 4.13Å; I35-V48 HydrophobicContact CD1-CG2 3.83Å; I35-V56 PolarHBondContact N-O 3.24Å; I35-E57 HydrophobicContact CB-CG 4.28Å; I35-E57 HydrophobicContact CG2-CG 4.42Å; I35-S58 WeakPolarHBondContact O-CB 3.39Å; I35-S58 PolarHBondContact O-N 2.97Å; I35-S58 PolarHBondContact O-OG 3.48Å
36Q96.1Very high92.7Very high153 Ų15383.5 Ų83.572%0.71542%0.419SS*.  trans-69101.4177.6-65.3-62.2-15.400110.2
37C94.3Very high92.9Very high10 Ų1080.7 Ų80.77%0.06841%0.406CS..  trans-147.793.8-178.8-1720000107.8I35 E39 E57 S58 W59I35-C37 PolarHBondContact O-N 3.04Å; C37-E39 VanDerWaalsContact C-N 3.29Å; C37-E39 PolarHBondContact O-N 3.04Å; C37-E39 PolarHBondContact SG-O 3.48Å; C37-E57 HydrophobicContact CB-CB 4Å; C37-E57 HydrophobicContact CB-CG 4.15Å; C37-S58 PolarHBondContact N-OG 3.41Å; C37-S58 PolarHBondContact O-OG 3.08Å; C37-S58 VanDerWaalsContact O-OG 3.09Å; C37-W59 WeakPolarHBondContact O-CA 3.32Å; C37-W59 WeakPolarHBondContact O-CB 2.84Å; C37-W59 PolarHBondContact O-N 3.4Å
38P90.4Very high93Very high90 Ų9078.7 Ų78.758%0.58439%0.393SS*.SBendtrans-66.5-26.1-172.7-24.134.5000114.8W59P38-W59 WeakPolarHBondContact O-CB 3.18Å
39E90.2Very high93.1Very high122 Ų12275.6 Ų75.657%0.5738%0.375SS*.SBendtrans-137.1147.8-175.7-65.3-178.4177.700111.5M1 C37 R41M1-E39 HydrophobicContact CE-CG 4.12Å; C37-E39 VanDerWaalsContact C-N 3.29Å; C37-E39 PolarHBondContact O-N 3.04Å; C37-E39 PolarHBondContact SG-O 3.48Å; E39-R41 PolarHBondContact O-N 3.02Å
40A89.4Confident93Very high53 Ų5379.8 Ų79.844%0.43840%0.401SS..  trans-69.5112.8172.900000110.3W59A40-W59 HydrophobicContact CB-CD2 3.89Å; A40-W59 HydrophobicContact CB-CE3 4.12Å; A40-W59 HydrophobicContact CB-CG 4.47Å; A40-W59 HydrophobicContact CB-CH2 4.15Å; A40-W59 HydrophobicContact CB-CZ2 3.9Å; A40-W59 HydrophobicContact CB-CZ3 4.25Å
41R79.4Confident92.9Very high185 Ų18584.5 Ų84.570%0.69842%0.421SS*.  trans-89.6-27.2-175.7-62.6-174.3178.4-170.4-1114.3E39E39-R41 PolarHBondContact O-N 3.02Å
42Y81.6Confident92.9Very high174 Ų17484.7 Ų84.768%0.68242%0.424SS*.SBendtrans-143.8164.6-175.5-55.2-74.3000110.9R44Y42-R44 PolarHBondContact O-N 2.81Å
43N85.8Confident92.9Very high153 Ų15387.9 Ų87.982%0.81844%0.438SS*.SBendtrans-74.260.5170.6-170.714.8000111.2
44R89.3Confident93Very high196 Ų19686.6 Ų86.674%0.7442%0.424SS*.SBendtrans-122.2153.6178.2-69.4-173.8178.5-170.10.2109.6Y42Y42-R44 PolarHBondContact O-N 2.81Å
45S94.2Very high93Very high32 Ų3283.7 Ų83.722%0.22441%0.411CS..  trans-63.6140.1172.6-174.60000109.6D18 I47D18-S45 VanDerWaalsContact OD2-CB 3.27Å; D18-S45 WeakPolarHBondContact OD2-CB 3.37Å; D18-S45 PolarHBondContact OD2-OG 3.41Å; S45-I47 PolarHBondContact O-N 2.98Å; S45-I47 PolarHBondContact OG-N 3.2Å
46P95.8Very high93.1Very high3 Ų381.5 Ų81.52%0.01940%0.4CS..SBendtrans-70.7-4.3170.730.7-35.2000112.7V15 V56 E57 W59 C60V15-P46 HydrophobicContact CB-CG 4.45Å; V15-P46 HydrophobicContact CG1-CG 4Å; V15-P46 HydrophobicContact CG2-CG 3.51Å; P46-V56 WeakPolarHBondContact O-CA 3.45Å; P46-E57 HydrophobicContact CB-CB 3.86Å; P46-E57 HydrophobicContact CB-CG 4.42Å; P46-E57 PolarHBondContact O-N 3.24Å; P46-W59 HydrophobicContact CB-CZ2 3.66Å; P46-W59 HydrophobicContact CG-CH2 4.35Å; P46-W59 HydrophobicContact CG-CZ2 3.91Å; P46-C60 HydrophobicContact CB-CB 3.77Å; P46-C60 VanDerWaalsContact CB-SG 3.6Å; P46-C60 HydrophobicContact CG-CB 3.73Å
47I97.1Very high93.1Very high21 Ų2176.1 Ų76.111%0.10838%0.375CS..EExtended strand (participates in β ladder)trans-89.8110.3175.2-52.4-52.8000108.4V15 D18 I19 A22 S45 L54 V56V15-I47 HydrophobicContact CG1-CD1 3.81Å; V15-I47 HydrophobicContact CG1-CG1 4.07Å; D18-I47 HydrophobicContact CB-CB 4.24Å; D18-I47 HydrophobicContact CB-CG1 3.86Å; I19-I47 HydrophobicContact CD1-CD1 3.91Å; I19-I47 HydrophobicContact CG1-CD1 3.45Å; I19-I47 VanDerWaalsContact CG1-CD1 3.45Å; I19-I47 HydrophobicContact CG1-CG1 3.84Å; A22-I47 HydrophobicContact CB-CG2 4.45Å; S45-I47 PolarHBondContact O-N 2.98Å; S45-I47 PolarHBondContact OG-N 3.2Å; I47-L54 HydrophobicContact CG2-CD1 3.54Å; I47-V56 HydrophobicContact CD1-CG1 4.21Å; I47-V56 HydrophobicContact CD1-CG2 4Å
48V96.1Very high93.2Very high46 Ų4676.8 Ų76.828%0.27938%0.38SS..EExtended strand (participates in β ladder)trans-113.9119.8-176.6-176.80000108.3I35 V50 G55 E57I35-V48 HydrophobicContact CD1-CB 3.63Å; I35-V48 HydrophobicContact CD1-CG1 4.13Å; I35-V48 HydrophobicContact CD1-CG2 3.83Å; V48-V50 HydrophobicContact CG1-CG2 4.08Å; V48-G55 PolarHBondContact N-O 3.46Å; V48-G55 WeakPolarHBondContact O-CA 3.49Å; V48-G55 PolarHBondContact O-N 3.32Å; V48-E57 HydrophobicContact CG2-CG 4.22Å
49L96.4Very high93.4Very high52 Ų5273.7 Ų73.727%0.27236%0.356SS..EExtended strand (participates in β ladder)trans-108.6120.8175.4-177.173.5000109.3H26 I29 K53 L54H26-L49 HydrophobicContact CB-CD2 3.78Å; H26-L49 WeakPolarHBondContact CD2-CD2 3.16Å; H26-L49 WeakPolarHBondContact NE2-CD2 3.45Å; I29-L49 HydrophobicContact CD1-CD1 4.04Å; I29-L49 HydrophobicContact CG1-CD1 3.82Å; L49-K53 WeakPolarHBondContact CD1-O 3.38Å; L49-L54 HydrophobicContact CD1-CB 4.49Å; L49-L54 HydrophobicContact CD1-CD1 4.33Å
50V95.6Very high93.7Very high90 Ų9068 Ų6855%0.54533%0.33SS..EExtended strand (participates in β ladder)trans-125.4118.9173.7-178.50000107.4V48 N52 K53V48-V50 HydrophobicContact CG1-CG2 4.08Å; V50-N52 PolarHBondContact O-N 3.38Å; V50-N52 VanDerWaalsContact O-N 3.12Å; V50-K53 PolarHBondContact N-O 3.07Å; V50-K53 VanDerWaalsContact N-O 3.09Å; V50-K53 WeakPolarHBondContact O-CB 3.42Å; V50-K53 PolarHBondContact O-N 3.42Å
51E94.9Very high94.1Very high161 Ų16167 Ų6775%0.75232%0.319SS*.THydrogen-bonded Turntrans53.3-115.5-173.1-57.2175.3176.100111.2
52N96.6Very high94.8Very high69 Ų6964.1 Ų64.137%0.36931%0.311SS..THydrogen-bonded Turntrans-10311.1177.5-63.5-33.4000112.9N28 I29 D30 V50N28-N52 WeakPolarHBondContact O-CB 3.45Å; I29-N52 CarbonylContact C-O 3.53Å; I29-N52 VanDerWaalsContact CA-O 3.24Å; I29-N52 WeakPolarHBondContact CA-O 3.41Å; D30-N52 HydrophobicContact CB-CB 4.44Å; D30-N52 PolarHBondContact N-O 3.36Å; D30-N52 VanDerWaalsContact OD1-O 3.04Å; V50-N52 PolarHBondContact O-N 3.38Å; V50-N52 VanDerWaalsContact O-N 3.12Å
53K97.9Very high95.4Very high76 Ų7659.3 Ų59.333%0.3329%0.294SS..EExtended strand (participates in β ladder)trans-105.1120.7-174.3-50.6-61.2176.5-173.80111D30 E31 L49 V50D30-K53 VanDerWaalsContact OD1-CD 3.28Å; D30-K53 WeakPolarHBondContact OD1-CD 3.29Å; D30-K53 VanDerWaalsContact OD1-CE 3.25Å; D30-K53 WeakPolarHBondContact OD1-CE 3.47Å; D30-K53 IonicContact OD1-NZ 3.81Å; D30-K53 PolarHBondContact OD1-NZ 2.98Å; D30-K53 IonicContact OD2-NZ 2.88Å; D30-K53 PolarHBondContact OD2-NZ 3.28Å; E31-K53 HydrophobicContact CB-CD 3.74Å; E31-K53 HydrophobicContact CG-CD 4.28Å; E31-K53 IonicContact OE2-NZ 3.34Å; E31-K53 PolarHBondContact OE2-NZ 3.01Å; L49-K53 WeakPolarHBondContact CD1-O 3.38Å; V50-K53 PolarHBondContact N-O 3.07Å; V50-K53 VanDerWaalsContact N-O 3.09Å; V50-K53 WeakPolarHBondContact O-CB 3.42Å; V50-K53 PolarHBondContact O-N 3.42Å
54L98.1Very high96Very high3 Ų352.1 Ų52.12%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-96.7106176.9-174.970.9000110.6A22 F23 I29 E31 I32 G33 I47 L49A22-L54 HydrophobicContact CB-CD1 3.84Å; F23-L54 HydrophobicContact CE1-CD2 4.45Å; F23-L54 HydrophobicContact CE2-CD2 4.24Å; F23-L54 HydrophobicContact CZ-CD2 3.88Å; I29-L54 HydrophobicContact CD1-CB 4.37Å; I29-L54 HydrophobicContact CD1-CD1 4.49Å; I29-L54 HydrophobicContact CG2-CB 3.85Å; E31-L54 PolarHBondContact O-N 3.48Å; I32-L54 CarbonylContact C-O 3.59Å; I32-L54 VanDerWaalsContact CA-O 3.26Å; I32-L54 WeakPolarHBondContact CA-O 3.39Å; I32-L54 HydrophobicContact CG2-CB 4.28Å; I32-L54 HydrophobicContact CG2-CD2 4.38Å; G33-L54 PolarHBondContact N-O 2.91Å; I47-L54 HydrophobicContact CG2-CD1 3.54Å; L49-L54 HydrophobicContact CD1-CB 4.49Å; L49-L54 HydrophobicContact CD1-CD1 4.33Å
55G97.8Very high96.4Very high8 Ų845.2 Ų45.28%0.08223%0.233CC..EExtended strand (participates in β ladder)trans-93.3140.1174.200000112.7G33 V48G33-G55 WeakPolarHBondContact O-CA 3.41Å; V48-G55 PolarHBondContact N-O 3.46Å; V48-G55 WeakPolarHBondContact O-CA 3.49Å; V48-G55 PolarHBondContact O-N 3.32Å
56V97.7Very high96.5Very high14 Ų1446.6 Ų46.69%0.08524%0.241CC..EExtended strand (participates in β ladder)trans-115.8120169.5-175.70000108.7G33 L34 I35 P46 I47 V61G33-V56 PolarHBondContact O-N 2.95Å; L34-V56 CarbonylContact C-O 3.57Å; L34-V56 WeakPolarHBondContact CA-O 3.37Å; I35-V56 PolarHBondContact N-O 3.24Å; P46-V56 WeakPolarHBondContact O-CA 3.45Å; I47-V56 HydrophobicContact CD1-CG1 4.21Å; I47-V56 HydrophobicContact CD1-CG2 4Å; V56-V61 HydrophobicContact CG1-CG2 4.13Å
57E97.1Very high96.5Very high40 Ų4048.1 Ų48.119%0.18725%0.247CC..EExtended strand (participates in β ladder)trans-64.7133.9176.6-68-173.2158.400111.9I35 C37 P46 V48 W59 C60I35-E57 HydrophobicContact CB-CG 4.28Å; I35-E57 HydrophobicContact CG2-CG 4.42Å; C37-E57 HydrophobicContact CB-CB 4Å; C37-E57 HydrophobicContact CB-CG 4.15Å; P46-E57 HydrophobicContact CB-CB 3.86Å; P46-E57 HydrophobicContact CB-CG 4.42Å; P46-E57 PolarHBondContact O-N 3.24Å; V48-E57 HydrophobicContact CG2-CG 4.22Å; E57-W59 VanDerWaalsContact C-N 3.32Å; E57-W59 PolarHBondContact O-N 3.06Å; E57-W59 PolarHBondContact OE2-NE1 2.88Å; E57-C60 PolarHBondContact O-N 3.44Å; E57-C60 PolarHBondContact O-SG 3Å
58S96.3Very high96.6Very high25 Ų2547.1 Ų47.118%0.17524%0.242CC..Hα-helixtrans-65.9-28.5-168.862.10000114.5I35 C37 C60 V61I35-S58 WeakPolarHBondContact O-CB 3.39Å; I35-S58 PolarHBondContact O-N 2.97Å; I35-S58 PolarHBondContact O-OG 3.48Å; C37-S58 PolarHBondContact N-OG 3.41Å; C37-S58 PolarHBondContact O-OG 3.08Å; C37-S58 VanDerWaalsContact O-OG 3.09Å; S58-C60 PolarHBondContact O-N 3.2Å; S58-V61 PolarHBondContact O-N 3.15Å
59W95.3Very high96.7Very high24 Ų2447.6 Ų47.69%0.09124%0.241CC..Hα-helixtrans-59.5-30.7178.968.9-95000113.3L11 C37 P38 A40 P46 E57 K62 F63L11-W59 HydrophobicContact CD1-CH2 4.32Å; L11-W59 HydrophobicContact CD2-CH2 4.08Å; L11-W59 HydrophobicContact CD2-CZ3 3.87Å; C37-W59 WeakPolarHBondContact O-CA 3.32Å; C37-W59 WeakPolarHBondContact O-CB 2.84Å; C37-W59 PolarHBondContact O-N 3.4Å; P38-W59 WeakPolarHBondContact O-CB 3.18Å; A40-W59 HydrophobicContact CB-CD2 3.89Å; A40-W59 HydrophobicContact CB-CE3 4.12Å; A40-W59 HydrophobicContact CB-CG 4.47Å; A40-W59 HydrophobicContact CB-CH2 4.15Å; A40-W59 HydrophobicContact CB-CZ2 3.9Å; A40-W59 HydrophobicContact CB-CZ3 4.25Å; P46-W59 HydrophobicContact CB-CZ2 3.66Å; P46-W59 HydrophobicContact CG-CH2 4.35Å; P46-W59 HydrophobicContact CG-CZ2 3.91Å; E57-W59 VanDerWaalsContact C-N 3.32Å; E57-W59 PolarHBondContact O-N 3.06Å; E57-W59 PolarHBondContact OE2-NE1 2.88Å; W59-K62 WeakPolarHBondContact O-CE 3.29Å; W59-K62 WeakPolarHBondContact O-CG 3.35Å; W59-F63 HydrophobicContact CE3-CE2 4.49Å
60C95.9Very high96.7Very high4 Ų449.2 Ų49.23%0.02725%0.249CC..Hα-helixtrans-82.8-22.6-175.881.80000112.2P46 E57 S58 K62 F63 L64P46-C60 HydrophobicContact CB-CB 3.77Å; P46-C60 VanDerWaalsContact CB-SG 3.6Å; P46-C60 HydrophobicContact CG-CB 3.73Å; E57-C60 PolarHBondContact O-N 3.44Å; E57-C60 PolarHBondContact O-SG 3Å; S58-C60 PolarHBondContact O-N 3.2Å; C60-K62 VanDerWaalsContact C-N 3.31Å; C60-K62 PolarHBondContact O-N 3.38Å; C60-F63 PolarHBondContact O-N 3.36Å; C60-F63 VanDerWaalsContact O-N 3.07Å; C60-L64 VanDerWaalsContact O-CB 3.26Å; C60-L64 WeakPolarHBondContact O-CB 3.42Å; C60-L64 PolarHBondContact O-N 3.4Å
61V96.6Very high96.8Very high32 Ų3247 Ų4719%0.19423%0.232CC..Hα-helixtrans-61.7-37.2-173.9177.50000112.2L34 V56 S58 F63 L64 L65 L97L34-V61 HydrophobicContact CD1-CG2 3.67Å; V56-V61 HydrophobicContact CG1-CG2 4.13Å; S58-V61 PolarHBondContact O-N 3.15Å; V61-F63 PolarHBondContact O-N 3.25Å; V61-L64 PolarHBondContact O-N 2.92Å; V61-L65 HydrophobicContact CG1-CB 4.34Å; V61-L65 WeakPolarHBondContact O-CB 3.43Å; V61-L65 PolarHBondContact O-N 3.29Å; V61-L97 HydrophobicContact CG1-CD2 4.5Å; V61-L97 HydrophobicContact CG2-CD2 4.19Å
62K94.1Very high96.9Very high123 Ų12339.3 Ų39.354%0.53520%0.197SC..Hα-helixtrans-63.2-19.617870.2-168.9177-175.40114W59 C60 P66W59-K62 WeakPolarHBondContact O-CE 3.29Å; W59-K62 WeakPolarHBondContact O-CG 3.35Å; C60-K62 VanDerWaalsContact C-N 3.31Å; C60-K62 PolarHBondContact O-N 3.38Å; K62-P66 WeakPolarHBondContact O-CD 3.42Å; K62-P66 WeakPolarHBondContact O-CG 3.24Å
63F95.5Very high97Very high74 Ų7438.4 Ų38.433%0.32519%0.191SC..Hα-helixtrans-101.8-45.1174.9-54.7-70000111.3V8 V12 W59 C60 V61 Y67V8-F63 HydrophobicContact CG1-CB 3.95Å; V8-F63 HydrophobicContact CG1-CD1 3.86Å; V8-F63 HydrophobicContact CG1-CG 4.18Å; V8-F63 HydrophobicContact CG2-CD1 4.39Å; V12-F63 HydrophobicContact CG2-CB 3.91Å; W59-F63 HydrophobicContact CE3-CE2 4.49Å; C60-F63 PolarHBondContact O-N 3.36Å; C60-F63 VanDerWaalsContact O-N 3.07Å; V61-F63 PolarHBondContact O-N 3.25Å; F63-Y67 WeakPolarHBondContact O-CB 3.31Å; F63-Y67 PolarHBondContact O-N 2.84Å
64L97.1Very high97Very high1 Ų138 Ų381%0.00519%0.193CC..Hα-helixtrans-60.7-51.6-176.8-179.261.5000111.9V12 V15 V16 I19 C60 V61 Y67 V68 T93 L97V12-L64 HydrophobicContact CG1-CD1 3.56Å; V15-L64 HydrophobicContact CB-CD1 4.3Å; V15-L64 HydrophobicContact CG1-CD1 4.05Å; V15-L64 HydrophobicContact CG1-CD2 3.76Å; V16-L64 HydrophobicContact CG2-CD1 3.93Å; I19-L64 HydrophobicContact CD1-CD2 4.46Å; C60-L64 VanDerWaalsContact O-CB 3.26Å; C60-L64 WeakPolarHBondContact O-CB 3.42Å; C60-L64 PolarHBondContact O-N 3.4Å; V61-L64 PolarHBondContact O-N 2.92Å; L64-Y67 PolarHBondContact O-N 3.04Å; L64-V68 HydrophobicContact CD1-CG1 4.08Å; L64-V68 WeakPolarHBondContact O-CG2 3.4Å; L64-V68 PolarHBondContact O-N 3.1Å; L64-T93 HydrophobicContact CD1-CG2 3.84Å; L64-T93 HydrophobicContact CD2-CG2 4.05Å; L64-T93 HydrophobicContact CG-CG2 4.04Å; L64-L97 HydrophobicContact CD2-CD1 3.68Å; L64-L97 HydrophobicContact CG-CD1 3.81Å
65L97.5Very high97Very high51 Ų5140.7 Ų40.727%0.26720%0.203SC..Hα-helixtrans-64.4-51.3-173.9176.464.1000112.3V61 Y67 V68 H69 L94 L97 N98V61-L65 HydrophobicContact CG1-CB 4.34Å; V61-L65 WeakPolarHBondContact O-CB 3.43Å; V61-L65 PolarHBondContact O-N 3.29Å; L65-Y67 VanDerWaalsContact C-N 3.29Å; L65-Y67 PolarHBondContact O-N 3.28Å; L65-V68 PolarHBondContact O-N 3.49Å; L65-H69 WeakPolarHBondContact O-CB 3.11Å; L65-H69 PolarHBondContact O-N 3.04Å; L65-L94 HydrophobicContact CD1-CD1 3.45Å; L65-L94 VanDerWaalsContact CD1-CD1 3.45Å; L65-L97 HydrophobicContact CB-CD1 4.23Å; L65-L97 HydrophobicContact CD1-CB 4.16Å; L65-L97 HydrophobicContact CD1-CD1 4.48Å; L65-N98 HydrophobicContact CD1-CB 4.22Å
66P97.4Very high97Very high62 Ų6244.1 Ų44.140%0.40321%0.214SC..Hα-helixtrans-60.4-37.5176.9-25.436000113.3K62 N70K62-P66 WeakPolarHBondContact O-CD 3.42Å; K62-P66 WeakPolarHBondContact O-CG 3.24Å; P66-N70 VanDerWaalsContact O-CB 3.25Å; P66-N70 WeakPolarHBondContact O-CB 3.48Å; P66-N70 PolarHBondContact O-N 3.02Å; P66-N70 PolarHBondContact O-ND2 3.44Å
67Y96.5Very high97Very high35 Ų3548.4 Ų48.414%0.13723%0.233CC..Hα-helixtrans-63.8-55178.6176.8-85.1000111.8D9 V12 Q13 F63 L64 L65 H69 N70 K71D9-Y67 HydrophobicContact CB-CE2 4.04Å; D9-Y67 VanDerWaalsContact OD1-CD2 3.28Å; D9-Y67 WeakPolarHBondContact OD1-CD2 3.37Å; D9-Y67 VanDerWaalsContact OD1-CE2 3.32Å; D9-Y67 WeakPolarHBondContact OD1-CE2 3.42Å; V12-Y67 HydrophobicContact CB-CD1 4.1Å; V12-Y67 HydrophobicContact CB-CD2 4.4Å; V12-Y67 HydrophobicContact CB-CG 4.01Å; V12-Y67 HydrophobicContact CG1-CD1 3.21Å; V12-Y67 HydrophobicContact CG1-CD2 4.3Å; V12-Y67 HydrophobicContact CG1-CE1 3.88Å; V12-Y67 HydrophobicContact CG1-CG 3.48Å; V12-Y67 VanDerWaalsContact CG1-CG 3.48Å; V12-Y67 HydrophobicContact CG2-CG 4.49Å; Q13-Y67 HydrophobicContact CG-CE1 4.43Å; Q13-Y67 WeakPolarHBondContact CG-OH 3.24Å; Q13-Y67 PolarHBondContact NE2-OH 2.71Å; F63-Y67 WeakPolarHBondContact O-CB 3.31Å; F63-Y67 PolarHBondContact O-N 2.84Å; L64-Y67 PolarHBondContact O-N 3.04Å; L65-Y67 VanDerWaalsContact C-N 3.29Å; L65-Y67 PolarHBondContact O-N 3.28Å; Y67-H69 VanDerWaalsContact C-N 3.3Å; Y67-H69 PolarHBondContact O-N 3.4Å; Y67-N70 PolarHBondContact O-N 3.43Å; Y67-K71 HydrophobicContact CE1-CD 3.69Å; Y67-K71 VanDerWaalsContact O-CB 3.28Å; Y67-K71 WeakPolarHBondContact O-CB 3.49Å; Y67-K71 PolarHBondContact O-N 3.24Å; Y67-K71 PolarHBondContact OH-NZ 2.85Å
68V97.5Very high97Very high0 Ų057.7 Ų57.70%027%0.266CS..Hα-helixtrans-67.3-34.1-177.4-59.70000111.5V16 L64 L65 L72 I90 T93 L94V16-V68 HydrophobicContact CG2-CG1 3.76Å; L64-V68 HydrophobicContact CD1-CG1 4.08Å; L64-V68 WeakPolarHBondContact O-CG2 3.4Å; L64-V68 PolarHBondContact O-N 3.1Å; L65-V68 PolarHBondContact O-N 3.49Å; V68-L72 WeakPolarHBondContact O-CB 3.2Å; V68-L72 PolarHBondContact O-N 3.21Å; V68-L72 VanDerWaalsContact O-N 3.08Å; V68-I90 HydrophobicContact CB-CD1 4.3Å; V68-I90 HydrophobicContact CB-CG2 4.23Å; V68-I90 HydrophobicContact CG1-CD1 3.88Å; V68-T93 HydrophobicContact CG1-CG2 4.15Å; V68-L94 HydrophobicContact CG2-CB 3.86Å; V68-L94 HydrophobicContact CG2-CD1 3.98Å; V68-L94 HydrophobicContact CG2-CG 4.35Å
69H98.1Very high97Very high56 Ų5663.5 Ų63.526%0.25929%0.288SS..Hα-helixtrans-61.4-54.3172.8177.8-91.6000111.6L65 Y67 K71 L72 L73 L94 F101L65-H69 WeakPolarHBondContact O-CB 3.11Å; L65-H69 PolarHBondContact O-N 3.04Å; Y67-H69 VanDerWaalsContact C-N 3.3Å; Y67-H69 PolarHBondContact O-N 3.4Å; H69-K71 VanDerWaalsContact C-N 3.33Å; H69-K71 PolarHBondContact O-N 2.98Å; H69-L72 PolarHBondContact O-N 2.98Å; H69-L73 WeakPolarHBondContact CE1-CD1 3.44Å; H69-L73 WeakPolarHBondContact O-CG 3.5Å; H69-L73 PolarHBondContact O-N 3.4Å; H69-L94 HydrophobicContact CB-CD1 4.35Å; H69-F101 AromaticContact CD2-CE1 3.77Å; H69-F101 AromaticContact CD2-CE2 3.99Å; H69-F101 AromaticContact CD2-CZ 3.59Å; H69-F101 AromaticContact NE2-CE2 3.72Å; H69-F101 AromaticContact NE2-CZ 3.58Å
70N97.3Very high97Very high85 Ų8566.7 Ų66.746%0.45530%0.304SS..Hα-helixtrans-64.5-38.2-179.1-71.9-18.6000112P66 Y67 L72 L73 L74P66-N70 VanDerWaalsContact O-CB 3.25Å; P66-N70 WeakPolarHBondContact O-CB 3.48Å; P66-N70 PolarHBondContact O-N 3.02Å; P66-N70 PolarHBondContact O-ND2 3.44Å; Y67-N70 PolarHBondContact O-N 3.43Å; N70-L72 VanDerWaalsContact C-N 3.33Å; N70-L72 PolarHBondContact O-N 3.1Å; N70-L73 PolarHBondContact O-N 3.42Å; N70-L74 WeakPolarHBondContact O-CB 3.39Å; N70-L74 VanDerWaalsContact O-CG 3.31Å; N70-L74 WeakPolarHBondContact O-CG 3.29Å; N70-L74 PolarHBondContact O-N 3.24Å
71K96.7Very high97Very high43 Ų4375.9 Ų75.919%0.18734%0.338CS..Hα-helixtrans-61.9-41.7176.7-165.4164.9-176.21760111.5Y67 H69 Y75 L82 I90Y67-K71 HydrophobicContact CE1-CD 3.69Å; Y67-K71 VanDerWaalsContact O-CB 3.28Å; Y67-K71 WeakPolarHBondContact O-CB 3.49Å; Y67-K71 PolarHBondContact O-N 3.24Å; Y67-K71 PolarHBondContact OH-NZ 2.85Å; H69-K71 VanDerWaalsContact C-N 3.33Å; H69-K71 PolarHBondContact O-N 2.98Å; K71-Y75 PolarHBondContact O-N 3.08Å; K71-Y75 VanDerWaalsContact O-N 3.11Å; K71-L82 HydrophobicContact CD-CD2 4.42Å; K71-L82 HydrophobicContact CG-CD1 4.13Å; K71-L82 HydrophobicContact CG-CD2 4.24Å; K71-I90 HydrophobicContact CD-CD1 3.86Å; K71-I90 HydrophobicContact CD-CG1 4.33Å
72L98.3Very high97Very high0 Ų075 Ų750%033%0.332CS..Hα-helixtrans-66.9-40.1174.8-165.967.3000112.4V68 H69 N70 Y75 R76 L87 I90 T91 L94 F101 A104 V107V68-L72 WeakPolarHBondContact O-CB 3.2Å; V68-L72 PolarHBondContact O-N 3.21Å; V68-L72 VanDerWaalsContact O-N 3.08Å; H69-L72 PolarHBondContact O-N 2.98Å; N70-L72 VanDerWaalsContact C-N 3.33Å; N70-L72 PolarHBondContact O-N 3.1Å; L72-Y75 HydrophobicContact CD1-CD1 4.37Å; L72-Y75 WeakPolarHBondContact O-CB 3.47Å; L72-Y75 PolarHBondContact O-N 3.49Å; L72-R76 PolarHBondContact O-N 3.26Å; L72-L87 HydrophobicContact CD1-CD2 4.21Å; L72-I90 HydrophobicContact CB-CG2 4.22Å; L72-I90 HydrophobicContact CD1-CG2 4.37Å; L72-T91 HydrophobicContact CD1-CG2 3.74Å; L72-T91 HydrophobicContact CD2-CG2 4.03Å; L72-L94 HydrophobicContact CB-CD2 4.38Å; L72-L94 HydrophobicContact CD2-CD2 3.86Å; L72-F101 HydrophobicContact CD2-CD1 4.42Å; L72-F101 HydrophobicContact CD2-CE1 3.89Å; L72-A104 HydrophobicContact CD2-CB 3.71Å; L72-V107 HydrophobicContact CD1-CG2 4Å
73L98.3Very high97.1Very high50 Ų5072.5 Ų72.526%0.26233%0.325SS..Hα-helixtrans-65-41.5176.4-71.5-173.4000112.5H69 N70 Y75 R76 Q77 F101H69-L73 WeakPolarHBondContact CE1-CD1 3.44Å; H69-L73 WeakPolarHBondContact O-CG 3.5Å; H69-L73 PolarHBondContact O-N 3.4Å; N70-L73 PolarHBondContact O-N 3.42Å; L73-Y75 VanDerWaalsContact C-N 3.29Å; L73-Y75 PolarHBondContact O-N 3.13Å; L73-R76 PolarHBondContact O-N 2.98Å; L73-Q77 WeakPolarHBondContact O-CB 3.47Å; L73-Q77 VanDerWaalsContact O-CG 3.29Å; L73-Q77 WeakPolarHBondContact O-CG 3.33Å; L73-Q77 PolarHBondContact O-N 2.93Å; L73-F101 HydrophobicContact CD2-CZ 4.03Å
74L98.1Very high97.1Very high68 Ų6876 Ų7636%0.35634%0.335SS..Hα-helixtrans-62.8-38.1175.6-71.7172.5000111.7N70 Q77 R78 K79 H80N70-L74 WeakPolarHBondContact O-CB 3.39Å; N70-L74 VanDerWaalsContact O-CG 3.31Å; N70-L74 WeakPolarHBondContact O-CG 3.29Å; N70-L74 PolarHBondContact O-N 3.24Å; L74-Q77 PolarHBondContact O-N 3.39Å; L74-R78 PolarHBondContact O-N 3.5Å; L74-K79 HydrophobicContact CB-CB 4.47Å; L74-K79 HydrophobicContact CD2-CB 3.92Å; L74-K79 HydrophobicContact CD2-CD 3.89Å; L74-K79 PolarHBondContact O-N 3.41Å; L74-H80 HydrophobicContact CB-CB 3.85Å; L74-H80 PolarHBondContact O-N 3.39Å
75Y98.2Very high97Very high59 Ų5981.5 Ų81.523%0.23136%0.361CS..Hα-helixtrans-60.3-49.6170.2166.8-99000111.9K71 L72 L73 Q77 R78 H80 L82 L87 V107K71-Y75 PolarHBondContact O-N 3.08Å; K71-Y75 VanDerWaalsContact O-N 3.11Å; L72-Y75 HydrophobicContact CD1-CD1 4.37Å; L72-Y75 WeakPolarHBondContact O-CB 3.47Å; L72-Y75 PolarHBondContact O-N 3.49Å; L73-Y75 VanDerWaalsContact C-N 3.29Å; L73-Y75 PolarHBondContact O-N 3.13Å; Y75-Q77 VanDerWaalsContact C-N 3.28Å; Y75-Q77 PolarHBondContact O-N 3.21Å; Y75-R78 WeakPolarHBondContact O-CA 3.32Å; Y75-R78 PolarHBondContact O-N 3.36Å; Y75-H80 VanDerWaalsContact CA-O 3.31Å; Y75-H80 WeakPolarHBondContact CA-O 3.42Å; Y75-L82 HydrophobicContact CD2-CB 4.11Å; Y75-L82 HydrophobicContact CD2-CD1 4.45Å; Y75-L82 HydrophobicContact CD2-CG 4.41Å; Y75-L82 HydrophobicContact CG-CD1 4.23Å; Y75-L87 HydrophobicContact CD1-CD2 3.6Å; Y75-L87 HydrophobicContact CD2-CD2 3.89Å; Y75-L87 HydrophobicContact CE1-CD1 4.15Å; Y75-L87 HydrophobicContact CE1-CD2 3.64Å; Y75-L87 HydrophobicContact CE2-CD1 3.77Å; Y75-L87 HydrophobicContact CE2-CD2 3.91Å; Y75-L87 HydrophobicContact CE2-CG 4.35Å; Y75-L87 HydrophobicContact CG-CD2 3.73Å; Y75-V107 HydrophobicContact CE1-CG1 4.5Å; Y75-V107 HydrophobicContact CE1-CG2 4.26Å
76R97.6Very high97Very high81 Ų8180.3 Ų80.331%0.30636%0.359SS..Hα-helixtrans-61.2-35.5177.6-75.5-61.5-162.6-179.62.8113.2L72 L73 R78 T103 N106 E110L72-R76 PolarHBondContact O-N 3.26Å; L73-R76 PolarHBondContact O-N 2.98Å; R76-R78 PolarHBondContact O-N 3.34Å; R76-T103 HydrophobicContact CG-CG2 3.76Å; R76-N106 VanDerWaalsContact NH2-C 3.34Å; R76-E110 IonicContact CZ-OE1 3.2Å; R76-E110 IonicContact CZ-OE2 3.7Å; R76-E110 VanDerWaalsContact NH1-CD 3.29Å; R76-E110 IonicContact NH1-OE1 2.71Å; R76-E110 PolarHBondContact NH1-OE1 3.48Å; R76-E110 IonicContact NH1-OE2 3.03Å; R76-E110 PolarHBondContact NH1-OE2 2.89Å; R76-E110 IonicContact NH2-OE1 2.76Å; R76-E110 PolarHBondContact NH2-OE1 2.75Å; R76-E110 IonicContact NH2-OE2 3.63Å
77Q97.8Very high97Very high104 Ų10477.6 Ų77.649%0.48634%0.341SS..THydrogen-bonded Turntrans-78.30.8174.8-68.4176.912.300113.5L73 L74 Y75 K79L73-Q77 WeakPolarHBondContact O-CB 3.47Å; L73-Q77 VanDerWaalsContact O-CG 3.29Å; L73-Q77 WeakPolarHBondContact O-CG 3.33Å; L73-Q77 PolarHBondContact O-N 2.93Å; L74-Q77 PolarHBondContact O-N 3.39Å; Y75-Q77 VanDerWaalsContact C-N 3.28Å; Y75-Q77 PolarHBondContact O-N 3.21Å; Q77-K79 HydrophobicContact CB-CD 4.15Å; Q77-K79 HydrophobicContact CB-CG 4.06Å; Q77-K79 PolarHBondContact O-N 3.35Å
78R96.9Very high97Very high235 Ų23577.1 Ų77.189%0.88734%0.342SS*.THydrogen-bonded Turntrans58.324.7-176.4-50.8177.9-176.7172.1-0.2113.7L74 Y75 R76L74-R78 PolarHBondContact O-N 3.5Å; Y75-R78 WeakPolarHBondContact O-CA 3.32Å; Y75-R78 PolarHBondContact O-N 3.36Å; R76-R78 PolarHBondContact O-N 3.34Å
79K97.2Very high97Very high147 Ų14779.1 Ų79.164%0.63935%0.352SS*.SBendtrans-89.9-20.9177.9-70.2-179.5179.9166.40112.9L74 Q77L74-K79 HydrophobicContact CB-CB 4.47Å; L74-K79 HydrophobicContact CD2-CB 3.92Å; L74-K79 HydrophobicContact CD2-CD 3.89Å; L74-K79 PolarHBondContact O-N 3.41Å; Q77-K79 HydrophobicContact CB-CD 4.15Å; Q77-K79 HydrophobicContact CB-CG 4.06Å; Q77-K79 PolarHBondContact O-N 3.35Å
80H94.9Very high97Very high90 Ų9076.7 Ų76.742%0.41734%0.341SS..SBendtrans-143.2125.7179.1-172.1-77.6000109.8L74 Y75L74-H80 HydrophobicContact CB-CB 3.85Å; L74-H80 PolarHBondContact O-N 3.39Å; Y75-H80 VanDerWaalsContact CA-O 3.31Å; Y75-H80 WeakPolarHBondContact CA-O 3.42Å
81W96.1Very high97.1Very high197 Ų19772.7 Ų72.775%0.74632%0.32SS*.  trans-80.4142.5177.6-176.688.3000111.1D83W81-D83 HydrophobicContact CH2-CB 3.46Å; W81-D83 VanDerWaalsContact CH2-CB 3.46Å; W81-D83 HydrophobicContact CZ2-CB 4.14Å; W81-D83 HydrophobicContact CZ3-CB 3.85Å
82L95.6Very high97.2Very high13 Ų1371.3 Ų71.37%0.06832%0.315CS..  trans-134.3136.1173.3-64.5172.8000108K71 Y75 A86 L87K71-L82 HydrophobicContact CD-CD2 4.42Å; K71-L82 HydrophobicContact CG-CD1 4.13Å; K71-L82 HydrophobicContact CG-CD2 4.24Å; Y75-L82 HydrophobicContact CD2-CB 4.11Å; Y75-L82 HydrophobicContact CD2-CD1 4.45Å; Y75-L82 HydrophobicContact CD2-CG 4.41Å; Y75-L82 HydrophobicContact CG-CD1 4.23Å; L82-A86 HydrophobicContact CB-CB 4.4Å; L82-A86 HydrophobicContact CD2-CB 4.44Å; L82-L87 HydrophobicContact CB-CD2 3.9Å; L82-L87 HydrophobicContact CB-CG 3.89Å; L82-L87 HydrophobicContact CD1-CD2 3.8Å; L82-L87 HydrophobicContact CG-CD2 4.49Å
83D96Very high97.2Very high71 Ų7171.3 Ų71.338%0.3832%0.315SS..  trans-70.7171170.467.249.7000111.4W81 E85 A86 L87W81-D83 HydrophobicContact CH2-CB 3.46Å; W81-D83 VanDerWaalsContact CH2-CB 3.46Å; W81-D83 HydrophobicContact CZ2-CB 4.14Å; W81-D83 HydrophobicContact CZ3-CB 3.85Å; D83-E85 PolarHBondContact O-N 3.5Å; D83-E85 PolarHBondContact OD1-N 3.2Å; D83-A86 PolarHBondContact O-N 3.23Å; D83-A86 VanDerWaalsContact OD1-CB 3.31Å; D83-A86 WeakPolarHBondContact OD1-CB 3.49Å; D83-A86 PolarHBondContact OD1-N 3.47Å; D83-L87 VanDerWaalsContact O-CG 3.3Å; D83-L87 WeakPolarHBondContact O-CG 3.31Å; D83-L87 PolarHBondContact O-N 3.23Å
84R96.1Very high97.2Very high147 Ų14769 Ų6956%0.55530%0.303SS*.Hα-helixtrans-63.3-40-176-66.1174.5177.7-170.50.4112.6L87 V88 L111 A116R84-L87 PolarHBondContact O-N 3.12Å; R84-V88 WeakPolarHBondContact O-CG2 3.37Å; R84-V88 PolarHBondContact O-N 3.29Å; R84-L111 HydrophobicContact CB-CD2 4.43Å; R84-L111 HydrophobicContact CG-CD2 4.38Å; R84-A116 HydrophobicContact CB-CB 4.49Å; R84-A116 HydrophobicContact CG-CB 4.37Å
85E95.3Very high97.2Very high118 Ų11865.7 Ų65.755%0.55129%0.286SS*.Hα-helixtrans-67.6-44.5-180-67-65.912900110.6D83 L87 V88 D89D83-E85 PolarHBondContact O-N 3.5Å; D83-E85 PolarHBondContact OD1-N 3.2Å; E85-L87 VanDerWaalsContact C-N 3.31Å; E85-L87 PolarHBondContact O-N 3.31Å; E85-V88 WeakPolarHBondContact O-CB 3.46Å; E85-V88 PolarHBondContact O-N 3.5Å; E85-V88 VanDerWaalsContact O-N 3.13Å; E85-D89 PolarHBondContact O-N 3.33Å
86A96.3Very high97.2Very high25 Ų2563.4 Ų63.421%0.20728%0.278CS..Hα-helixtrans-61.1-38.817500000111.8L82 D83 D89 I90L82-A86 HydrophobicContact CB-CB 4.4Å; L82-A86 HydrophobicContact CD2-CB 4.44Å; D83-A86 PolarHBondContact O-N 3.23Å; D83-A86 VanDerWaalsContact OD1-CB 3.31Å; D83-A86 WeakPolarHBondContact OD1-CB 3.49Å; D83-A86 PolarHBondContact OD1-N 3.47Å; A86-D89 PolarHBondContact O-N 3.04Å; A86-I90 VanDerWaalsContact O-CB 3.27Å; A86-I90 WeakPolarHBondContact O-CB 3.34Å; A86-I90 WeakPolarHBondContact O-CG1 3.25Å; A86-I90 PolarHBondContact O-N 3.43Å
87L98Very high97.2Very high5 Ų560.5 Ų60.53%0.02627%0.268CS..Hα-helixtrans-64.2-41.5173.7-72.6169.4000112L72 Y75 L82 D83 R84 E85 T91 V107 L111L72-L87 HydrophobicContact CD1-CD2 4.21Å; Y75-L87 HydrophobicContact CD1-CD2 3.6Å; Y75-L87 HydrophobicContact CD2-CD2 3.89Å; Y75-L87 HydrophobicContact CE1-CD1 4.15Å; Y75-L87 HydrophobicContact CE1-CD2 3.64Å; Y75-L87 HydrophobicContact CE2-CD1 3.77Å; Y75-L87 HydrophobicContact CE2-CD2 3.91Å; Y75-L87 HydrophobicContact CE2-CG 4.35Å; Y75-L87 HydrophobicContact CG-CD2 3.73Å; L82-L87 HydrophobicContact CB-CD2 3.9Å; L82-L87 HydrophobicContact CB-CG 3.89Å; L82-L87 HydrophobicContact CD1-CD2 3.8Å; L82-L87 HydrophobicContact CG-CD2 4.49Å; D83-L87 VanDerWaalsContact O-CG 3.3Å; D83-L87 WeakPolarHBondContact O-CG 3.31Å; D83-L87 PolarHBondContact O-N 3.23Å; R84-L87 PolarHBondContact O-N 3.12Å; E85-L87 VanDerWaalsContact C-N 3.31Å; E85-L87 PolarHBondContact O-N 3.31Å; L87-T91 WeakPolarHBondContact O-CB 3.44Å; L87-T91 VanDerWaalsContact O-CG2 3.28Å; L87-T91 WeakPolarHBondContact O-CG2 3.31Å; L87-T91 PolarHBondContact O-N 3.5Å; L87-T91 PolarHBondContact O-OG1 3.39Å; L87-V107 HydrophobicContact CB-CG1 4.43Å; L87-V107 HydrophobicContact CD2-CG1 4.2Å; L87-L111 HydrophobicContact CB-CD1 4.1Å; L87-L111 HydrophobicContact CD1-CD2 4.45Å
88V97.8Very high97.2Very high26 Ų2658.2 Ų58.216%0.15826%0.259CS..Hα-helixtrans-61.2-47.2175.5171.10000110.6R84 E85 T91 C92 R108 L111 L117R84-V88 WeakPolarHBondContact O-CG2 3.37Å; R84-V88 PolarHBondContact O-N 3.29Å; E85-V88 WeakPolarHBondContact O-CB 3.46Å; E85-V88 PolarHBondContact O-N 3.5Å; E85-V88 VanDerWaalsContact O-N 3.13Å; V88-T91 PolarHBondContact O-OG1 3.05Å; V88-C92 WeakPolarHBondContact O-CB 3.29Å; V88-C92 PolarHBondContact O-N 3.1Å; V88-R108 PolarHBondContact O-NH1 2.97Å; V88-R108 VanDerWaalsContact O-NH1 3.15Å; V88-L111 HydrophobicContact CG2-CD1 3.88Å; V88-L117 HydrophobicContact CG1-CD1 4.43Å; V88-L117 HydrophobicContact CG2-CD1 4.3Å
89D97.4Very high97.3Very high42 Ų4247.1 Ų47.123%0.22522%0.217CC..Hα-helixtrans-66.3-45.6-178.4-76.1-18.8000112.6V16 S20 E85 A86 C92 T93V16-D89 HydrophobicContact CG1-CB 3.91Å; S20-D89 WeakPolarHBondContact CB-OD1 3.38Å; S20-D89 PolarHBondContact OG-OD1 3.32Å; E85-D89 PolarHBondContact O-N 3.33Å; A86-D89 PolarHBondContact O-N 3.04Å; D89-C92 PolarHBondContact O-N 3.27Å; D89-T93 WeakPolarHBondContact O-CB 3.47Å; D89-T93 PolarHBondContact O-N 2.89Å; D89-T93 PolarHBondContact O-OG1 3.35Å
90I98Very high97.4Very high5 Ų543.7 Ų43.73%0.02621%0.206CC..Hα-helixtrans-65.4-46.9179.1-70.5-65.7000110.9V16 V68 K71 L72 A86 T93 L94V16-I90 HydrophobicContact CG1-CD1 4.44Å; V16-I90 HydrophobicContact CG2-CD1 4.36Å; V68-I90 HydrophobicContact CB-CD1 4.3Å; V68-I90 HydrophobicContact CB-CG2 4.23Å; V68-I90 HydrophobicContact CG1-CD1 3.88Å; K71-I90 HydrophobicContact CD-CD1 3.86Å; K71-I90 HydrophobicContact CD-CG1 4.33Å; L72-I90 HydrophobicContact CB-CG2 4.22Å; L72-I90 HydrophobicContact CD1-CG2 4.37Å; A86-I90 VanDerWaalsContact O-CB 3.27Å; A86-I90 WeakPolarHBondContact O-CB 3.34Å; A86-I90 WeakPolarHBondContact O-CG1 3.25Å; A86-I90 PolarHBondContact O-N 3.43Å; I90-T93 PolarHBondContact O-N 3.14Å; I90-L94 VanDerWaalsContact O-CB 3.25Å; I90-L94 WeakPolarHBondContact O-CB 3.25Å; I90-L94 PolarHBondContact O-N 3.12Å
91T98.6Very high97.5Very high0 Ų040.8 Ų40.80%019%0.193CC..Hα-helixtrans-69.3-3717956.40000112L72 L87 V88 L94 L95 A104 V107 R108L72-T91 HydrophobicContact CD1-CG2 3.74Å; L72-T91 HydrophobicContact CD2-CG2 4.03Å; L87-T91 WeakPolarHBondContact O-CB 3.44Å; L87-T91 VanDerWaalsContact O-CG2 3.28Å; L87-T91 WeakPolarHBondContact O-CG2 3.31Å; L87-T91 PolarHBondContact O-N 3.5Å; L87-T91 PolarHBondContact O-OG1 3.39Å; V88-T91 PolarHBondContact O-OG1 3.05Å; T91-L94 PolarHBondContact O-N 3.39Å; T91-L95 VanDerWaalsContact O-CB 3.32Å; T91-L95 WeakPolarHBondContact O-CB 3.44Å; T91-L95 WeakPolarHBondContact O-CD1 3.38Å; T91-L95 WeakPolarHBondContact O-CG 3.48Å; T91-L95 PolarHBondContact O-N 3.49Å; T91-A104 HydrophobicContact CG2-CB 4.32Å; T91-V107 HydrophobicContact CG2-CB 4.03Å; T91-V107 HydrophobicContact CG2-CG1 3.91Å; T91-R108 HydrophobicContact CG2-CG 4.28Å; T91-R108 WeakPolarHBondContact OG1-CG 3.36Å; T91-R108 PolarHBondContact OG1-NH1 3.24Å
92C98.4Very high97.7Very high15 Ų1534 Ų3410%0.10117%0.173CC..Hα-helixtrans-56.5-55.8172.7178.40000110.6V88 D89 L94 L95 L96 L125V88-C92 WeakPolarHBondContact O-CB 3.29Å; V88-C92 PolarHBondContact O-N 3.1Å; D89-C92 PolarHBondContact O-N 3.27Å; C92-L94 VanDerWaalsContact C-N 3.32Å; C92-L94 PolarHBondContact O-N 3.25Å; C92-L95 PolarHBondContact O-N 2.82Å; C92-L96 WeakPolarHBondContact O-CG 3.43Å; C92-L96 PolarHBondContact O-N 2.73Å; C92-L125 HydrophobicContact CB-CD2 4.47Å
93T98.3Very high97.8Very high0 Ų035.5 Ų35.50%018%0.183CC..Hα-helixtrans-58.7-44.4-179.3-57.30000111.9V16 I19 L64 V68 D89 I90 L95 L96 L97V16-T93 HydrophobicContact CG2-CG2 4.22Å; I19-T93 HydrophobicContact CD1-CG2 3.64Å; L64-T93 HydrophobicContact CD1-CG2 3.84Å; L64-T93 HydrophobicContact CD2-CG2 4.05Å; L64-T93 HydrophobicContact CG-CG2 4.04Å; V68-T93 HydrophobicContact CG1-CG2 4.15Å; D89-T93 WeakPolarHBondContact O-CB 3.47Å; D89-T93 PolarHBondContact O-N 2.89Å; D89-T93 PolarHBondContact O-OG1 3.35Å; I90-T93 PolarHBondContact O-N 3.14Å; T93-L95 PolarHBondContact O-N 3.22Å; T93-L96 PolarHBondContact O-N 2.7Å; T93-L97 HydrophobicContact CG2-CD1 4.34Å; T93-L97 WeakPolarHBondContact O-CG 3.48Å; T93-L97 PolarHBondContact O-N 3.33Å
94L98.6Very high97.9Very high0 Ų032.1 Ų32.10%017%0.165CC..Hα-helixtrans-63-42.6180-178.247.5000111.9L65 V68 H69 L72 I90 T91 C92 L97 N98 F101 A104L65-L94 HydrophobicContact CD1-CD1 3.45Å; L65-L94 VanDerWaalsContact CD1-CD1 3.45Å; V68-L94 HydrophobicContact CG2-CB 3.86Å; V68-L94 HydrophobicContact CG2-CD1 3.98Å; V68-L94 HydrophobicContact CG2-CG 4.35Å; H69-L94 HydrophobicContact CB-CD1 4.35Å; L72-L94 HydrophobicContact CB-CD2 4.38Å; L72-L94 HydrophobicContact CD2-CD2 3.86Å; I90-L94 VanDerWaalsContact O-CB 3.25Å; I90-L94 WeakPolarHBondContact O-CB 3.25Å; I90-L94 PolarHBondContact O-N 3.12Å; T91-L94 PolarHBondContact O-N 3.39Å; C92-L94 VanDerWaalsContact C-N 3.32Å; C92-L94 PolarHBondContact O-N 3.25Å; L94-L97 PolarHBondContact O-N 3.23Å; L94-N98 PolarHBondContact O-N 3.11Å; L94-F101 HydrophobicContact CD1-CD1 4.32Å; L94-F101 HydrophobicContact CD2-CD1 3.36Å; L94-F101 HydrophobicContact CD2-CE1 3.53Å; L94-F101 HydrophobicContact CG-CD1 3.88Å; L94-F101 HydrophobicContact CG-CE1 4.5Å; L94-A104 HydrophobicContact CD2-CB 4.18Å; L94-A104 HydrophobicContact CG-CB 4.42Å
95L98.7Very high98.1Very high0 Ų025.1 Ų25.10%014%0.138CC..Hα-helixtrans-75.3-25.2-177.8-69168.4000113.7T91 C92 T93 L97 P99 A104 W105 L125T91-L95 VanDerWaalsContact O-CB 3.32Å; T91-L95 WeakPolarHBondContact O-CB 3.44Å; T91-L95 WeakPolarHBondContact O-CD1 3.38Å; T91-L95 WeakPolarHBondContact O-CG 3.48Å; T91-L95 PolarHBondContact O-N 3.49Å; C92-L95 PolarHBondContact O-N 2.82Å; T93-L95 PolarHBondContact O-N 3.22Å; L95-L97 PolarHBondContact O-N 3.48Å; L95-P99 WeakPolarHBondContact O-CB 3.5Å; L95-A104 HydrophobicContact CD1-CB 4.17Å; L95-A104 HydrophobicContact CD2-CB 3.76Å; L95-A104 HydrophobicContact CG-CB 3.86Å; L95-W105 HydrophobicContact CB-CH2 4.42Å; L95-W105 HydrophobicContact CB-CZ2 4.26Å; L95-W105 HydrophobicContact CD1-CD2 3.65Å; L95-W105 HydrophobicContact CD1-CE3 3.47Å; L95-W105 VanDerWaalsContact CD1-CE3 3.47Å; L95-W105 HydrophobicContact CD1-CG 4.4Å; L95-W105 HydrophobicContact CD1-CH2 3.82Å; L95-W105 HydrophobicContact CD1-CZ2 3.97Å; L95-W105 HydrophobicContact CD1-CZ3 3.58Å; L95-W105 HydrophobicContact CD2-CD2 3.77Å; L95-W105 VanDerWaalsContact CD2-CE2 3.44Å; L95-W105 HydrophobicContact CD2-CE3 4.46Å; L95-W105 HydrophobicContact CD2-CG 3.99Å; L95-W105 HydrophobicContact CD2-CZ2 3.88Å; L95-W105 HydrophobicContact CG-CD2 4.33Å; L95-W105 HydrophobicContact CG-CH2 4.5Å; L95-W105 HydrophobicContact CG-CZ2 4.25Å; L95-L125 HydrophobicContact CB-CD2 4.45Å; L95-L125 HydrophobicContact CD1-CD2 4.09Å
96L98.2Very high98.2Very high11 Ų1122.4 Ų22.46%0.05813%0.127CC..Hα-helixtrans-68.6-23.1169.3-66.3175.2000112.7I19 F23 I32 C92 T93 L125 L128I19-L96 HydrophobicContact CG2-CD1 3.96Å; F23-L96 HydrophobicContact CE2-CD1 3.78Å; F23-L96 HydrophobicContact CZ-CD1 3.91Å; I32-L96 HydrophobicContact CD1-CB 4.13Å; I32-L96 HydrophobicContact CD1-CD2 3.63Å; I32-L96 HydrophobicContact CD1-CG 4.47Å; I32-L96 HydrophobicContact CG2-CD2 4.13Å; C92-L96 WeakPolarHBondContact O-CG 3.43Å; C92-L96 PolarHBondContact O-N 2.73Å; T93-L96 PolarHBondContact O-N 2.7Å; L96-L125 HydrophobicContact CD2-CD1 3.62Å; L96-L125 HydrophobicContact CG-CD1 3.93Å; L96-L128 HydrophobicContact CD2-CB 4.26Å
97L97.9Very high98.3Very high19 Ų1921.2 Ų21.210%0.09912%0.118CC..Hα-helixtrans-99.9-38.6-179.2-62.3173.8000112.8V61 L64 L65 T93 L94 L95 F133V61-L97 HydrophobicContact CG1-CD2 4.5Å; V61-L97 HydrophobicContact CG2-CD2 4.19Å; L64-L97 HydrophobicContact CD2-CD1 3.68Å; L64-L97 HydrophobicContact CG-CD1 3.81Å; L65-L97 HydrophobicContact CB-CD1 4.23Å; L65-L97 HydrophobicContact CD1-CB 4.16Å; L65-L97 HydrophobicContact CD1-CD1 4.48Å; T93-L97 HydrophobicContact CG2-CD1 4.34Å; T93-L97 WeakPolarHBondContact O-CG 3.48Å; T93-L97 PolarHBondContact O-N 3.33Å; L94-L97 PolarHBondContact O-N 3.23Å; L95-L97 PolarHBondContact O-N 3.48Å; L97-F133 VanDerWaalsContact O-CZ 3.29Å; L97-F133 WeakPolarHBondContact O-CZ 3.49Å
98N98.1Very high98.4Very high57 Ų5721.3 Ų21.331%0.30512%0.118SC..  trans-143.984.5-178.3-177.112.1000110.4L65 L94 D100 F101L65-N98 HydrophobicContact CD1-CB 4.22Å; L94-N98 PolarHBondContact O-N 3.11Å; N98-D100 PolarHBondContact O-N 3.04Å; N98-D100 PolarHBondContact OD1-N 3.49Å; N98-F101 PolarHBondContact O-N 3.48Å
99P98.2Very high98.4Very high1 Ų121.4 Ų21.41%0.00612%0.116CC..THydrogen-bonded Turntrans-74.5-10.1-177.730-35.8000114.3L95 F101 W105 A129 F133 T139L95-P99 WeakPolarHBondContact O-CB 3.5Å; P99-F101 PolarHBondContact O-N 3.48Å; P99-W105 PolarHBondContact O-NE1 3.16Å; P99-A129 HydrophobicContact CB-CB 4.04Å; P99-F133 HydrophobicContact CG-CB 3.6Å; P99-F133 HydrophobicContact CG-CD1 4.22Å; P99-F133 HydrophobicContact CG-CD2 3.41Å; P99-F133 VanDerWaalsContact CG-CD2 3.41Å; P99-F133 HydrophobicContact CG-CE2 4.04Å; P99-F133 HydrophobicContact CG-CG 3.49Å; P99-F133 VanDerWaalsContact CG-CG 3.49Å; P99-T139 WeakPolarHBondContact CB-OG1 3.41Å
100D98.4Very high98.5Very high75 Ų7523.1 Ų23.140%0.40112%0.123SC..THydrogen-bonded Turntrans-84.310.6175.3-66.3-35.9000112.8N98 T102 S136 P137 E138N98-D100 PolarHBondContact O-N 3.04Å; N98-D100 PolarHBondContact OD1-N 3.49Å; D100-T102 PolarHBondContact O-N 3.39Å; D100-S136 WeakPolarHBondContact OD1-CA 3.25Å; D100-S136 VanDerWaalsContact OD1-CB 3.31Å; D100-S136 WeakPolarHBondContact OD1-CB 3.37Å; D100-S136 PolarHBondContact OD1-OG 3.44Å; D100-P137 VanDerWaalsContact OD1-CD 3.3Å; D100-P137 WeakPolarHBondContact OD1-CD 3.37Å; D100-E138 HydrophobicContact CB-CG 4.47Å
101F98.5Very high98.5Very high30 Ų3023.3 Ų23.313%0.13212%0.123CC..  trans-86.686.6174.8-168.2-135000112.3H69 L72 L73 L94 N98 P99 T103 A104H69-F101 AromaticContact CD2-CE1 3.77Å; H69-F101 AromaticContact CD2-CE2 3.99Å; H69-F101 AromaticContact CD2-CZ 3.59Å; H69-F101 AromaticContact NE2-CE2 3.72Å; H69-F101 AromaticContact NE2-CZ 3.58Å; L72-F101 HydrophobicContact CD2-CD1 4.42Å; L72-F101 HydrophobicContact CD2-CE1 3.89Å; L73-F101 HydrophobicContact CD2-CZ 4.03Å; L94-F101 HydrophobicContact CD1-CD1 4.32Å; L94-F101 HydrophobicContact CD2-CD1 3.36Å; L94-F101 HydrophobicContact CD2-CE1 3.53Å; L94-F101 HydrophobicContact CG-CD1 3.88Å; L94-F101 HydrophobicContact CG-CE1 4.5Å; N98-F101 PolarHBondContact O-N 3.48Å; P99-F101 PolarHBondContact O-N 3.48Å; F101-T103 PolarHBondContact O-N 2.89Å; F101-T103 VanDerWaalsContact O-N 3.11Å; F101-A104 HydrophobicContact CD1-CB 3.73Å; F101-A104 HydrophobicContact CE1-CB 4.43Å; F101-A104 WeakPolarHBondContact O-CB 3.48Å; F101-A104 PolarHBondContact O-N 3.02Å
102T98.6Very high98.5Very high54 Ų5423.5 Ų23.533%0.33113%0.125SC..Hα-helixtrans-48.4-40.9-177.7-50.50000113.9D100 A104 W105 N106 E138D100-T102 PolarHBondContact O-N 3.39Å; T102-A104 VanDerWaalsContact C-N 3.26Å; T102-A104 PolarHBondContact O-N 3.11Å; T102-W105 PolarHBondContact O-N 3.24Å; T102-N106 PolarHBondContact O-N 3.45Å; T102-E138 WeakPolarHBondContact CB-OE2 3.44Å; T102-E138 VanDerWaalsContact CG2-OE2 3.26Å; T102-E138 WeakPolarHBondContact CG2-OE2 3.35Å; T102-E138 PolarHBondContact OG1-OE2 3.38Å
103T98.6Very high98.4Very high45 Ų4529 Ų2928%0.27615%0.148SC..Hα-helixtrans-60.4-36.1-178.6-55.50000112.4R76 F101 N106 V107R76-T103 HydrophobicContact CG-CG2 3.76Å; F101-T103 PolarHBondContact O-N 2.89Å; F101-T103 VanDerWaalsContact O-N 3.11Å; T103-N106 PolarHBondContact O-N 2.98Å; T103-V107 WeakPolarHBondContact O-CG2 3.45Å; T103-V107 PolarHBondContact O-N 3.19Å
104A98.8Very high98.3Very high0 Ų032.1 Ų32.10%017%0.17CC..Hα-helixtrans-67.4-45.8175.900000111.6L72 T91 L94 L95 F101 T102 N106 V107 R108L72-A104 HydrophobicContact CD2-CB 3.71Å; T91-A104 HydrophobicContact CG2-CB 4.32Å; L94-A104 HydrophobicContact CD2-CB 4.18Å; L94-A104 HydrophobicContact CG-CB 4.42Å; L95-A104 HydrophobicContact CD1-CB 4.17Å; L95-A104 HydrophobicContact CD2-CB 3.76Å; L95-A104 HydrophobicContact CG-CB 3.86Å; F101-A104 HydrophobicContact CD1-CB 3.73Å; F101-A104 HydrophobicContact CE1-CB 4.43Å; F101-A104 WeakPolarHBondContact O-CB 3.48Å; F101-A104 PolarHBondContact O-N 3.02Å; T102-A104 VanDerWaalsContact C-N 3.26Å; T102-A104 PolarHBondContact O-N 3.11Å; A104-N106 VanDerWaalsContact C-N 3.28Å; A104-N106 PolarHBondContact O-N 3.46Å; A104-V107 PolarHBondContact O-N 3.34Å; A104-R108 WeakPolarHBondContact O-CG 3.28Å; A104-R108 PolarHBondContact O-N 3.39Å
105W98.8Very high98.1Very high0 Ų035.1 Ų35.10%020%0.201CC..Hα-helixtrans-57.8-40.8172.7-73.2126.4000112.3L95 P99 T102 V107 R108 K109 L125 T139 H142L95-W105 HydrophobicContact CB-CH2 4.42Å; L95-W105 HydrophobicContact CB-CZ2 4.26Å; L95-W105 HydrophobicContact CD1-CD2 3.65Å; L95-W105 HydrophobicContact CD1-CE3 3.47Å; L95-W105 VanDerWaalsContact CD1-CE3 3.47Å; L95-W105 HydrophobicContact CD1-CG 4.4Å; L95-W105 HydrophobicContact CD1-CH2 3.82Å; L95-W105 HydrophobicContact CD1-CZ2 3.97Å; L95-W105 HydrophobicContact CD1-CZ3 3.58Å; L95-W105 HydrophobicContact CD2-CD2 3.77Å; L95-W105 VanDerWaalsContact CD2-CE2 3.44Å; L95-W105 HydrophobicContact CD2-CE3 4.46Å; L95-W105 HydrophobicContact CD2-CG 3.99Å; L95-W105 HydrophobicContact CD2-CZ2 3.88Å; L95-W105 HydrophobicContact CG-CD2 4.33Å; L95-W105 HydrophobicContact CG-CH2 4.5Å; L95-W105 HydrophobicContact CG-CZ2 4.25Å; P99-W105 PolarHBondContact O-NE1 3.16Å; T102-W105 PolarHBondContact O-N 3.24Å; W105-V107 PolarHBondContact O-N 3.48Å; W105-R108 WeakPolarHBondContact O-CB 3.47Å; W105-R108 PolarHBondContact O-N 2.98Å; W105-R108 VanDerWaalsContact O-N 3.11Å; W105-K109 WeakPolarHBondContact O-CG 3.45Å; W105-K109 PolarHBondContact O-N 3.04Å; W105-L125 HydrophobicContact CH2-CD2 4.32Å; W105-L125 HydrophobicContact CH2-CG 4.28Å; W105-L125 HydrophobicContact CZ3-CD2 4.24Å; W105-T139 HydrophobicContact CZ2-CG2 4.17Å; W105-H142 HydrophobicContact CB-CB 4.15Å; W105-H142 HydrophobicContact CD2-CB 3.84Å; W105-H142 AromaticContact CD2-CD2 3.73Å; W105-H142 AromaticContact CD2-CG 3.58Å; W105-H142 HydrophobicContact CE3-CB 4.13Å; W105-H142 AromaticContact CE3-CD2 3.08Å; W105-H142 AromaticContact CE3-CE1 3.73Å; W105-H142 AromaticContact CE3-CG 3.39Å; W105-H142 AromaticContact CE3-ND1 3.82Å; W105-H142 AromaticContact CE3-NE2 3.3Å; W105-H142 VanDerWaalsContact CE3-NE2 3.3Å; W105-H142 HydrophobicContact CG-CB 3.86Å; W105-H142 AromaticContact CG-CG 3.82Å; W105-H142 AromaticContact CZ3-CD2 3.39Å; W105-H142 WeakPolarHBondContact CZ3-CD2 3.46Å; W105-H142 AromaticContact CZ3-NE2 3.68Å
106N98.8Very high97.9Very high61 Ų6136.5 Ų36.533%0.32621%0.213SC..Hα-helixtrans-65.7-36.7178.3-69.2-10.6000113.1R76 T102 T103 A104 R108 K109 E110R76-N106 VanDerWaalsContact NH2-C 3.34Å; T102-N106 PolarHBondContact O-N 3.45Å; T103-N106 PolarHBondContact O-N 2.98Å; A104-N106 VanDerWaalsContact C-N 3.28Å; A104-N106 PolarHBondContact O-N 3.46Å; N106-R108 PolarHBondContact O-N 3.41Å; N106-K109 WeakPolarHBondContact O-CB 3.47Å; N106-K109 PolarHBondContact O-N 2.85Å; N106-K109 PolarHBondContact OD1-NZ 3.01Å; N106-E110 PolarHBondContact O-N 2.87Å; N106-E110 VanDerWaalsContact O-N 3.16Å
107V98.8Very high97.9Very high0 Ų036.7 Ų36.70%021%0.214CC..Hα-helixtrans-60.5-40.3172171.20000110L72 Y75 L87 T91 T103 A104 W105 E110 L111L72-V107 HydrophobicContact CD1-CG2 4Å; Y75-V107 HydrophobicContact CE1-CG1 4.5Å; Y75-V107 HydrophobicContact CE1-CG2 4.26Å; L87-V107 HydrophobicContact CB-CG1 4.43Å; L87-V107 HydrophobicContact CD2-CG1 4.2Å; T91-V107 HydrophobicContact CG2-CB 4.03Å; T91-V107 HydrophobicContact CG2-CG1 3.91Å; T103-V107 WeakPolarHBondContact O-CG2 3.45Å; T103-V107 PolarHBondContact O-N 3.19Å; A104-V107 PolarHBondContact O-N 3.34Å; W105-V107 PolarHBondContact O-N 3.48Å; V107-E110 WeakPolarHBondContact O-CB 3.02Å; V107-E110 PolarHBondContact O-N 3.33Å; V107-L111 HydrophobicContact CG1-CD1 4.12Å; V107-L111 HydrophobicContact CG1-CG 4.46Å; V107-L111 WeakPolarHBondContact O-CG 3.29Å; V107-L111 PolarHBondContact O-N 3.3Å
108R98.8Very high97.8Very high7 Ų739.4 Ų39.43%0.02623%0.228CC..Hα-helixtrans-68.6-34.5179.5-60.8-176.972.383.40.3112.5V88 T91 A104 W105 N106 L111 L112 L117 D122 L125V88-R108 PolarHBondContact O-NH1 2.97Å; V88-R108 VanDerWaalsContact O-NH1 3.15Å; T91-R108 HydrophobicContact CG2-CG 4.28Å; T91-R108 WeakPolarHBondContact OG1-CG 3.36Å; T91-R108 PolarHBondContact OG1-NH1 3.24Å; A104-R108 WeakPolarHBondContact O-CG 3.28Å; A104-R108 PolarHBondContact O-N 3.39Å; W105-R108 WeakPolarHBondContact O-CB 3.47Å; W105-R108 PolarHBondContact O-N 2.98Å; W105-R108 VanDerWaalsContact O-N 3.11Å; N106-R108 PolarHBondContact O-N 3.41Å; R108-L111 PolarHBondContact O-N 3.18Å; R108-L112 VanDerWaalsContact O-CG 3.27Å; R108-L112 WeakPolarHBondContact O-CG 3.39Å; R108-L112 PolarHBondContact O-N 3.31Å; R108-L117 HydrophobicContact CB-CD2 4.1Å; R108-L117 HydrophobicContact CG-CD2 4.48Å; R108-D122 IonicContact CZ-OD1 3.13Å; R108-D122 IonicContact NE-OD1 2.66Å; R108-D122 PolarHBondContact NE-OD1 3.09Å; R108-D122 IonicContact NH2-OD1 2.72Å; R108-D122 PolarHBondContact NH2-OD1 3.42Å; R108-L125 VanDerWaalsContact CZ-CD2 3.45Å
109K98.8Very high97.7Very high28 Ų2837.7 Ų37.712%0.12222%0.22CC..Hα-helixtrans-58.2-47.5169.9-63.2-177.2-173.873.40111.6W105 N106 L111 L112 E113 H142 W145W105-K109 WeakPolarHBondContact O-CG 3.45Å; W105-K109 PolarHBondContact O-N 3.04Å; N106-K109 WeakPolarHBondContact O-CB 3.47Å; N106-K109 PolarHBondContact O-N 2.85Å; N106-K109 PolarHBondContact OD1-NZ 3.01Å; K109-L111 VanDerWaalsContact C-N 3.3Å; K109-L111 PolarHBondContact O-N 2.94Å; K109-L112 WeakPolarHBondContact O-CB 3.37Å; K109-L112 PolarHBondContact O-N 2.98Å; K109-L112 VanDerWaalsContact O-N 3.14Å; K109-E113 WeakPolarHBondContact O-CG 3.23Å; K109-E113 PolarHBondContact O-N 3.31Å; K109-H142 WeakPolarHBondContact CE-ND1 3.45Å; K109-H142 PolarHBondContact NZ-ND1 3.32Å; K109-W145 HydrophobicContact CB-CD2 4.48Å; K109-W145 HydrophobicContact CB-CE3 4.31Å; K109-W145 HydrophobicContact CB-CH2 3.72Å; K109-W145 HydrophobicContact CB-CZ2 3.86Å; K109-W145 HydrophobicContact CB-CZ3 3.96Å; K109-W145 HydrophobicContact CD-CD2 3.68Å; K109-W145 HydrophobicContact CD-CE3 4.1Å; K109-W145 HydrophobicContact CD-CG 3.94Å; K109-W145 HydrophobicContact CD-CZ2 4.23Å; K109-W145 HydrophobicContact CG-CD2 3.8Å; K109-W145 HydrophobicContact CG-CE3 3.68Å; K109-W145 HydrophobicContact CG-CG 4.5Å; K109-W145 HydrophobicContact CG-CH2 4.03Å; K109-W145 HydrophobicContact CG-CZ2 4.11Å; K109-W145 HydrophobicContact CG-CZ3 3.82Å
110E98.5Very high97.6Very high78 Ų7841.9 Ų41.936%0.36424%0.24SC..Hα-helixtrans-61.1-39.2176.4-67.3160.9-150.800111.8R76 N106 V107 E113 C114R76-E110 IonicContact CZ-OE1 3.2Å; R76-E110 IonicContact CZ-OE2 3.7Å; R76-E110 VanDerWaalsContact NH1-CD 3.29Å; R76-E110 IonicContact NH1-OE1 2.71Å; R76-E110 PolarHBondContact NH1-OE1 3.48Å; R76-E110 IonicContact NH1-OE2 3.03Å; R76-E110 PolarHBondContact NH1-OE2 2.89Å; R76-E110 IonicContact NH2-OE1 2.76Å; R76-E110 PolarHBondContact NH2-OE1 2.75Å; R76-E110 IonicContact NH2-OE2 3.63Å; N106-E110 PolarHBondContact O-N 2.87Å; N106-E110 VanDerWaalsContact O-N 3.16Å; V107-E110 WeakPolarHBondContact O-CB 3.02Å; V107-E110 PolarHBondContact O-N 3.33Å; E110-E113 PolarHBondContact O-N 3.01Å; E110-C114 PolarHBondContact O-N 2.87Å; E110-C114 VanDerWaalsContact O-N 3.11Å; E110-C114 PolarHBondContact O-SG 2.91Å
111L98.4Very high97.5Very high8 Ų847.2 Ų47.24%0.04225%0.254CS..Hα-helixtrans-66.2-36.7175.3-67.4170.1000112.6R84 L87 V88 V107 R108 K109 C114 G115 A116 L117R84-L111 HydrophobicContact CB-CD2 4.43Å; R84-L111 HydrophobicContact CG-CD2 4.38Å; L87-L111 HydrophobicContact CB-CD1 4.1Å; L87-L111 HydrophobicContact CD1-CD2 4.45Å; V88-L111 HydrophobicContact CG2-CD1 3.88Å; V107-L111 HydrophobicContact CG1-CD1 4.12Å; V107-L111 HydrophobicContact CG1-CG 4.46Å; V107-L111 WeakPolarHBondContact O-CG 3.29Å; V107-L111 PolarHBondContact O-N 3.3Å; R108-L111 PolarHBondContact O-N 3.18Å; K109-L111 VanDerWaalsContact C-N 3.3Å; K109-L111 PolarHBondContact O-N 2.94Å; L111-C114 PolarHBondContact O-SG 3.44Å; L111-G115 PolarHBondContact O-N 2.84Å; L111-A116 HydrophobicContact CB-CB 4.45Å; L111-A116 HydrophobicContact CD2-CB 4.02Å; L111-A116 PolarHBondContact O-N 3.41Å; L111-L117 HydrophobicContact CB-CB 3.86Å; L111-L117 HydrophobicContact CB-CD2 4.4Å; L111-L117 PolarHBondContact O-N 2.79Å; L111-L117 VanDerWaalsContact O-N 3.14Å
112L97.9Very high97.4Very high5 Ų545.8 Ų45.83%0.02625%0.248CC..Hα-helixtrans-66.6-45.7174.3-71.2161.6000111R108 K109 C114 G115 L117 P119 D122 W145 V146R108-L112 VanDerWaalsContact O-CG 3.27Å; R108-L112 WeakPolarHBondContact O-CG 3.39Å; R108-L112 PolarHBondContact O-N 3.31Å; K109-L112 WeakPolarHBondContact O-CB 3.37Å; K109-L112 PolarHBondContact O-N 2.98Å; K109-L112 VanDerWaalsContact O-N 3.14Å; L112-C114 VanDerWaalsContact C-N 3.35Å; L112-C114 PolarHBondContact O-N 3.49Å; L112-G115 PolarHBondContact O-N 3.15Å; L112-L117 HydrophobicContact CD2-CB 4.1Å; L112-L117 HydrophobicContact CD2-CD2 4.24Å; L112-L117 HydrophobicContact CD2-CG 3.94Å; L112-L117 WeakPolarHBondContact CD2-O 3.32Å; L112-L117 HydrophobicContact CG-CB 4.25Å; L112-L117 HydrophobicContact CG-CD2 4.09Å; L112-L117 HydrophobicContact CG-CG 4.25Å; L112-P119 HydrophobicContact CD2-CB 4.21Å; L112-P119 HydrophobicContact CD2-CG 3.95Å; L112-D122 HydrophobicContact CD1-CB 4.32Å; L112-D122 HydrophobicContact CD2-CB 4.37Å; L112-W145 HydrophobicContact CB-CH2 4.29Å; L112-W145 HydrophobicContact CB-CZ3 4.17Å; L112-W145 HydrophobicContact CD1-CE3 4.47Å; L112-W145 HydrophobicContact CD1-CZ3 3.68Å; L112-V146 HydrophobicContact CD1-CG2 3.94Å
113E96.5Very high97.4Very high129 Ų12943.6 Ų43.660%0.60323%0.234SC*.Hα-helixtrans-62.7-38.2-179.7-73.1176.8158.800113K109 E110 G115 W145K109-E113 WeakPolarHBondContact O-CG 3.23Å; K109-E113 PolarHBondContact O-N 3.31Å; E110-E113 PolarHBondContact O-N 3.01Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 2.9Å; E113-W145 HydrophobicContact CG-CH2 3.97Å; E113-W145 HydrophobicContact CG-CZ2 4.11Å
114C95.4Very high97.4Very high66 Ų6644.4 Ų44.445%0.44623%0.233SC..THydrogen-bonded Turntrans-85.16.8175.771.10000114.2E110 L111 L112 A116E110-C114 PolarHBondContact O-N 2.87Å; E110-C114 VanDerWaalsContact O-N 3.11Å; E110-C114 PolarHBondContact O-SG 2.91Å; L111-C114 PolarHBondContact O-SG 3.44Å; L112-C114 VanDerWaalsContact C-N 3.35Å; L112-C114 PolarHBondContact O-N 3.49Å; C114-A116 PolarHBondContact O-N 3.38Å
115G94.8Very high97.4Very high64 Ų6444.8 Ų44.866%0.6623%0.234SC*.THydrogen-bonded Turntrans70.811.8177.900000114.9L111 L112 E113 L117L111-G115 PolarHBondContact O-N 2.84Å; L112-G115 PolarHBondContact O-N 3.15Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 2.9Å; G115-L117 VanDerWaalsContact C-N 3.33Å
116A96.1Very high97.4Very high29 Ų2944.8 Ų44.824%0.2423%0.234CC..SBendtrans-78.8-17.7178.400000113.1R84 L111 C114R84-A116 HydrophobicContact CB-CB 4.49Å; R84-A116 HydrophobicContact CG-CB 4.37Å; L111-A116 HydrophobicContact CB-CB 4.45Å; L111-A116 HydrophobicContact CD2-CB 4.02Å; L111-A116 PolarHBondContact O-N 3.41Å; C114-A116 PolarHBondContact O-N 3.38Å
117L96.8Very high97.4Very high15 Ų1544.7 Ų44.78%0.07923%0.231CC..SBendtrans-126.9141.6178.7-178.760000110.2V88 R108 L111 L112 G115 D122V88-L117 HydrophobicContact CG1-CD1 4.43Å; V88-L117 HydrophobicContact CG2-CD1 4.3Å; R108-L117 HydrophobicContact CB-CD2 4.1Å; R108-L117 HydrophobicContact CG-CD2 4.48Å; L111-L117 HydrophobicContact CB-CB 3.86Å; L111-L117 HydrophobicContact CB-CD2 4.4Å; L111-L117 PolarHBondContact O-N 2.79Å; L111-L117 VanDerWaalsContact O-N 3.14Å; L112-L117 HydrophobicContact CD2-CB 4.1Å; L112-L117 HydrophobicContact CD2-CD2 4.24Å; L112-L117 HydrophobicContact CD2-CG 3.94Å; L112-L117 WeakPolarHBondContact CD2-O 3.32Å; L112-L117 HydrophobicContact CG-CB 4.25Å; L112-L117 HydrophobicContact CG-CD2 4.09Å; L112-L117 HydrophobicContact CG-CG 4.25Å; G115-L117 VanDerWaalsContact C-N 3.33Å; L117-D122 HydrophobicContact CD2-CB 4.35Å; L117-D122 WeakPolarHBondContact CD2-OD1 3.38Å
118N95.4Very high97.3Very high76 Ų7644.8 Ų44.841%0.40623%0.231SC..  trans-85.2131176.3178.7-56.1000110.3E120 R121 D122N118-E120 PolarHBondContact O-N 2.69Å; N118-E120 WeakPolarHBondContact OD1-CA 3.35Å; N118-E120 WeakPolarHBondContact OD1-CB 3.46Å; N118-E120 PolarHBondContact OD1-N 3.34Å; N118-R121 HydrophobicContact CB-CB 4.36Å; N118-R121 HydrophobicContact CB-CG 4.12Å; N118-R121 WeakPolarHBondContact O-CB 3.28Å; N118-R121 PolarHBondContact O-N 3.1Å; N118-R121 PolarHBondContact OD1-N 2.62Å; N118-D122 PolarHBondContact O-N 3.16Å
119P97.1Very high97.3Very high20 Ų2044.4 Ų44.413%0.1323%0.23CC..Hα-helixtrans-56.8-39.9178.5-25.833.6000115.1L112 R121 D122 L123 V146 I150L112-P119 HydrophobicContact CD2-CB 4.21Å; L112-P119 HydrophobicContact CD2-CG 3.95Å; P119-R121 VanDerWaalsContact C-N 3.34Å; P119-R121 PolarHBondContact O-N 2.98Å; P119-D122 WeakPolarHBondContact O-CB 3.5Å; P119-D122 PolarHBondContact O-N 3.04Å; P119-D122 VanDerWaalsContact O-N 3.08Å; P119-L123 WeakPolarHBondContact O-CG 3.49Å; P119-L123 PolarHBondContact O-N 3.35Å; P119-V146 HydrophobicContact CB-CG1 4.03Å; P119-I150 HydrophobicContact CB-CD1 3.77Å; P119-I150 HydrophobicContact CB-CG1 3.69Å; P119-I150 HydrophobicContact CG-CG1 4.27Å
120E95.4Very high97.3Very high90 Ų9043.3 Ų43.342%0.42123%0.226SC..Hα-helixtrans-65.6-37.2179.2-60.8-168.5149.800111.7N118 D122 L123 Y124 R184N118-E120 PolarHBondContact O-N 2.69Å; N118-E120 WeakPolarHBondContact OD1-CA 3.35Å; N118-E120 WeakPolarHBondContact OD1-CB 3.46Å; N118-E120 PolarHBondContact OD1-N 3.34Å; E120-D122 PolarHBondContact O-N 2.72Å; E120-L123 PolarHBondContact O-N 2.93Å; E120-Y124 WeakPolarHBondContact O-CB 3.33Å; E120-Y124 PolarHBondContact O-N 3.18Å; E120-R184 IonicContact OE1-CZ 2.69Å; E120-R184 IonicContact OE1-NH1 3.43Å; E120-R184 PolarHBondContact OE1-NH1 2.89Å; E120-R184 IonicContact OE1-NH2 3.64Å; E120-R184 PolarHBondContact OE1-NH2 2.89Å
121R95.7Very high97.3Very high186 Ų18640.5 Ų40.570%0.70221%0.213SC*.Hα-helixtrans-63.4-32.3173.3-70.2-1721761770.3111.7N118 P119 Y124 L125N118-R121 HydrophobicContact CB-CB 4.36Å; N118-R121 HydrophobicContact CB-CG 4.12Å; N118-R121 WeakPolarHBondContact O-CB 3.28Å; N118-R121 PolarHBondContact O-N 3.1Å; N118-R121 PolarHBondContact OD1-N 2.62Å; P119-R121 VanDerWaalsContact C-N 3.34Å; P119-R121 PolarHBondContact O-N 2.98Å; R121-Y124 PolarHBondContact O-N 3.44Å; R121-L125 PolarHBondContact O-N 3.35Å
122D97.9Very high97.3Very high0 Ų043.2 Ų43.20%023%0.225CC..Hα-helixtrans-80.2-35.9-179.7-145.451.8000113R108 L112 L117 N118 P119 E120 Y124 L125 S126 H142R108-D122 IonicContact CZ-OD1 3.13Å; R108-D122 IonicContact NE-OD1 2.66Å; R108-D122 PolarHBondContact NE-OD1 3.09Å; R108-D122 IonicContact NH2-OD1 2.72Å; R108-D122 PolarHBondContact NH2-OD1 3.42Å; L112-D122 HydrophobicContact CD1-CB 4.32Å; L112-D122 HydrophobicContact CD2-CB 4.37Å; L117-D122 HydrophobicContact CD2-CB 4.35Å; L117-D122 WeakPolarHBondContact CD2-OD1 3.38Å; N118-D122 PolarHBondContact O-N 3.16Å; P119-D122 WeakPolarHBondContact O-CB 3.5Å; P119-D122 PolarHBondContact O-N 3.04Å; P119-D122 VanDerWaalsContact O-N 3.08Å; E120-D122 PolarHBondContact O-N 2.72Å; D122-Y124 VanDerWaalsContact C-N 3.25Å; D122-Y124 PolarHBondContact O-N 2.95Å; D122-L125 PolarHBondContact O-N 3.22Å; D122-S126 PolarHBondContact O-N 2.75Å; D122-S126 PolarHBondContact O-OG 3.03Å; D122-H142 IonicContact OD2-CD2 3.66Å; D122-H142 IonicContact OD2-CE1 3.55Å; D122-H142 IonicContact OD2-NE2 2.65Å; D122-H142 PolarHBondContact OD2-NE2 3.41Å
123L98.5Very high97.3Very high9 Ų945.8 Ų45.85%0.04724%0.236CC..Hα-helixtrans-62-34.9166-68.2179.3000111.5P119 E120 S126 K127 R143 V146 L147 I150 L185P119-L123 WeakPolarHBondContact O-CG 3.49Å; P119-L123 PolarHBondContact O-N 3.35Å; E120-L123 PolarHBondContact O-N 2.93Å; L123-S126 WeakPolarHBondContact CA-OG 3.48Å; L123-S126 PolarHBondContact O-OG 3.41Å; L123-K127 WeakPolarHBondContact O-CB 3.46Å; L123-K127 PolarHBondContact O-N 3.48Å; L123-R143 HydrophobicContact CD2-CG 3.77Å; L123-R143 PolarHBondContact O-NH1 3.49Å; L123-V146 HydrophobicContact CD2-CB 4.02Å; L123-V146 HydrophobicContact CD2-CG1 3.77Å; L123-V146 HydrophobicContact CG-CG1 3.84Å; L123-L147 HydrophobicContact CD1-CD2 4.06Å; L123-L147 HydrophobicContact CD2-CD2 4.22Å; L123-L147 HydrophobicContact CD2-CG 4.31Å; L123-I150 HydrophobicContact CD1-CD1 3.8Å; L123-L185 HydrophobicContact CD1-CD2 4.33Å
124Y98.2Very high97.4Very high62 Ų6240.4 Ų40.424%0.24321%0.212CC..Hα-helixtrans-68.7-45.3174.7176.3-110.6000112.4F23 P27 I29 E120 R121 D122 S126 K127 L128F23-Y124 AromaticContact CD1-CE1 3.95Å; F23-Y124 HydrophobicContact CD1-CE1 3.95Å; F23-Y124 HydrophobicContact CE1-CE1 4.03Å; P27-Y124 PolarHBondContact O-OH 3.1Å; I29-Y124 WeakPolarHBondContact CA-OH 3.47Å; I29-Y124 WeakPolarHBondContact CB-OH 3.35Å; I29-Y124 PolarHBondContact N-OH 3.39Å; I29-Y124 WeakPolarHBondContact O-CE2 3.48Å; I29-Y124 PolarHBondContact O-OH 2.89Å; E120-Y124 WeakPolarHBondContact O-CB 3.33Å; E120-Y124 PolarHBondContact O-N 3.18Å; R121-Y124 PolarHBondContact O-N 3.44Å; D122-Y124 VanDerWaalsContact C-N 3.25Å; D122-Y124 PolarHBondContact O-N 2.95Å; Y124-S126 PolarHBondContact O-N 3.46Å; Y124-K127 WeakPolarHBondContact O-CB 3.4Å; Y124-K127 PolarHBondContact O-N 3.49Å; Y124-L128 HydrophobicContact CD1-CD1 4.18Å; Y124-L128 HydrophobicContact CE1-CD1 3.6Å; Y124-L128 HydrophobicContact CE1-CG 4.43Å; Y124-L128 HydrophobicContact CE2-CD1 4.22Å; Y124-L128 HydrophobicContact CE2-CD2 4.44Å; Y124-L128 HydrophobicContact CE2-CG 4.24Å; Y124-L128 PolarHBondContact O-N 3.47Å
125L98.5Very high97.5Very high7 Ų741.3 Ų41.34%0.03721%0.209CC..Hα-helixtrans-58.4-47.3174.9175.762.3000111.9C92 L95 L96 W105 R108 R121 D122 K127 L128 A129C92-L125 HydrophobicContact CB-CD2 4.47Å; L95-L125 HydrophobicContact CB-CD2 4.45Å; L95-L125 HydrophobicContact CD1-CD2 4.09Å; L96-L125 HydrophobicContact CD2-CD1 3.62Å; L96-L125 HydrophobicContact CG-CD1 3.93Å; W105-L125 HydrophobicContact CH2-CD2 4.32Å; W105-L125 HydrophobicContact CH2-CG 4.28Å; W105-L125 HydrophobicContact CZ3-CD2 4.24Å; R108-L125 VanDerWaalsContact CZ-CD2 3.45Å; R121-L125 PolarHBondContact O-N 3.35Å; D122-L125 PolarHBondContact O-N 3.22Å; L125-K127 VanDerWaalsContact C-N 3.33Å; L125-K127 PolarHBondContact O-N 3Å; L125-L128 PolarHBondContact O-N 3.36Å; L125-A129 PolarHBondContact O-N 3.31Å
126S98.4Very high97.7Very high0 Ų038.4 Ų38.40%018%0.179CC..Hα-helixtrans-64.3-36.9177.753.40000112.3D122 L123 Y124 L128 A129 L130 R143D122-S126 PolarHBondContact O-N 2.75Å; D122-S126 PolarHBondContact O-OG 3.03Å; L123-S126 WeakPolarHBondContact CA-OG 3.48Å; L123-S126 PolarHBondContact O-OG 3.41Å; Y124-S126 PolarHBondContact O-N 3.46Å; S126-L128 VanDerWaalsContact C-N 3.34Å; S126-L128 PolarHBondContact O-N 2.92Å; S126-A129 PolarHBondContact O-N 2.93Å; S126-L130 VanDerWaalsContact O-CG 3.28Å; S126-L130 WeakPolarHBondContact O-CG 3.44Å; S126-L130 PolarHBondContact O-N 2.91Å; S126-R143 PolarHBondContact OG-NH1 2.77Å
127K98.6Very high97.8Very high60 Ų6039.8 Ų39.826%0.26119%0.185SC..Hα-helixtrans-58.3-45.5172.2174.6-177.4177.5-1650111.5L123 Y124 L125 L130 T131 V192L123-K127 WeakPolarHBondContact O-CB 3.46Å; L123-K127 PolarHBondContact O-N 3.48Å; Y124-K127 WeakPolarHBondContact O-CB 3.4Å; Y124-K127 PolarHBondContact O-N 3.49Å; L125-K127 VanDerWaalsContact C-N 3.33Å; L125-K127 PolarHBondContact O-N 3Å; K127-L130 PolarHBondContact O-N 3.34Å; K127-T131 WeakPolarHBondContact O-CG2 3.43Å; K127-T131 PolarHBondContact O-N 3.43Å; K127-V192 HydrophobicContact CB-CG2 4.27Å; K127-V192 HydrophobicContact CD-CG2 3.93Å; K127-V192 HydrophobicContact CG-CG2 3.88Å
128L98.5Very high97.9Very high1 Ų141.2 Ų41.21%0.00519%0.191CC..Hα-helixtrans-65.1-42.7177.8-71.7177.1000112.4F23 I29 I32 L96 Y124 L125 S126 L130 T131F23-L128 HydrophobicContact CD1-CD1 4.41Å; F23-L128 HydrophobicContact CE1-CD1 3.32Å; F23-L128 HydrophobicContact CZ-CD1 3.7Å; I29-L128 HydrophobicContact CG2-CD1 4.42Å; I29-L128 HydrophobicContact CG2-CD2 3.99Å; I32-L128 HydrophobicContact CG2-CB 4.19Å; I32-L128 HydrophobicContact CG2-CD2 4.37Å; L96-L128 HydrophobicContact CD2-CB 4.26Å; Y124-L128 HydrophobicContact CD1-CD1 4.18Å; Y124-L128 HydrophobicContact CE1-CD1 3.6Å; Y124-L128 HydrophobicContact CE1-CG 4.43Å; Y124-L128 HydrophobicContact CE2-CD1 4.22Å; Y124-L128 HydrophobicContact CE2-CD2 4.44Å; Y124-L128 HydrophobicContact CE2-CG 4.24Å; Y124-L128 PolarHBondContact O-N 3.47Å; L125-L128 PolarHBondContact O-N 3.36Å; S126-L128 VanDerWaalsContact C-N 3.34Å; S126-L128 PolarHBondContact O-N 2.92Å; L128-L130 PolarHBondContact O-N 3.18Å; L128-T131 PolarHBondContact O-N 2.96Å; L128-T131 VanDerWaalsContact O-N 3.08Å; L128-T131 PolarHBondContact O-OG1 3.44Å
129A98.5Very high98Very high0 Ų037.6 Ų37.60%017%0.172CC..Hα-helixtrans-57.4-40.2175.100000111.7P99 L125 S126 T131 K132 F133 T139P99-A129 HydrophobicContact CB-CB 4.04Å; L125-A129 PolarHBondContact O-N 3.31Å; S126-A129 PolarHBondContact O-N 2.93Å; A129-T131 PolarHBondContact O-N 3.06Å; A129-K132 PolarHBondContact O-N 3.24Å; A129-F133 PolarHBondContact O-N 3.39Å; A129-T139 HydrophobicContact CB-CG2 4.42Å
130L98.8Very high98.1Very high5 Ų536.7 Ų36.73%0.02617%0.166CC..Hα-helixtrans-67.7-17.4178.3-69168.7000114.1S126 K127 L128 K132 P134 T139 W140 V192S126-L130 VanDerWaalsContact O-CG 3.28Å; S126-L130 WeakPolarHBondContact O-CG 3.44Å; S126-L130 PolarHBondContact O-N 2.91Å; K127-L130 PolarHBondContact O-N 3.34Å; L128-L130 PolarHBondContact O-N 3.18Å; L130-K132 VanDerWaalsContact C-N 3.28Å; L130-K132 PolarHBondContact O-N 2.81Å; L130-P134 VanDerWaalsContact O-CA 3.24Å; L130-P134 WeakPolarHBondContact O-CA 3.32Å; L130-P134 WeakPolarHBondContact O-CB 3.37Å; L130-T139 HydrophobicContact CD1-CG2 4.15Å; L130-T139 HydrophobicContact CD2-CG2 3.86Å; L130-T139 HydrophobicContact CG-CG2 3.7Å; L130-W140 HydrophobicContact CD1-CD2 4.23Å; L130-W140 HydrophobicContact CD1-CE3 4.08Å; L130-W140 HydrophobicContact CD1-CH2 3.46Å; L130-W140 VanDerWaalsContact CD1-CH2 3.46Å; L130-W140 HydrophobicContact CD1-CZ2 3.58Å; L130-W140 HydrophobicContact CD1-CZ3 3.71Å; L130-W140 HydrophobicContact CD2-CD2 4.15Å; L130-W140 VanDerWaalsContact CD2-CE2 3.46Å; L130-W140 HydrophobicContact CD2-CH2 4.37Å; L130-W140 HydrophobicContact CD2-CZ2 3.6Å; L130-W140 HydrophobicContact CG-CH2 4.5Å; L130-W140 HydrophobicContact CG-CZ2 4.16Å; L130-V192 HydrophobicContact CD1-CG1 3.65Å
131T98.4Very high98.3Very high18 Ų1836 Ų3611%0.1116%0.164CC..Hα-helixtrans-70.7-29175.274.40000112.2D30 E31 I32 K127 L128 A129 R199D30-T131 WeakPolarHBondContact O-CG2 3.41Å; E31-T131 HydrophobicContact CB-CG2 4.33Å; I32-T131 PolarHBondContact N-OG1 3.07Å; I32-T131 VanDerWaalsContact N-OG1 3.14Å; K127-T131 WeakPolarHBondContact O-CG2 3.43Å; K127-T131 PolarHBondContact O-N 3.43Å; L128-T131 PolarHBondContact O-N 2.96Å; L128-T131 VanDerWaalsContact O-N 3.08Å; L128-T131 PolarHBondContact O-OG1 3.44Å; A129-T131 PolarHBondContact O-N 3.06Å; T131-R199 WeakPolarHBondContact O-CD 3.44Å; T131-R199 PolarHBondContact O-NE 3.16Å
132K97.8Very high98.4Very high66 Ų6627.1 Ų27.129%0.28713%0.131SC..Hα-helixtrans-101.1-32.8176.9-177174.5174.3-172.70112.7I32 A129 L130 P134I32-K132 HydrophobicContact CD1-CB 4.24Å; I32-K132 HydrophobicContact CD1-CD 4.5Å; I32-K132 HydrophobicContact CG1-CB 3.87Å; I32-K132 HydrophobicContact CG1-CD 4.33Å; A129-K132 PolarHBondContact O-N 3.24Å; L130-K132 VanDerWaalsContact C-N 3.28Å; L130-K132 PolarHBondContact O-N 2.81Å; K132-P134 VanDerWaalsContact C-CD 3.42Å; K132-P134 WeakPolarHBondContact O-CD 3.48Å
133F98.3Very high98.5Very high58 Ų5827.4 Ų27.425%0.25413%0.132SC..  trans-124.563.3-176.5-53.5-83.2000111.1L97 P99 A129 K135 S136L97-F133 VanDerWaalsContact O-CZ 3.29Å; L97-F133 WeakPolarHBondContact O-CZ 3.49Å; P99-F133 HydrophobicContact CG-CB 3.6Å; P99-F133 HydrophobicContact CG-CD1 4.22Å; P99-F133 HydrophobicContact CG-CD2 3.41Å; P99-F133 VanDerWaalsContact CG-CD2 3.41Å; P99-F133 HydrophobicContact CG-CE2 4.04Å; P99-F133 HydrophobicContact CG-CG 3.49Å; P99-F133 VanDerWaalsContact CG-CG 3.49Å; A129-F133 PolarHBondContact O-N 3.39Å; F133-K135 PolarHBondContact O-N 3.32Å; F133-S136 WeakPolarHBondContact O-CB 3.36Å; F133-S136 PolarHBondContact O-N 2.98Å
134P98.3Very high98.5Very high16 Ų1629.6 Ų29.610%0.10414%0.14CC..THydrogen-bonded Turntrans-62-19.8-171.125.9-36.9000114.1L130 K132 W140 A196 R199 N203L130-P134 VanDerWaalsContact O-CA 3.24Å; L130-P134 WeakPolarHBondContact O-CA 3.32Å; L130-P134 WeakPolarHBondContact O-CB 3.37Å; K132-P134 VanDerWaalsContact C-CD 3.42Å; K132-P134 WeakPolarHBondContact O-CD 3.48Å; P134-W140 PolarHBondContact O-NE1 3.1Å; P134-W140 VanDerWaalsContact O-NE1 3.15Å; P134-A196 HydrophobicContact CB-CB 4.1Å; P134-R199 HydrophobicContact CB-CB 4.05Å; P134-R199 HydrophobicContact CG-CB 3.96Å; P134-N203 PolarHBondContact O-ND2 3.26Å
135K97.4Very high98.5Very high85 Ų8528.9 Ų28.937%0.3714%0.136SC..THydrogen-bonded Turntrans-95.6-5.3177.9-64.2-173.295.9175.10115.1F133 P137 Y200 N205F133-K135 PolarHBondContact O-N 3.32Å; K135-P137 WeakPolarHBondContact O-CD 3.04Å; K135-Y200 HydrophobicContact CD-CD1 3.53Å; K135-Y200 HydrophobicContact CD-CD2 3.82Å; K135-Y200 HydrophobicContact CD-CE1 3.33Å; K135-Y200 HydrophobicContact CD-CE2 3.63Å; K135-Y200 HydrophobicContact CD-CG 3.77Å; K135-Y200 HydrophobicContact CG-CD1 3.74Å; K135-Y200 HydrophobicContact CG-CD2 4.06Å; K135-Y200 HydrophobicContact CG-CE1 4.1Å; K135-Y200 HydrophobicContact CG-CE2 4.38Å; K135-Y200 HydrophobicContact CG-CG 3.72Å; K135-Y200 VanDerWaalsContact NZ-CZ 3.32Å; K135-Y200 PolarHBondContact NZ-OH 2.87Å; K135-N205 PolarHBondContact O-ND2 3.07Å
136S98.5Very high98.5Very high4 Ų428.5 Ų28.53%0.02814%0.135CC..  trans-52.8109-172.5168.20000111.1D100 F133 E138 T139 W140D100-S136 WeakPolarHBondContact OD1-CA 3.25Å; D100-S136 VanDerWaalsContact OD1-CB 3.31Å; D100-S136 WeakPolarHBondContact OD1-CB 3.37Å; D100-S136 PolarHBondContact OD1-OG 3.44Å; F133-S136 WeakPolarHBondContact O-CB 3.36Å; F133-S136 PolarHBondContact O-N 2.98Å; S136-E138 VanDerWaalsContact C-N 3.33Å; S136-E138 PolarHBondContact O-N 3.33Å; S136-T139 WeakPolarHBondContact CB-OG1 3.41Å; S136-T139 PolarHBondContact O-N 2.92Å; S136-T139 WeakPolarHBondContact OG-CB 3.4Å; S136-T139 PolarHBondContact OG-N 3.25Å; S136-T139 PolarHBondContact OG-OG1 3.29Å; S136-W140 PolarHBondContact O-N 3.46Å
137P98.5Very high98.5Very high58 Ų5828.6 Ų28.638%0.37714%0.135SC..Hα-helixtrans-62.5-42.3-176.6-22.333.8000111.7D100 K135 T139 W140 I141D100-P137 VanDerWaalsContact OD1-CD 3.3Å; D100-P137 WeakPolarHBondContact OD1-CD 3.37Å; K135-P137 WeakPolarHBondContact O-CD 3.04Å; P137-T139 VanDerWaalsContact C-N 3.29Å; P137-T139 PolarHBondContact O-N 3.08Å; P137-W140 PolarHBondContact O-N 3.2Å; P137-W140 VanDerWaalsContact O-N 3.17Å; P137-I141 VanDerWaalsContact O-CG1 3.28Å; P137-I141 WeakPolarHBondContact O-CG1 3.39Å; P137-I141 PolarHBondContact O-N 3.08Å
138E98.6Very high98.4Very high45 Ų4528.4 Ų28.421%0.2114%0.135CC..Hα-helixtrans-64.1-34.8-178.3-67.7-60.8122.700112.1D100 T102 S136 I141 H142D100-E138 HydrophobicContact CB-CG 4.47Å; T102-E138 WeakPolarHBondContact CB-OE2 3.44Å; T102-E138 VanDerWaalsContact CG2-OE2 3.26Å; T102-E138 WeakPolarHBondContact CG2-OE2 3.35Å; T102-E138 PolarHBondContact OG1-OE2 3.38Å; S136-E138 VanDerWaalsContact C-N 3.33Å; S136-E138 PolarHBondContact O-N 3.33Å; E138-I141 PolarHBondContact O-N 3.46Å; E138-H142 WeakPolarHBondContact O-CB 3.45Å; E138-H142 PolarHBondContact O-N 3.04Å
139T98.8Very high98.3Very high0 Ų029.5 Ų29.50%014%0.14CC..Hα-helixtrans-62.4-45.4175-56.90000111.3P99 W105 A129 L130 S136 P137 R143P99-T139 WeakPolarHBondContact CB-OG1 3.41Å; W105-T139 HydrophobicContact CZ2-CG2 4.17Å; A129-T139 HydrophobicContact CB-CG2 4.42Å; L130-T139 HydrophobicContact CD1-CG2 4.15Å; L130-T139 HydrophobicContact CD2-CG2 3.86Å; L130-T139 HydrophobicContact CG-CG2 3.7Å; S136-T139 WeakPolarHBondContact CB-OG1 3.41Å; S136-T139 PolarHBondContact O-N 2.92Å; S136-T139 WeakPolarHBondContact OG-CB 3.4Å; S136-T139 PolarHBondContact OG-N 3.25Å; S136-T139 PolarHBondContact OG-OG1 3.29Å; P137-T139 VanDerWaalsContact C-N 3.29Å; P137-T139 PolarHBondContact O-N 3.08Å; T139-R143 VanDerWaalsContact O-CB 3.27Å; T139-R143 WeakPolarHBondContact O-CB 3.35Å; T139-R143 PolarHBondContact O-N 3.02Å
140W98.8Very high98.1Very high1 Ų130 Ų300%0.00414%0.143CC..Hα-helixtrans-68.6-41.6177.6-65.4112.5000112.3L130 P134 S136 P137 H142 R143 R144 V192 A196 N205 A206 H209L130-W140 HydrophobicContact CD1-CD2 4.23Å; L130-W140 HydrophobicContact CD1-CE3 4.08Å; L130-W140 HydrophobicContact CD1-CH2 3.46Å; L130-W140 VanDerWaalsContact CD1-CH2 3.46Å; L130-W140 HydrophobicContact CD1-CZ2 3.58Å; L130-W140 HydrophobicContact CD1-CZ3 3.71Å; L130-W140 HydrophobicContact CD2-CD2 4.15Å; L130-W140 VanDerWaalsContact CD2-CE2 3.46Å; L130-W140 HydrophobicContact CD2-CH2 4.37Å; L130-W140 HydrophobicContact CD2-CZ2 3.6Å; L130-W140 HydrophobicContact CG-CH2 4.5Å; L130-W140 HydrophobicContact CG-CZ2 4.16Å; P134-W140 PolarHBondContact O-NE1 3.1Å; P134-W140 VanDerWaalsContact O-NE1 3.15Å; S136-W140 PolarHBondContact O-N 3.46Å; P137-W140 PolarHBondContact O-N 3.2Å; P137-W140 VanDerWaalsContact O-N 3.17Å; W140-H142 VanDerWaalsContact C-N 3.33Å; W140-H142 PolarHBondContact O-N 3.14Å; W140-R143 PolarHBondContact O-N 3.17Å; W140-R144 WeakPolarHBondContact O-CG 3.3Å; W140-R144 PolarHBondContact O-N 2.91Å; W140-V192 HydrophobicContact CH2-CG1 3.92Å; W140-V192 HydrophobicContact CZ3-CG1 4.12Å; W140-A196 HydrophobicContact CH2-CB 4.03Å; W140-A196 HydrophobicContact CZ2-CB 3.6Å; W140-N205 VanDerWaalsContact CD1-CB 3.49Å; W140-N205 HydrophobicContact CG-CB 4.28Å; W140-A206 HydrophobicContact CH2-CB 4.14Å; W140-A206 HydrophobicContact CZ2-CB 3.65Å; W140-H209 HydrophobicContact CD2-CB 4.13Å; W140-H209 HydrophobicContact CE3-CB 3.6Å; W140-H209 AromaticContact CE3-CD2 3.52Å; W140-H209 AromaticContact CE3-CG 3.37Å; W140-H209 AromaticContact CE3-ND1 3.9Å; W140-H209 HydrophobicContact CZ3-CB 4.04Å; W140-H209 AromaticContact CZ3-CD2 3.44Å; W140-H209 VanDerWaalsContact CZ3-CD2 3.44Å; W140-H209 WeakPolarHBondContact CZ3-CD2 3.24Å; W140-H209 AromaticContact CZ3-CG 3.76Å
141I98.8Very high97.7Very high74 Ų7431.7 Ų31.738%0.37915%0.151SC..Hα-helixtrans-58.1-47.9175.2-69.9163.8000110.3P137 E138 R144 W145P137-I141 VanDerWaalsContact O-CG1 3.28Å; P137-I141 WeakPolarHBondContact O-CG1 3.39Å; P137-I141 PolarHBondContact O-N 3.08Å; E138-I141 PolarHBondContact O-N 3.46Å; I141-R144 VanDerWaalsContact CG1-NH2 3.34Å; I141-R144 PolarHBondContact O-N 3.32Å; I141-W145 PolarHBondContact O-N 3.09Å
142H98.8Very high97.4Very high1 Ų137.6 Ų37.61%0.00517%0.171CC..Hα-helixtrans-64.8-43.8178-177.476.3000111.8W105 K109 D122 E138 W140 R144 W145 V146W105-H142 HydrophobicContact CB-CB 4.15Å; W105-H142 HydrophobicContact CD2-CB 3.84Å; W105-H142 AromaticContact CD2-CD2 3.73Å; W105-H142 AromaticContact CD2-CG 3.58Å; W105-H142 HydrophobicContact CE3-CB 4.13Å; W105-H142 AromaticContact CE3-CD2 3.08Å; W105-H142 AromaticContact CE3-CE1 3.73Å; W105-H142 AromaticContact CE3-CG 3.39Å; W105-H142 AromaticContact CE3-ND1 3.82Å; W105-H142 AromaticContact CE3-NE2 3.3Å; W105-H142 VanDerWaalsContact CE3-NE2 3.3Å; W105-H142 HydrophobicContact CG-CB 3.86Å; W105-H142 AromaticContact CG-CG 3.82Å; W105-H142 AromaticContact CZ3-CD2 3.39Å; W105-H142 WeakPolarHBondContact CZ3-CD2 3.46Å; W105-H142 AromaticContact CZ3-NE2 3.68Å; K109-H142 WeakPolarHBondContact CE-ND1 3.45Å; K109-H142 PolarHBondContact NZ-ND1 3.32Å; D122-H142 IonicContact OD2-CD2 3.66Å; D122-H142 IonicContact OD2-CE1 3.55Å; D122-H142 IonicContact OD2-NE2 2.65Å; D122-H142 PolarHBondContact OD2-NE2 3.41Å; E138-H142 WeakPolarHBondContact O-CB 3.45Å; E138-H142 PolarHBondContact O-N 3.04Å; W140-H142 VanDerWaalsContact C-N 3.33Å; W140-H142 PolarHBondContact O-N 3.14Å; H142-R144 VanDerWaalsContact C-N 3.32Å; H142-R144 PolarHBondContact O-N 2.88Å; H142-W145 WeakPolarHBondContact O-CA 3.46Å; H142-W145 WeakPolarHBondContact O-CB 3.37Å; H142-W145 PolarHBondContact O-N 3.21Å; H142-V146 WeakPolarHBondContact NE2-CG2 3.43Å; H142-V146 WeakPolarHBondContact O-CG2 3.32Å; H142-V146 PolarHBondContact O-N 3.46Å
143R98.8Very high96.8Very high5 Ų538.6 Ų38.62%0.01918%0.177CC..Hα-helixtrans-57.4-43.2177.5-166.2176.2-173.883.83.7112.1L123 S126 T139 W140 W145 V146 L147 E189L123-R143 HydrophobicContact CD2-CG 3.77Å; L123-R143 PolarHBondContact O-NH1 3.49Å; S126-R143 PolarHBondContact OG-NH1 2.77Å; T139-R143 VanDerWaalsContact O-CB 3.27Å; T139-R143 WeakPolarHBondContact O-CB 3.35Å; T139-R143 PolarHBondContact O-N 3.02Å; W140-R143 PolarHBondContact O-N 3.17Å; R143-W145 VanDerWaalsContact C-N 3.34Å; R143-W145 PolarHBondContact O-N 3.38Å; R143-V146 PolarHBondContact O-N 3.35Å; R143-L147 HydrophobicContact CG-CD1 4.5Å; R143-L147 WeakPolarHBondContact O-CG 3.2Å; R143-L147 PolarHBondContact O-N 3.44Å; R143-E189 WeakPolarHBondContact CD-OE2 3.34Å; R143-E189 IonicContact CZ-OE1 3.11Å; R143-E189 VanDerWaalsContact CZ-OE1 3.23Å; R143-E189 IonicContact CZ-OE2 2.74Å; R143-E189 VanDerWaalsContact NE-CD 3.32Å; R143-E189 IonicContact NE-OE1 3.8Å; R143-E189 PolarHBondContact NE-OE1 3.47Å; R143-E189 VanDerWaalsContact NE-OE1 3.11Å; R143-E189 IonicContact NE-OE2 2.73Å; R143-E189 PolarHBondContact NE-OE2 2.95Å; R143-E189 IonicContact NH2-OE1 2.78Å; R143-E189 PolarHBondContact NH2-OE1 3.49Å; R143-E189 IonicContact NH2-OE2 3.05Å
144R98.8Very high96.1Very high56 Ų5638.4 Ų38.421%0.21118%0.176CC..Hα-helixtrans-58.4-44.1172.9-70.5-170.2-74.7-93.78.1112.3W140 I141 H142 V146 L147 Q148 H209 W212W140-R144 WeakPolarHBondContact O-CG 3.3Å; W140-R144 PolarHBondContact O-N 2.91Å; I141-R144 VanDerWaalsContact CG1-NH2 3.34Å; I141-R144 PolarHBondContact O-N 3.32Å; H142-R144 VanDerWaalsContact C-N 3.32Å; H142-R144 PolarHBondContact O-N 2.88Å; R144-V146 VanDerWaalsContact C-N 3.35Å; R144-V146 PolarHBondContact O-N 3.1Å; R144-L147 PolarHBondContact O-N 3.22Å; R144-Q148 WeakPolarHBondContact O-CG 3.5Å; R144-Q148 PolarHBondContact O-N 3.5Å; R144-H209 WeakPolarHBondContact CG-ND1 3.28Å; R144-W212 HydrophobicContact CB-CD2 4.23Å; R144-W212 HydrophobicContact CB-CE3 4.26Å; R144-W212 HydrophobicContact CB-CH2 4Å; R144-W212 HydrophobicContact CB-CZ2 3.94Å; R144-W212 HydrophobicContact CB-CZ3 4.17Å; R144-W212 VanDerWaalsContact CD-CD2 3.4Å; R144-W212 VanDerWaalsContact CD-CG 3.41Å; R144-W212 HydrophobicContact CG-CD2 3.61Å; R144-W212 HydrophobicContact CG-CE3 3.63Å; R144-W212 HydrophobicContact CG-CG 4.14Å; R144-W212 HydrophobicContact CG-CH2 4.28Å; R144-W212 HydrophobicContact CG-CZ2 4.24Å; R144-W212 HydrophobicContact CG-CZ3 3.99Å; R144-W212 WeakPolarHBondContact O-CH2 3.43Å
145W98.8Very high95.3Very high46 Ų4640.8 Ų40.817%0.17419%0.194CC..Hα-helixtrans-61.2-43.2177.3-176.997.5000111.7K109 L112 E113 I141 H142 R143 Q148 H149K109-W145 HydrophobicContact CB-CD2 4.48Å; K109-W145 HydrophobicContact CB-CE3 4.31Å; K109-W145 HydrophobicContact CB-CH2 3.72Å; K109-W145 HydrophobicContact CB-CZ2 3.86Å; K109-W145 HydrophobicContact CB-CZ3 3.96Å; K109-W145 HydrophobicContact CD-CD2 3.68Å; K109-W145 HydrophobicContact CD-CE3 4.1Å; K109-W145 HydrophobicContact CD-CG 3.94Å; K109-W145 HydrophobicContact CD-CZ2 4.23Å; K109-W145 HydrophobicContact CG-CD2 3.8Å; K109-W145 HydrophobicContact CG-CE3 3.68Å; K109-W145 HydrophobicContact CG-CG 4.5Å; K109-W145 HydrophobicContact CG-CH2 4.03Å; K109-W145 HydrophobicContact CG-CZ2 4.11Å; K109-W145 HydrophobicContact CG-CZ3 3.82Å; L112-W145 HydrophobicContact CB-CH2 4.29Å; L112-W145 HydrophobicContact CB-CZ3 4.17Å; L112-W145 HydrophobicContact CD1-CE3 4.47Å; L112-W145 HydrophobicContact CD1-CZ3 3.68Å; E113-W145 HydrophobicContact CG-CH2 3.97Å; E113-W145 HydrophobicContact CG-CZ2 4.11Å; I141-W145 PolarHBondContact O-N 3.09Å; H142-W145 WeakPolarHBondContact O-CA 3.46Å; H142-W145 WeakPolarHBondContact O-CB 3.37Å; H142-W145 PolarHBondContact O-N 3.21Å; R143-W145 VanDerWaalsContact C-N 3.34Å; R143-W145 PolarHBondContact O-N 3.38Å; W145-Q148 PolarHBondContact O-N 3.39Å; W145-H149 HydrophobicContact CE3-CB 4.32Å; W145-H149 HydrophobicContact CH2-CB 4.27Å; W145-H149 AromaticContact CH2-ND1 3.9Å; W145-H149 HydrophobicContact CZ3-CB 4.03Å; W145-H149 WeakPolarHBondContact O-CB 3.5Å; W145-H149 PolarHBondContact O-N 2.83Å
146V98.6Very high94.4Very high0 Ų038.9 Ų38.90%019%0.194CC..Hα-helixtrans-64-43.5178.4178.60000111.1L112 P119 L123 H142 R143 R144 Q148 H149 I150L112-V146 HydrophobicContact CD1-CG2 3.94Å; P119-V146 HydrophobicContact CB-CG1 4.03Å; L123-V146 HydrophobicContact CD2-CB 4.02Å; L123-V146 HydrophobicContact CD2-CG1 3.77Å; L123-V146 HydrophobicContact CG-CG1 3.84Å; H142-V146 WeakPolarHBondContact NE2-CG2 3.43Å; H142-V146 WeakPolarHBondContact O-CG2 3.32Å; H142-V146 PolarHBondContact O-N 3.46Å; R143-V146 PolarHBondContact O-N 3.35Å; R144-V146 VanDerWaalsContact C-N 3.35Å; R144-V146 PolarHBondContact O-N 3.1Å; V146-Q148 PolarHBondContact O-N 3.2Å; V146-H149 WeakPolarHBondContact O-CB 3.46Å; V146-H149 PolarHBondContact O-N 3.4Å; V146-H149 VanDerWaalsContact O-N 3.17Å; V146-I150 HydrophobicContact CG1-CD1 4.16Å; V146-I150 WeakPolarHBondContact O-CG1 3.25Å; V146-I150 PolarHBondContact O-N 2.82Å
147L98.1Very high93.2Very high1 Ų143.1 Ų43.11%0.00522%0.219CC..Hα-helixtrans-61.9-43.9175.9-66.9168.9000111.5L123 R143 R144 H149 I150 L151 E189 W212 V213 M217L123-L147 HydrophobicContact CD1-CD2 4.06Å; L123-L147 HydrophobicContact CD2-CD2 4.22Å; L123-L147 HydrophobicContact CD2-CG 4.31Å; R143-L147 HydrophobicContact CG-CD1 4.5Å; R143-L147 WeakPolarHBondContact O-CG 3.2Å; R143-L147 PolarHBondContact O-N 3.44Å; R144-L147 PolarHBondContact O-N 3.22Å; L147-H149 VanDerWaalsContact C-N 3.3Å; L147-H149 PolarHBondContact O-N 3.43Å; L147-I150 PolarHBondContact O-N 3.26Å; L147-L151 WeakPolarHBondContact O-CG 3.25Å; L147-L151 PolarHBondContact O-N 2.96Å; L147-E189 HydrophobicContact CD1-CG 3.93Å; L147-E189 HydrophobicContact CD2-CG 4.3Å; L147-W212 HydrophobicContact CB-CH2 4.05Å; L147-W212 HydrophobicContact CB-CZ3 4.03Å; L147-W212 HydrophobicContact CD1-CZ3 3.79Å; L147-V213 HydrophobicContact CD1-CG2 4.18Å; L147-M217 HydrophobicContact CB-SD 4.32Å; L147-M217 HydrophobicContact CD1-SD 4.25Å; L147-M217 HydrophobicContact CD2-CE 4.32Å; L147-M217 HydrophobicContact CD2-SD 4.33Å
148Q96.9Very high91.7Very high57 Ų5742.5 Ų42.527%0.26622%0.219SC..Hα-helixtrans-60.8-39.5173.3-72.8-179.1-21.800112.3R144 W145 V146 L151 R152 W212R144-Q148 WeakPolarHBondContact O-CG 3.5Å; R144-Q148 PolarHBondContact O-N 3.5Å; W145-Q148 PolarHBondContact O-N 3.39Å; V146-Q148 PolarHBondContact O-N 3.2Å; Q148-L151 PolarHBondContact O-N 2.8Å; Q148-R152 VanDerWaalsContact O-CG 3.31Å; Q148-R152 WeakPolarHBondContact O-CG 3.44Å; Q148-R152 PolarHBondContact O-N 3.31Å; Q148-W212 HydrophobicContact CG-CH2 3.75Å; Q148-W212 HydrophobicContact CG-CZ2 3.55Å
149H95.5Very high90.1Very high24 Ų2446 Ų4611%0.11124%0.235CC..Hα-helixtrans-61.4-45.6176.8-177.482.2000111.1W145 V146 L147 L151 R152 Q153W145-H149 HydrophobicContact CE3-CB 4.32Å; W145-H149 HydrophobicContact CH2-CB 4.27Å; W145-H149 AromaticContact CH2-ND1 3.9Å; W145-H149 HydrophobicContact CZ3-CB 4.03Å; W145-H149 WeakPolarHBondContact O-CB 3.5Å; W145-H149 PolarHBondContact O-N 2.83Å; V146-H149 WeakPolarHBondContact O-CB 3.46Å; V146-H149 PolarHBondContact O-N 3.4Å; V146-H149 VanDerWaalsContact O-N 3.17Å; L147-H149 VanDerWaalsContact C-N 3.3Å; L147-H149 PolarHBondContact O-N 3.43Å; H149-L151 PolarHBondContact O-N 3.1Å; H149-R152 PolarHBondContact O-N 3.42Å; H149-Q153 PolarHBondContact CD2-NE2 3.38Å; H149-Q153 PolarHBondContact NE2-NE2 3.12Å; H149-Q153 WeakPolarHBondContact O-CG 3.46Å; H149-Q153 PolarHBondContact O-N 2.88Å; H149-Q153 VanDerWaalsContact O-N 3.07Å
150I94.3Very high88.4Confident11 Ų1153.1 Ų53.16%0.05627%0.266CS..Hα-helixtrans-59.3-46.7174.8-67.6166.1000111P119 L123 V146 L147 R152 Q153 F154 L185P119-I150 HydrophobicContact CB-CD1 3.77Å; P119-I150 HydrophobicContact CB-CG1 3.69Å; P119-I150 HydrophobicContact CG-CG1 4.27Å; L123-I150 HydrophobicContact CD1-CD1 3.8Å; V146-I150 HydrophobicContact CG1-CD1 4.16Å; V146-I150 WeakPolarHBondContact O-CG1 3.25Å; V146-I150 PolarHBondContact O-N 2.82Å; L147-I150 PolarHBondContact O-N 3.26Å; I150-R152 PolarHBondContact O-N 2.96Å; I150-Q153 WeakPolarHBondContact O-CB 3.5Å; I150-Q153 PolarHBondContact O-N 3.18Å; I150-F154 HydrophobicContact CG2-CD2 4Å; I150-F154 HydrophobicContact CG2-CE2 3.3Å; I150-F154 HydrophobicContact CG2-CZ 3.74Å; I150-F154 WeakPolarHBondContact O-CD2 3.47Å; I150-F154 PolarHBondContact O-N 3.28Å; I150-F154 VanDerWaalsContact O-N 3.12Å; I150-L185 HydrophobicContact CG2-CD1 3.94Å
151L91.8Very high86.3Confident39 Ų3955.1 Ų55.120%0.20428%0.278CS..Hα-helixtrans-60.6-43178.4-67.4172.7000112.5L147 Q148 H149 Q153 F154 S155 L182 M217L147-L151 WeakPolarHBondContact O-CG 3.25Å; L147-L151 PolarHBondContact O-N 2.96Å; Q148-L151 PolarHBondContact O-N 2.8Å; H149-L151 PolarHBondContact O-N 3.1Å; L151-Q153 VanDerWaalsContact C-N 3.31Å; L151-Q153 PolarHBondContact O-N 3.11Å; L151-F154 WeakPolarHBondContact O-CB 3.33Å; L151-F154 PolarHBondContact O-N 3.19Å; L151-S155 PolarHBondContact O-N 3.34Å; L151-S155 VanDerWaalsContact O-N 3.1Å; L151-S155 PolarHBondContact O-OG 3.44Å; L151-L182 HydrophobicContact CD2-CD1 3.86Å; L151-M217 HydrophobicContact CD1-CG 3.95Å
152R90.6Very high84.1Confident142 Ų14258.1 Ų58.154%0.53629%0.291SS..Hα-helixtrans-62.9-38177.1-72.6172.6-174.7142.55112.1Q148 H149 I150 F154 S155 A156Q148-R152 VanDerWaalsContact O-CG 3.31Å; Q148-R152 WeakPolarHBondContact O-CG 3.44Å; Q148-R152 PolarHBondContact O-N 3.31Å; H149-R152 PolarHBondContact O-N 3.42Å; I150-R152 PolarHBondContact O-N 2.96Å; R152-F154 VanDerWaalsContact C-N 3.34Å; R152-S155 PolarHBondContact O-N 3.22Å; R152-A156 WeakPolarHBondContact O-CB 3.39Å; R152-A156 PolarHBondContact O-N 3.19Å
153Q86.8Confident82Confident88 Ų8866.1 Ų66.141%0.41133%0.328SS..Hα-helixtrans-62.5-41.8175.2-71-176.3-1.900111.3H149 I150 L151 A156 V157H149-Q153 PolarHBondContact CD2-NE2 3.38Å; H149-Q153 PolarHBondContact NE2-NE2 3.12Å; H149-Q153 WeakPolarHBondContact O-CG 3.46Å; H149-Q153 PolarHBondContact O-N 2.88Å; H149-Q153 VanDerWaalsContact O-N 3.07Å; I150-Q153 WeakPolarHBondContact O-CB 3.5Å; I150-Q153 PolarHBondContact O-N 3.18Å; L151-Q153 VanDerWaalsContact C-N 3.31Å; L151-Q153 PolarHBondContact O-N 3.11Å; Q153-A156 PolarHBondContact O-N 3.43Å; Q153-V157 WeakPolarHBondContact O-CG2 3.43Å; Q153-V157 PolarHBondContact O-N 3.03Å
154F82.4Confident79.6Confident53 Ų5374.1 Ų74.123%0.23237%0.366CS..Hα-helixtrans-61.3-45.7175.2-66.8-43.2000112.9I150 L151 R152 A156 V157 A158 L178 H181 L185I150-F154 HydrophobicContact CG2-CD2 4Å; I150-F154 HydrophobicContact CG2-CE2 3.3Å; I150-F154 HydrophobicContact CG2-CZ 3.74Å; I150-F154 WeakPolarHBondContact O-CD2 3.47Å; I150-F154 PolarHBondContact O-N 3.28Å; I150-F154 VanDerWaalsContact O-N 3.12Å; L151-F154 WeakPolarHBondContact O-CB 3.33Å; L151-F154 PolarHBondContact O-N 3.19Å; R152-F154 VanDerWaalsContact C-N 3.34Å; F154-A156 VanDerWaalsContact C-N 3.35Å; F154-A156 PolarHBondContact O-N 3.32Å; F154-V157 PolarHBondContact O-N 2.92Å; F154-A158 PolarHBondContact O-N 3.09Å; F154-A158 VanDerWaalsContact O-N 3.07Å; F154-L178 HydrophobicContact CB-CD1 3.72Å; F154-L178 HydrophobicContact CD1-CD1 3.5Å; F154-L178 HydrophobicContact CD2-CD1 3.73Å; F154-L178 HydrophobicContact CE1-CD1 4.02Å; F154-L178 HydrophobicContact CE2-CD1 4.19Å; F154-L178 HydrophobicContact CG-CD1 3.37Å; F154-L178 HydrophobicContact CZ-CD1 4.35Å; F154-H181 AromaticContact CE2-CD2 3.66Å; F154-H181 AromaticContact CZ-CD2 3.3Å; F154-H181 WeakPolarHBondContact CZ-CD2 3.32Å; F154-H181 AromaticContact CZ-CG 3.9Å; F154-H181 AromaticContact CZ-NE2 3.5Å; F154-H181 WeakPolarHBondContact CZ-NE2 3.36Å; F154-L185 HydrophobicContact CE2-CD1 4.47Å
155S80.9Confident77.3Confident67 Ų6774.3 Ų74.347%0.46937%0.373SS..Hα-helixtrans-62.3-41176.7-55.90000112.2L151 R152 V157 A158 H159L151-S155 PolarHBondContact O-N 3.34Å; L151-S155 VanDerWaalsContact O-N 3.1Å; L151-S155 PolarHBondContact O-OG 3.44Å; R152-S155 PolarHBondContact O-N 3.22Å; S155-V157 PolarHBondContact O-N 2.94Å; S155-A158 PolarHBondContact O-N 3.31Å; S155-H159 PolarHBondContact O-CD2 2.89Å; S155-H159 PolarHBondContact O-N 3.34Å; S155-H159 VanDerWaalsContact O-N 3.08Å
156A79.6Confident74.9Confident45 Ų4581.6 Ų81.637%0.37241%0.409SS..Hα-helixtrans-65.6-36.9179.200000112.9R152 Q153 F154 K160R152-A156 WeakPolarHBondContact O-CB 3.39Å; R152-A156 PolarHBondContact O-N 3.19Å; Q153-A156 PolarHBondContact O-N 3.43Å; F154-A156 VanDerWaalsContact C-N 3.35Å; F154-A156 PolarHBondContact O-N 3.32Å; A156-K160 WeakPolarHBondContact O-CG 3.43Å; A156-K160 PolarHBondContact O-N 3.15Å; A156-K160 VanDerWaalsContact O-N 3.16Å
157V72.7Confident72.5Confident93 Ų9386.2 Ų86.256%0.56445%0.447SS*.Hα-helixtrans-68.7-39.8175.6173.10000111.1Q153 F154 S155 T161Q153-V157 WeakPolarHBondContact O-CG2 3.43Å; Q153-V157 PolarHBondContact O-N 3.03Å; F154-V157 PolarHBondContact O-N 2.92Å; S155-V157 PolarHBondContact O-N 2.94Å; V157-T161 PolarHBondContact O-N 2.98Å; V157-T161 PolarHBondContact O-OG1 3.07Å
158A67.1Low70.2Confident44 Ų4494 Ų9436%0.36448%0.483SS..Hα-helixtrans-61-45.5175.800000112.1F154 S155 T161 Q162F154-A158 PolarHBondContact O-N 3.09Å; F154-A158 VanDerWaalsContact O-N 3.07Å; S155-A158 PolarHBondContact O-N 3.31Å; A158-T161 PolarHBondContact O-N 2.86Å; A158-Q162 PolarHBondContact O-N 3.38Å
159H64.8Low68.1Low119 Ų11999.7 Ų99.755%0.55151%0.51SS*.Hα-helixtrans-69.3-38.3-179.8-73.8-58.1000114.1S155 T161 Q162 Q163S155-H159 PolarHBondContact O-CD2 2.89Å; S155-H159 PolarHBondContact O-N 3.34Å; S155-H159 VanDerWaalsContact O-N 3.08Å; H159-T161 VanDerWaalsContact C-N 3.28Å; H159-T161 PolarHBondContact O-N 3.38Å; H159-Q162 PolarHBondContact O-N 2.69Å; H159-Q163 PolarHBondContact O-N 2.85Å
160K63.4Low65.9Low150 Ų150104.3 Ų104.365%0.65254%0.542SS*.Hα-helixtrans-64.4-34.5176.6-75.2178.4-179.7-177.50112.4A156 Q164A156-K160 WeakPolarHBondContact O-CG 3.43Å; A156-K160 PolarHBondContact O-N 3.15Å; A156-K160 VanDerWaalsContact O-N 3.16Å; K160-Q164 PolarHBondContact O-N 3.4Å
161T54.7Low63.8Low43 Ų43108 Ų10826%0.26456%0.562SS.*Hα-helixtrans-73.3-38.1179.4-50.50000111.2V157 A158 H159 Q163 Q164 V165V157-T161 PolarHBondContact O-N 2.98Å; V157-T161 PolarHBondContact O-OG1 3.07Å; A158-T161 PolarHBondContact O-N 2.86Å; H159-T161 VanDerWaalsContact C-N 3.28Å; H159-T161 PolarHBondContact O-N 3.38Å; T161-Q163 VanDerWaalsContact C-N 3.31Å; T161-Q163 PolarHBondContact O-N 2.94Å; T161-Q164 PolarHBondContact O-N 3.42Å; T161-V165 HydrophobicContact CG2-CG2 4.13Å; T161-V165 WeakPolarHBondContact O-CB 3.4Å; T161-V165 VanDerWaalsContact O-CG2 3.25Å; T161-V165 WeakPolarHBondContact O-CG2 3.02Å; T161-V165 PolarHBondContact O-N 3.33Å
162Q53.5Low62.1Low136 Ų136110.3 Ų110.364%0.63659%0.587SS**Hα-helixtrans-64.4-31.1175.8-76.4173.4-16.900113.4A158 H159A158-Q162 PolarHBondContact O-N 3.38Å; H159-Q162 PolarHBondContact O-N 2.69Å
163Q53.3Low60.4Low170 Ų170111.4 Ų111.479%0.79460%0.598SS**Hα-helixtrans-79.5-19.7176.1-78.3-179-4.600114.3H159 T161H159-Q163 PolarHBondContact O-N 2.85Å; T161-Q163 VanDerWaalsContact C-N 3.31Å; T161-Q163 PolarHBondContact O-N 2.94Å
164Q49.7Very low59Low172 Ų172113.9 Ų113.980%0.80460%0.603SS**Hα-helixtrans-95.3-10.4178.1-77.3-174.4-30.600113.4K160 T161K160-Q164 PolarHBondContact O-N 3.4Å; T161-Q164 PolarHBondContact O-N 3.42Å
165V50.2Low57.9Low61 Ų61116.9 Ų116.937%0.3763%0.626SS.*  trans-122.664.3-170.2-1750000109.5T161 A167 E168T161-V165 HydrophobicContact CG2-CG2 4.13Å; T161-V165 WeakPolarHBondContact O-CB 3.4Å; T161-V165 VanDerWaalsContact O-CG2 3.25Å; T161-V165 WeakPolarHBondContact O-CG2 3.02Å; T161-V165 PolarHBondContact O-N 3.33Å; V165-A167 VanDerWaalsContact C-N 3.31Å; V165-E168 HydrophobicContact CG1-CB 4.42Å; V165-E168 WeakPolarHBondContact CG1-O 3.35Å
166E48.3Very low57.2Low199 Ų199117.6 Ų117.693%0.9363%0.629SS**SBendtrans-90.25.1159-89.7-176164.100111.7
167A47Very low56.8Low96 Ų96122.1 Ų122.179%0.79364%0.641SS**SBendtrans-125.6-7.6-176.900000116.8V165V165-A167 VanDerWaalsContact C-N 3.31Å
168E50.4Low56.9Low165 Ų165121 Ų12177%0.77163%0.631SS**SBendtrans-138.5152.6175.4-71.5-171.9159.900111.3V165V165-E168 HydrophobicContact CG1-CB 4.42Å; V165-E168 WeakPolarHBondContact CG1-O 3.35Å
169Q53.1Low57.5Low177 Ų177120.3 Ų120.383%0.82763%0.629SS**  trans-63.1152.1-173.6-67.5-164.1-8.500112.5D171Q169-D171 PolarHBondContact O-N 3.21Å; Q169-D171 VanDerWaalsContact O-N 3.14Å
170P49.5Very low58.4Low121 Ų121117.7 Ų117.779%0.78662%0.624SS**  trans-63.1118.4173.325.9-31.7000109.7A172P170-A172 PolarHBondContact O-N 3.47Å
171D51.2Low59.5Low87 Ų87112.1 Ų112.147%0.46560%0.6SS.*  trans-46.8108.4172.3-94-25.7000110.2Q169 E173 R174Q169-D171 PolarHBondContact O-N 3.21Å; Q169-D171 VanDerWaalsContact O-N 3.14Å; D171-E173 PolarHBondContact O-N 3Å; D171-R174 HydrophobicContact CB-CB 4.49Å; D171-R174 HydrophobicContact CB-CG 3.88Å; D171-R174 PolarHBondContact O-N 3.24Å; D171-R174 IonicContact OD2-CZ 3.61Å; D171-R174 IonicContact OD2-NE 3.03Å; D171-R174 PolarHBondContact OD2-NE 3.13Å; D171-R174 IonicContact OD2-NH2 3.73Å; D171-R174 PolarHBondContact OD2-NH2 3.48Å
172A54.8Low61.2Low88 Ų88112.1 Ų112.173%0.72760%0.598SS**THydrogen-bonded Turntrans-59.8-12.9178.800000113.4P170 P176P170-A172 PolarHBondContact O-N 3.47Å; A172-P176 VanDerWaalsContact O-CD 3.24Å; A172-P176 WeakPolarHBondContact O-CD 3.37Å; A172-P176 WeakPolarHBondContact O-CG 3.37Å
173E55.9Low63Low165 Ų165109.6 Ų109.677%0.77159%0.589SS**THydrogen-bonded Turntrans-91.5-16.8-178.3-62.8-173.4167.400114.6D171 P176 F177D171-E173 PolarHBondContact O-N 3Å; E173-P176 WeakPolarHBondContact O-CD 3.24Å; E173-F177 PolarHBondContact O-N 3.45Å
174R56Low65Low140 Ų140106 Ų10653%0.52857%0.568SS.*Hα-helixtrans-80.6-36.9-176-70.4-175.6-163.8-172.46.4114.1D171 F177 L178D171-R174 HydrophobicContact CB-CB 4.49Å; D171-R174 HydrophobicContact CB-CG 3.88Å; D171-R174 PolarHBondContact O-N 3.24Å; D171-R174 IonicContact OD2-CZ 3.61Å; D171-R174 IonicContact OD2-NE 3.03Å; D171-R174 PolarHBondContact OD2-NE 3.13Å; D171-R174 IonicContact OD2-NH2 3.73Å; D171-R174 PolarHBondContact OD2-NH2 3.48Å; R174-F177 PolarHBondContact O-N 2.95Å; R174-L178 PolarHBondContact O-N 3.28Å; R174-L178 VanDerWaalsContact O-N 3.17Å
175T60.6Low67.2Low116 Ų11697.9 Ų97.971%0.71253%0.53SS*.Hα-helixtrans-64.4-42.9178-480000112.4G179T175-G179 PolarHBondContact O-N 2.98Å
176P65.8Low69.4Low82 Ų8295.5 Ų95.553%0.53252%0.516SS..Hα-helixtrans-62.1-39.1171.6-22.132.6000113.6A172 E173 L178 G179 S180A172-P176 VanDerWaalsContact O-CD 3.24Å; A172-P176 WeakPolarHBondContact O-CD 3.37Å; A172-P176 WeakPolarHBondContact O-CG 3.37Å; E173-P176 WeakPolarHBondContact O-CD 3.24Å; P176-L178 PolarHBondContact O-N 3.31Å; P176-G179 PolarHBondContact O-N 3.39Å; P176-S180 WeakPolarHBondContact O-CB 3.33Å; P176-S180 PolarHBondContact O-N 2.92Å; P176-S180 PolarHBondContact O-OG 3.5Å
177F70.9Confident71.7Confident140 Ų14092.4 Ų92.461%0.61450%0.501SS*.Hα-helixtrans-62.2-44.8179.2-179.7-98.8000111.9E173 R174 S180 H181E173-F177 PolarHBondContact O-N 3.45Å; R174-F177 PolarHBondContact O-N 2.95Å; F177-S180 PolarHBondContact O-N 3.13Å; F177-S180 PolarHBondContact O-OG 3.47Å; F177-H181 PolarHBondContact O-N 3Å
178L74.3Confident74.1Confident69 Ų6991.4 Ų91.436%0.36148%0.48SS..Hα-helixtrans-64.6-42.2178.2-176.162.3000112.3F154 R174 P176 H181 L182F154-L178 HydrophobicContact CB-CD1 3.72Å; F154-L178 HydrophobicContact CD1-CD1 3.5Å; F154-L178 HydrophobicContact CD2-CD1 3.73Å; F154-L178 HydrophobicContact CE1-CD1 4.02Å; F154-L178 HydrophobicContact CE2-CD1 4.19Å; F154-L178 HydrophobicContact CG-CD1 3.37Å; F154-L178 HydrophobicContact CZ-CD1 4.35Å; R174-L178 PolarHBondContact O-N 3.28Å; R174-L178 VanDerWaalsContact O-N 3.17Å; P176-L178 PolarHBondContact O-N 3.31Å; L178-H181 PolarHBondContact O-N 3.28Å; L178-L182 PolarHBondContact O-N 3.47Å
179G79.9Confident76.4Confident31 Ų3183.5 Ų83.532%0.3244%0.443SS..Hα-helixtrans-58.6-48.8173.500000111.8T175 P176 H181 L182 D183T175-G179 PolarHBondContact O-N 2.98Å; P176-G179 PolarHBondContact O-N 3.39Å; G179-H181 VanDerWaalsContact C-N 3.3Å; G179-H181 PolarHBondContact O-N 3.12Å; G179-L182 PolarHBondContact O-N 3.03Å; G179-D183 VanDerWaalsContact O-CG 3.27Å; G179-D183 PolarHBondContact O-N 2.93Å
180S84.1Confident78.6Confident63 Ų6375.6 Ų75.644%0.44141%0.406SS..Hα-helixtrans-62.2-35.3179.475.90000113.4P176 F177 R184P176-S180 WeakPolarHBondContact O-CB 3.33Å; P176-S180 PolarHBondContact O-N 2.92Å; P176-S180 PolarHBondContact O-OG 3.5Å; F177-S180 PolarHBondContact O-N 3.13Å; F177-S180 PolarHBondContact O-OG 3.47Å; S180-R184 WeakPolarHBondContact O-CB 3.31Å; S180-R184 PolarHBondContact O-N 2.99Å; S180-R184 VanDerWaalsContact O-N 3.09Å
181H86.9Confident80.9Confident33 Ų3375.4 Ų75.415%0.15339%0.393CS..Hα-helixtrans-69.7-42.5176.7-171.3102.6000111.3F154 F177 L178 G179 R184 L185F154-H181 AromaticContact CE2-CD2 3.66Å; F154-H181 AromaticContact CZ-CD2 3.3Å; F154-H181 WeakPolarHBondContact CZ-CD2 3.32Å; F154-H181 AromaticContact CZ-CG 3.9Å; F154-H181 AromaticContact CZ-NE2 3.5Å; F154-H181 WeakPolarHBondContact CZ-NE2 3.36Å; F177-H181 PolarHBondContact O-N 3Å; L178-H181 PolarHBondContact O-N 3.28Å; G179-H181 VanDerWaalsContact C-N 3.3Å; G179-H181 PolarHBondContact O-N 3.12Å; H181-R184 PolarHBondContact CE1-NH2 3Å; H181-R184 PolarHBondContact ND1-NH2 3.15Å; H181-R184 PolarHBondContact NE2-NH2 3.13Å; H181-R184 PolarHBondContact O-N 3.37Å; H181-L185 WeakPolarHBondContact O-CG 3.31Å; H181-L185 PolarHBondContact O-N 3.14Å
182L89.7Confident83.1Confident43 Ų4371.6 Ų71.623%0.22537%0.373CS..Hα-helixtrans-63.6-44.1177.6-17460.3000111.2L151 L178 G179 R184 L185 I186 M217L151-L182 HydrophobicContact CD2-CD1 3.86Å; L178-L182 PolarHBondContact O-N 3.47Å; G179-L182 PolarHBondContact O-N 3.03Å; L182-R184 VanDerWaalsContact C-N 3.31Å; L182-R184 PolarHBondContact O-N 3.48Å; L182-L185 PolarHBondContact O-N 3.02Å; L182-L185 VanDerWaalsContact O-N 3.15Å; L182-I186 HydrophobicContact CD1-CD1 4.47Å; L182-I186 HydrophobicContact CG-CD1 4.03Å; L182-I186 WeakPolarHBondContact O-CG1 3.39Å; L182-I186 PolarHBondContact O-N 3.24Å; L182-M217 HydrophobicContact CD1-CB 4.04Å; L182-M217 HydrophobicContact CD1-CE 3.55Å; L182-M217 HydrophobicContact CD1-CG 4.42Å; L182-M217 WeakPolarHBondContact CD2-O 3.44Å
183D91.6Very high85.2Confident83 Ų8367.5 Ų67.544%0.44434%0.339SS..Hα-helixtrans-59-43.4175.9-69.7-22.6000111.4G179 L185 I186 H187G179-D183 VanDerWaalsContact O-CG 3.27Å; G179-D183 PolarHBondContact O-N 2.93Å; D183-L185 PolarHBondContact O-N 3.36Å; D183-I186 PolarHBondContact O-N 2.76Å; D183-H187 WeakPolarHBondContact O-CB 3.5Å; D183-H187 PolarHBondContact O-N 3.37Å
184R94.5Very high87.3Confident94 Ų9461.1 Ų61.136%0.35531%0.312SS..Hα-helixtrans-61.3-43.5175.2-175.6-175.764.6113.97.7111.8E120 S180 H181 L182 H187 Q188E120-R184 IonicContact OE1-CZ 2.69Å; E120-R184 IonicContact OE1-NH1 3.43Å; E120-R184 PolarHBondContact OE1-NH1 2.89Å; E120-R184 IonicContact OE1-NH2 3.64Å; E120-R184 PolarHBondContact OE1-NH2 2.89Å; S180-R184 WeakPolarHBondContact O-CB 3.31Å; S180-R184 PolarHBondContact O-N 2.99Å; S180-R184 VanDerWaalsContact O-N 3.09Å; H181-R184 PolarHBondContact CE1-NH2 3Å; H181-R184 PolarHBondContact ND1-NH2 3.15Å; H181-R184 PolarHBondContact NE2-NH2 3.13Å; H181-R184 PolarHBondContact O-N 3.37Å; L182-R184 VanDerWaalsContact C-N 3.31Å; L182-R184 PolarHBondContact O-N 3.48Å; R184-H187 PolarHBondContact O-N 3.03Å; R184-Q188 WeakPolarHBondContact O-CB 3.46Å; R184-Q188 VanDerWaalsContact O-CG 3.28Å; R184-Q188 WeakPolarHBondContact O-CG 3.19Å; R184-Q188 PolarHBondContact O-N 2.99Å
185L95.8Very high89.3Confident2 Ų257 Ų571%0.0130%0.301CS..Hα-helixtrans-64-48.5177.6-72.4175.5000111L123 I150 F154 H181 L182 D183 H187 Q188 E189 M217L123-L185 HydrophobicContact CD1-CD2 4.33Å; I150-L185 HydrophobicContact CG2-CD1 3.94Å; F154-L185 HydrophobicContact CE2-CD1 4.47Å; H181-L185 WeakPolarHBondContact O-CG 3.31Å; H181-L185 PolarHBondContact O-N 3.14Å; L182-L185 PolarHBondContact O-N 3.02Å; L182-L185 VanDerWaalsContact O-N 3.15Å; D183-L185 PolarHBondContact O-N 3.36Å; L185-H187 VanDerWaalsContact C-N 3.3Å; L185-H187 PolarHBondContact O-N 3.49Å; L185-Q188 WeakPolarHBondContact O-CB 3.36Å; L185-Q188 PolarHBondContact O-N 2.97Å; L185-Q188 VanDerWaalsContact O-N 3.15Å; L185-E189 WeakPolarHBondContact O-CG 3.38Å; L185-E189 PolarHBondContact O-N 3.41Å; L185-M217 HydrophobicContact CB-CE 3.78Å; L185-M217 HydrophobicContact CD1-CE 4.16Å
186I96.6Very high91.1Very high12 Ų1251.6 Ų51.66%0.06227%0.268CS..Hα-helixtrans-55.4-49.2177.2-67.9166.4000109.8L182 D183 Q188 E189 M190 V213 M217 A218 V224L182-I186 HydrophobicContact CD1-CD1 4.47Å; L182-I186 HydrophobicContact CG-CD1 4.03Å; L182-I186 WeakPolarHBondContact O-CG1 3.39Å; L182-I186 PolarHBondContact O-N 3.24Å; D183-I186 PolarHBondContact O-N 2.76Å; I186-Q188 VanDerWaalsContact C-N 3.34Å; I186-Q188 PolarHBondContact O-N 2.89Å; I186-E189 WeakPolarHBondContact O-CB 3.5Å; I186-E189 PolarHBondContact O-N 2.98Å; I186-E189 VanDerWaalsContact O-N 3.13Å; I186-M190 HydrophobicContact CG2-CE 3.76Å; I186-M190 HydrophobicContact CG2-CG 4.39Å; I186-M190 WeakPolarHBondContact O-CG 3.38Å; I186-M190 PolarHBondContact O-N 3.05Å; I186-V213 HydrophobicContact CG1-CG1 4.43Å; I186-M217 HydrophobicContact CD1-CB 4.07Å; I186-M217 HydrophobicContact CG1-CB 3.88Å; I186-M217 HydrophobicContact CG1-CE 4.3Å; I186-A218 HydrophobicContact CD1-CB 4.15Å; I186-V224 HydrophobicContact CG2-CG1 4.41Å
187H97.1Very high92.6Very high134 Ų13447.9 Ų47.962%0.6224%0.244SC*.Hα-helixtrans-59.4-42.6178.7-176.477.1000112.7D183 R184 L185 E189 M190 K191D183-H187 WeakPolarHBondContact O-CB 3.5Å; D183-H187 PolarHBondContact O-N 3.37Å; R184-H187 PolarHBondContact O-N 3.03Å; L185-H187 VanDerWaalsContact C-N 3.3Å; L185-H187 PolarHBondContact O-N 3.49Å; H187-E189 VanDerWaalsContact C-N 3.35Å; H187-M190 PolarHBondContact O-N 3.26Å; H187-K191 PolarHBondContact O-N 3.29Å; H187-K191 VanDerWaalsContact O-N 3.07Å
188Q97.9Very high93.8Very high74 Ų7445.1 Ų45.135%0.34624%0.241SC..Hα-helixtrans-62.5-41.5175.2-74.3176.30.100111.9R184 L185 I186 K191 V192R184-Q188 WeakPolarHBondContact O-CB 3.46Å; R184-Q188 VanDerWaalsContact O-CG 3.28Å; R184-Q188 WeakPolarHBondContact O-CG 3.19Å; R184-Q188 PolarHBondContact O-N 2.99Å; L185-Q188 WeakPolarHBondContact O-CB 3.36Å; L185-Q188 PolarHBondContact O-N 2.97Å; L185-Q188 VanDerWaalsContact O-N 3.15Å; I186-Q188 VanDerWaalsContact C-N 3.34Å; I186-Q188 PolarHBondContact O-N 2.89Å; Q188-K191 PolarHBondContact O-N 3.24Å; Q188-V192 WeakPolarHBondContact O-CG2 3.35Å; Q188-V192 PolarHBondContact O-N 3.05Å
189E98.6Very high94.9Very high0 Ų046.3 Ų46.30%024%0.241CC..Hα-helixtrans-63.7-43.7176-66.3-50.2113.200112R143 L147 L185 I186 H187 K191 V192 C193 H209 V213R143-E189 WeakPolarHBondContact CD-OE2 3.34Å; R143-E189 IonicContact CZ-OE1 3.11Å; R143-E189 VanDerWaalsContact CZ-OE1 3.23Å; R143-E189 IonicContact CZ-OE2 2.74Å; R143-E189 VanDerWaalsContact NE-CD 3.32Å; R143-E189 IonicContact NE-OE1 3.8Å; R143-E189 PolarHBondContact NE-OE1 3.47Å; R143-E189 VanDerWaalsContact NE-OE1 3.11Å; R143-E189 IonicContact NE-OE2 2.73Å; R143-E189 PolarHBondContact NE-OE2 2.95Å; R143-E189 IonicContact NH2-OE1 2.78Å; R143-E189 PolarHBondContact NH2-OE1 3.49Å; R143-E189 IonicContact NH2-OE2 3.05Å; L147-E189 HydrophobicContact CD1-CG 3.93Å; L147-E189 HydrophobicContact CD2-CG 4.3Å; L185-E189 WeakPolarHBondContact O-CG 3.38Å; L185-E189 PolarHBondContact O-N 3.41Å; I186-E189 WeakPolarHBondContact O-CB 3.5Å; I186-E189 PolarHBondContact O-N 2.98Å; I186-E189 VanDerWaalsContact O-N 3.13Å; H187-E189 VanDerWaalsContact C-N 3.35Å; E189-K191 VanDerWaalsContact C-N 3.26Å; E189-K191 PolarHBondContact O-N 2.8Å; E189-V192 PolarHBondContact O-N 3.34Å; E189-C193 WeakPolarHBondContact O-CB 3.47Å; E189-C193 PolarHBondContact O-N 2.99Å; E189-C193 PolarHBondContact O-SG 3.41Å; E189-C193 VanDerWaalsContact O-SG 3.41Å; E189-H209 IonicContact OE2-CD2 3.75Å; E189-H209 IonicContact OE2-CE1 3.66Å; E189-H209 IonicContact OE2-NE2 3.67Å; E189-H209 PolarHBondContact OE2-NE2 3.35Å; E189-V213 HydrophobicContact CB-CG1 4.04Å; E189-V213 HydrophobicContact CB-CG2 3.94Å; E189-V213 HydrophobicContact CG-CG1 4.25Å; E189-V213 HydrophobicContact CG-CG2 3.93Å
190M98.3Very high95.6Very high10 Ų1049.3 Ų49.35%0.04924%0.243CC..Hα-helixtrans-59.4-39.7176.3-61.9-45.113700111.6I186 H187 S194 R210 V213 L214 E228I186-M190 HydrophobicContact CG2-CE 3.76Å; I186-M190 HydrophobicContact CG2-CG 4.39Å; I186-M190 WeakPolarHBondContact O-CG 3.38Å; I186-M190 PolarHBondContact O-N 3.05Å; H187-M190 PolarHBondContact O-N 3.26Å; M190-S194 WeakPolarHBondContact O-CB 3.42Å; M190-S194 PolarHBondContact O-N 3.01Å; M190-S194 PolarHBondContact O-OG 3.06Å; M190-R210 HydrophobicContact CE-CG 4.25Å; M190-R210 HydrophobicContact SD-CG 3.37Å; M190-R210 WeakPolarHBondContact SD-CG 3.44Å; M190-R210 PolarHBondContact SD-NE 2.92Å; M190-V213 HydrophobicContact CE-CB 4.04Å; M190-V213 HydrophobicContact CE-CG1 3.5Å; M190-V213 VanDerWaalsContact CE-CG1 3.5Å; M190-L214 HydrophobicContact CE-CD2 3.65Å; M190-L214 HydrophobicContact CE-CG 4.09Å; M190-E228 WeakPolarHBondContact CG-OE1 3.34Å
191K98.3Very high96.2Very high117 Ų11751 Ų5151%0.50925%0.252SS..Hα-helixtrans-64.2-48.4174.9-174.5172.1-177.9171.50111.9H187 Q188 E189 C193 S194 D195H187-K191 PolarHBondContact O-N 3.29Å; H187-K191 VanDerWaalsContact O-N 3.07Å; Q188-K191 PolarHBondContact O-N 3.24Å; E189-K191 VanDerWaalsContact C-N 3.26Å; E189-K191 PolarHBondContact O-N 2.8Å; K191-C193 PolarHBondContact O-N 3.29Å; K191-S194 PolarHBondContact O-N 3.41Å; K191-D195 WeakPolarHBondContact O-CB 3.43Å; K191-D195 VanDerWaalsContact O-CG 3.27Å; K191-D195 PolarHBondContact O-N 3.36Å
192V98.6Very high96.5Very high8 Ų851.5 Ų51.55%0.04826%0.26CS..Hα-helixtrans-63.4-40.9-180172.80000111.9K127 L130 W140 Q188 E189 A196K127-V192 HydrophobicContact CB-CG2 4.27Å; K127-V192 HydrophobicContact CD-CG2 3.93Å; K127-V192 HydrophobicContact CG-CG2 3.88Å; L130-V192 HydrophobicContact CD1-CG1 3.65Å; W140-V192 HydrophobicContact CH2-CG1 3.92Å; W140-V192 HydrophobicContact CZ3-CG1 4.12Å; Q188-V192 WeakPolarHBondContact O-CG2 3.35Å; Q188-V192 PolarHBondContact O-N 3.05Å; E189-V192 PolarHBondContact O-N 3.34Å; V192-A196 WeakPolarHBondContact O-CB 3.37Å; V192-A196 PolarHBondContact O-N 3.07Å
193C98.8Very high96.9Very high2 Ų249.4 Ų49.41%0.01425%0.249CC..Hα-helixtrans-61.1-45.6173.3-74.10000111.9E189 K191 A196 A197 A206 R210E189-C193 WeakPolarHBondContact O-CB 3.47Å; E189-C193 PolarHBondContact O-N 2.99Å; E189-C193 PolarHBondContact O-SG 3.41Å; E189-C193 VanDerWaalsContact O-SG 3.41Å; K191-C193 PolarHBondContact O-N 3.29Å; C193-A196 PolarHBondContact O-N 3.33Å; C193-A197 WeakPolarHBondContact O-CB 3.5Å; C193-A197 PolarHBondContact O-N 3.1Å; C193-A206 PolarHBondContact SG-O 3.3Å; C193-R210 HydrophobicContact CB-CB 4.06Å; C193-R210 HydrophobicContact CB-CG 4.03Å
194S98.2Very high97.2Very high31 Ų3152.2 Ų52.222%0.21725%0.254CS..Hα-helixtrans-64.1-46.2179.1-56.30000111.2M190 K191 A196 A197 C198 R210M190-S194 WeakPolarHBondContact O-CB 3.42Å; M190-S194 PolarHBondContact O-N 3.01Å; M190-S194 PolarHBondContact O-OG 3.06Å; K191-S194 PolarHBondContact O-N 3.41Å; S194-A196 VanDerWaalsContact C-N 3.28Å; S194-A196 PolarHBondContact O-N 3.3Å; S194-A197 PolarHBondContact O-N 3.14Å; S194-C198 PolarHBondContact O-N 3.33Å; S194-C198 PolarHBondContact O-SG 3.45Å; S194-R210 PolarHBondContact OG-NH1 3.47Å
195D98.1Very high97.4Very high53 Ų5349.8 Ų49.828%0.28325%0.248SC..Hα-helixtrans-57.2-40.3176.1-76.8-18.4000111.8K191 R199K191-D195 WeakPolarHBondContact O-CB 3.43Å; K191-D195 VanDerWaalsContact O-CG 3.27Å; K191-D195 PolarHBondContact O-N 3.36Å; D195-R199 WeakPolarHBondContact O-CG 3.39Å; D195-R199 PolarHBondContact O-N 3.34Å; D195-R199 PolarHBondContact O-NH1 3.09Å
196A98.4Very high97.5Very high2 Ų249.7 Ų49.72%0.01725%0.248CC..Hα-helixtrans-76.2-32.5178.300000113.4P134 W140 V192 C193 S194 R199 Y200 N203 A206P134-A196 HydrophobicContact CB-CB 4.1Å; W140-A196 HydrophobicContact CH2-CB 4.03Å; W140-A196 HydrophobicContact CZ2-CB 3.6Å; V192-A196 WeakPolarHBondContact O-CB 3.37Å; V192-A196 PolarHBondContact O-N 3.07Å; C193-A196 PolarHBondContact O-N 3.33Å; S194-A196 VanDerWaalsContact C-N 3.28Å; S194-A196 PolarHBondContact O-N 3.3Å; A196-R199 PolarHBondContact O-N 3.25Å; A196-Y200 PolarHBondContact O-N 3.08Å; A196-N203 PolarHBondContact O-ND2 3.4Å; A196-A206 HydrophobicContact CB-CB 3.98Å
197A97.7Very high97.6Very high4 Ų449.3 Ų49.33%0.03325%0.246CC..Hα-helixtrans-69.3-38173.900000111.7C193 S194 R199 Y200 W207 W235C193-A197 WeakPolarHBondContact O-CB 3.5Å; C193-A197 PolarHBondContact O-N 3.1Å; S194-A197 PolarHBondContact O-N 3.14Å; A197-R199 PolarHBondContact O-N 3.42Å; A197-Y200 CarbonylContact O-C 3.52Å; A197-Y200 PolarHBondContact O-N 2.99Å; A197-W207 HydrophobicContact CB-CZ2 4.07Å; A197-W235 HydrophobicContact CB-CZ2 4.21Å
198C97Very high97.7Very high82 Ų8244.8 Ų44.855%0.55423%0.229SC*.Hα-helixtrans-64.2-26174.5-68.20000113.2S194S194-C198 PolarHBondContact O-N 3.33Å; S194-C198 PolarHBondContact O-SG 3.45Å
199R96.9Very high97.7Very high95 Ų9541.3 Ų41.336%0.35821%0.213SC..Hα-helixtrans-87.6-16.2-179-72.7171.6172.477.2-0.6113.7E31 T131 P134 D195 A196 A197E31-R199 IonicContact OE2-NH2 2.75Å; T131-R199 WeakPolarHBondContact O-CD 3.44Å; T131-R199 PolarHBondContact O-NE 3.16Å; P134-R199 HydrophobicContact CB-CB 4.05Å; P134-R199 HydrophobicContact CG-CB 3.96Å; D195-R199 WeakPolarHBondContact O-CG 3.39Å; D195-R199 PolarHBondContact O-N 3.34Å; D195-R199 PolarHBondContact O-NH1 3.09Å; A196-R199 PolarHBondContact O-N 3.25Å; A197-R199 PolarHBondContact O-N 3.42Å
200Y95.6Very high97.7Very high93 Ų9341.7 Ų41.737%0.36521%0.214SC..SBendtrans-148.4123-179.3-164.9-85.8000111.7K135 A196 A197 N203K135-Y200 HydrophobicContact CD-CD1 3.53Å; K135-Y200 HydrophobicContact CD-CD2 3.82Å; K135-Y200 HydrophobicContact CD-CE1 3.33Å; K135-Y200 HydrophobicContact CD-CE2 3.63Å; K135-Y200 HydrophobicContact CD-CG 3.77Å; K135-Y200 HydrophobicContact CG-CD1 3.74Å; K135-Y200 HydrophobicContact CG-CD2 4.06Å; K135-Y200 HydrophobicContact CG-CE1 4.1Å; K135-Y200 HydrophobicContact CG-CE2 4.38Å; K135-Y200 HydrophobicContact CG-CG 3.72Å; K135-Y200 VanDerWaalsContact NZ-CZ 3.32Å; K135-Y200 PolarHBondContact NZ-OH 2.87Å; A196-Y200 PolarHBondContact O-N 3.08Å; A197-Y200 CarbonylContact O-C 3.52Å; A197-Y200 PolarHBondContact O-N 2.99Å; Y200-N203 HydrophobicContact CD1-CB 4.42Å; Y200-N203 WeakPolarHBondContact O-CB 3.46Å; Y200-N203 PolarHBondContact O-N 3.22Å
201P95.1Very high97.8Very high98 Ų9842.2 Ų42.264%0.63622%0.217SC*.THydrogen-bonded Turntrans-65138-178.428.4-35.1000111N203P201-N203 VanDerWaalsContact C-N 3.3Å; P201-N203 PolarHBondContact O-N 3.08Å
202S94.3Very high97.8Very high44 Ų4438.2 Ų38.231%0.30820%0.199SC..THydrogen-bonded Turntrans52.747.3-178.1-61.80000112.6Y204 D242S202-Y204 VanDerWaalsContact C-N 3.26Å; S202-Y204 PolarHBondContact O-N 3.08Å; S202-D242 WeakPolarHBondContact CA-OD2 3.4Å; S202-D242 PolarHBondContact N-OD2 3.44Å
203N97.8Very high97.8Very high0 Ų037.9 Ų37.90%020%0.197CC..  trans-7181.2178.4-169-15.2000111.7P134 A196 Y200 P201 N205 A206 W207P134-N203 PolarHBondContact O-ND2 3.26Å; A196-N203 PolarHBondContact O-ND2 3.4Å; Y200-N203 HydrophobicContact CD1-CB 4.42Å; Y200-N203 WeakPolarHBondContact O-CB 3.46Å; Y200-N203 PolarHBondContact O-N 3.22Å; P201-N203 VanDerWaalsContact C-N 3.3Å; P201-N203 PolarHBondContact O-N 3.08Å; N203-N205 PolarHBondContact O-N 3.28Å; N203-N205 PolarHBondContact OD1-N 2.94Å; N203-A206 HydrophobicContact CB-CB 4.07Å; N203-A206 PolarHBondContact O-N 2.76Å; N203-A206 VanDerWaalsContact O-N 3.14Å; N203-A206 PolarHBondContact OD1-N 3.3Å; N203-W207 PolarHBondContact O-N 3.17Å; N203-W207 VanDerWaalsContact O-N 3.16Å
204Y97.9Very high97.7Very high141 Ų14137.8 Ų37.855%0.55320%0.196SC*.Hα-helixtrans-53.3-39.7-178.8-178.4-95.5000112.9S202 A206 W207 S208S202-Y204 VanDerWaalsContact C-N 3.26Å; S202-Y204 PolarHBondContact O-N 3.08Å; Y204-A206 PolarHBondContact O-N 2.93Å; Y204-W207 PolarHBondContact O-N 2.89Å; Y204-S208 WeakPolarHBondContact O-CB 3.34Å; Y204-S208 PolarHBondContact O-N 3.39Å
205N98.3Very high97.6Very high44 Ų4440.4 Ų40.424%0.23521%0.205CC..Hα-helixtrans-66.8-39.6-178.4-70.1-27.8000112.3K135 W140 N203 H209K135-N205 PolarHBondContact O-ND2 3.07Å; W140-N205 VanDerWaalsContact CD1-CB 3.49Å; W140-N205 HydrophobicContact CG-CB 4.28Å; N203-N205 PolarHBondContact O-N 3.28Å; N203-N205 PolarHBondContact OD1-N 2.94Å; N205-H209 WeakPolarHBondContact O-CB 3.37Å; N205-H209 PolarHBondContact O-N 3.37Å
206A98.6Very high97.4Very high0 Ų042.3 Ų42.30%021%0.212CC..Hα-helixtrans-66-46.4176.300000111.7W140 C193 A196 N203 Y204 H209 R210W140-A206 HydrophobicContact CH2-CB 4.14Å; W140-A206 HydrophobicContact CZ2-CB 3.65Å; C193-A206 PolarHBondContact SG-O 3.3Å; A196-A206 HydrophobicContact CB-CB 3.98Å; N203-A206 HydrophobicContact CB-CB 4.07Å; N203-A206 PolarHBondContact O-N 2.76Å; N203-A206 VanDerWaalsContact O-N 3.14Å; N203-A206 PolarHBondContact OD1-N 3.3Å; Y204-A206 PolarHBondContact O-N 2.93Å; A206-H209 PolarHBondContact O-N 3.46Å; A206-R210 PolarHBondContact O-N 3.02Å
207W98.7Very high97.2Very high4 Ų442.8 Ų42.82%0.01521%0.214CC..Hα-helixtrans-68.4-40.4178.6-69.9110.9000112.5A197 N203 Y204 H209 R210 I211 V232 W235 Y248A197-W207 HydrophobicContact CB-CZ2 4.07Å; N203-W207 PolarHBondContact O-N 3.17Å; N203-W207 VanDerWaalsContact O-N 3.16Å; Y204-W207 PolarHBondContact O-N 2.89Å; W207-H209 VanDerWaalsContact C-N 3.32Å; W207-H209 PolarHBondContact O-N 3.25Å; W207-R210 WeakPolarHBondContact O-CB 3.47Å; W207-R210 PolarHBondContact O-N 3.22Å; W207-R210 VanDerWaalsContact O-N 3.14Å; W207-I211 WeakPolarHBondContact O-CG1 3.46Å; W207-I211 PolarHBondContact O-N 3.31Å; W207-V232 HydrophobicContact CH2-CG1 4.04Å; W207-V232 HydrophobicContact CZ3-CG1 4.3Å; W207-V232 HydrophobicContact CZ3-CG2 4.38Å; W207-W235 HydrophobicContact CH2-CD2 4.17Å; W207-W235 HydrophobicContact CH2-CE3 4.09Å; W207-W235 HydrophobicContact CH2-CZ3 4.49Å; W207-W235 AromaticContact CZ2-CD2 3.88Å; W207-W235 HydrophobicContact CZ2-CD2 3.88Å; W207-W235 AromaticContact CZ2-CE2 3.88Å; W207-W235 AromaticContact CZ2-CE3 3.75Å; W207-W235 HydrophobicContact CZ2-CE3 3.75Å; W207-W235 AromaticContact CZ2-CH2 3.84Å; W207-W235 HydrophobicContact CZ2-CH2 3.84Å; W207-W235 AromaticContact CZ2-CZ2 3.88Å; W207-W235 HydrophobicContact CZ2-CZ2 3.88Å; W207-W235 AromaticContact CZ2-CZ3 3.74Å; W207-W235 HydrophobicContact CZ2-CZ3 3.74Å; W207-Y248 AromaticContact CE3-CD1 3.84Å; W207-Y248 HydrophobicContact CE3-CD1 3.84Å; W207-Y248 HydrophobicContact CE3-CD2 4.18Å; W207-Y248 AromaticContact CE3-CG 3.58Å; W207-Y248 HydrophobicContact CE3-CG 3.58Å; W207-Y248 AromaticContact CZ3-CD1 3.52Å; W207-Y248 HydrophobicContact CZ3-CD1 3.52Å; W207-Y248 HydrophobicContact CZ3-CE1 4.17Å; W207-Y248 AromaticContact CZ3-CG 3.79Å; W207-Y248 HydrophobicContact CZ3-CG 3.79Å
208S98.7Very high96.9Very high39 Ų3942.7 Ų42.727%0.27321%0.213SC..Hα-helixtrans-61.5-40.5173.7178.60000111.6Y204 I211 W212Y204-S208 WeakPolarHBondContact O-CB 3.34Å; Y204-S208 PolarHBondContact O-N 3.39Å; S208-I211 PolarHBondContact O-N 3.23Å; S208-W212 WeakPolarHBondContact O-CB 3.43Å; S208-W212 PolarHBondContact O-N 3.33Å
209H98.8Very high96.4Very high0 Ų047.4 Ų47.40%022%0.224CC..Hα-helixtrans-63.2-42.1171.9-17576.7000112W140 R144 E189 N205 A206 W207 I211 W212 V213W140-H209 HydrophobicContact CD2-CB 4.13Å; W140-H209 HydrophobicContact CE3-CB 3.6Å; W140-H209 AromaticContact CE3-CD2 3.52Å; W140-H209 AromaticContact CE3-CG 3.37Å; W140-H209 AromaticContact CE3-ND1 3.9Å; W140-H209 HydrophobicContact CZ3-CB 4.04Å; W140-H209 AromaticContact CZ3-CD2 3.44Å; W140-H209 VanDerWaalsContact CZ3-CD2 3.44Å; W140-H209 WeakPolarHBondContact CZ3-CD2 3.24Å; W140-H209 AromaticContact CZ3-CG 3.76Å; R144-H209 WeakPolarHBondContact CG-ND1 3.28Å; E189-H209 IonicContact OE2-CD2 3.75Å; E189-H209 IonicContact OE2-CE1 3.66Å; E189-H209 IonicContact OE2-NE2 3.67Å; E189-H209 PolarHBondContact OE2-NE2 3.35Å; N205-H209 WeakPolarHBondContact O-CB 3.37Å; N205-H209 PolarHBondContact O-N 3.37Å; A206-H209 PolarHBondContact O-N 3.46Å; W207-H209 VanDerWaalsContact C-N 3.32Å; W207-H209 PolarHBondContact O-N 3.25Å; H209-I211 VanDerWaalsContact C-N 3.33Å; H209-I211 PolarHBondContact O-N 3.19Å; H209-W212 WeakPolarHBondContact O-CB 3.25Å; H209-W212 PolarHBondContact O-N 2.85Å; H209-W212 VanDerWaalsContact O-N 3.12Å; H209-V213 WeakPolarHBondContact O-CG2 3.47Å; H209-V213 PolarHBondContact O-N 3.46Å
210R98.7Very high95.7Very high9 Ų945.8 Ų45.83%0.03424%0.238CC..Hα-helixtrans-59.1-42.6176.7-154.6-178.6178.7145.73.5112.2M190 C193 S194 A206 W207 V213 L214 E228 Y248M190-R210 HydrophobicContact CE-CG 4.25Å; M190-R210 HydrophobicContact SD-CG 3.37Å; M190-R210 WeakPolarHBondContact SD-CG 3.44Å; M190-R210 PolarHBondContact SD-NE 2.92Å; C193-R210 HydrophobicContact CB-CB 4.06Å; C193-R210 HydrophobicContact CB-CG 4.03Å; S194-R210 PolarHBondContact OG-NH1 3.47Å; A206-R210 PolarHBondContact O-N 3.02Å; W207-R210 WeakPolarHBondContact O-CB 3.47Å; W207-R210 PolarHBondContact O-N 3.22Å; W207-R210 VanDerWaalsContact O-N 3.14Å; R210-V213 PolarHBondContact O-N 2.95Å; R210-L214 PolarHBondContact O-N 2.74Å; R210-E228 IonicContact CZ-OE2 2.76Å; R210-E228 IonicContact NE-OE2 3.23Å; R210-E228 PolarHBondContact NE-OE2 3.42Å; R210-E228 IonicContact NH2-OE1 2.64Å; R210-E228 PolarHBondContact NH2-OE1 3.41Å; R210-E228 IonicContact NH2-OE2 3.37Å; R210-E228 PolarHBondContact NH2-OE2 2.96Å; R210-Y248 HydrophobicContact CB-CD2 4.39Å; R210-Y248 HydrophobicContact CB-CE2 3.91Å; R210-Y248 VanDerWaalsContact CD-CZ 3.48Å; R210-Y248 HydrophobicContact CG-CE1 4.39Å; R210-Y248 HydrophobicContact CG-CE2 3.79Å; R210-Y248 PolarHBondContact NE-OH 3.18Å
211I98.6Very high95.4Very high21 Ų2144.3 Ų44.311%0.10824%0.236CC..Hα-helixtrans-59.5-51.3171.9-66.9175.7000110.2W207 S208 H209 V213 L214 Q215 Y248 F251W207-I211 WeakPolarHBondContact O-CG1 3.46Å; W207-I211 PolarHBondContact O-N 3.31Å; S208-I211 PolarHBondContact O-N 3.23Å; H209-I211 VanDerWaalsContact C-N 3.33Å; H209-I211 PolarHBondContact O-N 3.19Å; I211-V213 VanDerWaalsContact C-N 3.28Å; I211-V213 PolarHBondContact O-N 3.44Å; I211-L214 PolarHBondContact O-N 3.15Å; I211-L214 VanDerWaalsContact O-N 3.14Å; I211-Q215 HydrophobicContact CG2-CG 4.24Å; I211-Q215 WeakPolarHBondContact O-CG 3.24Å; I211-Q215 PolarHBondContact O-N 2.85Å; I211-Y248 HydrophobicContact CD1-CD2 4.37Å; I211-Y248 HydrophobicContact CG1-CD2 3.54Å; I211-Y248 HydrophobicContact CG1-CE2 3.94Å; I211-F251 HydrophobicContact CB-CD1 4.43Å; I211-F251 HydrophobicContact CB-CE1 4.44Å; I211-F251 HydrophobicContact CD1-CB 4.18Å; I211-F251 HydrophobicContact CD1-CG 4.23Å; I211-F251 HydrophobicContact CG1-CB 4.39Å; I211-F251 HydrophobicContact CG1-CD1 3.88Å; I211-F251 HydrophobicContact CG1-CE1 4.35Å; I211-F251 HydrophobicContact CG1-CG 4.02Å; I211-F251 HydrophobicContact CG2-CD1 4.22Å; I211-F251 HydrophobicContact CG2-CD2 3.88Å; I211-F251 HydrophobicContact CG2-CE1 4.1Å; I211-F251 HydrophobicContact CG2-CE2 3.76Å; I211-F251 HydrophobicContact CG2-CG 4.11Å; I211-F251 HydrophobicContact CG2-CZ 3.87Å
212W98.7Very high95.1Very high33 Ų3341.4 Ų41.413%0.12522%0.215CC..Hα-helixtrans-57.4-42.2-178178.892.3000111.8R144 L147 Q148 S208 H209 Q215 H216R144-W212 HydrophobicContact CB-CD2 4.23Å; R144-W212 HydrophobicContact CB-CE3 4.26Å; R144-W212 HydrophobicContact CB-CH2 4Å; R144-W212 HydrophobicContact CB-CZ2 3.94Å; R144-W212 HydrophobicContact CB-CZ3 4.17Å; R144-W212 VanDerWaalsContact CD-CD2 3.4Å; R144-W212 VanDerWaalsContact CD-CG 3.41Å; R144-W212 HydrophobicContact CG-CD2 3.61Å; R144-W212 HydrophobicContact CG-CE3 3.63Å; R144-W212 HydrophobicContact CG-CG 4.14Å; R144-W212 HydrophobicContact CG-CH2 4.28Å; R144-W212 HydrophobicContact CG-CZ2 4.24Å; R144-W212 HydrophobicContact CG-CZ3 3.99Å; R144-W212 WeakPolarHBondContact O-CH2 3.43Å; L147-W212 HydrophobicContact CB-CH2 4.05Å; L147-W212 HydrophobicContact CB-CZ3 4.03Å; L147-W212 HydrophobicContact CD1-CZ3 3.79Å; Q148-W212 HydrophobicContact CG-CH2 3.75Å; Q148-W212 HydrophobicContact CG-CZ2 3.55Å; S208-W212 WeakPolarHBondContact O-CB 3.43Å; S208-W212 PolarHBondContact O-N 3.33Å; H209-W212 WeakPolarHBondContact O-CB 3.25Å; H209-W212 PolarHBondContact O-N 2.85Å; H209-W212 VanDerWaalsContact O-N 3.12Å; W212-Q215 PolarHBondContact O-N 3.31Å; W212-H216 AromaticContact CD1-CE1 3.31Å; W212-H216 AromaticContact CD1-ND1 3.54Å; W212-H216 AromaticContact CD2-ND1 3.84Å; W212-H216 AromaticContact CE2-CE1 3.81Å; W212-H216 AromaticContact CE2-CG 3.84Å; W212-H216 AromaticContact CE2-ND1 3.6Å; W212-H216 AromaticContact CG-ND1 3.8Å; W212-H216 HydrophobicContact CH2-CB 4.48Å; W212-H216 HydrophobicContact CZ2-CB 4.34Å; W212-H216 AromaticContact CZ2-CG 4Å; W212-H216 AromaticContact NE1-CE1 3.15Å; W212-H216 PolarHBondContact NE1-CE1 3.43Å; W212-H216 AromaticContact NE1-CG 3.95Å; W212-H216 AromaticContact NE1-ND1 3.4Å; W212-H216 PolarHBondContact NE1-ND1 2.96Å; W212-H216 AromaticContact NE1-NE2 3.51Å; W212-H216 PolarHBondContact O-N 3.31Å; W212-H216 VanDerWaalsContact O-N 3.13Å; W212-H216 PolarHBondContact O-ND1 2.87Å
213V98.5Very high95Very high0 Ų045.8 Ų45.80%023%0.228CC..Hα-helixtrans-58.7-50.2176.9169.60000110.2L147 I186 E189 M190 H209 R210 I211 Q215 H216 M217L147-V213 HydrophobicContact CD1-CG2 4.18Å; I186-V213 HydrophobicContact CG1-CG1 4.43Å; E189-V213 HydrophobicContact CB-CG1 4.04Å; E189-V213 HydrophobicContact CB-CG2 3.94Å; E189-V213 HydrophobicContact CG-CG1 4.25Å; E189-V213 HydrophobicContact CG-CG2 3.93Å; M190-V213 HydrophobicContact CE-CB 4.04Å; M190-V213 HydrophobicContact CE-CG1 3.5Å; M190-V213 VanDerWaalsContact CE-CG1 3.5Å; H209-V213 WeakPolarHBondContact O-CG2 3.47Å; H209-V213 PolarHBondContact O-N 3.46Å; R210-V213 PolarHBondContact O-N 2.95Å; I211-V213 VanDerWaalsContact C-N 3.28Å; I211-V213 PolarHBondContact O-N 3.44Å; V213-Q215 PolarHBondContact O-N 3.33Å; V213-H216 PolarHBondContact O-N 3.35Å; V213-M217 HydrophobicContact CG1-CB 4.36Å; V213-M217 HydrophobicContact CG1-CG 4.49Å; V213-M217 HydrophobicContact CG1-SD 3.92Å; V213-M217 WeakPolarHBondContact O-CA 3.35Å; V213-M217 WeakPolarHBondContact O-CB 3.42Å; V213-M217 PolarHBondContact O-N 3.12Å
214L96.8Very high94.8Very high0 Ų046.8 Ų46.80%023%0.234CC..Hα-helixtrans-61.9-42.2179.6-67.8-170.7000112.6M190 R210 I211 H216 A218 K219 V224 F225 E228 Y248 F251 L252M190-L214 HydrophobicContact CE-CD2 3.65Å; M190-L214 HydrophobicContact CE-CG 4.09Å; R210-L214 PolarHBondContact O-N 2.74Å; I211-L214 PolarHBondContact O-N 3.15Å; I211-L214 VanDerWaalsContact O-N 3.14Å; L214-H216 VanDerWaalsContact C-N 3.27Å; L214-H216 PolarHBondContact O-N 2.9Å; L214-A218 HydrophobicContact CB-CB 4.47Å; L214-A218 HydrophobicContact CD2-CB 3.77Å; L214-A218 CarbonylContact O-C 3.42Å; L214-A218 WeakPolarHBondContact O-CA 3.45Å; L214-A218 PolarHBondContact O-N 3.37Å; L214-K219 PolarHBondContact O-N 2.88Å; L214-V224 HydrophobicContact CD2-CG1 3.64Å; L214-F225 HydrophobicContact CB-CE1 3.94Å; L214-F225 HydrophobicContact CB-CZ 4.11Å; L214-F225 HydrophobicContact CD1-CD1 4.04Å; L214-F225 HydrophobicContact CD1-CE1 3.93Å; L214-E228 HydrophobicContact CD1-CG 4.31Å; L214-E228 HydrophobicContact CD2-CG 4.48Å; L214-Y248 HydrophobicContact CD1-CE2 4.23Å; L214-Y248 WeakPolarHBondContact CD1-OH 3.31Å; L214-F251 HydrophobicContact CB-CE1 4.17Å; L214-F251 HydrophobicContact CB-CZ 4.41Å; L214-F251 HydrophobicContact CD1-CE1 4.01Å; L214-L252 HydrophobicContact CD1-CD2 3.54Å
215Q95.6Very high94.7Very high86 Ų8640.2 Ų40.240%0.40221%0.209SC..Hα-helixtrans-63-30.8179.8-72.5179.6-32.800113.8I211 W212 V213 F251I211-Q215 HydrophobicContact CG2-CG 4.24Å; I211-Q215 WeakPolarHBondContact O-CG 3.24Å; I211-Q215 PolarHBondContact O-N 2.85Å; W212-Q215 PolarHBondContact O-N 3.31Å; V213-Q215 PolarHBondContact O-N 3.33Å; Q215-F251 HydrophobicContact CG-CE2 3.89Å; Q215-F251 HydrophobicContact CG-CZ 3.76Å
216H94.4Very high94.5Very high93 Ų9342.2 Ų42.243%0.43121%0.213SC..Hα-helixtrans-105.6-25.9-173.9-64.675.7000113.5W212 V213 L214W212-H216 AromaticContact CD1-CE1 3.31Å; W212-H216 AromaticContact CD1-ND1 3.54Å; W212-H216 AromaticContact CD2-ND1 3.84Å; W212-H216 AromaticContact CE2-CE1 3.81Å; W212-H216 AromaticContact CE2-CG 3.84Å; W212-H216 AromaticContact CE2-ND1 3.6Å; W212-H216 AromaticContact CG-ND1 3.8Å; W212-H216 HydrophobicContact CH2-CB 4.48Å; W212-H216 HydrophobicContact CZ2-CB 4.34Å; W212-H216 AromaticContact CZ2-CG 4Å; W212-H216 AromaticContact NE1-CE1 3.15Å; W212-H216 PolarHBondContact NE1-CE1 3.43Å; W212-H216 AromaticContact NE1-CG 3.95Å; W212-H216 AromaticContact NE1-ND1 3.4Å; W212-H216 PolarHBondContact NE1-ND1 2.96Å; W212-H216 AromaticContact NE1-NE2 3.51Å; W212-H216 PolarHBondContact O-N 3.31Å; W212-H216 VanDerWaalsContact O-N 3.13Å; W212-H216 PolarHBondContact O-ND1 2.87Å; V213-H216 PolarHBondContact O-N 3.35Å; L214-H216 VanDerWaalsContact C-N 3.27Å; L214-H216 PolarHBondContact O-N 2.9Å
217M94Very high94.4Very high12 Ų1246 Ų466%0.05923%0.233CC..Hα-helixtrans-114.7-24.6-172.2-58.8179.767.600112.9L147 L151 L182 L185 I186 V213L147-M217 HydrophobicContact CB-SD 4.32Å; L147-M217 HydrophobicContact CD1-SD 4.25Å; L147-M217 HydrophobicContact CD2-CE 4.32Å; L147-M217 HydrophobicContact CD2-SD 4.33Å; L151-M217 HydrophobicContact CD1-CG 3.95Å; L182-M217 HydrophobicContact CD1-CB 4.04Å; L182-M217 HydrophobicContact CD1-CE 3.55Å; L182-M217 HydrophobicContact CD1-CG 4.42Å; L182-M217 WeakPolarHBondContact CD2-O 3.44Å; L185-M217 HydrophobicContact CB-CE 3.78Å; L185-M217 HydrophobicContact CD1-CE 4.16Å; I186-M217 HydrophobicContact CD1-CB 4.07Å; I186-M217 HydrophobicContact CG1-CB 3.88Å; I186-M217 HydrophobicContact CG1-CE 4.3Å; V213-M217 HydrophobicContact CG1-CB 4.36Å; V213-M217 HydrophobicContact CG1-CG 4.49Å; V213-M217 HydrophobicContact CG1-SD 3.92Å; V213-M217 WeakPolarHBondContact O-CA 3.35Å; V213-M217 WeakPolarHBondContact O-CB 3.42Å; V213-M217 PolarHBondContact O-N 3.12Å
218A91.8Very high94.3Very high3 Ų346.8 Ų46.83%0.02524%0.237CC..SBendtrans-115.913.5-178.300000113.3I186 L214 G220 N221 V224 F225I186-A218 HydrophobicContact CD1-CB 4.15Å; L214-A218 HydrophobicContact CB-CB 4.47Å; L214-A218 HydrophobicContact CD2-CB 3.77Å; L214-A218 CarbonylContact O-C 3.42Å; L214-A218 WeakPolarHBondContact O-CA 3.45Å; L214-A218 PolarHBondContact O-N 3.37Å; A218-G220 PolarHBondContact O-N 2.94Å; A218-N221 WeakPolarHBondContact O-CB 3.32Å; A218-N221 PolarHBondContact O-N 3.45Å; A218-V224 HydrophobicContact CB-CB 4.22Å; A218-V224 HydrophobicContact CB-CG1 3.84Å; A218-F225 WeakPolarHBondContact O-CE2 3.4Å
219K86.3Confident94.2Very high180 Ų18045.5 Ų45.578%0.78323%0.227SC*.THydrogen-bonded Turntrans-55.9126.1-174.9-170.5177.5-179.9-178.80111.3L214 N221L214-K219 PolarHBondContact O-N 2.88Å; K219-N221 PolarHBondContact O-N 2.98Å
220G82.9Confident94.2Very high62 Ų6249.7 Ų49.764%0.63926%0.256SS*.THydrogen-bonded Turntrans79.5-5.7-178.400000115A218 I222A218-G220 PolarHBondContact O-N 2.94Å; G220-I222 PolarHBondContact O-N 2.89Å
221N89.2Confident94.1Very high61 Ų6152.2 Ų52.233%0.32628%0.275SS..  trans-89.381.4176.9-169.4-20.2000111A218 K219 K223 V224 F225A218-N221 WeakPolarHBondContact O-CB 3.32Å; A218-N221 PolarHBondContact O-N 3.45Å; K219-N221 PolarHBondContact O-N 2.98Å; N221-K223 PolarHBondContact O-N 3.2Å; N221-K223 VanDerWaalsContact O-N 3.13Å; N221-K223 PolarHBondContact OD1-N 3.33Å; N221-V224 HydrophobicContact CB-CB 4.43Å; N221-V224 HydrophobicContact CB-CG2 4.18Å; N221-V224 WeakPolarHBondContact ND2-CG2 3.43Å; N221-V224 PolarHBondContact O-N 2.91Å; N221-V224 PolarHBondContact OD1-N 3.41Å; N221-F225 VanDerWaalsContact O-CD2 3.25Å; N221-F225 WeakPolarHBondContact O-CD2 3.46Å; N221-F225 PolarHBondContact O-N 3.43Å
222I89.4Confident94Very high38 Ų3851.3 Ų51.320%0.19527%0.27CS..Hα-helixtrans-52.4-37.5-178.1-57.9171.1000112.1G220 V224 F225 R226 L256 T259G220-I222 PolarHBondContact O-N 2.89Å; I222-V224 VanDerWaalsContact C-N 3.31Å; I222-V224 PolarHBondContact O-N 3.25Å; I222-F225 PolarHBondContact O-N 2.9Å; I222-R226 HydrophobicContact CG2-CG 4.28Å; I222-R226 PolarHBondContact O-N 3.21Å; I222-L256 HydrophobicContact CG2-CD2 3.84Å; I222-T259 HydrophobicContact CD1-CG2 3.34Å; I222-T259 HydrophobicContact CG1-CG2 3.47Å; I222-T259 VanDerWaalsContact CG1-CG2 3.47Å
223K91.4Very high94Very high135 Ų13553.6 Ų53.659%0.58728%0.283SS*.Hα-helixtrans-58.9-44.3-179.7-177.5-178.7177.4-65.30111N221 F225 R226 D227N221-K223 PolarHBondContact O-N 3.2Å; N221-K223 VanDerWaalsContact O-N 3.13Å; N221-K223 PolarHBondContact OD1-N 3.33Å; K223-F225 VanDerWaalsContact C-N 3.33Å; K223-F225 PolarHBondContact O-N 3.33Å; K223-R226 PolarHBondContact O-N 3Å; K223-D227 IonicContact NZ-OD2 3.1Å; K223-D227 PolarHBondContact NZ-OD2 2.78Å; K223-D227 WeakPolarHBondContact O-CB 3.4Å; K223-D227 PolarHBondContact O-N 3.15Å
224V93.8Very high93.9Very high21 Ų2157 Ų5713%0.12731%0.305CS..Hα-helixtrans-61.5-41.9177.8173.90000111.3I186 L214 A218 N221 I222 D227 E228I186-V224 HydrophobicContact CG2-CG1 4.41Å; L214-V224 HydrophobicContact CD2-CG1 3.64Å; A218-V224 HydrophobicContact CB-CB 4.22Å; A218-V224 HydrophobicContact CB-CG1 3.84Å; N221-V224 HydrophobicContact CB-CB 4.43Å; N221-V224 HydrophobicContact CB-CG2 4.18Å; N221-V224 WeakPolarHBondContact ND2-CG2 3.43Å; N221-V224 PolarHBondContact O-N 2.91Å; N221-V224 PolarHBondContact OD1-N 3.41Å; I222-V224 VanDerWaalsContact C-N 3.31Å; I222-V224 PolarHBondContact O-N 3.25Å; V224-D227 PolarHBondContact O-N 2.64Å; V224-E228 HydrophobicContact CG1-CG 4.42Å; V224-E228 VanDerWaalsContact O-CB 3.31Å; V224-E228 WeakPolarHBondContact O-CB 3.13Å; V224-E228 WeakPolarHBondContact O-CG 3.3Å; V224-E228 PolarHBondContact O-N 2.74Å
225F95.5Very high94Very high4 Ų458.2 Ų58.22%0.01831%0.309CS..Hα-helixtrans-65.2-39.4177-69.3-87.3000112.7L214 A218 N221 I222 K223 L229 F251 L252 E255 L256L214-F225 HydrophobicContact CB-CE1 3.94Å; L214-F225 HydrophobicContact CB-CZ 4.11Å; L214-F225 HydrophobicContact CD1-CD1 4.04Å; L214-F225 HydrophobicContact CD1-CE1 3.93Å; A218-F225 WeakPolarHBondContact O-CE2 3.4Å; N221-F225 VanDerWaalsContact O-CD2 3.25Å; N221-F225 WeakPolarHBondContact O-CD2 3.46Å; N221-F225 PolarHBondContact O-N 3.43Å; I222-F225 PolarHBondContact O-N 2.9Å; K223-F225 VanDerWaalsContact C-N 3.33Å; K223-F225 PolarHBondContact O-N 3.33Å; F225-L229 WeakPolarHBondContact O-CB 3.43Å; F225-L229 PolarHBondContact O-N 3.28Å; F225-F251 AromaticContact CE1-CE1 3.97Å; F225-F251 HydrophobicContact CE1-CE1 3.97Å; F225-F251 AromaticContact CE1-CZ 3.99Å; F225-F251 HydrophobicContact CE1-CZ 3.99Å; F225-L252 HydrophobicContact CD1-CD2 3.74Å; F225-E255 HydrophobicContact CD1-CB 3.81Å; F225-E255 HydrophobicContact CD1-CG 4.31Å; F225-E255 HydrophobicContact CE1-CB 3.72Å; F225-E255 HydrophobicContact CE1-CG 3.78Å; F225-E255 HydrophobicContact CG-CB 4.5Å; F225-E255 HydrophobicContact CZ-CB 4.34Å; F225-E255 HydrophobicContact CZ-CG 4.4Å; F225-L256 HydrophobicContact CB-CD2 3.7Å; F225-L256 HydrophobicContact CB-CG 4.05Å
226R94.2Very high94.1Very high85 Ų8554.1 Ų54.132%0.32129%0.29SS..Hα-helixtrans-66.3-48.5175.5-70.1-172.7-177.7-84.7-1.1111.5I222 K223 E228 L229 S230 L256 E260 T308I222-R226 HydrophobicContact CG2-CG 4.28Å; I222-R226 PolarHBondContact O-N 3.21Å; K223-R226 PolarHBondContact O-N 3Å; R226-E228 VanDerWaalsContact C-N 3.28Å; R226-E228 PolarHBondContact O-N 2.94Å; R226-L229 PolarHBondContact O-N 3.48Å; R226-S230 PolarHBondContact O-N 3.22Å; R226-S230 PolarHBondContact O-OG 3.12Å; R226-L256 HydrophobicContact CG-CD1 4.34Å; R226-L256 HydrophobicContact CG-CD2 3.69Å; R226-E260 IonicContact NH2-OE1 3.24Å; R226-E260 PolarHBondContact NH2-OE1 3.1Å; R226-T308 VanDerWaalsContact NH2-CG2 3.29Å
227D95.5Very high94.2Very high79 Ų7951.3 Ų51.342%0.42228%0.281SS..Hα-helixtrans-59.2-41.5178-68.6-12.8000110.6K223 V224 S230 S231K223-D227 IonicContact NZ-OD2 3.1Å; K223-D227 PolarHBondContact NZ-OD2 2.78Å; K223-D227 WeakPolarHBondContact O-CB 3.4Å; K223-D227 PolarHBondContact O-N 3.15Å; V224-D227 PolarHBondContact O-N 2.64Å; D227-S230 PolarHBondContact O-N 3.11Å; D227-S231 WeakPolarHBondContact O-CB 3.39Å; D227-S231 PolarHBondContact O-N 3.46Å
228E97.4Very high94.4Very high21 Ų2157.4 Ų57.410%0.09831%0.311CS..Hα-helixtrans-64.5-43.7176.3-80.9-67.3109.600112.4M190 R210 L214 V224 R226 S230 S231 V232 Y248 L252M190-E228 WeakPolarHBondContact CG-OE1 3.34Å; R210-E228 IonicContact CZ-OE2 2.76Å; R210-E228 IonicContact NE-OE2 3.23Å; R210-E228 PolarHBondContact NE-OE2 3.42Å; R210-E228 IonicContact NH2-OE1 2.64Å; R210-E228 PolarHBondContact NH2-OE1 3.41Å; R210-E228 IonicContact NH2-OE2 3.37Å; R210-E228 PolarHBondContact NH2-OE2 2.96Å; L214-E228 HydrophobicContact CD1-CG 4.31Å; L214-E228 HydrophobicContact CD2-CG 4.48Å; V224-E228 HydrophobicContact CG1-CG 4.42Å; V224-E228 VanDerWaalsContact O-CB 3.31Å; V224-E228 WeakPolarHBondContact O-CB 3.13Å; V224-E228 WeakPolarHBondContact O-CG 3.3Å; V224-E228 PolarHBondContact O-N 2.74Å; R226-E228 VanDerWaalsContact C-N 3.28Å; R226-E228 PolarHBondContact O-N 2.94Å; E228-S230 VanDerWaalsContact C-N 3.29Å; E228-S230 PolarHBondContact O-N 2.89Å; E228-S231 WeakPolarHBondContact CA-OG 3.44Å; E228-S231 PolarHBondContact O-N 2.94Å; E228-S231 VanDerWaalsContact O-N 3.15Å; E228-S231 PolarHBondContact O-OG 3.31Å; E228-S231 PolarHBondContact OE1-OG 2.81Å; E228-V232 WeakPolarHBondContact O-CG2 3.4Å; E228-V232 PolarHBondContact O-N 3.13Å; E228-Y248 PolarHBondContact OE2-OH 3.49Å; E228-L252 HydrophobicContact CB-CD1 4.04Å; E228-L252 HydrophobicContact CB-CD2 4.07Å
229L97.3Very high94.7Very high13 Ų1360.4 Ų60.47%0.06832%0.324CS..Hα-helixtrans-61.1-40.5178.2-174.368.7000111.4F225 R226 R249 L252 L253 L256 L312F225-L229 WeakPolarHBondContact O-CB 3.43Å; F225-L229 PolarHBondContact O-N 3.28Å; R226-L229 PolarHBondContact O-N 3.48Å; L229-R249 HydrophobicContact CD1-CB 4.33Å; L229-R249 HydrophobicContact CD1-CG 4.5Å; L229-R249 PolarHBondContact O-NH1 3.14Å; L229-L252 HydrophobicContact CB-CD1 4.01Å; L229-L252 HydrophobicContact CD1-CB 4.15Å; L229-L252 HydrophobicContact CD1-CD1 4.08Å; L229-L253 HydrophobicContact CD1-CD2 4.42Å; L229-L253 HydrophobicContact CD1-CG 4.46Å; L229-L253 HydrophobicContact CD2-CD2 3.96Å; L229-L256 HydrophobicContact CD2-CD1 4.07Å; L229-L312 HydrophobicContact CD2-CD1 3.36Å
230S97.2Very high95.2Very high87 Ų8752.5 Ų52.561%0.60829%0.291SS*.Hα-helixtrans-67.3-43.4173.1-64.10000112.1R226 D227 E228 V232 H233R226-S230 PolarHBondContact O-N 3.22Å; R226-S230 PolarHBondContact O-OG 3.12Å; D227-S230 PolarHBondContact O-N 3.11Å; E228-S230 VanDerWaalsContact C-N 3.29Å; E228-S230 PolarHBondContact O-N 2.89Å; S230-V232 VanDerWaalsContact C-N 3.34Å; S230-V232 PolarHBondContact O-N 3.12Å; S230-H233 WeakPolarHBondContact O-CB 3.5Å; S230-H233 PolarHBondContact O-N 3.2Å
231S97.2Very high96Very high62 Ų6252.6 Ų52.643%0.43428%0.282SS..Hα-helixtrans-66.9-31.9-176.879.20000113.8D227 E228 P234D227-S231 WeakPolarHBondContact O-CB 3.39Å; D227-S231 PolarHBondContact O-N 3.46Å; E228-S231 WeakPolarHBondContact CA-OG 3.44Å; E228-S231 PolarHBondContact O-N 2.94Å; E228-S231 VanDerWaalsContact O-N 3.15Å; E228-S231 PolarHBondContact O-OG 3.31Å; E228-S231 PolarHBondContact OE1-OG 2.81Å; S231-P234 WeakPolarHBondContact O-CD 3.37Å
232V97.2Very high96.4Very high2 Ų250 Ų501%0.01227%0.268CS..Hα-helixtrans-85-13.1-178.9175.20000112W207 E228 S230 W235 V236 Y248 R249W207-V232 HydrophobicContact CH2-CG1 4.04Å; W207-V232 HydrophobicContact CZ3-CG1 4.3Å; W207-V232 HydrophobicContact CZ3-CG2 4.38Å; E228-V232 WeakPolarHBondContact O-CG2 3.4Å; E228-V232 PolarHBondContact O-N 3.13Å; S230-V232 VanDerWaalsContact C-N 3.34Å; S230-V232 PolarHBondContact O-N 3.12Å; V232-W235 WeakPolarHBondContact O-CB 3.39Å; V232-W235 PolarHBondContact O-N 3.35Å; V232-W235 VanDerWaalsContact O-N 3.12Å; V232-V236 HydrophobicContact CG1-CG1 4.06Å; V232-V236 PolarHBondContact O-N 3.34Å; V232-V236 VanDerWaalsContact O-N 3.09Å; V232-Y248 HydrophobicContact CG1-CD1 4.4Å; V232-Y248 HydrophobicContact CG2-CD1 4.04Å; V232-Y248 HydrophobicContact CG2-CE1 3.86Å; V232-R249 HydrophobicContact CG1-CG 4.1Å
233H97.5Very high96.8Very high82 Ų8252.3 Ų52.338%0.3828%0.278SS..Hα-helixtrans-56.1-53179.9171.7107.3000112.7S230 W235 V236 S237S230-H233 WeakPolarHBondContact O-CB 3.5Å; S230-H233 PolarHBondContact O-N 3.2Å; H233-W235 PolarHBondContact O-N 3.49Å; H233-V236 VanDerWaalsContact O-CG2 3.24Å; H233-V236 WeakPolarHBondContact O-CG2 3.47Å; H233-V236 PolarHBondContact O-N 3.42Å; H233-S237 PolarHBondContact O-N 3.43Å; H233-S237 PolarHBondContact O-OG 3.12Å; H233-S237 VanDerWaalsContact O-OG 3.11Å
234P97.9Very high97.1Very high72 Ų7246.5 Ų46.547%0.46825%0.254SS..Hα-helixtrans-59.9-32.6177.5-22.933.8000112.9S231 M238S231-P234 WeakPolarHBondContact O-CD 3.37Å; P234-M238 WeakPolarHBondContact O-CE 3.22Å; P234-M238 WeakPolarHBondContact O-CG 3.46Å; P234-M238 PolarHBondContact O-N 2.98Å
235W97.5Very high97.3Very high25 Ų2545.5 Ų45.510%0.09525%0.248CC..Hα-helixtrans-65.7-50.1-179.1-170.797000111.2A197 W207 V232 H233 S237 M238 H239 D242A197-W235 HydrophobicContact CB-CZ2 4.21Å; W207-W235 HydrophobicContact CH2-CD2 4.17Å; W207-W235 HydrophobicContact CH2-CE3 4.09Å; W207-W235 HydrophobicContact CH2-CZ3 4.49Å; W207-W235 AromaticContact CZ2-CD2 3.88Å; W207-W235 HydrophobicContact CZ2-CD2 3.88Å; W207-W235 AromaticContact CZ2-CE2 3.88Å; W207-W235 AromaticContact CZ2-CE3 3.75Å; W207-W235 HydrophobicContact CZ2-CE3 3.75Å; W207-W235 AromaticContact CZ2-CH2 3.84Å; W207-W235 HydrophobicContact CZ2-CH2 3.84Å; W207-W235 AromaticContact CZ2-CZ2 3.88Å; W207-W235 HydrophobicContact CZ2-CZ2 3.88Å; W207-W235 AromaticContact CZ2-CZ3 3.74Å; W207-W235 HydrophobicContact CZ2-CZ3 3.74Å; V232-W235 WeakPolarHBondContact O-CB 3.39Å; V232-W235 PolarHBondContact O-N 3.35Å; V232-W235 VanDerWaalsContact O-N 3.12Å; H233-W235 PolarHBondContact O-N 3.49Å; W235-S237 VanDerWaalsContact C-N 3.28Å; W235-S237 PolarHBondContact O-N 3.41Å; W235-M238 PolarHBondContact O-N 3.27Å; W235-M238 VanDerWaalsContact O-N 3.11Å; W235-H239 AromaticContact CD1-CE1 3.99Å; W235-H239 HydrophobicContact CD2-CB 4.38Å; W235-H239 AromaticContact CD2-ND1 3.64Å; W235-H239 AromaticContact CE2-CE1 3.72Å; W235-H239 AromaticContact CE2-CG 3.77Å; W235-H239 AromaticContact CE2-ND1 3.47Å; W235-H239 HydrophobicContact CE3-CB 4.02Å; W235-H239 AromaticContact CG-ND1 3.98Å; W235-H239 HydrophobicContact CH2-CB 3.35Å; W235-H239 AromaticContact CH2-CG 3.58Å; W235-H239 HydrophobicContact CZ2-CB 3.87Å; W235-H239 AromaticContact CZ2-CD2 3.7Å; W235-H239 AromaticContact CZ2-CG 3.51Å; W235-H239 AromaticContact CZ2-ND1 3.73Å; W235-H239 HydrophobicContact CZ3-CB 3.48Å; W235-H239 VanDerWaalsContact CZ3-CB 3.48Å; W235-H239 AromaticContact NE1-CE1 3.61Å; W235-H239 AromaticContact NE1-ND1 3.78Å; W235-H239 PolarHBondContact O-N 3.15Å; W235-H239 VanDerWaalsContact O-N 3.1Å; W235-H239 PolarHBondContact O-ND1 3.4Å; W235-D242 HydrophobicContact CH2-CB 3.39Å; W235-D242 VanDerWaalsContact CH2-OD2 3.24Å; W235-D242 WeakPolarHBondContact CH2-OD2 3.46Å; W235-D242 HydrophobicContact CZ3-CB 3.65Å
236V97.9Very high97.5Very high0 Ų045.4 Ų45.40%025%0.248CC..Hα-helixtrans-67.7-29.8-179.8-67.40000112.5V232 H233 M238 H239 V240 F246 R249 L319V232-V236 HydrophobicContact CG1-CG1 4.06Å; V232-V236 PolarHBondContact O-N 3.34Å; V232-V236 VanDerWaalsContact O-N 3.09Å; H233-V236 VanDerWaalsContact O-CG2 3.24Å; H233-V236 WeakPolarHBondContact O-CG2 3.47Å; H233-V236 PolarHBondContact O-N 3.42Å; V236-M238 PolarHBondContact O-N 2.88Å; V236-H239 CarbonylContact O-C 3.38Å; V236-H239 PolarHBondContact O-N 2.98Å; V236-V240 PolarHBondContact O-N 3.21Å; V236-F246 HydrophobicContact CB-CD1 4.43Å; V236-F246 HydrophobicContact CB-CE1 3.92Å; V236-F246 HydrophobicContact CB-CE2 4.12Å; V236-F246 HydrophobicContact CB-CZ 3.74Å; V236-F246 HydrophobicContact CG1-CD1 4.36Å; V236-F246 HydrophobicContact CG1-CE1 4.34Å; V236-F246 HydrophobicContact CG1-CE2 4.47Å; V236-F246 HydrophobicContact CG1-CG 4.48Å; V236-F246 HydrophobicContact CG1-CZ 4.39Å; V236-F246 HydrophobicContact CG2-CE1 4.16Å; V236-F246 HydrophobicContact CG2-CZ 4.33Å; V236-R249 HydrophobicContact CG1-CG 4.32Å; V236-L319 HydrophobicContact CG2-CD2 4.21Å
237S97.9Very high97.7Very high34 Ų3445.3 Ų45.324%0.23825%0.251CS..Hα-helixtrans-65.7-25.4174-57.20000113H233 W235H233-S237 PolarHBondContact O-N 3.43Å; H233-S237 PolarHBondContact O-OG 3.12Å; H233-S237 VanDerWaalsContact O-OG 3.11Å; W235-S237 VanDerWaalsContact C-N 3.28Å; W235-S237 PolarHBondContact O-N 3.41Å
238M97.4Very high97.8Very high140 Ų14041.6 Ų41.669%0.6923%0.231SC*.Hα-helixtrans-94.6-12.3174.5-64.5-175.7-65.300113.5P234 W235 V236P234-M238 WeakPolarHBondContact O-CE 3.22Å; P234-M238 WeakPolarHBondContact O-CG 3.46Å; P234-M238 PolarHBondContact O-N 2.98Å; W235-M238 PolarHBondContact O-N 3.27Å; W235-M238 VanDerWaalsContact O-N 3.11Å; V236-M238 PolarHBondContact O-N 2.88Å
239H97.8Very high97.9Very high65 Ų6540.8 Ų40.830%0.30123%0.227SC..  trans-131.356.9-173.5-58.384.9000110.9W235 V236 S241 D242W235-H239 AromaticContact CD1-CE1 3.99Å; W235-H239 HydrophobicContact CD2-CB 4.38Å; W235-H239 AromaticContact CD2-ND1 3.64Å; W235-H239 AromaticContact CE2-CE1 3.72Å; W235-H239 AromaticContact CE2-CG 3.77Å; W235-H239 AromaticContact CE2-ND1 3.47Å; W235-H239 HydrophobicContact CE3-CB 4.02Å; W235-H239 AromaticContact CG-ND1 3.98Å; W235-H239 HydrophobicContact CH2-CB 3.35Å; W235-H239 AromaticContact CH2-CG 3.58Å; W235-H239 HydrophobicContact CZ2-CB 3.87Å; W235-H239 AromaticContact CZ2-CD2 3.7Å; W235-H239 AromaticContact CZ2-CG 3.51Å; W235-H239 AromaticContact CZ2-ND1 3.73Å; W235-H239 HydrophobicContact CZ3-CB 3.48Å; W235-H239 VanDerWaalsContact CZ3-CB 3.48Å; W235-H239 AromaticContact NE1-CE1 3.61Å; W235-H239 AromaticContact NE1-ND1 3.78Å; W235-H239 PolarHBondContact O-N 3.15Å; W235-H239 VanDerWaalsContact O-N 3.1Å; W235-H239 PolarHBondContact O-ND1 3.4Å; V236-H239 CarbonylContact O-C 3.38Å; V236-H239 PolarHBondContact O-N 2.98Å; H239-S241 PolarHBondContact O-N 2.87Å; H239-S241 VanDerWaalsContact O-N 3.08Å; H239-D242 HydrophobicContact CB-CB 4.12Å; H239-D242 WeakPolarHBondContact O-CB 3.27Å; H239-D242 PolarHBondContact O-N 3.2Å
240V98.1Very high97.9Very high15 Ų1541.4 Ų41.49%0.09123%0.229CC..THydrogen-bonded Turntrans-60.9-21.2-171.6-64.60000115.1V236 L323 F327 T332 L333V236-V240 PolarHBondContact O-N 3.21Å; V240-L323 HydrophobicContact CG1-CD1 4.46Å; V240-L323 HydrophobicContact CG1-CD2 4.06Å; V240-F327 HydrophobicContact CG1-CB 4.43Å; V240-F327 HydrophobicContact CG1-CD2 3.67Å; V240-F327 HydrophobicContact CG1-CE2 4.1Å; V240-F327 HydrophobicContact CG1-CG 4.09Å; V240-F327 HydrophobicContact CG2-CB 4.16Å; V240-F327 HydrophobicContact CG2-CG 4.29Å; V240-T332 WeakPolarHBondContact O-CB 3.33Å; V240-L333 HydrophobicContact CB-CD1 4.31Å; V240-L333 HydrophobicContact CB-CD2 4.15Å; V240-L333 HydrophobicContact CB-CG 4.48Å
241S97.9Very high98Very high63 Ų6338.2 Ų38.244%0.44120%0.204SC..THydrogen-bonded Turntrans-90.50.1175.1-540000114.4H239 H243 H330 T332H239-S241 PolarHBondContact O-N 2.87Å; H239-S241 VanDerWaalsContact O-N 3.08Å; S241-H243 PolarHBondContact O-N 3.28Å; S241-H330 PolarHBondContact OG-CE1 3.46Å; S241-H330 PolarHBondContact OG-ND1 3.14Å; S241-T332 WeakPolarHBondContact CA-OG1 3.47Å; S241-T332 PolarHBondContact O-OG1 2.92Å
242D98.2Very high98Very high6 Ų635.2 Ų35.23%0.03218%0.184CC..  trans-86.794.5-175.2-164.5-53.7000112S202 W235 H239 S244 G245 F246S202-D242 WeakPolarHBondContact CA-OD2 3.4Å; S202-D242 PolarHBondContact N-OD2 3.44Å; W235-D242 HydrophobicContact CH2-CB 3.39Å; W235-D242 VanDerWaalsContact CH2-OD2 3.24Å; W235-D242 WeakPolarHBondContact CH2-OD2 3.46Å; W235-D242 HydrophobicContact CZ3-CB 3.65Å; H239-D242 HydrophobicContact CB-CB 4.12Å; H239-D242 WeakPolarHBondContact O-CB 3.27Å; H239-D242 PolarHBondContact O-N 3.2Å; D242-S244 PolarHBondContact O-N 2.91Å; D242-S244 WeakPolarHBondContact OD1-CA 3.37Å; D242-S244 VanDerWaalsContact OD1-CB 3.3Å; D242-S244 WeakPolarHBondContact OD1-CB 3.37Å; D242-S244 PolarHBondContact OD1-N 2.88Å; D242-G245 PolarHBondContact O-N 3.05Å; D242-G245 PolarHBondContact OD1-N 2.83Å; D242-F246 WeakPolarHBondContact O-CD2 3.09Å; D242-F246 PolarHBondContact O-N 2.73Å
243H97.6Very high97.9Very high88 Ų8835.1 Ų35.141%0.40718%0.183SC..Hα-helixtrans-58.9-30.8176.7-68.9-92.3000113.3S241 H247 T332S241-H243 PolarHBondContact O-N 3.28Å; H243-H247 WeakPolarHBondContact O-CB 3.42Å; H243-H247 PolarHBondContact O-N 3.37Å; H243-T332 HydrophobicContact CB-CG2 4.25Å; H243-T332 PolarHBondContact CD2-OG1 3.37Å; H243-T332 WeakPolarHBondContact CE1-CA 3.48Å; H243-T332 PolarHBondContact CE1-OG1 3.4Å; H243-T332 PolarHBondContact NE2-OG1 2.85Å
244S98.3Very high97.8Very high12 Ų1236.2 Ų36.28%0.08419%0.187CC..Hα-helixtrans-74.2-37.9-177.7-59.30000111.7D242 H247 Y248D242-S244 PolarHBondContact O-N 2.91Å; D242-S244 WeakPolarHBondContact OD1-CA 3.37Å; D242-S244 VanDerWaalsContact OD1-CB 3.3Å; D242-S244 WeakPolarHBondContact OD1-CB 3.37Å; D242-S244 PolarHBondContact OD1-N 2.88Å; S244-H247 PolarHBondContact O-N 2.59Å; S244-Y248 PolarHBondContact O-N 3.42Å
245G98.2Very high97.6Very high0 Ų035.2 Ų35.20%018%0.176CC..Hα-helixtrans-65.2-44.8173.500000112.1D242 Y248 R249D242-G245 PolarHBondContact O-N 3.05Å; D242-G245 PolarHBondContact OD1-N 2.83Å; G245-Y248 WeakPolarHBondContact O-CB 3.43Å; G245-Y248 PolarHBondContact O-N 3.47Å; G245-R249 PolarHBondContact O-N 3.19Å; G245-R249 VanDerWaalsContact O-N 3.13Å
246F98.6Very high97.3Very high3 Ų334.1 Ų34.11%0.01317%0.172CC..Hα-helixtrans-66.8-36.2174.1-79.7-71.9000113V236 D242 Y248 R249 Q250 L323 T332 L333 H336V236-F246 HydrophobicContact CB-CD1 4.43Å; V236-F246 HydrophobicContact CB-CE1 3.92Å; V236-F246 HydrophobicContact CB-CE2 4.12Å; V236-F246 HydrophobicContact CB-CZ 3.74Å; V236-F246 HydrophobicContact CG1-CD1 4.36Å; V236-F246 HydrophobicContact CG1-CE1 4.34Å; V236-F246 HydrophobicContact CG1-CE2 4.47Å; V236-F246 HydrophobicContact CG1-CG 4.48Å; V236-F246 HydrophobicContact CG1-CZ 4.39Å; V236-F246 HydrophobicContact CG2-CE1 4.16Å; V236-F246 HydrophobicContact CG2-CZ 4.33Å; D242-F246 WeakPolarHBondContact O-CD2 3.09Å; D242-F246 PolarHBondContact O-N 2.73Å; F246-Y248 VanDerWaalsContact C-N 3.3Å; F246-Y248 PolarHBondContact O-N 2.95Å; F246-R249 WeakPolarHBondContact O-CB 3.39Å; F246-R249 PolarHBondContact O-N 3.02Å; F246-Q250 WeakPolarHBondContact O-CG 3.4Å; F246-Q250 PolarHBondContact O-N 3.36Å; F246-L323 HydrophobicContact CE1-CD1 4.26Å; F246-L323 HydrophobicContact CZ-CD1 3.78Å; F246-T332 HydrophobicContact CB-CG2 4.38Å; F246-T332 HydrophobicContact CD2-CG2 3.44Å; F246-T332 VanDerWaalsContact CD2-CG2 3.44Å; F246-T332 HydrophobicContact CE2-CG2 4.06Å; F246-T332 HydrophobicContact CG-CG2 4.21Å; F246-L333 HydrophobicContact CE1-CD2 4.2Å; F246-L333 HydrophobicContact CE2-CD2 3.63Å; F246-L333 HydrophobicContact CZ-CD2 3.36Å; F246-H336 HydrophobicContact CB-CB 4.08Å; F246-H336 HydrophobicContact CD1-CB 3.94Å; F246-H336 AromaticContact CD1-CD2 3.32Å; F246-H336 WeakPolarHBondContact CD1-CD2 3.39Å; F246-H336 AromaticContact CD1-CE1 3.84Å; F246-H336 AromaticContact CD1-CG 3.38Å; F246-H336 AromaticContact CD1-ND1 3.7Å; F246-H336 AromaticContact CD1-NE2 3.63Å; F246-H336 AromaticContact CE1-CD2 3.75Å; F246-H336 HydrophobicContact CG-CB 4.1Å; F246-H336 AromaticContact CG-CG 3.92Å; F246-H336 PolarHBondContact O-ND1 3.31Å
247H98.6Very high97Very high83 Ų8334.7 Ų34.738%0.38418%0.175SC..Hα-helixtrans-62.7-37.2171.8175.1-103.6000112H243 S244 R249 Q250 F251H243-H247 WeakPolarHBondContact O-CB 3.42Å; H243-H247 PolarHBondContact O-N 3.37Å; S244-H247 PolarHBondContact O-N 2.59Å; H247-R249 VanDerWaalsContact C-N 3.34Å; H247-R249 PolarHBondContact O-N 3.34Å; H247-Q250 WeakPolarHBondContact O-CB 3.49Å; H247-Q250 PolarHBondContact O-N 2.91Å; H247-F251 PolarHBondContact O-N 3.42Å
248Y98.8Very high96.4Very high0 Ų036.1 Ų36.10%018%0.18CC..Hα-helixtrans-61.3-42172.9-176.3-111.5000112W207 R210 I211 L214 E228 V232 S244 G245 F246 Q250 F251 L252W207-Y248 AromaticContact CE3-CD1 3.84Å; W207-Y248 HydrophobicContact CE3-CD1 3.84Å; W207-Y248 HydrophobicContact CE3-CD2 4.18Å; W207-Y248 AromaticContact CE3-CG 3.58Å; W207-Y248 HydrophobicContact CE3-CG 3.58Å; W207-Y248 AromaticContact CZ3-CD1 3.52Å; W207-Y248 HydrophobicContact CZ3-CD1 3.52Å; W207-Y248 HydrophobicContact CZ3-CE1 4.17Å; W207-Y248 AromaticContact CZ3-CG 3.79Å; W207-Y248 HydrophobicContact CZ3-CG 3.79Å; R210-Y248 HydrophobicContact CB-CD2 4.39Å; R210-Y248 HydrophobicContact CB-CE2 3.91Å; R210-Y248 VanDerWaalsContact CD-CZ 3.48Å; R210-Y248 HydrophobicContact CG-CE1 4.39Å; R210-Y248 HydrophobicContact CG-CE2 3.79Å; R210-Y248 PolarHBondContact NE-OH 3.18Å; I211-Y248 HydrophobicContact CD1-CD2 4.37Å; I211-Y248 HydrophobicContact CG1-CD2 3.54Å; I211-Y248 HydrophobicContact CG1-CE2 3.94Å; L214-Y248 HydrophobicContact CD1-CE2 4.23Å; L214-Y248 WeakPolarHBondContact CD1-OH 3.31Å; E228-Y248 PolarHBondContact OE2-OH 3.49Å; V232-Y248 HydrophobicContact CG1-CD1 4.4Å; V232-Y248 HydrophobicContact CG2-CD1 4.04Å; V232-Y248 HydrophobicContact CG2-CE1 3.86Å; S244-Y248 PolarHBondContact O-N 3.42Å; G245-Y248 WeakPolarHBondContact O-CB 3.43Å; G245-Y248 PolarHBondContact O-N 3.47Å; F246-Y248 VanDerWaalsContact C-N 3.3Å; F246-Y248 PolarHBondContact O-N 2.95Å; Y248-Q250 PolarHBondContact O-N 3.07Å; Y248-F251 HydrophobicContact CD2-CD1 4.28Å; Y248-F251 HydrophobicContact CE2-CD1 4.18Å; Y248-F251 WeakPolarHBondContact O-CB 3.49Å; Y248-F251 PolarHBondContact O-N 3.37Å; Y248-L252 HydrophobicContact CD1-CD1 3.97Å; Y248-L252 HydrophobicContact CD1-CG 4.4Å; Y248-L252 HydrophobicContact CE1-CD1 3.66Å; Y248-L252 HydrophobicContact CE1-CD2 4.33Å; Y248-L252 HydrophobicContact CE1-CG 4.13Å; Y248-L252 WeakPolarHBondContact O-CG 3Å; Y248-L252 PolarHBondContact O-N 2.86Å
249R98.4Very high95.6Very high5 Ų530.7 Ų30.72%0.01916%0.155CC..Hα-helixtrans-61.8-42.3174-62.5-175.667.575.23.5112.3L229 V232 V236 G245 F246 H247 F251 L252 L253 E316L229-R249 HydrophobicContact CD1-CB 4.33Å; L229-R249 HydrophobicContact CD1-CG 4.5Å; L229-R249 PolarHBondContact O-NH1 3.14Å; V232-R249 HydrophobicContact CG1-CG 4.1Å; V236-R249 HydrophobicContact CG1-CG 4.32Å; G245-R249 PolarHBondContact O-N 3.19Å; G245-R249 VanDerWaalsContact O-N 3.13Å; F246-R249 WeakPolarHBondContact O-CB 3.39Å; F246-R249 PolarHBondContact O-N 3.02Å; H247-R249 VanDerWaalsContact C-N 3.34Å; H247-R249 PolarHBondContact O-N 3.34Å; R249-F251 VanDerWaalsContact C-N 3.31Å; R249-F251 PolarHBondContact O-N 3.18Å; R249-L252 WeakPolarHBondContact O-CB 3.42Å; R249-L252 PolarHBondContact O-N 2.8Å; R249-L252 VanDerWaalsContact O-N 3.14Å; R249-L253 WeakPolarHBondContact O-CG 3.32Å; R249-L253 PolarHBondContact O-N 2.8Å; R249-E316 IonicContact CZ-OE1 3.5Å; R249-E316 IonicContact CZ-OE2 3.98Å; R249-E316 IonicContact NE-OE1 3.15Å; R249-E316 PolarHBondContact NE-OE1 3.02Å; R249-E316 IonicContact NE-OE2 2.88Å; R249-E316 IonicContact NH2-OE1 3.64Å; R249-E316 PolarHBondContact NH2-OE1 3.01Å; R249-E316 IonicContact NH2-OE2 3.32Å; R249-E316 PolarHBondContact NH2-OE2 3.43Å
250Q98.4Very high94.3Very high25 Ų2528.8 Ų28.812%0.11715%0.146CC..Hα-helixtrans-57.9-43.6174.4-66.8167-400111.9F246 H247 Y248 L253 K254 H336 H339F246-Q250 WeakPolarHBondContact O-CG 3.4Å; F246-Q250 PolarHBondContact O-N 3.36Å; H247-Q250 WeakPolarHBondContact O-CB 3.49Å; H247-Q250 PolarHBondContact O-N 2.91Å; Y248-Q250 PolarHBondContact O-N 3.07Å; Q250-L253 PolarHBondContact O-N 3.16Å; Q250-K254 WeakPolarHBondContact O-CB 3.46Å; Q250-K254 PolarHBondContact O-N 2.73Å; Q250-H336 WeakPolarHBondContact CG-ND1 3.42Å; Q250-H336 PolarHBondContact NE2-ND1 3.22Å; Q250-H339 VanDerWaalsContact CD-CG 3.48Å; Q250-H339 HydrophobicContact CG-CB 4.17Å; Q250-H339 WeakPolarHBondContact CG-CD2 3.46Å; Q250-H339 VanDerWaalsContact NE2-CB 3.31Å
251F98Very high92.7Very high20 Ų2031.7 Ų31.79%0.08816%0.16CC..Hα-helixtrans-58.5-47.7173.4163-99.8000111.9I211 L214 Q215 F225 H247 Y248 R249 L253 K254 E255I211-F251 HydrophobicContact CB-CD1 4.43Å; I211-F251 HydrophobicContact CB-CE1 4.44Å; I211-F251 HydrophobicContact CD1-CB 4.18Å; I211-F251 HydrophobicContact CD1-CG 4.23Å; I211-F251 HydrophobicContact CG1-CB 4.39Å; I211-F251 HydrophobicContact CG1-CD1 3.88Å; I211-F251 HydrophobicContact CG1-CE1 4.35Å; I211-F251 HydrophobicContact CG1-CG 4.02Å; I211-F251 HydrophobicContact CG2-CD1 4.22Å; I211-F251 HydrophobicContact CG2-CD2 3.88Å; I211-F251 HydrophobicContact CG2-CE1 4.1Å; I211-F251 HydrophobicContact CG2-CE2 3.76Å; I211-F251 HydrophobicContact CG2-CG 4.11Å; I211-F251 HydrophobicContact CG2-CZ 3.87Å; L214-F251 HydrophobicContact CB-CE1 4.17Å; L214-F251 HydrophobicContact CB-CZ 4.41Å; L214-F251 HydrophobicContact CD1-CE1 4.01Å; Q215-F251 HydrophobicContact CG-CE2 3.89Å; Q215-F251 HydrophobicContact CG-CZ 3.76Å; F225-F251 AromaticContact CE1-CE1 3.97Å; F225-F251 HydrophobicContact CE1-CE1 3.97Å; F225-F251 AromaticContact CE1-CZ 3.99Å; F225-F251 HydrophobicContact CE1-CZ 3.99Å; H247-F251 PolarHBondContact O-N 3.42Å; Y248-F251 HydrophobicContact CD2-CD1 4.28Å; Y248-F251 HydrophobicContact CE2-CD1 4.18Å; Y248-F251 WeakPolarHBondContact O-CB 3.49Å; Y248-F251 PolarHBondContact O-N 3.37Å; R249-F251 VanDerWaalsContact C-N 3.31Å; R249-F251 PolarHBondContact O-N 3.18Å; F251-L253 PolarHBondContact O-N 3.12Å; F251-K254 PolarHBondContact O-N 3.23Å; F251-E255 HydrophobicContact CD2-CG 4.02Å; F251-E255 HydrophobicContact CE1-CG 4.24Å; F251-E255 HydrophobicContact CE2-CG 3.44Å; F251-E255 VanDerWaalsContact CE2-CG 3.44Å; F251-E255 HydrophobicContact CZ-CG 3.57Å; F251-E255 WeakPolarHBondContact O-CG 3.38Å; F251-E255 PolarHBondContact O-N 3.45Å
252L97.6Very high91.1Very high0 Ų032.1 Ų32.10%016%0.163CC..Hα-helixtrans-60.6-45.2178.9-65.5174.5000112.1L214 F225 E228 L229 Y248 R249 K254 E255 L256L214-L252 HydrophobicContact CD1-CD2 3.54Å; F225-L252 HydrophobicContact CD1-CD2 3.74Å; E228-L252 HydrophobicContact CB-CD1 4.04Å; E228-L252 HydrophobicContact CB-CD2 4.07Å; L229-L252 HydrophobicContact CB-CD1 4.01Å; L229-L252 HydrophobicContact CD1-CB 4.15Å; L229-L252 HydrophobicContact CD1-CD1 4.08Å; Y248-L252 HydrophobicContact CD1-CD1 3.97Å; Y248-L252 HydrophobicContact CD1-CG 4.4Å; Y248-L252 HydrophobicContact CE1-CD1 3.66Å; Y248-L252 HydrophobicContact CE1-CD2 4.33Å; Y248-L252 HydrophobicContact CE1-CG 4.13Å; Y248-L252 WeakPolarHBondContact O-CG 3Å; Y248-L252 PolarHBondContact O-N 2.86Å; R249-L252 WeakPolarHBondContact O-CB 3.42Å; R249-L252 PolarHBondContact O-N 2.8Å; R249-L252 VanDerWaalsContact O-N 3.14Å; L252-K254 VanDerWaalsContact C-N 3.31Å; L252-K254 PolarHBondContact O-N 3.01Å; L252-E255 PolarHBondContact O-N 3.45Å; L252-L256 WeakPolarHBondContact O-CB 3.24Å; L252-L256 VanDerWaalsContact O-CG 3.29Å; L252-L256 WeakPolarHBondContact O-CG 3.47Å; L252-L256 PolarHBondContact O-N 2.75Å
253L96.4Very high89.2Confident0 Ų035.7 Ų35.70%018%0.18CC..Hα-helixtrans-59.8-43.3177.1-67.4166.9000111.4L229 R249 Q250 F251 L256 L257 L312 F313 E316 V340L229-L253 HydrophobicContact CD1-CD2 4.42Å; L229-L253 HydrophobicContact CD1-CG 4.46Å; L229-L253 HydrophobicContact CD2-CD2 3.96Å; R249-L253 WeakPolarHBondContact O-CG 3.32Å; R249-L253 PolarHBondContact O-N 2.8Å; Q250-L253 PolarHBondContact O-N 3.16Å; F251-L253 PolarHBondContact O-N 3.12Å; L253-L256 PolarHBondContact O-N 3.38Å; L253-L257 WeakPolarHBondContact O-CB 3.44Å; L253-L257 WeakPolarHBondContact O-CG 3.37Å; L253-L257 PolarHBondContact O-N 3.5Å; L253-L312 HydrophobicContact CD2-CD1 3.87Å; L253-L312 HydrophobicContact CD2-CD2 3.82Å; L253-L312 HydrophobicContact CD2-CG 3.59Å; L253-F313 HydrophobicContact CB-CZ 4.4Å; L253-E316 HydrophobicContact CD1-CB 4.38Å; L253-E316 HydrophobicContact CD1-CG 3.75Å; L253-V340 HydrophobicContact CD1-CG2 4.07Å
254K94.7Very high86.9Confident105 Ų10533.3 Ų33.346%0.45717%0.173SC..Hα-helixtrans-64.4-42.6178-173.4176.5179.6176.90112.3Q250 F251 L252 L257 N258Q250-K254 WeakPolarHBondContact O-CB 3.46Å; Q250-K254 PolarHBondContact O-N 2.73Å; F251-K254 PolarHBondContact O-N 3.23Å; L252-K254 VanDerWaalsContact C-N 3.31Å; L252-K254 PolarHBondContact O-N 3.01Å; K254-L257 WeakPolarHBondContact O-CB 3.26Å; K254-L257 PolarHBondContact O-N 3.14Å; K254-N258 WeakPolarHBondContact O-CB 3.32Å; K254-N258 PolarHBondContact O-N 3.22Å; K254-N258 PolarHBondContact O-ND2 3.45Å
255E93.5Very high84.6Confident51 Ų5138.5 Ų38.524%0.23820%0.199CC..Hα-helixtrans-67.4-39177.4-70.5-60.912500112.3F225 F251 L252 N258 T259F225-E255 HydrophobicContact CD1-CB 3.81Å; F225-E255 HydrophobicContact CD1-CG 4.31Å; F225-E255 HydrophobicContact CE1-CB 3.72Å; F225-E255 HydrophobicContact CE1-CG 3.78Å; F225-E255 HydrophobicContact CG-CB 4.5Å; F225-E255 HydrophobicContact CZ-CB 4.34Å; F225-E255 HydrophobicContact CZ-CG 4.4Å; F251-E255 HydrophobicContact CD2-CG 4.02Å; F251-E255 HydrophobicContact CE1-CG 4.24Å; F251-E255 HydrophobicContact CE2-CG 3.44Å; F251-E255 VanDerWaalsContact CE2-CG 3.44Å; F251-E255 HydrophobicContact CZ-CG 3.57Å; F251-E255 WeakPolarHBondContact O-CG 3.38Å; F251-E255 PolarHBondContact O-N 3.45Å; L252-E255 PolarHBondContact O-N 3.45Å; E255-N258 PolarHBondContact O-N 2.91Å; E255-T259 PolarHBondContact O-N 3Å; E255-T259 PolarHBondContact O-OG1 3.01Å
256L92.1Very high82.1Confident2 Ų242 Ų421%0.0122%0.223CC..Hα-helixtrans-62.6-45.4173.5-70.5171.3000110.9I222 F225 R226 L229 L252 L253 T259 E260 L312I222-L256 HydrophobicContact CG2-CD2 3.84Å; F225-L256 HydrophobicContact CB-CD2 3.7Å; F225-L256 HydrophobicContact CB-CG 4.05Å; R226-L256 HydrophobicContact CG-CD1 4.34Å; R226-L256 HydrophobicContact CG-CD2 3.69Å; L229-L256 HydrophobicContact CD2-CD1 4.07Å; L252-L256 WeakPolarHBondContact O-CB 3.24Å; L252-L256 VanDerWaalsContact O-CG 3.29Å; L252-L256 WeakPolarHBondContact O-CG 3.47Å; L252-L256 PolarHBondContact O-N 2.75Å; L253-L256 PolarHBondContact O-N 3.38Å; L256-T259 PolarHBondContact O-N 2.95Å; L256-E260 WeakPolarHBondContact O-CG 3.5Å; L256-E260 PolarHBondContact O-N 3.22Å; L256-L312 HydrophobicContact CB-CD2 4.01Å; L256-L312 HydrophobicContact CD1-CD1 4.14Å; L256-L312 HydrophobicContact CD1-CD2 4.06Å
257L90.3Very high79.4Confident11 Ų1145.2 Ų45.26%0.05825%0.247CC..Hα-helixtrans-57.7-50173.8-82.4179.3000112.9L253 K254 T259 E260 L261 V309 F313 L343 W347L253-L257 WeakPolarHBondContact O-CB 3.44Å; L253-L257 WeakPolarHBondContact O-CG 3.37Å; L253-L257 PolarHBondContact O-N 3.5Å; K254-L257 WeakPolarHBondContact O-CB 3.26Å; K254-L257 PolarHBondContact O-N 3.14Å; L257-T259 PolarHBondContact O-N 3.16Å; L257-E260 PolarHBondContact O-N 3.46Å; L257-L261 PolarHBondContact O-N 2.77Å; L257-V309 HydrophobicContact CD2-CB 4.47Å; L257-V309 HydrophobicContact CD2-CG1 3.38Å; L257-V309 HydrophobicContact CD2-CG2 4.24Å; L257-F313 HydrophobicContact CD1-CE2 3.61Å; L257-F313 HydrophobicContact CD1-CZ 3.4Å; L257-F313 VanDerWaalsContact CD1-CZ 3.4Å; L257-F313 HydrophobicContact CD2-CD2 4.49Å; L257-F313 HydrophobicContact CD2-CE2 3.6Å; L257-F313 HydrophobicContact CD2-CZ 4.3Å; L257-F313 HydrophobicContact CG-CE2 3.62Å; L257-F313 HydrophobicContact CG-CZ 3.93Å; L257-L343 HydrophobicContact CD1-CB 4.28Å; L257-W347 HydrophobicContact CD2-CD2 4.27Å; L257-W347 HydrophobicContact CD2-CG 3.96Å
258N86.4Confident76.6Confident64 Ų6446.5 Ų46.534%0.34226%0.257SS..Hα-helixtrans-61.7-33.7-177.9-72.4-18.5000112.1K254 E255 L261 S262K254-N258 WeakPolarHBondContact O-CB 3.32Å; K254-N258 PolarHBondContact O-N 3.22Å; K254-N258 PolarHBondContact O-ND2 3.45Å; E255-N258 PolarHBondContact O-N 2.91Å; N258-L261 PolarHBondContact O-N 3.37Å; N258-S262 WeakPolarHBondContact O-CB 3.28Å; N258-S262 PolarHBondContact O-N 3.45Å; N258-S262 PolarHBondContact O-OG 3.2Å
259T79.3Confident73.6Confident27 Ų2751.1 Ų51.117%0.16629%0.289CS..Hα-helixtrans-71-40.1179.5-50.50000111.5I222 E255 L256 L257 L261 S262 Q263I222-T259 HydrophobicContact CD1-CG2 3.34Å; I222-T259 HydrophobicContact CG1-CG2 3.47Å; I222-T259 VanDerWaalsContact CG1-CG2 3.47Å; E255-T259 PolarHBondContact O-N 3Å; E255-T259 PolarHBondContact O-OG1 3.01Å; L256-T259 PolarHBondContact O-N 2.95Å; L257-T259 PolarHBondContact O-N 3.16Å; T259-L261 VanDerWaalsContact C-N 3.31Å; T259-L261 PolarHBondContact O-N 3.42Å; T259-S262 PolarHBondContact O-N 3.46Å; T259-Q263 WeakPolarHBondContact O-CG 3.41Å; T259-Q263 PolarHBondContact O-N 3.22Å; T259-Q263 VanDerWaalsContact O-N 3.12Å
260E71.1Confident70.7Confident25 Ų2555.2 Ų55.212%0.11732%0.323CS..Hα-helixtrans-64.2-36.5173.9-60.4-66.816300111.5R226 L256 L257 V309R226-E260 IonicContact NH2-OE1 3.24Å; R226-E260 PolarHBondContact NH2-OE1 3.1Å; L256-E260 WeakPolarHBondContact O-CG 3.5Å; L256-E260 PolarHBondContact O-N 3.22Å; L257-E260 PolarHBondContact O-N 3.46Å; E260-V309 HydrophobicContact CB-CG2 4.34Å; E260-V309 HydrophobicContact CG-CG2 4.12Å
261L64.1Low67.9Low75 Ų7558.5 Ų58.539%0.39335%0.349SS..Hα-helixtrans-67.7-42174.1-172.666.9000112.1L257 N258 T259 Q263 S264L257-L261 PolarHBondContact O-N 2.77Å; N258-L261 PolarHBondContact O-N 3.37Å; T259-L261 VanDerWaalsContact C-N 3.31Å; T259-L261 PolarHBondContact O-N 3.42Å; L261-Q263 VanDerWaalsContact C-N 3.27Å; L261-Q263 PolarHBondContact O-N 3.08Å; L261-S264 WeakPolarHBondContact O-CB 3.44Å; L261-S264 PolarHBondContact O-N 2.86Å; L261-S264 VanDerWaalsContact O-N 3.08Å; L261-S264 PolarHBondContact O-OG 2.98Å; L261-S264 VanDerWaalsContact O-OG 3.04Å
262S64.2Low64.7Low72 Ų7263.1 Ų63.150%0.50338%0.379SS..Hα-helixtrans-65.7-31.5-179.4-58.40000112.3N258 T259 S264 L265 S266N258-S262 WeakPolarHBondContact O-CB 3.28Å; N258-S262 PolarHBondContact O-N 3.45Å; N258-S262 PolarHBondContact O-OG 3.2Å; T259-S262 PolarHBondContact O-N 3.46Å; S262-S264 VanDerWaalsContact C-N 3.26Å; S262-S264 PolarHBondContact O-N 2.97Å; S262-L265 PolarHBondContact O-N 2.89Å; S262-S266 PolarHBondContact O-N 3.35Å; S262-S266 PolarHBondContact O-OG 3.02Å
263Q59.1Low61.5Low81 Ų8170 Ų7038%0.37941%0.414SS..Hα-helixtrans-68.1-22.7174.5-72177.617.800113.2T259 L261 S266T259-Q263 WeakPolarHBondContact O-CG 3.41Å; T259-Q263 PolarHBondContact O-N 3.22Å; T259-Q263 VanDerWaalsContact O-N 3.12Å; L261-Q263 VanDerWaalsContact C-N 3.27Å; L261-Q263 PolarHBondContact O-N 3.08Å; Q263-S266 WeakPolarHBondContact CA-OG 3.27Å; Q263-S266 PolarHBondContact O-OG 3.37Å; Q263-S266 VanDerWaalsContact O-OG 3.04Å
264S49.4Very low58.1Low38 Ų3878.6 Ų78.627%0.26645%0.452SS..Hα-helixtrans-74.1-29.7176.493.30000113L261 S262 S267L261-S264 WeakPolarHBondContact O-CB 3.44Å; L261-S264 PolarHBondContact O-N 2.86Å; L261-S264 VanDerWaalsContact O-N 3.08Å; L261-S264 PolarHBondContact O-OG 2.98Å; L261-S264 VanDerWaalsContact O-OG 3.04Å; S262-S264 VanDerWaalsContact C-N 3.26Å; S262-S264 PolarHBondContact O-N 2.97Å; S264-S267 PolarHBondContact O-OG 3.17Å; S264-S267 VanDerWaalsContact O-OG 3.07Å
265L49.7Very low54.9Low121 Ų12179.6 Ų79.663%0.63447%0.471SS*.Hα-helixtrans-80.7-28.4179.4-68.9165.9000112.2S262 S269S262-L265 PolarHBondContact O-N 2.89Å; L265-S269 PolarHBondContact O-OG 2.79Å
266S44.8Very low51.8Low73 Ų7382.7 Ų82.751%0.5150%0.495SS..Hα-helixtrans-76.7-22.1177.349.90000114.3S262 Q263S262-S266 PolarHBondContact O-N 3.35Å; S262-S266 PolarHBondContact O-OG 3.02Å; Q263-S266 WeakPolarHBondContact CA-OG 3.27Å; Q263-S266 PolarHBondContact O-OG 3.37Å; Q263-S266 VanDerWaalsContact O-OG 3.04Å
267S43.1Very low48.7Very low72 Ų7287.8 Ų87.850%0.50353%0.531SS..SBendtrans-75.5-23.117656.10000113.5S264S264-S267 PolarHBondContact O-OG 3.17Å; S264-S267 VanDerWaalsContact O-OG 3.07Å
268D38.7Very low45.8Very low110 Ų11096.5 Ų96.559%0.58857%0.572SS**SBendtrans-88.4-8.6179.8-74.6-6.1000113.1
269S37.3Very low43Very low97 Ų97102 Ų10268%0.67860%0.595SS**SBendtrans-103.1-2.6-178.8-54.60000114.1L265 S271L265-S269 PolarHBondContact O-OG 2.79Å; S269-S271 VanDerWaalsContact C-N 3.33Å; S269-S271 PolarHBondContact O-N 3.49Å
270A35.7Very low40.6Very low90 Ų90109.7 Ų109.774%0.74463%0.629SS**  trans-92.920.9-176.400000114
271S40Very low38.4Very low95 Ų95113 Ų11366%0.66466%0.655SS**  trans-117.465.1171.559.20000110.9S269S269-S271 VanDerWaalsContact C-N 3.33Å; S269-S271 PolarHBondContact O-N 3.49Å
272T31.6Very low36.6Very low116 Ų116116.3 Ų116.371%0.71267%0.673SS**SBendtrans-164.999.4153.68.70000111.8
273I30.9Very low34.9Very low144 Ų144118.9 Ų118.974%0.73869%0.686SS**  trans68.8105.6140.1-49.2169.3000118.1
274F25Very low33.4Very low182 Ų182121.8 Ų121.880%0.79871%0.709SS**  -170.9102.9106.7-130.1-92.1000111
275C26.8Very low32.5Very low126 Ų126128.7 Ų128.785%0.85174%0.736SS**  trans-110.8122.8158.9-80.10000107.1S277C275-S277 PolarHBondContact O-N 2.95Å
276P27.3Very low31.4Very low115 Ų115128.9 Ų128.975%0.74775%0.748SS**  trans-76.1126.6172.127-23.9000109.3
277S27.5Very low30.5Very low110 Ų110131.9 Ų131.977%0.76976%0.763SS**  trans-68.6133.2175.855.30000110.9C275C275-S277 PolarHBondContact O-N 2.95Å
278Q30.7Very low29.8Very low193 Ų193134 Ų13490%0.90278%0.777SS**  trans-109.8123.3157.4-76-170-11.700108.8
279H27.6Very low29.7Very low180 Ų180134.3 Ų134.383%0.83379%0.785SS**  trans-61.8132.1165-89.2-86.7000110.4
280Q28.4Very low29.8Very low188 Ų188138.1 Ų138.188%0.87979%0.792SS**  -177.5146.6108.8-97175.419.900113.1
281S24.6Very low29.5Very low95 Ų95138.8 Ų138.866%0.66480%0.798SS**  trans-69.7142.6-17236.40000117.5
282N27Very low29.4Very low145 Ų145142.1 Ų142.178%0.77581%0.808SS**  167.1128.2110.7-90.6-20.2000115.4
283T27.8Very low29.6Very low125 Ų125140 Ų14077%0.76781%0.81SS**  trans29.1127.8146.146.20000122.8
284V28.2Very low29.6Very low142 Ų142142.8 Ų142.886%0.86182%0.819SS**  179.2144.497.31640000110.7
285H29.3Very low30.3Very low183 Ų183141.8 Ų141.885%0.84782%0.822SS**  trans-62.2141.2178.8-85.6-88.8000116.4
286S26.4Very low31Very low125 Ų125138.8 Ų138.887%0.87480%0.802SS**  trans-164.7147.4135.9-97.50000113.2
287T26Very low31.8Very low136 Ų136140.8 Ų140.883%0.83481%0.806SS**  trans-76.1146.8-168.2320000116.6
288C29.9Very low32.4Very low118 Ų118137.6 Ų137.680%0.79779%0.79SS**  trans2.9159.5152.4-115.90000121
289P36.3Very low32.9Very low116 Ų116133.7 Ų133.775%0.75378%0.775SS**  cis-145.8173.431.137.7-13.8000119.8
290Q39.5Very low33.9Very low177 Ų177128.6 Ų128.683%0.82776%0.764SS**  trans-31.7140.7172.2-68.1161-44.100117.6
291A28.5Very low35.3Very low104 Ų104121.7 Ų121.786%0.8674%0.74SS**  trans-139.1121.2147.400000109.7
292N37.3Very low36.9Very low164 Ų164119.1 Ų119.188%0.87772%0.721SS**  trans-56.8146.9176.5-70.7-28000112.7
293G37.6Very low38.7Very low73 Ų73113.9 Ų113.975%0.75370%0.701SS**  trans13544.615600000116.3L295G293-L295 PolarHBondContact O-N 3.25Å
294E30.9Very low40.8Very low201 Ų201113 Ų11394%0.93969%0.692SS**  trans-75.884.2159.2-81.5-174.1154.600108.7S296E294-S296 PolarHBondContact O-N 2.97Å
295L38.3Very low43Very low161 Ų161109.3 Ų109.384%0.84366%0.662SS**  trans-63.6111.9153.2-100.2151.5000106.1G293 L297G293-L295 PolarHBondContact O-N 3.25Å; L295-L297 PolarHBondContact O-N 3.47Å; L295-L297 VanDerWaalsContact O-N 3.12Å
296S41.9Very low45.4Very low63 Ų63102.8 Ų102.844%0.44163%0.633SS.*  trans-43.1117.1-179.6178.40000110.6E294 G298 D299E294-S296 PolarHBondContact O-N 2.97Å; S296-G298 PolarHBondContact O-N 3.45Å; S296-G298 PolarHBondContact OG-N 2.96Å; S296-D299 PolarHBondContact O-N 3.45Å
297L43.7Very low48.1Very low158 Ų15899 Ų9983%0.82761%0.605SS**Hα-helixtrans-54.1-23.9173.7-166.369000111.3L295 A301L295-L297 PolarHBondContact O-N 3.47Å; L295-L297 VanDerWaalsContact O-N 3.12Å; L297-A301 WeakPolarHBondContact O-CB 3.39Å; L297-A301 PolarHBondContact O-N 3.37Å
298G40.8Very low50.9Low42 Ų4294.3 Ų94.343%0.43358%0.576SS.*Hα-helixtrans-68.1-37.1173.400000114.6S296 C302S296-G298 PolarHBondContact O-N 3.45Å; S296-G298 PolarHBondContact OG-N 2.96Å; G298-C302 VanDerWaalsContact O-CB 3.31Å; G298-C302 WeakPolarHBondContact O-CB 3.36Å; G298-C302 PolarHBondContact O-N 3.07Å
299D41.5Very low53.7Low112 Ų11288.8 Ų88.860%0.59954%0.539SS*.Hα-helixtrans-74.5-38.6-178.5-74.5-20.9000111.7S296 C302 G303S296-D299 PolarHBondContact O-N 3.45Å; D299-C302 PolarHBondContact O-N 2.99Å; D299-G303 PolarHBondContact O-N 3.36Å
300A48.9Very low56.2Low72 Ų7283.5 Ų83.560%0.59550%0.504SS*.Hα-helixtrans-66-42174.700000111.9G303 D304A300-G303 PolarHBondContact O-N 2.82Å; A300-D304 PolarHBondContact O-N 3.34Å
301A56.4Low58.7Low44 Ų4479.9 Ų79.936%0.36449%0.485SS..Hα-helixtrans-67.4-34.217600000112.5L297 R305L297-A301 WeakPolarHBondContact O-CB 3.39Å; L297-A301 PolarHBondContact O-N 3.37Å; A301-R305 WeakPolarHBondContact O-CG 3.48Å; A301-R305 PolarHBondContact O-N 2.94Å; A301-R305 PolarHBondContact O-NH1 3.32Å
302C57.8Low61.7Low40 Ų4075.6 Ų75.627%0.2745%0.448SS..Hα-helixtrans-66.4-44.8173.9-167.70000112G298 D299 D304 R305 I306G298-C302 VanDerWaalsContact O-CB 3.31Å; G298-C302 WeakPolarHBondContact O-CB 3.36Å; G298-C302 PolarHBondContact O-N 3.07Å; D299-C302 PolarHBondContact O-N 2.99Å; C302-D304 VanDerWaalsContact C-N 3.32Å; C302-D304 PolarHBondContact O-N 2.87Å; C302-R305 PolarHBondContact O-N 3.14Å; C302-I306 WeakPolarHBondContact O-CG1 3.49Å; C302-I306 PolarHBondContact O-N 3.39Å; C302-I306 VanDerWaalsContact O-N 3.15Å
303G64.7Low64.5Low35 Ų3567.8 Ų67.836%0.36141%0.406SS..Hα-helixtrans-60.4-37.417700000113.7D299 A300 T307D299-G303 PolarHBondContact O-N 3.36Å; A300-G303 PolarHBondContact O-N 2.82Å; G303-T307 WeakPolarHBondContact O-CB 3.47Å; G303-T307 PolarHBondContact O-N 3.33Å; G303-T307 VanDerWaalsContact O-N 3.12Å; G303-T307 PolarHBondContact O-OG1 3.43Å
304D73.1Confident67.2Low107 Ų10767.9 Ų67.957%0.57238%0.384SS*.Hα-helixtrans-71.1-35.8179.2-161.936.6000112.7A300 C302 T307 T308A300-D304 PolarHBondContact O-N 3.34Å; C302-D304 VanDerWaalsContact C-N 3.32Å; C302-D304 PolarHBondContact O-N 2.87Å; D304-T307 PolarHBondContact O-N 2.96Å; D304-T308 WeakPolarHBondContact O-CB 3.44Å; D304-T308 PolarHBondContact O-N 3.32Å; D304-T308 PolarHBondContact O-OG1 3.09Å
305R73.5Confident70.2Confident65 Ų6564.5 Ų64.525%0.24537%0.368CS..Hα-helixtrans-65.6-49.7174.3-72.7-170-59.1-93.22.5112.5A301 C302 T307 T308 V309A301-R305 WeakPolarHBondContact O-CG 3.48Å; A301-R305 PolarHBondContact O-N 2.94Å; A301-R305 PolarHBondContact O-NH1 3.32Å; C302-R305 PolarHBondContact O-N 3.14Å; R305-T307 PolarHBondContact O-N 2.92Å; R305-T308 WeakPolarHBondContact O-CB 3.47Å; R305-T308 PolarHBondContact O-N 3.2Å; R305-V309 PolarHBondContact O-N 2.91Å
306I79.5Confident73Confident46 Ų4657 Ų5724%0.23633%0.329CS..Hα-helixtrans-58.7-40.2177.8-65.6169.7000110.2C302 T308 F310 W347C302-I306 WeakPolarHBondContact O-CG1 3.49Å; C302-I306 PolarHBondContact O-N 3.39Å; C302-I306 VanDerWaalsContact O-N 3.15Å; I306-T308 VanDerWaalsContact C-N 3.33Å; I306-T308 PolarHBondContact O-N 3.18Å; I306-F310 WeakPolarHBondContact O-CB 3.38Å; I306-F310 PolarHBondContact O-N 3.28Å; I306-W347 HydrophobicContact CB-CH2 4.45Å; I306-W347 HydrophobicContact CG1-CH2 4.15Å; I306-W347 HydrophobicContact CG2-CH2 4.42Å
307T83.7Confident75.6Confident46 Ų4654.4 Ų54.428%0.28231%0.31SS..Hα-helixtrans-62.6-40.1176-610000111.8G303 D304 R305 K311 L409G303-T307 WeakPolarHBondContact O-CB 3.47Å; G303-T307 PolarHBondContact O-N 3.33Å; G303-T307 VanDerWaalsContact O-N 3.12Å; G303-T307 PolarHBondContact O-OG1 3.43Å; D304-T307 PolarHBondContact O-N 2.96Å; R305-T307 PolarHBondContact O-N 2.92Å; T307-K311 HydrophobicContact CG2-CD 4.28Å; T307-K311 WeakPolarHBondContact O-CB 3.25Å; T307-K311 VanDerWaalsContact O-CG 3.26Å; T307-K311 WeakPolarHBondContact O-CG 3.33Å; T307-K311 PolarHBondContact O-N 2.83Å; T307-L409 HydrophobicContact CG2-CD2 4.04Å
308T85.7Confident78.1Confident36 Ų3650.4 Ų50.422%0.22129%0.288CS..Hα-helixtrans-68.3-46.6179-63.90000112.3R226 D304 R305 I306 K311 L312R226-T308 VanDerWaalsContact NH2-CG2 3.29Å; D304-T308 WeakPolarHBondContact O-CB 3.44Å; D304-T308 PolarHBondContact O-N 3.32Å; D304-T308 PolarHBondContact O-OG1 3.09Å; R305-T308 WeakPolarHBondContact O-CB 3.47Å; R305-T308 PolarHBondContact O-N 3.2Å; I306-T308 VanDerWaalsContact C-N 3.33Å; I306-T308 PolarHBondContact O-N 3.18Å; T308-K311 PolarHBondContact O-N 3.45Å; T308-L312 PolarHBondContact O-N 3.18Å; T308-L312 VanDerWaalsContact O-N 3.09Å
309V88.5Confident80.8Confident2 Ų248.9 Ų48.91%0.01227%0.269CS..Hα-helixtrans-64.1-43176.31770000110.7L257 E260 R305 K311 L312 F313 W344 W347L257-V309 HydrophobicContact CD2-CB 4.47Å; L257-V309 HydrophobicContact CD2-CG1 3.38Å; L257-V309 HydrophobicContact CD2-CG2 4.24Å; E260-V309 HydrophobicContact CB-CG2 4.34Å; E260-V309 HydrophobicContact CG-CG2 4.12Å; R305-V309 PolarHBondContact O-N 2.91Å; V309-K311 PolarHBondContact O-N 3.24Å; V309-L312 WeakPolarHBondContact O-CB 3.33Å; V309-L312 PolarHBondContact O-N 3.48Å; V309-F313 HydrophobicContact CG1-CD2 3.93Å; V309-F313 HydrophobicContact CG1-CE2 4.16Å; V309-F313 WeakPolarHBondContact O-CD2 3.32Å; V309-F313 PolarHBondContact O-N 2.87Å; V309-F313 VanDerWaalsContact O-N 3.08Å; V309-W344 HydrophobicContact CG1-CZ3 4.14Å; V309-W347 HydrophobicContact CB-CH2 3.88Å; V309-W347 HydrophobicContact CB-CZ2 4.02Å; V309-W347 HydrophobicContact CB-CZ3 4.25Å; V309-W347 HydrophobicContact CG1-CD2 3.99Å; V309-W347 HydrophobicContact CG1-CE3 3.89Å; V309-W347 HydrophobicContact CG1-CH2 3.89Å; V309-W347 HydrophobicContact CG1-CZ2 3.98Å; V309-W347 HydrophobicContact CG1-CZ3 3.84Å; V309-W347 HydrophobicContact CG2-CH2 4.26Å; V309-W347 HydrophobicContact CG2-CZ2 3.91Å
310F89.4Confident83.5Confident5 Ų543.6 Ų43.62%0.02224%0.242CC..Hα-helixtrans-57-48.7175173.9-88000111.7I306 L312 F313 Y314 W344 L409 L412 L413I306-F310 WeakPolarHBondContact O-CB 3.38Å; I306-F310 PolarHBondContact O-N 3.28Å; F310-L312 VanDerWaalsContact C-N 3.27Å; F310-L312 PolarHBondContact O-N 3.08Å; F310-F313 PolarHBondContact O-N 3.4Å; F310-Y314 HydrophobicContact CE1-CG 4.21Å; F310-Y314 HydrophobicContact CZ-CD2 4.17Å; F310-Y314 HydrophobicContact CZ-CG 4.21Å; F310-Y314 VanDerWaalsContact O-CB 3.24Å; F310-Y314 WeakPolarHBondContact O-CB 3.34Å; F310-Y314 PolarHBondContact O-N 3.46Å; F310-W344 HydrophobicContact CB-CH2 3.91Å; F310-W344 HydrophobicContact CB-CZ3 4.28Å; F310-W344 AromaticContact CD2-CH2 3.55Å; F310-W344 HydrophobicContact CD2-CH2 3.55Å; F310-W344 AromaticContact CD2-CZ2 3.86Å; F310-W344 HydrophobicContact CD2-CZ2 3.86Å; F310-W344 HydrophobicContact CD2-CZ3 4.45Å; F310-W344 HydrophobicContact CE2-CZ2 4.47Å; F310-W344 HydrophobicContact CG-CH2 4.21Å; F310-L409 HydrophobicContact CD1-CB 4.24Å; F310-L409 HydrophobicContact CD1-CD2 3.51Å; F310-L409 HydrophobicContact CD1-CG 3.76Å; F310-L409 HydrophobicContact CE1-CB 4.17Å; F310-L409 HydrophobicContact CE1-CD2 3.83Å; F310-L409 HydrophobicContact CE1-CG 3.58Å; F310-L409 WeakPolarHBondContact CE2-O 3.3Å; F310-L409 HydrophobicContact CG-CD2 4.45Å; F310-L409 HydrophobicContact CZ-CG 4.39Å; F310-L409 WeakPolarHBondContact CZ-O 3.49Å; F310-L412 HydrophobicContact CE2-CB 4.46Å; F310-L412 HydrophobicContact CZ-CB 4.01Å; F310-L412 HydrophobicContact CZ-CD1 4.25Å; F310-L412 HydrophobicContact CZ-CG 4.48Å; F310-L413 HydrophobicContact CD2-CD1 4.03Å; F310-L413 HydrophobicContact CE2-CB 4.37Å; F310-L413 HydrophobicContact CE2-CD1 3.83Å; F310-L413 HydrophobicContact CE2-CG 3.94Å
311K90.5Very high85.8Confident101 Ų10140.7 Ų40.744%0.43922%0.216SC..Hα-helixtrans-58.1-41.5178.6-77.1169.3-177.8170.40111.7T307 T308 V309 Y314 Q315T307-K311 HydrophobicContact CG2-CD 4.28Å; T307-K311 WeakPolarHBondContact O-CB 3.25Å; T307-K311 VanDerWaalsContact O-CG 3.26Å; T307-K311 WeakPolarHBondContact O-CG 3.33Å; T307-K311 PolarHBondContact O-N 2.83Å; T308-K311 PolarHBondContact O-N 3.45Å; V309-K311 PolarHBondContact O-N 3.24Å; K311-Y314 PolarHBondContact O-N 3.31Å; K311-Q315 WeakPolarHBondContact O-CB 3.46Å; K311-Q315 VanDerWaalsContact O-CG 3.24Å; K311-Q315 WeakPolarHBondContact O-CG 3.32Å; K311-Q315 PolarHBondContact O-N 3.31Å
312L92.8Very high87.8Confident14 Ų1443 Ų437%0.07322%0.223CC..Hα-helixtrans-59.9-52.1178.8-175.668.4000111.7L229 L253 L256 T308 V309 F310 E316L229-L312 HydrophobicContact CD2-CD1 3.36Å; L253-L312 HydrophobicContact CD2-CD1 3.87Å; L253-L312 HydrophobicContact CD2-CD2 3.82Å; L253-L312 HydrophobicContact CD2-CG 3.59Å; L256-L312 HydrophobicContact CB-CD2 4.01Å; L256-L312 HydrophobicContact CD1-CD1 4.14Å; L256-L312 HydrophobicContact CD1-CD2 4.06Å; T308-L312 PolarHBondContact O-N 3.18Å; T308-L312 VanDerWaalsContact O-N 3.09Å; V309-L312 WeakPolarHBondContact O-CB 3.33Å; V309-L312 PolarHBondContact O-N 3.48Å; F310-L312 VanDerWaalsContact C-N 3.27Å; F310-L312 PolarHBondContact O-N 3.08Å; L312-E316 PolarHBondContact O-N 3.34Å; L312-E316 VanDerWaalsContact O-N 3.15Å
313F94.8Very high89.7Confident0 Ų041.5 Ų41.50%021%0.212CC..Hα-helixtrans-71.4-33.4-179.8-83.2-87.9000112.8L253 L257 V309 F310 E316 T317 V340 L343 W344 L413L253-F313 HydrophobicContact CB-CZ 4.4Å; L257-F313 HydrophobicContact CD1-CE2 3.61Å; L257-F313 HydrophobicContact CD1-CZ 3.4Å; L257-F313 VanDerWaalsContact CD1-CZ 3.4Å; L257-F313 HydrophobicContact CD2-CD2 4.49Å; L257-F313 HydrophobicContact CD2-CE2 3.6Å; L257-F313 HydrophobicContact CD2-CZ 4.3Å; L257-F313 HydrophobicContact CG-CE2 3.62Å; L257-F313 HydrophobicContact CG-CZ 3.93Å; V309-F313 HydrophobicContact CG1-CD2 3.93Å; V309-F313 HydrophobicContact CG1-CE2 4.16Å; V309-F313 WeakPolarHBondContact O-CD2 3.32Å; V309-F313 PolarHBondContact O-N 2.87Å; V309-F313 VanDerWaalsContact O-N 3.08Å; F310-F313 PolarHBondContact O-N 3.4Å; F313-E316 PolarHBondContact O-N 3.46Å; F313-T317 WeakPolarHBondContact O-CB 3.44Å; F313-T317 PolarHBondContact O-N 2.95Å; F313-T317 PolarHBondContact O-OG1 3.22Å; F313-T317 VanDerWaalsContact O-OG1 3.04Å; F313-V340 HydrophobicContact CD1-CG1 3.72Å; F313-V340 WeakPolarHBondContact CD1-O 3.08Å; F313-V340 HydrophobicContact CE1-CG1 4.1Å; F313-V340 VanDerWaalsContact CE1-O 3.25Å; F313-V340 WeakPolarHBondContact CE1-O 3.46Å; F313-L343 HydrophobicContact CE1-CB 3.73Å; F313-L343 HydrophobicContact CZ-CB 3.88Å; F313-L343 HydrophobicContact CZ-CD1 4.43Å; F313-W344 HydrophobicContact CB-CB 4.45Å; F313-W344 HydrophobicContact CB-CD2 4.29Å; F313-W344 HydrophobicContact CB-CE3 3.82Å; F313-W344 HydrophobicContact CB-CZ3 4.43Å; F313-W344 HydrophobicContact CD1-CB 3.64Å; F313-W344 HydrophobicContact CD2-CE3 4.02Å; F313-W344 HydrophobicContact CE1-CB 4.12Å; F313-W344 HydrophobicContact CG-CB 4.04Å; F313-W344 HydrophobicContact CG-CD2 4.46Å; F313-W344 AromaticContact CG-CE3 3.86Å; F313-W344 HydrophobicContact CG-CE3 3.86Å; F313-L413 HydrophobicContact CB-CD1 3.75Å
314Y94Very high91.3Very high76 Ų7639.8 Ų39.830%0.29820%0.195SC..Hα-helixtrans-62.7-48.9175.3177.7-102.2000110.5F310 K311 E316 T317 E318 L412F310-Y314 HydrophobicContact CE1-CG 4.21Å; F310-Y314 HydrophobicContact CZ-CD2 4.17Å; F310-Y314 HydrophobicContact CZ-CG 4.21Å; F310-Y314 VanDerWaalsContact O-CB 3.24Å; F310-Y314 WeakPolarHBondContact O-CB 3.34Å; F310-Y314 PolarHBondContact O-N 3.46Å; K311-Y314 PolarHBondContact O-N 3.31Å; Y314-E316 VanDerWaalsContact C-N 3.31Å; Y314-E316 PolarHBondContact O-N 3Å; Y314-T317 PolarHBondContact O-N 3.39Å; Y314-E318 HydrophobicContact CD1-CG 4.23Å; Y314-E318 HydrophobicContact CD2-CG 4.37Å; Y314-E318 HydrophobicContact CE1-CG 3.76Å; Y314-E318 HydrophobicContact CE2-CG 3.9Å; Y314-E318 VanDerWaalsContact O-CG 3.31Å; Y314-E318 WeakPolarHBondContact O-CG 3.31Å; Y314-E318 PolarHBondContact O-N 3.15Å; Y314-E318 PolarHBondContact OH-OE2 2.75Å; Y314-L412 HydrophobicContact CD2-CB 4.19Å; Y314-L412 HydrophobicContact CD2-CD1 4.25Å; Y314-L412 HydrophobicContact CE2-CB 4.17Å; Y314-L412 HydrophobicContact CE2-CD1 3.84Å
315Q95.3Very high92.4Very high129 Ų12940 Ų4060%0.60319%0.192SC*.Hα-helixtrans-59.1-41176.8-74.3174-18.300112.6K311 E318 L319K311-Q315 WeakPolarHBondContact O-CB 3.46Å; K311-Q315 VanDerWaalsContact O-CG 3.24Å; K311-Q315 WeakPolarHBondContact O-CG 3.32Å; K311-Q315 PolarHBondContact O-N 3.31Å; Q315-E318 PolarHBondContact O-N 3Å; Q315-L319 PolarHBondContact O-N 3.06Å
316E97.6Very high93.5Very high5 Ų540.6 Ų40.62%0.02321%0.207CC..Hα-helixtrans-70-38.2178.9-160.875.1176.500112.4R249 L253 L312 F313 Y314 L319 C320 H336 V340R249-E316 IonicContact CZ-OE1 3.5Å; R249-E316 IonicContact CZ-OE2 3.98Å; R249-E316 IonicContact NE-OE1 3.15Å; R249-E316 PolarHBondContact NE-OE1 3.02Å; R249-E316 IonicContact NE-OE2 2.88Å; R249-E316 IonicContact NH2-OE1 3.64Å; R249-E316 PolarHBondContact NH2-OE1 3.01Å; R249-E316 IonicContact NH2-OE2 3.32Å; R249-E316 PolarHBondContact NH2-OE2 3.43Å; L253-E316 HydrophobicContact CD1-CB 4.38Å; L253-E316 HydrophobicContact CD1-CG 3.75Å; L312-E316 PolarHBondContact O-N 3.34Å; L312-E316 VanDerWaalsContact O-N 3.15Å; F313-E316 PolarHBondContact O-N 3.46Å; Y314-E316 VanDerWaalsContact C-N 3.31Å; Y314-E316 PolarHBondContact O-N 3Å; E316-L319 WeakPolarHBondContact O-CB 3.3Å; E316-L319 PolarHBondContact O-N 2.66Å; E316-C320 PolarHBondContact O-N 3.03Å; E316-C320 PolarHBondContact O-SG 3.17Å; E316-H336 IonicContact OE1-CE1 2.85Å; E316-H336 IonicContact OE1-NE2 2.69Å; E316-H336 PolarHBondContact OE1-NE2 2.82Å; E316-H336 VanDerWaalsContact OE1-NE2 3.1Å; E316-V340 HydrophobicContact CB-CG1 4.01Å; E316-V340 HydrophobicContact CG-CG1 4.03Å; E316-V340 HydrophobicContact CG-CG2 3.71Å
317T96Very high94.3Very high7 Ų742.7 Ų42.74%0.04321%0.214CC..Hα-helixtrans-65.9-39.4174.8-64.80000111.7F313 Y314 C320 S321 L413F313-T317 WeakPolarHBondContact O-CB 3.44Å; F313-T317 PolarHBondContact O-N 2.95Å; F313-T317 PolarHBondContact O-OG1 3.22Å; F313-T317 VanDerWaalsContact O-OG1 3.04Å; Y314-T317 PolarHBondContact O-N 3.39Å; T317-C320 WeakPolarHBondContact O-CB 3.37Å; T317-C320 PolarHBondContact O-N 3.28Å; T317-S321 PolarHBondContact O-N 3.34Å; T317-S321 PolarHBondContact O-OG 2.65Å; T317-L413 HydrophobicContact CG2-CD2 3.95Å
318E96.3Very high94.9Very high74 Ų7443.1 Ų43.135%0.34622%0.218SC..Hα-helixtrans-63.6-45.5174.5-68.3-68.679.200111Y314 Q315 C320 S321 D322Y314-E318 HydrophobicContact CD1-CG 4.23Å; Y314-E318 HydrophobicContact CD2-CG 4.37Å; Y314-E318 HydrophobicContact CE1-CG 3.76Å; Y314-E318 HydrophobicContact CE2-CG 3.9Å; Y314-E318 VanDerWaalsContact O-CG 3.31Å; Y314-E318 WeakPolarHBondContact O-CG 3.31Å; Y314-E318 PolarHBondContact O-N 3.15Å; Y314-E318 PolarHBondContact OH-OE2 2.75Å; Q315-E318 PolarHBondContact O-N 3Å; E318-C320 VanDerWaalsContact C-N 3.27Å; E318-C320 PolarHBondContact O-N 3.42Å; E318-S321 WeakPolarHBondContact O-CB 3.49Å; E318-S321 PolarHBondContact O-N 2.81Å; E318-D322 PolarHBondContact O-N 3.3Å
319L97.8Very high95.4Very high10 Ų1041.9 Ų41.95%0.05221%0.212CC..Hα-helixtrans-54.1-45.5172173.263000111.5V236 Q315 E316 D322 L323V236-L319 HydrophobicContact CG2-CD2 4.21Å; Q315-L319 PolarHBondContact O-N 3.06Å; E316-L319 WeakPolarHBondContact O-CB 3.3Å; E316-L319 PolarHBondContact O-N 2.66Å; L319-D322 PolarHBondContact O-N 3.04Å; L319-L323 HydrophobicContact CD1-CD1 3.7Å; L319-L323 HydrophobicContact CD1-CG 3.93Å; L319-L323 HydrophobicContact CG-CD1 4.07Å; L319-L323 WeakPolarHBondContact O-CB 3.36Å; L319-L323 VanDerWaalsContact O-CG 3.28Å; L319-L323 WeakPolarHBondContact O-CG 3.46Å; L319-L323 PolarHBondContact O-N 3.46Å
320C97.8Very high95.8Very high2 Ų244.2 Ų44.21%0.01422%0.222CC..Hα-helixtrans-61-45.2175.6-66.20000111.8E316 T317 E318 I324 H336 R337E316-C320 PolarHBondContact O-N 3.03Å; E316-C320 PolarHBondContact O-SG 3.17Å; T317-C320 WeakPolarHBondContact O-CB 3.37Å; T317-C320 PolarHBondContact O-N 3.28Å; E318-C320 VanDerWaalsContact C-N 3.27Å; E318-C320 PolarHBondContact O-N 3.42Å; C320-I324 HydrophobicContact CB-CD1 4.48Å; C320-I324 VanDerWaalsContact O-CB 3.23Å; C320-I324 WeakPolarHBondContact O-CB 3.38Å; C320-I324 WeakPolarHBondContact O-CD1 3.44Å; C320-I324 WeakPolarHBondContact O-CG1 3.1Å; C320-I324 PolarHBondContact O-N 2.88Å; C320-H336 PolarHBondContact SG-CD2 2.88Å; C320-R337 HydrophobicContact CB-CB 4.06Å; C320-R337 HydrophobicContact CB-CG 4.05Å
321S97.1Very high96.2Very high10 Ų1048.8 Ų48.87%0.0724%0.244CC..Hα-helixtrans-58-50.8178.9-61.40000111T317 E318 L323 I324 Q325 R337T317-S321 PolarHBondContact O-N 3.34Å; T317-S321 PolarHBondContact O-OG 2.65Å; E318-S321 WeakPolarHBondContact O-CB 3.49Å; E318-S321 PolarHBondContact O-N 2.81Å; S321-L323 PolarHBondContact O-N 3.28Å; S321-I324 PolarHBondContact O-N 3.44Å; S321-Q325 WeakPolarHBondContact O-CB 3.17Å; S321-Q325 VanDerWaalsContact O-CG 3.29Å; S321-Q325 WeakPolarHBondContact O-CG 3.39Å; S321-Q325 PolarHBondContact O-N 3.14Å; S321-R337 PolarHBondContact OG-NH1 3.15Å
322D98Very high96.6Very high92 Ų9244.2 Ų44.249%0.49222%0.224SC..Hα-helixtrans-61.5-45.9-178.3-70.1-14.9000111.4E318 L319 Q325 S326E318-D322 PolarHBondContact O-N 3.3Å; L319-D322 PolarHBondContact O-N 3.04Å; D322-Q325 PolarHBondContact O-N 3.21Å; D322-S326 WeakPolarHBondContact O-CB 3.21Å; D322-S326 PolarHBondContact O-N 3.45Å; D322-S326 PolarHBondContact O-OG 3.11Å
323L98.3Very high96.9Very high9 Ų943.6 Ų43.65%0.04722%0.221CC..Hα-helixtrans-69.4-40.4-179.8-65.3-179.6000112.2V240 F246 L319 S321 Q325 S326 F327 L333V240-L323 HydrophobicContact CG1-CD1 4.46Å; V240-L323 HydrophobicContact CG1-CD2 4.06Å; F246-L323 HydrophobicContact CE1-CD1 4.26Å; F246-L323 HydrophobicContact CZ-CD1 3.78Å; L319-L323 HydrophobicContact CD1-CD1 3.7Å; L319-L323 HydrophobicContact CD1-CG 3.93Å; L319-L323 HydrophobicContact CG-CD1 4.07Å; L319-L323 WeakPolarHBondContact O-CB 3.36Å; L319-L323 VanDerWaalsContact O-CG 3.28Å; L319-L323 WeakPolarHBondContact O-CG 3.46Å; L319-L323 PolarHBondContact O-N 3.46Å; S321-L323 PolarHBondContact O-N 3.28Å; L323-Q325 VanDerWaalsContact C-N 3.29Å; L323-Q325 PolarHBondContact O-N 3.36Å; L323-S326 PolarHBondContact O-N 3.41Å; L323-F327 HydrophobicContact CD2-CD2 3.99Å; L323-F327 HydrophobicContact CD2-CE2 3.86Å; L323-F327 WeakPolarHBondContact O-CA 3.28Å; L323-F327 WeakPolarHBondContact O-CB 3.35Å; L323-F327 PolarHBondContact O-N 3.45Å; L323-L333 HydrophobicContact CB-CD1 3.84Å; L323-L333 HydrophobicContact CB-CD2 3.95Å; L323-L333 HydrophobicContact CD1-CD2 4.03Å; L323-L333 WeakPolarHBondContact O-CD1 3.26Å
324I97.9Very high97Very high0 Ų044 Ų440%022%0.223CC..Hα-helixtrans-64.6-36.2178.5-73.2171000111.1C320 S321 L333 W334 R337 F421 Q434C320-I324 HydrophobicContact CB-CD1 4.48Å; C320-I324 VanDerWaalsContact O-CB 3.23Å; C320-I324 WeakPolarHBondContact O-CB 3.38Å; C320-I324 WeakPolarHBondContact O-CD1 3.44Å; C320-I324 WeakPolarHBondContact O-CG1 3.1Å; C320-I324 PolarHBondContact O-N 2.88Å; S321-I324 PolarHBondContact O-N 3.44Å; I324-L333 HydrophobicContact CD1-CB 4.31Å; I324-L333 HydrophobicContact CG1-CB 3.59Å; I324-L333 HydrophobicContact CG1-CD1 4.19Å; I324-W334 HydrophobicContact CD1-CD2 4.2Å; I324-W334 HydrophobicContact CD1-CE3 4.43Å; I324-W334 HydrophobicContact CG2-CH2 4.23Å; I324-W334 HydrophobicContact CG2-CZ2 3.53Å; I324-R337 HydrophobicContact CD1-CB 4.23Å; I324-F421 HydrophobicContact CB-CZ 4.3Å; I324-F421 HydrophobicContact CD1-CE1 4.43Å; I324-F421 HydrophobicContact CD1-CZ 4.33Å; I324-F421 HydrophobicContact CG2-CZ 3.98Å; I324-Q434 PolarHBondContact O-NE2 3.06Å
325Q95.9Very high97.2Very high110 Ų11042.6 Ų42.651%0.51422%0.224SC..Hα-helixtrans-75.9-41.5177.1-71.7176.20.200112.1S321 D322 L323 I425S321-Q325 WeakPolarHBondContact O-CB 3.17Å; S321-Q325 VanDerWaalsContact O-CG 3.29Å; S321-Q325 WeakPolarHBondContact O-CG 3.39Å; S321-Q325 PolarHBondContact O-N 3.14Å; D322-Q325 PolarHBondContact O-N 3.21Å; L323-Q325 VanDerWaalsContact C-N 3.29Å; L323-Q325 PolarHBondContact O-N 3.36Å; Q325-I425 HydrophobicContact CG-CD1 3.89Å
326S96.8Very high97.4Very high79 Ų7936.5 Ų36.555%0.55220%0.196SC*.Hα-helixtrans-75.2-32.9-177.8-57.60000112.8D322 L323D322-S326 WeakPolarHBondContact O-CB 3.21Å; D322-S326 PolarHBondContact O-N 3.45Å; D322-S326 PolarHBondContact O-OG 3.11Å; L323-S326 PolarHBondContact O-N 3.41Å
327F96.7Very high97.4Very high89 Ų8936.5 Ų36.539%0.3920%0.195SC..SBendtrans-130.475.9-175.3-51.3-77000110.1V240 L323 H330V240-F327 HydrophobicContact CG1-CB 4.43Å; V240-F327 HydrophobicContact CG1-CD2 3.67Å; V240-F327 HydrophobicContact CG1-CE2 4.1Å; V240-F327 HydrophobicContact CG1-CG 4.09Å; V240-F327 HydrophobicContact CG2-CB 4.16Å; V240-F327 HydrophobicContact CG2-CG 4.29Å; L323-F327 HydrophobicContact CD2-CD2 3.99Å; L323-F327 HydrophobicContact CD2-CE2 3.86Å; L323-F327 WeakPolarHBondContact O-CA 3.28Å; L323-F327 WeakPolarHBondContact O-CB 3.35Å; L323-F327 PolarHBondContact O-N 3.45Å; F327-H330 PolarHBondContact O-CD2 2.92Å; F327-H330 VanDerWaalsContact O-CD2 3.3Å
328P96.3Very high97.5Very high56 Ų5640.2 Ų40.236%0.36421%0.208SC..THydrogen-bonded Turntrans-68.9147.4-179.629.1-35.3000111.7N431 Q434P328-N431 HydrophobicContact CB-CB 4.35Å; P328-Q434 HydrophobicContact CB-CB 3.99Å; P328-Q434 HydrophobicContact CB-CG 3.85Å
329G95.4Very high97.6Very high9 Ų939.6 Ų39.69%0.09321%0.206CC..THydrogen-bonded Turntrans95.610.717400000115.1Y437G329-Y437 WeakPolarHBondContact O-CE2 3.41Å
330H97.4Very high97.6Very high51 Ų5139.1 Ų39.124%0.23620%0.203CC..  trans-100.7106178.3-68.7-95.8000111.8S241 F327 T332 L333S241-H330 PolarHBondContact OG-CE1 3.46Å; S241-H330 PolarHBondContact OG-ND1 3.14Å; F327-H330 PolarHBondContact O-CD2 2.92Å; F327-H330 VanDerWaalsContact O-CD2 3.3Å; H330-T332 PolarHBondContact O-N 2.93Å; H330-T332 VanDerWaalsContact O-N 3.15Å; H330-L333 HydrophobicContact CB-CD1 3.96Å; H330-L333 HydrophobicContact CB-CG 3.93Å; H330-L333 PolarHBondContact O-N 3.25Å; H330-L333 VanDerWaalsContact O-N 3.12Å
331E98Very high97.5Very high101 Ų10139.2 Ų39.247%0.47220%0.203SC..Hα-helixtrans-54.4-34.1177-171.5171.1-170.200112.8L333 W334 S335 Y437E331-L333 VanDerWaalsContact C-N 3.3Å; E331-L333 PolarHBondContact O-N 3.14Å; E331-W334 PolarHBondContact O-N 3.07Å; E331-S335 VanDerWaalsContact O-CB 3.32Å; E331-S335 WeakPolarHBondContact O-CB 3.47Å; E331-S335 PolarHBondContact O-N 2.76Å; E331-S335 PolarHBondContact O-OG 2.89Å; E331-Y437 HydrophobicContact CB-CD1 4.24Å; E331-Y437 HydrophobicContact CB-CE1 3.63Å; E331-Y437 HydrophobicContact CB-CE2 4.05Å; E331-Y437 HydrophobicContact CG-CD1 4.11Å; E331-Y437 HydrophobicContact CG-CE1 3.67Å
332T98.4Very high97.4Very high5 Ų543 Ų433%0.03122%0.216CC..Hα-helixtrans-52.9-46.2177.5-47.10000112.4V240 S241 H243 F246 H330 S335 H336V240-T332 WeakPolarHBondContact O-CB 3.33Å; S241-T332 WeakPolarHBondContact CA-OG1 3.47Å; S241-T332 PolarHBondContact O-OG1 2.92Å; H243-T332 HydrophobicContact CB-CG2 4.25Å; H243-T332 PolarHBondContact CD2-OG1 3.37Å; H243-T332 WeakPolarHBondContact CE1-CA 3.48Å; H243-T332 PolarHBondContact CE1-OG1 3.4Å; H243-T332 PolarHBondContact NE2-OG1 2.85Å; F246-T332 HydrophobicContact CB-CG2 4.38Å; F246-T332 HydrophobicContact CD2-CG2 3.44Å; F246-T332 VanDerWaalsContact CD2-CG2 3.44Å; F246-T332 HydrophobicContact CE2-CG2 4.06Å; F246-T332 HydrophobicContact CG-CG2 4.21Å; H330-T332 PolarHBondContact O-N 2.93Å; H330-T332 VanDerWaalsContact O-N 3.15Å; T332-S335 PolarHBondContact O-N 2.93Å; T332-H336 VanDerWaalsContact O-CB 3.31Å; T332-H336 WeakPolarHBondContact O-CB 3.44Å; T332-H336 PolarHBondContact O-N 3.11Å
333L98.6Very high97.1Very high2 Ų239.7 Ų39.71%0.0120%0.199CC..Hα-helixtrans-68.5-42.2-176-59-180000111.3V240 F246 L323 I324 H330 E331 H336 R337V240-L333 HydrophobicContact CB-CD1 4.31Å; V240-L333 HydrophobicContact CB-CD2 4.15Å; V240-L333 HydrophobicContact CB-CG 4.48Å; F246-L333 HydrophobicContact CE1-CD2 4.2Å; F246-L333 HydrophobicContact CE2-CD2 3.63Å; F246-L333 HydrophobicContact CZ-CD2 3.36Å; L323-L333 HydrophobicContact CB-CD1 3.84Å; L323-L333 HydrophobicContact CB-CD2 3.95Å; L323-L333 HydrophobicContact CD1-CD2 4.03Å; L323-L333 WeakPolarHBondContact O-CD1 3.26Å; I324-L333 HydrophobicContact CD1-CB 4.31Å; I324-L333 HydrophobicContact CG1-CB 3.59Å; I324-L333 HydrophobicContact CG1-CD1 4.19Å; H330-L333 HydrophobicContact CB-CD1 3.96Å; H330-L333 HydrophobicContact CB-CG 3.93Å; H330-L333 PolarHBondContact O-N 3.25Å; H330-L333 VanDerWaalsContact O-N 3.12Å; E331-L333 VanDerWaalsContact C-N 3.3Å; E331-L333 PolarHBondContact O-N 3.14Å; L333-H336 PolarHBondContact O-N 3.47Å; L333-R337 WeakPolarHBondContact O-CB 3.39Å; L333-R337 PolarHBondContact O-N 3.34Å
334W98.3Very high96.9Very high9 Ų939.8 Ų39.83%0.03420%0.198CC..Hα-helixtrans-67.4-40.7176.5-7296.2000112.5I324 E331 H336 R337 R338 F421 V422 I425 Y437 A438 Y441I324-W334 HydrophobicContact CD1-CD2 4.2Å; I324-W334 HydrophobicContact CD1-CE3 4.43Å; I324-W334 HydrophobicContact CG2-CH2 4.23Å; I324-W334 HydrophobicContact CG2-CZ2 3.53Å; E331-W334 PolarHBondContact O-N 3.07Å; W334-H336 VanDerWaalsContact C-N 3.29Å; W334-H336 PolarHBondContact O-N 2.6Å; W334-R337 PolarHBondContact O-N 3.34Å; W334-R338 WeakPolarHBondContact O-CB 3.27Å; W334-R338 PolarHBondContact O-N 2.66Å; W334-F421 HydrophobicContact CH2-CE1 4.13Å; W334-F421 HydrophobicContact CZ3-CE1 4.28Å; W334-V422 HydrophobicContact CZ3-CG2 4.31Å; W334-I425 HydrophobicContact CH2-CB 4.48Å; W334-I425 HydrophobicContact CH2-CG1 4.36Å; W334-I425 HydrophobicContact CH2-CG2 4.33Å; W334-I425 HydrophobicContact CZ2-CG2 4.09Å; W334-Y437 VanDerWaalsContact CD1-CB 3.44Å; W334-Y437 HydrophobicContact CG-CG 4.47Å; W334-A438 HydrophobicContact CH2-CB 3.51Å; W334-A438 HydrophobicContact CZ2-CB 3.73Å; W334-A438 HydrophobicContact CZ3-CB 4.18Å; W334-Y441 HydrophobicContact CE3-CD1 4.23Å; W334-Y441 HydrophobicContact CE3-CD2 4.03Å; W334-Y441 AromaticContact CE3-CG 3.69Å; W334-Y441 HydrophobicContact CE3-CG 3.69Å; W334-Y441 AromaticContact CZ3-CD1 3.94Å; W334-Y441 HydrophobicContact CZ3-CD1 3.94Å; W334-Y441 AromaticContact CZ3-CG 3.85Å; W334-Y441 HydrophobicContact CZ3-CG 3.85Å
335S98.4Very high96.5Very high45 Ų4540.8 Ų40.832%0.31520%0.203SC..Hα-helixtrans-62.9-38.8173.6-62.30000111.4E331 T332 H339E331-S335 VanDerWaalsContact O-CB 3.32Å; E331-S335 WeakPolarHBondContact O-CB 3.47Å; E331-S335 PolarHBondContact O-N 2.76Å; E331-S335 PolarHBondContact O-OG 2.89Å; T332-S335 PolarHBondContact O-N 2.93Å; S335-H339 PolarHBondContact O-N 2.98Å
336H98.6Very high96.1Very high2 Ų239.2 Ų39.21%0.00920%0.196CC..Hα-helixtrans-68.7-49.2176.5-177.567.8000112.1F246 Q250 E316 C320 T332 L333 W334 R338 H339 V340F246-H336 HydrophobicContact CB-CB 4.08Å; F246-H336 HydrophobicContact CD1-CB 3.94Å; F246-H336 AromaticContact CD1-CD2 3.32Å; F246-H336 WeakPolarHBondContact CD1-CD2 3.39Å; F246-H336 AromaticContact CD1-CE1 3.84Å; F246-H336 AromaticContact CD1-CG 3.38Å; F246-H336 AromaticContact CD1-ND1 3.7Å; F246-H336 AromaticContact CD1-NE2 3.63Å; F246-H336 AromaticContact CE1-CD2 3.75Å; F246-H336 HydrophobicContact CG-CB 4.1Å; F246-H336 AromaticContact CG-CG 3.92Å; F246-H336 PolarHBondContact O-ND1 3.31Å; Q250-H336 WeakPolarHBondContact CG-ND1 3.42Å; Q250-H336 PolarHBondContact NE2-ND1 3.22Å; E316-H336 IonicContact OE1-CE1 2.85Å; E316-H336 IonicContact OE1-NE2 2.69Å; E316-H336 PolarHBondContact OE1-NE2 2.82Å; E316-H336 VanDerWaalsContact OE1-NE2 3.1Å; C320-H336 PolarHBondContact SG-CD2 2.88Å; T332-H336 VanDerWaalsContact O-CB 3.31Å; T332-H336 WeakPolarHBondContact O-CB 3.44Å; T332-H336 PolarHBondContact O-N 3.11Å; L333-H336 PolarHBondContact O-N 3.47Å; W334-H336 VanDerWaalsContact C-N 3.29Å; W334-H336 PolarHBondContact O-N 2.6Å; H336-R338 VanDerWaalsContact C-N 3.26Å; H336-R338 PolarHBondContact O-N 2.77Å; H336-H339 WeakPolarHBondContact O-CB 3.34Å; H336-H339 PolarHBondContact O-N 3.05Å; H336-V340 WeakPolarHBondContact O-CG2 3.44Å; H336-V340 PolarHBondContact O-N 3.46Å
337R98.3Very high95.7Very high5 Ų536.6 Ų36.62%0.01917%0.174CC..Hα-helixtrans-54.2-43.4174.9-167.7-173.7-174.31003.7111.6C320 S321 I324 L333 W334 H339 V340 Y341 E418 F421 Y441C320-R337 HydrophobicContact CB-CB 4.06Å; C320-R337 HydrophobicContact CB-CG 4.05Å; S321-R337 PolarHBondContact OG-NH1 3.15Å; I324-R337 HydrophobicContact CD1-CB 4.23Å; L333-R337 WeakPolarHBondContact O-CB 3.39Å; L333-R337 PolarHBondContact O-N 3.34Å; W334-R337 PolarHBondContact O-N 3.34Å; R337-H339 VanDerWaalsContact C-N 3.32Å; R337-H339 PolarHBondContact O-N 2.75Å; R337-V340 PolarHBondContact O-N 2.56Å; R337-Y341 WeakPolarHBondContact O-CB 3.49Å; R337-Y341 PolarHBondContact O-N 3.33Å; R337-E418 IonicContact CZ-OE1 3.2Å; R337-E418 IonicContact CZ-OE2 2.71Å; R337-E418 IonicContact NE-OE1 3.55Å; R337-E418 IonicContact NE-OE2 3.62Å; R337-E418 PolarHBondContact NE-OE2 2.85Å; R337-E418 IonicContact NH2-OE1 2.89Å; R337-E418 PolarHBondContact NH2-OE1 2.88Å; R337-E418 IonicContact NH2-OE2 2.82Å; R337-E418 PolarHBondContact NH2-OE2 3.24Å; R337-F421 VanDerWaalsContact NH1-CZ 3.28Å; R337-Y441 HydrophobicContact CB-CE2 4.32Å; R337-Y441 HydrophobicContact CG-CE2 4.27Å
338R97.6Very high95.1Very high84 Ų8434.5 Ų34.532%0.31716%0.163SC..Hα-helixtrans-56-47176-179.2-178.5-80.3166.7-3111.6W334 H336 Y342 A440 Y441 W444W334-R338 WeakPolarHBondContact O-CB 3.27Å; W334-R338 PolarHBondContact O-N 2.66Å; H336-R338 VanDerWaalsContact C-N 3.26Å; H336-R338 PolarHBondContact O-N 2.77Å; R338-Y342 VanDerWaalsContact O-CB 3.24Å; R338-Y342 WeakPolarHBondContact O-CB 3.29Å; R338-Y342 PolarHBondContact O-N 3.28Å; R338-A440 PolarHBondContact NH2-O 3.36Å; R338-A440 VanDerWaalsContact NH2-O 3.1Å; R338-Y441 HydrophobicContact CB-CD2 4.06Å; R338-Y441 HydrophobicContact CB-CE2 3.81Å; R338-W444 HydrophobicContact CB-CH2 4.47Å; R338-W444 HydrophobicContact CB-CZ3 4.38Å; R338-W444 HydrophobicContact CG-CD2 3.68Å; R338-W444 HydrophobicContact CG-CE3 3.8Å; R338-W444 HydrophobicContact CG-CG 4.4Å; R338-W444 HydrophobicContact CG-CH2 3.64Å; R338-W444 HydrophobicContact CG-CZ2 3.53Å; R338-W444 HydrophobicContact CG-CZ3 3.78Å; R338-W444 VanDerWaalsContact NE-CG 3.3Å; R338-W444 VanDerWaalsContact NH2-CB 3.29Å; R338-W444 WeakPolarHBondContact O-CH2 3.5Å
339H97.8Very high94.4Very high62 Ų6233.6 Ų33.629%0.28715%0.154SC..Hα-helixtrans-67.3-45179.7-168.893.2000112.4Q250 S335 H336 R337 Y341 Y342 L343Q250-H339 VanDerWaalsContact CD-CG 3.48Å; Q250-H339 HydrophobicContact CG-CB 4.17Å; Q250-H339 WeakPolarHBondContact CG-CD2 3.46Å; Q250-H339 VanDerWaalsContact NE2-CB 3.31Å; S335-H339 PolarHBondContact O-N 2.98Å; H336-H339 WeakPolarHBondContact O-CB 3.34Å; H336-H339 PolarHBondContact O-N 3.05Å; R337-H339 VanDerWaalsContact C-N 3.32Å; R337-H339 PolarHBondContact O-N 2.75Å; H339-Y341 PolarHBondContact O-N 3.46Å; H339-Y342 PolarHBondContact O-N 3.25Å; H339-L343 WeakPolarHBondContact NE2-CD1 3.45Å; H339-L343 WeakPolarHBondContact O-CG 3.42Å; H339-L343 PolarHBondContact O-N 2.85Å
340V97.2Very high93.7Very high0 Ų036.7 Ų36.70%017%0.169CC..Hα-helixtrans-59.1-48.91791730000110.3L253 F313 E316 H336 R337 Y342 L343 W344L253-V340 HydrophobicContact CD1-CG2 4.07Å; F313-V340 HydrophobicContact CD1-CG1 3.72Å; F313-V340 WeakPolarHBondContact CD1-O 3.08Å; F313-V340 HydrophobicContact CE1-CG1 4.1Å; F313-V340 VanDerWaalsContact CE1-O 3.25Å; F313-V340 WeakPolarHBondContact CE1-O 3.46Å; E316-V340 HydrophobicContact CB-CG1 4.01Å; E316-V340 HydrophobicContact CG-CG1 4.03Å; E316-V340 HydrophobicContact CG-CG2 3.71Å; H336-V340 WeakPolarHBondContact O-CG2 3.44Å; H336-V340 PolarHBondContact O-N 3.46Å; R337-V340 PolarHBondContact O-N 2.56Å; V340-Y342 PolarHBondContact O-N 3.44Å; V340-L343 PolarHBondContact O-N 3.35Å; V340-W344 PolarHBondContact O-N 2.89Å; V340-W344 VanDerWaalsContact O-N 3.1Å
341Y95.9Very high92.6Very high4 Ų436.2 Ų36.22%0.01617%0.166CC..Hα-helixtrans-65.6-38.8178.8-173.2-96.9000112.3R337 H339 W344 H345 L415 E418 W444 L445 I449R337-Y341 WeakPolarHBondContact O-CB 3.49Å; R337-Y341 PolarHBondContact O-N 3.33Å; H339-Y341 PolarHBondContact O-N 3.46Å; Y341-W344 PolarHBondContact O-N 3.04Å; Y341-H345 HydrophobicContact CE1-CB 4.34Å; Y341-H345 VanDerWaalsContact O-CB 3.31Å; Y341-H345 WeakPolarHBondContact O-CB 3.39Å; Y341-H345 PolarHBondContact O-N 2.96Å; Y341-L415 WeakPolarHBondContact OH-CA 3.34Å; Y341-L415 WeakPolarHBondContact OH-CB 3.47Å; Y341-L415 PolarHBondContact OH-N 2.96Å; Y341-L415 VanDerWaalsContact OH-N 3.1Å; Y341-E418 HydrophobicContact CD2-CG 3.49Å; Y341-E418 VanDerWaalsContact CD2-CG 3.49Å; Y341-E418 HydrophobicContact CE1-CG 4.49Å; Y341-E418 HydrophobicContact CE2-CB 4.49Å; Y341-E418 HydrophobicContact CE2-CG 3.37Å; Y341-E418 HydrophobicContact CG-CG 4.13Å; Y341-W444 HydrophobicContact CD1-CH2 4.01Å; Y341-W444 HydrophobicContact CD1-CZ3 4.09Å; Y341-L445 HydrophobicContact CD1-CD2 4.04Å; Y341-L445 HydrophobicContact CE1-CD2 3.92Å; Y341-I449 HydrophobicContact CD1-CD1 4.48Å; Y341-I449 HydrophobicContact CD1-CG1 4.39Å; Y341-I449 HydrophobicContact CE1-CD1 4.4Å; Y341-I449 HydrophobicContact CE1-CG1 4.11Å; Y341-I449 HydrophobicContact CE1-CG2 3.98Å
342Y95.1Very high91.2Very high88 Ų8836 Ų3635%0.34517%0.169SC..Hα-helixtrans-59.9-47.4175.3176.7-101.6000112.5R338 H339 V340 W344 H345 H346 W444 I449R338-Y342 VanDerWaalsContact O-CB 3.24Å; R338-Y342 WeakPolarHBondContact O-CB 3.29Å; R338-Y342 PolarHBondContact O-N 3.28Å; H339-Y342 PolarHBondContact O-N 3.25Å; V340-Y342 PolarHBondContact O-N 3.44Å; Y342-W344 VanDerWaalsContact C-N 3.34Å; Y342-W344 PolarHBondContact O-N 3.19Å; Y342-H345 PolarHBondContact O-N 2.9Å; Y342-H346 PolarHBondContact O-N 3.11Å; Y342-W444 HydrophobicContact CD2-CZ2 4.36Å; Y342-I449 HydrophobicContact CD2-CD1 4.39Å
343L93.4Very high89.5Confident23 Ų2340.9 Ų40.912%0.1219%0.193CC..Hα-helixtrans-60.4-43.9177.1-73-179.3000111.7L257 F313 H339 V340 W347L257-L343 HydrophobicContact CD1-CB 4.28Å; F313-L343 HydrophobicContact CE1-CB 3.73Å; F313-L343 HydrophobicContact CZ-CB 3.88Å; F313-L343 HydrophobicContact CZ-CD1 4.43Å; H339-L343 WeakPolarHBondContact NE2-CD1 3.45Å; H339-L343 WeakPolarHBondContact O-CG 3.42Å; H339-L343 PolarHBondContact O-N 2.85Å; V340-L343 PolarHBondContact O-N 3.35Å; L343-W347 VanDerWaalsContact O-CB 3.29Å; L343-W347 WeakPolarHBondContact O-CB 3.25Å; L343-W347 PolarHBondContact O-N 2.9Å; L343-W347 VanDerWaalsContact O-N 3.08Å
344W92.2Very high87.5Confident11 Ų1144.6 Ų44.64%0.04222%0.219CC..Hα-helixtrans-60.6-50.3176.5169.3-108.4000112.3V309 F310 F313 V340 Y341 Y342 H346 W347 R348 L413V309-W344 HydrophobicContact CG1-CZ3 4.14Å; F310-W344 HydrophobicContact CB-CH2 3.91Å; F310-W344 HydrophobicContact CB-CZ3 4.28Å; F310-W344 AromaticContact CD2-CH2 3.55Å; F310-W344 HydrophobicContact CD2-CH2 3.55Å; F310-W344 AromaticContact CD2-CZ2 3.86Å; F310-W344 HydrophobicContact CD2-CZ2 3.86Å; F310-W344 HydrophobicContact CD2-CZ3 4.45Å; F310-W344 HydrophobicContact CE2-CZ2 4.47Å; F310-W344 HydrophobicContact CG-CH2 4.21Å; F313-W344 HydrophobicContact CB-CB 4.45Å; F313-W344 HydrophobicContact CB-CD2 4.29Å; F313-W344 HydrophobicContact CB-CE3 3.82Å; F313-W344 HydrophobicContact CB-CZ3 4.43Å; F313-W344 HydrophobicContact CD1-CB 3.64Å; F313-W344 HydrophobicContact CD2-CE3 4.02Å; F313-W344 HydrophobicContact CE1-CB 4.12Å; F313-W344 HydrophobicContact CG-CB 4.04Å; F313-W344 HydrophobicContact CG-CD2 4.46Å; F313-W344 AromaticContact CG-CE3 3.86Å; F313-W344 HydrophobicContact CG-CE3 3.86Å; V340-W344 PolarHBondContact O-N 2.89Å; V340-W344 VanDerWaalsContact O-N 3.1Å; Y341-W344 PolarHBondContact O-N 3.04Å; Y342-W344 VanDerWaalsContact C-N 3.34Å; Y342-W344 PolarHBondContact O-N 3.19Å; W344-H346 PolarHBondContact O-N 3.4Å; W344-W347 HydrophobicContact CE3-CE3 4.22Å; W344-W347 HydrophobicContact CH2-CZ3 4.34Å; W344-W347 HydrophobicContact CZ3-CE3 4Å; W344-W347 AromaticContact CZ3-CZ3 3.86Å; W344-W347 HydrophobicContact CZ3-CZ3 3.86Å; W344-W347 PolarHBondContact O-N 3.28Å; W344-R348 HydrophobicContact CD2-CG 4.08Å; W344-R348 HydrophobicContact CE3-CG 4.38Å; W344-R348 HydrophobicContact CH2-CG 4.07Å; W344-R348 VanDerWaalsContact CH2-NH2 3.3Å; W344-R348 HydrophobicContact CZ2-CG 3.72Å; W344-R348 HydrophobicContact CZ3-CG 4.37Å; W344-R348 PolarHBondContact O-N 2.91Å; W344-L413 HydrophobicContact CD2-CB 4.42Å; W344-L413 HydrophobicContact CD2-CD1 3.88Å; W344-L413 HydrophobicContact CE3-CD1 4.25Å; W344-L413 HydrophobicContact CG-CD1 4.32Å; W344-L413 HydrophobicContact CH2-CD1 4.26Å; W344-L413 HydrophobicContact CZ2-CB 4Å; W344-L413 HydrophobicContact CZ2-CD1 3.91Å; W344-L413 HydrophobicContact CZ3-CD1 4.44Å; W344-L413 VanDerWaalsContact NE1-CB 3.27Å; W344-L413 PolarHBondContact NE1-O 3.39Å
345H90.3Very high85.4Confident22 Ų2247.3 Ų47.310%0.10224%0.239CC..Hα-helixtrans-60.9-47.3-176.6-177.3-93.7000111.5Y341 Y342 R348 Q349 I449Y341-H345 HydrophobicContact CE1-CB 4.34Å; Y341-H345 VanDerWaalsContact O-CB 3.31Å; Y341-H345 WeakPolarHBondContact O-CB 3.39Å; Y341-H345 PolarHBondContact O-N 2.96Å; Y342-H345 PolarHBondContact O-N 2.9Å; H345-R348 PolarHBondContact O-N 3.35Å; H345-Q349 VanDerWaalsContact CE1-CD 3.49Å; H345-Q349 PolarHBondContact CE1-NE2 3.48Å; H345-Q349 WeakPolarHBondContact O-CG 3.44Å; H345-Q349 PolarHBondContact O-N 3.02Å; H345-Q349 VanDerWaalsContact O-N 3.08Å; H345-I449 WeakPolarHBondContact NE2-CG2 3.3Å
346H88.3Confident82.9Confident77 Ų7749.1 Ų49.136%0.35625%0.248SC..Hα-helixtrans-65.1-44.7179-164.4-63.2000111.9Y342 W344 R348 Q349 D350Y342-H346 PolarHBondContact O-N 3.11Å; W344-H346 PolarHBondContact O-N 3.4Å; H346-R348 VanDerWaalsContact C-N 3.28Å; H346-R348 PolarHBondContact O-N 2.68Å; H346-Q349 PolarHBondContact O-N 3.22Å; H346-D350 IonicContact CE1-OD1 3.55Å; H346-D350 PolarHBondContact CE1-OD1 3.04Å; H346-D350 IonicContact CE1-OD2 3.4Å; H346-D350 PolarHBondContact CE1-OD2 2.89Å; H346-D350 VanDerWaalsContact CE1-OD2 3.32Å; H346-D350 IonicContact ND1-OD1 3.57Å; H346-D350 IonicContact ND1-OD2 3.55Å; H346-D350 PolarHBondContact ND1-OD2 3.25Å; H346-D350 PolarHBondContact O-N 3.16Å
347W87.6Confident80.1Confident24 Ų2451.5 Ų51.59%0.09127%0.273CS..Hα-helixtrans-61-38.2178.1177.884000111.9L257 I306 V309 L343 W344 D350 Q351L257-W347 HydrophobicContact CD2-CD2 4.27Å; L257-W347 HydrophobicContact CD2-CG 3.96Å; I306-W347 HydrophobicContact CB-CH2 4.45Å; I306-W347 HydrophobicContact CG1-CH2 4.15Å; I306-W347 HydrophobicContact CG2-CH2 4.42Å; V309-W347 HydrophobicContact CB-CH2 3.88Å; V309-W347 HydrophobicContact CB-CZ2 4.02Å; V309-W347 HydrophobicContact CB-CZ3 4.25Å; V309-W347 HydrophobicContact CG1-CD2 3.99Å; V309-W347 HydrophobicContact CG1-CE3 3.89Å; V309-W347 HydrophobicContact CG1-CH2 3.89Å; V309-W347 HydrophobicContact CG1-CZ2 3.98Å; V309-W347 HydrophobicContact CG1-CZ3 3.84Å; V309-W347 HydrophobicContact CG2-CH2 4.26Å; V309-W347 HydrophobicContact CG2-CZ2 3.91Å; L343-W347 VanDerWaalsContact O-CB 3.29Å; L343-W347 WeakPolarHBondContact O-CB 3.25Å; L343-W347 PolarHBondContact O-N 2.9Å; L343-W347 VanDerWaalsContact O-N 3.08Å; W344-W347 HydrophobicContact CE3-CE3 4.22Å; W344-W347 HydrophobicContact CH2-CZ3 4.34Å; W344-W347 HydrophobicContact CZ3-CE3 4Å; W344-W347 AromaticContact CZ3-CZ3 3.86Å; W344-W347 HydrophobicContact CZ3-CZ3 3.86Å; W344-W347 PolarHBondContact O-N 3.28Å; W347-D350 PolarHBondContact O-N 3.39Å; W347-Q351 HydrophobicContact CD2-CG 4.3Å; W347-Q351 HydrophobicContact CH2-CG 4.13Å; W347-Q351 HydrophobicContact CZ2-CG 3.89Å; W347-Q351 HydrophobicContact CZ3-CG 4.43Å; W347-Q351 WeakPolarHBondContact O-CG 3.27Å; W347-Q351 PolarHBondContact O-N 2.85Å
348R84.4Confident77.2Confident45 Ų4558.4 Ų58.417%0.1730%0.303CS..Hα-helixtrans-64.1-46.6175-83.3-67.2-168.8175.71.9112.6W344 H345 H346 D350 Q351 D352W344-R348 HydrophobicContact CD2-CG 4.08Å; W344-R348 HydrophobicContact CE3-CG 4.38Å; W344-R348 HydrophobicContact CH2-CG 4.07Å; W344-R348 VanDerWaalsContact CH2-NH2 3.3Å; W344-R348 HydrophobicContact CZ2-CG 3.72Å; W344-R348 HydrophobicContact CZ3-CG 4.37Å; W344-R348 PolarHBondContact O-N 2.91Å; H345-R348 PolarHBondContact O-N 3.35Å; H346-R348 VanDerWaalsContact C-N 3.28Å; H346-R348 PolarHBondContact O-N 2.68Å; R348-D350 VanDerWaalsContact C-N 3.3Å; R348-D350 PolarHBondContact O-N 2.72Å; R348-Q351 PolarHBondContact O-N 3.42Å; R348-Q351 VanDerWaalsContact O-N 3.12Å; R348-D352 PolarHBondContact O-N 3.48Å
349Q81.9Confident74.3Confident36 Ų3661.8 Ų61.817%0.16832%0.323CS..Hα-helixtrans-58.3-42.9177.2-73.9-172.9-25.900111.8H345 H346 Q351 D352 I353 Q452H345-Q349 VanDerWaalsContact CE1-CD 3.49Å; H345-Q349 PolarHBondContact CE1-NE2 3.48Å; H345-Q349 WeakPolarHBondContact O-CG 3.44Å; H345-Q349 PolarHBondContact O-N 3.02Å; H345-Q349 VanDerWaalsContact O-N 3.08Å; H346-Q349 PolarHBondContact O-N 3.22Å; Q349-Q351 VanDerWaalsContact C-N 3.27Å; Q349-Q351 PolarHBondContact O-N 2.84Å; Q349-D352 PolarHBondContact O-N 3.23Å; Q349-I353 VanDerWaalsContact O-CG1 3.32Å; Q349-I353 WeakPolarHBondContact O-CG1 3.18Å; Q349-I353 PolarHBondContact O-N 3.38Å; Q349-I353 VanDerWaalsContact O-N 3.1Å; Q349-Q452 PolarHBondContact NE2-O 3.21Å; Q349-Q452 VanDerWaalsContact NE2-O 3.09Å
350D79.9Confident71.3Confident75 Ų7564.8 Ų64.840%0.40134%0.341SS..Hα-helixtrans-61.1-35.1177.6-66.2-31.7000112.4H346 W347 R348 C354H346-D350 IonicContact CE1-OD1 3.55Å; H346-D350 PolarHBondContact CE1-OD1 3.04Å; H346-D350 IonicContact CE1-OD2 3.4Å; H346-D350 PolarHBondContact CE1-OD2 2.89Å; H346-D350 VanDerWaalsContact CE1-OD2 3.32Å; H346-D350 IonicContact ND1-OD1 3.57Å; H346-D350 IonicContact ND1-OD2 3.55Å; H346-D350 PolarHBondContact ND1-OD2 3.25Å; H346-D350 PolarHBondContact O-N 3.16Å; W347-D350 PolarHBondContact O-N 3.39Å; R348-D350 VanDerWaalsContact C-N 3.3Å; R348-D350 PolarHBondContact O-N 2.72Å; D350-C354 WeakPolarHBondContact O-CB 3.28Å; D350-C354 PolarHBondContact O-N 3.23Å
351Q74.4Confident68.4Low40 Ų4073.4 Ų73.419%0.18738%0.381CS..Hα-helixtrans-73.4-39.3177.5-66.8-62.3-44.600112.9W347 R348 Q349 C354 S355W347-Q351 HydrophobicContact CD2-CG 4.3Å; W347-Q351 HydrophobicContact CH2-CG 4.13Å; W347-Q351 HydrophobicContact CZ2-CG 3.89Å; W347-Q351 HydrophobicContact CZ3-CG 4.43Å; W347-Q351 WeakPolarHBondContact O-CG 3.27Å; W347-Q351 PolarHBondContact O-N 2.85Å; R348-Q351 PolarHBondContact O-N 3.42Å; R348-Q351 VanDerWaalsContact O-N 3.12Å; Q349-Q351 VanDerWaalsContact C-N 3.27Å; Q349-Q351 PolarHBondContact O-N 2.84Å; Q351-C354 PolarHBondContact O-N 2.6Å; Q351-S355 WeakPolarHBondContact O-CB 3.32Å; Q351-S355 PolarHBondContact O-N 3.19Å; Q351-S355 PolarHBondContact O-OG 3.18Å
352D68.8Low65.5Low97 Ų9780.5 Ų80.552%0.51942%0.418SS..Hα-helixtrans-66.5-41179.3-68.7-23.1000110.5R348 Q349 C354 S355 V356R348-D352 PolarHBondContact O-N 3.48Å; Q349-D352 PolarHBondContact O-N 3.23Å; D352-C354 VanDerWaalsContact C-N 3.35Å; D352-C354 PolarHBondContact O-N 2.85Å; D352-S355 PolarHBondContact O-N 3.12Å; D352-V356 WeakPolarHBondContact O-CG2 3.31Å; D352-V356 PolarHBondContact O-N 3.44Å
353I62.2Low62.5Low108 Ų10885.5 Ų85.555%0.55444%0.442SS*.Hα-helixtrans-61.5-43.2173.9-65.2166000111.2Q349 S355 V356 G357Q349-I353 VanDerWaalsContact O-CG1 3.32Å; Q349-I353 WeakPolarHBondContact O-CG1 3.18Å; Q349-I353 PolarHBondContact O-N 3.38Å; Q349-I353 VanDerWaalsContact O-N 3.1Å; I353-S355 VanDerWaalsContact C-N 3.28Å; I353-S355 PolarHBondContact O-N 3.38Å; I353-V356 PolarHBondContact O-N 3.44Å; I353-G357 PolarHBondContact O-N 3.42Å
354C56.8Low59.6Low80 Ų8090.3 Ų90.354%0.54148%0.475SS..Hα-helixtrans-67.9-29179.6-155.20000112.6D350 Q351 D352D350-C354 WeakPolarHBondContact O-CB 3.28Å; D350-C354 PolarHBondContact O-N 3.23Å; Q351-C354 PolarHBondContact O-N 2.6Å; D352-C354 VanDerWaalsContact C-N 3.35Å; D352-C354 PolarHBondContact O-N 2.85Å
355S54.8Low56.6Low66 Ų6696.7 Ų96.746%0.46252%0.515SS..Hα-helixtrans-76.3-42.1177.2-56.70000112Q351 D352 I353 G357 K358 E359Q351-S355 WeakPolarHBondContact O-CB 3.32Å; Q351-S355 PolarHBondContact O-N 3.19Å; Q351-S355 PolarHBondContact O-OG 3.18Å; D352-S355 PolarHBondContact O-N 3.12Å; I353-S355 VanDerWaalsContact C-N 3.28Å; I353-S355 PolarHBondContact O-N 3.38Å; S355-G357 VanDerWaalsContact C-N 3.28Å; S355-G357 PolarHBondContact O-N 3.49Å; S355-K358 PolarHBondContact O-N 3.5Å; S355-K358 VanDerWaalsContact O-N 3.13Å; S355-E359 PolarHBondContact O-N 2.95Å
356V45.2Very low53.7Low82 Ų8298.5 Ų98.550%0.49754%0.54SS..Hα-helixtrans-65.7-30.4176.8174.60000112.1D352 I353 K358 E359 N360D352-V356 WeakPolarHBondContact O-CG2 3.31Å; D352-V356 PolarHBondContact O-N 3.44Å; I353-V356 PolarHBondContact O-N 3.44Å; V356-K358 VanDerWaalsContact C-N 3.26Å; V356-K358 PolarHBondContact O-N 2.89Å; V356-E359 PolarHBondContact O-N 3.49Å; V356-N360 PolarHBondContact O-ND2 2.97Å
357G39.8Very low50.9Low53 Ų53103.2 Ų103.255%0.54657%0.566SS.*Hα-helixtrans-63.9-26.6173.500000114.3I353 S355I353-G357 PolarHBondContact O-N 3.42Å; S355-G357 VanDerWaalsContact C-N 3.28Å; S355-G357 PolarHBondContact O-N 3.49Å
358K38.7Very low48Very low149 Ų149109.4 Ų109.465%0.64860%0.601SS**Hα-helixtrans-88.1-25.4178.7-71.4-174175.8-175.50113.6S355 V356S355-K358 PolarHBondContact O-N 3.5Å; S355-K358 VanDerWaalsContact O-N 3.13Å; V356-K358 VanDerWaalsContact C-N 3.26Å; V356-K358 PolarHBondContact O-N 2.89Å
359E36.7Very low45.3Very low156 Ų156115.6 Ų115.673%0.72963%0.632SS**Hα-helixtrans-79.6-19.1179.1-72.5-171.1158.100113.8S355 V356 E361S355-E359 PolarHBondContact O-N 2.95Å; V356-E359 PolarHBondContact O-N 3.49Å; E359-E361 VanDerWaalsContact C-N 3.29Å; E359-E361 PolarHBondContact O-N 2.98Å
360N34.4Very low43.3Very low125 Ų125119.5 Ų119.567%0.66866%0.66SS**THydrogen-bonded Turntrans-76.8-2.3-177.8-82.8-36.2000115.5V356V356-N360 PolarHBondContact O-ND2 2.97Å
361E34.9Very low40.6Very low180 Ų180119.9 Ų119.984%0.84168%0.682SS**THydrogen-bonded Turntrans-95.1-2.3176.6-77.7-164.9154.800115.2E359E359-E361 VanDerWaalsContact C-N 3.29Å; E359-E361 PolarHBondContact O-N 2.98Å
362L34.9Very low38.2Very low153 Ų153121.3 Ų121.380%0.80171%0.708SS**  trans-121.981.5179.4-79.7150000111.5
363K32.1Very low36.2Very low193 Ų193122.4 Ų122.484%0.83972%0.723SS**PPolyproline II helixtrans-95.1123.5161.1-78.5-174.3178.41780110.5
364P32.4Very low34.5Very low125 Ų125127.1 Ų127.181%0.81274%0.743SS**PPolyproline II helixtrans-95.4131.1152.36.213.4000110
365T29.4Very low33.1Very low144 Ų144127.2 Ų127.288%0.88376%0.757SS**PPolyproline II helixtrans-68.3127.9179.7-31.70000112.1
366G29.4Very low31.7Very low61 Ų61134 Ų13463%0.62978%0.778SS**  trans46.1134.7142.600000122.4
367I29.8Very low30.7Very low176 Ų176135.2 Ų135.290%0.90379%0.79SS**  -174.9144114.9-85.2150.6000109.2
368N28Very low30.1Very low153 Ų153139.8 Ų139.882%0.81881%0.807SS**  trans-70144.7-171.3-65.6-40.7000116.1
369E27.7Very low29.4Very low176 Ų176139.1 Ų139.182%0.82281%0.81SS**  trans6.9169.4139.1-74-115.1157.200121.9
370P38.6Very low28.9Very low117 Ų117141.1 Ų141.176%0.7681%0.811SS**  cis-141.5172.16.323.62000117.5
371G23.5Very low28.6Very low83 Ų83142.5 Ų142.586%0.85681%0.813SS**  trans127.1122133.400000120.4
372G24.3Very low28.1Very low71 Ų71143 Ų14373%0.73281%0.813SS**  trans116.1104.8134.200000121.1
373S25.9Very low27.7Very low120 Ų120144.8 Ų144.884%0.83982%0.817SS**  75.2116127.1-45.20000123.2
374Q28.1Very low27.3Very low207 Ų207141 Ų14197%0.96781%0.809SS**  trans32.6132135.6-67.1-174-6.100122
375G25.7Very low26.9Very low81 Ų81140.9 Ų140.984%0.83581%0.812SS**  trans-172125.4159.400000114.3
376K26.1Very low26.8Very low208 Ų208139.8 Ų139.890%0.90481%0.805SS**  trans-80.7152.6-168.2-70.5163.1171.71740115.4
377S24.7Very low27.2Very low108 Ų108142.2 Ų142.276%0.75581%0.809SS**  trans-10135.8141.5177.60000118.1
378V27.4Very low27.1Very low149 Ų149143.1 Ų143.190%0.90381%0.812SS**  trans-152.2148.4130.6-175.10000110.5
379D24.4Very low27.1Very low135 Ų135144.3 Ų144.372%0.72281%0.813SS**  trans-96-178.9-164.3-163.44.7000114.2
380R25.9Very low27.3Very low199 Ų199142.1 Ų142.175%0.75181%0.811SS**  trans85.6140.1160.1-67.4-177157.7-175.5-8.7118.9
381H26.5Very low26.6Very low153 Ų153143.4 Ų143.471%0.70881%0.812SS**  cis-158152.520.1-110.6-1.4000113.2
382K25.4Very low26.7Very low190 Ų190150.9 Ų150.983%0.82681%0.814SS**  trans-81.3147.8167.7-75.3176.6174176.40111.4
383H25.7Very low27Very low192 Ų192153.6 Ų153.689%0.88982%0.816SS**  trans-136.7129.2152-117.1-75.1000110.9
384V24.1Very low27Very low112 Ų112153.1 Ų153.168%0.67981%0.813SS**  trans-103.9141.6176.7170.10000107.8V386V384-V386 HydrophobicContact CG1-CG2 3.83Å
385S24.5Very low26.9Very low124 Ų124151.9 Ų151.987%0.86781%0.812SS**  trans-149.8137.3149.844.20000109.6
386V27.5Very low27.1Very low121 Ų121151.9 Ų151.973%0.73380%0.797SS**  trans-117.3-178-175.5-150.40000108V384V384-V386 HydrophobicContact CG1-CG2 3.83Å
387P38.5Very low27.4Very low111 Ų111148.3 Ų148.372%0.72179%0.788SS**  -117.9-178.2-107.941.4-23.3000113.4
388M27.1Very low27.7Very low195 Ų195149.2 Ų149.296%0.96178%0.78SS**  trans-154.8136.4148.5-103.3-170.5128.100111.6
389E28.6Very low28.3Very low179 Ų179149.1 Ų149.184%0.83677%0.774SS**  trans-84.9162.7-179.7-69.6176.1132.200113
390V30.1Very low28.9Very low130 Ų130146.4 Ų146.479%0.78877%0.766SS**  170.9121.6102.3171.40000111.6
391D24.5Very low29.2Very low144 Ų144144.7 Ų144.777%0.7776%0.764SS**  trans28.5124.2150.9-73.6-28.7000125.2
392R26.6Very low29.7Very low240 Ų240148.9 Ų148.991%0.90677%0.773SS**  -171.5119.796.5-105.9-173.5-171.4-179.54113.8
393V29.2Very low30.6Very low128 Ų128145.8 Ų145.878%0.77677%0.765SS**  trans1.1114.7153.9-171.80000118.9
394S25.5Very low31Very low110 Ų110147.7 Ų147.777%0.76977%0.765SS**  trans-157123140.9-69.10000105.1P396S394-P396 WeakPolarHBondContact O-CD 3.47Å
395L28Very low31.5Very low181 Ų181153.5 Ų153.595%0.94877%0.774SS**  trans-82.6117.7-178.8-78.3161.5000110.4
396P28.3Very low32.1Very low81 Ų81151.9 Ų151.953%0.52678%0.777SS.*  trans-108.5146.9158.819.42.9000110.9S394 H398S394-P396 WeakPolarHBondContact O-CD 3.47Å; P396-H398 PolarHBondContact O-CD2 3.49Å; P396-H398 PolarHBondContact O-N 3.5Å
397D33.1Very low32.8Very low133 Ų133152 Ų15271%0.71177%0.772SS**  trans-33.2102.4163.1-176.919.7000113.1
398H31.9Very low33.3Very low127 Ų127152.7 Ų152.759%0.58877%0.77SS**  trans-11618.4-172.2-95.1-59.4000114.1P396P396-H398 PolarHBondContact O-CD2 3.49Å; P396-H398 PolarHBondContact O-N 3.5Å
399D38.3Very low34.5Very low147 Ų147145.8 Ų145.879%0.78674%0.736SS**SBendtrans-98.1-11.3178.5-73.8-32.2000114.5
400S38.2Very low35.7Very low78 Ų78139.9 Ų139.955%0.54571%0.713SS.*SBendtrans-87.3-11.9-18053.40000114.9
401K32.3Very low37.2Very low163 Ų163138.1 Ų138.171%0.70970%0.699SS**SBendtrans-104.3-8.5-171.4-69.9-177.6-177.8171.90115.8L403K401-L403 VanDerWaalsContact C-N 3.31Å; K401-L403 PolarHBondContact O-N 2.97Å
402R36.8Very low39.6Very low241 Ų241134.6 Ų134.691%0.90968%0.68SS**THydrogen-bonded Turntrans-81.7-6.7-179.9-141.8175.2179.9-174.3-1.1114.3
403L43.3Very low42.3Very low125 Ų125123.6 Ų123.665%0.65464%0.64SS**THydrogen-bonded Turntrans-93.16.6-174-80.4157.1000115.7K401 L409K401-L403 VanDerWaalsContact C-N 3.31Å; K401-L403 PolarHBondContact O-N 2.97Å; L403-L409 HydrophobicContact CD2-CD1 4.4Å
404R35Very low45.1Very low232 Ų232119.7 Ų119.788%0.87562%0.616SS**  trans-98.221.9-174-78.7-160.3-174.8-168.22.9116.8
405R34.9Very low48.2Very low233 Ų233116.4 Ų116.488%0.87959%0.589SS**SBendtrans-135.495.2169.6-78.7-175178.5164.9-0.5112.4I407R405-I407 PolarHBondContact O-N 3.45Å
406G37.4Very low51.3Low90 Ų90113.8 Ų113.893%0.92857%0.572SS**  trans6021.5134.900000120
407I40.6Very low54.3Low124 Ų124112.8 Ų112.864%0.63656%0.563SS**  trans-91.5123.7162.4-59.5174.1000106.3R405 L409R405-I407 PolarHBondContact O-N 3.45Å; I407-L409 VanDerWaalsContact C-N 3.32Å; I407-L409 PolarHBondContact O-N 3.39Å
408L48.8Very low57.3Low126 Ų126106.7 Ų106.766%0.6653%0.53SS*.  trans-53.997.7170.2-79.1155.6000108.3P410 N411L408-P410 WeakPolarHBondContact O-CD 3.49Å; L408-P410 VanDerWaalsContact O-N 3.09Å; L408-N411 PolarHBondContact O-N 3.33Å; L408-N411 VanDerWaalsContact O-N 3.08Å
409L52.9Low60.3Low49 Ų49101.9 Ų101.926%0.25751%0.508SS..G310 helixtrans-42.5-43.3-177.2-125.876.3000113.2T307 F310 L403 I407 N411T307-L409 HydrophobicContact CG2-CD2 4.04Å; F310-L409 HydrophobicContact CD1-CB 4.24Å; F310-L409 HydrophobicContact CD1-CD2 3.51Å; F310-L409 HydrophobicContact CD1-CG 3.76Å; F310-L409 HydrophobicContact CE1-CB 4.17Å; F310-L409 HydrophobicContact CE1-CD2 3.83Å; F310-L409 HydrophobicContact CE1-CG 3.58Å; F310-L409 WeakPolarHBondContact CE2-O 3.3Å; F310-L409 HydrophobicContact CG-CD2 4.45Å; F310-L409 HydrophobicContact CZ-CG 4.39Å; F310-L409 WeakPolarHBondContact CZ-O 3.49Å; L403-L409 HydrophobicContact CD2-CD1 4.4Å; I407-L409 VanDerWaalsContact C-N 3.32Å; I407-L409 PolarHBondContact O-N 3.39Å; L409-N411 PolarHBondContact O-N 2.79Å
410P54.8Low63Low55 Ų5598.7 Ų98.736%0.35749%0.494SS..G310 helixtrans-59.2-20.7-177.7-26.135.8000116.3L408 L412L408-P410 WeakPolarHBondContact O-CD 3.49Å; L408-P410 VanDerWaalsContact O-N 3.09Å; P410-L412 VanDerWaalsContact C-N 3.3Å; P410-L412 PolarHBondContact O-N 3.44Å
411N60.7Low65.7Low93 Ų9396.2 Ų96.250%0.49747%0.473SS..G310 helixtrans-81.7-1.4-169.7-69-10.9000114.7L408 L409 T414 N417L408-N411 PolarHBondContact O-N 3.33Å; L408-N411 VanDerWaalsContact O-N 3.08Å; L409-N411 PolarHBondContact O-N 2.79Å; N411-T414 WeakPolarHBondContact O-CG2 3.19Å; N411-N417 PolarHBondContact O-ND2 2.97Å
412L74.1Confident68.8Low71 Ų7188.4 Ų88.437%0.37244%0.439SS..G310 helixtrans-86.6-24.6-177.7-60.5174.7000113.8F310 Y314 P410 N417F310-L412 HydrophobicContact CE2-CB 4.46Å; F310-L412 HydrophobicContact CZ-CB 4.01Å; F310-L412 HydrophobicContact CZ-CD1 4.25Å; F310-L412 HydrophobicContact CZ-CG 4.48Å; Y314-L412 HydrophobicContact CD2-CB 4.19Å; Y314-L412 HydrophobicContact CD2-CD1 4.25Å; Y314-L412 HydrophobicContact CE2-CB 4.17Å; Y314-L412 HydrophobicContact CE2-CD1 3.84Å; P410-L412 VanDerWaalsContact C-N 3.3Å; P410-L412 PolarHBondContact O-N 3.44Å; L412-N417 VanDerWaalsContact CA-ND2 3.33Å; L412-N417 WeakPolarHBondContact CA-ND2 3.38Å; L412-N417 PolarHBondContact O-ND2 3.01Å
413L84.1Confident71.6Confident9 Ų979.5 Ų79.55%0.04741%0.409CS..SBendtrans-10750.8180-65.3173.5000111.4F310 F313 T317 W344F310-L413 HydrophobicContact CD2-CD1 4.03Å; F310-L413 HydrophobicContact CE2-CB 4.37Å; F310-L413 HydrophobicContact CE2-CD1 3.83Å; F310-L413 HydrophobicContact CE2-CG 3.94Å; F313-L413 HydrophobicContact CB-CD1 3.75Å; T317-L413 HydrophobicContact CG2-CD2 3.95Å; W344-L413 HydrophobicContact CD2-CB 4.42Å; W344-L413 HydrophobicContact CD2-CD1 3.88Å; W344-L413 HydrophobicContact CE3-CD1 4.25Å; W344-L413 HydrophobicContact CG-CD1 4.32Å; W344-L413 HydrophobicContact CH2-CD1 4.26Å; W344-L413 HydrophobicContact CZ2-CB 4Å; W344-L413 HydrophobicContact CZ2-CD1 3.91Å; W344-L413 HydrophobicContact CZ3-CD1 4.44Å; W344-L413 VanDerWaalsContact NE1-CB 3.27Å; W344-L413 PolarHBondContact NE1-O 3.39Å
414T88.3Confident74.1Confident45 Ų4576.6 Ų76.628%0.27640%0.399SS..  trans-97.6156.7179.661.60000111.2N411 Q416 N417 E418N411-T414 WeakPolarHBondContact O-CG2 3.19Å; T414-Q416 PolarHBondContact O-N 2.91Å; T414-N417 PolarHBondContact O-N 3.43Å; T414-N417 VanDerWaalsContact OG1-CG 3.25Å; T414-N417 PolarHBondContact OG1-N 2.74Å; T414-N417 PolarHBondContact OG1-ND2 3Å; T414-E418 PolarHBondContact O-N 3.11Å; T414-E418 VanDerWaalsContact O-N 3.1Å
415L91Very high76.9Confident41 Ų4166 Ų6622%0.21536%0.36CS..Hα-helixtrans-55.1-38.1173-179.759.5000111.6Y341 N417 E418 H419 L445 I449Y341-L415 WeakPolarHBondContact OH-CA 3.34Å; Y341-L415 WeakPolarHBondContact OH-CB 3.47Å; Y341-L415 PolarHBondContact OH-N 2.96Å; Y341-L415 VanDerWaalsContact OH-N 3.1Å; L415-N417 VanDerWaalsContact C-N 3.34Å; L415-N417 PolarHBondContact O-N 2.92Å; L415-E418 PolarHBondContact O-N 3.2Å; L415-H419 PolarHBondContact O-CD2 3.36Å; L415-H419 PolarHBondContact O-N 3.07Å; L415-L445 HydrophobicContact CD1-CB 4.12Å; L415-L445 HydrophobicContact CD1-CD2 3.96Å; L415-L445 HydrophobicContact CD1-CG 4.47Å; L415-I449 HydrophobicContact CD1-CB 4.46Å; L415-I449 HydrophobicContact CD1-CG2 3.97Å; L415-I449 HydrophobicContact CD2-CG2 4.39Å
416Q91.8Very high79.8Confident127 Ų12756.6 Ų56.659%0.59333%0.327SS*.Hα-helixtrans-61.6-40.6176.4-175.157.152.900112.4T414 H419 T420T414-Q416 PolarHBondContact O-N 2.91Å; Q416-H419 PolarHBondContact O-N 3.45Å; Q416-T420 PolarHBondContact O-N 3.03Å; Q416-T420 PolarHBondContact O-OG1 2.8Å
417N92.3Very high82.4Confident60 Ų6059.2 Ų59.232%0.32132%0.32SS..Hα-helixtrans-70.1-36.6178-67.9-12.1000111.8N411 L412 T414 L415 T420 F421N411-N417 PolarHBondContact O-ND2 2.97Å; L412-N417 VanDerWaalsContact CA-ND2 3.33Å; L412-N417 WeakPolarHBondContact CA-ND2 3.38Å; L412-N417 PolarHBondContact O-ND2 3.01Å; T414-N417 PolarHBondContact O-N 3.43Å; T414-N417 VanDerWaalsContact OG1-CG 3.25Å; T414-N417 PolarHBondContact OG1-N 2.74Å; T414-N417 PolarHBondContact OG1-ND2 3Å; L415-N417 VanDerWaalsContact C-N 3.34Å; L415-N417 PolarHBondContact O-N 2.92Å; N417-T420 WeakPolarHBondContact O-CB 3.45Å; N417-T420 PolarHBondContact O-N 2.76Å; N417-F421 PolarHBondContact O-N 3.13Å
418E95.1Very high84.6Confident5 Ų557.2 Ų57.22%0.02332%0.317CS..Hα-helixtrans-63-42.6172.9-75.2-60.3116.500111.7R337 Y341 T414 L415 T420 F421 V422 Y441 L445R337-E418 IonicContact CZ-OE1 3.2Å; R337-E418 IonicContact CZ-OE2 2.71Å; R337-E418 IonicContact NE-OE1 3.55Å; R337-E418 IonicContact NE-OE2 3.62Å; R337-E418 PolarHBondContact NE-OE2 2.85Å; R337-E418 IonicContact NH2-OE1 2.89Å; R337-E418 PolarHBondContact NH2-OE1 2.88Å; R337-E418 IonicContact NH2-OE2 2.82Å; R337-E418 PolarHBondContact NH2-OE2 3.24Å; Y341-E418 HydrophobicContact CD2-CG 3.49Å; Y341-E418 VanDerWaalsContact CD2-CG 3.49Å; Y341-E418 HydrophobicContact CE1-CG 4.49Å; Y341-E418 HydrophobicContact CE2-CB 4.49Å; Y341-E418 HydrophobicContact CE2-CG 3.37Å; Y341-E418 HydrophobicContact CG-CG 4.13Å; T414-E418 PolarHBondContact O-N 3.11Å; T414-E418 VanDerWaalsContact O-N 3.1Å; L415-E418 PolarHBondContact O-N 3.2Å; E418-T420 VanDerWaalsContact C-N 3.33Å; E418-T420 PolarHBondContact O-N 2.71Å; E418-F421 PolarHBondContact O-N 3.24Å; E418-V422 WeakPolarHBondContact O-CG2 3.37Å; E418-V422 PolarHBondContact O-N 2.96Å; E418-Y441 WeakPolarHBondContact OE2-CE1 3.26Å; E418-Y441 PolarHBondContact OE2-OH 3.22Å; E418-L445 HydrophobicContact CB-CD1 3.88Å; E418-L445 HydrophobicContact CB-CD2 4.32Å
419H95.3Very high85.9Confident26 Ų2652.6 Ų52.612%0.1230%0.295CS..Hα-helixtrans-60.5-42.7172.5-76.8-59.4000112.3L415 Q416 V422 N423 D446L415-H419 PolarHBondContact O-CD2 3.36Å; L415-H419 PolarHBondContact O-N 3.07Å; Q416-H419 PolarHBondContact O-N 3.45Å; H419-V422 PolarHBondContact O-N 2.99Å; H419-N423 VanDerWaalsContact O-CB 3.29Å; H419-N423 WeakPolarHBondContact O-CB 3.45Å; H419-N423 PolarHBondContact O-N 3.25Å; H419-N423 PolarHBondContact O-ND2 3.19Å; H419-D446 IonicContact CE1-OD1 2.75Å; H419-D446 PolarHBondContact CE1-OD1 3.29Å; H419-D446 IonicContact ND1-OD1 2.89Å; H419-D446 IonicContact NE2-OD1 3.48Å
420T95.4Very high87.1Confident80 Ų8056.8 Ų56.849%0.49133%0.327SS..Hα-helixtrans-59.6-46.6176.3-58.40000111.3Q416 N417 E418 S424Q416-T420 PolarHBondContact O-N 3.03Å; Q416-T420 PolarHBondContact O-OG1 2.8Å; N417-T420 WeakPolarHBondContact O-CB 3.45Å; N417-T420 PolarHBondContact O-N 2.76Å; E418-T420 VanDerWaalsContact C-N 3.33Å; E418-T420 PolarHBondContact O-N 2.71Å; T420-S424 WeakPolarHBondContact O-CB 3.36Å; T420-S424 PolarHBondContact O-N 3.3Å
421F95.3Very high88.9Confident25 Ų2556.8 Ų56.811%0.1132%0.324CS..Hα-helixtrans-58.3-52.3177171.7-98.5000111.6I324 W334 R337 N417 E418 N423 S424 I425I324-F421 HydrophobicContact CB-CZ 4.3Å; I324-F421 HydrophobicContact CD1-CE1 4.43Å; I324-F421 HydrophobicContact CD1-CZ 4.33Å; I324-F421 HydrophobicContact CG2-CZ 3.98Å; W334-F421 HydrophobicContact CH2-CE1 4.13Å; W334-F421 HydrophobicContact CZ3-CE1 4.28Å; R337-F421 VanDerWaalsContact NH1-CZ 3.28Å; N417-F421 PolarHBondContact O-N 3.13Å; E418-F421 PolarHBondContact O-N 3.24Å; F421-N423 PolarHBondContact O-N 3.24Å; F421-S424 VanDerWaalsContact O-CB 3.31Å; F421-S424 WeakPolarHBondContact O-CB 3.36Å; F421-S424 PolarHBondContact O-N 3.09Å; F421-S424 VanDerWaalsContact O-N 3.16Å; F421-I425 HydrophobicContact CE1-CG1 4.23Å; F421-I425 HydrophobicContact CE2-CD1 4.42Å; F421-I425 HydrophobicContact CE2-CG1 4.39Å; F421-I425 HydrophobicContact CZ-CD1 4.32Å; F421-I425 HydrophobicContact CZ-CG1 4.07Å; F421-I425 PolarHBondContact O-N 3.25Å; F421-I425 VanDerWaalsContact O-N 3.11Å
422V96.3Very high90.5Very high0 Ų055.8 Ų55.80%033%0.329CS..Hα-helixtrans-66.8-40.8-175.5-177.90000111.6W334 E418 H419 S424 I425 L426 A438 Y441 K442 L445W334-V422 HydrophobicContact CZ3-CG2 4.31Å; E418-V422 WeakPolarHBondContact O-CG2 3.37Å; E418-V422 PolarHBondContact O-N 2.96Å; H419-V422 PolarHBondContact O-N 2.99Å; V422-S424 VanDerWaalsContact C-N 3.3Å; V422-S424 PolarHBondContact O-N 3.01Å; V422-I425 PolarHBondContact O-N 3.07Å; V422-L426 HydrophobicContact CG1-CD1 4.14Å; V422-L426 HydrophobicContact CG1-CG 4.44Å; V422-L426 WeakPolarHBondContact O-CG 3.38Å; V422-L426 PolarHBondContact O-N 3.21Å; V422-A438 HydrophobicContact CG1-CB 4.21Å; V422-A438 WeakPolarHBondContact CG1-O 3.33Å; V422-Y441 HydrophobicContact CG2-CD1 3.35Å; V422-Y441 HydrophobicContact CG2-CE1 3.6Å; V422-K442 HydrophobicContact CG1-CB 3.86Å; V422-L445 HydrophobicContact CG2-CD1 4.31Å
423N95.8Very high91.5Very high53 Ų5357.6 Ų57.628%0.28334%0.335SS..Hα-helixtrans-64-36.6175.2-70.3-34.7000111.5H419 F421 I425 L426 N427 K442H419-N423 VanDerWaalsContact O-CB 3.29Å; H419-N423 WeakPolarHBondContact O-CB 3.45Å; H419-N423 PolarHBondContact O-N 3.25Å; H419-N423 PolarHBondContact O-ND2 3.19Å; F421-N423 PolarHBondContact O-N 3.24Å; N423-I425 VanDerWaalsContact C-N 3.34Å; N423-I425 PolarHBondContact O-N 3.3Å; N423-L426 PolarHBondContact O-N 2.85Å; N423-N427 WeakPolarHBondContact O-CB 3.13Å; N423-N427 PolarHBondContact O-N 3.1Å; N423-N427 PolarHBondContact O-ND2 3.35Å; N423-K442 PolarHBondContact OD1-NZ 3.26Å
424S95.6Very high92.1Very high64 Ų6457.3 Ų57.345%0.44833%0.334SS..Hα-helixtrans-59.4-44.1173.6-1750000111.7T420 F421 V422 N427 S428T420-S424 WeakPolarHBondContact O-CB 3.36Å; T420-S424 PolarHBondContact O-N 3.3Å; F421-S424 VanDerWaalsContact O-CB 3.31Å; F421-S424 WeakPolarHBondContact O-CB 3.36Å; F421-S424 PolarHBondContact O-N 3.09Å; F421-S424 VanDerWaalsContact O-N 3.16Å; V422-S424 VanDerWaalsContact C-N 3.3Å; V422-S424 PolarHBondContact O-N 3.01Å; S424-N427 PolarHBondContact O-N 3.2Å; S424-S428 WeakPolarHBondContact O-CB 3.48Å; S424-S428 PolarHBondContact O-N 3.49Å; S424-S428 PolarHBondContact O-OG 3.42Å
425I95.3Very high92.5Very high9 Ų957.8 Ų57.85%0.04633%0.334CS..Hα-helixtrans-64.1-48175.3-59.6-61.1000111.2Q325 W334 F421 V422 N423 N427 S428 C429 Q434 A438Q325-I425 HydrophobicContact CG-CD1 3.89Å; W334-I425 HydrophobicContact CH2-CB 4.48Å; W334-I425 HydrophobicContact CH2-CG1 4.36Å; W334-I425 HydrophobicContact CH2-CG2 4.33Å; W334-I425 HydrophobicContact CZ2-CG2 4.09Å; F421-I425 HydrophobicContact CE1-CG1 4.23Å; F421-I425 HydrophobicContact CE2-CD1 4.42Å; F421-I425 HydrophobicContact CE2-CG1 4.39Å; F421-I425 HydrophobicContact CZ-CD1 4.32Å; F421-I425 HydrophobicContact CZ-CG1 4.07Å; F421-I425 PolarHBondContact O-N 3.25Å; F421-I425 VanDerWaalsContact O-N 3.11Å; V422-I425 PolarHBondContact O-N 3.07Å; N423-I425 VanDerWaalsContact C-N 3.34Å; N423-I425 PolarHBondContact O-N 3.3Å; I425-N427 VanDerWaalsContact C-N 3.26Å; I425-N427 PolarHBondContact O-N 2.85Å; I425-S428 PolarHBondContact O-N 3.04Å; I425-S428 PolarHBondContact O-OG 2.99Å; I425-C429 HydrophobicContact CG2-CB 4.26Å; I425-C429 WeakPolarHBondContact O-CB 3.43Å; I425-C429 PolarHBondContact O-N 2.97Å; I425-Q434 HydrophobicContact CG2-CG 3.99Å; I425-A438 HydrophobicContact CG2-CB 4.22Å
426L94.6Very high92.8Very high37 Ų3760.9 Ų60.919%0.19435%0.351CS..Hα-helixtrans-60.4-35.2-179.5-70.8171.8000112.9V422 N423 A438 V439 K442V422-L426 HydrophobicContact CG1-CD1 4.14Å; V422-L426 HydrophobicContact CG1-CG 4.44Å; V422-L426 WeakPolarHBondContact O-CG 3.38Å; V422-L426 PolarHBondContact O-N 3.21Å; N423-L426 PolarHBondContact O-N 2.85Å; L426-A438 HydrophobicContact CD2-CB 3.64Å; L426-A438 HydrophobicContact CG-CB 4.02Å; L426-V439 HydrophobicContact CD2-CG2 3.69Å; L426-K442 HydrophobicContact CD1-CD 4.08Å
427N91.9Very high93.1Very high144 Ų14457.6 Ų57.677%0.7733%0.334SS*.Hα-helixtrans-77.3-23.4-180-68.6-19.6000113.6N423 S424 I425N423-N427 WeakPolarHBondContact O-CB 3.13Å; N423-N427 PolarHBondContact O-N 3.1Å; N423-N427 PolarHBondContact O-ND2 3.35Å; S424-N427 PolarHBondContact O-N 3.2Å; I425-N427 VanDerWaalsContact C-N 3.26Å; I425-N427 PolarHBondContact O-N 2.85Å
428S87.3Confident93.3Very high83 Ų8354.7 Ų54.758%0.5832%0.318SS*.Hα-helixtrans-108.3-13.5-173.557.40000114.2S424 I425S424-S428 WeakPolarHBondContact O-CB 3.48Å; S424-S428 PolarHBondContact O-N 3.49Å; S424-S428 PolarHBondContact O-OG 3.42Å; I425-S428 PolarHBondContact O-N 3.04Å; I425-S428 PolarHBondContact O-OG 2.99Å
429C76.9Confident93.4Very high29 Ų2958 Ų5820%0.19634%0.339CS..  trans-89.6124.6-166.5-174.90000114.2I425 N431 Q434I425-C429 HydrophobicContact CG2-CB 4.26Å; I425-C429 WeakPolarHBondContact O-CB 3.43Å; I425-C429 PolarHBondContact O-N 2.97Å; C429-N431 PolarHBondContact SG-N 3.39Å; C429-N431 PolarHBondContact SG-O 3.03Å; C429-Q434 HydrophobicContact CB-CG 4.49Å; C429-Q434 VanDerWaalsContact SG-CB 3.51Å; C429-Q434 WeakPolarHBondContact SG-CG 3.31Å
430C77.6Confident93.5Very high137 Ų13759 Ų5993%0.92635%0.351SS*.  trans-93.6-10.6169-550000113.8
431N92.8Very high93.6Very high55 Ų5555.3 Ų55.329%0.29433%0.328SS..  trans-81.9126.3179.1178.7-58000110.8P328 C429 E433 Q434 N435P328-N431 HydrophobicContact CB-CB 4.35Å; C429-N431 PolarHBondContact SG-N 3.39Å; C429-N431 PolarHBondContact SG-O 3.03Å; N431-E433 PolarHBondContact OD1-N 3Å; N431-Q434 HydrophobicContact CB-CB 3.91Å; N431-Q434 WeakPolarHBondContact OD1-CB 3.48Å; N431-Q434 PolarHBondContact OD1-N 3.4Å; N431-N435 PolarHBondContact O-N 3.41Å; N431-N435 VanDerWaalsContact O-N 3.08Å
432A94Very high93.7Very high72 Ų7257.2 Ų57.260%0.59534%0.337SS*.Hα-helixtrans-69.6-42.1-175.200000113.4N435 N436A432-N435 PolarHBondContact O-N 3.25Å; A432-N436 VanDerWaalsContact O-CG 3.27Å; A432-N436 PolarHBondContact O-N 2.93Å; A432-N436 PolarHBondContact O-ND2 3.35Å
433E95.3Very high93.8Very high108 Ų10864 Ų6451%0.50537%0.366SS..Hα-helixtrans-64.4-45.9178.6-65.5177.215100110.5N431 N435 N436 Y437N431-E433 PolarHBondContact OD1-N 3Å; E433-N435 VanDerWaalsContact C-N 3.31Å; E433-N435 PolarHBondContact O-N 3.08Å; E433-N436 WeakPolarHBondContact O-CB 3.42Å; E433-N436 PolarHBondContact O-N 3.32Å; E433-N436 VanDerWaalsContact O-N 3.17Å; E433-Y437 HydrophobicContact CB-CD2 4.46Å; E433-Y437 HydrophobicContact CB-CE2 3.88Å; E433-Y437 WeakPolarHBondContact O-CD2 3.38Å; E433-Y437 PolarHBondContact O-N 3.48Å
434Q96.6Very high93.8Very high4 Ų462.9 Ų62.92%0.01936%0.358CS..Hα-helixtrans-58.7-41.6175.4-176.873.8-11.700112.2I324 P328 I425 C429 N431 Y437 A438I324-Q434 PolarHBondContact O-NE2 3.06Å; P328-Q434 HydrophobicContact CB-CB 3.99Å; P328-Q434 HydrophobicContact CB-CG 3.85Å; I425-Q434 HydrophobicContact CG2-CG 3.99Å; C429-Q434 HydrophobicContact CB-CG 4.49Å; C429-Q434 VanDerWaalsContact SG-CB 3.51Å; C429-Q434 WeakPolarHBondContact SG-CG 3.31Å; N431-Q434 HydrophobicContact CB-CB 3.91Å; N431-Q434 WeakPolarHBondContact OD1-CB 3.48Å; N431-Q434 PolarHBondContact OD1-N 3.4Å; Q434-Y437 PolarHBondContact O-N 3.35Å; Q434-A438 VanDerWaalsContact O-CB 3.29Å; Q434-A438 WeakPolarHBondContact O-CB 3.21Å; Q434-A438 PolarHBondContact O-N 3.46Å
435N96.4Very high93.8Very high55 Ų5559.8 Ų59.829%0.29434%0.337SS..Hα-helixtrans-62.2-47.1175.7-168-68000110.9N431 A432 E433 Y437 A438 V439N431-N435 PolarHBondContact O-N 3.41Å; N431-N435 VanDerWaalsContact O-N 3.08Å; A432-N435 PolarHBondContact O-N 3.25Å; E433-N435 VanDerWaalsContact C-N 3.31Å; E433-N435 PolarHBondContact O-N 3.08Å; N435-Y437 PolarHBondContact O-N 2.95Å; N435-A438 PolarHBondContact O-N 3.18Å; N435-V439 WeakPolarHBondContact O-CG2 3.29Å; N435-V439 PolarHBondContact O-N 3.35Å
436N96.9Very high93.8Very high106 Ų10663 Ų6357%0.56735%0.354SS*.Hα-helixtrans-58-45.8177.7-69.3-24000112.1A432 E433 V439 A440A432-N436 VanDerWaalsContact O-CG 3.27Å; A432-N436 PolarHBondContact O-N 2.93Å; A432-N436 PolarHBondContact O-ND2 3.35Å; E433-N436 WeakPolarHBondContact O-CB 3.42Å; E433-N436 PolarHBondContact O-N 3.32Å; E433-N436 VanDerWaalsContact O-N 3.17Å; N436-V439 PolarHBondContact O-N 2.88Å; N436-A440 WeakPolarHBondContact O-CB 3.37Å; N436-A440 PolarHBondContact O-N 3.25Å
437Y97.8Very high93.6Very high57 Ų5765.1 Ų65.122%0.22437%0.368CS..Hα-helixtrans-67-40.5178.4-59-45.5000112.4G329 E331 W334 E433 Q434 N435 A440 Y441G329-Y437 WeakPolarHBondContact O-CE2 3.41Å; E331-Y437 HydrophobicContact CB-CD1 4.24Å; E331-Y437 HydrophobicContact CB-CE1 3.63Å; E331-Y437 HydrophobicContact CB-CE2 4.05Å; E331-Y437 HydrophobicContact CG-CD1 4.11Å; E331-Y437 HydrophobicContact CG-CE1 3.67Å; W334-Y437 VanDerWaalsContact CD1-CB 3.44Å; W334-Y437 HydrophobicContact CG-CG 4.47Å; E433-Y437 HydrophobicContact CB-CD2 4.46Å; E433-Y437 HydrophobicContact CB-CE2 3.88Å; E433-Y437 WeakPolarHBondContact O-CD2 3.38Å; E433-Y437 PolarHBondContact O-N 3.48Å; Q434-Y437 PolarHBondContact O-N 3.35Å; N435-Y437 PolarHBondContact O-N 2.95Å; Y437-A440 PolarHBondContact O-N 2.94Å; Y437-Y441 WeakPolarHBondContact O-CB 3.44Å; Y437-Y441 PolarHBondContact O-N 3.48Å
438A97.4Very high93.4Very high0 Ų060.6 Ų60.60%035%0.346CS..Hα-helixtrans-62.7-43.2175.500000112W334 V422 I425 L426 Q434 N435 Y441 K442W334-A438 HydrophobicContact CH2-CB 3.51Å; W334-A438 HydrophobicContact CZ2-CB 3.73Å; W334-A438 HydrophobicContact CZ3-CB 4.18Å; V422-A438 HydrophobicContact CG1-CB 4.21Å; V422-A438 WeakPolarHBondContact CG1-O 3.33Å; I425-A438 HydrophobicContact CG2-CB 4.22Å; L426-A438 HydrophobicContact CD2-CB 3.64Å; L426-A438 HydrophobicContact CG-CB 4.02Å; Q434-A438 VanDerWaalsContact O-CB 3.29Å; Q434-A438 WeakPolarHBondContact O-CB 3.21Å; Q434-A438 PolarHBondContact O-N 3.46Å; N435-A438 PolarHBondContact O-N 3.18Å; A438-Y441 PolarHBondContact O-N 3.17Å; A438-K442 WeakPolarHBondContact O-CB 3.5Å; A438-K442 PolarHBondContact O-N 3.47Å
439V97.1Very high93.5Very high74 Ų7456.7 Ų56.745%0.44832%0.318SS..Hα-helixtrans-62-45.4174.4171.50000110.9L426 N435 N436 Y441 K442 K443L426-V439 HydrophobicContact CD2-CG2 3.69Å; N435-V439 WeakPolarHBondContact O-CG2 3.29Å; N435-V439 PolarHBondContact O-N 3.35Å; N436-V439 PolarHBondContact O-N 2.88Å; V439-Y441 VanDerWaalsContact C-N 3.31Å; V439-Y441 PolarHBondContact O-N 3.31Å; V439-K442 PolarHBondContact O-N 3.49Å; V439-K443 WeakPolarHBondContact O-CB 3.4Å; V439-K443 PolarHBondContact O-N 2.99Å
440A97.8Very high93.7Very high47 Ų4756.6 Ų56.639%0.38832%0.318SS..Hα-helixtrans-63.6-36.5177.900000112.5R338 N436 Y437 W444R338-A440 PolarHBondContact NH2-O 3.36Å; R338-A440 VanDerWaalsContact NH2-O 3.1Å; N436-A440 WeakPolarHBondContact O-CB 3.37Å; N436-A440 PolarHBondContact O-N 3.25Å; Y437-A440 PolarHBondContact O-N 2.94Å; A440-W444 WeakPolarHBondContact O-CB 3.32Å; A440-W444 PolarHBondContact O-N 3.25Å; A440-W444 VanDerWaalsContact O-N 3.15Å
441Y97.9Very high93.5Very high2 Ų252.1 Ų52.11%0.00829%0.291CS..Hα-helixtrans-69.4-45.7175.4-173.6-93.5000111.8W334 R337 R338 E418 V422 Y437 A438 V439 K443 W444 L445W334-Y441 HydrophobicContact CE3-CD1 4.23Å; W334-Y441 HydrophobicContact CE3-CD2 4.03Å; W334-Y441 AromaticContact CE3-CG 3.69Å; W334-Y441 HydrophobicContact CE3-CG 3.69Å; W334-Y441 AromaticContact CZ3-CD1 3.94Å; W334-Y441 HydrophobicContact CZ3-CD1 3.94Å; W334-Y441 AromaticContact CZ3-CG 3.85Å; W334-Y441 HydrophobicContact CZ3-CG 3.85Å; R337-Y441 HydrophobicContact CB-CE2 4.32Å; R337-Y441 HydrophobicContact CG-CE2 4.27Å; R338-Y441 HydrophobicContact CB-CD2 4.06Å; R338-Y441 HydrophobicContact CB-CE2 3.81Å; E418-Y441 WeakPolarHBondContact OE2-CE1 3.26Å; E418-Y441 PolarHBondContact OE2-OH 3.22Å; V422-Y441 HydrophobicContact CG2-CD1 3.35Å; V422-Y441 HydrophobicContact CG2-CE1 3.6Å; Y437-Y441 WeakPolarHBondContact O-CB 3.44Å; Y437-Y441 PolarHBondContact O-N 3.48Å; A438-Y441 PolarHBondContact O-N 3.17Å; V439-Y441 VanDerWaalsContact C-N 3.31Å; V439-Y441 PolarHBondContact O-N 3.31Å; Y441-K443 PolarHBondContact O-N 3.02Å; Y441-W444 HydrophobicContact CD2-CE3 4.29Å; Y441-W444 HydrophobicContact CE2-CE3 4.1Å; Y441-W444 AromaticContact CE2-CZ3 3.96Å; Y441-W444 HydrophobicContact CE2-CZ3 3.96Å; Y441-W444 WeakPolarHBondContact O-CB 3.32Å; Y441-W444 PolarHBondContact O-N 3.27Å; Y441-W444 VanDerWaalsContact O-N 3.13Å; Y441-L445 HydrophobicContact CD1-CD1 3.96Å; Y441-L445 HydrophobicContact CD1-CG 4.22Å; Y441-L445 HydrophobicContact CE1-CD1 3.67Å; Y441-L445 HydrophobicContact CE1-CD2 4.22Å; Y441-L445 HydrophobicContact CE1-CG 3.98Å; Y441-L445 PolarHBondContact O-N 3.25Å
442K97.1Very high92.1Very high65 Ų6552.7 Ų52.728%0.28329%0.292SS..Hα-helixtrans-56.9-49.7174.7-175.8171.6176.6172.20111.8V422 N423 L426 A438 V439 W444 L445 D446V422-K442 HydrophobicContact CG1-CB 3.86Å; N423-K442 PolarHBondContact OD1-NZ 3.26Å; L426-K442 HydrophobicContact CD1-CD 4.08Å; A438-K442 WeakPolarHBondContact O-CB 3.5Å; A438-K442 PolarHBondContact O-N 3.47Å; V439-K442 PolarHBondContact O-N 3.49Å; K442-W444 PolarHBondContact O-N 3.01Å; K442-L445 WeakPolarHBondContact O-CB 3.28Å; K442-L445 PolarHBondContact O-N 2.9Å; K442-L445 VanDerWaalsContact O-N 3.12Å; K442-D446 PolarHBondContact O-N 3.34Å
443K96.9Very high90.4Very high143 Ų14351.9 Ų51.962%0.62228%0.282SS*.Hα-helixtrans-55.8-42176.6-176.5179.2179.3-179.10111.3V439 Y441 D446 T447V439-K443 WeakPolarHBondContact O-CB 3.4Å; V439-K443 PolarHBondContact O-N 2.99Å; Y441-K443 PolarHBondContact O-N 3.02Å; K443-D446 PolarHBondContact O-N 2.99Å; K443-T447 HydrophobicContact CG-CG2 4.29Å; K443-T447 WeakPolarHBondContact O-CB 3.25Å; K443-T447 WeakPolarHBondContact O-CG2 3.48Å; K443-T447 PolarHBondContact O-N 3.3Å; K443-T447 PolarHBondContact O-OG1 3.45Å
444W97.3Very high88.4Confident29 Ų2953.7 Ų53.711%0.1129%0.294CS..Hα-helixtrans-64.8-41.9177.6169.481.7000113R338 Y341 Y342 A440 Y441 K442 D446 T447 V448 I449R338-W444 HydrophobicContact CB-CH2 4.47Å; R338-W444 HydrophobicContact CB-CZ3 4.38Å; R338-W444 HydrophobicContact CG-CD2 3.68Å; R338-W444 HydrophobicContact CG-CE3 3.8Å; R338-W444 HydrophobicContact CG-CG 4.4Å; R338-W444 HydrophobicContact CG-CH2 3.64Å; R338-W444 HydrophobicContact CG-CZ2 3.53Å; R338-W444 HydrophobicContact CG-CZ3 3.78Å; R338-W444 VanDerWaalsContact NE-CG 3.3Å; R338-W444 VanDerWaalsContact NH2-CB 3.29Å; R338-W444 WeakPolarHBondContact O-CH2 3.5Å; Y341-W444 HydrophobicContact CD1-CH2 4.01Å; Y341-W444 HydrophobicContact CD1-CZ3 4.09Å; Y342-W444 HydrophobicContact CD2-CZ2 4.36Å; A440-W444 WeakPolarHBondContact O-CB 3.32Å; A440-W444 PolarHBondContact O-N 3.25Å; A440-W444 VanDerWaalsContact O-N 3.15Å; Y441-W444 HydrophobicContact CD2-CE3 4.29Å; Y441-W444 HydrophobicContact CE2-CE3 4.1Å; Y441-W444 AromaticContact CE2-CZ3 3.96Å; Y441-W444 HydrophobicContact CE2-CZ3 3.96Å; Y441-W444 WeakPolarHBondContact O-CB 3.32Å; Y441-W444 PolarHBondContact O-N 3.27Å; Y441-W444 VanDerWaalsContact O-N 3.13Å; K442-W444 PolarHBondContact O-N 3.01Å; W444-D446 VanDerWaalsContact C-N 3.34Å; W444-D446 PolarHBondContact O-N 2.92Å; W444-T447 PolarHBondContact O-N 3.11Å; W444-V448 VanDerWaalsContact CD1-CG2 3.5Å; W444-V448 HydrophobicContact CG-CG2 4.39Å; W444-V448 WeakPolarHBondContact O-CB 3.28Å; W444-V448 PolarHBondContact O-N 2.87Å; W444-I449 HydrophobicContact CE3-CG1 4.44Å; W444-I449 HydrophobicContact CH2-CD1 3.73Å; W444-I449 HydrophobicContact CH2-CG1 3.77Å; W444-I449 HydrophobicContact CZ2-CD1 3.69Å; W444-I449 HydrophobicContact CZ2-CG1 3.94Å; W444-I449 HydrophobicContact CZ3-CD1 4.48Å; W444-I449 HydrophobicContact CZ3-CG1 4.03Å
445L95.9Very high85.8Confident0 Ų060.6 Ų60.60%033%0.331CS..Iπ-helixtrans-56.3-50.5172.3-68.1173.1000110.5Y341 L415 E418 V422 Y441 K442 T447 I449 S450Y341-L445 HydrophobicContact CD1-CD2 4.04Å; Y341-L445 HydrophobicContact CE1-CD2 3.92Å; L415-L445 HydrophobicContact CD1-CB 4.12Å; L415-L445 HydrophobicContact CD1-CD2 3.96Å; L415-L445 HydrophobicContact CD1-CG 4.47Å; E418-L445 HydrophobicContact CB-CD1 3.88Å; E418-L445 HydrophobicContact CB-CD2 4.32Å; V422-L445 HydrophobicContact CG2-CD1 4.31Å; Y441-L445 HydrophobicContact CD1-CD1 3.96Å; Y441-L445 HydrophobicContact CD1-CG 4.22Å; Y441-L445 HydrophobicContact CE1-CD1 3.67Å; Y441-L445 HydrophobicContact CE1-CD2 4.22Å; Y441-L445 HydrophobicContact CE1-CG 3.98Å; Y441-L445 PolarHBondContact O-N 3.25Å; K442-L445 WeakPolarHBondContact O-CB 3.28Å; K442-L445 PolarHBondContact O-N 2.9Å; K442-L445 VanDerWaalsContact O-N 3.12Å; L445-T447 PolarHBondContact O-N 3.41Å; L445-I449 HydrophobicContact CD2-CG1 4.19Å; L445-I449 WeakPolarHBondContact O-CB 3.5Å; L445-I449 PolarHBondContact O-N 2.86Å; L445-S450 PolarHBondContact O-N 3.24Å; L445-S450 PolarHBondContact O-OG 3.37Å
446D93.5Very high83.2Confident77 Ų7766.2 Ų66.241%0.41236%0.36SS..Iπ-helixtrans-63.6-38.2-176.7-65.8-33.7000112.9H419 K442 K443 W444 S450H419-D446 IonicContact CE1-OD1 2.75Å; H419-D446 PolarHBondContact CE1-OD1 3.29Å; H419-D446 IonicContact ND1-OD1 2.89Å; H419-D446 IonicContact NE2-OD1 3.48Å; K442-D446 PolarHBondContact O-N 3.34Å; K443-D446 PolarHBondContact O-N 2.99Å; W444-D446 VanDerWaalsContact C-N 3.34Å; W444-D446 PolarHBondContact O-N 2.92Å; D446-S450 WeakPolarHBondContact O-CB 3.29Å
447T91.4Very high82.5Confident81 Ų8164.3 Ų64.350%0.49735%0.349SS..Iπ-helixtrans-94.6-33.7-173.1600000114.3K443 W444 L445 A451K443-T447 HydrophobicContact CG-CG2 4.29Å; K443-T447 WeakPolarHBondContact O-CB 3.25Å; K443-T447 WeakPolarHBondContact O-CG2 3.48Å; K443-T447 PolarHBondContact O-N 3.3Å; K443-T447 PolarHBondContact O-OG1 3.45Å; W444-T447 PolarHBondContact O-N 3.11Å; L445-T447 PolarHBondContact O-N 3.41Å; T447-A451 VanDerWaalsContact O-CB 3.25Å; T447-A451 WeakPolarHBondContact O-CB 3.29Å
448V88Confident81.7Confident49 Ų4964.6 Ų64.630%0.29736%0.356SS..Iπ-helixtrans-101.7-51.8-172.4-177.80000110.6W444 Q452W444-V448 VanDerWaalsContact CD1-CG2 3.5Å; W444-V448 HydrophobicContact CG-CG2 4.39Å; W444-V448 WeakPolarHBondContact O-CB 3.28Å; W444-V448 PolarHBondContact O-N 2.87Å; V448-Q452 VanDerWaalsContact O-CG 3.25Å; V448-Q452 WeakPolarHBondContact O-CG 3.31Å; V448-Q452 PolarHBondContact O-N 3.33Å
449I89.6Confident80.8Confident0 Ų068.2 Ų68.20%038%0.376CS..Iπ-helixtrans-73.8-46.2-176.2-59.2-58.2000111Y341 Y342 H345 L415 W444 L445 A451 Q452 S453Y341-I449 HydrophobicContact CD1-CD1 4.48Å; Y341-I449 HydrophobicContact CD1-CG1 4.39Å; Y341-I449 HydrophobicContact CE1-CD1 4.4Å; Y341-I449 HydrophobicContact CE1-CG1 4.11Å; Y341-I449 HydrophobicContact CE1-CG2 3.98Å; Y342-I449 HydrophobicContact CD2-CD1 4.39Å; H345-I449 WeakPolarHBondContact NE2-CG2 3.3Å; L415-I449 HydrophobicContact CD1-CB 4.46Å; L415-I449 HydrophobicContact CD1-CG2 3.97Å; L415-I449 HydrophobicContact CD2-CG2 4.39Å; W444-I449 HydrophobicContact CE3-CG1 4.44Å; W444-I449 HydrophobicContact CH2-CD1 3.73Å; W444-I449 HydrophobicContact CH2-CG1 3.77Å; W444-I449 HydrophobicContact CZ2-CD1 3.69Å; W444-I449 HydrophobicContact CZ2-CG1 3.94Å; W444-I449 HydrophobicContact CZ3-CD1 4.48Å; W444-I449 HydrophobicContact CZ3-CG1 4.03Å; L445-I449 HydrophobicContact CD2-CG1 4.19Å; L445-I449 WeakPolarHBondContact O-CB 3.5Å; L445-I449 PolarHBondContact O-N 2.86Å; I449-A451 PolarHBondContact O-N 3.18Å; I449-Q452 PolarHBondContact O-N 3.43Å; I449-S453 PolarHBondContact O-N 2.84Å; I449-S453 PolarHBondContact O-OG 2.73Å
450S81.4Confident79.8Confident27 Ų2767.9 Ų67.919%0.18937%0.372CS..Hα-helixtrans-67.2-35.3-179.4-53.80000112.8L445 D446 Q452 S453 L454L445-S450 PolarHBondContact O-N 3.24Å; L445-S450 PolarHBondContact O-OG 3.37Å; D446-S450 WeakPolarHBondContact O-CB 3.29Å; S450-Q452 VanDerWaalsContact C-N 3.35Å; S450-S453 WeakPolarHBondContact O-CB 3.42Å; S450-S453 PolarHBondContact O-N 3.49Å; S450-S453 VanDerWaalsContact O-N 3.14Å; S450-L454 WeakPolarHBondContact O-CG 3.41Å; S450-L454 PolarHBondContact O-N 3.2Å
451A72.3Confident78.7Confident44 Ų4469.2 Ų69.236%0.36437%0.371SS..Hα-helixtrans-62.5-42.9174.700000111.4T447 I449 S453 L454 D455T447-A451 VanDerWaalsContact O-CB 3.25Å; T447-A451 WeakPolarHBondContact O-CB 3.29Å; I449-A451 PolarHBondContact O-N 3.18Å; A451-S453 PolarHBondContact O-N 3.35Å; A451-L454 PolarHBondContact O-N 3.28Å; A451-L454 VanDerWaalsContact O-N 3.1Å; A451-D455 PolarHBondContact O-N 3.22Å
452Q63Low77.4Confident66 Ų6673.7 Ų73.731%0.30840%0.395SS..Hα-helixtrans-67.9-13.7175.4-71173.1-11.800114Q349 V448 I449 S450Q349-Q452 PolarHBondContact NE2-O 3.21Å; Q349-Q452 VanDerWaalsContact NE2-O 3.09Å; V448-Q452 VanDerWaalsContact O-CG 3.25Å; V448-Q452 WeakPolarHBondContact O-CG 3.31Å; V448-Q452 PolarHBondContact O-N 3.33Å; I449-Q452 PolarHBondContact O-N 3.43Å; S450-Q452 VanDerWaalsContact C-N 3.35Å
453S59.1Low76Confident56 Ų5674.3 Ų74.339%0.39240%0.403SS..Hα-helixtrans-91.3-13.8174.7-54.90000112.8I449 S450 A451I449-S453 PolarHBondContact O-N 2.84Å; I449-S453 PolarHBondContact O-OG 2.73Å; S450-S453 WeakPolarHBondContact O-CB 3.42Å; S450-S453 PolarHBondContact O-N 3.49Å; S450-S453 VanDerWaalsContact O-N 3.14Å; A451-S453 PolarHBondContact O-N 3.35Å
454L53.1Low74.4Confident145 Ų14569 Ų6976%0.75939%0.386SS*.Hα-helixtrans-98.6-16.3-177.9-74.3162.8000113.5S450 A451 I456S450-L454 WeakPolarHBondContact O-CG 3.41Å; S450-L454 PolarHBondContact O-N 3.2Å; A451-L454 PolarHBondContact O-N 3.28Å; A451-L454 VanDerWaalsContact O-N 3.1Å; L454-I456 PolarHBondContact O-N 3.36Å
455D42.6Very low72.5Confident149 Ų14972.3 Ų72.380%0.79741%0.409SS*.  trans-84.518177.4-75.7-27.5000113.4A451A451-D455 PolarHBondContact O-N 3.22Å
456I40.3Very low70.4Confident174 Ų17478.9 Ų78.989%0.89245%0.446SS*.  trans-116.20177.4-58.6177.6000110.4L454L454-I456 PolarHBondContact O-N 3.36Å

Retrieved 456 of 456 residues in 1132.8 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).