A0A3Q0KN47_SCHMA Loading...

Putative g-protein coupled receptor

AlphaFold DB , UniProt , Accession A0A3Q0KN47, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 510 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
1M48.6Very low70Confident199 Ų19993.5 Ų93.598%0.9852%0.52SS*.  0-65.10-135.6155.9-174.400111.5L3 M4 T5M1-L3 PolarHBondContact O-N 3.22Å; M1-L3 VanDerWaalsContact O-N 3.12Å; M1-M4 WeakPolarHBondContact O-CA 3.43Å; M1-M4 WeakPolarHBondContact O-CB 3.38Å; M1-M4 PolarHBondContact O-N 3.28Å; M1-T5 PolarHBondContact O-N 3.38Å; M1-T5 VanDerWaalsContact O-N 3.17Å
2S52.4Low71.9Confident95 Ų9587.4 Ų87.466%0.66449%0.485SS*.Hα-helixtrans-43.5-45-17750.80000117.1M4 T5 A6S2-M4 VanDerWaalsContact C-N 3.32Å; S2-M4 PolarHBondContact O-N 2.91Å; S2-T5 WeakPolarHBondContact CA-OG1 3.46Å; S2-T5 PolarHBondContact O-N 2.97Å; S2-T5 PolarHBondContact O-OG1 3.45Å; S2-A6 WeakPolarHBondContact O-CB 3.44Å; S2-A6 PolarHBondContact O-N 3.29Å
3L45.6Very low73.7Confident128 Ų12886.5 Ų86.567%0.6749%0.486SS*.Hα-helixtrans-66.7-33178.9-167.571.3000112.7M1 N7M1-L3 PolarHBondContact O-N 3.22Å; M1-L3 VanDerWaalsContact O-N 3.12Å; L3-N7 WeakPolarHBondContact O-CB 3.39Å; L3-N7 PolarHBondContact O-N 2.94Å; L3-N7 VanDerWaalsContact O-N 3.07Å; L3-N7 PolarHBondContact O-ND2 2.95Å
4M58.4Low75.2Confident152 Ų15285.6 Ų85.675%0.74948%0.484SS*.Hα-helixtrans-73.3-41176.7-69.2167.1164.500111.1M1 S2 N7 L8M1-M4 WeakPolarHBondContact O-CA 3.43Å; M1-M4 WeakPolarHBondContact O-CB 3.38Å; M1-M4 PolarHBondContact O-N 3.28Å; S2-M4 VanDerWaalsContact C-N 3.32Å; S2-M4 PolarHBondContact O-N 2.91Å; M4-N7 PolarHBondContact O-N 3.16Å; M4-L8 WeakPolarHBondContact O-CB 3.32Å; M4-L8 PolarHBondContact O-N 2.83Å; M4-L8 VanDerWaalsContact O-N 3.07Å
5T65.6Low76.6Confident82 Ų8279.9 Ų79.950%0.50345%0.451SS..Hα-helixtrans-67.8-40.9176.854.50000111.7M1 S2 N7 L8 S9M1-T5 PolarHBondContact O-N 3.38Å; M1-T5 VanDerWaalsContact O-N 3.17Å; S2-T5 WeakPolarHBondContact CA-OG1 3.46Å; S2-T5 PolarHBondContact O-N 2.97Å; S2-T5 PolarHBondContact O-OG1 3.45Å; T5-N7 PolarHBondContact O-N 3.43Å; T5-L8 WeakPolarHBondContact O-CA 3.37Å; T5-L8 WeakPolarHBondContact O-CB 3.47Å; T5-L8 PolarHBondContact O-N 2.83Å; T5-S9 PolarHBondContact O-N 2.84Å; T5-S9 PolarHBondContact O-OG 3.19Å
6A65.8Low77.8Confident42 Ų4277.3 Ų77.335%0.34744%0.436SS..Hα-helixtrans-63.7-38173.600000112.9S2 L8 S9 N10S2-A6 WeakPolarHBondContact O-CB 3.44Å; S2-A6 PolarHBondContact O-N 3.29Å; A6-L8 PolarHBondContact O-N 3.32Å; A6-S9 PolarHBondContact O-OG 3.15Å; A6-N10 VanDerWaalsContact O-CG 3.3Å; A6-N10 PolarHBondContact O-N 3.44Å; A6-N10 PolarHBondContact O-ND2 3.17Å
7N79.9Confident79Confident91 Ų9179.2 Ų79.249%0.48744%0.443SS..Hα-helixtrans-67.6-22172.4-76.8-18.2000112.9L3 M4 T5 Q11L3-N7 WeakPolarHBondContact O-CB 3.39Å; L3-N7 PolarHBondContact O-N 2.94Å; L3-N7 VanDerWaalsContact O-N 3.07Å; L3-N7 PolarHBondContact O-ND2 2.95Å; M4-N7 PolarHBondContact O-N 3.16Å; T5-N7 PolarHBondContact O-N 3.43Å; N7-Q11 WeakPolarHBondContact O-CG 3.27Å; N7-Q11 PolarHBondContact O-NE2 3.31Å
8L84.1Confident80Confident55 Ų5576.9 Ų76.929%0.28843%0.429SS..Hα-helixtrans-85.7-46179.1-155.772.4000111.6M4 T5 A6 N10 Q11 L469 L471M4-L8 WeakPolarHBondContact O-CB 3.32Å; M4-L8 PolarHBondContact O-N 2.83Å; M4-L8 VanDerWaalsContact O-N 3.07Å; T5-L8 WeakPolarHBondContact O-CA 3.37Å; T5-L8 WeakPolarHBondContact O-CB 3.47Å; T5-L8 PolarHBondContact O-N 2.83Å; A6-L8 PolarHBondContact O-N 3.32Å; L8-N10 VanDerWaalsContact C-N 3.3Å; L8-N10 PolarHBondContact O-N 3.38Å; L8-Q11 WeakPolarHBondContact O-CB 3.49Å; L8-Q11 PolarHBondContact O-N 3.37Å; L8-L469 HydrophobicContact CD1-CD2 3.96Å; L8-L469 HydrophobicContact CD1-CG 4.11Å; L8-L469 HydrophobicContact CD2-CD2 4.26Å; L8-L471 HydrophobicContact CD1-CD1 4.2Å; L8-L471 HydrophobicContact CD1-CD2 3.81Å; L8-L471 HydrophobicContact CD1-CG 3.67Å; L8-L471 HydrophobicContact CD2-CD2 4.32Å; L8-L471 HydrophobicContact CG-CD1 3.91Å; L8-L471 HydrophobicContact CG-CD2 4.1Å; L8-L471 HydrophobicContact CG-CG 3.94Å
9S85.7Confident80.9Confident37 Ų3772.9 Ų72.926%0.25941%0.406SS..Hα-helixtrans-62.9-36.1179.6600000112.7T5 A6 Q11 I12 E75T5-S9 PolarHBondContact O-N 2.84Å; T5-S9 PolarHBondContact O-OG 3.19Å; A6-S9 PolarHBondContact O-OG 3.15Å; S9-Q11 PolarHBondContact O-N 2.9Å; S9-I12 WeakPolarHBondContact O-CB 3.37Å; S9-I12 PolarHBondContact O-N 3.37Å; S9-E75 WeakPolarHBondContact CB-OE1 3.38Å
10N90.5Very high81.7Confident123 Ų12372.2 Ų72.266%0.65841%0.406SS*.THydrogen-bonded Turntrans-57.1-17.1170.6-77.5-33000114.5A6 L8A6-N10 VanDerWaalsContact O-CG 3.3Å; A6-N10 PolarHBondContact O-N 3.44Å; A6-N10 PolarHBondContact O-ND2 3.17Å; L8-N10 VanDerWaalsContact C-N 3.3Å; L8-N10 PolarHBondContact O-N 3.38Å
11Q93.3Very high82.5Confident25 Ų2573.2 Ų73.212%0.11741%0.41CS..THydrogen-bonded Turntrans-92.5-18.8177.5-58.3170.141.800113.2N7 L8 S9 T14 V15 Y470 L471N7-Q11 WeakPolarHBondContact O-CG 3.27Å; N7-Q11 PolarHBondContact O-NE2 3.31Å; L8-Q11 WeakPolarHBondContact O-CB 3.49Å; L8-Q11 PolarHBondContact O-N 3.37Å; S9-Q11 PolarHBondContact O-N 2.9Å; Q11-T14 WeakPolarHBondContact O-CB 3.49Å; Q11-T14 PolarHBondContact O-N 3.47Å; Q11-V15 PolarHBondContact O-N 3.43Å; Q11-V15 VanDerWaalsContact O-N 3.15Å; Q11-Y470 HydrophobicContact CG-CE2 4.26Å; Q11-L471 HydrophobicContact CB-CB 4.42Å; Q11-L471 HydrophobicContact CB-CD1 4.33Å
12I93.4Very high84.8Confident20 Ų2064.4 Ų64.410%0.10337%0.367CS..Hα-helixtrans-55-44.6-175.2-63.6167.6000112.2S9 T14 V15 L16 E75 L471S9-I12 WeakPolarHBondContact O-CB 3.37Å; S9-I12 PolarHBondContact O-N 3.37Å; I12-T14 VanDerWaalsContact C-N 3.27Å; I12-T14 PolarHBondContact O-N 2.9Å; I12-V15 WeakPolarHBondContact O-CB 3.3Å; I12-V15 PolarHBondContact O-N 2.89Å; I12-L16 HydrophobicContact CG2-CD1 3.77Å; I12-L16 HydrophobicContact CG2-CG 4Å; I12-L16 WeakPolarHBondContact O-CG 3.46Å; I12-L16 PolarHBondContact O-N 3.42Å; I12-E75 HydrophobicContact CD1-CG 3.94Å; I12-L471 HydrophobicContact CG1-CD1 4.09Å
13P94.9Very high86.9Confident76 Ų7660.7 Ų60.749%0.49434%0.34SS..Hα-helixtrans-58.3-37.3177.8-25.735.9000113.4I17P13-I17 WeakPolarHBondContact O-CD1 3.48Å; P13-I17 VanDerWaalsContact O-CG1 3.28Å; P13-I17 WeakPolarHBondContact O-CG1 3.37Å; P13-I17 PolarHBondContact O-N 2.73Å; P13-I17 VanDerWaalsContact O-N 3.11Å
14T95.4Very high89.4Confident74 Ų7460.9 Ų60.945%0.45434%0.336SS..Hα-helixtrans-67-40.3175.7-53.10000111.7Q11 I12 M18 P472Q11-T14 WeakPolarHBondContact O-CB 3.49Å; Q11-T14 PolarHBondContact O-N 3.47Å; I12-T14 VanDerWaalsContact C-N 3.27Å; I12-T14 PolarHBondContact O-N 2.9Å; T14-M18 WeakPolarHBondContact O-CB 3.38Å; T14-M18 PolarHBondContact O-N 3.4Å; T14-P472 HydrophobicContact CG2-CB 4.26Å; T14-P472 HydrophobicContact CG2-CG 3.89Å
15V95.4Very high91.2Very high0 Ų056.9 Ų56.90%032%0.317CS..Hα-helixtrans-62.2-49.1175.1178.10000110.7Q11 I12 I17 M18 L19 L471 P472 Y475Q11-V15 PolarHBondContact O-N 3.43Å; Q11-V15 VanDerWaalsContact O-N 3.15Å; I12-V15 WeakPolarHBondContact O-CB 3.3Å; I12-V15 PolarHBondContact O-N 2.89Å; V15-I17 PolarHBondContact O-N 3.13Å; V15-M18 PolarHBondContact O-N 3.02Å; V15-L19 HydrophobicContact CG1-CD1 3.69Å; V15-L19 HydrophobicContact CG1-CG 4.06Å; V15-L19 WeakPolarHBondContact O-CB 3.37Å; V15-L19 WeakPolarHBondContact O-CG 3.25Å; V15-L19 PolarHBondContact O-N 3.26Å; V15-L471 HydrophobicContact CG2-CB 3.4Å; V15-L471 HydrophobicContact CG2-CD1 4.26Å; V15-P472 HydrophobicContact CG2-CG 4.06Å; V15-Y475 HydrophobicContact CG1-CD2 3.62Å; V15-Y475 HydrophobicContact CG1-CE2 4.24Å; V15-Y475 HydrophobicContact CG1-CG 4.33Å; V15-Y475 HydrophobicContact CG2-CD2 4.29Å
16L96.8Very high92.8Very high38 Ų3853 Ų5320%0.19929%0.293CS..Hα-helixtrans-61.8-42.3-178.1-65.8175.2000112.1I12 S20 M69 Y73I12-L16 HydrophobicContact CG2-CD1 3.77Å; I12-L16 HydrophobicContact CG2-CG 4Å; I12-L16 WeakPolarHBondContact O-CG 3.46Å; I12-L16 PolarHBondContact O-N 3.42Å; L16-S20 VanDerWaalsContact O-CB 3.26Å; L16-S20 WeakPolarHBondContact O-CB 3.4Å; L16-S20 PolarHBondContact O-N 3.42Å; L16-S20 PolarHBondContact O-OG 3.38Å; L16-M69 HydrophobicContact CD2-CB 3.7Å; L16-M69 HydrophobicContact CD2-CG 3.94Å; L16-M69 WeakPolarHBondContact CD2-O 3.18Å; L16-Y73 HydrophobicContact CD1-CD2 3.93Å
17I97.2Very high94.3Very high110 Ų11053.1 Ų53.156%0.56429%0.288SS*.Hα-helixtrans-63.7-46.9175-67.7165.8000110.7P13 V15 S20 I21P13-I17 WeakPolarHBondContact O-CD1 3.48Å; P13-I17 VanDerWaalsContact O-CG1 3.28Å; P13-I17 WeakPolarHBondContact O-CG1 3.37Å; P13-I17 PolarHBondContact O-N 2.73Å; P13-I17 VanDerWaalsContact O-N 3.11Å; V15-I17 PolarHBondContact O-N 3.13Å; I17-S20 PolarHBondContact O-N 3.24Å; I17-I21 HydrophobicContact CG2-CD1 4.01Å; I17-I21 WeakPolarHBondContact O-CG1 3.33Å; I17-I21 PolarHBondContact O-N 3.47Å; I17-I21 VanDerWaalsContact O-N 3.13Å
18M97Very high95.1Very high38 Ų3854.9 Ų54.919%0.18729%0.291CS..Hα-helixtrans-60.7-49.2178.7-178.2-17472.100111.8T14 V15 S20 I21 I22 P472 L476T14-M18 WeakPolarHBondContact O-CB 3.38Å; T14-M18 PolarHBondContact O-N 3.4Å; V15-M18 PolarHBondContact O-N 3.02Å; M18-S20 PolarHBondContact O-N 3.38Å; M18-I21 PolarHBondContact O-N 2.92Å; M18-I22 HydrophobicContact CG-CD1 3.86Å; M18-I22 WeakPolarHBondContact O-CG1 3.3Å; M18-I22 PolarHBondContact O-N 2.98Å; M18-P472 WeakPolarHBondContact CE-O 3.5Å; M18-L476 HydrophobicContact SD-CD1 4.37Å
19L97.4Very high95.7Very high0 Ų052.8 Ų52.80%028%0.283CS..Hα-helixtrans-66.7-35.1-179.8-70.1-174.9000112.2V15 I22 C23 I65 T68 M69 Y478V15-L19 HydrophobicContact CG1-CD1 3.69Å; V15-L19 HydrophobicContact CG1-CG 4.06Å; V15-L19 WeakPolarHBondContact O-CB 3.37Å; V15-L19 WeakPolarHBondContact O-CG 3.25Å; V15-L19 PolarHBondContact O-N 3.26Å; L19-I22 PolarHBondContact O-N 3.35Å; L19-C23 WeakPolarHBondContact O-CB 3.39Å; L19-C23 PolarHBondContact O-N 3.39Å; L19-I65 HydrophobicContact CB-CG2 3.9Å; L19-I65 HydrophobicContact CD2-CG2 4.23Å; L19-I65 HydrophobicContact CG-CG2 4.46Å; L19-T68 HydrophobicContact CD1-CG2 3.91Å; L19-M69 HydrophobicContact CB-CG 3.64Å; L19-M69 HydrophobicContact CB-SD 3.64Å; L19-M69 HydrophobicContact CD1-CG 3.78Å; L19-M69 HydrophobicContact CG-CG 4.37Å; L19-Y478 HydrophobicContact CD2-CD2 3.68Å; L19-Y478 HydrophobicContact CD2-CG 4.06Å
20S97.4Very high96.2Very high58 Ų5851 Ų5141%0.40627%0.271SS..Hα-helixtrans-61.6-43.9173.6-64.20000112L16 I17 M18 C23 F24L16-S20 VanDerWaalsContact O-CB 3.26Å; L16-S20 WeakPolarHBondContact O-CB 3.4Å; L16-S20 PolarHBondContact O-N 3.42Å; L16-S20 PolarHBondContact O-OG 3.38Å; I17-S20 PolarHBondContact O-N 3.24Å; M18-S20 PolarHBondContact O-N 3.38Å; S20-C23 PolarHBondContact O-N 3.42Å; S20-F24 WeakPolarHBondContact O-CB 3.39Å; S20-F24 PolarHBondContact O-N 3.46Å
21I97.3Very high96.6Very high95 Ų9548.5 Ų48.549%0.48726%0.256SS..Hα-helixtrans-66.1-45177.6-66.6164.9000110.9I17 M18 F24 I25I17-I21 HydrophobicContact CG2-CD1 4.01Å; I17-I21 WeakPolarHBondContact O-CG1 3.33Å; I17-I21 PolarHBondContact O-N 3.47Å; I17-I21 VanDerWaalsContact O-N 3.13Å; M18-I21 PolarHBondContact O-N 2.92Å; I21-F24 PolarHBondContact O-N 2.86Å; I21-I25 HydrophobicContact CG2-CD1 3.78Å; I21-I25 VanDerWaalsContact O-CG1 3.31Å; I21-I25 WeakPolarHBondContact O-CG1 3.36Å; I21-I25 PolarHBondContact O-N 3.02Å; I21-I25 VanDerWaalsContact O-N 3.07Å
22I97.1Very high96.7Very high14 Ų1450.6 Ų50.67%0.07227%0.268CS..Hα-helixtrans-61.1-47.4176.5-69.8169.3000110.6M18 L19 I25 G26 I65 Y478 I479 A482M18-I22 HydrophobicContact CG-CD1 3.86Å; M18-I22 WeakPolarHBondContact O-CG1 3.3Å; M18-I22 PolarHBondContact O-N 2.98Å; L19-I22 PolarHBondContact O-N 3.35Å; I22-I25 PolarHBondContact O-N 3.02Å; I22-G26 PolarHBondContact O-N 3.17Å; I22-I65 HydrophobicContact CG2-CD1 3.84Å; I22-Y478 WeakPolarHBondContact CG2-O 3.34Å; I22-I479 HydrophobicContact CD1-CB 4.24Å; I22-A482 HydrophobicContact CG2-CB 3.8Å; I22-A482 VanDerWaalsContact O-CB 3.27Å; I22-A482 WeakPolarHBondContact O-CB 3.38Å
23C97.5Very high96.8Very high16 Ų1649.6 Ų49.611%0.10826%0.263CS..Hα-helixtrans-55.9-51.9177.4179.10000111.6L19 S20 I25 G26 I27 C61 I65L19-C23 WeakPolarHBondContact O-CB 3.39Å; L19-C23 PolarHBondContact O-N 3.39Å; S20-C23 PolarHBondContact O-N 3.42Å; C23-I25 PolarHBondContact O-N 2.93Å; C23-G26 PolarHBondContact O-N 3.07Å; C23-I27 WeakPolarHBondContact O-CG1 3.49Å; C23-I27 PolarHBondContact O-N 2.91Å; C23-C61 PolarHBondContact SG-O 2.91Å; C23-I65 HydrophobicContact CB-CG2 4Å
24F97Very high96.8Very high132 Ų13247.7 Ų47.758%0.57925%0.248SC*.Hα-helixtrans-58.9-50.5179.5-174.8-87.7000112.1S20 I21 G26 I27 F28S20-F24 WeakPolarHBondContact O-CB 3.39Å; S20-F24 PolarHBondContact O-N 3.46Å; I21-F24 PolarHBondContact O-N 2.86Å; F24-G26 VanDerWaalsContact C-N 3.32Å; F24-G26 PolarHBondContact O-N 3.22Å; F24-I27 PolarHBondContact O-N 2.96Å; F24-F28 HydrophobicContact CD1-CD2 4.23Å; F24-F28 HydrophobicContact CD2-CD2 4.15Å; F24-F28 AromaticContact CD2-CE2 3.83Å; F24-F28 HydrophobicContact CD2-CE2 3.83Å; F24-F28 HydrophobicContact CE1-CD2 4.02Å; F24-F28 HydrophobicContact CE1-CE2 4.28Å; F24-F28 AromaticContact CE2-CD2 3.96Å; F24-F28 HydrophobicContact CE2-CD2 3.96Å; F24-F28 AromaticContact CE2-CE2 3.42Å; F24-F28 HydrophobicContact CE2-CE2 3.42Å; F24-F28 VanDerWaalsContact CE2-CE2 3.42Å; F24-F28 HydrophobicContact CE2-CZ 4.33Å; F24-F28 HydrophobicContact CG-CD2 4.28Å; F24-F28 HydrophobicContact CG-CE2 4.42Å; F24-F28 AromaticContact CZ-CD2 3.88Å; F24-F28 HydrophobicContact CZ-CD2 3.88Å; F24-F28 AromaticContact CZ-CE2 3.67Å; F24-F28 HydrophobicContact CZ-CE2 3.67Å; F24-F28 HydrophobicContact CZ-CZ 4.49Å; F24-F28 WeakPolarHBondContact O-CD2 3.44Å; F24-F28 PolarHBondContact O-N 3.12Å
25I97.2Very high96.8Very high68 Ų6847.9 Ų47.935%0.34925%0.246SC..Hα-helixtrans-61.5-41.8179.7-66.9170.3000110.9I21 I22 C23 G29 A482 I486I21-I25 HydrophobicContact CG2-CD1 3.78Å; I21-I25 VanDerWaalsContact O-CG1 3.31Å; I21-I25 WeakPolarHBondContact O-CG1 3.36Å; I21-I25 PolarHBondContact O-N 3.02Å; I21-I25 VanDerWaalsContact O-N 3.07Å; I22-I25 PolarHBondContact O-N 3.02Å; C23-I25 PolarHBondContact O-N 2.93Å; I25-G29 WeakPolarHBondContact O-CA 3.26Å; I25-G29 PolarHBondContact O-N 2.94Å; I25-A482 HydrophobicContact CB-CB 4.31Å; I25-A482 HydrophobicContact CG2-CB 4.17Å; I25-I486 HydrophobicContact CG2-CD1 4.23Å
26G97.7Very high96.6Very high0 Ų048.1 Ų48.10%025%0.247CC..Hα-helixtrans-66.5-45.9179.200000113.6I22 C23 F24 N30I22-G26 PolarHBondContact O-N 3.17Å; C23-G26 PolarHBondContact O-N 3.07Å; F24-G26 VanDerWaalsContact C-N 3.32Å; F24-G26 PolarHBondContact O-N 3.22Å; G26-N30 WeakPolarHBondContact O-CB 3.37Å; G26-N30 VanDerWaalsContact O-CG 3.27Å; G26-N30 PolarHBondContact O-N 3.04Å; G26-N30 PolarHBondContact O-ND2 3.13Å
27I98.1Very high96.4Very high45 Ų4546.7 Ų46.723%0.23124%0.239CC..Hα-helixtrans-58.6-58.9179.2-70.1172.2000110.5C23 F24 G29 I31 L58 C61 V62C23-I27 WeakPolarHBondContact O-CG1 3.49Å; C23-I27 PolarHBondContact O-N 2.91Å; F24-I27 PolarHBondContact O-N 2.96Å; I27-G29 PolarHBondContact O-N 3.4Å; I27-I31 HydrophobicContact CG2-CD1 3.81Å; I27-I31 WeakPolarHBondContact O-CB 3.07Å; I27-I31 WeakPolarHBondContact O-CD1 3.46Å; I27-I31 WeakPolarHBondContact O-CG1 3.41Å; I27-I31 PolarHBondContact O-N 2.59Å; I27-I31 VanDerWaalsContact O-N 3.11Å; I27-L58 HydrophobicContact CB-CD1 4.33Å; I27-L58 HydrophobicContact CG1-CD1 4.27Å; I27-L58 HydrophobicContact CG2-CD1 4.26Å; I27-C61 HydrophobicContact CG1-CB 3.83Å; I27-V62 HydrophobicContact CD1-CG2 4.08Å; I27-V62 HydrophobicContact CG1-CG2 4.03Å
28F96.7Very high96.1Very high128 Ų12844.8 Ų44.856%0.56124%0.236SC*.Hα-helixtrans-65.6-40.4-176.7-76-80.1000112.4F24 L32F24-F28 HydrophobicContact CD1-CD2 4.23Å; F24-F28 HydrophobicContact CD2-CD2 4.15Å; F24-F28 AromaticContact CD2-CE2 3.83Å; F24-F28 HydrophobicContact CD2-CE2 3.83Å; F24-F28 HydrophobicContact CE1-CD2 4.02Å; F24-F28 HydrophobicContact CE1-CE2 4.28Å; F24-F28 AromaticContact CE2-CD2 3.96Å; F24-F28 HydrophobicContact CE2-CD2 3.96Å; F24-F28 AromaticContact CE2-CE2 3.42Å; F24-F28 HydrophobicContact CE2-CE2 3.42Å; F24-F28 VanDerWaalsContact CE2-CE2 3.42Å; F24-F28 HydrophobicContact CE2-CZ 4.33Å; F24-F28 HydrophobicContact CG-CD2 4.28Å; F24-F28 HydrophobicContact CG-CE2 4.42Å; F24-F28 AromaticContact CZ-CD2 3.88Å; F24-F28 HydrophobicContact CZ-CD2 3.88Å; F24-F28 AromaticContact CZ-CE2 3.67Å; F24-F28 HydrophobicContact CZ-CE2 3.67Å; F24-F28 HydrophobicContact CZ-CZ 4.49Å; F24-F28 WeakPolarHBondContact O-CD2 3.44Å; F24-F28 PolarHBondContact O-N 3.12Å; F28-L32 PolarHBondContact O-N 3.31Å
29G96.6Very high95.7Very high11 Ų1148.7 Ų48.711%0.11326%0.257CS..Hα-helixtrans-68.3-43.4-179.200000113.2I25 I27 L32 V33 P485I25-G29 WeakPolarHBondContact O-CA 3.26Å; I25-G29 PolarHBondContact O-N 2.94Å; I27-G29 PolarHBondContact O-N 3.4Å; G29-L32 WeakPolarHBondContact O-CB 3.43Å; G29-L32 PolarHBondContact O-N 2.92Å; G29-V33 WeakPolarHBondContact O-CG2 3.35Å; G29-V33 PolarHBondContact O-N 3.48Å; G29-P485 VanDerWaalsContact CA-CG 3.46Å; G29-P485 WeakPolarHBondContact O-CG 3.37Å
30N97.5Very high95.1Very high0 Ų051.4 Ų51.40%027%0.268CS..Hα-helixtrans-74.5-34.1-179-67.3-38.4000112.3G26 L32 V33 I34 A54 D57 L58 N481 P485G26-N30 WeakPolarHBondContact O-CB 3.37Å; G26-N30 VanDerWaalsContact O-CG 3.27Å; G26-N30 PolarHBondContact O-N 3.04Å; G26-N30 PolarHBondContact O-ND2 3.13Å; N30-L32 VanDerWaalsContact C-N 3.28Å; N30-L32 PolarHBondContact O-N 2.97Å; N30-V33 PolarHBondContact O-N 3.34Å; N30-I34 WeakPolarHBondContact O-CB 3.27Å; N30-I34 VanDerWaalsContact O-CG1 3.28Å; N30-I34 WeakPolarHBondContact O-CG1 3.26Å; N30-I34 PolarHBondContact O-N 3.17Å; N30-A54 HydrophobicContact CB-CB 4.43Å; N30-D57 WeakPolarHBondContact ND2-CB 3.44Å; N30-L58 HydrophobicContact CB-CB 3.96Å; N30-N481 PolarHBondContact ND2-O 3.04Å; N30-P485 WeakPolarHBondContact OD1-CD 3.26Å; N30-P485 WeakPolarHBondContact OD1-CG 3.44Å
31I97.3Very high94Very high70 Ų7057.9 Ų57.936%0.35929%0.292SS..Hα-helixtrans-56.9-44.4168.4-71168.4000110.4I27 V33 I34 I35 L58I27-I31 HydrophobicContact CG2-CD1 3.81Å; I27-I31 WeakPolarHBondContact O-CB 3.07Å; I27-I31 WeakPolarHBondContact O-CD1 3.46Å; I27-I31 WeakPolarHBondContact O-CG1 3.41Å; I27-I31 PolarHBondContact O-N 2.59Å; I27-I31 VanDerWaalsContact O-N 3.11Å; I31-V33 PolarHBondContact O-N 3.38Å; I31-I34 PolarHBondContact O-N 2.85Å; I31-I35 HydrophobicContact CG2-CD1 3.81Å; I31-I35 VanDerWaalsContact O-CG1 3.3Å; I31-I35 WeakPolarHBondContact O-CG1 3.49Å; I31-I35 PolarHBondContact O-N 3Å; I31-L58 HydrophobicContact CD1-CD1 4.24Å; I31-L58 HydrophobicContact CG1-CD1 3.94Å; I31-L58 HydrophobicContact CG1-CD2 3.77Å
32L95Very high93Very high69 Ų6955.7 Ų55.736%0.36128%0.282SS..Hα-helixtrans-62.4-41.3176.2-176.664000112.4F28 G29 N30 I35 V36 I499F28-L32 PolarHBondContact O-N 3.31Å; G29-L32 WeakPolarHBondContact O-CB 3.43Å; G29-L32 PolarHBondContact O-N 2.92Å; N30-L32 VanDerWaalsContact C-N 3.28Å; N30-L32 PolarHBondContact O-N 2.97Å; L32-I35 PolarHBondContact O-N 2.77Å; L32-V36 HydrophobicContact CD1-CG2 4.34Å; L32-V36 WeakPolarHBondContact O-CB 3.36Å; L32-V36 VanDerWaalsContact O-CG2 3.24Å; L32-V36 WeakPolarHBondContact O-CG2 3.44Å; L32-V36 PolarHBondContact O-N 2.66Å; L32-I499 HydrophobicContact CD1-CG1 4.28Å; L32-I499 HydrophobicContact CD2-CD1 3.82Å; L32-I499 HydrophobicContact CD2-CG1 4.32Å; L32-I499 HydrophobicContact CG-CD1 4.23Å; L32-I499 HydrophobicContact CG-CG1 4.35Å
33V95.4Very high91.7Very high0 Ų065.1 Ų65.10%032%0.316CS..Hα-helixtrans-63.2-45.9174.8175.70000111.1G29 N30 I31 I35 V36 Y37 I50 A54 P485 Y488 F495G29-V33 WeakPolarHBondContact O-CG2 3.35Å; G29-V33 PolarHBondContact O-N 3.48Å; N30-V33 PolarHBondContact O-N 3.34Å; I31-V33 PolarHBondContact O-N 3.38Å; V33-I35 PolarHBondContact O-N 3.46Å; V33-V36 PolarHBondContact O-N 2.95Å; V33-Y37 HydrophobicContact CG1-CD2 3.76Å; V33-Y37 HydrophobicContact CG1-CE2 4.02Å; V33-Y37 WeakPolarHBondContact O-CD2 3.43Å; V33-Y37 PolarHBondContact O-N 2.88Å; V33-I50 HydrophobicContact CG1-CG2 3.89Å; V33-A54 HydrophobicContact CB-CB 3.96Å; V33-A54 HydrophobicContact CG1-CB 3.6Å; V33-P485 HydrophobicContact CG2-CB 4.29Å; V33-P485 HydrophobicContact CG2-CG 4.07Å; V33-Y488 HydrophobicContact CG1-CD2 4.25Å; V33-Y488 HydrophobicContact CG1-CE2 3.87Å; V33-Y488 HydrophobicContact CG2-CD2 3.58Å; V33-Y488 HydrophobicContact CG2-CE2 3.87Å; V33-F495 HydrophobicContact CG2-CE2 3.96Å; V33-F495 HydrophobicContact CG2-CZ 3.74Å
34I96.3Very high91.2Very high35 Ų3567.7 Ų67.718%0.17933%0.329CS..Hα-helixtrans-58.1-47.7177.5-70.7163.3000110.5N30 I31 S38 L51 A54 I55 L58N30-I34 WeakPolarHBondContact O-CB 3.27Å; N30-I34 VanDerWaalsContact O-CG1 3.28Å; N30-I34 WeakPolarHBondContact O-CG1 3.26Å; N30-I34 PolarHBondContact O-N 3.17Å; I31-I34 PolarHBondContact O-N 2.85Å; I34-S38 WeakPolarHBondContact O-CB 3.19Å; I34-S38 PolarHBondContact O-N 3.45Å; I34-S38 PolarHBondContact O-OG 3.38Å; I34-L51 HydrophobicContact CB-CD1 4.26Å; I34-L51 HydrophobicContact CG1-CD1 4.16Å; I34-L51 HydrophobicContact CG2-CD1 4.06Å; I34-A54 HydrophobicContact CD1-CB 4.48Å; I34-A54 HydrophobicContact CG1-CB 3.86Å; I34-I55 HydrophobicContact CD1-CG1 3.82Å; I34-I55 HydrophobicContact CG1-CG1 4.04Å; I34-L58 HydrophobicContact CD1-CB 4.36Å; I34-L58 HydrophobicContact CD1-CD2 3.62Å
35I94.1Very high90.7Very high79 Ų7962.3 Ų62.341%0.40531%0.306SS..Hα-helixtrans-59.8-52.5178-67.8164.8000110.8I31 L32 V33 Y37 S38 L39 L502I31-I35 HydrophobicContact CG2-CD1 3.81Å; I31-I35 VanDerWaalsContact O-CG1 3.3Å; I31-I35 WeakPolarHBondContact O-CG1 3.49Å; I31-I35 PolarHBondContact O-N 3Å; L32-I35 PolarHBondContact O-N 2.77Å; V33-I35 PolarHBondContact O-N 3.46Å; I35-Y37 PolarHBondContact O-N 3.04Å; I35-S38 PolarHBondContact O-N 3.14Å; I35-L39 HydrophobicContact CG2-CD1 3.85Å; I35-L39 WeakPolarHBondContact O-CG 3.05Å; I35-L39 PolarHBondContact O-N 2.93Å; I35-L39 VanDerWaalsContact O-N 3.11Å; I35-L502 HydrophobicContact CG2-CD1 4.03Å
36V92.8Very high90.3Very high5 Ų559.3 Ų59.33%0.0329%0.292CS..Hα-helixtrans-61.1-45.8-176.2171.30000112.1L32 V33 F495 D498 I499 L502L32-V36 HydrophobicContact CD1-CG2 4.34Å; L32-V36 WeakPolarHBondContact O-CB 3.36Å; L32-V36 VanDerWaalsContact O-CG2 3.24Å; L32-V36 WeakPolarHBondContact O-CG2 3.44Å; L32-V36 PolarHBondContact O-N 2.66Å; V33-V36 PolarHBondContact O-N 2.95Å; V36-F495 HydrophobicContact CB-CD2 4.21Å; V36-F495 HydrophobicContact CB-CE2 4.01Å; V36-F495 HydrophobicContact CG1-CD2 3.66Å; V36-F495 HydrophobicContact CG1-CE2 3.99Å; V36-F495 HydrophobicContact CG2-CD2 4.48Å; V36-F495 HydrophobicContact CG2-CE2 4.13Å; V36-D498 HydrophobicContact CG1-CB 3.7Å; V36-I499 HydrophobicContact CG2-CG1 3.68Å; V36-L502 HydrophobicContact CG2-CD1 3.75Å
37Y91.7Very high90Very high8 Ų860 Ų603%0.03130%0.296CS..Hα-helixtrans-83.3-18.5-177.8-73.3-94.3000113.7V33 I35 K40 T47 I50 N492 F495V33-Y37 HydrophobicContact CG1-CD2 3.76Å; V33-Y37 HydrophobicContact CG1-CE2 4.02Å; V33-Y37 WeakPolarHBondContact O-CD2 3.43Å; V33-Y37 PolarHBondContact O-N 2.88Å; I35-Y37 PolarHBondContact O-N 3.04Å; Y37-K40 HydrophobicContact CD1-CD 4.19Å; Y37-T47 HydrophobicContact CD1-CG2 4.26Å; Y37-I50 HydrophobicContact CD1-CB 4.35Å; Y37-I50 HydrophobicContact CD1-CD1 4.44Å; Y37-I50 HydrophobicContact CD1-CG2 3.87Å; Y37-I50 HydrophobicContact CD2-CG2 3.67Å; Y37-I50 HydrophobicContact CE1-CB 4.34Å; Y37-I50 HydrophobicContact CE1-CD1 3.69Å; Y37-I50 HydrophobicContact CE1-CG2 3.85Å; Y37-I50 HydrophobicContact CE2-CG2 3.62Å; Y37-I50 HydrophobicContact CG-CG2 3.78Å; Y37-N492 PolarHBondContact OH-ND2 3.08Å; Y37-F495 HydrophobicContact CD2-CD2 4.32Å; Y37-F495 HydrophobicContact CD2-CE2 4.38Å; Y37-F495 AromaticContact CE2-CD2 3.52Å; Y37-F495 HydrophobicContact CE2-CD2 3.52Å; Y37-F495 AromaticContact CE2-CE2 3.83Å; Y37-F495 HydrophobicContact CE2-CE2 3.83Å
38S91.6Very high89.7Confident70 Ų7058.9 Ų58.949%0.4929%0.291SS..Hα-helixtrans-77.4-35.1172.1-59.70000112.7I34 I35 K40 L51I34-S38 WeakPolarHBondContact O-CB 3.19Å; I34-S38 PolarHBondContact O-N 3.45Å; I34-S38 PolarHBondContact O-OG 3.38Å; I35-S38 PolarHBondContact O-N 3.14Å; S38-K40 PolarHBondContact O-N 3.13Å; S38-L51 WeakPolarHBondContact OG-CD1 3.43Å
39L89Confident89.6Confident120 Ų12052.9 Ų52.963%0.62827%0.265SS*.SBendtrans-74.7-10.1174.1-66.5172.6000112.8I35 Q41 L502I35-L39 HydrophobicContact CG2-CD1 3.85Å; I35-L39 WeakPolarHBondContact O-CG 3.05Å; I35-L39 PolarHBondContact O-N 2.93Å; I35-L39 VanDerWaalsContact O-N 3.11Å; L39-Q41 PolarHBondContact O-N 2.86Å; L39-L502 HydrophobicContact CD1-CD1 4.27Å; L39-L502 HydrophobicContact CD1-CD2 3.51Å
40K83.9Confident89.5Confident57 Ų5752.6 Ų52.625%0.24826%0.26CS..  trans-82.9111.7-177.8-159.7165.7165.7-90.50110.6Y37 S38 D42 T47Y37-K40 HydrophobicContact CD1-CD 4.19Å; S38-K40 PolarHBondContact O-N 3.13Å; K40-D42 WeakPolarHBondContact CG-OD1 2.89Å; K40-D42 IonicContact NZ-OD1 3.26Å; K40-D42 PolarHBondContact NZ-OD1 3.28Å; K40-D42 IonicContact NZ-OD2 2.78Å; K40-D42 PolarHBondContact NZ-OD2 3.15Å; K40-D42 PolarHBondContact O-N 3.12Å; K40-T47 PolarHBondContact NZ-OG1 3.35Å
41Q73.4Confident89.3Confident194 Ų19454.2 Ų54.291%0.90727%0.269SS*.  trans-69.96.3-172.7-150.1179.519.500114.9L39L39-Q41 PolarHBondContact O-N 2.86Å
42D76.8Confident89.3Confident49 Ų4952.2 Ų52.226%0.26226%0.26SS..  trans-88.8120.6-169.379.9-30.8000113.7K40 L44 T47K40-D42 WeakPolarHBondContact CG-OD1 2.89Å; K40-D42 IonicContact NZ-OD1 3.26Å; K40-D42 PolarHBondContact NZ-OD1 3.28Å; K40-D42 IonicContact NZ-OD2 2.78Å; K40-D42 PolarHBondContact NZ-OD2 3.15Å; K40-D42 PolarHBondContact O-N 3.12Å; D42-L44 HydrophobicContact CB-CD1 3.82Å; D42-L44 PolarHBondContact O-N 2.92Å; D42-T47 PolarHBondContact OD1-OG1 3.49Å; D42-T47 PolarHBondContact OD2-OG1 2.86Å
43R70.7Confident89.3Confident211 Ų21149 Ų4980%0.79624%0.243SC*.  trans-78.930.1-171.4-62-175.9175.2-171.4-1.6114.2
44L85.5Confident89.4Confident71 Ų7149 Ų4937%0.37224%0.243SC..  trans-82.3148.3-176.1-79.179.7000112.3D42 G46 T47 L48D42-L44 HydrophobicContact CB-CD1 3.82Å; D42-L44 PolarHBondContact O-N 2.92Å; L44-G46 VanDerWaalsContact C-N 3.3Å; L44-G46 PolarHBondContact O-N 3.27Å; L44-T47 PolarHBondContact O-N 2.9Å; L44-L48 PolarHBondContact O-N 2.91Å
45T88.4Confident89.4Confident18 Ų1850.9 Ų50.911%0.1125%0.253CS..Hα-helixtrans-58.4-40.9171.551.30000112.1T47 L48 F49 D108 A126T45-T47 VanDerWaalsContact C-N 3.31Å; T45-T47 PolarHBondContact O-N 2.79Å; T45-L48 WeakPolarHBondContact O-CB 3.34Å; T45-L48 PolarHBondContact O-N 3.22Å; T45-L48 VanDerWaalsContact O-N 3.09Å; T45-F49 VanDerWaalsContact O-CD2 3.25Å; T45-F49 WeakPolarHBondContact O-CD2 3.47Å; T45-F49 PolarHBondContact O-N 3.46Å; T45-D108 WeakPolarHBondContact CB-OD1 3.28Å; T45-D108 PolarHBondContact OG1-OD1 3.48Å; T45-A126 HydrophobicContact CG2-CB 4.4Å
46G87.8Confident89.6Confident5 Ų547.5 Ų47.55%0.05224%0.236CC..Hα-helixtrans-59.4-36.717800000113.8L44 F49 I50L44-G46 VanDerWaalsContact C-N 3.3Å; L44-G46 PolarHBondContact O-N 3.27Å; G46-F49 PolarHBondContact O-N 3.48Å; G46-I50 WeakPolarHBondContact O-CB 3.49Å; G46-I50 WeakPolarHBondContact O-CD1 3.29Å; G46-I50 VanDerWaalsContact O-CG1 3.28Å; G46-I50 WeakPolarHBondContact O-CG1 3.46Å; G46-I50 PolarHBondContact O-N 3.46Å
47T90.7Very high89.8Confident14 Ų1447.3 Ų47.39%0.08624%0.235CC..Hα-helixtrans-66.3-41.2174.5-62.80000111Y37 K40 D42 L44 T45 L51Y37-T47 HydrophobicContact CD1-CG2 4.26Å; K40-T47 PolarHBondContact NZ-OG1 3.35Å; D42-T47 PolarHBondContact OD1-OG1 3.49Å; D42-T47 PolarHBondContact OD2-OG1 2.86Å; L44-T47 PolarHBondContact O-N 2.9Å; T45-T47 VanDerWaalsContact C-N 3.31Å; T45-T47 PolarHBondContact O-N 2.79Å; T47-L51 WeakPolarHBondContact O-CB 3.44Å; T47-L51 PolarHBondContact O-N 3.1Å; T47-L51 VanDerWaalsContact O-N 3.08Å
48L93.2Very high90.1Very high22 Ų2248.5 Ų48.512%0.11524%0.241CC..Hα-helixtrans-62.2-46.7174.2174.865.7000111.9L44 T45 L51 V52 R123 A126 K127 I130L44-L48 PolarHBondContact O-N 2.91Å; T45-L48 WeakPolarHBondContact O-CB 3.34Å; T45-L48 PolarHBondContact O-N 3.22Å; T45-L48 VanDerWaalsContact O-N 3.09Å; L48-L51 PolarHBondContact O-N 3.44Å; L48-V52 HydrophobicContact CD1-CG2 4.12Å; L48-V52 WeakPolarHBondContact O-CG2 3.45Å; L48-V52 PolarHBondContact O-N 3.04Å; L48-R123 HydrophobicContact CD2-CG 4.12Å; L48-A126 HydrophobicContact CD2-CB 4.01Å; L48-K127 HydrophobicContact CD2-CG 3.9Å; L48-I130 HydrophobicContact CD2-CD1 4.38Å; L48-I130 HydrophobicContact CG-CD1 4.37Å
49F94.1Very high90.3Very high3 Ų349.2 Ų49.21%0.01324%0.24CC..Hα-helixtrans-64.5-40.6-180-81.6-65.7000113T45 G46 L51 V52 L53 L101 C104 I105 D108 L121 A126 I130T45-F49 VanDerWaalsContact O-CD2 3.25Å; T45-F49 WeakPolarHBondContact O-CD2 3.47Å; T45-F49 PolarHBondContact O-N 3.46Å; G46-F49 PolarHBondContact O-N 3.48Å; F49-L51 VanDerWaalsContact C-N 3.35Å; F49-V52 PolarHBondContact O-N 3.2Å; F49-L53 WeakPolarHBondContact O-CB 3.41Å; F49-L53 PolarHBondContact O-N 3.06Å; F49-L101 HydrophobicContact CD1-CD1 4.02Å; F49-L101 HydrophobicContact CE1-CD1 4.36Å; F49-C104 HydrophobicContact CE1-CB 4.17Å; F49-I105 HydrophobicContact CB-CD1 4.35Å; F49-I105 HydrophobicContact CB-CG1 3.87Å; F49-I105 HydrophobicContact CD1-CG1 3.74Å; F49-I105 HydrophobicContact CG-CG1 3.91Å; F49-D108 HydrophobicContact CD2-CB 3.98Å; F49-D108 HydrophobicContact CE2-CB 3.54Å; F49-D108 HydrophobicContact CZ-CB 4.26Å; F49-L121 HydrophobicContact CE2-CD2 3.87Å; F49-L121 HydrophobicContact CZ-CD2 4.06Å; F49-A126 HydrophobicContact CE2-CB 4.02Å; F49-A126 HydrophobicContact CZ-CB 4Å; F49-I130 HydrophobicContact CD1-CD1 3.98Å; F49-I130 HydrophobicContact CE1-CD1 3.76Å; F49-I130 HydrophobicContact CE1-CG1 4Å; F49-I130 HydrophobicContact CZ-CD1 4.44Å
50I93.3Very high90.7Very high4 Ų443.5 Ų43.52%0.02121%0.21CC..Hα-helixtrans-64.1-41.3175.8-72.2166.5000111.1V33 Y37 G46 A54 T441 Y488V33-I50 HydrophobicContact CG1-CG2 3.89Å; Y37-I50 HydrophobicContact CD1-CB 4.35Å; Y37-I50 HydrophobicContact CD1-CD1 4.44Å; Y37-I50 HydrophobicContact CD1-CG2 3.87Å; Y37-I50 HydrophobicContact CD2-CG2 3.67Å; Y37-I50 HydrophobicContact CE1-CB 4.34Å; Y37-I50 HydrophobicContact CE1-CD1 3.69Å; Y37-I50 HydrophobicContact CE1-CG2 3.85Å; Y37-I50 HydrophobicContact CE2-CG2 3.62Å; Y37-I50 HydrophobicContact CG-CG2 3.78Å; G46-I50 WeakPolarHBondContact O-CB 3.49Å; G46-I50 WeakPolarHBondContact O-CD1 3.29Å; G46-I50 VanDerWaalsContact O-CG1 3.28Å; G46-I50 WeakPolarHBondContact O-CG1 3.46Å; G46-I50 PolarHBondContact O-N 3.46Å; I50-A54 WeakPolarHBondContact O-CB 3.33Å; I50-A54 PolarHBondContact O-N 3.33Å; I50-T441 HydrophobicContact CD1-CG2 4.04Å; I50-Y488 HydrophobicContact CD1-CE1 4.07Å; I50-Y488 HydrophobicContact CG1-CE1 4.08Å; I50-Y488 HydrophobicContact CG2-CE1 3.96Å; I50-Y488 HydrophobicContact CG2-CE2 4.4Å; I50-Y488 WeakPolarHBondContact CG2-OH 3.46Å
51L95Very high91.4Very high35 Ų3540.8 Ų40.818%0.18320%0.198CC..Hα-helixtrans-64.9-44.4177.1-177.263.8000111.8I34 S38 T47 L48 F49 A54 I55I34-L51 HydrophobicContact CB-CD1 4.26Å; I34-L51 HydrophobicContact CG1-CD1 4.16Å; I34-L51 HydrophobicContact CG2-CD1 4.06Å; S38-L51 WeakPolarHBondContact OG-CD1 3.43Å; T47-L51 WeakPolarHBondContact O-CB 3.44Å; T47-L51 PolarHBondContact O-N 3.1Å; T47-L51 VanDerWaalsContact O-N 3.08Å; L48-L51 PolarHBondContact O-N 3.44Å; F49-L51 VanDerWaalsContact C-N 3.35Å; L51-A54 PolarHBondContact O-N 3.04Å; L51-I55 HydrophobicContact CD1-CD1 4.21Å; L51-I55 HydrophobicContact CG-CD1 3.98Å; L51-I55 VanDerWaalsContact O-CG1 3.27Å; L51-I55 WeakPolarHBondContact O-CG1 3.2Å; L51-I55 PolarHBondContact O-N 2.93Å
52V96.2Very high92.5Very high27 Ų2735.4 Ų35.416%0.16418%0.178CC..Hα-helixtrans-66.8-38.9178.4168.60000111.9L48 F49 I55 S56 F97 L101 I130L48-V52 HydrophobicContact CD1-CG2 4.12Å; L48-V52 WeakPolarHBondContact O-CG2 3.45Å; L48-V52 PolarHBondContact O-N 3.04Å; F49-V52 PolarHBondContact O-N 3.2Å; V52-I55 PolarHBondContact O-N 3.27Å; V52-S56 WeakPolarHBondContact O-CB 3.36Å; V52-S56 PolarHBondContact O-N 2.94Å; V52-F97 HydrophobicContact CG1-CZ 4.37Å; V52-L101 HydrophobicContact CG1-CD1 4.11Å; V52-L101 HydrophobicContact CG1-CD2 4.08Å; V52-I130 HydrophobicContact CB-CD1 4.47Å; V52-I130 HydrophobicContact CG1-CD1 4.38Å; V52-I130 HydrophobicContact CG1-CG2 3.87Å; V52-I130 HydrophobicContact CG2-CD1 4.16Å; V52-I130 HydrophobicContact CG2-CG2 4.48Å
53L95.4Very high93.4Very high2 Ų235.6 Ų35.61%0.0118%0.181CC..Hα-helixtrans-60-51.9173-178.560.6000110.6F49 I55 S56 D57 L101 I105F49-L53 WeakPolarHBondContact O-CB 3.41Å; F49-L53 PolarHBondContact O-N 3.06Å; L53-I55 VanDerWaalsContact C-N 3.31Å; L53-I55 PolarHBondContact O-N 3.47Å; L53-S56 WeakPolarHBondContact O-CB 3.33Å; L53-S56 PolarHBondContact O-N 2.94Å; L53-S56 VanDerWaalsContact O-N 3.09Å; L53-D57 WeakPolarHBondContact O-CB 3.2Å; L53-D57 PolarHBondContact O-N 3.14Å; L53-L101 HydrophobicContact CB-CD2 4.23Å; L53-L101 HydrophobicContact CD1-CD2 4.04Å; L53-I105 HydrophobicContact CD2-CD1 4.23Å
54A96.7Very high94.6Very high1 Ų125.8 Ų25.81%0.00814%0.144CC..Hα-helixtrans-63.1-32.7179.400000113.8N30 V33 I34 I50 L51 L58N30-A54 HydrophobicContact CB-CB 4.43Å; V33-A54 HydrophobicContact CB-CB 3.96Å; V33-A54 HydrophobicContact CG1-CB 3.6Å; I34-A54 HydrophobicContact CD1-CB 4.48Å; I34-A54 HydrophobicContact CG1-CB 3.86Å; I50-A54 WeakPolarHBondContact O-CB 3.33Å; I50-A54 PolarHBondContact O-N 3.33Å; L51-A54 PolarHBondContact O-N 3.04Å; A54-L58 WeakPolarHBondContact O-CB 3.46Å; A54-L58 PolarHBondContact O-N 2.02Å
55I97.4Very high95.1Very high74 Ų7422.4 Ų22.438%0.37913%0.127SC..Hα-helixtrans-68.1-44172.3-69.7166000110.8I34 L51 V52 L53 L58 L59I34-I55 HydrophobicContact CD1-CG1 3.82Å; I34-I55 HydrophobicContact CG1-CG1 4.04Å; L51-I55 HydrophobicContact CD1-CD1 4.21Å; L51-I55 HydrophobicContact CG-CD1 3.98Å; L51-I55 VanDerWaalsContact O-CG1 3.27Å; L51-I55 WeakPolarHBondContact O-CG1 3.2Å; L51-I55 PolarHBondContact O-N 2.93Å; V52-I55 PolarHBondContact O-N 3.27Å; L53-I55 VanDerWaalsContact C-N 3.31Å; L53-I55 PolarHBondContact O-N 3.47Å; I55-L58 PolarHBondContact O-N 3.24Å; I55-L59 HydrophobicContact CG2-CD1 4.08Å; I55-L59 WeakPolarHBondContact O-CB 3.44Å; I55-L59 VanDerWaalsContact O-CG 3.31Å; I55-L59 WeakPolarHBondContact O-CG 3.23Å; I55-L59 PolarHBondContact O-N 3.05Å
56S97Very high95.5Very high7 Ų723.3 Ų23.35%0.04913%0.133CC..Hα-helixtrans-60.6-48.1176.3-171.50000111.7V52 L53 L59 A60 F97V52-S56 WeakPolarHBondContact O-CB 3.36Å; V52-S56 PolarHBondContact O-N 2.94Å; L53-S56 WeakPolarHBondContact O-CB 3.33Å; L53-S56 PolarHBondContact O-N 2.94Å; L53-S56 VanDerWaalsContact O-N 3.09Å; S56-L59 PolarHBondContact O-N 2.92Å; S56-A60 PolarHBondContact O-N 3.46Å; S56-F97 WeakPolarHBondContact OG-CD1 3.45Å; S56-F97 WeakPolarHBondContact OG-CE1 3.19Å
57D97Very high95.9Very high2 Ų224 Ų241%0.01114%0.139CC..Hα-helixtrans-64.6-42.4-179.7-62.2-23.4000111.1N30 L53 A60 C61 N481 N484N30-D57 WeakPolarHBondContact ND2-CB 3.44Å; L53-D57 WeakPolarHBondContact O-CB 3.2Å; L53-D57 PolarHBondContact O-N 3.14Å; D57-A60 PolarHBondContact O-N 2.86Å; D57-C61 PolarHBondContact O-N 2.89Å; D57-C61 PolarHBondContact O-SG 3.36Å; D57-C61 VanDerWaalsContact O-SG 3.33Å; D57-N481 HydrophobicContact CB-CB 4.23Å; D57-N484 PolarHBondContact OD2-ND2 3.27Å
58L98.1Very high96.1Very high32 Ų3223.3 Ų23.317%0.16814%0.135CC..Hα-helixtrans-62.1-45.217517860.2000111.8I27 N30 I31 I34 A54 I55 A60 C61 V62I27-L58 HydrophobicContact CB-CD1 4.33Å; I27-L58 HydrophobicContact CG1-CD1 4.27Å; I27-L58 HydrophobicContact CG2-CD1 4.26Å; N30-L58 HydrophobicContact CB-CB 3.96Å; I31-L58 HydrophobicContact CD1-CD1 4.24Å; I31-L58 HydrophobicContact CG1-CD1 3.94Å; I31-L58 HydrophobicContact CG1-CD2 3.77Å; I34-L58 HydrophobicContact CD1-CB 4.36Å; I34-L58 HydrophobicContact CD1-CD2 3.62Å; A54-L58 WeakPolarHBondContact O-CB 3.46Å; A54-L58 PolarHBondContact O-N 2.02Å; I55-L58 PolarHBondContact O-N 3.24Å; L58-A60 VanDerWaalsContact C-N 3.34Å; L58-A60 PolarHBondContact O-N 3.39Å; L58-C61 PolarHBondContact O-N 2.95Å; L58-V62 HydrophobicContact CD1-CG2 4.07Å; L58-V62 WeakPolarHBondContact O-CG2 3.49Å; L58-V62 PolarHBondContact O-N 2.81Å
59L97.4Very high96.2Very high86 Ų8623.8 Ų23.845%0.4514%0.138SC..Hα-helixtrans-61.1-43.6176.2-74.7171.3000111I55 S56 C61 V62 T63 F94I55-L59 HydrophobicContact CG2-CD1 4.08Å; I55-L59 WeakPolarHBondContact O-CB 3.44Å; I55-L59 VanDerWaalsContact O-CG 3.31Å; I55-L59 WeakPolarHBondContact O-CG 3.23Å; I55-L59 PolarHBondContact O-N 3.05Å; S56-L59 PolarHBondContact O-N 2.92Å; L59-C61 VanDerWaalsContact C-N 3.35Å; L59-C61 PolarHBondContact O-N 3.06Å; L59-V62 PolarHBondContact O-N 3.44Å; L59-V62 VanDerWaalsContact O-N 3.16Å; L59-T63 PolarHBondContact O-N 3.31Å; L59-T63 PolarHBondContact O-OG1 2.85Å; L59-F94 HydrophobicContact CB-CE1 3.71Å; L59-F94 HydrophobicContact CB-CZ 3.8Å
60A97Very high96.2Very high0 Ų028.6 Ų28.60%016%0.162CC..Iπ-helixtrans-61.6-40.1175.700000112.5S56 D57 L58 V62 L64 I65 F94 N481S56-A60 PolarHBondContact O-N 3.46Å; D57-A60 PolarHBondContact O-N 2.86Å; L58-A60 VanDerWaalsContact C-N 3.34Å; L58-A60 PolarHBondContact O-N 3.39Å; A60-V62 VanDerWaalsContact C-N 3.33Å; A60-V62 PolarHBondContact O-N 3.34Å; A60-L64 PolarHBondContact O-N 3.12Å; A60-I65 PolarHBondContact O-N 3.41Å; A60-F94 HydrophobicContact CB-CD1 3.87Å; A60-F94 HydrophobicContact CB-CE1 4.17Å; A60-N481 HydrophobicContact CB-CB 4.44Å; A60-N481 VanDerWaalsContact CB-OD1 3.27Å; A60-N481 WeakPolarHBondContact CB-OD1 3.5Å
61C97.5Very high96.2Very high0 Ų028.9 Ų28.90%016%0.164CC..Iπ-helixtrans-69.2-27.1174.7-67.60000113.6C23 I27 D57 L58 L59 P66C23-C61 PolarHBondContact SG-O 2.91Å; I27-C61 HydrophobicContact CG1-CB 3.83Å; D57-C61 PolarHBondContact O-N 2.89Å; D57-C61 PolarHBondContact O-SG 3.36Å; D57-C61 VanDerWaalsContact O-SG 3.33Å; L58-C61 PolarHBondContact O-N 2.95Å; L59-C61 VanDerWaalsContact C-N 3.35Å; L59-C61 PolarHBondContact O-N 3.06Å; C61-P66 WeakPolarHBondContact O-CD 3.29Å
62V97.2Very high96Very high80 Ų8027.7 Ų27.749%0.48516%0.157SC..Iπ-helixtrans-89.4-28.2179.9172.90000112.9I27 L58 L59 A60 P66I27-V62 HydrophobicContact CD1-CG2 4.08Å; I27-V62 HydrophobicContact CG1-CG2 4.03Å; L58-V62 HydrophobicContact CD1-CG2 4.07Å; L58-V62 WeakPolarHBondContact O-CG2 3.49Å; L58-V62 PolarHBondContact O-N 2.81Å; L59-V62 PolarHBondContact O-N 3.44Å; L59-V62 VanDerWaalsContact O-N 3.16Å; A60-V62 VanDerWaalsContact C-N 3.33Å; A60-V62 PolarHBondContact O-N 3.34Å; V62-P66 WeakPolarHBondContact O-CG 3.28Å
63T95.7Very high95.9Very high54 Ų5434.4 Ų34.433%0.33118%0.181SC..Iπ-helixtrans-115.2-57.3-17765.80000113.4L59 G67L59-T63 PolarHBondContact O-N 3.31Å; L59-T63 PolarHBondContact O-OG1 2.85Å; T63-G67 PolarHBondContact O-N 3.16Å
64L96.3Very high95.7Very high5 Ų537.1 Ų37.13%0.02620%0.195CC..Iπ-helixtrans-73-41.1-170.2179.656000113A60 G67 T68 Y87 I90 N91 F94 Y478A60-L64 PolarHBondContact O-N 3.12Å; L64-G67 PolarHBondContact O-N 2.9Å; L64-T68 WeakPolarHBondContact O-CB 3.35Å; L64-T68 PolarHBondContact O-N 3.12Å; L64-T68 PolarHBondContact O-OG1 3.42Å; L64-Y87 HydrophobicContact CD1-CE2 4.08Å; L64-I90 HydrophobicContact CB-CG2 3.83Å; L64-I90 HydrophobicContact CD1-CG2 3.96Å; L64-I90 HydrophobicContact CG-CG2 4.31Å; L64-N91 HydrophobicContact CD1-CB 3.87Å; L64-F94 HydrophobicContact CD2-CB 3.84Å; L64-F94 HydrophobicContact CD2-CG 4.43Å; L64-Y478 WeakPolarHBondContact CD1-OH 3.38Å; L64-Y478 HydrophobicContact CD2-CE1 3.78Å; L64-Y478 HydrophobicContact CG-CE1 3.75Å; L64-Y478 WeakPolarHBondContact CG-OH 3.15Å
65I96.7Very high95.3Very high0 Ų041.7 Ų41.70%022%0.216CC..Hα-helixtrans-68.6-48.5177.5-60.6-179.7000111.2L19 I22 C23 A60 G67 T68 M69 Y478L19-I65 HydrophobicContact CB-CG2 3.9Å; L19-I65 HydrophobicContact CD2-CG2 4.23Å; L19-I65 HydrophobicContact CG-CG2 4.46Å; I22-I65 HydrophobicContact CG2-CD1 3.84Å; C23-I65 HydrophobicContact CB-CG2 4Å; A60-I65 PolarHBondContact O-N 3.41Å; I65-G67 VanDerWaalsContact C-N 3.32Å; I65-G67 PolarHBondContact O-N 3.3Å; I65-T68 PolarHBondContact O-N 3.39Å; I65-M69 HydrophobicContact CG2-CE 4.36Å; I65-M69 WeakPolarHBondContact O-CG 3.18Å; I65-M69 PolarHBondContact O-N 2.91Å; I65-Y478 HydrophobicContact CD1-CD1 3.94Å; I65-Y478 HydrophobicContact CD1-CG 4.23Å; I65-Y478 HydrophobicContact CG1-CD1 3.54Å; I65-Y478 HydrophobicContact CG1-CE1 3.96Å; I65-Y478 HydrophobicContact CG1-CG 4Å
66P96.3Very high94.9Very high36 Ų3641 Ų4123%0.23421%0.208CC..Hα-helixtrans-59.9-39172.2-2838.6000113.4C61 V62 M69 I70C61-P66 WeakPolarHBondContact O-CD 3.29Å; V62-P66 WeakPolarHBondContact O-CG 3.28Å; P66-M69 HydrophobicContact CB-CE 4.41Å; P66-M69 HydrophobicContact CG-CE 4.41Å; P66-M69 PolarHBondContact O-N 3.42Å; P66-I70 WeakPolarHBondContact O-CG1 3.46Å; P66-I70 PolarHBondContact O-N 2.84Å
67G94.9Very high94.5Very high19 Ų1944 Ų4420%0.19622%0.224CC..Hα-helixtrans-55.9-53.4171.300000111.6T63 L64 I65 M69 I70 I71T63-G67 PolarHBondContact O-N 3.16Å; L64-G67 PolarHBondContact O-N 2.9Å; I65-G67 VanDerWaalsContact C-N 3.32Å; I65-G67 PolarHBondContact O-N 3.3Å; G67-M69 VanDerWaalsContact C-N 3.32Å; G67-M69 PolarHBondContact O-N 2.86Å; G67-I70 PolarHBondContact O-N 2.97Å; G67-I70 VanDerWaalsContact O-N 3.12Å; G67-I71 WeakPolarHBondContact O-CG1 3.29Å; G67-I71 PolarHBondContact O-N 3.22Å
68T95.3Very high94.1Very high0 Ų044.1 Ų44.10%023%0.225CC..Hα-helixtrans-56.3-44.8177.1-52.30000111.7L19 L64 I65 I70 I71 E72 Y87 Y475 Y478L19-T68 HydrophobicContact CD1-CG2 3.91Å; L64-T68 WeakPolarHBondContact O-CB 3.35Å; L64-T68 PolarHBondContact O-N 3.12Å; L64-T68 PolarHBondContact O-OG1 3.42Å; I65-T68 PolarHBondContact O-N 3.39Å; T68-I70 VanDerWaalsContact C-N 3.33Å; T68-I70 PolarHBondContact O-N 3.41Å; T68-I71 PolarHBondContact O-N 3.2Å; T68-E72 HydrophobicContact CG2-CG 4.25Å; T68-E72 WeakPolarHBondContact O-CB 3.34Å; T68-E72 WeakPolarHBondContact O-CG 3.34Å; T68-E72 PolarHBondContact O-N 2.91Å; T68-Y87 PolarHBondContact OG1-OH 3.35Å; T68-Y475 HydrophobicContact CG2-CD1 3.96Å; T68-Y475 HydrophobicContact CG2-CE1 3.54Å; T68-Y478 HydrophobicContact CG2-CE2 4Å; T68-Y478 PolarHBondContact OG1-OH 3.48Å
69M95.8Very high93.7Very high33 Ų3348.3 Ų48.316%0.16325%0.247CC..Hα-helixtrans-61.6-38.8178.2-70.4-170.3-60.700112.6L16 L19 I65 P66 G67 Y73L16-M69 HydrophobicContact CD2-CB 3.7Å; L16-M69 HydrophobicContact CD2-CG 3.94Å; L16-M69 WeakPolarHBondContact CD2-O 3.18Å; L19-M69 HydrophobicContact CB-CG 3.64Å; L19-M69 HydrophobicContact CB-SD 3.64Å; L19-M69 HydrophobicContact CD1-CG 3.78Å; L19-M69 HydrophobicContact CG-CG 4.37Å; I65-M69 HydrophobicContact CG2-CE 4.36Å; I65-M69 WeakPolarHBondContact O-CG 3.18Å; I65-M69 PolarHBondContact O-N 2.91Å; P66-M69 HydrophobicContact CB-CE 4.41Å; P66-M69 HydrophobicContact CG-CE 4.41Å; P66-M69 PolarHBondContact O-N 3.42Å; G67-M69 VanDerWaalsContact C-N 3.32Å; G67-M69 PolarHBondContact O-N 2.86Å; M69-Y73 WeakPolarHBondContact O-CB 3.44Å; M69-Y73 PolarHBondContact O-N 2.81Å
70I94.7Very high93.4Very high103 Ų10345.9 Ų45.953%0.52824%0.238SC..Hα-helixtrans-68.5-48.5176.5-67.7163.4000110.8P66 G67 T68 E72 Y73 I74P66-I70 WeakPolarHBondContact O-CG1 3.46Å; P66-I70 PolarHBondContact O-N 2.84Å; G67-I70 PolarHBondContact O-N 2.97Å; G67-I70 VanDerWaalsContact O-N 3.12Å; T68-I70 VanDerWaalsContact C-N 3.33Å; T68-I70 PolarHBondContact O-N 3.41Å; I70-E72 VanDerWaalsContact C-N 3.34Å; I70-E72 PolarHBondContact O-N 2.91Å; I70-Y73 PolarHBondContact O-N 2.85Å; I70-I74 HydrophobicContact CG2-CD1 4.29Å; I70-I74 VanDerWaalsContact O-CG1 3.31Å; I70-I74 WeakPolarHBondContact O-CG1 3.46Å; I70-I74 PolarHBondContact O-N 3.48Å
71I92.5Very high93.2Very high10 Ų1049.4 Ų49.45%0.05126%0.259CS..Hα-helixtrans-60.5-42-177.9-62.4-74000111.6G67 T68 I74 W76 I78 Y87G67-I71 WeakPolarHBondContact O-CG1 3.29Å; G67-I71 PolarHBondContact O-N 3.22Å; T68-I71 PolarHBondContact O-N 3.2Å; I71-I74 WeakPolarHBondContact O-CG1 3.27Å; I71-W76 HydrophobicContact CG2-CD2 3.52Å; I71-W76 VanDerWaalsContact CG2-CE2 3.47Å; I71-W76 HydrophobicContact CG2-CE3 3.73Å; I71-W76 HydrophobicContact CG2-CG 4.11Å; I71-W76 HydrophobicContact CG2-CH2 3.95Å; I71-W76 HydrophobicContact CG2-CZ2 3.71Å; I71-W76 HydrophobicContact CG2-CZ3 3.92Å; I71-W76 PolarHBondContact O-N 3.24Å; I71-W76 VanDerWaalsContact O-N 3.07Å; I71-I78 HydrophobicContact CD1-CD1 3.34Å; I71-I78 HydrophobicContact CD1-CG1 4.38Å; I71-I78 HydrophobicContact CG2-CD1 4.48Å; I71-Y87 HydrophobicContact CD1-CD1 4.19Å; I71-Y87 HydrophobicContact CD1-CG 4.02Å; I71-Y87 HydrophobicContact CG1-CD1 3.99Å; I71-Y87 HydrophobicContact CG1-CD2 3.9Å; I71-Y87 HydrophobicContact CG1-CE1 4.2Å; I71-Y87 HydrophobicContact CG1-CE2 4.13Å; I71-Y87 HydrophobicContact CG1-CG 3.82Å; I71-Y87 HydrophobicContact CG2-CD1 4.42Å; I71-Y87 HydrophobicContact CG2-CE1 4.16Å
72E91.8Very high93.1Very high10 Ų1056 Ų565%0.04729%0.288CS..Hα-helixtrans-71.8-41176.1-68.5-6811000111.8T68 I70 I74 E75 W76 L471 Y475T68-E72 HydrophobicContact CG2-CG 4.25Å; T68-E72 WeakPolarHBondContact O-CB 3.34Å; T68-E72 WeakPolarHBondContact O-CG 3.34Å; T68-E72 PolarHBondContact O-N 2.91Å; I70-E72 VanDerWaalsContact C-N 3.34Å; I70-E72 PolarHBondContact O-N 2.91Å; E72-I74 VanDerWaalsContact C-N 3.31Å; E72-I74 PolarHBondContact O-N 3.42Å; E72-E75 PolarHBondContact O-N 3.19Å; E72-E75 VanDerWaalsContact O-N 3.07Å; E72-W76 PolarHBondContact OE1-NE1 3.45Å; E72-L471 WeakPolarHBondContact OE2-CD1 3.39Å; E72-Y475 VanDerWaalsContact CD-OH 3.23Å; E72-Y475 HydrophobicContact CG-CE2 3.88Å; E72-Y475 PolarHBondContact OE1-OH 3.27Å
73Y93Very high92.9Very high169 Ų16956.8 Ų56.866%0.66329%0.289SS*.Hα-helixtrans-62.6-34.3179.1175.5-102.2000113.3L16 M69 I70 E75L16-Y73 HydrophobicContact CD1-CD2 3.93Å; M69-Y73 WeakPolarHBondContact O-CB 3.44Å; M69-Y73 PolarHBondContact O-N 2.81Å; I70-Y73 PolarHBondContact O-N 2.85Å; Y73-E75 VanDerWaalsContact C-N 3.28Å
74I90.7Very high92.9Very high59 Ų5954.2 Ų54.230%0.30327%0.273SS..THydrogen-bonded Turntrans-86.47.5176.268.6-165.3000113.4I70 I71 E72 W76 N77 I78I70-I74 HydrophobicContact CG2-CD1 4.29Å; I70-I74 VanDerWaalsContact O-CG1 3.31Å; I70-I74 WeakPolarHBondContact O-CG1 3.46Å; I70-I74 PolarHBondContact O-N 3.48Å; I71-I74 WeakPolarHBondContact O-CG1 3.27Å; E72-I74 VanDerWaalsContact C-N 3.31Å; E72-I74 PolarHBondContact O-N 3.42Å; I74-W76 PolarHBondContact O-N 3.1Å; I74-N77 WeakPolarHBondContact O-CB 3.35Å; I74-N77 PolarHBondContact O-N 3.48Å; I74-I78 HydrophobicContact CD1-CD1 4.25Å; I74-I78 HydrophobicContact CD1-CG1 3.58Å; I74-I78 HydrophobicContact CG1-CG1 4.36Å
75E89Confident92.8Very high96 Ų9657 Ų5745%0.44929%0.285SS..THydrogen-bonded Turntrans47.646.3-175.5-59.5-169.4160.600112.8S9 I12 E72 Y73 N77S9-E75 WeakPolarHBondContact CB-OE1 3.38Å; I12-E75 HydrophobicContact CD1-CG 3.94Å; E72-E75 PolarHBondContact O-N 3.19Å; E72-E75 VanDerWaalsContact O-N 3.07Å; Y73-E75 VanDerWaalsContact C-N 3.28Å; E75-N77 PolarHBondContact O-N 3.26Å
76W88.7Confident92.7Very high59 Ų5961.5 Ų61.522%0.22331%0.305CS..THydrogen-bonded Turntrans58.211.9-177.5-65.174.3000116I71 E72 I74 I78 Y87 Y88 E192 C193I71-W76 HydrophobicContact CG2-CD2 3.52Å; I71-W76 VanDerWaalsContact CG2-CE2 3.47Å; I71-W76 HydrophobicContact CG2-CE3 3.73Å; I71-W76 HydrophobicContact CG2-CG 4.11Å; I71-W76 HydrophobicContact CG2-CH2 3.95Å; I71-W76 HydrophobicContact CG2-CZ2 3.71Å; I71-W76 HydrophobicContact CG2-CZ3 3.92Å; I71-W76 PolarHBondContact O-N 3.24Å; I71-W76 VanDerWaalsContact O-N 3.07Å; E72-W76 PolarHBondContact OE1-NE1 3.45Å; I74-W76 PolarHBondContact O-N 3.1Å; W76-I78 PolarHBondContact O-N 3.45Å; W76-I78 VanDerWaalsContact O-N 3.12Å; W76-Y87 HydrophobicContact CH2-CD1 4.3Å; W76-Y87 AromaticContact CH2-CE1 3.71Å; W76-Y87 HydrophobicContact CH2-CE1 3.71Å; W76-Y87 HydrophobicContact CZ2-CE1 4.37Å; W76-Y87 HydrophobicContact CZ3-CD1 4.4Å; W76-Y87 HydrophobicContact CZ3-CE1 4.25Å; W76-Y88 HydrophobicContact CH2-CE2 4.31Å; W76-Y88 AromaticContact CZ3-CE2 3.69Å; W76-Y88 HydrophobicContact CZ3-CE2 3.69Å; W76-Y88 AromaticContact CZ3-CZ 3.89Å; W76-Y88 WeakPolarHBondContact CZ3-OH 3.48Å; W76-E192 HydrophobicContact CB-CG 4.33Å; W76-C193 HydrophobicContact CE3-CB 4.31Å; W76-C193 PolarHBondContact O-N 3.45Å
77N89.3Confident92.6Very high70 Ų7060.7 Ų60.737%0.37430%0.297SS..BIsolated β-bridgetrans-7297.7174.2-170.630.5000110.9I74 E75 K190 F191I74-N77 WeakPolarHBondContact O-CB 3.35Å; I74-N77 PolarHBondContact O-N 3.48Å; E75-N77 PolarHBondContact O-N 3.26Å; N77-K190 HydrophobicContact CB-CG 4.36Å; N77-K190 WeakPolarHBondContact OD1-CG 3.35Å; N77-F191 CarbonylContact C-O 3.53Å; N77-F191 WeakPolarHBondContact CA-O 3.14Å; N77-F191 PolarHBondContact OD1-N 3.45Å; N77-F191 PolarHBondContact OD1-O 3.23Å
78I89.2Confident92.6Very high5 Ų560.9 Ų60.93%0.02629%0.292CS..  trans-137.6106.1-170.6-60.3160.9000109.1I71 I74 W76 S80 L83 C84 V150 F191 C193I71-I78 HydrophobicContact CD1-CD1 3.34Å; I71-I78 HydrophobicContact CD1-CG1 4.38Å; I71-I78 HydrophobicContact CG2-CD1 4.48Å; I74-I78 HydrophobicContact CD1-CD1 4.25Å; I74-I78 HydrophobicContact CD1-CG1 3.58Å; I74-I78 HydrophobicContact CG1-CG1 4.36Å; W76-I78 PolarHBondContact O-N 3.45Å; W76-I78 VanDerWaalsContact O-N 3.12Å; I78-S80 WeakPolarHBondContact CG2-O 3.26Å; I78-L83 HydrophobicContact CG2-CB 4.28Å; I78-C84 HydrophobicContact CG2-CB 4.07Å; I78-V150 VanDerWaalsContact O-CG1 3.23Å; I78-V150 WeakPolarHBondContact O-CG1 3.36Å; I78-F191 PolarHBondContact N-O 2.98Å; I78-F191 WeakPolarHBondContact O-CB 3.49Å; I78-C193 HydrophobicContact CB-CB 4.16Å; I78-C193 HydrophobicContact CD1-CB 3.69Å; I78-C193 HydrophobicContact CG1-CB 4.46Å
79D88.5Confident92.6Very high120 Ų12063.8 Ų63.864%0.64231%0.305SS*.  trans-65.5-40.1168.562.6-24.9000112T81 F191D79-T81 PolarHBondContact O-N 3.33Å; D79-T81 VanDerWaalsContact O-N 3.08Å; D79-F191 HydrophobicContact CB-CD2 4.26Å
80S92.1Very high92.6Very high36 Ų3663 Ų6325%0.25230%0.302SS..  trans-77.2100.9-171.9-173.80000112.2I78 F82 L83 C84I78-S80 WeakPolarHBondContact CG2-O 3.26Å; S80-F82 PolarHBondContact O-N 3.46Å; S80-F82 VanDerWaalsContact O-N 3.08Å; S80-L83 PolarHBondContact O-N 2.91Å; S80-L83 PolarHBondContact OG-N 3.44Å; S80-C84 PolarHBondContact O-N 2.77Å
81T93Very high92.5Very high74 Ų7459.3 Ų59.345%0.45428%0.283SS..Hα-helixtrans-50.7-31.1168.2-70.20000112.5D79 K85D79-T81 PolarHBondContact O-N 3.33Å; D79-T81 VanDerWaalsContact O-N 3.08Å; T81-K85 HydrophobicContact CG2-CD 4.13Å; T81-K85 WeakPolarHBondContact O-CB 3.22Å; T81-K85 WeakPolarHBondContact O-CG 3.37Å; T81-K85 PolarHBondContact O-N 2.97Å; T81-K85 VanDerWaalsContact O-N 3.12Å
82F94.7Very high92.5Very high139 Ų13959.5 Ų59.561%0.6128%0.284SS*.Hα-helixtrans-67-52.7173.8176.2-97.4000111.9S80 C84 K85 F86S80-F82 PolarHBondContact O-N 3.46Å; S80-F82 VanDerWaalsContact O-N 3.08Å; F82-C84 VanDerWaalsContact C-N 3.34Å; F82-C84 PolarHBondContact O-N 3.09Å; F82-K85 PolarHBondContact O-N 3.34Å; F82-F86 HydrophobicContact CE1-CB 4.28Å; F82-F86 HydrophobicContact CE1-CG 4.31Å; F82-F86 HydrophobicContact CZ-CB 4.29Å; F82-F86 HydrophobicContact CZ-CD2 4.13Å; F82-F86 HydrophobicContact CZ-CG 4.18Å; F82-F86 WeakPolarHBondContact O-CB 3.45Å; F82-F86 PolarHBondContact O-N 2.88Å
83L93.2Very high92.6Very high96 Ų9659.7 Ų59.750%0.50329%0.286SS..Hα-helixtrans-61.8-43.2-179.5-66178.2000111.6I78 S80 F86 Y87I78-L83 HydrophobicContact CG2-CB 4.28Å; S80-L83 PolarHBondContact O-N 2.91Å; S80-L83 PolarHBondContact OG-N 3.44Å; L83-F86 PolarHBondContact O-N 3.37Å; L83-Y87 WeakPolarHBondContact O-CB 3.4Å; L83-Y87 PolarHBondContact O-N 3.22Å
84C94.2Very high92.7Very high0 Ų053.5 Ų53.50%026%0.262CS..Hα-helixtrans-51.3-58.3172.9175.50000111.2I78 S80 F82 F86 Y87 Y88 V150 C193I78-C84 HydrophobicContact CG2-CB 4.07Å; S80-C84 PolarHBondContact O-N 2.77Å; F82-C84 VanDerWaalsContact C-N 3.34Å; F82-C84 PolarHBondContact O-N 3.09Å; C84-F86 PolarHBondContact O-N 2.82Å; C84-Y87 PolarHBondContact O-N 2.86Å; C84-Y88 WeakPolarHBondContact O-CD2 3.25Å; C84-Y88 PolarHBondContact O-N 3.48Å; C84-V150 HydrophobicContact CB-CG2 3.74Å; C84-C193 WeakPolarHBondContact CA-SG 3.19Å; C84-C193 HydrophobicContact CB-CB 3.72Å; C84-C193 WeakPolarHBondContact CB-SG 3.24Å; C84-C193 WeakPolarHBondContact SG-CB 3.22Å; C84-C193 CovalentContact SG-SG 2.03Å; C84-C193 PolarHBondContact SG-SG 3.39Å
85K95.4Very high92.6Very high64 Ų6452.2 Ų52.228%0.27826%0.256SS..Hα-helixtrans-68.4-34.2-178.3-71-176.1175.9-154.10113.7T81 F82 F89 T145 V148T81-K85 HydrophobicContact CG2-CD 4.13Å; T81-K85 WeakPolarHBondContact O-CB 3.22Å; T81-K85 WeakPolarHBondContact O-CG 3.37Å; T81-K85 PolarHBondContact O-N 2.97Å; T81-K85 VanDerWaalsContact O-N 3.12Å; F82-K85 PolarHBondContact O-N 3.34Å; K85-F89 WeakPolarHBondContact O-CB 3.1Å; K85-F89 PolarHBondContact O-N 3.44Å; K85-T145 HydrophobicContact CB-CG2 4.35Å; K85-T145 VanDerWaalsContact CD-O 3.29Å; K85-T145 WeakPolarHBondContact CD-O 3.4Å; K85-T145 WeakPolarHBondContact CE-O 3.39Å; K85-T145 PolarHBondContact NZ-O 2.85Å; K85-T145 VanDerWaalsContact NZ-O 3.16Å; K85-T145 WeakPolarHBondContact O-CG2 3.48Å; K85-V148 WeakPolarHBondContact CE-O 3.4Å; K85-V148 HydrophobicContact CG-CG2 3.92Å
86F95Very high92.8Very high94 Ų9447.7 Ų47.741%0.41224%0.235SC..Hα-helixtrans-68.7-36.8179.2-174.9-111.7000112.4F82 L83 C84 F89 I90F82-F86 HydrophobicContact CE1-CB 4.28Å; F82-F86 HydrophobicContact CE1-CG 4.31Å; F82-F86 HydrophobicContact CZ-CB 4.29Å; F82-F86 HydrophobicContact CZ-CD2 4.13Å; F82-F86 HydrophobicContact CZ-CG 4.18Å; F82-F86 WeakPolarHBondContact O-CB 3.45Å; F82-F86 PolarHBondContact O-N 2.88Å; L83-F86 PolarHBondContact O-N 3.37Å; C84-F86 PolarHBondContact O-N 2.82Å; F86-F89 HydrophobicContact CD2-CD1 4.47Å; F86-F89 WeakPolarHBondContact O-CB 3.2Å; F86-F89 PolarHBondContact O-N 3.39Å; F86-I90 HydrophobicContact CD1-CD1 4.08Å; F86-I90 HydrophobicContact CE1-CD1 3.51Å; F86-I90 HydrophobicContact CE1-CG1 4.43Å; F86-I90 HydrophobicContact CE2-CD1 4.24Å; F86-I90 HydrophobicContact CE2-CG1 4.46Å; F86-I90 HydrophobicContact CZ-CD1 3.61Å; F86-I90 HydrophobicContact CZ-CG1 4.31Å; F86-I90 WeakPolarHBondContact O-CG1 3.12Å; F86-I90 PolarHBondContact O-N 2.89Å
87Y94.6Very high93.1Very high18 Ų1845.8 Ų45.87%0.07123%0.228CC..Hα-helixtrans-62.7-49.5173.4176.1-112.5000111.8L64 T68 I71 W76 L83 C84 F89 I90 N91L64-Y87 HydrophobicContact CD1-CE2 4.08Å; T68-Y87 PolarHBondContact OG1-OH 3.35Å; I71-Y87 HydrophobicContact CD1-CD1 4.19Å; I71-Y87 HydrophobicContact CD1-CG 4.02Å; I71-Y87 HydrophobicContact CG1-CD1 3.99Å; I71-Y87 HydrophobicContact CG1-CD2 3.9Å; I71-Y87 HydrophobicContact CG1-CE1 4.2Å; I71-Y87 HydrophobicContact CG1-CE2 4.13Å; I71-Y87 HydrophobicContact CG1-CG 3.82Å; I71-Y87 HydrophobicContact CG2-CD1 4.42Å; I71-Y87 HydrophobicContact CG2-CE1 4.16Å; W76-Y87 HydrophobicContact CH2-CD1 4.3Å; W76-Y87 AromaticContact CH2-CE1 3.71Å; W76-Y87 HydrophobicContact CH2-CE1 3.71Å; W76-Y87 HydrophobicContact CZ2-CE1 4.37Å; W76-Y87 HydrophobicContact CZ3-CD1 4.4Å; W76-Y87 HydrophobicContact CZ3-CE1 4.25Å; L83-Y87 WeakPolarHBondContact O-CB 3.4Å; L83-Y87 PolarHBondContact O-N 3.22Å; C84-Y87 PolarHBondContact O-N 2.86Å; Y87-F89 VanDerWaalsContact C-N 3.33Å; Y87-F89 PolarHBondContact O-N 3.5Å; Y87-I90 PolarHBondContact O-N 2.92Å; Y87-N91 WeakPolarHBondContact O-CB 3.35Å; Y87-N91 PolarHBondContact O-N 2.99Å
88Y93.8Very high93.3Very high23 Ų2343 Ų439%0.0921%0.214CC..Hα-helixtrans-60.5-41.3174.6-81.3-97.3000111.7W76 C84 I90 N91 N92 S144 V148 E195W76-Y88 HydrophobicContact CH2-CE2 4.31Å; W76-Y88 AromaticContact CZ3-CE2 3.69Å; W76-Y88 HydrophobicContact CZ3-CE2 3.69Å; W76-Y88 AromaticContact CZ3-CZ 3.89Å; W76-Y88 WeakPolarHBondContact CZ3-OH 3.48Å; C84-Y88 WeakPolarHBondContact O-CD2 3.25Å; C84-Y88 PolarHBondContact O-N 3.48Å; Y88-I90 PolarHBondContact O-N 3.25Å; Y88-N91 PolarHBondContact O-N 3.08Å; Y88-N92 WeakPolarHBondContact O-CB 3.25Å; Y88-N92 VanDerWaalsContact O-CG 3.27Å; Y88-N92 PolarHBondContact O-N 3.19Å; Y88-N92 PolarHBondContact O-ND2 2.9Å; Y88-S144 PolarHBondContact O-OG 2.92Å; Y88-V148 HydrophobicContact CD1-CG1 3.67Å; Y88-V148 HydrophobicContact CD2-CB 4.38Å; Y88-V148 HydrophobicContact CD2-CG1 3.81Å; Y88-V148 HydrophobicContact CD2-CG2 4.12Å; Y88-V148 HydrophobicContact CE1-CG1 3.57Å; Y88-V148 HydrophobicContact CE2-CB 4.35Å; Y88-V148 HydrophobicContact CE2-CG1 3.68Å; Y88-V148 HydrophobicContact CG-CG1 3.8Å; Y88-V148 HydrophobicContact CG-CG2 4.31Å; Y88-E195 HydrophobicContact CE1-CG 4.4Å
89F95.7Very high93.5Very high61 Ų6142.8 Ų42.827%0.26821%0.213SC..Hα-helixtrans-54.8-50.6174.5173.1-103.8000112.8K85 F86 Y87 T93 L142 T145K85-F89 WeakPolarHBondContact O-CB 3.1Å; K85-F89 PolarHBondContact O-N 3.44Å; F86-F89 HydrophobicContact CD2-CD1 4.47Å; F86-F89 WeakPolarHBondContact O-CB 3.2Å; F86-F89 PolarHBondContact O-N 3.39Å; Y87-F89 VanDerWaalsContact C-N 3.33Å; Y87-F89 PolarHBondContact O-N 3.5Å; F89-T93 VanDerWaalsContact O-CB 3.3Å; F89-T93 WeakPolarHBondContact O-CB 3.46Å; F89-T93 PolarHBondContact O-N 2.73Å; F89-T93 VanDerWaalsContact O-N 3.09Å; F89-T93 PolarHBondContact O-OG1 3.45Å; F89-L142 HydrophobicContact CD2-CB 4.35Å; F89-L142 HydrophobicContact CE2-CB 4.25Å; F89-T145 HydrophobicContact CB-CG2 3.73Å; F89-T145 HydrophobicContact CD2-CG2 4.41Å
90I94.9Very high93.7Very high18 Ų1838.5 Ų38.59%0.09219%0.19CC..Hα-helixtrans-65.1-53.4179.4-67.5-178.2000110L64 F86 Y87 Y88 N92 T93 F94L64-I90 HydrophobicContact CB-CG2 3.83Å; L64-I90 HydrophobicContact CD1-CG2 3.96Å; L64-I90 HydrophobicContact CG-CG2 4.31Å; F86-I90 HydrophobicContact CD1-CD1 4.08Å; F86-I90 HydrophobicContact CE1-CD1 3.51Å; F86-I90 HydrophobicContact CE1-CG1 4.43Å; F86-I90 HydrophobicContact CE2-CD1 4.24Å; F86-I90 HydrophobicContact CE2-CG1 4.46Å; F86-I90 HydrophobicContact CZ-CD1 3.61Å; F86-I90 HydrophobicContact CZ-CG1 4.31Å; F86-I90 WeakPolarHBondContact O-CG1 3.12Å; F86-I90 PolarHBondContact O-N 2.89Å; Y87-I90 PolarHBondContact O-N 2.92Å; Y88-I90 PolarHBondContact O-N 3.25Å; I90-N92 VanDerWaalsContact C-N 3.31Å; I90-N92 PolarHBondContact O-N 3.4Å; I90-T93 PolarHBondContact O-N 2.94Å; I90-F94 HydrophobicContact CG2-CD2 3.6Å; I90-F94 HydrophobicContact CG2-CE2 3.85Å; I90-F94 HydrophobicContact CG2-CG 4.48Å; I90-F94 WeakPolarHBondContact O-CD2 3.45Å; I90-F94 PolarHBondContact O-N 3.48Å
91N92.6Very high93.9Very high24 Ų2436.8 Ų36.813%0.12818%0.178CC..Hα-helixtrans-54.8-48.5-176-169.835.4000111.6L64 Y87 Y88 T93 F94 I95L64-N91 HydrophobicContact CD1-CB 3.87Å; Y87-N91 WeakPolarHBondContact O-CB 3.35Å; Y87-N91 PolarHBondContact O-N 2.99Å; Y88-N91 PolarHBondContact O-N 3.08Å; N91-T93 VanDerWaalsContact C-N 3.29Å; N91-T93 PolarHBondContact O-N 3.36Å; N91-F94 PolarHBondContact O-N 2.99Å; N91-I95 WeakPolarHBondContact O-CG1 3.34Å; N91-I95 PolarHBondContact O-N 2.88Å; N91-I95 WeakPolarHBondContact OD1-CD1 3.47Å
92N92.8Very high93.9Very high14 Ų1433.6 Ų33.68%0.07516%0.158CC..Hα-helixtrans-80.3-5-177.7-60.8-40.2000114.1Y88 I90 P96 S144 Q216Y88-N92 WeakPolarHBondContact O-CB 3.25Å; Y88-N92 VanDerWaalsContact O-CG 3.27Å; Y88-N92 PolarHBondContact O-N 3.19Å; Y88-N92 PolarHBondContact O-ND2 2.9Å; I90-N92 VanDerWaalsContact C-N 3.31Å; I90-N92 PolarHBondContact O-N 3.4Å; N92-P96 WeakPolarHBondContact O-CD 3.01Å; N92-P96 WeakPolarHBondContact O-CG 3.25Å; N92-S144 WeakPolarHBondContact CB-OG 3.35Å; N92-S144 WeakPolarHBondContact ND2-CB 3.29Å; N92-S144 PolarHBondContact ND2-OG 3.31Å; N92-Q216 PolarHBondContact OD1-NE2 3.37Å
93T94.4Very high93.9Very high14 Ų1427.4 Ų27.49%0.08613%0.132CC..Hα-helixtrans-90.3-50.6166-610000111F89 I90 N91 P96 F97 C137F89-T93 VanDerWaalsContact O-CB 3.3Å; F89-T93 WeakPolarHBondContact O-CB 3.46Å; F89-T93 PolarHBondContact O-N 2.73Å; F89-T93 VanDerWaalsContact O-N 3.09Å; F89-T93 PolarHBondContact O-OG1 3.45Å; I90-T93 PolarHBondContact O-N 2.94Å; N91-T93 VanDerWaalsContact C-N 3.29Å; N91-T93 PolarHBondContact O-N 3.36Å; T93-P96 WeakPolarHBondContact O-CD 3.47Å; T93-F97 WeakPolarHBondContact O-CB 3.29Å; T93-F97 PolarHBondContact O-N 3.36Å; T93-F97 VanDerWaalsContact O-N 3.16Å; T93-C137 HydrophobicContact CG2-CB 4.27Å
94F94.1Very high93.9Very high40 Ų4024 Ų2418%0.17512%0.116CC..Hα-helixtrans-71.4-41.1-170.2-87.4-99.6000113.5L59 A60 L64 I90 N91 F97 S98L59-F94 HydrophobicContact CB-CE1 3.71Å; L59-F94 HydrophobicContact CB-CZ 3.8Å; A60-F94 HydrophobicContact CB-CD1 3.87Å; A60-F94 HydrophobicContact CB-CE1 4.17Å; L64-F94 HydrophobicContact CD2-CB 3.84Å; L64-F94 HydrophobicContact CD2-CG 4.43Å; I90-F94 HydrophobicContact CG2-CD2 3.6Å; I90-F94 HydrophobicContact CG2-CE2 3.85Å; I90-F94 HydrophobicContact CG2-CG 4.48Å; I90-F94 WeakPolarHBondContact O-CD2 3.45Å; I90-F94 PolarHBondContact O-N 3.48Å; N91-F94 PolarHBondContact O-N 2.99Å; F94-F97 PolarHBondContact O-N 3.18Å; F94-S98 WeakPolarHBondContact O-CB 3.25Å; F94-S98 PolarHBondContact O-N 3.09Å
95I90.5Very high93.9Very high32 Ų3224.2 Ų24.216%0.16412%0.117CC..Hα-helixtrans-59.6-55.3179.6-70.5178.3000112.4N91 F97 S98 S99 F456 Y477N91-I95 WeakPolarHBondContact O-CG1 3.34Å; N91-I95 PolarHBondContact O-N 2.88Å; N91-I95 WeakPolarHBondContact OD1-CD1 3.47Å; I95-F97 VanDerWaalsContact C-N 3.34Å; I95-F97 PolarHBondContact O-N 3.47Å; I95-S98 PolarHBondContact O-N 2.98Å; I95-S99 PolarHBondContact O-N 3.44Å; I95-F456 HydrophobicContact CD1-CE2 4.4Å; I95-F456 HydrophobicContact CG2-CE2 3.67Å; I95-F456 HydrophobicContact CG2-CZ 3.62Å; I95-Y477 HydrophobicContact CD1-CE2 4.07Å
96P92.3Very high93.8Very high1 Ų121.2 Ų21.21%0.00610%0.104CC..Hα-helixtrans-69.1-30.7177.526.1-33.4000112.6N92 T93 S98 S99 L100N92-P96 WeakPolarHBondContact O-CD 3.01Å; N92-P96 WeakPolarHBondContact O-CG 3.25Å; T93-P96 WeakPolarHBondContact O-CD 3.47Å; P96-S98 PolarHBondContact O-N 3.05Å; P96-S99 PolarHBondContact O-N 3.48Å; P96-S99 PolarHBondContact O-OG 2.84Å; P96-S99 VanDerWaalsContact O-OG 3.14Å; P96-L100 WeakPolarHBondContact O-CG 3.4Å; P96-L100 PolarHBondContact O-N 2.92Å
97F94.8Very high93.7Very high19 Ų1921.2 Ų21.28%0.08310%0.104CC..Hα-helixtrans-61.9-45175.4179.6-114000111.8V52 S56 T93 F94 I95 S99 L100 L101 L133 I134 C137V52-F97 HydrophobicContact CG1-CZ 4.37Å; S56-F97 WeakPolarHBondContact OG-CD1 3.45Å; S56-F97 WeakPolarHBondContact OG-CE1 3.19Å; T93-F97 WeakPolarHBondContact O-CB 3.29Å; T93-F97 PolarHBondContact O-N 3.36Å; T93-F97 VanDerWaalsContact O-N 3.16Å; F94-F97 PolarHBondContact O-N 3.18Å; I95-F97 VanDerWaalsContact C-N 3.34Å; I95-F97 PolarHBondContact O-N 3.47Å; F97-S99 PolarHBondContact O-N 3.3Å; F97-L100 PolarHBondContact O-N 3.42Å; F97-L101 HydrophobicContact CE1-CD2 4.17Å; F97-L101 HydrophobicContact CZ-CD2 4.28Å; F97-L101 WeakPolarHBondContact O-CB 3.39Å; F97-L101 PolarHBondContact O-N 3.34Å; F97-L133 HydrophobicContact CD2-CB 4.15Å; F97-L133 HydrophobicContact CE2-CB 4Å; F97-I134 HydrophobicContact CD2-CG1 4.14Å; F97-I134 HydrophobicContact CE2-CD1 4.41Å; F97-I134 HydrophobicContact CE2-CG1 3.46Å; F97-I134 VanDerWaalsContact CE2-CG1 3.46Å; F97-I134 HydrophobicContact CZ-CD1 4.29Å; F97-I134 HydrophobicContact CZ-CG1 3.74Å; F97-C137 VanDerWaalsContact CA-SG 3.51Å; F97-C137 HydrophobicContact CB-CB 3.93Å
98S93.6Very high93.6Very high11 Ų1120.6 Ų20.68%0.07710%0.102CC..Hα-helixtrans-60.7-44.2175.6-171.10000111.8F94 I95 P96 L100 L101 I102F94-S98 WeakPolarHBondContact O-CB 3.25Å; F94-S98 PolarHBondContact O-N 3.09Å; I95-S98 PolarHBondContact O-N 2.98Å; P96-S98 PolarHBondContact O-N 3.05Å; S98-L100 PolarHBondContact O-N 2.89Å; S98-L101 PolarHBondContact O-N 2.85Å; S98-I102 VanDerWaalsContact O-CG1 3.28Å; S98-I102 WeakPolarHBondContact O-CG1 3.49Å; S98-I102 PolarHBondContact O-N 2.94Å
99S92.8Very high93.5Very high1 Ų119.6 Ų19.61%0.00710%0.098CC..Hα-helixtrans-61.9-43.8179.5960000112.7I95 P96 F97 S103 C223 Y452I95-S99 PolarHBondContact O-N 3.44Å; P96-S99 PolarHBondContact O-N 3.48Å; P96-S99 PolarHBondContact O-OG 2.84Å; P96-S99 VanDerWaalsContact O-OG 3.14Å; F97-S99 PolarHBondContact O-N 3.3Å; S99-S103 PolarHBondContact O-N 3.37Å; S99-S103 VanDerWaalsContact O-N 3.14Å; S99-S103 PolarHBondContact O-OG 2.98Å; S99-C223 PolarHBondContact O-SG 3.3Å; S99-Y452 WeakPolarHBondContact CB-OH 3.44Å
100L93.9Very high93.2Very high30 Ų3018.5 Ų18.516%0.1579%0.092CC..Hα-helixtrans-76.3-32-179.9-63.5176.4000112.2P96 F97 S98 S103 C104 L133P96-L100 WeakPolarHBondContact O-CG 3.4Å; P96-L100 PolarHBondContact O-N 2.92Å; F97-L100 PolarHBondContact O-N 3.42Å; S98-L100 PolarHBondContact O-N 2.89Å; L100-S103 WeakPolarHBondContact O-CB 3.47Å; L100-S103 PolarHBondContact O-N 3.42Å; L100-C104 PolarHBondContact O-N 2.88Å; L100-C104 PolarHBondContact O-SG 3.28Å; L100-L133 HydrophobicContact CB-CD1 4.17Å; L100-L133 HydrophobicContact CB-CD2 3.79Å; L100-L133 HydrophobicContact CD1-CD2 3.97Å; L100-L133 HydrophobicContact CG-CD2 4.46Å
101L95.4Very high93Very high0 Ų020.2 Ų20.20%010%0.099CC..Hα-helixtrans-64.8-46.4172.9-178.561.3000111.2F49 V52 L53 F97 S98 S103 C104 I105F49-L101 HydrophobicContact CD1-CD1 4.02Å; F49-L101 HydrophobicContact CE1-CD1 4.36Å; V52-L101 HydrophobicContact CG1-CD1 4.11Å; V52-L101 HydrophobicContact CG1-CD2 4.08Å; L53-L101 HydrophobicContact CB-CD2 4.23Å; L53-L101 HydrophobicContact CD1-CD2 4.04Å; F97-L101 HydrophobicContact CE1-CD2 4.17Å; F97-L101 HydrophobicContact CZ-CD2 4.28Å; F97-L101 WeakPolarHBondContact O-CB 3.39Å; F97-L101 PolarHBondContact O-N 3.34Å; S98-L101 PolarHBondContact O-N 2.85Å; L101-S103 VanDerWaalsContact C-N 3.26Å; L101-S103 PolarHBondContact O-N 3.49Å; L101-C104 PolarHBondContact O-N 3.22Å; L101-I105 HydrophobicContact CG-CD1 4.17Å; L101-I105 VanDerWaalsContact O-CG1 3.29Å; L101-I105 WeakPolarHBondContact O-CG1 3.13Å; L101-I105 PolarHBondContact O-N 2.9Å
102I93.8Very high92.7Very high7 Ų721 Ų214%0.03611%0.106CC..Hα-helixtrans-59.5-39174.3-68.8167.8000110.9S98 I105 A106 V227 A449 Y452S98-I102 VanDerWaalsContact O-CG1 3.28Å; S98-I102 WeakPolarHBondContact O-CG1 3.49Å; S98-I102 PolarHBondContact O-N 2.94Å; I102-I105 WeakPolarHBondContact O-CB 3.25Å; I102-I105 PolarHBondContact O-N 3.23Å; I102-A106 PolarHBondContact O-N 3.12Å; I102-V227 HydrophobicContact CG2-CG2 3.92Å; I102-A449 HydrophobicContact CG2-CB 3.86Å; I102-Y452 HydrophobicContact CD1-CD1 4.02Å; I102-Y452 HydrophobicContact CD1-CD2 3.82Å; I102-Y452 HydrophobicContact CD1-CE2 4.4Å; I102-Y452 HydrophobicContact CD1-CG 3.62Å
103S94Very high92.4Very high8 Ų821.8 Ų21.86%0.05611%0.11CC..Hα-helixtrans-63.9-45174.8-60.30000112.5S99 L100 L101 I105 A106 F107 C223S99-S103 PolarHBondContact O-N 3.37Å; S99-S103 VanDerWaalsContact O-N 3.14Å; S99-S103 PolarHBondContact O-OG 2.98Å; L100-S103 WeakPolarHBondContact O-CB 3.47Å; L100-S103 PolarHBondContact O-N 3.42Å; L101-S103 VanDerWaalsContact C-N 3.26Å; L101-S103 PolarHBondContact O-N 3.49Å; S103-I105 VanDerWaalsContact C-N 3.33Å; S103-I105 PolarHBondContact O-N 3.49Å; S103-A106 WeakPolarHBondContact O-CB 3.49Å; S103-A106 PolarHBondContact O-N 2.9Å; S103-F107 WeakPolarHBondContact O-CD2 3.38Å; S103-F107 PolarHBondContact O-N 2.93Å; S103-F107 VanDerWaalsContact O-N 3.09Å; S103-C223 WeakPolarHBondContact OG-CA 3.48Å; S103-C223 PolarHBondContact OG-SG 3.49Å
104C94.3Very high92Very high25 Ų2522.2 Ų22.217%0.16911%0.113CC..Hα-helixtrans-66.5-34.4176.2-74.30000112.7F49 L100 L101 F107 D108 L133F49-C104 HydrophobicContact CE1-CB 4.17Å; L100-C104 PolarHBondContact O-N 2.88Å; L100-C104 PolarHBondContact O-SG 3.28Å; L101-C104 PolarHBondContact O-N 3.22Å; C104-F107 PolarHBondContact O-N 3.44Å; C104-D108 WeakPolarHBondContact O-CB 3.49Å; C104-D108 PolarHBondContact O-N 3.05Å; C104-L133 HydrophobicContact CB-CD1 4.49Å
105I94.1Very high91.5Very high5 Ų524.3 Ų24.33%0.02612%0.123CC..Hα-helixtrans-60.5-45.4171-73.7167.9000110.7F49 L53 L101 I102 S103 F107 D108 R109 L445F49-I105 HydrophobicContact CB-CD1 4.35Å; F49-I105 HydrophobicContact CB-CG1 3.87Å; F49-I105 HydrophobicContact CD1-CG1 3.74Å; F49-I105 HydrophobicContact CG-CG1 3.91Å; L53-I105 HydrophobicContact CD2-CD1 4.23Å; L101-I105 HydrophobicContact CG-CD1 4.17Å; L101-I105 VanDerWaalsContact O-CG1 3.29Å; L101-I105 WeakPolarHBondContact O-CG1 3.13Å; L101-I105 PolarHBondContact O-N 2.9Å; I102-I105 WeakPolarHBondContact O-CB 3.25Å; I102-I105 PolarHBondContact O-N 3.23Å; S103-I105 VanDerWaalsContact C-N 3.33Å; S103-I105 PolarHBondContact O-N 3.49Å; I105-F107 VanDerWaalsContact C-N 3.32Å; I105-F107 PolarHBondContact O-N 2.93Å; I105-D108 PolarHBondContact O-N 3.02Å; I105-R109 HydrophobicContact CG2-CG 4.38Å; I105-R109 WeakPolarHBondContact O-CB 3.18Å; I105-R109 VanDerWaalsContact O-CG 3.29Å; I105-R109 WeakPolarHBondContact O-CG 3.16Å; I105-R109 PolarHBondContact O-N 3.16Å; I105-L445 HydrophobicContact CG2-CB 4.02Å; I105-L445 HydrophobicContact CG2-CD1 3.76Å; I105-L445 HydrophobicContact CG2-CD2 4.23Å; I105-L445 HydrophobicContact CG2-CG 4.21Å
106A93.5Very high90.8Very high0 Ų026.6 Ų26.60%014%0.14CC..Hα-helixtrans-61.5-39.5176.700000112I102 S103 Y110 V227 L230 Y231I102-A106 PolarHBondContact O-N 3.12Å; S103-A106 WeakPolarHBondContact O-CB 3.49Å; S103-A106 PolarHBondContact O-N 2.9Å; A106-Y110 WeakPolarHBondContact O-CB 3.29Å; A106-Y110 PolarHBondContact O-N 2.97Å; A106-V227 HydrophobicContact CB-CG2 4.39Å; A106-L230 HydrophobicContact CB-CB 4.18Å; A106-L230 HydrophobicContact CB-CD1 3.8Å; A106-Y231 HydrophobicContact CB-CD2 4.34Å; A106-Y231 HydrophobicContact CB-CE2 3.8Å
107F92.7Very high90Very high95 Ų9535 Ų3542%0.41718%0.177SC..Hα-helixtrans-64.8-47.7174.4-87.9-66.6000112.8S103 C104 I105 R109 Y110 F111 C226 L230S103-F107 WeakPolarHBondContact O-CD2 3.38Å; S103-F107 PolarHBondContact O-N 2.93Å; S103-F107 VanDerWaalsContact O-N 3.09Å; C104-F107 PolarHBondContact O-N 3.44Å; I105-F107 VanDerWaalsContact C-N 3.32Å; I105-F107 PolarHBondContact O-N 2.93Å; F107-R109 PolarHBondContact O-N 3.31Å; F107-Y110 WeakPolarHBondContact O-CB 3.35Å; F107-Y110 PolarHBondContact O-N 2.84Å; F107-F111 AromaticContact CD1-CE2 3.99Å; F107-F111 HydrophobicContact CD1-CE2 3.99Å; F107-F111 VanDerWaalsContact O-CD2 3.25Å; F107-F111 WeakPolarHBondContact O-CD2 3.46Å; F107-F111 PolarHBondContact O-N 3.3Å; F107-C226 WeakPolarHBondContact CE2-SG 3.38Å; F107-L230 HydrophobicContact CB-CD1 4.31Å; F107-L230 HydrophobicContact CD1-CD1 3.71Å; F107-L230 HydrophobicContact CD1-CD2 4Å; F107-L230 HydrophobicContact CD2-CD1 3.82Å; F107-L230 HydrophobicContact CE1-CD1 3.92Å; F107-L230 HydrophobicContact CE1-CD2 3.98Å; F107-L230 HydrophobicContact CE2-CD1 4.04Å; F107-L230 HydrophobicContact CG-CD1 3.65Å; F107-L230 HydrophobicContact CZ-CD1 4.09Å
108D91.6Very high88.9Confident4 Ų440.6 Ų40.62%0.02120%0.201CC..Hα-helixtrans-56.3-49175.7168.373.6000111.4T45 F49 C104 I105 Y110 F111 C112 L121T45-D108 WeakPolarHBondContact CB-OD1 3.28Å; T45-D108 PolarHBondContact OG1-OD1 3.48Å; F49-D108 HydrophobicContact CD2-CB 3.98Å; F49-D108 HydrophobicContact CE2-CB 3.54Å; F49-D108 HydrophobicContact CZ-CB 4.26Å; C104-D108 WeakPolarHBondContact O-CB 3.49Å; C104-D108 PolarHBondContact O-N 3.05Å; I105-D108 PolarHBondContact O-N 3.02Å; D108-Y110 VanDerWaalsContact C-N 3.33Å; D108-Y110 PolarHBondContact O-N 3.23Å; D108-F111 PolarHBondContact O-N 2.96Å; D108-C112 WeakPolarHBondContact O-CB 3.19Å; D108-C112 PolarHBondContact O-N 3.24Å; D108-L121 HydrophobicContact CB-CD2 3.71Å
109R91.2Very high87.7Confident2 Ų246.4 Ų46.41%0.00823%0.231CC..Hα-helixtrans-64.5-35.9177.1-65-61.187.9-165.3-0.2112.1I105 F107 L113 I234 A442 L445I105-R109 HydrophobicContact CG2-CG 4.38Å; I105-R109 WeakPolarHBondContact O-CB 3.18Å; I105-R109 VanDerWaalsContact O-CG 3.29Å; I105-R109 WeakPolarHBondContact O-CG 3.16Å; I105-R109 PolarHBondContact O-N 3.16Å; F107-R109 PolarHBondContact O-N 3.31Å; R109-L113 WeakPolarHBondContact O-CB 3.5Å; R109-L113 WeakPolarHBondContact O-CG 3.34Å; R109-L113 PolarHBondContact O-N 2.9Å; R109-L113 VanDerWaalsContact O-N 3.09Å; R109-I234 HydrophobicContact CB-CD1 4.17Å; R109-A442 HydrophobicContact CB-CB 4.11Å; R109-A442 HydrophobicContact CG-CB 4.17Å; R109-L445 HydrophobicContact CG-CD1 4.16Å
110Y90.9Very high87Confident39 Ų3949.9 Ų49.915%0.15325%0.249CC..Hα-helixtrans-62.1-53.4174.8170.7-99.3000111.9A106 F107 D108 L113 C114 H115 L230 L233 I234A106-Y110 WeakPolarHBondContact O-CB 3.29Å; A106-Y110 PolarHBondContact O-N 2.97Å; F107-Y110 WeakPolarHBondContact O-CB 3.35Å; F107-Y110 PolarHBondContact O-N 2.84Å; D108-Y110 VanDerWaalsContact C-N 3.33Å; D108-Y110 PolarHBondContact O-N 3.23Å; Y110-L113 PolarHBondContact O-N 3.46Å; Y110-C114 HydrophobicContact CD2-CB 4.21Å; Y110-C114 HydrophobicContact CE2-CB 3.92Å; Y110-C114 WeakPolarHBondContact O-CB 3.47Å; Y110-C114 PolarHBondContact O-N 3.29Å; Y110-C114 PolarHBondContact O-SG 2.91Å; Y110-C114 VanDerWaalsContact O-SG 3.34Å; Y110-H115 AromaticContact CE1-CD2 3.71Å; Y110-H115 AromaticContact CE1-NE2 3.2Å; Y110-H115 WeakPolarHBondContact CE1-NE2 3.49Å; Y110-H115 AromaticContact CE2-NE2 3.88Å; Y110-H115 AromaticContact CZ-CD2 3.87Å; Y110-H115 AromaticContact CZ-NE2 2.79Å; Y110-H115 PolarHBondContact OH-NE2 3.28Å; Y110-L230 HydrophobicContact CD1-CD2 4.22Å; Y110-L230 HydrophobicContact CD2-CD2 4.28Å; Y110-L230 HydrophobicContact CG-CD2 3.89Å; Y110-L233 HydrophobicContact CD2-CB 4.09Å; Y110-L233 HydrophobicContact CE2-CB 3.83Å; Y110-L233 HydrophobicContact CE2-CD1 4.27Å; Y110-I234 HydrophobicContact CD2-CG1 4.17Å
111F89.1Confident86.4Confident54 Ų5450.6 Ų50.624%0.23725%0.253CS..Hα-helixtrans-66.7-42.8-179.5-71.9-64.8000112F107 D108 L113 H115 I120F107-F111 AromaticContact CD1-CE2 3.99Å; F107-F111 HydrophobicContact CD1-CE2 3.99Å; F107-F111 VanDerWaalsContact O-CD2 3.25Å; F107-F111 WeakPolarHBondContact O-CD2 3.46Å; F107-F111 PolarHBondContact O-N 3.3Å; D108-F111 PolarHBondContact O-N 2.96Å; F111-L113 VanDerWaalsContact C-N 3.31Å; F111-L113 PolarHBondContact O-N 3.37Å; F111-H115 HydrophobicContact CD1-CB 4.45Å; F111-H115 AromaticContact CD1-CD2 3.89Å; F111-H115 CarbonylContact O-C 3.51Å; F111-H115 VanDerWaalsContact O-C 3.26Å; F111-H115 WeakPolarHBondContact O-CA 3.28Å; F111-H115 PolarHBondContact O-N 3.35Å; F111-I120 HydrophobicContact CD1-CD1 3.53Å; F111-I120 HydrophobicContact CE1-CD1 3.53Å; F111-I120 HydrophobicContact CG-CD1 4.27Å; F111-I120 HydrophobicContact CZ-CD1 4.27Å
112C86.4Confident86.1Confident39 Ų3953.2 Ų53.226%0.26427%0.269SS..Hα-helixtrans-59-37.4178.2-175.70000113.2D108D108-C112 WeakPolarHBondContact O-CB 3.19Å; D108-C112 PolarHBondContact O-N 3.24Å
113L86.3Confident85.8Confident32 Ų3257.7 Ų57.717%0.16829%0.286CS..Hα-helixtrans-92-37.5-179.1-68.6177.2000114.2R109 Y110 F111 I234 N438 L439 A442R109-L113 WeakPolarHBondContact O-CB 3.5Å; R109-L113 WeakPolarHBondContact O-CG 3.34Å; R109-L113 PolarHBondContact O-N 2.9Å; R109-L113 VanDerWaalsContact O-N 3.09Å; Y110-L113 PolarHBondContact O-N 3.46Å; F111-L113 VanDerWaalsContact C-N 3.31Å; F111-L113 PolarHBondContact O-N 3.37Å; L113-I234 HydrophobicContact CD1-CG2 3.77Å; L113-N438 HydrophobicContact CD2-CB 3.85Å; L113-L439 HydrophobicContact CD1-CD1 4.44Å; L113-A442 HydrophobicContact CD1-CB 3.51Å
114C86.1Confident85.6Confident23 Ų2361.1 Ų61.116%0.15530%0.303CS..Hα-helixtrans-93.5-30.4-172.5-55.60000113.2Y110 P116 S237Y110-C114 HydrophobicContact CD2-CB 4.21Å; Y110-C114 HydrophobicContact CE2-CB 3.92Å; Y110-C114 WeakPolarHBondContact O-CB 3.47Å; Y110-C114 PolarHBondContact O-N 3.29Å; Y110-C114 PolarHBondContact O-SG 2.91Å; Y110-C114 VanDerWaalsContact O-SG 3.34Å; C114-P116 VanDerWaalsContact C-CD 3.42Å; C114-S237 WeakPolarHBondContact SG-CB 3.42Å; C114-S237 PolarHBondContact SG-OG 2.9Å; C114-S237 VanDerWaalsContact SG-OG 3.41Å
115H84.2Confident85.5Confident84 Ų8466.9 Ų66.939%0.38932%0.321SS..  trans-129.754.1-175.7-58.9-75.1000112.2Y110 F111 F117 K118Y110-H115 AromaticContact CE1-CD2 3.71Å; Y110-H115 AromaticContact CE1-NE2 3.2Å; Y110-H115 WeakPolarHBondContact CE1-NE2 3.49Å; Y110-H115 AromaticContact CE2-NE2 3.88Å; Y110-H115 AromaticContact CZ-CD2 3.87Å; Y110-H115 AromaticContact CZ-NE2 2.79Å; Y110-H115 PolarHBondContact OH-NE2 3.28Å; F111-H115 HydrophobicContact CD1-CB 4.45Å; F111-H115 AromaticContact CD1-CD2 3.89Å; F111-H115 CarbonylContact O-C 3.51Å; F111-H115 VanDerWaalsContact O-C 3.26Å; F111-H115 WeakPolarHBondContact O-CA 3.28Å; F111-H115 PolarHBondContact O-N 3.35Å; H115-F117 PolarHBondContact O-N 3.25Å; H115-K118 HydrophobicContact CB-CB 4.13Å; H115-K118 HydrophobicContact CB-CD 4.47Å; H115-K118 HydrophobicContact CB-CG 4.36Å; H115-K118 PolarHBondContact O-N 3.38Å
116P76.1Confident85.5Confident80 Ų8066.6 Ų66.652%0.51932%0.32SS..THydrogen-bonded Turntrans-66.2-0.5-171.729.9-38.9000115.6C114C114-P116 VanDerWaalsContact C-CD 3.42Å
117F75.1Confident85.6Confident178 Ų17871.3 Ų71.378%0.78134%0.34SS*.THydrogen-bonded Turntrans-107.1-5.1172.5-58.2-71000113H115H115-F117 PolarHBondContact O-N 3.25Å
118K71.5Confident85.7Confident135 Ų13572.8 Ų72.859%0.58735%0.348SS*.  trans-103.394.6173.5-63.6-167.1174.9-169.20108.5H115 I120H115-K118 HydrophobicContact CB-CB 4.13Å; H115-K118 HydrophobicContact CB-CD 4.47Å; H115-K118 HydrophobicContact CB-CG 4.36Å; H115-K118 PolarHBondContact O-N 3.38Å; K118-I120 HydrophobicContact CB-CD1 3.81Å; K118-I120 HydrophobicContact CB-CG1 3.95Å; K118-I120 HydrophobicContact CD-CD1 4.3Å; K118-I120 PolarHBondContact O-N 3.28Å
119N69Low86Confident133 Ų13375.2 Ų75.271%0.71136%0.363SS*.  trans-72.856.3178.7-66.9-14.8000112.1
120I78.6Confident86.2Confident74 Ų7475.6 Ų75.638%0.37937%0.365SS..  trans-66.6-52.7-175.3-67.9164.4000109.7F111 K118 R125F111-I120 HydrophobicContact CD1-CD1 3.53Å; F111-I120 HydrophobicContact CE1-CD1 3.53Å; F111-I120 HydrophobicContact CG-CD1 4.27Å; F111-I120 HydrophobicContact CZ-CD1 4.27Å; K118-I120 HydrophobicContact CB-CD1 3.81Å; K118-I120 HydrophobicContact CB-CG1 3.95Å; K118-I120 HydrophobicContact CD-CD1 4.3Å; K118-I120 PolarHBondContact O-N 3.28Å; I120-R125 WeakPolarHBondContact O-CD 3.29Å; I120-R125 PolarHBondContact O-NH1 3.2Å
121L81.3Confident86.5Confident45 Ų4579.9 Ų79.924%0.23639%0.385CS..SBendtrans-102.699.4179.8-166.465.7000110.2F49 D108 R125 A126F49-L121 HydrophobicContact CE2-CD2 3.87Å; F49-L121 HydrophobicContact CZ-CD2 4.06Å; D108-L121 HydrophobicContact CB-CD2 3.71Å; L121-R125 HydrophobicContact CD1-CB 4.11Å; L121-A126 HydrophobicContact CD1-CB 4.13Å; L121-A126 HydrophobicContact CD2-CB 4.42Å; L121-A126 HydrophobicContact CG-CB 4.15Å
122T87.4Confident86.9Confident56 Ų5681.6 Ų81.634%0.34440%0.396SS..  trans-83.5165.6169.461.80000110.4D124 R125 A126T122-D124 PolarHBondContact O-N 3.42Å; T122-R125 PolarHBondContact O-N 2.91Å; T122-R125 WeakPolarHBondContact OG1-CG 3.5Å; T122-R125 PolarHBondContact OG1-N 3.46Å; T122-A126 PolarHBondContact O-N 3.22Å
123R88.2Confident87.4Confident101 Ų10180.7 Ų80.738%0.38139%0.388SS..Hα-helixtrans-54.9-41.2178.5-170.4-179.9-175.2-166.43.6112L48 A126 K127L48-R123 HydrophobicContact CD2-CG 4.12Å; R123-A126 WeakPolarHBondContact O-CB 3.5Å; R123-A126 PolarHBondContact O-N 3.48Å; R123-K127 WeakPolarHBondContact O-CG 3.48Å; R123-K127 PolarHBondContact O-N 3.39Å
124D89.9Confident87.9Confident79 Ų7982.6 Ų82.642%0.42240%0.398SS..Hα-helixtrans-79.4-33.9-176.3-53.5-72.3000112.2T122 A126 K127 H128T122-D124 PolarHBondContact O-N 3.42Å; D124-A126 VanDerWaalsContact C-N 3.31Å; D124-A126 PolarHBondContact O-N 2.89Å; D124-K127 WeakPolarHBondContact O-CB 3.43Å; D124-K127 PolarHBondContact O-N 2.6Å; D124-K127 WeakPolarHBondContact OD1-CE 3.27Å; D124-K127 IonicContact OD1-NZ 2.66Å; D124-K127 PolarHBondContact OD1-NZ 2.92Å; D124-H128 PolarHBondContact O-N 3.5Å; D124-H128 VanDerWaalsContact O-N 3.08Å; D124-H128 PolarHBondContact O-ND1 2.82Å
125R93.2Very high88.4Confident146 Ų14685.6 Ų85.655%0.55141%0.412SS*.Hα-helixtrans-60.4-40.8166.2-74.2177.1177.9165.11.9111.5I120 L121 T122 H128 V129I120-R125 WeakPolarHBondContact O-CD 3.29Å; I120-R125 PolarHBondContact O-NH1 3.2Å; L121-R125 HydrophobicContact CD1-CB 4.11Å; T122-R125 PolarHBondContact O-N 2.91Å; T122-R125 WeakPolarHBondContact OG1-CG 3.5Å; T122-R125 PolarHBondContact OG1-N 3.46Å; R125-H128 PolarHBondContact O-N 3.46Å; R125-V129 WeakPolarHBondContact O-CG2 3.26Å; R125-V129 PolarHBondContact O-N 2.91Å
126A93.8Very high88.9Confident0 Ų085.4 Ų85.40%041%0.413CS..Hα-helixtrans-62.3-42.1175.500000112.4T45 L48 F49 L121 T122 R123 D124 H128 V129 I130T45-A126 HydrophobicContact CG2-CB 4.4Å; L48-A126 HydrophobicContact CD2-CB 4.01Å; F49-A126 HydrophobicContact CE2-CB 4.02Å; F49-A126 HydrophobicContact CZ-CB 4Å; L121-A126 HydrophobicContact CD1-CB 4.13Å; L121-A126 HydrophobicContact CD2-CB 4.42Å; L121-A126 HydrophobicContact CG-CB 4.15Å; T122-A126 PolarHBondContact O-N 3.22Å; R123-A126 WeakPolarHBondContact O-CB 3.5Å; R123-A126 PolarHBondContact O-N 3.48Å; D124-A126 VanDerWaalsContact C-N 3.31Å; D124-A126 PolarHBondContact O-N 2.89Å; A126-H128 PolarHBondContact O-N 2.64Å; A126-V129 PolarHBondContact O-N 3.49Å; A126-I130 WeakPolarHBondContact O-CB 3.48Å; A126-I130 WeakPolarHBondContact O-CD1 3.35Å; A126-I130 VanDerWaalsContact O-CG1 3.23Å; A126-I130 WeakPolarHBondContact O-CG1 3.5Å; A126-I130 PolarHBondContact O-N 3.36Å
127K95.2Very high89.9Confident98 Ų9881.6 Ų81.643%0.42639%0.388SS..Hα-helixtrans-56.5-47.3171.6-65.9172.4-174.2164.60112L48 R123 D124 I130 F131L48-K127 HydrophobicContact CD2-CG 3.9Å; R123-K127 WeakPolarHBondContact O-CG 3.48Å; R123-K127 PolarHBondContact O-N 3.39Å; D124-K127 WeakPolarHBondContact O-CB 3.43Å; D124-K127 PolarHBondContact O-N 2.6Å; D124-K127 WeakPolarHBondContact OD1-CE 3.27Å; D124-K127 IonicContact OD1-NZ 2.66Å; D124-K127 PolarHBondContact OD1-NZ 2.92Å; K127-I130 PolarHBondContact O-N 3.09Å; K127-F131 WeakPolarHBondContact O-CB 3.39Å; K127-F131 PolarHBondContact O-N 3.33Å
128H95.5Very high90.9Very high126 Ų12675 Ų7558%0.58336%0.364SS*.Hα-helixtrans-64.3-42.5-178.9-73.771.7000111.6D124 R125 A126 F131 I132D124-H128 PolarHBondContact O-N 3.5Å; D124-H128 VanDerWaalsContact O-N 3.08Å; D124-H128 PolarHBondContact O-ND1 2.82Å; R125-H128 PolarHBondContact O-N 3.46Å; A126-H128 PolarHBondContact O-N 2.64Å; H128-F131 PolarHBondContact O-N 3.27Å; H128-I132 WeakPolarHBondContact O-CD1 3.47Å; H128-I132 VanDerWaalsContact O-CG1 3.27Å; H128-I132 WeakPolarHBondContact O-CG1 3.47Å; H128-I132 PolarHBondContact O-N 3.47Å
129V96Very high92Very high55 Ų5573.7 Ų73.733%0.33336%0.362SS..Hα-helixtrans-60.3-45.7174.3170.80000111.2R125 A126 F131 I132 L133R125-V129 WeakPolarHBondContact O-CG2 3.26Å; R125-V129 PolarHBondContact O-N 2.91Å; A126-V129 PolarHBondContact O-N 3.49Å; V129-F131 PolarHBondContact O-N 3.38Å; V129-I132 PolarHBondContact O-N 3.41Å; V129-L133 WeakPolarHBondContact O-CG 3.31Å; V129-L133 PolarHBondContact O-N 3.5Å
130I96.9Very high93.1Very high10 Ų1069.1 Ų69.15%0.05134%0.338CS..Hα-helixtrans-62.7-42.5178.3-69.1164.7000111.2L48 F49 V52 A126 K127 L133 I134L48-I130 HydrophobicContact CD2-CD1 4.38Å; L48-I130 HydrophobicContact CG-CD1 4.37Å; F49-I130 HydrophobicContact CD1-CD1 3.98Å; F49-I130 HydrophobicContact CE1-CD1 3.76Å; F49-I130 HydrophobicContact CE1-CG1 4Å; F49-I130 HydrophobicContact CZ-CD1 4.44Å; V52-I130 HydrophobicContact CB-CD1 4.47Å; V52-I130 HydrophobicContact CG1-CD1 4.38Å; V52-I130 HydrophobicContact CG1-CG2 3.87Å; V52-I130 HydrophobicContact CG2-CD1 4.16Å; V52-I130 HydrophobicContact CG2-CG2 4.48Å; A126-I130 WeakPolarHBondContact O-CB 3.48Å; A126-I130 WeakPolarHBondContact O-CD1 3.35Å; A126-I130 VanDerWaalsContact O-CG1 3.23Å; A126-I130 WeakPolarHBondContact O-CG1 3.5Å; A126-I130 PolarHBondContact O-N 3.36Å; K127-I130 PolarHBondContact O-N 3.09Å; I130-L133 PolarHBondContact O-N 2.89Å; I130-I134 HydrophobicContact CG2-CD1 4.13Å; I130-I134 WeakPolarHBondContact O-CG1 3.23Å; I130-I134 PolarHBondContact O-N 3.01Å
131F97.1Very high93.9Very high129 Ų12965.6 Ų65.657%0.56632%0.32SS*.Hα-helixtrans-61.9-44.1175.6179.6-106.6000112.3K127 H128 V129 L133 I134 L135K127-F131 WeakPolarHBondContact O-CB 3.39Å; K127-F131 PolarHBondContact O-N 3.33Å; H128-F131 PolarHBondContact O-N 3.27Å; V129-F131 PolarHBondContact O-N 3.38Å; F131-L133 VanDerWaalsContact C-N 3.34Å; F131-L133 PolarHBondContact O-N 2.92Å; F131-I134 PolarHBondContact O-N 3.45Å; F131-L135 HydrophobicContact CD1-CD1 4.11Å; F131-L135 HydrophobicContact CE1-CD1 3.57Å; F131-L135 HydrophobicContact CE1-CG 4.28Å; F131-L135 HydrophobicContact CZ-CD1 3.87Å; F131-L135 HydrophobicContact CZ-CD2 4.39Å; F131-L135 HydrophobicContact CZ-CG 4.25Å; F131-L135 PolarHBondContact O-N 3.21Å
132I97.3Very high94.6Very high91 Ų9168 Ų6847%0.46733%0.332SS..Hα-helixtrans-61.7-40.9175.3-69.2163.8000111.2H128 V129 L135 I136H128-I132 WeakPolarHBondContact O-CD1 3.47Å; H128-I132 VanDerWaalsContact O-CG1 3.27Å; H128-I132 WeakPolarHBondContact O-CG1 3.47Å; H128-I132 PolarHBondContact O-N 3.47Å; V129-I132 PolarHBondContact O-N 3.41Å; I132-L135 PolarHBondContact O-N 3.29Å; I132-I136 HydrophobicContact CG2-CD1 3.71Å; I132-I136 HydrophobicContact CG2-CG1 4.41Å; I132-I136 VanDerWaalsContact O-CG1 3.31Å; I132-I136 WeakPolarHBondContact O-CG1 3.48Å; I132-I136 PolarHBondContact O-N 3.09Å
133L96.3Very high94.9Very high19 Ų1967 Ų6710%0.09933%0.328CS..Hα-helixtrans-61.7-43.7174.7-72.9-177000112.5F97 L100 C104 V129 I130 F131 I136 C137F97-L133 HydrophobicContact CD2-CB 4.15Å; F97-L133 HydrophobicContact CE2-CB 4Å; L100-L133 HydrophobicContact CB-CD1 4.17Å; L100-L133 HydrophobicContact CB-CD2 3.79Å; L100-L133 HydrophobicContact CD1-CD2 3.97Å; L100-L133 HydrophobicContact CG-CD2 4.46Å; C104-L133 HydrophobicContact CB-CD1 4.49Å; V129-L133 WeakPolarHBondContact O-CG 3.31Å; V129-L133 PolarHBondContact O-N 3.5Å; I130-L133 PolarHBondContact O-N 2.89Å; F131-L133 VanDerWaalsContact C-N 3.34Å; F131-L133 PolarHBondContact O-N 2.92Å; L133-I136 PolarHBondContact O-N 3.43Å; L133-C137 WeakPolarHBondContact O-CB 3.37Å; L133-C137 PolarHBondContact O-N 2.94Å; L133-C137 PolarHBondContact O-SG 3.14Å
134I97.2Very high95.1Very high73 Ų7362.2 Ų62.237%0.37431%0.31SS..Hα-helixtrans-59-49176.9-68166.6000109.6F97 I130 F131 I136 C137 S138F97-I134 HydrophobicContact CD2-CG1 4.14Å; F97-I134 HydrophobicContact CE2-CD1 4.41Å; F97-I134 HydrophobicContact CE2-CG1 3.46Å; F97-I134 VanDerWaalsContact CE2-CG1 3.46Å; F97-I134 HydrophobicContact CZ-CD1 4.29Å; F97-I134 HydrophobicContact CZ-CG1 3.74Å; I130-I134 HydrophobicContact CG2-CD1 4.13Å; I130-I134 WeakPolarHBondContact O-CG1 3.23Å; I130-I134 PolarHBondContact O-N 3.01Å; F131-I134 PolarHBondContact O-N 3.45Å; I134-I136 PolarHBondContact O-N 3.37Å; I134-C137 PolarHBondContact O-N 3.08Å; I134-S138 WeakPolarHBondContact O-CB 3.42Å; I134-S138 PolarHBondContact O-N 3.21Å; I134-S138 PolarHBondContact O-OG 3.1Å
135L97.2Very high95.3Very high85 Ų8559.3 Ų59.345%0.44530%0.295SS..Hα-helixtrans-59.2-47.9178-68-179.4000112.6F131 I132 C137 S138 I139F131-L135 HydrophobicContact CD1-CD1 4.11Å; F131-L135 HydrophobicContact CE1-CD1 3.57Å; F131-L135 HydrophobicContact CE1-CG 4.28Å; F131-L135 HydrophobicContact CZ-CD1 3.87Å; F131-L135 HydrophobicContact CZ-CD2 4.39Å; F131-L135 HydrophobicContact CZ-CG 4.25Å; F131-L135 PolarHBondContact O-N 3.21Å; I132-L135 PolarHBondContact O-N 3.29Å; L135-C137 PolarHBondContact O-N 3.19Å; L135-S138 PolarHBondContact O-N 2.97Å; L135-I139 WeakPolarHBondContact O-CD1 3.5Å; L135-I139 VanDerWaalsContact O-CG1 3.27Å; L135-I139 WeakPolarHBondContact O-CG1 3.39Å; L135-I139 PolarHBondContact O-N 3.47Å
136I95Very high95.2Very high80 Ų8058 Ų5841%0.4129%0.293SS..Hα-helixtrans-60.3-45.5179.1-69.1167.9000110.9I132 L133 I134 I139 L140I132-I136 HydrophobicContact CG2-CD1 3.71Å; I132-I136 HydrophobicContact CG2-CG1 4.41Å; I132-I136 VanDerWaalsContact O-CG1 3.31Å; I132-I136 WeakPolarHBondContact O-CG1 3.48Å; I132-I136 PolarHBondContact O-N 3.09Å; L133-I136 PolarHBondContact O-N 3.43Å; I134-I136 PolarHBondContact O-N 3.37Å; I136-I139 PolarHBondContact O-N 2.9Å; I136-L140 HydrophobicContact CG2-CD1 4.26Å; I136-L140 WeakPolarHBondContact O-CG 3.33Å; I136-L140 PolarHBondContact O-N 3.45Å
137C95.5Very high95.1Very high0 Ų058.3 Ų58.30%030%0.295CS..Hα-helixtrans-70-36.6-179.2-61.20000112.1T93 F97 L133 I134 L135 I139 L140 G141T93-C137 HydrophobicContact CG2-CB 4.27Å; F97-C137 VanDerWaalsContact CA-SG 3.51Å; F97-C137 HydrophobicContact CB-CB 3.93Å; L133-C137 WeakPolarHBondContact O-CB 3.37Å; L133-C137 PolarHBondContact O-N 2.94Å; L133-C137 PolarHBondContact O-SG 3.14Å; I134-C137 PolarHBondContact O-N 3.08Å; L135-C137 PolarHBondContact O-N 3.19Å; C137-I139 VanDerWaalsContact C-N 3.33Å; C137-I139 PolarHBondContact O-N 3.33Å; C137-L140 PolarHBondContact O-N 3.49Å; C137-G141 PolarHBondContact O-N 3.43Å
138S96.1Very high95Very high39 Ų3953.6 Ų53.627%0.27328%0.275SS..Hα-helixtrans-65.2-34.9173.3-63.10000112.6I134 L135 L142I134-S138 WeakPolarHBondContact O-CB 3.42Å; I134-S138 PolarHBondContact O-N 3.21Å; I134-S138 PolarHBondContact O-OG 3.1Å; L135-S138 PolarHBondContact O-N 2.97Å; S138-L142 VanDerWaalsContact O-CB 3.29Å; S138-L142 WeakPolarHBondContact O-CB 3.43Å; S138-L142 PolarHBondContact O-N 3.07Å
139I94.9Very high94.8Very high108 Ų10851.5 Ų51.555%0.55426%0.262SS*.Hα-helixtrans-66.6-45.9173.7-69.4163.2000110.5L135 I136 C137 G141 L142 S143L135-I139 WeakPolarHBondContact O-CD1 3.5Å; L135-I139 VanDerWaalsContact O-CG1 3.27Å; L135-I139 WeakPolarHBondContact O-CG1 3.39Å; L135-I139 PolarHBondContact O-N 3.47Å; I136-I139 PolarHBondContact O-N 2.9Å; C137-I139 VanDerWaalsContact C-N 3.33Å; C137-I139 PolarHBondContact O-N 3.33Å; I139-G141 PolarHBondContact O-N 2.86Å; I139-L142 PolarHBondContact O-N 2.93Å; I139-S143 PolarHBondContact O-N 3.36Å; I139-S143 PolarHBondContact O-OG 3.35Å; I139-S143 VanDerWaalsContact O-OG 3.11Å
140L93.1Very high94.6Very high37 Ų3750.4 Ų50.419%0.19426%0.255CS..Hα-helixtrans-62-42175.9-68.2172.5000112.3I136 C137 S143 S144 S215I136-L140 HydrophobicContact CG2-CD1 4.26Å; I136-L140 WeakPolarHBondContact O-CG 3.33Å; I136-L140 PolarHBondContact O-N 3.45Å; C137-L140 PolarHBondContact O-N 3.49Å; L140-S143 PolarHBondContact O-N 2.76Å; L140-S144 PolarHBondContact O-N 3.46Å; L140-S215 WeakPolarHBondContact CD2-OG 3.42Å
141G95.3Very high94.1Very high0 Ų054.8 Ų54.80%028%0.275CS..Hα-helixtrans-61-44.6173.100000112.1C137 I139 S143 S144C137-G141 PolarHBondContact O-N 3.43Å; I139-G141 PolarHBondContact O-N 2.86Å; G141-S143 PolarHBondContact O-N 3.31Å; G141-S144 WeakPolarHBondContact O-CB 3.18Å; G141-S144 PolarHBondContact O-N 3.08Å; G141-S144 VanDerWaalsContact O-N 3.15Å; G141-S144 PolarHBondContact O-OG 3.29Å
142L95.3Very high93.5Very high96 Ų9652.6 Ų52.650%0.50327%0.267SS..Hα-helixtrans-63.1-40.8176.7-176.261.6000111.9F89 S138 I139 S144 T145 F146F89-L142 HydrophobicContact CD2-CB 4.35Å; F89-L142 HydrophobicContact CE2-CB 4.25Å; S138-L142 VanDerWaalsContact O-CB 3.29Å; S138-L142 WeakPolarHBondContact O-CB 3.43Å; S138-L142 PolarHBondContact O-N 3.07Å; I139-L142 PolarHBondContact O-N 2.93Å; L142-S144 PolarHBondContact O-N 3.38Å; L142-T145 HydrophobicContact CD1-CG2 4.48Å; L142-T145 WeakPolarHBondContact O-CB 3.34Å; L142-T145 PolarHBondContact O-N 3.2Å; L142-T145 PolarHBondContact O-OG1 3.05Å; L142-F146 WeakPolarHBondContact O-CD2 3.28Å
143S93.4Very high92.5Very high36 Ų3651.1 Ų51.125%0.25226%0.259SS..Hα-helixtrans-57.5-35.1173.6-600000112.7I139 L140 G141 T145 F146I139-S143 PolarHBondContact O-N 3.36Å; I139-S143 PolarHBondContact O-OG 3.35Å; I139-S143 VanDerWaalsContact O-OG 3.11Å; L140-S143 PolarHBondContact O-N 2.76Å; G141-S143 PolarHBondContact O-N 3.31Å; S143-T145 VanDerWaalsContact C-N 3.28Å; S143-T145 PolarHBondContact O-N 2.96Å; S143-F146 PolarHBondContact O-N 3.39Å
144S92.6Very high91.1Very high0 Ų058 Ų580%029%0.291CS..Hα-helixtrans-69.1-19.4176.780.40000114.6Y88 N92 L140 G141 L142 F146 T147Y88-S144 PolarHBondContact O-OG 2.92Å; N92-S144 WeakPolarHBondContact CB-OG 3.35Å; N92-S144 WeakPolarHBondContact ND2-CB 3.29Å; N92-S144 PolarHBondContact ND2-OG 3.31Å; L140-S144 PolarHBondContact O-N 3.46Å; G141-S144 WeakPolarHBondContact O-CB 3.18Å; G141-S144 PolarHBondContact O-N 3.08Å; G141-S144 VanDerWaalsContact O-N 3.15Å; G141-S144 PolarHBondContact O-OG 3.29Å; L142-S144 PolarHBondContact O-N 3.38Å; S144-F146 PolarHBondContact O-N 2.69Å; S144-F146 VanDerWaalsContact O-N 3.15Å; S144-T147 PolarHBondContact O-N 2.94Å; S144-T147 PolarHBondContact O-OG1 3.29Å
145T94.1Very high89.3Confident18 Ų1859.9 Ų59.911%0.1130%0.301CS..THydrogen-bonded Turntrans-68.2-13.2175.170.10000113.2K85 F89 L142 S143K85-T145 HydrophobicContact CB-CG2 4.35Å; K85-T145 VanDerWaalsContact CD-O 3.29Å; K85-T145 WeakPolarHBondContact CD-O 3.4Å; K85-T145 WeakPolarHBondContact CE-O 3.39Å; K85-T145 PolarHBondContact NZ-O 2.85Å; K85-T145 VanDerWaalsContact NZ-O 3.16Å; K85-T145 WeakPolarHBondContact O-CG2 3.48Å; F89-T145 HydrophobicContact CB-CG2 3.73Å; F89-T145 HydrophobicContact CD2-CG2 4.41Å; L142-T145 HydrophobicContact CD1-CG2 4.48Å; L142-T145 WeakPolarHBondContact O-CB 3.34Å; L142-T145 PolarHBondContact O-N 3.2Å; L142-T145 PolarHBondContact O-OG1 3.05Å; S143-T145 VanDerWaalsContact C-N 3.28Å; S143-T145 PolarHBondContact O-N 2.96Å
146F92.5Very high87Confident118 Ų11861.9 Ų61.952%0.51831%0.312SS..THydrogen-bonded Turntrans-97.6-1.6174.1-61.1-86.2000113.1L142 S143 S144 I196 L208L142-F146 WeakPolarHBondContact O-CD2 3.28Å; S143-F146 PolarHBondContact O-N 3.39Å; S144-F146 PolarHBondContact O-N 2.69Å; S144-F146 VanDerWaalsContact O-N 3.15Å; F146-I196 WeakPolarHBondContact O-CD1 3.45Å; F146-L208 HydrophobicContact CB-CD2 3.58Å; F146-L208 HydrophobicContact CG-CD2 4.46Å
147T91.6Very high84.5Confident6 Ų662.6 Ų62.64%0.03732%0.317CS..SBendtrans-98.95.9178.966.50000113S144 I196 L208 V212S144-T147 PolarHBondContact O-N 2.94Å; S144-T147 PolarHBondContact O-OG1 3.29Å; T147-I196 WeakPolarHBondContact O-CG1 3.37Å; T147-I196 PolarHBondContact O-N 2.85Å; T147-L208 HydrophobicContact CG2-CG 4.13Å; T147-V212 HydrophobicContact CG2-CB 4.41Å; T147-V212 HydrophobicContact CG2-CG2 4.06Å
148V92.1Very high82.1Confident0 Ų069.3 Ų69.30%035%0.351CS..EExtended strand (participates in β ladder)trans-137.1148.4-176.5-57.10000112.3K85 Y88 T194K85-V148 WeakPolarHBondContact CE-O 3.4Å; K85-V148 HydrophobicContact CG-CG2 3.92Å; Y88-V148 HydrophobicContact CD1-CG1 3.67Å; Y88-V148 HydrophobicContact CD2-CB 4.38Å; Y88-V148 HydrophobicContact CD2-CG1 3.81Å; Y88-V148 HydrophobicContact CD2-CG2 4.12Å; Y88-V148 HydrophobicContact CE1-CG1 3.57Å; Y88-V148 HydrophobicContact CE2-CB 4.35Å; Y88-V148 HydrophobicContact CE2-CG1 3.68Å; Y88-V148 HydrophobicContact CG-CG1 3.8Å; Y88-V148 HydrophobicContact CG-CG2 4.31Å; V148-T194 WeakPolarHBondContact CA-O 3.46Å
149R91.6Very high79.5Confident82 Ų8273 Ų7331%0.30937%0.368SS..EExtended strand (participates in β ladder)trans-134.4160.8173.1-74.9-171.5-102-107.4-0.6109.7T194 I196 L199 N200 E205R149-T194 PolarHBondContact N-O 2.98Å; R149-T194 PolarHBondContact O-N 2.94Å; R149-I196 HydrophobicContact CB-CG1 4.48Å; R149-I196 HydrophobicContact CG-CD1 4.03Å; R149-I196 HydrophobicContact CG-CG1 3.97Å; R149-L199 HydrophobicContact CB-CD1 3.73Å; R149-L199 HydrophobicContact CG-CD1 4.35Å; R149-N200 PolarHBondContact NH2-O 3.41Å; R149-E205 IonicContact CZ-OE1 3.12Å; R149-E205 VanDerWaalsContact CZ-OE1 3.26Å; R149-E205 IonicContact CZ-OE2 3.04Å; R149-E205 IonicContact NH1-OE1 3.93Å; R149-E205 PolarHBondContact NH1-OE1 3.34Å; R149-E205 IonicContact NH1-OE2 2.78Å; R149-E205 VanDerWaalsContact NH2-CD 3.33Å; R149-E205 IonicContact NH2-OE1 2.66Å; R149-E205 PolarHBondContact NH2-OE1 2.92Å; R149-E205 VanDerWaalsContact NH2-OE1 3.12Å; R149-E205 IonicContact NH2-OE2 3.87Å; R149-E205 PolarHBondContact NH2-OE2 3.42Å
150V91.3Very high77.2Confident32 Ų3273.1 Ų73.119%0.19437%0.368CS..EExtended strand (participates in β ladder)trans-94.9133.6163173.80000107.7I78 C84 F191 E192I78-V150 VanDerWaalsContact O-CG1 3.23Å; I78-V150 WeakPolarHBondContact O-CG1 3.36Å; C84-V150 HydrophobicContact CB-CG2 3.74Å; V150-F191 HydrophobicContact CG1-CB 3.85Å; V150-F191 HydrophobicContact CG1-CD1 4.08Å; V150-F191 HydrophobicContact CG1-CG 4.39Å; V150-E192 WeakPolarHBondContact CA-O 3.45Å
151E87.2Confident74.7Confident101 Ų10177.8 Ų77.847%0.47239%0.394SS..EExtended strand (participates in β ladder)trans-128.5145.5176.6-175.4170.9-108.900110.8F191 E192 L199E151-F191 CarbonylContact O-C 3.49Å; E151-F191 VanDerWaalsContact O-CA 3.31Å; E151-F191 WeakPolarHBondContact O-CA 3.18Å; E151-E192 PolarHBondContact N-O 3.04Å; E151-E192 PolarHBondContact O-N 3.22Å; E151-L199 HydrophobicContact CB-CD2 4.37Å; E151-L199 WeakPolarHBondContact OE2-CD2 3.42Å
152Q84.2Confident72.2Confident83 Ų8384.1 Ų84.139%0.38843%0.428SS..EExtended strand (participates in β ladder)trans-86.3117.9176.4-175.1178.4-1.200110.3Q154 E189 F191Q152-Q154 PolarHBondContact O-N 3.41Å; Q152-E189 PolarHBondContact NE2-OE1 2.9Å; Q152-F191 HydrophobicContact CB-CD1 3.94Å; Q152-F191 HydrophobicContact CB-CE1 3.74Å; Q152-F191 HydrophobicContact CG-CD1 4.38Å; Q152-F191 HydrophobicContact CG-CE1 3.97Å; Q152-F191 HydrophobicContact CG-CZ 4.28Å
153I77.3Confident69.8Low61 Ų6187.4 Ų87.431%0.31344%0.44SS..EExtended strand (participates in β ladder)trans-75.6110.9175.1-60.2166.2000108.6L155 K190 E192I153-L155 HydrophobicContact CG2-CD1 4.2Å; I153-L155 PolarHBondContact O-N 2.87Å; I153-K190 HydrophobicContact CB-CB 4.42Å; I153-K190 HydrophobicContact CD1-CB 4.45Å; I153-K190 HydrophobicContact CD1-CD 3.94Å; I153-K190 HydrophobicContact CD1-CG 4.21Å; I153-K190 PolarHBondContact N-O 3.23Å; I153-E192 HydrophobicContact CD1-CB 3.93Å; I153-E192 HydrophobicContact CG1-CB 4.37Å
154Q65.9Low67.3Low162 Ų16295.8 Ų95.876%0.75747%0.466SS*.  trans-74.2112.1164.7-65.9-172.7-8.200108.8Q152 D156Q152-Q154 PolarHBondContact O-N 3.41Å; Q154-D156 PolarHBondContact O-N 2.88Å; Q154-D156 VanDerWaalsContact O-N 3.15Å
155L59.7Low64.9Low114 Ų114105.1 Ų105.160%0.59751%0.509SS*.  trans-76.796.1166.8-79.487000108.7I153 D157I153-L155 HydrophobicContact CG2-CD1 4.2Å; I153-L155 PolarHBondContact O-N 2.87Å; L155-D157 PolarHBondContact O-N 3.37Å
156D48.3Very low62.3Low126 Ų126107.9 Ų107.967%0.67453%0.529SS*.  trans-49.6132166.2-77.5-36.4000110.3Q154 I158Q154-D156 PolarHBondContact O-N 2.88Å; Q154-D156 VanDerWaalsContact O-N 3.15Å; D156-I158 HydrophobicContact CB-CD1 4.36Å; D156-I158 HydrophobicContact CB-CG1 4.04Å; D156-I158 PolarHBondContact O-N 3.02Å
157D43.1Very low59.9Low95 Ų95109.2 Ų109.251%0.50854%0.542SS..  trans-77.560.1-175.6-86.5-47.9000113L155 N159 I160 K187L155-D157 PolarHBondContact O-N 3.37Å; D157-N159 PolarHBondContact O-N 3.35Å; D157-I160 HydrophobicContact CB-CD1 3.97Å; D157-I160 HydrophobicContact CB-CG1 4.28Å; D157-K187 IonicContact OD1-NZ 2.88Å; D157-K187 PolarHBondContact OD1-NZ 3.37Å; D157-K187 IonicContact OD2-NZ 2.71Å; D157-K187 PolarHBondContact OD2-NZ 3.37Å
158I45.5Very low57.4Low142 Ų142116.3 Ų116.373%0.72858%0.578SS**THydrogen-bonded Turntrans-7265.7174.9-49.2176.4000110.2D156D156-I158 HydrophobicContact CB-CD1 4.36Å; D156-I158 HydrophobicContact CB-CG1 4.04Å; D156-I158 PolarHBondContact O-N 3.02Å
159N41.1Very low54.9Low117 Ų117122.2 Ų122.263%0.62661%0.614SS**THydrogen-bonded Turntrans-176.9-13.6146.1-102-44.1000115.3D157 N161 N162D157-N159 PolarHBondContact O-N 3.35Å; N159-N161 PolarHBondContact O-N 2.94Å; N159-N162 PolarHBondContact O-N 3.44Å; N159-N162 VanDerWaalsContact O-N 3.15Å
160I46.1Very low52.4Low109 Ų109128.6 Ų128.656%0.55964%0.638SS**G310 helixtrans-60.9-27-167.9-64.1-176.8000113.4D157 N162D157-I160 HydrophobicContact CB-CD1 3.97Å; D157-I160 HydrophobicContact CB-CG1 4.28Å; I160-N162 PolarHBondContact O-N 3.46Å
161N41Very low49.9Very low136 Ų136133.3 Ų133.373%0.72766%0.662SS**G310 helixtrans-75.2-15.4-178.7-71.9-25.3000115.2N159 H163N159-N161 PolarHBondContact O-N 2.94Å; N161-H163 PolarHBondContact O-N 2.95Å
162N41.9Very low47.6Very low133 Ų133138.5 Ų138.571%0.71168%0.679SS**G310 helixtrans-82.5-7.9-174.9-79.7-19.7000115.2N159 I160N159-N162 PolarHBondContact O-N 3.44Å; N159-N162 VanDerWaalsContact O-N 3.15Å; I160-N162 PolarHBondContact O-N 3.46Å
163H45.2Very low45.6Very low164 Ų164140.9 Ų140.976%0.75969%0.694SS**G310 helixtrans-1082.8-179.8-92.1-64.9000115.2N161 H165N161-H163 PolarHBondContact O-N 2.95Å; H163-H165 VanDerWaalsContact C-N 3.31Å; H163-H165 PolarHBondContact O-N 3.33Å
164R40.8Very low43.7Very low213 Ų213145.7 Ų145.780%0.80472%0.72SS**THydrogen-bonded Turntrans-86.912.5-170.9-129.5175.8-169.7168.63.8115.8
165H42.7Very low42.4Very low195 Ų195143.8 Ų143.890%0.90372%0.72SS**THydrogen-bonded Turntrans-125.118-169-126.9-66.8000116H163H163-H165 VanDerWaalsContact C-N 3.31Å; H163-H165 PolarHBondContact O-N 3.33Å
166S40.2Very low41.2Very low76 Ų76144.9 Ų144.953%0.53172%0.723SS.*SBendtrans-125.3112.1177.957.90000112.7
167N41.1Very low40.7Very low147 Ų147147 Ų14779%0.78673%0.727SS**  trans57.9115.3158.2-46.5-21.4000116.1
168I39.7Very low40.3Very low155 Ų155148.9 Ų148.980%0.79574%0.736SS**  cis54.476.748.5-43.7-179.9000112.7
169T39.9Very low39.8Very low124 Ų124147.1 Ų147.176%0.76173%0.728SS**  174.6147.8122.328.70000113.4
170R37.4Very low39.5Very low215 Ų215150.6 Ų150.681%0.81173%0.734SS**  trans52.3103.8150.9-69.6176.8174.9149.6-0.7121.1
171D39.4Very low38.9Very low131 Ų131149 Ų14970%0.70173%0.732SS**  55.4158.4114.5-59.7-55.5000123.7
172Y40.2Very low38.6Very low211 Ų211149 Ų14983%0.82773%0.729SS**  trans81.9148.3173.5-48.9-71.7000117.5
173N41.9Very low38.2Very low132 Ų132149 Ų14971%0.70673%0.729SS**  trans7071.5175.4-57.1-20.3000117.9T175N173-T175 PolarHBondContact O-N 3.08Å
174L36.3Very low37.7Very low163 Ų163144.9 Ų144.985%0.85372%0.719SS**THydrogen-bonded Turntrans-67.75.9169.5-171.254.2000114.5
175T38.6Very low37.6Very low122 Ų122144.4 Ų144.475%0.74872%0.719SS**THydrogen-bonded Turntrans-103.7-7.1-17142.30000115.5N173N173-T175 PolarHBondContact O-N 3.08Å
176M34.7Very low37.3Very low136 Ų136144.3 Ų144.367%0.6771%0.712SS**SBendtrans-102.515179.3-90.8-141.372.500114.9
177K37.2Very low37.5Very low171 Ų171146 Ų14674%0.74371%0.71SS**SBendtrans-104.34.2-171-145.5172.2-177.2176.80116
178L35.9Very low38.1Very low135 Ų135145.4 Ų145.471%0.70771%0.706SS**SBendtrans-94.5-44.9170.1-91.475.3000112.3Y180 S181L178-Y180 PolarHBondContact O-N 2.68Å; L178-Y180 VanDerWaalsContact O-N 3.17Å; L178-S181 PolarHBondContact O-N 3.41Å; L178-S181 PolarHBondContact O-OG 2.84Å
179D34.5Very low39.4Very low105 Ų105143.8 Ų143.856%0.56170%0.696SS**Hα-helixtrans-63.8-28.3-175.7-57-40.3000113.2S181 N183D179-S181 VanDerWaalsContact C-N 3.31Å; D179-S181 PolarHBondContact O-N 2.78Å; D179-N183 PolarHBondContact O-N 3.36Å; D179-N183 VanDerWaalsContact O-N 3.13Å
180Y35Very low41.2Very low190 Ų190140.7 Ų140.775%0.74567%0.671SS**Hα-helixtrans-73.9-16.4178.3-142.4-87.6000113.8L178L178-Y180 PolarHBondContact O-N 2.68Å; L178-Y180 VanDerWaalsContact O-N 3.17Å
181S33.9Very low43.6Very low75 Ų75133 Ų13352%0.52464%0.644SS.*Hα-helixtrans-85.3-36.617367.90000112.1L178 D179 S184L178-S181 PolarHBondContact O-N 3.41Å; L178-S181 PolarHBondContact O-OG 2.84Å; D179-S181 VanDerWaalsContact C-N 3.31Å; D179-S181 PolarHBondContact O-N 2.78Å; S181-S184 PolarHBondContact O-N 3.43Å
182M35Very low45.9Very low136 Ų136129.5 Ų129.567%0.6762%0.623SS**Hα-helixtrans-71.3-41.1176.6-83.2-67.4171.400113S184 Y185M182-S184 PolarHBondContact O-N 3.48Å; M182-Y185 WeakPolarHBondContact O-CB 3.33Å; M182-Y185 PolarHBondContact O-N 3.06Å
183N32.4Very low48.3Very low132 Ų132119.5 Ų119.571%0.70659%0.585SS**THydrogen-bonded Turntrans-66.4-17.6174.7-81-19.3000113.5D179D179-N183 PolarHBondContact O-N 3.36Å; D179-N183 VanDerWaalsContact O-N 3.13Å
184S35.6Very low50.5Low79 Ų79113.7 Ų113.755%0.55255%0.554SS**THydrogen-bonded Turntrans-82.6-12.8171-169.10000113.7S181 M182S181-S184 PolarHBondContact O-N 3.43Å; M182-S184 PolarHBondContact O-N 3.48Å
185Y37.4Very low52.9Low203 Ų203108.6 Ų108.680%0.79653%0.526SS*.THydrogen-bonded Turntrans-84.4-17.5178.7-144.8-89.7000112.4M182 K187M182-Y185 WeakPolarHBondContact O-CB 3.33Å; M182-Y185 PolarHBondContact O-N 3.06Å; Y185-K187 VanDerWaalsContact C-N 3.34Å
186Y37.7Very low55.3Low192 Ų192103 Ų10375%0.75349%0.491SS*.THydrogen-bonded Turntrans-95.638.4168.9-91.7-87.1000112.3N188Y186-N188 PolarHBondContact O-N 3Å; Y186-N188 PolarHBondContact O-OD1 3.09Å
187K43Very low57.7Low112 Ų112100.5 Ų100.549%0.48748%0.48SS..  trans-74.872.3170.2-166-171.6-171.7-168.40109.3D157 Y185 E189D157-K187 IonicContact OD1-NZ 2.88Å; D157-K187 PolarHBondContact OD1-NZ 3.37Å; D157-K187 IonicContact OD2-NZ 2.71Å; D157-K187 PolarHBondContact OD2-NZ 3.37Å; Y185-K187 VanDerWaalsContact C-N 3.34Å; K187-E189 PolarHBondContact O-N 3.08Å
188N54.9Low59.8Low134 Ų13499.3 Ų99.372%0.71748%0.475SS*.  trans-22.4108.3-171.4-69.5-21.4000114.9Y186 K190Y186-N188 PolarHBondContact O-N 3Å; Y186-N188 PolarHBondContact O-OD1 3.09Å; N188-K190 PolarHBondContact O-N 2.71Å; N188-K190 VanDerWaalsContact O-N 3.14Å
189E65.7Low62.1Low122 Ų12293.6 Ų93.657%0.5745%0.445SS*.  trans-63.7111.9170.6-59.6-173131.600109Q152 K187 F191Q152-E189 PolarHBondContact NE2-OE1 2.9Å; K187-E189 PolarHBondContact O-N 3.08Å; E189-F191 HydrophobicContact CB-CD2 4.37Å; E189-F191 HydrophobicContact CB-CE2 3.61Å; E189-F191 HydrophobicContact CB-CZ 4.03Å; E189-F191 WeakPolarHBondContact O-CD2 3.28Å
190K78.5Confident64.4Low58 Ų5896.5 Ų96.525%0.25246%0.46SS..EExtended strand (participates in β ladder)trans-87.3126.4176-163.3-176.1178-174.50108.9N77 I153 N188N77-K190 HydrophobicContact CB-CG 4.36Å; N77-K190 WeakPolarHBondContact OD1-CG 3.35Å; I153-K190 HydrophobicContact CB-CB 4.42Å; I153-K190 HydrophobicContact CD1-CB 4.45Å; I153-K190 HydrophobicContact CD1-CD 3.94Å; I153-K190 HydrophobicContact CD1-CG 4.21Å; I153-K190 PolarHBondContact N-O 3.23Å; N188-K190 PolarHBondContact O-N 2.71Å; N188-K190 VanDerWaalsContact O-N 3.14Å
191F87.4Confident66.7Low54 Ų5491.2 Ų91.224%0.23744%0.442CS..EExtended strand (participates in β ladder)trans-112.8122.5179.2-68.8-85.7000109.2N77 I78 D79 V150 E151 Q152 E189N77-F191 CarbonylContact C-O 3.53Å; N77-F191 WeakPolarHBondContact CA-O 3.14Å; N77-F191 PolarHBondContact OD1-N 3.45Å; N77-F191 PolarHBondContact OD1-O 3.23Å; I78-F191 PolarHBondContact N-O 2.98Å; I78-F191 WeakPolarHBondContact O-CB 3.49Å; D79-F191 HydrophobicContact CB-CD2 4.26Å; V150-F191 HydrophobicContact CG1-CB 3.85Å; V150-F191 HydrophobicContact CG1-CD1 4.08Å; V150-F191 HydrophobicContact CG1-CG 4.39Å; E151-F191 CarbonylContact O-C 3.49Å; E151-F191 VanDerWaalsContact O-CA 3.31Å; E151-F191 WeakPolarHBondContact O-CA 3.18Å; Q152-F191 HydrophobicContact CB-CD1 3.94Å; Q152-F191 HydrophobicContact CB-CE1 3.74Å; Q152-F191 HydrophobicContact CG-CD1 4.38Å; Q152-F191 HydrophobicContact CG-CE1 3.97Å; Q152-F191 HydrophobicContact CG-CZ 4.28Å; E189-F191 HydrophobicContact CB-CD2 4.37Å; E189-F191 HydrophobicContact CB-CE2 3.61Å; E189-F191 HydrophobicContact CB-CZ 4.03Å; E189-F191 WeakPolarHBondContact O-CD2 3.28Å
192E87.4Confident69.4Low57 Ų5791.2 Ų91.227%0.26644%0.439SS..EExtended strand (participates in β ladder)trans-103.9136.3177.7-169.1176.2134.500111.2W76 V150 E151 I153 T194W76-E192 HydrophobicContact CB-CG 4.33Å; V150-E192 WeakPolarHBondContact CA-O 3.45Å; E151-E192 PolarHBondContact N-O 3.04Å; E151-E192 PolarHBondContact O-N 3.22Å; I153-E192 HydrophobicContact CD1-CB 3.93Å; I153-E192 HydrophobicContact CG1-CB 4.37Å; E192-T194 WeakPolarHBondContact CB-OG1 3.31Å; E192-T194 WeakPolarHBondContact CG-OG1 3.44Å; E192-T194 PolarHBondContact O-N 3.34Å; E192-T194 PolarHBondContact O-OG1 2.99Å
193C91.4Very high72Confident2 Ų292 Ų921%0.01444%0.444CS..EExtended strand (participates in β ladder)trans-82.593.2169.9176.20000110W76 I78 C84W76-C193 HydrophobicContact CE3-CB 4.31Å; W76-C193 PolarHBondContact O-N 3.45Å; I78-C193 HydrophobicContact CB-CB 4.16Å; I78-C193 HydrophobicContact CD1-CB 3.69Å; I78-C193 HydrophobicContact CG1-CB 4.46Å; C84-C193 WeakPolarHBondContact CA-SG 3.19Å; C84-C193 HydrophobicContact CB-CB 3.72Å; C84-C193 WeakPolarHBondContact CB-SG 3.24Å; C84-C193 WeakPolarHBondContact SG-CB 3.22Å; C84-C193 CovalentContact SG-SG 2.03Å; C84-C193 PolarHBondContact SG-SG 3.39Å
194T88.3Confident74.8Confident10 Ų1092.2 Ų92.26%0.06144%0.443CS..EExtended strand (participates in β ladder)trans-109.1137.9-163-50.50000112.1V148 R149 E192 K198 L199V148-T194 WeakPolarHBondContact CA-O 3.46Å; R149-T194 PolarHBondContact N-O 2.98Å; R149-T194 PolarHBondContact O-N 2.94Å; E192-T194 WeakPolarHBondContact CB-OG1 3.31Å; E192-T194 WeakPolarHBondContact CG-OG1 3.44Å; E192-T194 PolarHBondContact O-N 3.34Å; E192-T194 PolarHBondContact O-OG1 2.99Å; T194-K198 HydrophobicContact CG2-CB 3.82Å; T194-K198 HydrophobicContact CG2-CD 3.58Å; T194-K198 HydrophobicContact CG2-CG 4.32Å; T194-L199 HydrophobicContact CG2-CD2 3.85Å; T194-L199 HydrophobicContact CG2-CG 4.22Å
195E87.2Confident77.3Confident56 Ų5690.3 Ų90.326%0.26243%0.425SS..EExtended strand (participates in β ladder)trans-65.2135.3170.3-63.6-164.4141.800111.3Y88 L197 K198 Y209Y88-E195 HydrophobicContact CE1-CG 4.4Å; E195-L197 PolarHBondContact O-N 3.37Å; E195-K198 WeakPolarHBondContact O-CB 3.41Å; E195-K198 PolarHBondContact O-N 2.98Å; E195-Y209 HydrophobicContact CB-CE2 4.09Å; E195-Y209 HydrophobicContact CG-CE2 4.34Å; E195-Y209 WeakPolarHBondContact OE2-CE2 3.42Å; E195-Y209 PolarHBondContact OE2-OH 2.98Å
196I88.5Confident79.7Confident4 Ų481.8 Ų81.82%0.02140%0.395CS..G310 helixtrans-61.1-24.9-171.3-71.7175.2000113.4F146 T147 R149 K198 L199 H201 E205F146-I196 WeakPolarHBondContact O-CD1 3.45Å; T147-I196 WeakPolarHBondContact O-CG1 3.37Å; T147-I196 PolarHBondContact O-N 2.85Å; R149-I196 HydrophobicContact CB-CG1 4.48Å; R149-I196 HydrophobicContact CG-CD1 4.03Å; R149-I196 HydrophobicContact CG-CG1 3.97Å; I196-K198 PolarHBondContact O-N 3.09Å; I196-L199 HydrophobicContact CG1-CD1 4.48Å; I196-L199 WeakPolarHBondContact O-CB 3.31Å; I196-L199 PolarHBondContact O-N 3.15Å; I196-H201 HydrophobicContact CG2-CB 3.42Å; I196-H201 VanDerWaalsContact CG2-CB 3.42Å; I196-H201 PolarHBondContact O-ND1 3.38Å; I196-E205 HydrophobicContact CG2-CB 3.84Å; I196-E205 HydrophobicContact CG2-CG 4.43Å
197L85.3Confident82.3Confident84 Ų8476.4 Ų76.444%0.4438%0.381SS..G310 helixtrans-62.3-24.8177.2-168.864.9000113.3E195 L199 T206 Y209E195-L197 PolarHBondContact O-N 3.37Å; L197-L199 VanDerWaalsContact C-N 3.34Å; L197-T206 HydrophobicContact CD1-CG2 4.27Å; L197-Y209 HydrophobicContact CB-CE1 4.48Å; L197-Y209 HydrophobicContact CB-CE2 4.42Å; L197-Y209 HydrophobicContact CD2-CD1 4.29Å; L197-Y209 HydrophobicContact CD2-CE1 3.81Å
198K81.6Confident84.5Confident145 Ų14573.3 Ų73.363%0.6337%0.37SS*.G310 helixtrans-81.2-12.6174.8-62.2172.4174.31800113.4T194 E195 I196T194-K198 HydrophobicContact CG2-CB 3.82Å; T194-K198 HydrophobicContact CG2-CD 3.58Å; T194-K198 HydrophobicContact CG2-CG 4.32Å; E195-K198 WeakPolarHBondContact O-CB 3.41Å; E195-K198 PolarHBondContact O-N 2.98Å; I196-K198 PolarHBondContact O-N 3.09Å
199L84.2Confident86.2Confident16 Ų1668 Ų688%0.08434%0.34CS..SBendtrans-104.2170.6-172.9-54.2-179.3000111.1R149 E151 T194 I196 L197 H201R149-L199 HydrophobicContact CB-CD1 3.73Å; R149-L199 HydrophobicContact CG-CD1 4.35Å; E151-L199 HydrophobicContact CB-CD2 4.37Å; E151-L199 WeakPolarHBondContact OE2-CD2 3.42Å; T194-L199 HydrophobicContact CG2-CD2 3.85Å; T194-L199 HydrophobicContact CG2-CG 4.22Å; I196-L199 HydrophobicContact CG1-CD1 4.48Å; I196-L199 WeakPolarHBondContact O-CB 3.31Å; I196-L199 PolarHBondContact O-N 3.15Å; L197-L199 VanDerWaalsContact C-N 3.34Å; L199-H201 PolarHBondContact O-N 2.76Å; L199-H201 PolarHBondContact O-ND1 2.98Å
200N81.3Confident87.3Confident165 Ų16566.1 Ų66.188%0.88233%0.331SS*.SBendtrans-60.9120.9159.4-80.1-39.3000109.1R149R149-N200 PolarHBondContact NH2-O 3.41Å
201H85Confident87.9Confident79 Ų7968.1 Ų68.137%0.36634%0.344SS..  trans-140.7154.1-168.861.9-106.3000113I196 L199 T206I196-H201 HydrophobicContact CG2-CB 3.42Å; I196-H201 VanDerWaalsContact CG2-CB 3.42Å; I196-H201 PolarHBondContact O-ND1 3.38Å; L199-H201 PolarHBondContact O-N 2.76Å; L199-H201 PolarHBondContact O-ND1 2.98Å; H201-T206 PolarHBondContact CD2-OG1 3.08Å; H201-T206 PolarHBondContact NE2-OG1 3.2Å
202T90.3Very high87.9Confident75 Ų7566 Ų6646%0.4634%0.335SS..  trans-87.3154.3175.664.10000111.4I204 E205 T206T202-I204 PolarHBondContact O-N 3.18Å; T202-I204 VanDerWaalsContact O-N 3.12Å; T202-E205 PolarHBondContact N-OE2 3.29Å; T202-E205 PolarHBondContact O-N 3.39Å; T202-E205 VanDerWaalsContact OG1-CD 3.23Å; T202-E205 VanDerWaalsContact OG1-CG 3.26Å; T202-E205 WeakPolarHBondContact OG1-CG 3.24Å; T202-E205 PolarHBondContact OG1-N 2.93Å; T202-E205 PolarHBondContact OG1-OE2 3.44Å; T202-T206 PolarHBondContact O-N 3.31Å; T202-T206 PolarHBondContact O-OG1 3.47Å
203M89.3Confident87.9Confident154 Ų15467 Ų6776%0.75934%0.34SS*.Hα-helixtrans-53.7-32.4174.2-69.6-67.6-70.200113.1V207M203-V207 WeakPolarHBondContact O-CB 3.36Å; M203-V207 VanDerWaalsContact O-CG2 3.29Å; M203-V207 WeakPolarHBondContact O-CG2 3.3Å; M203-V207 PolarHBondContact O-N 3.11Å
204I89.8Confident87.7Confident136 Ų13672.8 Ų72.870%0.69737%0.365SS*.Hα-helixtrans-67.5-42.4178.2-60.9175000110.3T202 V207 L208T202-I204 PolarHBondContact O-N 3.18Å; T202-I204 VanDerWaalsContact O-N 3.12Å; I204-V207 PolarHBondContact O-N 3.43Å; I204-L208 WeakPolarHBondContact O-CB 3.38Å; I204-L208 PolarHBondContact O-N 3.01Å
205E89Confident87.7Confident38 Ų3874.1 Ų74.118%0.17837%0.374CS..Hα-helixtrans-68.5-38.7177.4-67.3162142.700111.7R149 I196 T202 V207 L208 Y209R149-E205 IonicContact CZ-OE1 3.12Å; R149-E205 VanDerWaalsContact CZ-OE1 3.26Å; R149-E205 IonicContact CZ-OE2 3.04Å; R149-E205 IonicContact NH1-OE1 3.93Å; R149-E205 PolarHBondContact NH1-OE1 3.34Å; R149-E205 IonicContact NH1-OE2 2.78Å; R149-E205 VanDerWaalsContact NH2-CD 3.33Å; R149-E205 IonicContact NH2-OE1 2.66Å; R149-E205 PolarHBondContact NH2-OE1 2.92Å; R149-E205 VanDerWaalsContact NH2-OE1 3.12Å; R149-E205 IonicContact NH2-OE2 3.87Å; R149-E205 PolarHBondContact NH2-OE2 3.42Å; I196-E205 HydrophobicContact CG2-CB 3.84Å; I196-E205 HydrophobicContact CG2-CG 4.43Å; T202-E205 PolarHBondContact N-OE2 3.29Å; T202-E205 PolarHBondContact O-N 3.39Å; T202-E205 VanDerWaalsContact OG1-CD 3.23Å; T202-E205 VanDerWaalsContact OG1-CG 3.26Å; T202-E205 WeakPolarHBondContact OG1-CG 3.24Å; T202-E205 PolarHBondContact OG1-N 2.93Å; T202-E205 PolarHBondContact OG1-OE2 3.44Å; E205-V207 PolarHBondContact O-N 2.99Å; E205-L208 PolarHBondContact O-N 2.67Å; E205-Y209 WeakPolarHBondContact O-CB 3.29Å; E205-Y209 PolarHBondContact O-N 3.23Å
206T88.4Confident87.5Confident25 Ų2573.7 Ų73.715%0.15337%0.372CS..Hα-helixtrans-59.7-45.3172.3-38.40000111.4L197 H201 T202 Q210L197-T206 HydrophobicContact CD1-CG2 4.27Å; H201-T206 PolarHBondContact CD2-OG1 3.08Å; H201-T206 PolarHBondContact NE2-OG1 3.2Å; T202-T206 PolarHBondContact O-N 3.31Å; T202-T206 PolarHBondContact O-OG1 3.47Å; T206-Q210 WeakPolarHBondContact O-CB 3.41Å; T206-Q210 WeakPolarHBondContact O-CG 3.15Å; T206-Q210 PolarHBondContact O-N 3.49Å
207V91.3Very high87.4Confident78 Ų7875.5 Ų75.547%0.47338%0.384SS..Hα-helixtrans-64.2-42.5177.81670000110.8M203 I204 E205 Q210 I211M203-V207 WeakPolarHBondContact O-CB 3.36Å; M203-V207 VanDerWaalsContact O-CG2 3.29Å; M203-V207 WeakPolarHBondContact O-CG2 3.3Å; M203-V207 PolarHBondContact O-N 3.11Å; I204-V207 PolarHBondContact O-N 3.43Å; E205-V207 PolarHBondContact O-N 2.99Å; V207-Q210 PolarHBondContact O-N 3.01Å; V207-I211 HydrophobicContact CG1-CD1 3.7Å; V207-I211 HydrophobicContact CG1-CG1 4.44Å; V207-I211 WeakPolarHBondContact O-CB 3.21Å; V207-I211 VanDerWaalsContact O-CG1 3.24Å; V207-I211 WeakPolarHBondContact O-CG1 3.48Å; V207-I211 PolarHBondContact O-N 2.9Å
208L90.2Very high87.6Confident48 Ų4877.9 Ų77.925%0.25139%0.391SS..Hα-helixtrans-65.2-45.6177.9-175.357.6000112.4F146 T147 I204 E205 Q210 I211 V212F146-L208 HydrophobicContact CB-CD2 3.58Å; F146-L208 HydrophobicContact CG-CD2 4.46Å; T147-L208 HydrophobicContact CG2-CG 4.13Å; I204-L208 WeakPolarHBondContact O-CB 3.38Å; I204-L208 PolarHBondContact O-N 3.01Å; E205-L208 PolarHBondContact O-N 2.67Å; L208-Q210 PolarHBondContact O-N 3.48Å; L208-I211 PolarHBondContact O-N 3.07Å; L208-V212 HydrophobicContact CD1-CG2 4.47Å; L208-V212 WeakPolarHBondContact O-CG2 3.36Å; L208-V212 PolarHBondContact O-N 3.25Å
209Y89.4Confident87.9Confident22 Ų2271.5 Ų71.59%0.08637%0.365CS..Hα-helixtrans-55.1-50.4173.3179.7-84.1000110.9E195 L197 E205 I211 V212 Q213E195-Y209 HydrophobicContact CB-CE2 4.09Å; E195-Y209 HydrophobicContact CG-CE2 4.34Å; E195-Y209 WeakPolarHBondContact OE2-CE2 3.42Å; E195-Y209 PolarHBondContact OE2-OH 2.98Å; L197-Y209 HydrophobicContact CB-CE1 4.48Å; L197-Y209 HydrophobicContact CB-CE2 4.42Å; L197-Y209 HydrophobicContact CD2-CD1 4.29Å; L197-Y209 HydrophobicContact CD2-CE1 3.81Å; E205-Y209 WeakPolarHBondContact O-CB 3.29Å; E205-Y209 PolarHBondContact O-N 3.23Å; Y209-I211 VanDerWaalsContact C-N 3.35Å; Y209-I211 PolarHBondContact O-N 3.04Å; Y209-V212 PolarHBondContact O-N 3.46Å; Y209-Q213 WeakPolarHBondContact O-CB 3.48Å; Y209-Q213 PolarHBondContact O-N 2.98Å
210Q90.4Very high88Confident83 Ų8371.2 Ų71.239%0.38836%0.363SS..Hα-helixtrans-61.8-39.2177.3-74.2-171.631.100112.8T206 V207 L208 K214T206-Q210 WeakPolarHBondContact O-CB 3.41Å; T206-Q210 WeakPolarHBondContact O-CG 3.15Å; T206-Q210 PolarHBondContact O-N 3.49Å; V207-Q210 PolarHBondContact O-N 3.01Å; L208-Q210 PolarHBondContact O-N 3.48Å; Q210-K214 HydrophobicContact CB-CD 4.41Å; Q210-K214 WeakPolarHBondContact O-CB 3.45Å; Q210-K214 WeakPolarHBondContact O-CD 3.09Å; Q210-K214 WeakPolarHBondContact O-CG 3.39Å; Q210-K214 PolarHBondContact O-N 3.47Å
211I89.7Confident88.4Confident100 Ų10067.3 Ų67.351%0.51334%0.341SS..Hα-helixtrans-63.4-46.8177.3-74.1166000110.5V207 L208 Y209 S215V207-I211 HydrophobicContact CG1-CD1 3.7Å; V207-I211 HydrophobicContact CG1-CG1 4.44Å; V207-I211 WeakPolarHBondContact O-CB 3.21Å; V207-I211 VanDerWaalsContact O-CG1 3.24Å; V207-I211 WeakPolarHBondContact O-CG1 3.48Å; V207-I211 PolarHBondContact O-N 2.9Å; L208-I211 PolarHBondContact O-N 3.07Å; Y209-I211 VanDerWaalsContact C-N 3.35Å; Y209-I211 PolarHBondContact O-N 3.04Å; I211-S215 WeakPolarHBondContact O-CB 3.41Å; I211-S215 PolarHBondContact O-N 3.05Å
212V88.8Confident88.7Confident10 Ų1067.2 Ų67.26%0.06134%0.343CS..Hα-helixtrans-61.5-53.9178.7172.20000110.7T147 L208 Y209 K214 S215 Q216T147-V212 HydrophobicContact CG2-CB 4.41Å; T147-V212 HydrophobicContact CG2-CG2 4.06Å; L208-V212 HydrophobicContact CD1-CG2 4.47Å; L208-V212 WeakPolarHBondContact O-CG2 3.36Å; L208-V212 PolarHBondContact O-N 3.25Å; Y209-V212 PolarHBondContact O-N 3.46Å; V212-K214 PolarHBondContact O-N 3.48Å; V212-S215 PolarHBondContact O-N 3.47Å; V212-Q216 WeakPolarHBondContact O-CG 3.5Å; V212-Q216 PolarHBondContact O-N 3.45Å
213Q86.1Confident88.8Confident76 Ų7663.7 Ų63.736%0.35532%0.321SS..Hα-helixtrans-65.3-39.8-176.3-163-173.333.600112.6Y209 T217Y209-Q213 WeakPolarHBondContact O-CB 3.48Å; Y209-Q213 PolarHBondContact O-N 2.98Å; Q213-T217 WeakPolarHBondContact O-CB 3.41Å; Q213-T217 PolarHBondContact O-N 3.38Å; Q213-T217 VanDerWaalsContact O-N 3.08Å; Q213-T217 PolarHBondContact O-OG1 3.33Å
214K88.6Confident88.8Confident124 Ų12458.4 Ų58.454%0.53930%0.295SS..Hα-helixtrans-68.9-37.7174.7-69.2169.6-176.6171.10111.7Q210 V212 T217 F218Q210-K214 HydrophobicContact CB-CD 4.41Å; Q210-K214 WeakPolarHBondContact O-CB 3.45Å; Q210-K214 WeakPolarHBondContact O-CD 3.09Å; Q210-K214 WeakPolarHBondContact O-CG 3.39Å; Q210-K214 PolarHBondContact O-N 3.47Å; V212-K214 PolarHBondContact O-N 3.48Å; K214-T217 PolarHBondContact O-N 2.95Å; K214-F218 WeakPolarHBondContact O-CB 3.45Å; K214-F218 PolarHBondContact O-N 3.33Å
215S87Confident89Confident38 Ų3857 Ų5727%0.26629%0.289SS..Hα-helixtrans-62.8-45.3176.6-1750000112L140 I211 V212 F218 S219L140-S215 WeakPolarHBondContact CD2-OG 3.42Å; I211-S215 WeakPolarHBondContact O-CB 3.41Å; I211-S215 PolarHBondContact O-N 3.05Å; V212-S215 PolarHBondContact O-N 3.47Å; S215-F218 PolarHBondContact O-N 3.4Å; S215-S219 WeakPolarHBondContact O-CB 3.36Å; S215-S219 PolarHBondContact O-N 2.98Å
216Q84.5Confident89.2Confident47 Ų4756.2 Ų56.222%0.2229%0.287CS..Hα-helixtrans-60.8-51.5175.3-69.2174.1-0.800111.6N92 V212 F218 S219 Y220N92-Q216 PolarHBondContact OD1-NE2 3.37Å; V212-Q216 WeakPolarHBondContact O-CG 3.5Å; V212-Q216 PolarHBondContact O-N 3.45Å; Q216-F218 VanDerWaalsContact C-N 3.31Å; Q216-F218 PolarHBondContact O-N 2.87Å; Q216-S219 WeakPolarHBondContact O-CB 3.39Å; Q216-S219 PolarHBondContact O-N 2.9Å; Q216-S219 VanDerWaalsContact O-N 3.09Å; Q216-S219 PolarHBondContact O-OG 2.97Å; Q216-Y220 PolarHBondContact O-N 3.2Å
217T85.8Confident89.4Confident42 Ų4255.1 Ų55.126%0.25828%0.28SS..Hα-helixtrans-57-44.4178-62.90000111.4Q213 K214 Y220 I221 M460Q213-T217 WeakPolarHBondContact O-CB 3.41Å; Q213-T217 PolarHBondContact O-N 3.38Å; Q213-T217 VanDerWaalsContact O-N 3.08Å; Q213-T217 PolarHBondContact O-OG1 3.33Å; K214-T217 PolarHBondContact O-N 2.95Å; T217-Y220 PolarHBondContact O-N 3.4Å; T217-I221 HydrophobicContact CG2-CD1 3.84Å; T217-I221 WeakPolarHBondContact O-CG1 3.29Å; T217-I221 PolarHBondContact O-N 3.01Å; T217-M460 HydrophobicContact CG2-CE 3.88Å
218F88.7Confident89.4Confident134 Ų13454.5 Ų54.559%0.58828%0.276SS*.Hα-helixtrans-63-42.9175179.7-99000112.2K214 S215 Q216 Y220 I221 L222K214-F218 WeakPolarHBondContact O-CB 3.45Å; K214-F218 PolarHBondContact O-N 3.33Å; S215-F218 PolarHBondContact O-N 3.4Å; Q216-F218 VanDerWaalsContact C-N 3.31Å; Q216-F218 PolarHBondContact O-N 2.87Å; F218-Y220 VanDerWaalsContact C-N 3.28Å; F218-Y220 PolarHBondContact O-N 3.01Å; F218-I221 PolarHBondContact O-N 3.15Å; F218-L222 HydrophobicContact CE1-CD2 4.05Å; F218-L222 WeakPolarHBondContact O-CB 3.24Å; F218-L222 PolarHBondContact O-N 2.95Å
219S88.1Confident89.6Confident12 Ų1255.9 Ų55.98%0.08429%0.287CS..Hα-helixtrans-60-38.7177.380.80000112.2S215 Q216 C223S215-S219 WeakPolarHBondContact O-CB 3.36Å; S215-S219 PolarHBondContact O-N 2.98Å; Q216-S219 WeakPolarHBondContact O-CB 3.39Å; Q216-S219 PolarHBondContact O-N 2.9Å; Q216-S219 VanDerWaalsContact O-N 3.09Å; Q216-S219 PolarHBondContact O-OG 2.97Å; S219-C223 WeakPolarHBondContact O-CB 3.38Å; S219-C223 PolarHBondContact O-N 2.99Å
220Y86.8Confident89.8Confident10 Ų1055.4 Ų55.44%0.03929%0.286CS..Hα-helixtrans-72.2-44.8178.4179.8-108.4000112.5Q216 T217 F218 L222 C223 I224 Y452 I453 F456 I457 M460Q216-Y220 PolarHBondContact O-N 3.2Å; T217-Y220 PolarHBondContact O-N 3.4Å; F218-Y220 VanDerWaalsContact C-N 3.28Å; F218-Y220 PolarHBondContact O-N 3.01Å; Y220-L222 VanDerWaalsContact C-N 3.35Å; Y220-L222 PolarHBondContact O-N 3.41Å; Y220-C223 WeakPolarHBondContact O-CB 3.12Å; Y220-C223 PolarHBondContact O-N 3.45Å; Y220-I224 HydrophobicContact CD1-CD1 3.92Å; Y220-I224 HydrophobicContact CE1-CD1 3.36Å; Y220-I224 HydrophobicContact CE1-CG1 4.28Å; Y220-I224 HydrophobicContact CE2-CD1 4.4Å; Y220-I224 HydrophobicContact CE2-CG1 4.49Å; Y220-I224 PolarHBondContact O-N 3.14Å; Y220-Y452 AromaticContact CD2-CE1 3.74Å; Y220-Y452 HydrophobicContact CD2-CE1 3.74Å; Y220-Y452 HydrophobicContact CE2-CD1 4.22Å; Y220-Y452 AromaticContact CE2-CE1 3.59Å; Y220-Y452 HydrophobicContact CE2-CE1 3.59Å; Y220-I453 PolarHBondContact OH-O 3.45Å; Y220-F456 AromaticContact CD1-CD1 3.93Å; Y220-F456 HydrophobicContact CD1-CD1 3.93Å; Y220-F456 HydrophobicContact CD1-CE1 4.13Å; Y220-F456 AromaticContact CD2-CD1 3.44Å; Y220-F456 HydrophobicContact CD2-CD1 3.44Å; Y220-F456 VanDerWaalsContact CD2-CD1 3.44Å; Y220-F456 AromaticContact CD2-CE1 3.74Å; Y220-F456 HydrophobicContact CD2-CE1 3.74Å; Y220-F456 HydrophobicContact CD2-CG 4.15Å; Y220-F456 AromaticContact CE1-CD1 3.76Å; Y220-F456 HydrophobicContact CE1-CD1 3.76Å; Y220-F456 HydrophobicContact CE1-CE1 4.41Å; Y220-F456 HydrophobicContact CE2-CB 3.7Å; Y220-F456 AromaticContact CE2-CD1 3.27Å; Y220-F456 HydrophobicContact CE2-CD1 3.27Å; Y220-F456 HydrophobicContact CE2-CE1 4.07Å; Y220-F456 AromaticContact CE2-CG 3.71Å; Y220-F456 HydrophobicContact CE2-CG 3.71Å; Y220-F456 AromaticContact CG-CD1 3.78Å; Y220-F456 HydrophobicContact CG-CD1 3.78Å; Y220-F456 AromaticContact CG-CE1 3.78Å; Y220-F456 HydrophobicContact CG-CE1 3.78Å; Y220-F456 AromaticContact CZ-CD1 3.44Å; Y220-F456 VanDerWaalsContact CZ-CD1 3.44Å; Y220-I457 PolarHBondContact OH-N 2.9Å; Y220-M460 HydrophobicContact CD1-CG 3.89Å; Y220-M460 HydrophobicContact CD1-SD 4.45Å; Y220-M460 HydrophobicContact CE1-CG 3.9Å
221I90.1Very high89.9Confident83 Ų8352 Ų5243%0.42627%0.269SS..Hα-helixtrans-61.6-44174.2-68.1168.5000110.7T217 F218 C223 I224 L225T217-I221 HydrophobicContact CG2-CD1 3.84Å; T217-I221 WeakPolarHBondContact O-CG1 3.29Å; T217-I221 PolarHBondContact O-N 3.01Å; F218-I221 PolarHBondContact O-N 3.15Å; I221-C223 VanDerWaalsContact C-N 3.32Å; I221-C223 PolarHBondContact O-N 3.02Å; I221-I224 PolarHBondContact O-N 3.49Å; I221-L225 HydrophobicContact CG2-CD1 3.87Å; I221-L225 HydrophobicContact CG2-CG 4.38Å; I221-L225 WeakPolarHBondContact O-CG 3.12Å; I221-L225 PolarHBondContact O-N 3.32Å
222L90.2Very high90Very high77 Ų7751 Ų5140%0.40326%0.264SS..Hα-helixtrans-60.6-41.5175.2-179.461.9000111.2F218 Y220 L225 C226F218-L222 HydrophobicContact CE1-CD2 4.05Å; F218-L222 WeakPolarHBondContact O-CB 3.24Å; F218-L222 PolarHBondContact O-N 2.95Å; Y220-L222 VanDerWaalsContact C-N 3.35Å; Y220-L222 PolarHBondContact O-N 3.41Å; L222-L225 PolarHBondContact O-N 3.46Å; L222-C226 WeakPolarHBondContact O-CB 3.45Å; L222-C226 PolarHBondContact O-N 3.48Å
223C91.6Very high90.2Very high0 Ų053.7 Ų53.70%028%0.278CS..Hα-helixtrans-58.2-52.7173.5177.70000111.4S99 S103 S219 Y220 I221 L225 C226 V227S99-C223 PolarHBondContact O-SG 3.3Å; S103-C223 WeakPolarHBondContact OG-CA 3.48Å; S103-C223 PolarHBondContact OG-SG 3.49Å; S219-C223 WeakPolarHBondContact O-CB 3.38Å; S219-C223 PolarHBondContact O-N 2.99Å; Y220-C223 WeakPolarHBondContact O-CB 3.12Å; Y220-C223 PolarHBondContact O-N 3.45Å; I221-C223 VanDerWaalsContact C-N 3.32Å; I221-C223 PolarHBondContact O-N 3.02Å; C223-L225 PolarHBondContact O-N 2.97Å; C223-C226 PolarHBondContact O-N 3.39Å; C223-V227 WeakPolarHBondContact O-CB 3.13Å; C223-V227 WeakPolarHBondContact O-CG2 3.47Å; C223-V227 PolarHBondContact O-N 2.94Å
224I91.1Very high90.4Very high43 Ų4350.5 Ų50.522%0.22126%0.263CS..Hα-helixtrans-53.4-54.6176.8-67.4162.5000111Y220 I221 C226 V227 V228 I453Y220-I224 HydrophobicContact CD1-CD1 3.92Å; Y220-I224 HydrophobicContact CE1-CD1 3.36Å; Y220-I224 HydrophobicContact CE1-CG1 4.28Å; Y220-I224 HydrophobicContact CE2-CD1 4.4Å; Y220-I224 HydrophobicContact CE2-CG1 4.49Å; Y220-I224 PolarHBondContact O-N 3.14Å; I221-I224 PolarHBondContact O-N 3.49Å; I224-C226 VanDerWaalsContact C-N 3.34Å; I224-C226 PolarHBondContact O-N 3.16Å; I224-V227 PolarHBondContact O-N 2.97Å; I224-V228 HydrophobicContact CG2-CG2 4.25Å; I224-V228 VanDerWaalsContact O-CB 3.29Å; I224-V228 WeakPolarHBondContact O-CB 3.12Å; I224-V228 VanDerWaalsContact O-CG2 3.25Å; I224-V228 WeakPolarHBondContact O-CG2 3.39Å; I224-V228 PolarHBondContact O-N 3.01Å; I224-I453 HydrophobicContact CB-CD1 4.48Å; I224-I453 HydrophobicContact CD1-CG2 4.49Å; I224-I453 HydrophobicContact CG1-CD1 4.15Å; I224-I453 HydrophobicContact CG1-CG1 3.94Å; I224-I453 HydrophobicContact CG1-CG2 4.13Å; I224-I453 HydrophobicContact CG2-CD1 4.48Å
225L93Very high90.5Very high108 Ų10852.5 Ų52.557%0.56527%0.269SS*.Hα-helixtrans-62.5-42-175.4-68.5173.5000111.8I221 L222 C223 T229I221-L225 HydrophobicContact CG2-CD1 3.87Å; I221-L225 HydrophobicContact CG2-CG 4.38Å; I221-L225 WeakPolarHBondContact O-CG 3.12Å; I221-L225 PolarHBondContact O-N 3.32Å; L222-L225 PolarHBondContact O-N 3.46Å; C223-L225 PolarHBondContact O-N 2.97Å; L225-T229 WeakPolarHBondContact O-CB 3.46Å; L225-T229 PolarHBondContact O-N 3.44Å; L225-T229 VanDerWaalsContact O-N 3.12Å; L225-T229 PolarHBondContact O-OG1 3.11Å
226C93.4Very high90.7Very high20 Ų2058 Ų5814%0.13528%0.284CS..Hα-helixtrans-63.9-56.8177.6-179.70000111.3F107 L222 C223 I224 V228 T229 L230F107-C226 WeakPolarHBondContact CE2-SG 3.38Å; L222-C226 WeakPolarHBondContact O-CB 3.45Å; L222-C226 PolarHBondContact O-N 3.48Å; C223-C226 PolarHBondContact O-N 3.39Å; I224-C226 VanDerWaalsContact C-N 3.34Å; I224-C226 PolarHBondContact O-N 3.16Å; C226-V228 PolarHBondContact O-N 3.49Å; C226-T229 PolarHBondContact O-N 3.43Å; C226-L230 WeakPolarHBondContact O-CB 3.22Å; C226-L230 VanDerWaalsContact O-CG 3.25Å; C226-L230 WeakPolarHBondContact O-CG 3.47Å; C226-L230 PolarHBondContact O-N 2.97Å; C226-L230 WeakPolarHBondContact SG-CD1 3.45Å
227V92.5Very high90.8Very high2 Ų257.2 Ų57.21%0.01228%0.283CS..Hα-helixtrans-56.5-53.5-179.4164.70000111I102 A106 C223 I224 T229 L230 Y231 A449 I453I102-V227 HydrophobicContact CG2-CG2 3.92Å; A106-V227 HydrophobicContact CB-CG2 4.39Å; C223-V227 WeakPolarHBondContact O-CB 3.13Å; C223-V227 WeakPolarHBondContact O-CG2 3.47Å; C223-V227 PolarHBondContact O-N 2.94Å; I224-V227 PolarHBondContact O-N 2.97Å; V227-T229 PolarHBondContact O-N 3.38Å; V227-L230 PolarHBondContact O-N 2.87Å; V227-Y231 HydrophobicContact CG1-CD2 3.78Å; V227-Y231 HydrophobicContact CG1-CE2 4.03Å; V227-Y231 WeakPolarHBondContact O-CB 3.47Å; V227-Y231 VanDerWaalsContact O-CD2 3.25Å; V227-Y231 WeakPolarHBondContact O-CD2 3.41Å; V227-Y231 PolarHBondContact O-N 3.41Å; V227-A449 HydrophobicContact CG1-CB 3.55Å; V227-I453 HydrophobicContact CG1-CD1 4.06Å
228V92.2Very high90.8Very high65 Ų6557 Ų5739%0.39428%0.282SS..Hα-helixtrans-61.6-45.6-177.81720000110.6I224 C226 I232 I453I224-V228 HydrophobicContact CG2-CG2 4.25Å; I224-V228 VanDerWaalsContact O-CB 3.29Å; I224-V228 WeakPolarHBondContact O-CB 3.12Å; I224-V228 VanDerWaalsContact O-CG2 3.25Å; I224-V228 WeakPolarHBondContact O-CG2 3.39Å; I224-V228 PolarHBondContact O-N 3.01Å; C226-V228 PolarHBondContact O-N 3.49Å; V228-I232 HydrophobicContact CG1-CD1 3.69Å; V228-I232 WeakPolarHBondContact O-CB 3.24Å; V228-I232 WeakPolarHBondContact O-CD1 3.43Å; V228-I232 WeakPolarHBondContact O-CG1 3.27Å; V228-I232 PolarHBondContact O-N 2.84Å; V228-I453 HydrophobicContact CG2-CD1 4.35Å
229T94.1Very high90.7Very high77 Ų7752.9 Ų52.947%0.47227%0.269SS..Hα-helixtrans-62.3-49.1178.1-60.20000111.7L225 C226 V227 I232 L233L225-T229 WeakPolarHBondContact O-CB 3.46Å; L225-T229 PolarHBondContact O-N 3.44Å; L225-T229 VanDerWaalsContact O-N 3.12Å; L225-T229 PolarHBondContact O-OG1 3.11Å; C226-T229 PolarHBondContact O-N 3.43Å; V227-T229 PolarHBondContact O-N 3.38Å; T229-I232 PolarHBondContact O-N 3.39Å; T229-L233 HydrophobicContact CG2-CD1 4.06Å; T229-L233 VanDerWaalsContact O-CG 3.29Å; T229-L233 WeakPolarHBondContact O-CG 3.47Å; T229-L233 PolarHBondContact O-N 2.91Å
230L93.9Very high90.6Very high12 Ų1259.9 Ų59.96%0.06330%0.298CS..Hα-helixtrans-65.8-41.8-177.4-69.9172.6000112.1A106 F107 Y110 C226 V227 L233 I234A106-L230 HydrophobicContact CB-CB 4.18Å; A106-L230 HydrophobicContact CB-CD1 3.8Å; F107-L230 HydrophobicContact CB-CD1 4.31Å; F107-L230 HydrophobicContact CD1-CD1 3.71Å; F107-L230 HydrophobicContact CD1-CD2 4Å; F107-L230 HydrophobicContact CD2-CD1 3.82Å; F107-L230 HydrophobicContact CE1-CD1 3.92Å; F107-L230 HydrophobicContact CE1-CD2 3.98Å; F107-L230 HydrophobicContact CE2-CD1 4.04Å; F107-L230 HydrophobicContact CG-CD1 3.65Å; F107-L230 HydrophobicContact CZ-CD1 4.09Å; Y110-L230 HydrophobicContact CD1-CD2 4.22Å; Y110-L230 HydrophobicContact CD2-CD2 4.28Å; Y110-L230 HydrophobicContact CG-CD2 3.89Å; C226-L230 WeakPolarHBondContact O-CB 3.22Å; C226-L230 VanDerWaalsContact O-CG 3.25Å; C226-L230 WeakPolarHBondContact O-CG 3.47Å; C226-L230 PolarHBondContact O-N 2.97Å; C226-L230 WeakPolarHBondContact SG-CD1 3.45Å; V227-L230 PolarHBondContact O-N 2.87Å; L230-L233 PolarHBondContact O-N 3.44Å; L230-I234 VanDerWaalsContact O-CG1 3.29Å; L230-I234 WeakPolarHBondContact O-CG1 3.48Å; L230-I234 PolarHBondContact O-N 2.97Å
231Y91.3Very high90.4Very high11 Ų1162.6 Ų62.64%0.04332%0.316CS..Hα-helixtrans-71.4-32.2177-76.2-67.6000113.1A106 V227 L233 I234 Y235 A442 L445 F446 A449A106-Y231 HydrophobicContact CB-CD2 4.34Å; A106-Y231 HydrophobicContact CB-CE2 3.8Å; V227-Y231 HydrophobicContact CG1-CD2 3.78Å; V227-Y231 HydrophobicContact CG1-CE2 4.03Å; V227-Y231 WeakPolarHBondContact O-CB 3.47Å; V227-Y231 VanDerWaalsContact O-CD2 3.25Å; V227-Y231 WeakPolarHBondContact O-CD2 3.41Å; V227-Y231 PolarHBondContact O-N 3.41Å; Y231-L233 VanDerWaalsContact C-N 3.34Å; Y231-I234 HydrophobicContact CD1-CD1 3.72Å; Y231-I234 HydrophobicContact CE1-CD1 3.97Å; Y231-I234 HydrophobicContact CG-CD1 4.46Å; Y231-I234 PolarHBondContact O-N 3.44Å; Y231-Y235 WeakPolarHBondContact O-CB 3.37Å; Y231-Y235 PolarHBondContact O-N 3.02Å; Y231-A442 WeakPolarHBondContact CE1-O 3.37Å; Y231-L445 PolarHBondContact OH-O 3.49Å; Y231-F446 HydrophobicContact CD1-CB 3.79Å; Y231-F446 AromaticContact CD1-CD2 3.79Å; Y231-F446 HydrophobicContact CD1-CD2 3.79Å; Y231-F446 AromaticContact CD1-CG 4Å; Y231-F446 HydrophobicContact CD1-CG 4Å; Y231-F446 HydrophobicContact CD2-CB 4.48Å; Y231-F446 AromaticContact CD2-CD2 3.51Å; Y231-F446 HydrophobicContact CD2-CD2 3.51Å; Y231-F446 HydrophobicContact CD2-CE2 4.19Å; Y231-F446 HydrophobicContact CD2-CG 4.4Å; Y231-F446 HydrophobicContact CE1-CB 3.67Å; Y231-F446 HydrophobicContact CE1-CD2 4.36Å; Y231-F446 HydrophobicContact CE1-CG 4.37Å; Y231-F446 HydrophobicContact CE2-CB 4.36Å; Y231-F446 HydrophobicContact CE2-CD2 4.09Å; Y231-F446 HydrophobicContact CG-CB 4.21Å; Y231-F446 AromaticContact CG-CD2 3.33Å; Y231-F446 HydrophobicContact CG-CD2 3.33Å; Y231-F446 AromaticContact CG-CE2 3.92Å; Y231-F446 HydrophobicContact CG-CE2 3.92Å; Y231-F446 HydrophobicContact CG-CG 4.02Å; Y231-F446 PolarHBondContact OH-N 3.3Å; Y231-A449 HydrophobicContact CE2-CB 4.17Å
232I92Very high90Very high79 Ų7962.3 Ų62.341%0.40531%0.312SS..Hα-helixtrans-62.1-41.8167.8-72.9168.5000110.9V228 T229 Y235 R236V228-I232 HydrophobicContact CG1-CD1 3.69Å; V228-I232 WeakPolarHBondContact O-CB 3.24Å; V228-I232 WeakPolarHBondContact O-CD1 3.43Å; V228-I232 WeakPolarHBondContact O-CG1 3.27Å; V228-I232 PolarHBondContact O-N 2.84Å; T229-I232 PolarHBondContact O-N 3.39Å; I232-Y235 PolarHBondContact O-N 2.96Å; I232-R236 HydrophobicContact CG2-CG 4.47Å; I232-R236 WeakPolarHBondContact O-CB 3.45Å; I232-R236 VanDerWaalsContact O-CG 3.28Å; I232-R236 WeakPolarHBondContact O-CG 2.98Å; I232-R236 PolarHBondContact O-N 3.32Å
233L93.2Very high89.7Confident68 Ų6865.1 Ų65.136%0.35632%0.321SS..Hα-helixtrans-67.6-42177-70.5172.5000112.3Y110 T229 L230 Y231 R236 S237Y110-L233 HydrophobicContact CD2-CB 4.09Å; Y110-L233 HydrophobicContact CE2-CB 3.83Å; Y110-L233 HydrophobicContact CE2-CD1 4.27Å; T229-L233 HydrophobicContact CG2-CD1 4.06Å; T229-L233 VanDerWaalsContact O-CG 3.29Å; T229-L233 WeakPolarHBondContact O-CG 3.47Å; T229-L233 PolarHBondContact O-N 2.91Å; L230-L233 PolarHBondContact O-N 3.44Å; Y231-L233 VanDerWaalsContact C-N 3.34Å; L233-R236 PolarHBondContact O-N 2.74Å; L233-S237 VanDerWaalsContact O-CB 3.23Å; L233-S237 WeakPolarHBondContact O-CB 3.28Å; L233-S237 PolarHBondContact O-N 3.35Å
234I90.9Very high89.3Confident8 Ų871.8 Ų71.84%0.04135%0.35CS..Hα-helixtrans-57.6-52172.1-70.4162.5000109.7R109 Y110 L113 L230 Y231 R236 S237 V238R109-I234 HydrophobicContact CB-CD1 4.17Å; Y110-I234 HydrophobicContact CD2-CG1 4.17Å; L113-I234 HydrophobicContact CD1-CG2 3.77Å; L230-I234 VanDerWaalsContact O-CG1 3.29Å; L230-I234 WeakPolarHBondContact O-CG1 3.48Å; L230-I234 PolarHBondContact O-N 2.97Å; Y231-I234 HydrophobicContact CD1-CD1 3.72Å; Y231-I234 HydrophobicContact CE1-CD1 3.97Å; Y231-I234 HydrophobicContact CG-CD1 4.46Å; Y231-I234 PolarHBondContact O-N 3.44Å; I234-R236 PolarHBondContact O-N 3.18Å; I234-S237 PolarHBondContact O-N 3.3Å; I234-V238 HydrophobicContact CG2-CG2 4.15Å; I234-V238 WeakPolarHBondContact O-CB 3.49Å; I234-V238 VanDerWaalsContact O-CG2 3.26Å; I234-V238 WeakPolarHBondContact O-CG2 3.26Å; I234-V238 PolarHBondContact O-N 3.38Å
235Y89.2Confident88.7Confident166 Ų16674.6 Ų74.665%0.65136%0.357SS*.Hα-helixtrans-59.5-45.5179.6179.1-95.2000112.1Y231 I232 S237 S239Y231-Y235 WeakPolarHBondContact O-CB 3.37Å; Y231-Y235 PolarHBondContact O-N 3.02Å; I232-Y235 PolarHBondContact O-N 2.96Å; Y235-S237 PolarHBondContact O-N 2.91Å; Y235-S239 WeakPolarHBondContact O-CB 3.49Å; Y235-S239 PolarHBondContact O-N 2.92Å; Y235-S239 PolarHBondContact O-OG 3.34Å
236R90.9Very high88.1Confident155 Ų15573.1 Ų73.159%0.58535%0.35SS*.Hα-helixtrans-62.1-41.5176.2-76.7174.3170.3-175-2.8112I232 L233 I234 K240I232-R236 HydrophobicContact CG2-CG 4.47Å; I232-R236 WeakPolarHBondContact O-CB 3.45Å; I232-R236 VanDerWaalsContact O-CG 3.28Å; I232-R236 WeakPolarHBondContact O-CG 2.98Å; I232-R236 PolarHBondContact O-N 3.32Å; L233-R236 PolarHBondContact O-N 2.74Å; I234-R236 PolarHBondContact O-N 3.18Å; R236-K240 WeakPolarHBondContact O-CB 3.5Å; R236-K240 VanDerWaalsContact O-CG 3.28Å; R236-K240 WeakPolarHBondContact O-CG 3.34Å; R236-K240 PolarHBondContact O-N 3.27Å
237S88.1Confident87.7Confident30 Ų3076.4 Ų76.421%0.2136%0.363CS..Hα-helixtrans-65.6-52.6178.3-175.30000111.8C114 L233 I234 Y235 S239 K240 V241C114-S237 WeakPolarHBondContact SG-CB 3.42Å; C114-S237 PolarHBondContact SG-OG 2.9Å; C114-S237 VanDerWaalsContact SG-OG 3.41Å; L233-S237 VanDerWaalsContact O-CB 3.23Å; L233-S237 WeakPolarHBondContact O-CB 3.28Å; L233-S237 PolarHBondContact O-N 3.35Å; I234-S237 PolarHBondContact O-N 3.3Å; Y235-S237 PolarHBondContact O-N 2.91Å; S237-S239 VanDerWaalsContact C-N 3.35Å; S237-S239 PolarHBondContact O-N 3.01Å; S237-K240 WeakPolarHBondContact O-CB 3.15Å; S237-K240 PolarHBondContact O-N 3.42Å; S237-V241 WeakPolarHBondContact O-CG2 3.38Å; S237-V241 PolarHBondContact O-N 3.36Å
238V84.7Confident87.1Confident37 Ų3780.7 Ų80.722%0.22439%0.385CS..Hα-helixtrans-60.5-43.6178.8172.40000110.9I234 V241 F242 L439I234-V238 HydrophobicContact CG2-CG2 4.15Å; I234-V238 WeakPolarHBondContact O-CB 3.49Å; I234-V238 VanDerWaalsContact O-CG2 3.26Å; I234-V238 WeakPolarHBondContact O-CG2 3.26Å; I234-V238 PolarHBondContact O-N 3.38Å; V238-V241 PolarHBondContact O-N 2.99Å; V238-F242 WeakPolarHBondContact O-CB 3.34Å; V238-F242 PolarHBondContact O-N 3.17Å; V238-L439 HydrophobicContact CB-CD1 4.45Å; V238-L439 HydrophobicContact CG1-CD1 3.9Å; V238-L439 HydrophobicContact CG1-CD2 3.78Å; V238-L439 HydrophobicContact CG2-CD1 3.88Å
239S86.3Confident86.5Confident47 Ų4783.8 Ų83.833%0.32939%0.394SS..Hα-helixtrans-62.2-42176.2-68.90000112.6Y235 S237 F242 K243Y235-S239 WeakPolarHBondContact O-CB 3.49Å; Y235-S239 PolarHBondContact O-N 2.92Å; Y235-S239 PolarHBondContact O-OG 3.34Å; S237-S239 VanDerWaalsContact C-N 3.35Å; S237-S239 PolarHBondContact O-N 3.01Å; S239-F242 PolarHBondContact O-N 3.27Å; S239-K243 WeakPolarHBondContact O-CB 3.38Å; S239-K243 PolarHBondContact O-N 2.89Å
240K86.6Confident85.7Confident159 Ų15981.8 Ų81.869%0.69139%0.388SS*.Hα-helixtrans-61.6-45.4173-77.2174178.1-1750111.7R236 S237 K243 K244R236-K240 WeakPolarHBondContact O-CB 3.5Å; R236-K240 VanDerWaalsContact O-CG 3.28Å; R236-K240 WeakPolarHBondContact O-CG 3.34Å; R236-K240 PolarHBondContact O-N 3.27Å; S237-K240 WeakPolarHBondContact O-CB 3.15Å; S237-K240 PolarHBondContact O-N 3.42Å; K240-K243 PolarHBondContact O-N 2.88Å; K240-K244 PolarHBondContact O-N 3.22Å
241V82.6Confident84.8Confident67 Ų6785.5 Ų85.541%0.40641%0.407SS..Hα-helixtrans-63.7-42.4177.4171.40000111.3S237 V238 K244 R245S237-V241 WeakPolarHBondContact O-CG2 3.38Å; S237-V241 PolarHBondContact O-N 3.36Å; V238-V241 PolarHBondContact O-N 2.99Å; V241-K244 PolarHBondContact O-N 3.48Å; V241-R245 HydrophobicContact CG1-CG 4.45Å; V241-R245 WeakPolarHBondContact O-CB 3.49Å; V241-R245 VanDerWaalsContact O-CG 3.29Å; V241-R245 WeakPolarHBondContact O-CG 3.44Å; V241-R245 PolarHBondContact O-N 3.04Å
242F81.4Confident83.8Confident77 Ų7792.5 Ų92.534%0.33844%0.438SS..Hα-helixtrans-66-43.3178.7-165.7-103.5000111.7V238 S239 R245 L246 P286V238-F242 WeakPolarHBondContact O-CB 3.34Å; V238-F242 PolarHBondContact O-N 3.17Å; S239-F242 PolarHBondContact O-N 3.27Å; F242-R245 PolarHBondContact O-N 3.02Å; F242-L246 HydrophobicContact CD1-CD1 3.84Å; F242-L246 HydrophobicContact CD1-CG 4.26Å; F242-L246 HydrophobicContact CE1-CD1 3.65Å; F242-L246 HydrophobicContact CE1-CD2 4.41Å; F242-L246 HydrophobicContact CE1-CG 4.08Å; F242-L246 WeakPolarHBondContact O-CG 3.21Å; F242-L246 PolarHBondContact O-N 3.33Å; F242-P286 HydrophobicContact CZ-CG 4.21Å
243K83.9Confident82.9Confident136 Ų13694.3 Ų94.359%0.59144%0.443SS*.Hα-helixtrans-57.2-51.2173.6-168.6-172.2-177.7-154.90111.5S239 K240 R245 L246 E247S239-K243 WeakPolarHBondContact O-CB 3.38Å; S239-K243 PolarHBondContact O-N 2.89Å; K240-K243 PolarHBondContact O-N 2.88Å; K243-R245 VanDerWaalsContact C-N 3.3Å; K243-R245 PolarHBondContact O-N 3.4Å; K243-L246 WeakPolarHBondContact O-CB 3.5Å; K243-L246 PolarHBondContact O-N 3.5Å; K243-E247 WeakPolarHBondContact CE-OE1 3.14Å; K243-E247 WeakPolarHBondContact CG-OE1 3.29Å; K243-E247 IonicContact NZ-OE1 2.59Å; K243-E247 WeakPolarHBondContact O-CG 3.42Å; K243-E247 PolarHBondContact O-N 3.09Å
244K83.8Confident81.9Confident141 Ų14197.7 Ų97.761%0.61346%0.457SS*.Hα-helixtrans-62.4-34.7178-167.6168.4-176.7172.80112.7K240 V241 E247 L248K240-K244 PolarHBondContact O-N 3.22Å; V241-K244 PolarHBondContact O-N 3.48Å; K244-E247 WeakPolarHBondContact CA-OE2 3.35Å; K244-L248 HydrophobicContact CG-CD1 4.29Å; K244-L248 WeakPolarHBondContact O-CB 3.42Å; K244-L248 WeakPolarHBondContact O-CD1 3.14Å; K244-L248 VanDerWaalsContact O-CG 3.26Å; K244-L248 WeakPolarHBondContact O-CG 3.47Å; K244-L248 PolarHBondContact O-N 2.99Å; K244-L248 VanDerWaalsContact O-N 3.08Å
245R79.6Confident80.9Confident101 Ų101101.4 Ų101.438%0.38148%0.48SS..Hα-helixtrans-67-36.2172.4-75178.2-174.7-167.45.7112.6V241 F242 K243 K249V241-R245 HydrophobicContact CG1-CG 4.45Å; V241-R245 WeakPolarHBondContact O-CB 3.49Å; V241-R245 VanDerWaalsContact O-CG 3.29Å; V241-R245 WeakPolarHBondContact O-CG 3.44Å; V241-R245 PolarHBondContact O-N 3.04Å; F242-R245 PolarHBondContact O-N 3.02Å; K243-R245 VanDerWaalsContact C-N 3.3Å; K243-R245 PolarHBondContact O-N 3.4Å; R245-K249 WeakPolarHBondContact O-CG 3.27Å; R245-K249 PolarHBondContact O-N 3.31Å; R245-K249 VanDerWaalsContact O-N 3.14Å
246L80.4Confident80.2Confident77 Ų7799.2 Ų99.240%0.40347%0.474SS..Hα-helixtrans-69.6-45.9174.8-72.8174.4000111.7F242 K243 L248 K249 G250F242-L246 HydrophobicContact CD1-CD1 3.84Å; F242-L246 HydrophobicContact CD1-CG 4.26Å; F242-L246 HydrophobicContact CE1-CD1 3.65Å; F242-L246 HydrophobicContact CE1-CD2 4.41Å; F242-L246 HydrophobicContact CE1-CG 4.08Å; F242-L246 WeakPolarHBondContact O-CG 3.21Å; F242-L246 PolarHBondContact O-N 3.33Å; K243-L246 WeakPolarHBondContact O-CB 3.5Å; K243-L246 PolarHBondContact O-N 3.5Å; L246-L248 PolarHBondContact O-N 3.14Å; L246-K249 PolarHBondContact O-N 2.86Å; L246-K249 VanDerWaalsContact O-N 3.12Å; L246-G250 PolarHBondContact O-N 2.77Å
247E83.7Confident79.4Confident90 Ų9095.4 Ų95.442%0.42147%0.465SS..Hα-helixtrans-56.2-49176.4-70.6162169.600110.8K243 K244 K249 G250 I251K243-E247 WeakPolarHBondContact CE-OE1 3.14Å; K243-E247 WeakPolarHBondContact CG-OE1 3.29Å; K243-E247 IonicContact NZ-OE1 2.59Å; K243-E247 WeakPolarHBondContact O-CG 3.42Å; K243-E247 PolarHBondContact O-N 3.09Å; K244-E247 WeakPolarHBondContact CA-OE2 3.35Å; E247-K249 VanDerWaalsContact C-N 3.34Å; E247-K249 PolarHBondContact O-N 3.26Å; E247-G250 PolarHBondContact O-N 3.05Å; E247-G250 VanDerWaalsContact O-N 3.13Å; E247-I251 WeakPolarHBondContact O-CG1 3.41Å; E247-I251 PolarHBondContact O-N 3.34Å
248L80.4Confident78.8Confident91 Ų9198.9 Ų98.948%0.47648%0.481SS..Hα-helixtrans-64.1-32.2176.2-70.6169.1000113.7K244 L246 K252K244-L248 HydrophobicContact CG-CD1 4.29Å; K244-L248 WeakPolarHBondContact O-CB 3.42Å; K244-L248 WeakPolarHBondContact O-CD1 3.14Å; K244-L248 VanDerWaalsContact O-CG 3.26Å; K244-L248 WeakPolarHBondContact O-CG 3.47Å; K244-L248 PolarHBondContact O-N 2.99Å; K244-L248 VanDerWaalsContact O-N 3.08Å; L246-L248 PolarHBondContact O-N 3.14Å; L248-K252 WeakPolarHBondContact O-CB 3.36Å; L248-K252 WeakPolarHBondContact O-CG 3.48Å; L248-K252 PolarHBondContact O-N 2.98Å; L248-K252 VanDerWaalsContact O-N 3.14Å
249K79.5Confident78.1Confident131 Ų13199.9 Ų99.957%0.5749%0.49SS*.Hα-helixtrans-71.3-36.5172.4-77.6179.9-179.9-174.30111.8R245 L246 E247 K253R245-K249 WeakPolarHBondContact O-CG 3.27Å; R245-K249 PolarHBondContact O-N 3.31Å; R245-K249 VanDerWaalsContact O-N 3.14Å; L246-K249 PolarHBondContact O-N 2.86Å; L246-K249 VanDerWaalsContact O-N 3.12Å; E247-K249 VanDerWaalsContact C-N 3.34Å; E247-K249 PolarHBondContact O-N 3.26Å; K249-K253 PolarHBondContact O-N 2.91Å; K249-K253 VanDerWaalsContact O-N 3.13Å
250G77Confident77.4Confident35 Ų35101.6 Ų101.636%0.36149%0.492SS..Hα-helixtrans-63.5-52.6174.300000112.2L246 E247 K252 K253 Q254L246-G250 PolarHBondContact O-N 2.77Å; E247-G250 PolarHBondContact O-N 3.05Å; E247-G250 VanDerWaalsContact O-N 3.13Å; G250-K252 PolarHBondContact O-N 3.37Å; G250-K253 PolarHBondContact O-N 3.05Å; G250-K253 VanDerWaalsContact O-N 3.12Å; G250-Q254 PolarHBondContact O-N 3.43Å
251I74.5Confident76.6Confident90 Ų9098.2 Ų98.246%0.46248%0.481SS..Hα-helixtrans-56.6-51.1177.4-65.8163.9000110.2E247 K253 Q254 T255E247-I251 WeakPolarHBondContact O-CG1 3.41Å; E247-I251 PolarHBondContact O-N 3.34Å; I251-K253 PolarHBondContact O-N 3.03Å; I251-Q254 WeakPolarHBondContact O-CB 3.39Å; I251-Q254 PolarHBondContact O-N 3.37Å; I251-T255 PolarHBondContact O-N 3Å; I251-T255 PolarHBondContact O-OG1 3.48Å; I251-T255 VanDerWaalsContact O-OG1 3.07Å
252K71.5Confident75.6Confident157 Ų15799 Ų9968%0.68348%0.483SS*.Hα-helixtrans-61.1-30.7179.1-73.6-167.7178.9-136.70113.6L248 G250 K256L248-K252 WeakPolarHBondContact O-CB 3.36Å; L248-K252 WeakPolarHBondContact O-CG 3.48Å; L248-K252 PolarHBondContact O-N 2.98Å; L248-K252 VanDerWaalsContact O-N 3.14Å; G250-K252 PolarHBondContact O-N 3.37Å; K252-K256 WeakPolarHBondContact O-CB 3.18Å; K252-K256 PolarHBondContact O-N 3.37Å
253K72.2Confident74.6Confident117 Ų117102.8 Ų102.851%0.50950%0.499SS..Hα-helixtrans-71-42172.3-169.8173.9-178.7179.30111.5K249 G250 I251 K256 N257K249-K253 PolarHBondContact O-N 2.91Å; K249-K253 VanDerWaalsContact O-N 3.13Å; G250-K253 PolarHBondContact O-N 3.05Å; G250-K253 VanDerWaalsContact O-N 3.12Å; I251-K253 PolarHBondContact O-N 3.03Å; K253-K256 PolarHBondContact O-N 3.24Å; K253-N257 WeakPolarHBondContact O-CB 3.3Å; K253-N257 PolarHBondContact O-N 2.89Å; K253-N257 PolarHBondContact O-OD1 3.12Å
254Q72.7Confident73.3Confident140 Ų140100 Ų10065%0.65449%0.494SS*.Hα-helixtrans-61.8-46.2174.5-71.8175-43.800111.9G250 I251 K256 N257 L258G250-Q254 PolarHBondContact O-N 3.43Å; I251-Q254 WeakPolarHBondContact O-CB 3.39Å; I251-Q254 PolarHBondContact O-N 3.37Å; Q254-K256 PolarHBondContact O-N 3.11Å; Q254-N257 PolarHBondContact O-N 3.28Å; Q254-L258 WeakPolarHBondContact O-CB 3.38Å; Q254-L258 PolarHBondContact O-N 3.35Å
255T70.7Confident71.8Confident86 Ų8697.7 Ų97.753%0.52849%0.488SS..Hα-helixtrans-61.7-42.4176.2-46.20000111.9I251 L258 S259I251-T255 PolarHBondContact O-N 3Å; I251-T255 PolarHBondContact O-OG1 3.48Å; I251-T255 VanDerWaalsContact O-OG1 3.07Å; T255-L258 PolarHBondContact O-N 3.49Å; T255-S259 WeakPolarHBondContact O-CB 3.31Å; T255-S259 PolarHBondContact O-N 3.36Å; T255-S259 PolarHBondContact O-OG 2.9Å
256K73Confident70.4Confident120 Ų12099.2 Ų99.252%0.52250%0.504SS..Hα-helixtrans-62.6-51.5176.6-170.5172.1-170.8-77.30111.2K252 K253 Q254 L258 S259 E260K252-K256 WeakPolarHBondContact O-CB 3.18Å; K252-K256 PolarHBondContact O-N 3.37Å; K253-K256 PolarHBondContact O-N 3.24Å; Q254-K256 PolarHBondContact O-N 3.11Å; K256-L258 VanDerWaalsContact C-N 3.28Å; K256-L258 PolarHBondContact O-N 3.5Å; K256-S259 PolarHBondContact O-N 3.04Å; K256-S259 VanDerWaalsContact O-N 3.13Å; K256-S259 PolarHBondContact O-OG 3.49Å; K256-E260 IonicContact NZ-OE1 3.59Å; K256-E260 PolarHBondContact NZ-OE1 2.86Å; K256-E260 WeakPolarHBondContact O-CG 3.36Å; K256-E260 PolarHBondContact O-N 3.16Å
257N75.4Confident69Low75 Ų75102 Ų10240%0.40152%0.519SS..Hα-helixtrans-55.9-41.1175.9-78.146.2000112.2K253 Q254 E260 I261K253-N257 WeakPolarHBondContact O-CB 3.3Å; K253-N257 PolarHBondContact O-N 2.89Å; K253-N257 PolarHBondContact O-OD1 3.12Å; Q254-N257 PolarHBondContact O-N 3.28Å; N257-E260 PolarHBondContact O-N 3Å; N257-I261 WeakPolarHBondContact O-CD1 3.49Å; N257-I261 VanDerWaalsContact O-CG1 3.27Å; N257-I261 WeakPolarHBondContact O-CG1 3.44Å; N257-I261 PolarHBondContact O-N 3.31Å
258L75Confident67.1Low103 Ų103102.8 Ų102.854%0.53953%0.526SS..Hα-helixtrans-67.8-41.3177.5-170.666.1000111.8Q254 T255 K256 E260 I261 N262Q254-L258 WeakPolarHBondContact O-CB 3.38Å; Q254-L258 PolarHBondContact O-N 3.35Å; T255-L258 PolarHBondContact O-N 3.49Å; K256-L258 VanDerWaalsContact C-N 3.28Å; K256-L258 PolarHBondContact O-N 3.5Å; L258-E260 VanDerWaalsContact C-N 3.28Å; L258-E260 PolarHBondContact O-N 3.28Å; L258-I261 PolarHBondContact O-N 2.86Å; L258-N262 WeakPolarHBondContact O-CB 3.15Å; L258-N262 VanDerWaalsContact O-CG 3.29Å; L258-N262 PolarHBondContact O-N 3.15Å; L258-N262 PolarHBondContact O-OD1 2.91Å
259S69.7Low65.1Low58 Ų58106.2 Ų106.241%0.40655%0.545SS..Hα-helixtrans-66.6-29.5174.971.60000113.2T255 K256 K263T255-S259 WeakPolarHBondContact O-CB 3.31Å; T255-S259 PolarHBondContact O-N 3.36Å; T255-S259 PolarHBondContact O-OG 2.9Å; K256-S259 PolarHBondContact O-N 3.04Å; K256-S259 VanDerWaalsContact O-N 3.13Å; K256-S259 PolarHBondContact O-OG 3.49Å; S259-K263 WeakPolarHBondContact O-CB 3.45Å; S259-K263 VanDerWaalsContact O-CG 3.32Å; S259-K263 WeakPolarHBondContact O-CG 3.11Å; S259-K263 PolarHBondContact O-N 3.47Å; S259-K263 VanDerWaalsContact O-N 3.17Å
260E71Confident62.9Low82 Ų82102.5 Ų102.538%0.38354%0.544SS..Hα-helixtrans-72.9-48.8173.6-73.9169.3165.600110.6K256 N257 L258 N262 K263 T264K256-E260 IonicContact NZ-OE1 3.59Å; K256-E260 PolarHBondContact NZ-OE1 2.86Å; K256-E260 WeakPolarHBondContact O-CG 3.36Å; K256-E260 PolarHBondContact O-N 3.16Å; N257-E260 PolarHBondContact O-N 3Å; L258-E260 VanDerWaalsContact C-N 3.28Å; L258-E260 PolarHBondContact O-N 3.28Å; E260-N262 VanDerWaalsContact C-N 3.33Å; E260-N262 PolarHBondContact O-N 3.23Å; E260-K263 PolarHBondContact O-N 2.7Å; E260-K263 VanDerWaalsContact O-N 3.15Å; E260-T264 PolarHBondContact O-N 3.09Å; E260-T264 PolarHBondContact O-OG1 3.06Å
261I70Confident61Low88 Ų88109.7 Ų109.745%0.45157%0.568SS.*Hα-helixtrans-56.5-45.7174.9-70.4163.5000111.1N257 L258 K263 T264 N265N257-I261 WeakPolarHBondContact O-CD1 3.49Å; N257-I261 VanDerWaalsContact O-CG1 3.27Å; N257-I261 WeakPolarHBondContact O-CG1 3.44Å; N257-I261 PolarHBondContact O-N 3.31Å; L258-I261 PolarHBondContact O-N 2.86Å; I261-K263 VanDerWaalsContact C-N 3.34Å; I261-K263 PolarHBondContact O-N 3.09Å; I261-T264 PolarHBondContact O-N 3.48Å; I261-N265 WeakPolarHBondContact O-CB 3.23Å; I261-N265 VanDerWaalsContact O-CG 3.26Å; I261-N265 PolarHBondContact O-N 3.45Å; I261-N265 PolarHBondContact O-OD1 3.18Å
262N61.9Low59.2Low85 Ų85113 Ų11346%0.45558%0.581SS.*Hα-helixtrans-65.7-36.6179.4-7010.4000112L258 E260 N266L258-N262 WeakPolarHBondContact O-CB 3.15Å; L258-N262 VanDerWaalsContact O-CG 3.29Å; L258-N262 PolarHBondContact O-N 3.15Å; L258-N262 PolarHBondContact O-OD1 2.91Å; E260-N262 VanDerWaalsContact C-N 3.33Å; E260-N262 PolarHBondContact O-N 3.23Å; N262-N266 WeakPolarHBondContact O-CB 3.19Å; N262-N266 PolarHBondContact O-N 3.3Å; N262-N266 PolarHBondContact O-OD1 3.34Å
263K60.8Low57.2Low156 Ų156111.7 Ų111.768%0.67858%0.581SS**Hα-helixtrans-67.9-37.1171.8-77-178.8175.9-167.60112.8S259 E260 I261 N267S259-K263 WeakPolarHBondContact O-CB 3.45Å; S259-K263 VanDerWaalsContact O-CG 3.32Å; S259-K263 WeakPolarHBondContact O-CG 3.11Å; S259-K263 PolarHBondContact O-N 3.47Å; S259-K263 VanDerWaalsContact O-N 3.17Å; E260-K263 PolarHBondContact O-N 2.7Å; E260-K263 VanDerWaalsContact O-N 3.15Å; I261-K263 VanDerWaalsContact C-N 3.34Å; I261-K263 PolarHBondContact O-N 3.09Å; K263-N267 PolarHBondContact O-N 3.05Å; K263-N267 PolarHBondContact O-OD1 3.36Å
264T56.5Low55.4Low77 Ų77116 Ų11647%0.47260%0.6SS.*Hα-helixtrans-70.3-35.9176.3-52.70000111.8E260 I261 N268E260-T264 PolarHBondContact O-N 3.09Å; E260-T264 PolarHBondContact O-OG1 3.06Å; I261-T264 PolarHBondContact O-N 3.48Å; T264-N268 WeakPolarHBondContact O-CB 3.27Å; T264-N268 PolarHBondContact O-N 2.97Å; T264-N268 PolarHBondContact O-ND2 2.65Å
265N51.7Low53.3Low92 Ų92119.4 Ų119.449%0.49261%0.613SS.*Hα-helixtrans-72.1-45.4176.7-69.9-2.4000111.7I261 N267 N268I261-N265 WeakPolarHBondContact O-CB 3.23Å; I261-N265 VanDerWaalsContact O-CG 3.26Å; I261-N265 PolarHBondContact O-N 3.45Å; I261-N265 PolarHBondContact O-OD1 3.18Å; N265-N267 PolarHBondContact O-N 3.33Å; N265-N267 VanDerWaalsContact O-N 3.16Å; N265-N268 CarbonylContact O-C 3.49Å; N265-N268 PolarHBondContact O-N 2.81Å
266N50.5Low51.5Low134 Ų134125 Ų12572%0.71763%0.63SS**Hα-helixtrans-62.7-22.6177.4-75.926.5000113.1N262N262-N266 WeakPolarHBondContact O-CB 3.19Å; N262-N266 PolarHBondContact O-N 3.3Å; N262-N266 PolarHBondContact O-OD1 3.34Å
267N51.1Low49.4Very low136 Ų136128.2 Ų128.273%0.72764%0.644SS**THydrogen-bonded Turntrans-92.8-2.8173.8-73.726.3000113.9K263 N265K263-N267 PolarHBondContact O-N 3.05Å; K263-N267 PolarHBondContact O-OD1 3.36Å; N265-N267 PolarHBondContact O-N 3.33Å; N265-N267 VanDerWaalsContact O-N 3.16Å
268N44Very low47.4Very low106 Ų106132.7 Ų132.757%0.56767%0.666SS**  trans-133.343.4-176-70.2-63.6000113.1T264 N265 G270T264-N268 WeakPolarHBondContact O-CB 3.27Å; T264-N268 PolarHBondContact O-N 2.97Å; T264-N268 PolarHBondContact O-ND2 2.65Å; N265-N268 CarbonylContact O-C 3.49Å; N265-N268 PolarHBondContact O-N 2.81Å; N268-G270 PolarHBondContact O-N 2.94Å
269N38.4Very low45.3Very low162 Ų162134.1 Ų134.187%0.86667%0.674SS**  trans-77.165.4159.7-84.7-10.1000110
270G33.7Very low43.3Very low53 Ų53140.8 Ų140.855%0.54670%0.696SS.*SBendtrans-163.6120.4178.800000110.4N268N268-G270 PolarHBondContact O-N 2.94Å
271H37.3Very low41.4Very low186 Ų186143.7 Ų143.786%0.86171%0.713SS**  trans59.2102.2-177.4-79.4-68.9000119.2
272H35.6Very low39.3Very low161 Ų161145.6 Ų145.675%0.74573%0.729SS**  trans13.3137.4137.1-88.2-72.1000122
273N30.5Very low37.9Very low128 Ų128149.4 Ų149.468%0.68475%0.748SS**  trans6685.6139.4-61.5-10.2000119.1
274K34.9Very low36.4Very low208 Ų208153.3 Ų153.390%0.90476%0.759SS**  trans-157.599.7131.5-103134.9-167.6168.50113.7K276K274-K276 PolarHBondContact O-N 2.95Å
275K28.7Very low35.2Very low212 Ų212153.8 Ų153.892%0.92276%0.758SS**  trans-64120.7158.1-69.3175.1179.5171.80108.8
276K32.5Very low34.3Very low203 Ų203154 Ų15488%0.88377%0.765SS**  trans-153.1140.7157-117.6164.8-171.7178.10113.9K274K274-K276 PolarHBondContact O-N 2.95Å
277K28.7Very low33.4Very low187 Ų187154.9 Ų154.981%0.81376%0.763SS**  trans-64.4141.2-176.3-58.1162.9178.9172.70111.1
278I33.1Very low32.5Very low169 Ų169156 Ų15687%0.86776%0.763SS**  trans-120.5134.3153.9-64.2-176.6000107.9
279N30.9Very low31.9Very low133 Ų133158.4 Ų158.471%0.71178%0.775SS**  trans-92.1168.2-157.9-68.8-41.9000114.5L281N279-L281 PolarHBondContact O-N 3.36Å; N279-L281 VanDerWaalsContact O-N 3.15Å
280K27.9Very low31.3Very low199 Ų199159.1 Ų159.187%0.86577%0.773SS**  trans-41.1116.2164.8-80.1173.9170.31730111.3
281L30.2Very low31.2Very low143 Ų143161.7 Ų161.775%0.74978%0.783SS**  trans-10195.3165.5-159.879.5000109.6N279 L283N279-L281 PolarHBondContact O-N 3.36Å; N279-L281 VanDerWaalsContact O-N 3.15Å; L281-L283 PolarHBondContact O-N 2.98Å
282T27.1Very low30.9Very low128 Ų128162.2 Ų162.279%0.78578%0.782SS**  trans-71.1109.3178.3460000110.9
283L31.5Very low30.4Very low164 Ų164164.1 Ų164.186%0.85979%0.788SS**PPolyproline II helixtrans-88.3125.5173.6-152.973.7000110.6L281L281-L283 PolarHBondContact O-N 2.98Å
284R29.3Very low30.3Very low239 Ų239166.8 Ų166.890%0.90280%0.801SS**PPolyproline II helixtrans-68.4131.1-170.8-160.7175.3-172.91761.5111.4
285N32.2Very low29.8Very low86 Ų86165.5 Ų165.546%0.4680%0.798SS.*PPolyproline II helixtrans-75.6135.9179.2-153.916.2000110.2F287N285-F287 PolarHBondContact O-N 2.84Å
286P31.4Very low29.8Very low98 Ų98165.5 Ų165.564%0.63680%0.798SS**SBendtrans-71.4-9.5-175-20.934.2000115.6F242F242-P286 HydrophobicContact CZ-CG 4.21Å
287F33.4Very low29.5Very low152 Ų152160.7 Ų160.767%0.66779%0.79SS**  trans-119.8103.9178.6-70.1-85.8000109.3N285N285-F287 PolarHBondContact O-N 2.84Å
288H30.7Very low29.4Very low158 Ų158157.7 Ų157.773%0.73179%0.79SS**  trans-144.171169.8-147.2-35.5000110.4
289I32Very low29.1Very low158 Ų158157.3 Ų157.381%0.8179%0.788SS**  trans-61.6147155.9-65.9174.5000107.1S291I289-S291 PolarHBondContact O-N 3.31Å
290Q25.8Very low28.7Very low176 Ų176160.2 Ų160.282%0.82279%0.794SS**  trans-77123.7-175.6-68.2175.6-19.100111.1
291S31Very low28.5Very low108 Ų108160.4 Ų160.476%0.75580%0.795SS**  trans-126.8125.5151.453.40000108.1I289I289-S291 PolarHBondContact O-N 3.31Å
292K30.6Very low28Very low196 Ų196163 Ų16385%0.85280%0.8SS**  trans-82.5142.7178.5-72.8176178.8172.10109.5
293K25Very low27.9Very low202 Ų202164.8 Ų164.888%0.87880%0.804SS**  trans24.7116.3157-62.6-178176.8-176.40118.1
294I28.8Very low27.5Very low183 Ų183161.3 Ų161.394%0.93879%0.793SS**  -149.8152.1127.5-101.9149.8000107.8
295Q24.1Very low27.4Very low182 Ų182157.6 Ų157.685%0.8579%0.791SS**  trans-137.1119.6-157.1172.8-179.2-1200110.9
296K30.1Very low27Very low211 Ų211161.2 Ų161.292%0.91781%0.806SS**  trans-162.9159.6160.6-108.9155.1-172.9-179.20111.8
297S24.7Very low27Very low102 Ų102164.8 Ų164.871%0.71381%0.814SS**PPolyproline II helixtrans-81.4156-159.441.60000115.9
298P27.1Very low26.7Very low125 Ų125163.5 Ų163.581%0.81281%0.814SS**PPolyproline II helixtrans-89.7139.2166.335.1-31.4000112
299I26.3Very low26.5Very low161 Ų161162.4 Ų162.483%0.82681%0.813SS**PPolyproline II helixtrans-91.5143.8170.1-68.4173.5000109.5
300K22.5Very low26.3Very low193 Ų193161.8 Ų161.884%0.83981%0.81SS**PPolyproline II helixtrans-84147.9174.6-63.4174.6-177.9169.20110.4
301F24.2Very low26.4Very low204 Ų204157.5 Ų157.590%0.89580%0.8SS**  trans-129.3148.1143.3-114.7-90.8000109.4
302K20.2Very low26.3Very low196 Ų196160.1 Ų160.185%0.85280%0.8SS**  trans-142.9133.1-177.4-168.9-165.5-175.3-160.70106.2
303L25.2Very low26.3Very low167 Ų167155.7 Ų155.787%0.87479%0.789SS**  trans-134.5146.5167.8-149.371.8000109
304S22.7Very low26.6Very low90 Ų90153.8 Ų153.863%0.62978%0.783SS**  trans-93.9165-177.348.50000111.8
305N27.3Very low26.6Very low161 Ų161152.4 Ų152.486%0.86177%0.773SS**  -159.7174.4110.6-92.63000109.7
306Q24.5Very low26.9Very low163 Ų163150.4 Ų150.476%0.76277%0.767SS**  trans-154.4135.1-151.7164.9-174.7-17.100110.4
307E31.2Very low26.9Very low173 Ų173146.1 Ų146.181%0.80876%0.755SS**  trans-179.5129.8157.2-99.7143.4-155.200106.6
308N27.6Very low27.2Very low125 Ų125147.4 Ų147.467%0.66875%0.75SS**  76.5137.270.8-64.9-11.5000112
309L26.6Very low27.4Very low135 Ų135149.6 Ų149.671%0.70775%0.749SS**  cis-160.7154.72.9-152.373.8000111.3
310L26.5Very low27.6Very low144 Ų144145 Ų14575%0.75474%0.74SS**  trans40.3165.5149-97.463.8000122.3
311S29.2Very low27.9Very low86 Ų86146 Ų14660%0.60174%0.74SS**  cis-171.1149.1-0.235.80000113.1
312H28.4Very low28.3Very low163 Ų163141.8 Ų141.876%0.75573%0.727SS**  trans55156.2145.3-66.4-59.2000120.9
313T31.2Very low28.9Very low104 Ų104138 Ų13864%0.63872%0.716SS**  cis-154.7147.1-0.710.80000107.1
314E29.6Very low29.3Very low161 Ų161136 Ų13675%0.75271%0.707SS**  56.7139.886.9-62.3169.3176.300114.3
315E29.9Very low29.8Very low154 Ų154137.2 Ų137.272%0.7271%0.706SS**  cis-165.316910.7-133.6-173.1170.900113.5
316L29.5Very low30.1Very low140 Ų140135 Ų13573%0.73369%0.694SS**  trans61165.8154.9-61.1165.1000121
317D30.3Very low30.3Very low122 Ų122133.7 Ų133.765%0.65269%0.693SS**  cis-168.9-179.2-48.3-146.47.2000108.2
318Q30.5Very low30.4Very low129 Ų129133.3 Ų133.360%0.60370%0.696SS**  cis-158.3178.4-7-153.9179.8115.400109.5
319H33.1Very low30.3Very low171 Ų171132.1 Ų132.179%0.79270%0.698SS**  trans68.5147166-69.3-70000119.8
320G30.2Very low30.5Very low63 Ų63133.5 Ų133.565%0.64971%0.705SS**  cis171.7152.6-10.600000115.5
321Y28.7Very low30.4Very low214 Ų214133 Ų13384%0.83971%0.709SS**  trans65.8118.9168.7-90.9-124.7000118.2
322N32.3Very low30.4Very low116 Ų116136.5 Ų136.562%0.6272%0.719SS**  75.9145.382.8-74.5-25.1000113.7
323N32.7Very low30.1Very low117 Ų117134.2 Ų134.263%0.62672%0.721SS**  cis-162.3157.522.5-140.6-4.6000112.4
324N32.5Very low30Very low125 Ų125133.9 Ų133.967%0.66872%0.723SS**  trans54.3151.7147.7-68.3-14.3000121.1
325N33.8Very low29.6Very low115 Ų115134.2 Ų134.262%0.61573%0.729SS**  cis-165.2163.916.3-128.8-9.9000113.1
326N33Very low29.4Very low115 Ų115132.1 Ų132.162%0.61573%0.731SS**  trans52.8115.3146.8-65-18.5000121.2
327N29.9Very low29.1Very low136 Ų136134.7 Ų134.773%0.72774%0.736SS**  82.8112.773.2-70.4-16.5000115.3
328N32.1Very low28.8Very low165 Ų165139.2 Ų139.288%0.88275%0.745SS**  -171.8153.3106.5-100.1-23.8000114.3
329S26.4Very low28.4Very low100 Ų100139.7 Ų139.770%0.69975%0.752SS**  trans-84.6159.3176.6-51.70000112.1
330N30.6Very low28.1Very low163 Ų163140.5 Ų140.587%0.87276%0.756SS**  -170.2149.3121.3-97.8-26.3000113.1
331T24.6Very low27.9Very low134 Ų134143.2 Ų143.282%0.82276%0.76SS**  trans-116.7123-177.6-50.10000109.2
332I28.4Very low27.8Very low160 Ų160139.5 Ų139.582%0.82176%0.76SS**  trans-131.4132.4169.6-63.4-177.8000109.3
333S23.5Very low27.4Very low115 Ų115143 Ų14380%0.80477%0.77SS**  trans-119.4112.7-179.456.30000110.9
334S27.9Very low27.1Very low97 Ų97143.2 Ų143.268%0.67878%0.778SS**  trans-149.5108.5172.942.20000113.2
335I22.7Very low26.8Very low168 Ų168145.1 Ų145.186%0.86279%0.787SS**  trans28.2111.5136.7-51.9168.5000117.2
336S25Very low26.4Very low109 Ų109145.6 Ų145.676%0.76279%0.789SS**  trans-147125.4136.149.70000110.9
337K22.2Very low26.1Very low194 Ų194147.6 Ų147.684%0.84379%0.789SS**  trans-85.1134.2166.4-68.8174.5177.7173.90107.6
338Y24.9Very low25.8Very low218 Ų218145.5 Ų145.586%0.85578%0.781SS**  trans-139.5147.3162.2-104.9-83.1000111.3
339N23.2Very low25.5Very low139 Ų139142.8 Ų142.874%0.74377%0.774SS**  trans-84.3126.2-161.2-61.2-36.6000113.1T341N339-T341 PolarHBondContact O-N 3.19Å
340E25.1Very low25.5Very low188 Ų188145.6 Ų145.688%0.87977%0.774SS**  trans-69.6100.2162.9-75.2-163.3123.600110.2
341T26.1Very low25.2Very low119 Ų119144.6 Ų144.673%0.7377%0.769SS**  trans-99.3101.5166.737.80000109.6N339 K343N339-T341 PolarHBondContact O-N 3.19Å; T341-K343 PolarHBondContact O-N 3.03Å
342T26.2Very low25.3Very low136 Ų136144.1 Ų144.183%0.83477%0.766SS**  trans-71.791.5-174.833.30000112.6
343K25.3Very low25.2Very low189 Ų189142.4 Ų142.482%0.82276%0.763SS**  trans-77.2146.3165.1-72-175.9177.6179.20110.9T341T341-K343 PolarHBondContact O-N 3.03Å
344P25.6Very low25.5Very low123 Ų123145.3 Ų145.380%0.79976%0.764SS**  trans-70.1147.5-173.827.9-35.2000113.2L346P344-L346 PolarHBondContact O-N 3.47Å
345L27.3Very low25.6Very low164 Ų164148.8 Ų148.886%0.85977%0.773SS**  trans-73109.1179.7-89.1161.5000111.8Y347L345-Y347 PolarHBondContact O-N 3.42Å
346L24.4Very low25.8Very low125 Ų125149.6 Ų149.665%0.65477%0.771SS**PPolyproline II helixtrans-69.5123.8172.5-172.7137.2000110.5P344 V348 V385P344-L346 PolarHBondContact O-N 3.47Å; L346-V348 HydrophobicContact CD2-CG2 4.49Å; L346-V385 HydrophobicContact CD1-CG2 4.33Å; L346-V385 HydrophobicContact CD2-CG2 4.32Å
347Y26.2Very low25.9Very low158 Ų158151.5 Ų151.562%0.6277%0.773SS**PPolyproline II helixtrans-95.2116.2-170.7-132.6-88.6000112.4L345 I434L345-Y347 PolarHBondContact O-N 3.42Å; Y347-I434 WeakPolarHBondContact OH-CD1 3.43Å; Y347-I434 WeakPolarHBondContact OH-CG1 3.49Å
348V25.2Very low26.3Very low92 Ų92148.5 Ų148.556%0.55877%0.766SS**PPolyproline II helixtrans-87.2118175.1179.80000110L346 F350L346-V348 HydrophobicContact CD2-CG2 4.49Å; V348-F350 HydrophobicContact CG1-CD2 4.04Å; V348-F350 HydrophobicContact CG1-CE2 3.88Å; V348-F350 PolarHBondContact O-N 3.02Å
349S25.2Very low26.5Very low107 Ų107146 Ų14675%0.74877%0.767SS**  trans-81.5108.8170.653.40000110.8N351S349-N351 PolarHBondContact O-N 3.48Å
350F27Very low26.9Very low159 Ų159148.9 Ų148.970%0.69778%0.776SS**  trans-82.9108170.3-87-89.4000111V348 T352V348-F350 HydrophobicContact CG1-CD2 4.04Å; V348-F350 HydrophobicContact CG1-CE2 3.88Å; V348-F350 PolarHBondContact O-N 3.02Å; F350-T352 HydrophobicContact CB-CG2 4.4Å; F350-T352 PolarHBondContact O-N 2.96Å
351N23.1Very low27.2Very low143 Ų143148.2 Ų148.277%0.76577%0.773SS**  trans-72.1116.1155.7-81.7-6.2000107.9S349S349-N351 PolarHBondContact O-N 3.48Å
352T26.8Very low27.5Very low124 Ų124149.5 Ų149.576%0.76177%0.774SS**  trans-102.476.9175.952.80000110.5F350F350-T352 HydrophobicContact CB-CG2 4.4Å; F350-T352 PolarHBondContact O-N 2.96Å
353T27.5Very low27.6Very low124 Ų124150.9 Ų150.976%0.76178%0.776SS**SBendtrans-136.6-12.1178.6-190000114.5
354E28.9Very low27.9Very low175 Ų175150.2 Ų150.282%0.81878%0.776SS**SBendtrans-120.724.1-169.7-67.3175.9134.300114
355I29.1Very low28.3Very low170 Ų170154.1 Ų154.187%0.87278%0.78SS**  trans-118.564.8173.4-48.1-177.5000110
356K27.1Very low28.4Very low185 Ų185153.9 Ų153.980%0.80478%0.779SS**SBendtrans-150.6138.9158.3-86.3-164.3171.3-167.50107
357N28.3Very low28.7Very low150 Ų150154.8 Ų154.880%0.80279%0.785SS**SBendtrans69.6121.2-171.4-47.56.9000111.8
358N29.6Very low29Very low131 Ų131153 Ų15370%0.70180%0.795SS**  trans155.14.3168.6-87.3-2.2000113.2
359N28.7Very low29.4Very low166 Ų166154.6 Ų154.689%0.88881%0.807SS**SBendtrans-94.39.2-177.5-8122.3000114.8
360E33Very low29.7Very low199 Ų199155.4 Ų155.493%0.9381%0.81SS**SBendtrans-125.61.4-169.9-68.5177.4141.600114.5
361E31.7Very low29.9Very low173 Ų173157.1 Ų157.181%0.80882%0.82SS**SBendtrans-127.523.3-166.9-148.3176.1-168.900114.9
362I31.1Very low30.2Very low147 Ų147159.2 Ų159.275%0.75483%0.826SS**  trans-105.73.8-175.6-64.2178.9000113
363N28.2Very low30.3Very low165 Ų165161.8 Ų161.888%0.88283%0.829SS**SBendtrans-104.329.1-176.1-80.8-7.2000114.9
364E32.9Very low30.4Very low175 Ų175161.8 Ų161.882%0.81882%0.824SS**SBendtrans-150.6161.9167.6-125.7171-150.200112
365K34.2Very low30.3Very low205 Ų205160.6 Ų160.689%0.89182%0.819SS**  trans71.356.5-175-57169.9-176.1163.60116.2
366L28.1Very low30.3Very low158 Ų158162.1 Ų162.183%0.82782%0.822SS**  trans-74.3156.9139.6-155.271.7000108.8
367N31.4Very low30.2Very low145 Ų145160.9 Ų160.978%0.77582%0.819SS**  trans81.481.7174.3-49.1-23.5000118.7
368S32.7Very low30.1Very low119 Ų119160.2 Ų160.283%0.83282%0.821SS**  177.2150.1124.554.80000112.5
369P33.4Very low30.1Very low126 Ų126160.6 Ų160.682%0.81882%0.821SS**  trans-91.6166.6-175-3.925.4000115.1
370P32Very low30Very low124 Ų124158.8 Ų158.881%0.80582%0.816SS**  trans-101.7167.6-165.739.4-36.8000116.2
371Q31Very low29.8Very low196 Ų196154.5 Ų154.592%0.91681%0.809SS**  trans-125.3172.4161.7-75.5-172.1-36.300111.3
372Q27.6Very low29.5Very low187 Ų187152.6 Ų152.687%0.87480%0.804SS**  trans-114.6-166.6-160.2-59.8175.6-60.200113.2
373Q29.6Very low29.4Very low177 Ų177150.8 Ų150.883%0.82780%0.802SS**  trans84.9140.8175.9-51.8-159.1-93.500116.1
374D30.4Very low29.5Very low124 Ų124148 Ų14866%0.66379%0.786SS**  cis-152.4-175.7-18.7-125-52.2000113
375Q25.6Very low29.4Very low150 Ų150144.3 Ų144.370%0.70178%0.775SS**  trans-81.8152-166.2-53.2173.53200116.9
376Q30.1Very low29.4Very low203 Ų203140 Ų14095%0.94977%0.766SS**  -156158.9128.8-111.2172.727.300111.8
377Q25.2Very low29.6Very low158 Ų158140.2 Ų140.274%0.73876%0.76SS**  trans-123.5145.6-165.2-59.8179.50.900113.8
378T26.5Very low29.8Very low136 Ų136138.1 Ų138.183%0.83475%0.749SS**  trans-151.487154.3-31.30000114.2
379I28.1Very low29.8Very low140 Ų140139.8 Ų139.872%0.71874%0.742SS**  trans53.3101.3134.7-58.9174.3000119.6
380T27.3Very low29.6Very low127 Ų127142.2 Ų142.278%0.77974%0.736SS**  trans58.6129.3147.9660000120.1
381S29Very low29.6Very low110 Ų110141.1 Ų141.177%0.76972%0.723SS**  cis-164.6130.143.539.20000115.1
382N26.3Very low29.7Very low132 Ų132138.5 Ų138.571%0.70671%0.714SS**  trans20.1108159.2-66.3-10.6000122.7I384N382-I384 HydrophobicContact CB-CD1 4.17Å; N382-I384 HydrophobicContact CB-CG1 4.16Å
383P28.3Very low30.1Very low109 Ų109134.8 Ų134.871%0.70870%0.7SS**  trans-11265148.537.7-29.4000112V385P383-V385 VanDerWaalsContact C-N 3.34Å; P383-V385 PolarHBondContact O-N 2.76Å
384I29.8Very low30.3Very low108 Ų108132.7 Ų132.755%0.55469%0.694SS**THydrogen-bonded Turntrans-70.9-19.4-169-73.3175.3000114.7N382N382-I384 HydrophobicContact CB-CD1 4.17Å; N382-I384 HydrophobicContact CB-CG1 4.16Å
385V32Very low30.4Very low97 Ų97135.2 Ų135.259%0.58870%0.699SS**THydrogen-bonded Turntrans-82.1-27.8-168.4-177.10000113.9L346 P383L346-V385 HydrophobicContact CD1-CG2 4.33Å; L346-V385 HydrophobicContact CD2-CG2 4.32Å; P383-V385 VanDerWaalsContact C-N 3.34Å; P383-V385 PolarHBondContact O-N 2.76Å
386T33.6Very low30.9Very low115 Ų115133.1 Ų133.171%0.70670%0.701SS**SBendtrans-83.8-24.5-169.3-24.70000114.2
387K32.7Very low31Very low161 Ų161130.5 Ų130.570%0.769%0.693SS**Hα-helixtrans-82.6-24.8-170.8-143.9169.8-172.4176.80113.9
388N33.8Very low31.2Very low102 Ų102128.8 Ų128.855%0.54569%0.694SS.*Hα-helixtrans-80.7-23.5-172.8-71-4.4000114.3L392N388-L392 PolarHBondContact O-N 3.16Å
389F33.2Very low31.3Very low154 Ų154131 Ų13168%0.67570%0.695SS**Hα-helixtrans-75.4-37.4-178.4-161.2-100.4000112.7I393F389-I393 HydrophobicContact CD1-CD1 4.43Å; F389-I393 HydrophobicContact CE1-CD1 4.24Å
390Y29.4Very low31.4Very low176 Ų176129.5 Ų129.569%0.6970%0.697SS**Hα-helixtrans-67.8-43.1172.4-97.1-92.4000112L392 I393 N394Y390-L392 PolarHBondContact O-N 2.92Å; Y390-I393 PolarHBondContact O-N 3.29Å; Y390-I393 VanDerWaalsContact O-N 3.1Å; Y390-N394 PolarHBondContact O-N 2.77Å
391N33.4Very low31.7Very low101 Ų101129.2 Ų129.254%0.5469%0.689SS.*Hα-helixtrans-69.4-16.6-178.8-71.82000114
392L31.4Very low31.8Very low141 Ų141131.4 Ų131.474%0.73869%0.691SS**THydrogen-bonded Turntrans-81.3-13.5172.9-102.4158.9000113.9N388 Y390N388-L392 PolarHBondContact O-N 3.16Å; Y390-L392 PolarHBondContact O-N 2.92Å
393I35.8Very low32.1Very low110 Ų110132.4 Ų132.456%0.56470%0.696SS**THydrogen-bonded Turntrans-95.1-28.9178.5-66.6169000111F389 Y390F389-I393 HydrophobicContact CD1-CD1 4.43Å; F389-I393 HydrophobicContact CE1-CD1 4.24Å; Y390-I393 PolarHBondContact O-N 3.29Å; Y390-I393 VanDerWaalsContact O-N 3.1Å
394N35.5Very low32.5Very low133 Ų133132.6 Ų132.671%0.71169%0.688SS**SBendtrans-98.729.4-176.8-69.10.7000113.8Y390Y390-N394 PolarHBondContact O-N 2.77Å
395K32.5Very low32.9Very low176 Ų176131 Ų13177%0.76569%0.687SS**  trans-136.450.4178.9-151.3178.3-175.6-178.90114.6
396S34.7Very low33.4Very low106 Ų106134.4 Ų134.474%0.74170%0.696SS**SBendtrans-112.2116.615757.40000108
397N33.6Very low33.9Very low148 Ų148132.3 Ų132.379%0.79169%0.686SS**  trans-65154.9-172.6-68.52000112.7
398T29.1Very low34.2Very low123 Ų123128.9 Ų128.976%0.75567%0.674SS**  trans-69.7179.3171.235.10000112.9
399E29.1Very low34.4Very low181 Ų181128.2 Ų128.285%0.84667%0.671SS**  trans79.358.8167.6-64.7167.5-138.900117.2
400S29.2Very low35.2Very low110 Ų110126.8 Ų126.877%0.76967%0.666SS**SBendtrans-172.4172.6132.339.60000111
401I34Very low36.2Very low120 Ų120124.1 Ų124.162%0.61566%0.66SS**  trans63.759174.3-36.1-179.1000114.9Q404I401-Q404 HydrophobicContact CG2-CB 3.8Å
402I31.3Very low36.4Very low156 Ų156125.6 Ų125.680%0.866%0.662SS**THydrogen-bonded Turntrans-61.8146140.2-60.6172.9000107
403N32.1Very low37.4Very low154 Ų154123 Ų12382%0.82465%0.649SS**THydrogen-bonded Turntrans8821-176.7-53.3-24.9000119.1
404Q36.9Very low38.4Very low112 Ų112121.9 Ų121.952%0.52364%0.643SS.*  trans-138.922.5167.2-134.41733200115.2I401 H406 L408I401-Q404 HydrophobicContact CG2-CB 3.8Å; Q404-H406 PolarHBondContact O-N 2.98Å; Q404-L408 HydrophobicContact CB-CD1 4.32Å
405S37.4Very low39.6Very low76 Ų76120.1 Ų120.153%0.53163%0.633SS.*Hα-helixtrans-67.3-30.2-166.550.70000116.3N409S405-N409 WeakPolarHBondContact O-CB 3.28Å; S405-N409 PolarHBondContact O-N 3.29Å; S405-N409 PolarHBondContact O-ND2 3.22Å
406H42.6Very low41.1Very low168 Ų168115.2 Ų115.278%0.77861%0.614SS**Hα-helixtrans-76.1-40.8-171.6-113.9-85.4000114.4Q404 H410Q404-H406 PolarHBondContact O-N 2.98Å; H406-H410 PolarHBondContact O-N 3.45Å
407S44Very low42.6Very low71 Ų71114.6 Ų114.650%0.49760%0.602SS.*Hα-helixtrans-73.8-43.7178.752.20000111.8N409 H410 Q411S407-N409 VanDerWaalsContact C-N 3.35Å; S407-N409 PolarHBondContact O-N 3.17Å; S407-H410 PolarHBondContact O-N 2.86Å; S407-Q411 PolarHBondContact O-N 3.05Å
408L39.2Very low44.3Very low88 Ų88111.7 Ų111.746%0.46159%0.587SS.*Hα-helixtrans-60.6-40.6177.8-76.3168.3000112.3Q404 Q411 K412Q404-L408 HydrophobicContact CB-CD1 4.32Å; L408-Q411 PolarHBondContact O-N 3.4Å; L408-K412 VanDerWaalsContact O-CB 3.25Å; L408-K412 WeakPolarHBondContact O-CB 3.38Å; L408-K412 PolarHBondContact O-N 3.34Å
409N38.5Very low46.4Very low89 Ų89109.6 Ų109.648%0.47657%0.571SS.*Hα-helixtrans-63.9-41.4174.5-82.8-24.2000112.4S405 S407 Q411 K412 N413S405-N409 WeakPolarHBondContact O-CB 3.28Å; S405-N409 PolarHBondContact O-N 3.29Å; S405-N409 PolarHBondContact O-ND2 3.22Å; S407-N409 VanDerWaalsContact C-N 3.35Å; S407-N409 PolarHBondContact O-N 3.17Å; N409-Q411 VanDerWaalsContact C-N 3.35Å; N409-Q411 PolarHBondContact O-N 2.86Å; N409-K412 PolarHBondContact O-N 2.88Å; N409-N413 WeakPolarHBondContact O-CB 3.49Å; N409-N413 VanDerWaalsContact O-CG 3.24Å; N409-N413 PolarHBondContact O-N 2.94Å
410H48.8Very low48.5Very low124 Ų124106.7 Ų106.757%0.57456%0.558SS**Hα-helixtrans-65.1-39176.5-162.7-37.1000111.8H406 S407 L414H406-H410 PolarHBondContact O-N 3.45Å; S407-H410 PolarHBondContact O-N 2.86Å; H410-L414 WeakPolarHBondContact ND1-CD1 3.37Å; H410-L414 WeakPolarHBondContact O-CB 3.3Å; H410-L414 VanDerWaalsContact O-CG 3.3Å; H410-L414 WeakPolarHBondContact O-CG 3.38Å; H410-L414 PolarHBondContact O-N 3.46Å
411Q50.8Low50.6Low120 Ų120106.3 Ų106.356%0.56154%0.544SS*.Hα-helixtrans-69.7-40.3177.2-163.6172.18.300111.9S407 L408 N409 L414 I415S407-Q411 PolarHBondContact O-N 3.05Å; L408-Q411 PolarHBondContact O-N 3.4Å; N409-Q411 VanDerWaalsContact C-N 3.35Å; N409-Q411 PolarHBondContact O-N 2.86Å; Q411-L414 PolarHBondContact O-N 3.1Å; Q411-I415 HydrophobicContact CG-CD1 4.4Å; Q411-I415 WeakPolarHBondContact O-CG1 3.28Å; Q411-I415 PolarHBondContact O-N 3.29Å
412K38.1Very low52.5Low132 Ų132106.3 Ų106.357%0.57454%0.539SS*.Hα-helixtrans-61-46.7174.2-171.8173.3-178.6177.80111.6L408 N409 L414 I415 I416L408-K412 VanDerWaalsContact O-CB 3.25Å; L408-K412 WeakPolarHBondContact O-CB 3.38Å; L408-K412 PolarHBondContact O-N 3.34Å; N409-K412 PolarHBondContact O-N 2.88Å; K412-L414 PolarHBondContact O-N 3.11Å; K412-I415 PolarHBondContact O-N 3.47Å; K412-I416 HydrophobicContact CG-CD1 4.14Å; K412-I416 WeakPolarHBondContact O-CG1 3.21Å; K412-I416 PolarHBondContact O-N 3.38Å
413N51.3Low54.6Low87 Ų87104 Ų10447%0.46553%0.528SS..Hα-helixtrans-64.1-39.3176.5-70.5-8.7000112.2N409 I415 I416 N417N409-N413 WeakPolarHBondContact O-CB 3.49Å; N409-N413 VanDerWaalsContact O-CG 3.24Å; N409-N413 PolarHBondContact O-N 2.94Å; N413-I415 VanDerWaalsContact C-N 3.33Å; N413-I415 PolarHBondContact O-N 3.19Å; N413-I416 PolarHBondContact O-N 3.14Å; N413-N417 WeakPolarHBondContact O-CB 3.4Å; N413-N417 PolarHBondContact O-N 3.06Å; N413-N417 PolarHBondContact O-OD1 3.38Å
414L56.9Low56.7Low85 Ų85103.2 Ų103.245%0.44552%0.519SS..Hα-helixtrans-62.2-38.9172.9-76168.4000112.3H410 Q411 K412 N418H410-L414 WeakPolarHBondContact ND1-CD1 3.37Å; H410-L414 WeakPolarHBondContact O-CB 3.3Å; H410-L414 VanDerWaalsContact O-CG 3.3Å; H410-L414 WeakPolarHBondContact O-CG 3.38Å; H410-L414 PolarHBondContact O-N 3.46Å; Q411-L414 PolarHBondContact O-N 3.1Å; K412-L414 PolarHBondContact O-N 3.11Å; L414-N418 VanDerWaalsContact O-CB 3.3Å; L414-N418 WeakPolarHBondContact O-CB 3.43Å; L414-N418 PolarHBondContact O-N 3.17Å; L414-N418 PolarHBondContact O-ND2 3.3Å
415I61.2Low58.6Low96 Ų96105 Ų10549%0.49252%0.521SS..Hα-helixtrans-68.1-43.1177.1-68.9163.4000111Q411 K412 N413 N418 N419Q411-I415 HydrophobicContact CG-CD1 4.4Å; Q411-I415 WeakPolarHBondContact O-CG1 3.28Å; Q411-I415 PolarHBondContact O-N 3.29Å; K412-I415 PolarHBondContact O-N 3.47Å; N413-I415 VanDerWaalsContact C-N 3.33Å; N413-I415 PolarHBondContact O-N 3.19Å; I415-N418 PolarHBondContact O-N 3.44Å; I415-N419 WeakPolarHBondContact O-CB 3.44Å; I415-N419 VanDerWaalsContact O-CG 3.26Å; I415-N419 PolarHBondContact O-N 3.49Å; I415-N419 PolarHBondContact O-ND2 3.19Å
416I64.8Low60.3Low73 Ų73104.3 Ų104.337%0.37452%0.516SS..Hα-helixtrans-59.8-55.6175.9-68.2164.7000110K412 N413 N418 N419 E420K412-I416 HydrophobicContact CG-CD1 4.14Å; K412-I416 WeakPolarHBondContact O-CG1 3.21Å; K412-I416 PolarHBondContact O-N 3.38Å; N413-I416 PolarHBondContact O-N 3.14Å; I416-N418 VanDerWaalsContact C-N 3.3Å; I416-N418 PolarHBondContact O-N 2.97Å; I416-N419 CarbonylContact O-C 3.58Å; I416-N419 WeakPolarHBondContact O-CA 3.48Å; I416-N419 PolarHBondContact O-N 2.94Å; I416-E420 HydrophobicContact CG2-CG 4.42Å; I416-E420 PolarHBondContact O-N 2.93Å
417N66.1Low61.9Low93 Ų93100.4 Ų100.450%0.49750%0.5SS..Hα-helixtrans-58.5-40.3-179-66.3-0.5000112.2N413 N419 E420 E421N413-N417 WeakPolarHBondContact O-CB 3.4Å; N413-N417 PolarHBondContact O-N 3.06Å; N413-N417 PolarHBondContact O-OD1 3.38Å; N417-N419 VanDerWaalsContact C-N 3.31Å; N417-N419 PolarHBondContact O-N 2.88Å; N417-E420 PolarHBondContact O-N 3.31Å; N417-E421 WeakPolarHBondContact O-CB 3.29Å; N417-E421 PolarHBondContact O-N 3.15Å
418N69.4Low63.5Low88 Ų88102.2 Ų102.247%0.47150%0.499SS..Hα-helixtrans-65.3-32.4174.9-86.4-67.1000112.9L414 I415 I416 K422L414-N418 VanDerWaalsContact O-CB 3.3Å; L414-N418 WeakPolarHBondContact O-CB 3.43Å; L414-N418 PolarHBondContact O-N 3.17Å; L414-N418 PolarHBondContact O-ND2 3.3Å; I415-N418 PolarHBondContact O-N 3.44Å; I416-N418 VanDerWaalsContact C-N 3.3Å; I416-N418 PolarHBondContact O-N 2.97Å; N418-K422 WeakPolarHBondContact O-CD 3.26Å; N418-K422 WeakPolarHBondContact O-CG 3.37Å; N418-K422 PolarHBondContact O-N 2.82Å; N418-K422 VanDerWaalsContact O-N 3.1Å
419N73.2Confident65.2Low78 Ų78101.6 Ų101.642%0.41750%0.499SS..Hα-helixtrans-80-36.1178-71.7-18.6000112.1I415 I416 N417 K422 L423I415-N419 WeakPolarHBondContact O-CB 3.44Å; I415-N419 VanDerWaalsContact O-CG 3.26Å; I415-N419 PolarHBondContact O-N 3.49Å; I415-N419 PolarHBondContact O-ND2 3.19Å; I416-N419 CarbonylContact O-C 3.58Å; I416-N419 WeakPolarHBondContact O-CA 3.48Å; I416-N419 PolarHBondContact O-N 2.94Å; N417-N419 VanDerWaalsContact C-N 3.31Å; N417-N419 PolarHBondContact O-N 2.88Å; N419-K422 PolarHBondContact O-N 3.23Å; N419-K422 PolarHBondContact OD1-NZ 3.03Å; N419-K422 VanDerWaalsContact OD1-NZ 3.12Å; N419-L423 WeakPolarHBondContact O-CB 3.27Å; N419-L423 PolarHBondContact O-N 2.65Å
420E72.2Confident66.9Low121 Ų121101.4 Ų101.457%0.56550%0.497SS*.Hα-helixtrans-63.1-43.4168.9-68.9-167.3162.600111.8I416 N417 K422 L423 H424I416-E420 HydrophobicContact CG2-CG 4.42Å; I416-E420 PolarHBondContact O-N 2.93Å; N417-E420 PolarHBondContact O-N 3.31Å; E420-K422 PolarHBondContact O-N 3.12Å; E420-L423 PolarHBondContact O-N 2.66Å; E420-H424 WeakPolarHBondContact O-CB 3.29Å; E420-H424 PolarHBondContact O-N 2.85Å
421E74.7Confident68.2Low102 Ų102101.4 Ų101.448%0.47750%0.495SS..Hα-helixtrans-58.3-46172.8-91.3-125.7-12600111.8N417 R425N417-E421 WeakPolarHBondContact O-CB 3.29Å; N417-E421 PolarHBondContact O-N 3.15Å; E421-R425 VanDerWaalsContact O-CB 3.27Å; E421-R425 WeakPolarHBondContact O-CB 3.14Å; E421-R425 VanDerWaalsContact O-CD 3.26Å; E421-R425 WeakPolarHBondContact O-CD 3.42Å; E421-R425 WeakPolarHBondContact O-CG 3.01Å; E421-R425 PolarHBondContact O-N 2.68Å; E421-R425 IonicContact OE1-NH2 2.69Å; E421-R425 IonicContact OE2-CZ 3.53Å; E421-R425 IonicContact OE2-NE 2.64Å; E421-R425 PolarHBondContact OE2-NE 3.06Å; E421-R425 IonicContact OE2-NH2 3.77Å; E421-R425 PolarHBondContact OE2-NH2 3.28Å
422K73.4Confident69.3Low120 Ų12098.7 Ų98.752%0.52248%0.483SS..Hα-helixtrans-60.6-46174.2-72.7165-164.8165.40111.4N418 N419 E420 R425 S426N418-K422 WeakPolarHBondContact O-CD 3.26Å; N418-K422 WeakPolarHBondContact O-CG 3.37Å; N418-K422 PolarHBondContact O-N 2.82Å; N418-K422 VanDerWaalsContact O-N 3.1Å; N419-K422 PolarHBondContact O-N 3.23Å; N419-K422 PolarHBondContact OD1-NZ 3.03Å; N419-K422 VanDerWaalsContact OD1-NZ 3.12Å; E420-K422 PolarHBondContact O-N 3.12Å; K422-R425 PolarHBondContact O-N 2.9Å; K422-S426 WeakPolarHBondContact O-CB 3.37Å; K422-S426 PolarHBondContact O-N 3.04Å; K422-S426 PolarHBondContact O-OG 2.89Å; K422-S426 VanDerWaalsContact O-OG 3.12Å
423L75.9Confident71.1Confident108 Ų10897 Ų9757%0.56548%0.48SS*.Hα-helixtrans-61.8-48.5179.5179.160.2000111.4N419 E420 R425 S426 I427N419-L423 WeakPolarHBondContact O-CB 3.27Å; N419-L423 PolarHBondContact O-N 2.65Å; E420-L423 PolarHBondContact O-N 2.66Å; L423-R425 VanDerWaalsContact C-N 3.34Å; L423-R425 PolarHBondContact O-N 2.91Å; L423-S426 PolarHBondContact O-N 3.34Å; L423-S426 VanDerWaalsContact O-N 3.16Å; L423-I427 HydrophobicContact CD1-CD1 3.9Å; L423-I427 HydrophobicContact CD1-CG1 4.17Å; L423-I427 HydrophobicContact CG-CD1 3.84Å; L423-I427 HydrophobicContact CG-CG1 4.48Å; L423-I427 WeakPolarHBondContact O-CG1 3.47Å; L423-I427 PolarHBondContact O-N 3.42Å
424H76Confident72.1Confident136 Ų13695.3 Ų95.363%0.6347%0.47SS*.Hα-helixtrans-65.9-35.2178.1-170.6-62.2000111.8E420 K428E420-H424 WeakPolarHBondContact O-CB 3.29Å; E420-H424 PolarHBondContact O-N 2.85Å; H424-K428 WeakPolarHBondContact O-CB 3.45Å; H424-K428 PolarHBondContact O-N 3.45Å
425R77Confident72.9Confident151 Ų15193.5 Ų93.557%0.5746%0.463SS*.Hα-helixtrans-63.2-43.6171-71.5163.4-171.6-153.18.2110.9E421 K422 L423 K428 T429E421-R425 VanDerWaalsContact O-CB 3.27Å; E421-R425 WeakPolarHBondContact O-CB 3.14Å; E421-R425 VanDerWaalsContact O-CD 3.26Å; E421-R425 WeakPolarHBondContact O-CD 3.42Å; E421-R425 WeakPolarHBondContact O-CG 3.01Å; E421-R425 PolarHBondContact O-N 2.68Å; E421-R425 IonicContact OE1-NH2 2.69Å; E421-R425 IonicContact OE2-CZ 3.53Å; E421-R425 IonicContact OE2-NE 2.64Å; E421-R425 PolarHBondContact OE2-NE 3.06Å; E421-R425 IonicContact OE2-NH2 3.77Å; E421-R425 PolarHBondContact OE2-NH2 3.28Å; K422-R425 PolarHBondContact O-N 2.9Å; L423-R425 VanDerWaalsContact C-N 3.34Å; L423-R425 PolarHBondContact O-N 2.91Å; R425-K428 PolarHBondContact O-N 2.93Å; R425-T429 PolarHBondContact O-N 2.81Å; R425-T429 PolarHBondContact O-OG1 3.37Å
426S72.9Confident73.7Confident61 Ų6194.3 Ų94.343%0.42746%0.463SS..Hα-helixtrans-68.9-45.2178.2-66.60000113.7K422 L423 K428 T429 I430K422-S426 WeakPolarHBondContact O-CB 3.37Å; K422-S426 PolarHBondContact O-N 3.04Å; K422-S426 PolarHBondContact O-OG 2.89Å; K422-S426 VanDerWaalsContact O-OG 3.12Å; L423-S426 PolarHBondContact O-N 3.34Å; L423-S426 VanDerWaalsContact O-N 3.16Å; S426-K428 PolarHBondContact O-N 3.44Å; S426-T429 WeakPolarHBondContact CA-OG1 3.26Å; S426-T429 PolarHBondContact O-N 3.38Å; S426-T429 PolarHBondContact O-OG1 2.98Å; S426-I430 WeakPolarHBondContact O-CB 3.49Å; S426-I430 VanDerWaalsContact O-CG1 3.27Å; S426-I430 WeakPolarHBondContact O-CG1 3.47Å; S426-I430 PolarHBondContact O-N 3.21Å
427I75.1Confident74.3Confident85 Ų8594.6 Ų94.644%0.43646%0.463SS..Hα-helixtrans-58-39.8173.3-69.8169.2000109.9L423 K431L423-I427 HydrophobicContact CD1-CD1 3.9Å; L423-I427 HydrophobicContact CD1-CG1 4.17Å; L423-I427 HydrophobicContact CG-CD1 3.84Å; L423-I427 HydrophobicContact CG-CG1 4.48Å; L423-I427 WeakPolarHBondContact O-CG1 3.47Å; L423-I427 PolarHBondContact O-N 3.42Å; I427-K431 WeakPolarHBondContact O-CB 3.44Å; I427-K431 PolarHBondContact O-N 3.03Å
428K77.8Confident74.8Confident109 Ų10991.4 Ų91.447%0.47445%0.445SS..Hα-helixtrans-66.5-44.7176.2-179-178.6169.9-174.20112.8H424 R425 S426 K431 E432H424-K428 WeakPolarHBondContact O-CB 3.45Å; H424-K428 PolarHBondContact O-N 3.45Å; R425-K428 PolarHBondContact O-N 2.93Å; S426-K428 PolarHBondContact O-N 3.44Å; K428-K431 PolarHBondContact O-N 3.02Å; K428-E432 WeakPolarHBondContact CE-OE1 3.44Å; K428-E432 IonicContact NZ-OE1 3.16Å; K428-E432 WeakPolarHBondContact O-CG 3.44Å; K428-E432 PolarHBondContact O-N 3.3Å
429T76Confident75.5Confident76 Ų7689.2 Ų89.247%0.46643%0.434SS..Hα-helixtrans-67.1-38.1178520000111.7R425 S426 E432 N433R425-T429 PolarHBondContact O-N 2.81Å; R425-T429 PolarHBondContact O-OG1 3.37Å; S426-T429 WeakPolarHBondContact CA-OG1 3.26Å; S426-T429 PolarHBondContact O-N 3.38Å; S426-T429 PolarHBondContact O-OG1 2.98Å; T429-E432 PolarHBondContact O-N 3.4Å; T429-N433 WeakPolarHBondContact O-CB 3.17Å; T429-N433 VanDerWaalsContact O-CG 3.22Å; T429-N433 PolarHBondContact O-N 3.04Å; T429-N433 PolarHBondContact O-ND2 3.05Å
430I73.9Confident75.9Confident85 Ų8589.4 Ų89.444%0.43643%0.431SS..Hα-helixtrans-57.8-50.1170.1-67.9165000110.2S426 E432 N433 I434S426-I430 WeakPolarHBondContact O-CB 3.49Å; S426-I430 VanDerWaalsContact O-CG1 3.27Å; S426-I430 WeakPolarHBondContact O-CG1 3.47Å; S426-I430 PolarHBondContact O-N 3.21Å; I430-E432 PolarHBondContact O-N 2.94Å; I430-N433 WeakPolarHBondContact O-CB 3.5Å; I430-N433 PolarHBondContact O-N 2.98Å; I430-I434 HydrophobicContact CG2-CD1 4.08Å; I430-I434 WeakPolarHBondContact O-CG1 3.36Å; I430-I434 PolarHBondContact O-N 2.96Å
431K74.8Confident76.4Confident123 Ų12384.7 Ų84.754%0.53541%0.41SS..Hα-helixtrans-63.7-38.9178.9-168.4167.1-172.8165.70113I427 K428 I434 T435I427-K431 WeakPolarHBondContact O-CB 3.44Å; I427-K431 PolarHBondContact O-N 3.03Å; K428-K431 PolarHBondContact O-N 3.02Å; K431-I434 PolarHBondContact O-N 3.02Å; K431-T435 WeakPolarHBondContact O-CG2 3.34Å; K431-T435 PolarHBondContact O-N 2.89Å; K431-T435 VanDerWaalsContact O-N 3.08Å; K431-T435 PolarHBondContact O-OG1 3.48Å
432E75.8Confident77Confident64 Ų6480 Ų8030%0.29939%0.389SS..Hα-helixtrans-63.4-43.9173.4-75-173.6-167.100110.8K428 T429 I430 T435 F436K428-E432 WeakPolarHBondContact CE-OE1 3.44Å; K428-E432 IonicContact NZ-OE1 3.16Å; K428-E432 WeakPolarHBondContact O-CG 3.44Å; K428-E432 PolarHBondContact O-N 3.3Å; T429-E432 PolarHBondContact O-N 3.4Å; I430-E432 PolarHBondContact O-N 2.94Å; E432-T435 PolarHBondContact O-N 3.44Å; E432-T435 PolarHBondContact O-OG1 3.27Å; E432-F436 PolarHBondContact O-N 3.01Å
433N74Confident77.6Confident95 Ų9576.7 Ų76.751%0.50838%0.381SS..Hα-helixtrans-61.2-44.1175.3-73.4-18.4000113T429 I430 T435 F436 Q437T429-N433 WeakPolarHBondContact O-CB 3.17Å; T429-N433 VanDerWaalsContact O-CG 3.22Å; T429-N433 PolarHBondContact O-N 3.04Å; T429-N433 PolarHBondContact O-ND2 3.05Å; I430-N433 WeakPolarHBondContact O-CB 3.5Å; I430-N433 PolarHBondContact O-N 2.98Å; N433-T435 PolarHBondContact O-N 3.27Å; N433-F436 PolarHBondContact O-N 3.16Å; N433-Q437 WeakPolarHBondContact O-CG 3.47Å; N433-Q437 PolarHBondContact O-N 2.98Å
434I73.4Confident78.1Confident53 Ų5371.6 Ų71.627%0.27235%0.354SS..Hα-helixtrans-56.7-50.6173.2-64.7165000110.1Y347 I430 K431 F436 Q437 N438Y347-I434 WeakPolarHBondContact OH-CD1 3.43Å; Y347-I434 WeakPolarHBondContact OH-CG1 3.49Å; I430-I434 HydrophobicContact CG2-CD1 4.08Å; I430-I434 WeakPolarHBondContact O-CG1 3.36Å; I430-I434 PolarHBondContact O-N 2.96Å; K431-I434 PolarHBondContact O-N 3.02Å; I434-F436 PolarHBondContact O-N 3.5Å; I434-Q437 PolarHBondContact O-N 3.49Å; I434-N438 WeakPolarHBondContact O-CB 3.41Å; I434-N438 PolarHBondContact O-N 3.46Å
435T73.7Confident78.7Confident46 Ų4665.4 Ų65.428%0.28233%0.326SS..Hα-helixtrans-63.7-31-178.458.80000112.6K431 E432 N433 L439K431-T435 WeakPolarHBondContact O-CG2 3.34Å; K431-T435 PolarHBondContact O-N 2.89Å; K431-T435 VanDerWaalsContact O-N 3.08Å; K431-T435 PolarHBondContact O-OG1 3.48Å; E432-T435 PolarHBondContact O-N 3.44Å; E432-T435 PolarHBondContact O-OG1 3.27Å; N433-T435 PolarHBondContact O-N 3.27Å; T435-L439 WeakPolarHBondContact O-CB 3.33Å; T435-L439 PolarHBondContact O-N 3.11Å
436F78.6Confident79.3Confident114 Ų11462.2 Ų62.250%0.532%0.316SS..Hα-helixtrans-73.8-39.3175.4-176.4-117.1000112.8E432 N433 I434 K440E432-F436 PolarHBondContact O-N 3.01Å; N433-F436 PolarHBondContact O-N 3.16Å; I434-F436 PolarHBondContact O-N 3.5Å; F436-K440 HydrophobicContact CE1-CD 4.34Å; F436-K440 HydrophobicContact CZ-CD 4.47Å; F436-K440 VanDerWaalsContact CZ-CE 3.48Å; F436-K440 PolarHBondContact O-N 2.91Å
437Q75.5Confident80.2Confident79 Ų7961.6 Ų61.637%0.36931%0.31SS..Hα-helixtrans-65.4-50.7173.5-73.5176.6-7.500111.2N433 I434 L439 K440 T441 N494N433-Q437 WeakPolarHBondContact O-CG 3.47Å; N433-Q437 PolarHBondContact O-N 2.98Å; I434-Q437 PolarHBondContact O-N 3.49Å; Q437-L439 VanDerWaalsContact C-N 3.26Å; Q437-L439 PolarHBondContact O-N 2.78Å; Q437-K440 WeakPolarHBondContact O-CB 3.21Å; Q437-K440 PolarHBondContact O-N 3.47Å; Q437-T441 PolarHBondContact O-N 3.09Å; Q437-T441 PolarHBondContact O-OG1 3.3Å; Q437-N494 PolarHBondContact NE2-ND2 3.07Å; Q437-N494 VanDerWaalsContact NE2-ND2 3.1Å
438N77.9Confident81Confident25 Ų2557.8 Ų57.813%0.13429%0.29CS..Hα-helixtrans-58.9-37.2176.8-79.9-20.5000112.5L113 I434 T441 A442L113-N438 HydrophobicContact CD2-CB 3.85Å; I434-N438 WeakPolarHBondContact O-CB 3.41Å; I434-N438 PolarHBondContact O-N 3.46Å; N438-T441 PolarHBondContact O-N 2.91Å; N438-A442 PolarHBondContact O-N 3.33Å
439L83.1Confident81.6Confident43 Ų4352.6 Ų52.623%0.22527%0.268CS..Hα-helixtrans-64.6-45173.5178.759.5000111.7L113 V238 T435 Q437 T441 A442 S443L113-L439 HydrophobicContact CD1-CD1 4.44Å; V238-L439 HydrophobicContact CB-CD1 4.45Å; V238-L439 HydrophobicContact CG1-CD1 3.9Å; V238-L439 HydrophobicContact CG1-CD2 3.78Å; V238-L439 HydrophobicContact CG2-CD1 3.88Å; T435-L439 WeakPolarHBondContact O-CB 3.33Å; T435-L439 PolarHBondContact O-N 3.11Å; Q437-L439 VanDerWaalsContact C-N 3.26Å; Q437-L439 PolarHBondContact O-N 2.78Å; L439-T441 PolarHBondContact O-N 2.93Å; L439-A442 PolarHBondContact O-N 3.49Å; L439-S443 PolarHBondContact O-N 3.45Å; L439-S443 PolarHBondContact O-OG 2.88Å
440K82.6Confident82.3Confident81 Ų8152 Ų5235%0.35226%0.261SS..Hα-helixtrans-60.6-43.1175-79.6-171.6171.4-168.80112.4F436 Q437 A442 S443 M444F436-K440 HydrophobicContact CE1-CD 4.34Å; F436-K440 HydrophobicContact CZ-CD 4.47Å; F436-K440 VanDerWaalsContact CZ-CE 3.48Å; F436-K440 PolarHBondContact O-N 2.91Å; Q437-K440 WeakPolarHBondContact O-CB 3.21Å; Q437-K440 PolarHBondContact O-N 3.47Å; K440-A442 VanDerWaalsContact C-N 3.34Å; K440-A442 PolarHBondContact O-N 3.49Å; K440-S443 PolarHBondContact O-N 2.98Å; K440-M444 VanDerWaalsContact O-CB 3.26Å; K440-M444 WeakPolarHBondContact O-CB 3.46Å; K440-M444 PolarHBondContact O-N 3.29Å
441T82.7Confident83.2Confident23 Ų2349.3 Ų49.314%0.14125%0.248CC..Hα-helixtrans-60.5-42.9174.8-56.90000111.2I50 Q437 N438 L439 M444 L445I50-T441 HydrophobicContact CD1-CG2 4.04Å; Q437-T441 PolarHBondContact O-N 3.09Å; Q437-T441 PolarHBondContact O-OG1 3.3Å; N438-T441 PolarHBondContact O-N 2.91Å; L439-T441 PolarHBondContact O-N 2.93Å; T441-M444 PolarHBondContact O-N 3.27Å; T441-L445 HydrophobicContact CG2-CD1 3.77Å; T441-L445 WeakPolarHBondContact O-CB 3.36Å; T441-L445 WeakPolarHBondContact O-CD1 3.4Å; T441-L445 VanDerWaalsContact O-CG 3.28Å; T441-L445 WeakPolarHBondContact O-CG 3.36Å; T441-L445 PolarHBondContact O-N 3.01Å
442A86.1Confident84Confident2 Ų243.8 Ų43.82%0.01722%0.224CC..Hα-helixtrans-66.9-40.417500000113.1R109 L113 Y231 N438 L439 K440 M444 L445 F446R109-A442 HydrophobicContact CB-CB 4.11Å; R109-A442 HydrophobicContact CG-CB 4.17Å; L113-A442 HydrophobicContact CD1-CB 3.51Å; Y231-A442 WeakPolarHBondContact CE1-O 3.37Å; N438-A442 PolarHBondContact O-N 3.33Å; L439-A442 PolarHBondContact O-N 3.49Å; K440-A442 VanDerWaalsContact C-N 3.34Å; K440-A442 PolarHBondContact O-N 3.49Å; A442-M444 VanDerWaalsContact C-N 3.27Å; A442-M444 PolarHBondContact O-N 2.88Å; A442-L445 PolarHBondContact O-N 2.81Å; A442-F446 WeakPolarHBondContact O-CB 3.34Å; A442-F446 PolarHBondContact O-N 3.44Å
443S86.7Confident84.7Confident51 Ų5141.9 Ų41.936%0.35722%0.216SC..Hα-helixtrans-64.9-31.7173.8-61.40000112.7L439 K440 V447 M491L439-S443 PolarHBondContact O-N 3.45Å; L439-S443 PolarHBondContact O-OG 2.88Å; K440-S443 PolarHBondContact O-N 2.98Å; S443-V447 PolarHBondContact O-N 3.01Å; S443-M491 WeakPolarHBondContact O-CE 3.42Å
444M87.6Confident85.6Confident2 Ų242.6 Ų42.61%0.0122%0.218CC..Hα-helixtrans-72.2-46176173.3-89.7150.200111.4K440 T441 A442 F446 V447 V448 I487 Y488 M491K440-M444 VanDerWaalsContact O-CB 3.26Å; K440-M444 WeakPolarHBondContact O-CB 3.46Å; K440-M444 PolarHBondContact O-N 3.29Å; T441-M444 PolarHBondContact O-N 3.27Å; A442-M444 VanDerWaalsContact C-N 3.27Å; A442-M444 PolarHBondContact O-N 2.88Å; M444-F446 VanDerWaalsContact C-N 3.26Å; M444-F446 PolarHBondContact O-N 3.42Å; M444-V447 WeakPolarHBondContact O-CB 3.49Å; M444-V447 PolarHBondContact O-N 3.1Å; M444-V447 VanDerWaalsContact O-N 3.08Å; M444-V448 HydrophobicContact CE-CG2 3.5Å; M444-V448 PolarHBondContact O-N 3.13Å; M444-I487 HydrophobicContact CE-CB 3.91Å; M444-I487 HydrophobicContact CE-CG2 3.85Å; M444-I487 HydrophobicContact CG-CG2 3.78Å; M444-Y488 HydrophobicContact CE-CD1 3.32Å; M444-Y488 HydrophobicContact CE-CD2 4.18Å; M444-Y488 HydrophobicContact CE-CE1 3.22Å; M444-Y488 HydrophobicContact CE-CE2 4.09Å; M444-Y488 HydrophobicContact CE-CG 3.78Å; M444-Y488 HydrophobicContact CG-CD1 4.35Å; M444-Y488 HydrophobicContact SD-CD1 3.44Å; M444-Y488 WeakPolarHBondContact SD-CD1 3.49Å; M444-Y488 HydrophobicContact SD-CE1 3.31Å; M444-Y488 WeakPolarHBondContact SD-CE1 3.49Å; M444-Y488 HydrophobicContact SD-CG 4.42Å; M444-M491 HydrophobicContact CB-CB 3.95Å; M444-M491 HydrophobicContact CB-CE 4.29Å; M444-M491 HydrophobicContact CB-SD 4.12Å; M444-M491 HydrophobicContact CG-CB 4.05Å; M444-M491 HydrophobicContact CG-SD 4.37Å
445L87.2Confident86.5Confident6 Ų640.7 Ų40.73%0.03121%0.209CC..Hα-helixtrans-69.6-22.7175.8-64.5163.2000112.7I105 R109 Y231 T441 A442 A449I105-L445 HydrophobicContact CG2-CB 4.02Å; I105-L445 HydrophobicContact CG2-CD1 3.76Å; I105-L445 HydrophobicContact CG2-CD2 4.23Å; I105-L445 HydrophobicContact CG2-CG 4.21Å; R109-L445 HydrophobicContact CG-CD1 4.16Å; Y231-L445 PolarHBondContact OH-O 3.49Å; T441-L445 HydrophobicContact CG2-CD1 3.77Å; T441-L445 WeakPolarHBondContact O-CB 3.36Å; T441-L445 WeakPolarHBondContact O-CD1 3.4Å; T441-L445 VanDerWaalsContact O-CG 3.28Å; T441-L445 WeakPolarHBondContact O-CG 3.36Å; T441-L445 PolarHBondContact O-N 3.01Å; A442-L445 PolarHBondContact O-N 2.81Å; L445-A449 WeakPolarHBondContact O-CB 3.11Å; L445-A449 PolarHBondContact O-N 2.92Å; L445-A449 VanDerWaalsContact O-N 3.09Å
446F89.7Confident87.4Confident84 Ų8439.4 Ų39.437%0.36820%0.2SC..Hα-helixtrans-66.2-38.7167.7179.7-131.1000112.2Y231 A442 M444 A449 I450Y231-F446 HydrophobicContact CD1-CB 3.79Å; Y231-F446 AromaticContact CD1-CD2 3.79Å; Y231-F446 HydrophobicContact CD1-CD2 3.79Å; Y231-F446 AromaticContact CD1-CG 4Å; Y231-F446 HydrophobicContact CD1-CG 4Å; Y231-F446 HydrophobicContact CD2-CB 4.48Å; Y231-F446 AromaticContact CD2-CD2 3.51Å; Y231-F446 HydrophobicContact CD2-CD2 3.51Å; Y231-F446 HydrophobicContact CD2-CE2 4.19Å; Y231-F446 HydrophobicContact CD2-CG 4.4Å; Y231-F446 HydrophobicContact CE1-CB 3.67Å; Y231-F446 HydrophobicContact CE1-CD2 4.36Å; Y231-F446 HydrophobicContact CE1-CG 4.37Å; Y231-F446 HydrophobicContact CE2-CB 4.36Å; Y231-F446 HydrophobicContact CE2-CD2 4.09Å; Y231-F446 HydrophobicContact CG-CB 4.21Å; Y231-F446 AromaticContact CG-CD2 3.33Å; Y231-F446 HydrophobicContact CG-CD2 3.33Å; Y231-F446 AromaticContact CG-CE2 3.92Å; Y231-F446 HydrophobicContact CG-CE2 3.92Å; Y231-F446 HydrophobicContact CG-CG 4.02Å; Y231-F446 PolarHBondContact OH-N 3.3Å; A442-F446 WeakPolarHBondContact O-CB 3.34Å; A442-F446 PolarHBondContact O-N 3.44Å; M444-F446 VanDerWaalsContact C-N 3.26Å; M444-F446 PolarHBondContact O-N 3.42Å; F446-A449 PolarHBondContact O-N 3.41Å; F446-I450 HydrophobicContact CD1-CD1 3.93Å; F446-I450 HydrophobicContact CD2-CD1 4.15Å; F446-I450 HydrophobicContact CD2-CG1 4.33Å; F446-I450 HydrophobicContact CE1-CD1 3.62Å; F446-I450 HydrophobicContact CE2-CD1 3.86Å; F446-I450 HydrophobicContact CE2-CG1 4.1Å; F446-I450 HydrophobicContact CG-CD1 4.21Å; F446-I450 HydrophobicContact CZ-CD1 3.6Å; F446-I450 HydrophobicContact CZ-CG1 4.3Å; F446-I450 WeakPolarHBondContact O-CG1 3.32Å; F446-I450 PolarHBondContact O-N 3.47Å
447V92.1Very high88Confident48 Ų4837.4 Ų37.429%0.29119%0.194SC..Hα-helixtrans-67.5-40.6175.4174.20000110.9S443 M444 A449 I450 V451 I487 M491S443-V447 PolarHBondContact O-N 3.01Å; M444-V447 WeakPolarHBondContact O-CB 3.49Å; M444-V447 PolarHBondContact O-N 3.1Å; M444-V447 VanDerWaalsContact O-N 3.08Å; V447-A449 VanDerWaalsContact C-N 3.35Å; V447-A449 PolarHBondContact O-N 3.07Å; V447-I450 PolarHBondContact O-N 2.99Å; V447-V451 WeakPolarHBondContact O-CG2 3.16Å; V447-V451 PolarHBondContact O-N 3.31Å; V447-I487 HydrophobicContact CB-CG2 4.07Å; V447-I487 HydrophobicContact CG1-CD1 4.07Å; V447-I487 HydrophobicContact CG1-CG1 4.33Å; V447-I487 HydrophobicContact CG1-CG2 3.97Å; V447-M491 HydrophobicContact CB-SD 4.1Å; V447-M491 HydrophobicContact CG2-CE 3.97Å; V447-M491 HydrophobicContact CG2-SD 3.76Å
448V91Very high88.7Confident5 Ų535.4 Ų35.43%0.0319%0.187CC..Hα-helixtrans-53.7-52.3171.2177.10000110.9M444 I450 V451 Y452 N484 I487M444-V448 HydrophobicContact CE-CG2 3.5Å; M444-V448 PolarHBondContact O-N 3.13Å; V448-I450 VanDerWaalsContact C-N 3.34Å; V448-I450 PolarHBondContact O-N 2.82Å; V448-V451 PolarHBondContact O-N 2.82Å; V448-Y452 PolarHBondContact O-N 3.25Å; V448-N484 WeakPolarHBondContact CG1-OD1 3.36Å; V448-N484 VanDerWaalsContact CG2-OD1 3.24Å; V448-N484 WeakPolarHBondContact CG2-OD1 3.33Å; V448-I487 HydrophobicContact CG2-CD1 3.84Å
449A90.8Very high89.3Confident0 Ų034.4 Ų34.40%018%0.183CC..Hα-helixtrans-59.8-38.3177.900000113.5I102 V227 Y231 L445 F446 V447 I453I102-A449 HydrophobicContact CG2-CB 3.86Å; V227-A449 HydrophobicContact CG1-CB 3.55Å; Y231-A449 HydrophobicContact CE2-CB 4.17Å; L445-A449 WeakPolarHBondContact O-CB 3.11Å; L445-A449 PolarHBondContact O-N 2.92Å; L445-A449 VanDerWaalsContact O-N 3.09Å; F446-A449 PolarHBondContact O-N 3.41Å; V447-A449 VanDerWaalsContact C-N 3.35Å; V447-A449 PolarHBondContact O-N 3.07Å; A449-I453 VanDerWaalsContact O-CG1 3.29Å; A449-I453 WeakPolarHBondContact O-CG1 3.43Å; A449-I453 PolarHBondContact O-N 3.38Å; A449-I453 VanDerWaalsContact O-N 3.08Å
450I92.2Very high89.5Confident64 Ų6434.1 Ų34.133%0.32818%0.181SC..Hα-helixtrans-64.7-45.6175.3-74.8166.5000111.1F446 V447 V448 Y452 I453 I454F446-I450 HydrophobicContact CD1-CD1 3.93Å; F446-I450 HydrophobicContact CD2-CD1 4.15Å; F446-I450 HydrophobicContact CD2-CG1 4.33Å; F446-I450 HydrophobicContact CE1-CD1 3.62Å; F446-I450 HydrophobicContact CE2-CD1 3.86Å; F446-I450 HydrophobicContact CE2-CG1 4.1Å; F446-I450 HydrophobicContact CG-CD1 4.21Å; F446-I450 HydrophobicContact CZ-CD1 3.6Å; F446-I450 HydrophobicContact CZ-CG1 4.3Å; F446-I450 WeakPolarHBondContact O-CG1 3.32Å; F446-I450 PolarHBondContact O-N 3.47Å; V447-I450 PolarHBondContact O-N 2.99Å; V448-I450 VanDerWaalsContact C-N 3.34Å; V448-I450 PolarHBondContact O-N 2.82Å; I450-Y452 VanDerWaalsContact C-N 3.32Å; I450-Y452 PolarHBondContact O-N 2.98Å; I450-I453 PolarHBondContact O-N 3.3Å; I450-I454 HydrophobicContact CG2-CD1 3.55Å; I450-I454 HydrophobicContact CG2-CG1 4.27Å; I450-I454 WeakPolarHBondContact O-CB 3.4Å; I450-I454 WeakPolarHBondContact O-CG1 3.31Å; I450-I454 PolarHBondContact O-N 2.81Å
451V92.8Very high89.9Confident27 Ų2733.2 Ų33.216%0.16418%0.18CC..Hα-helixtrans-63.3-41.9179.2179.90000110.3V447 V448 I453 I454 T455 I479 I483V447-V451 WeakPolarHBondContact O-CG2 3.16Å; V447-V451 PolarHBondContact O-N 3.31Å; V448-V451 PolarHBondContact O-N 2.82Å; V451-I453 PolarHBondContact O-N 3.12Å; V451-I454 PolarHBondContact O-N 3.28Å; V451-T455 HydrophobicContact CG1-CG2 3.87Å; V451-T455 WeakPolarHBondContact O-CB 3.47Å; V451-T455 VanDerWaalsContact O-CG2 3.3Å; V451-T455 WeakPolarHBondContact O-CG2 3.43Å; V451-T455 PolarHBondContact O-N 2.03Å; V451-T455 PolarHBondContact O-OG1 3.16Å; V451-I479 HydrophobicContact CG1-CG2 4.32Å; V451-I483 HydrophobicContact CG1-CD1 4.13Å; V451-I483 HydrophobicContact CG1-CG2 4.26Å; V451-I483 HydrophobicContact CG2-CD1 4.27Å
452Y91Very high90.3Very high8 Ų832.9 Ų32.93%0.03118%0.177CC..Hα-helixtrans-56.6-47.8175.1-179-98.6000112.3S99 I102 Y220 V448 I450 F456 N480S99-Y452 WeakPolarHBondContact CB-OH 3.44Å; I102-Y452 HydrophobicContact CD1-CD1 4.02Å; I102-Y452 HydrophobicContact CD1-CD2 3.82Å; I102-Y452 HydrophobicContact CD1-CE2 4.4Å; I102-Y452 HydrophobicContact CD1-CG 3.62Å; Y220-Y452 AromaticContact CD2-CE1 3.74Å; Y220-Y452 HydrophobicContact CD2-CE1 3.74Å; Y220-Y452 HydrophobicContact CE2-CD1 4.22Å; Y220-Y452 AromaticContact CE2-CE1 3.59Å; Y220-Y452 HydrophobicContact CE2-CE1 3.59Å; V448-Y452 PolarHBondContact O-N 3.25Å; I450-Y452 VanDerWaalsContact C-N 3.32Å; I450-Y452 PolarHBondContact O-N 2.98Å; Y452-F456 VanDerWaalsContact O-CB 3.24Å; Y452-F456 WeakPolarHBondContact O-CB 3.39Å; Y452-F456 PolarHBondContact O-N 3.45Å; Y452-N480 WeakPolarHBondContact CA-OD1 3.29Å; Y452-N480 HydrophobicContact CD2-CB 4.39Å; Y452-N480 PolarHBondContact N-OD1 2.83Å; Y452-N480 VanDerWaalsContact N-OD1 3.11Å
453I91.1Very high90.2Very high23 Ų2335.4 Ų35.412%0.11820%0.197CC..Hα-helixtrans-65-49.6178.2-65.4170.5000111.1Y220 I224 V227 V228 A449 I450 V451 T455 I457Y220-I453 PolarHBondContact OH-O 3.45Å; I224-I453 HydrophobicContact CB-CD1 4.48Å; I224-I453 HydrophobicContact CD1-CG2 4.49Å; I224-I453 HydrophobicContact CG1-CD1 4.15Å; I224-I453 HydrophobicContact CG1-CG1 3.94Å; I224-I453 HydrophobicContact CG1-CG2 4.13Å; I224-I453 HydrophobicContact CG2-CD1 4.48Å; V227-I453 HydrophobicContact CG1-CD1 4.06Å; V228-I453 HydrophobicContact CG2-CD1 4.35Å; A449-I453 VanDerWaalsContact O-CG1 3.29Å; A449-I453 WeakPolarHBondContact O-CG1 3.43Å; A449-I453 PolarHBondContact O-N 3.38Å; A449-I453 VanDerWaalsContact O-N 3.08Å; I450-I453 PolarHBondContact O-N 3.3Å; V451-I453 PolarHBondContact O-N 3.12Å; I453-T455 VanDerWaalsContact C-N 3.35Å; I453-T455 PolarHBondContact O-N 2.96Å; I453-I457 HydrophobicContact CG2-CD1 3.78Å; I453-I457 HydrophobicContact CG2-CG1 4.47Å; I453-I457 WeakPolarHBondContact O-CD1 3.42Å; I453-I457 VanDerWaalsContact O-CG1 3.29Å; I453-I457 WeakPolarHBondContact O-CG1 3.01Å; I453-I457 PolarHBondContact O-N 3.34Å
454I92.5Very high90.1Very high110 Ų11037.9 Ų37.956%0.56421%0.205SC*.Hα-helixtrans-63-39.4-176.5-70.6175.3000112.3I450 V451 P458I450-I454 HydrophobicContact CG2-CD1 3.55Å; I450-I454 HydrophobicContact CG2-CG1 4.27Å; I450-I454 WeakPolarHBondContact O-CB 3.4Å; I450-I454 WeakPolarHBondContact O-CG1 3.31Å; I450-I454 PolarHBondContact O-N 2.81Å; V451-I454 PolarHBondContact O-N 3.28Å; I454-P458 WeakPolarHBondContact O-CD 3.15Å
455T92.5Very high90.1Very high13 Ų1346.5 Ų46.58%0.0825%0.245CC..Hα-helixtrans-83.4-22-17456.30000113.7V451 I453 L476 I479 N480V451-T455 HydrophobicContact CG1-CG2 3.87Å; V451-T455 WeakPolarHBondContact O-CB 3.47Å; V451-T455 VanDerWaalsContact O-CG2 3.3Å; V451-T455 WeakPolarHBondContact O-CG2 3.43Å; V451-T455 PolarHBondContact O-N 2.03Å; V451-T455 PolarHBondContact O-OG1 3.16Å; I453-T455 VanDerWaalsContact C-N 3.35Å; I453-T455 PolarHBondContact O-N 2.96Å; T455-L476 HydrophobicContact CG2-CG 4.48Å; T455-I479 HydrophobicContact CG2-CG2 3.71Å; T455-N480 PolarHBondContact OG1-ND2 2.94Å
456F90.9Very high90.3Very high19 Ų1955 Ų558%0.08328%0.279CS..Hα-helixtrans-93.9-21179.2-160.2-86.8000113.2I95 Y220 Y452 A459 M460 Y477I95-F456 HydrophobicContact CD1-CE2 4.4Å; I95-F456 HydrophobicContact CG2-CE2 3.67Å; I95-F456 HydrophobicContact CG2-CZ 3.62Å; Y220-F456 AromaticContact CD1-CD1 3.93Å; Y220-F456 HydrophobicContact CD1-CD1 3.93Å; Y220-F456 HydrophobicContact CD1-CE1 4.13Å; Y220-F456 AromaticContact CD2-CD1 3.44Å; Y220-F456 HydrophobicContact CD2-CD1 3.44Å; Y220-F456 VanDerWaalsContact CD2-CD1 3.44Å; Y220-F456 AromaticContact CD2-CE1 3.74Å; Y220-F456 HydrophobicContact CD2-CE1 3.74Å; Y220-F456 HydrophobicContact CD2-CG 4.15Å; Y220-F456 AromaticContact CE1-CD1 3.76Å; Y220-F456 HydrophobicContact CE1-CD1 3.76Å; Y220-F456 HydrophobicContact CE1-CE1 4.41Å; Y220-F456 HydrophobicContact CE2-CB 3.7Å; Y220-F456 AromaticContact CE2-CD1 3.27Å; Y220-F456 HydrophobicContact CE2-CD1 3.27Å; Y220-F456 HydrophobicContact CE2-CE1 4.07Å; Y220-F456 AromaticContact CE2-CG 3.71Å; Y220-F456 HydrophobicContact CE2-CG 3.71Å; Y220-F456 AromaticContact CG-CD1 3.78Å; Y220-F456 HydrophobicContact CG-CD1 3.78Å; Y220-F456 AromaticContact CG-CE1 3.78Å; Y220-F456 HydrophobicContact CG-CE1 3.78Å; Y220-F456 AromaticContact CZ-CD1 3.44Å; Y220-F456 VanDerWaalsContact CZ-CD1 3.44Å; Y452-F456 VanDerWaalsContact O-CB 3.24Å; Y452-F456 WeakPolarHBondContact O-CB 3.39Å; Y452-F456 PolarHBondContact O-N 3.45Å; F456-A459 PolarHBondContact O-N 2.95Å; F456-M460 HydrophobicContact CD1-CG 3.56Å; F456-M460 HydrophobicContact CD1-SD 4.31Å; F456-M460 HydrophobicContact CE1-CG 3.52Å; F456-M460 HydrophobicContact CE1-SD 3.63Å; F456-M460 PolarHBondContact O-N 3.43Å; F456-Y477 HydrophobicContact CD2-CD1 4.27Å; F456-Y477 HydrophobicContact CD2-CD2 4.21Å; F456-Y477 AromaticContact CD2-CG 3.82Å; F456-Y477 HydrophobicContact CD2-CG 3.82Å; F456-Y477 HydrophobicContact CE2-CD2 4.35Å; F456-Y477 HydrophobicContact CE2-CG 4.26Å
457I91.2Very high90.3Very high73 Ų7354 Ų5437%0.37428%0.279SS..Hα-helixtrans-54.2-48.7172.9-80.2165.1000112.8Y220 I453 A459 M460 L461Y220-I457 PolarHBondContact OH-N 2.9Å; I453-I457 HydrophobicContact CG2-CD1 3.78Å; I453-I457 HydrophobicContact CG2-CG1 4.47Å; I453-I457 WeakPolarHBondContact O-CD1 3.42Å; I453-I457 VanDerWaalsContact O-CG1 3.29Å; I453-I457 WeakPolarHBondContact O-CG1 3.01Å; I453-I457 PolarHBondContact O-N 3.34Å; I457-A459 PolarHBondContact O-N 3.31Å; I457-M460 PolarHBondContact O-N 2.93Å; I457-L461 HydrophobicContact CG2-CD1 3.86Å; I457-L461 HydrophobicContact CG2-CG 4.39Å; I457-L461 WeakPolarHBondContact O-CG 3.14Å; I457-L461 PolarHBondContact O-N 3.22Å
458P91.9Very high90.1Very high36 Ų3657.1 Ų57.123%0.23430%0.3CS..Hα-helixtrans-61.3-42179.1-25.235000112.9I454 M460 L461 M462 I473I454-P458 WeakPolarHBondContact O-CD 3.15Å; P458-M460 PolarHBondContact O-N 2.99Å; P458-L461 PolarHBondContact O-N 3.22Å; P458-M462 HydrophobicContact CB-CE 4.07Å; P458-M462 WeakPolarHBondContact O-CE 3.07Å; P458-M462 PolarHBondContact O-N 2.98Å; P458-I473 HydrophobicContact CB-CG2 3.56Å; P458-I473 HydrophobicContact CG-CG2 4.32Å
459A89.7Confident90Very high5 Ų560.7 Ų60.74%0.04132%0.319CS..Hα-helixtrans-60.7-44.3177.100000111.5F456 I457 L461 M462 A463 F474 Y477F456-A459 PolarHBondContact O-N 2.95Å; I457-A459 PolarHBondContact O-N 3.31Å; A459-L461 PolarHBondContact O-N 2.74Å; A459-M462 PolarHBondContact O-N 3.12Å; A459-A463 VanDerWaalsContact O-CB 3.26Å; A459-A463 WeakPolarHBondContact O-CB 3.41Å; A459-A463 PolarHBondContact O-N 3.41Å; A459-F474 HydrophobicContact CB-CD2 4.07Å; A459-F474 HydrophobicContact CB-CE2 4.27Å; A459-Y477 HydrophobicContact CB-CD1 3.76Å; A459-Y477 HydrophobicContact CB-CE1 4.17Å
460M88.3Confident90.1Very high36 Ų3665.9 Ų65.918%0.17734%0.339CS..Hα-helixtrans-61.5-41.6173.6-76.7-61.5-51.800113.1T217 Y220 F456 I457 P458 M462 A463 I464T217-M460 HydrophobicContact CG2-CE 3.88Å; Y220-M460 HydrophobicContact CD1-CG 3.89Å; Y220-M460 HydrophobicContact CD1-SD 4.45Å; Y220-M460 HydrophobicContact CE1-CG 3.9Å; F456-M460 HydrophobicContact CD1-CG 3.56Å; F456-M460 HydrophobicContact CD1-SD 4.31Å; F456-M460 HydrophobicContact CE1-CG 3.52Å; F456-M460 HydrophobicContact CE1-SD 3.63Å; F456-M460 PolarHBondContact O-N 3.43Å; I457-M460 PolarHBondContact O-N 2.93Å; P458-M460 PolarHBondContact O-N 2.99Å; M460-M462 VanDerWaalsContact C-N 3.35Å; M460-A463 PolarHBondContact O-N 3.5Å; M460-I464 WeakPolarHBondContact O-CG1 3.48Å; M460-I464 PolarHBondContact O-N 2.93Å; M460-I464 VanDerWaalsContact O-N 3.17Å
461L90.9Very high90.1Very high63 Ų6363.1 Ų63.133%0.3333%0.325SS..Hα-helixtrans-67.8-33179.9-71.3172.7000112.9I457 P458 A459 I464 Y466 V467I457-L461 HydrophobicContact CG2-CD1 3.86Å; I457-L461 HydrophobicContact CG2-CG 4.39Å; I457-L461 WeakPolarHBondContact O-CG 3.14Å; I457-L461 PolarHBondContact O-N 3.22Å; P458-L461 PolarHBondContact O-N 3.22Å; A459-L461 PolarHBondContact O-N 2.74Å; L461-I464 HydrophobicContact CD2-CD1 4.42Å; L461-Y466 HydrophobicContact CD2-CD1 4.21Å; L461-Y466 PolarHBondContact O-N 3.22Å; L461-V467 HydrophobicContact CB-CG2 4.02Å; L461-V467 PolarHBondContact O-N 3.03Å
462M89.6Confident90.1Very high16 Ų1662.4 Ų62.48%0.07932%0.321CS..Hα-helixtrans-75.9-37.6171.8-73175.5-79.100112.1P458 A459 M460 I464 E465 V467 L469 Y470 I473 F474P458-M462 HydrophobicContact CB-CE 4.07Å; P458-M462 WeakPolarHBondContact O-CE 3.07Å; P458-M462 PolarHBondContact O-N 2.98Å; A459-M462 PolarHBondContact O-N 3.12Å; M460-M462 VanDerWaalsContact C-N 3.35Å; M462-I464 PolarHBondContact O-N 3.06Å; M462-E465 PolarHBondContact O-N 3.24Å; M462-V467 HydrophobicContact CG-CB 4.07Å; M462-V467 HydrophobicContact CG-CG1 4.25Å; M462-V467 WeakPolarHBondContact CG-O 3.5Å; M462-L469 HydrophobicContact CB-CD1 4.25Å; M462-L469 HydrophobicContact SD-CD1 4.14Å; M462-Y470 PolarHBondContact SD-N 3.43Å; M462-Y470 VanDerWaalsContact SD-N 3.38Å; M462-I473 HydrophobicContact CE-CB 4.22Å; M462-I473 HydrophobicContact CE-CG2 3.78Å; M462-F474 HydrophobicContact CB-CD2 4.32Å; M462-F474 HydrophobicContact CE-CB 3.88Å; M462-F474 HydrophobicContact CE-CD2 4.38Å; M462-F474 HydrophobicContact SD-CB 4.28Å
463A84.5Confident90.3Very high54 Ų5465.8 Ų65.845%0.44634%0.339SS..Hα-helixtrans-69-15.1178.500000114.4A459 M460A459-A463 VanDerWaalsContact O-CB 3.26Å; A459-A463 WeakPolarHBondContact O-CB 3.41Å; A459-A463 PolarHBondContact O-N 3.41Å; M460-A463 PolarHBondContact O-N 3.5Å
464I85.6Confident90.4Very high104 Ų10466.9 Ų66.953%0.53334%0.343SS..THydrogen-bonded Turntrans-104.815.4169.570.1179.4000112.7M460 L461 M462 Y466M460-I464 WeakPolarHBondContact O-CG1 3.48Å; M460-I464 PolarHBondContact O-N 2.93Å; M460-I464 VanDerWaalsContact O-N 3.17Å; L461-I464 HydrophobicContact CD2-CD1 4.42Å; M462-I464 PolarHBondContact O-N 3.06Å; I464-Y466 PolarHBondContact O-N 3.15Å
465E86.6Confident90.5Very high182 Ų18262.1 Ų62.185%0.8532%0.318SS*.THydrogen-bonded Turntrans58.615178-55.3-173.5170.600115.7M462 V467M462-E465 PolarHBondContact O-N 3.24Å; E465-V467 VanDerWaalsContact C-N 3.28Å; E465-V467 PolarHBondContact O-N 2.91Å
466Y90.5Very high90.6Very high186 Ų18664.3 Ų64.373%0.72933%0.329SS*.SBendtrans-74.8-18.9178-168.8-93.5000112.9L461 I464L461-Y466 HydrophobicContact CD2-CD1 4.21Å; L461-Y466 PolarHBondContact O-N 3.22Å; I464-Y466 PolarHBondContact O-N 3.15Å
467V90Very high90.7Very high61 Ų6164.2 Ų64.237%0.3733%0.328SS..SBendtrans-136138.1176.5-178.70000107.9L461 M462 E465L461-V467 HydrophobicContact CB-CG2 4.02Å; L461-V467 PolarHBondContact O-N 3.03Å; M462-V467 HydrophobicContact CG-CB 4.07Å; M462-V467 HydrophobicContact CG-CG1 4.25Å; M462-V467 WeakPolarHBondContact CG-O 3.5Å; E465-V467 VanDerWaalsContact C-N 3.28Å; E465-V467 PolarHBondContact O-N 2.91Å
468P89.4Confident90.9Very high114 Ų11460.8 Ų60.874%0.7431%0.31SS*.  trans-59.7141.1176.324.7-35.3000112.1Y470P468-Y470 PolarHBondContact O-N 3.11Å
469L89Confident91Very high81 Ų8161.5 Ų61.542%0.42431%0.312SS..  trans-64.8128-177.2-177.364.2000112.1L8 M462 L471 F474L8-L469 HydrophobicContact CD1-CD2 3.96Å; L8-L469 HydrophobicContact CD1-CG 4.11Å; L8-L469 HydrophobicContact CD2-CD2 4.26Å; M462-L469 HydrophobicContact CB-CD1 4.25Å; M462-L469 HydrophobicContact SD-CD1 4.14Å; L469-L471 HydrophobicContact CD1-CD2 4.49Å; L469-L471 HydrophobicContact CD2-CD2 4.07Å; L469-L471 HydrophobicContact CG-CD2 4.22Å; L469-F474 HydrophobicContact CD1-CB 3.86Å; L469-F474 HydrophobicContact CD1-CD1 4.49Å; L469-F474 HydrophobicContact CD1-CD2 3.83Å; L469-F474 HydrophobicContact CD1-CG 3.81Å
470Y92.2Very high91.2Very high108 Ų10861.8 Ų61.842%0.42431%0.312SS..  trans-136106.3172.4-175.8-98.4000109.1Q11 M462 P468 P472 I473 F474Q11-Y470 HydrophobicContact CG-CE2 4.26Å; M462-Y470 PolarHBondContact SD-N 3.43Å; M462-Y470 VanDerWaalsContact SD-N 3.38Å; P468-Y470 PolarHBondContact O-N 3.11Å; Y470-P472 HydrophobicContact CD1-CB 4.38Å; Y470-P472 HydrophobicContact CD1-CG 4.31Å; Y470-P472 HydrophobicContact CE1-CB 3.89Å; Y470-P472 HydrophobicContact CE1-CG 3.78Å; Y470-I473 HydrophobicContact CD1-CB 3.98Å; Y470-I473 HydrophobicContact CD1-CD1 3.59Å; Y470-I473 HydrophobicContact CD1-CG1 3.61Å; Y470-I473 HydrophobicContact CE1-CD1 4.06Å; Y470-I473 HydrophobicContact CE1-CG1 4.03Å; Y470-I473 HydrophobicContact CG-CD1 4.49Å; Y470-I473 PolarHBondContact O-N 2.72Å; Y470-F474 PolarHBondContact O-N 3.13Å
471L92.2Very high91.6Very high6 Ų660.9 Ų60.93%0.03131%0.308CS..Hα-helixtrans-56.3-42.3-164.1-57.4178000114L8 Q11 I12 V15 E72 L469 I473 F474 Y475L8-L471 HydrophobicContact CD1-CD1 4.2Å; L8-L471 HydrophobicContact CD1-CD2 3.81Å; L8-L471 HydrophobicContact CD1-CG 3.67Å; L8-L471 HydrophobicContact CD2-CD2 4.32Å; L8-L471 HydrophobicContact CG-CD1 3.91Å; L8-L471 HydrophobicContact CG-CD2 4.1Å; L8-L471 HydrophobicContact CG-CG 3.94Å; Q11-L471 HydrophobicContact CB-CB 4.42Å; Q11-L471 HydrophobicContact CB-CD1 4.33Å; I12-L471 HydrophobicContact CG1-CD1 4.09Å; V15-L471 HydrophobicContact CG2-CB 3.4Å; V15-L471 HydrophobicContact CG2-CD1 4.26Å; E72-L471 WeakPolarHBondContact OE2-CD1 3.39Å; L469-L471 HydrophobicContact CD1-CD2 4.49Å; L469-L471 HydrophobicContact CD2-CD2 4.07Å; L469-L471 HydrophobicContact CG-CD2 4.22Å; L471-I473 VanDerWaalsContact C-N 3.29Å; L471-I473 PolarHBondContact O-N 3.17Å; L471-F474 PolarHBondContact O-N 3.41Å; L471-Y475 HydrophobicContact CB-CD2 4.2Å; L471-Y475 HydrophobicContact CB-CE2 4.32Å; L471-Y475 HydrophobicContact CD2-CE2 4.13Å; L471-Y475 WeakPolarHBondContact O-CD2 3.18Å; L471-Y475 PolarHBondContact O-N 3.43Å
472P93.4Very high91.8Very high13 Ų1358 Ų588%0.08429%0.294CS..Hα-helixtrans-64.3-29.8179-23.234.4000113.9T14 V15 M18 Y470 L476T14-P472 HydrophobicContact CG2-CB 4.26Å; T14-P472 HydrophobicContact CG2-CG 3.89Å; V15-P472 HydrophobicContact CG2-CG 4.06Å; M18-P472 WeakPolarHBondContact CE-O 3.5Å; Y470-P472 HydrophobicContact CD1-CB 4.38Å; Y470-P472 HydrophobicContact CD1-CG 4.31Å; Y470-P472 HydrophobicContact CE1-CB 3.89Å; Y470-P472 HydrophobicContact CE1-CG 3.78Å; P472-L476 PolarHBondContact O-N 3.07Å
473I93.8Very high92.1Very high78 Ų7858.9 Ų58.940%0.430%0.298SS..Hα-helixtrans-82.4-36.2174-65.9169000110.1P458 M462 Y470 L471 L476P458-I473 HydrophobicContact CB-CG2 3.56Å; P458-I473 HydrophobicContact CG-CG2 4.32Å; M462-I473 HydrophobicContact CE-CB 4.22Å; M462-I473 HydrophobicContact CE-CG2 3.78Å; Y470-I473 HydrophobicContact CD1-CB 3.98Å; Y470-I473 HydrophobicContact CD1-CD1 3.59Å; Y470-I473 HydrophobicContact CD1-CG1 3.61Å; Y470-I473 HydrophobicContact CE1-CD1 4.06Å; Y470-I473 HydrophobicContact CE1-CG1 4.03Å; Y470-I473 HydrophobicContact CG-CD1 4.49Å; Y470-I473 PolarHBondContact O-N 2.72Å; L471-I473 VanDerWaalsContact C-N 3.29Å; L471-I473 PolarHBondContact O-N 3.17Å; I473-L476 VanDerWaalsContact O-CB 3.29Å; I473-L476 WeakPolarHBondContact O-CB 3.43Å; I473-L476 PolarHBondContact O-N 3.12Å
474F93.1Very high92.5Very high46 Ų4656.4 Ų56.420%0.20228%0.278CS..Hα-helixtrans-61.1-46.8176.8179.8-101.7000111.3A459 M462 L469 Y470 L471 L476 Y477A459-F474 HydrophobicContact CB-CD2 4.07Å; A459-F474 HydrophobicContact CB-CE2 4.27Å; M462-F474 HydrophobicContact CB-CD2 4.32Å; M462-F474 HydrophobicContact CE-CB 3.88Å; M462-F474 HydrophobicContact CE-CD2 4.38Å; M462-F474 HydrophobicContact SD-CB 4.28Å; L469-F474 HydrophobicContact CD1-CB 3.86Å; L469-F474 HydrophobicContact CD1-CD1 4.49Å; L469-F474 HydrophobicContact CD1-CD2 3.83Å; L469-F474 HydrophobicContact CD1-CG 3.81Å; Y470-F474 PolarHBondContact O-N 3.13Å; L471-F474 PolarHBondContact O-N 3.41Å; F474-L476 VanDerWaalsContact C-N 3.29Å; F474-L476 PolarHBondContact O-N 2.89Å; F474-Y477 WeakPolarHBondContact O-CD1 3.41Å; F474-Y477 WeakPolarHBondContact O-CE1 3.2Å
475Y94.7Very high92.8Very high10 Ų1052.2 Ų52.24%0.03926%0.257CS..G310 helixtrans-82.52.5179.4-69.1-57.3000115V15 T68 E72 L471 Y477 Y478V15-Y475 HydrophobicContact CG1-CD2 3.62Å; V15-Y475 HydrophobicContact CG1-CE2 4.24Å; V15-Y475 HydrophobicContact CG1-CG 4.33Å; V15-Y475 HydrophobicContact CG2-CD2 4.29Å; T68-Y475 HydrophobicContact CG2-CD1 3.96Å; T68-Y475 HydrophobicContact CG2-CE1 3.54Å; E72-Y475 VanDerWaalsContact CD-OH 3.23Å; E72-Y475 HydrophobicContact CG-CE2 3.88Å; E72-Y475 PolarHBondContact OE1-OH 3.27Å; L471-Y475 HydrophobicContact CB-CD2 4.2Å; L471-Y475 HydrophobicContact CB-CE2 4.32Å; L471-Y475 HydrophobicContact CD2-CE2 4.13Å; L471-Y475 WeakPolarHBondContact O-CD2 3.18Å; L471-Y475 PolarHBondContact O-N 3.43Å; Y475-Y477 HydrophobicContact CD1-CE1 4.45Å; Y475-Y477 PolarHBondContact O-N 3.37Å; Y475-Y478 HydrophobicContact CD1-CD2 4.01Å; Y475-Y478 AromaticContact CD1-CE2 3.67Å; Y475-Y478 HydrophobicContact CD1-CE2 3.67Å; Y475-Y478 HydrophobicContact CE1-CE2 4.26Å; Y475-Y478 PolarHBondContact O-N 3.04Å; Y475-Y478 VanDerWaalsContact O-N 3.11Å
476L94.2Very high93.1Very high60 Ų6047.3 Ų47.331%0.31424%0.236SC..G310 helixtrans-61.8-26-178.6-173.959.1000113M18 T455 P472 I473 F474 Y478 I479M18-L476 HydrophobicContact SD-CD1 4.37Å; T455-L476 HydrophobicContact CG2-CG 4.48Å; P472-L476 PolarHBondContact O-N 3.07Å; I473-L476 VanDerWaalsContact O-CB 3.29Å; I473-L476 WeakPolarHBondContact O-CB 3.43Å; I473-L476 PolarHBondContact O-N 3.12Å; F474-L476 VanDerWaalsContact C-N 3.29Å; F474-L476 PolarHBondContact O-N 2.89Å; L476-Y478 PolarHBondContact O-N 3.07Å; L476-Y478 VanDerWaalsContact O-N 3.1Å; L476-I479 WeakPolarHBondContact O-CB 3.33Å; L476-I479 WeakPolarHBondContact O-CG2 3.34Å; L476-I479 PolarHBondContact O-N 3.39Å; L476-I479 VanDerWaalsContact O-N 3.14Å
477Y93.4Very high93.3Very high17 Ų1739 Ų397%0.06720%0.204CC..G310 helixtrans-60.9-18176.268.7-99.7000113.9I95 F456 A459 F474 Y475 I479 N480I95-Y477 HydrophobicContact CD1-CE2 4.07Å; F456-Y477 HydrophobicContact CD2-CD1 4.27Å; F456-Y477 HydrophobicContact CD2-CD2 4.21Å; F456-Y477 AromaticContact CD2-CG 3.82Å; F456-Y477 HydrophobicContact CD2-CG 3.82Å; F456-Y477 HydrophobicContact CE2-CD2 4.35Å; F456-Y477 HydrophobicContact CE2-CG 4.26Å; A459-Y477 HydrophobicContact CB-CD1 3.76Å; A459-Y477 HydrophobicContact CB-CE1 4.17Å; F474-Y477 WeakPolarHBondContact O-CD1 3.41Å; F474-Y477 WeakPolarHBondContact O-CE1 3.2Å; Y475-Y477 HydrophobicContact CD1-CE1 4.45Å; Y475-Y477 PolarHBondContact O-N 3.37Å; Y477-I479 PolarHBondContact O-N 3.36Å; Y477-N480 WeakPolarHBondContact O-CB 3.43Å; Y477-N480 PolarHBondContact O-N 2.97Å; Y477-N480 PolarHBondContact O-ND2 3.03Å
478Y95.5Very high93.3Very high1 Ų136.1 Ų36.10%0.00419%0.187CC..G310 helixtrans-63.9-20.2175.8-82-59.5000113.4L19 I22 L64 I65 T68 Y475 L476 N480 N481L19-Y478 HydrophobicContact CD2-CD2 3.68Å; L19-Y478 HydrophobicContact CD2-CG 4.06Å; I22-Y478 WeakPolarHBondContact CG2-O 3.34Å; L64-Y478 WeakPolarHBondContact CD1-OH 3.38Å; L64-Y478 HydrophobicContact CD2-CE1 3.78Å; L64-Y478 HydrophobicContact CG-CE1 3.75Å; L64-Y478 WeakPolarHBondContact CG-OH 3.15Å; I65-Y478 HydrophobicContact CD1-CD1 3.94Å; I65-Y478 HydrophobicContact CD1-CG 4.23Å; I65-Y478 HydrophobicContact CG1-CD1 3.54Å; I65-Y478 HydrophobicContact CG1-CE1 3.96Å; I65-Y478 HydrophobicContact CG1-CG 4Å; T68-Y478 HydrophobicContact CG2-CE2 4Å; T68-Y478 PolarHBondContact OG1-OH 3.48Å; Y475-Y478 HydrophobicContact CD1-CD2 4.01Å; Y475-Y478 AromaticContact CD1-CE2 3.67Å; Y475-Y478 HydrophobicContact CD1-CE2 3.67Å; Y475-Y478 HydrophobicContact CE1-CE2 4.26Å; Y475-Y478 PolarHBondContact O-N 3.04Å; Y475-Y478 VanDerWaalsContact O-N 3.11Å; L476-Y478 PolarHBondContact O-N 3.07Å; L476-Y478 VanDerWaalsContact O-N 3.1Å; Y478-N480 PolarHBondContact O-N 2.94Å; Y478-N480 VanDerWaalsContact O-N 3.09Å; Y478-N481 PolarHBondContact O-N 3.35Å; Y478-N481 VanDerWaalsContact O-N 3.16Å; Y478-N481 PolarHBondContact O-ND2 3.08Å
479I95.3Very high93.4Very high51 Ų5131.7 Ų31.726%0.26216%0.162SC..G310 helixtrans-57.6-24.5175.9-158.5173.4000113.2I22 V451 T455 L476 Y477 N481 A482 I483I22-I479 HydrophobicContact CD1-CB 4.24Å; V451-I479 HydrophobicContact CG1-CG2 4.32Å; T455-I479 HydrophobicContact CG2-CG2 3.71Å; L476-I479 WeakPolarHBondContact O-CB 3.33Å; L476-I479 WeakPolarHBondContact O-CG2 3.34Å; L476-I479 PolarHBondContact O-N 3.39Å; L476-I479 VanDerWaalsContact O-N 3.14Å; Y477-I479 PolarHBondContact O-N 3.36Å; I479-N481 PolarHBondContact O-N 3.06Å; I479-A482 PolarHBondContact O-N 3.02Å; I479-I483 WeakPolarHBondContact O-CB 3.42Å; I479-I483 WeakPolarHBondContact O-CG2 3.41Å; I479-I483 PolarHBondContact O-N 3.36Å
480N93.6Very high93.4Very high10 Ų1035.5 Ų35.55%0.05318%0.175CC..Hα-helixtrans-59-35.8178.3-68.5-56.7000112.8Y452 T455 Y477 Y478 A482 N484Y452-N480 WeakPolarHBondContact CA-OD1 3.29Å; Y452-N480 HydrophobicContact CD2-CB 4.39Å; Y452-N480 PolarHBondContact N-OD1 2.83Å; Y452-N480 VanDerWaalsContact N-OD1 3.11Å; T455-N480 PolarHBondContact OG1-ND2 2.94Å; Y477-N480 WeakPolarHBondContact O-CB 3.43Å; Y477-N480 PolarHBondContact O-N 2.97Å; Y477-N480 PolarHBondContact O-ND2 3.03Å; Y478-N480 PolarHBondContact O-N 2.94Å; Y478-N480 VanDerWaalsContact O-N 3.09Å; N480-A482 PolarHBondContact O-N 3.45Å; N480-N484 PolarHBondContact O-ND2 2.91Å
481N95.9Very high93.2Very high17 Ų1733.4 Ų33.49%0.09117%0.17CC..Hα-helixtrans-72.2-15.4177.5-48-83.6000112.4N30 D57 A60 Y478 I479N30-N481 PolarHBondContact ND2-O 3.04Å; D57-N481 HydrophobicContact CB-CB 4.23Å; A60-N481 HydrophobicContact CB-CB 4.44Å; A60-N481 VanDerWaalsContact CB-OD1 3.27Å; A60-N481 WeakPolarHBondContact CB-OD1 3.5Å; Y478-N481 PolarHBondContact O-N 3.35Å; Y478-N481 VanDerWaalsContact O-N 3.16Å; Y478-N481 PolarHBondContact O-ND2 3.08Å; I479-N481 PolarHBondContact O-N 3.06Å
482A96.3Very high92.8Very high4 Ų434 Ų343%0.03317%0.173CC..Hα-helixtrans-111.5-23.3-175.100000114.4I22 I25 I479 N480I22-A482 HydrophobicContact CG2-CB 3.8Å; I22-A482 VanDerWaalsContact O-CB 3.27Å; I22-A482 WeakPolarHBondContact O-CB 3.38Å; I25-A482 HydrophobicContact CB-CB 4.31Å; I25-A482 HydrophobicContact CG2-CB 4.17Å; I479-A482 PolarHBondContact O-N 3.02Å; N480-A482 PolarHBondContact O-N 3.45Å
483I95.1Very high92.3Very high33 Ų3341.7 Ų41.717%0.16920%0.2CC..Hα-helixtrans-82.7-22.4-170.7-159.2165.6000113.8V451 I479 I486 I487V451-I483 HydrophobicContact CG1-CD1 4.13Å; V451-I483 HydrophobicContact CG1-CG2 4.26Å; V451-I483 HydrophobicContact CG2-CD1 4.27Å; I479-I483 WeakPolarHBondContact O-CB 3.42Å; I479-I483 WeakPolarHBondContact O-CG2 3.41Å; I479-I483 PolarHBondContact O-N 3.36Å; I483-I486 WeakPolarHBondContact O-CA 3.39Å; I483-I486 WeakPolarHBondContact O-CB 3.45Å; I483-I486 PolarHBondContact O-N 3.33Å; I483-I487 HydrophobicContact CB-CD1 4.48Å; I483-I487 HydrophobicContact CG1-CD1 4.08Å; I483-I487 HydrophobicContact CG1-CG1 4.09Å; I483-I487 HydrophobicContact CG2-CD1 3.91Å; I483-I487 WeakPolarHBondContact O-CG1 3.41Å; I483-I487 PolarHBondContact O-N 3.44Å
484N92.7Very high91.7Very high3 Ų340.5 Ų40.52%0.01620%0.195CC..Hα-helixtrans-54.9-48.1-175.9-66.7-25.7000113.5D57 V448 N480 I486 I487 Y488D57-N484 PolarHBondContact OD2-ND2 3.27Å; V448-N484 WeakPolarHBondContact CG1-OD1 3.36Å; V448-N484 VanDerWaalsContact CG2-OD1 3.24Å; V448-N484 WeakPolarHBondContact CG2-OD1 3.33Å; N480-N484 PolarHBondContact O-ND2 2.91Å; N484-I486 VanDerWaalsContact C-N 3.3Å; N484-I486 PolarHBondContact O-N 3.08Å; N484-I487 PolarHBondContact O-N 2.98Å; N484-Y488 VanDerWaalsContact C-CD2 3.46Å; N484-Y488 HydrophobicContact CB-CE2 3.98Å; N484-Y488 WeakPolarHBondContact O-CD2 3.34Å; N484-Y488 PolarHBondContact O-N 3.01Å
485P92.7Very high91.4Very high15 Ų1538.5 Ų38.510%0.09719%0.186CC..Hα-helixtrans-51-41.7170.7-29.136.8000114.7G29 N30 V33 G489G29-P485 VanDerWaalsContact CA-CG 3.46Å; G29-P485 WeakPolarHBondContact O-CG 3.37Å; N30-P485 WeakPolarHBondContact OD1-CD 3.26Å; N30-P485 WeakPolarHBondContact OD1-CG 3.44Å; V33-P485 HydrophobicContact CG2-CB 4.29Å; V33-P485 HydrophobicContact CG2-CG 4.07Å; P485-G489 PolarHBondContact O-N 3.02Å
486I93.2Very high91.1Very high79 Ų7943.9 Ų43.941%0.40521%0.206SC..Hα-helixtrans-66.4-47179.2-55.8176.5000109.7I25 I483 N484 Y488 G489 F490I25-I486 HydrophobicContact CG2-CD1 4.23Å; I483-I486 WeakPolarHBondContact O-CA 3.39Å; I483-I486 WeakPolarHBondContact O-CB 3.45Å; I483-I486 PolarHBondContact O-N 3.33Å; N484-I486 VanDerWaalsContact C-N 3.3Å; N484-I486 PolarHBondContact O-N 3.08Å; I486-Y488 PolarHBondContact O-N 3.33Å; I486-G489 PolarHBondContact O-N 2.97Å; I486-G489 VanDerWaalsContact O-N 3.14Å; I486-F490 HydrophobicContact CG2-CD2 3.82Å; I486-F490 HydrophobicContact CG2-CE2 3.8Å; I486-F490 WeakPolarHBondContact O-CD2 3.35Å; I486-F490 PolarHBondContact O-N 3.37Å
487I93.1Very high90.8Very high12 Ų1244.1 Ų44.16%0.06221%0.211CC..Hα-helixtrans-65-40.5179.6-52.9165.4000110.6M444 V447 V448 I483 N484 G489 F490 M491M444-I487 HydrophobicContact CE-CB 3.91Å; M444-I487 HydrophobicContact CE-CG2 3.85Å; M444-I487 HydrophobicContact CG-CG2 3.78Å; V447-I487 HydrophobicContact CB-CG2 4.07Å; V447-I487 HydrophobicContact CG1-CD1 4.07Å; V447-I487 HydrophobicContact CG1-CG1 4.33Å; V447-I487 HydrophobicContact CG1-CG2 3.97Å; V448-I487 HydrophobicContact CG2-CD1 3.84Å; I483-I487 HydrophobicContact CB-CD1 4.48Å; I483-I487 HydrophobicContact CG1-CD1 4.08Å; I483-I487 HydrophobicContact CG1-CG1 4.09Å; I483-I487 HydrophobicContact CG2-CD1 3.91Å; I483-I487 WeakPolarHBondContact O-CG1 3.41Å; I483-I487 PolarHBondContact O-N 3.44Å; N484-I487 PolarHBondContact O-N 2.98Å; I487-G489 VanDerWaalsContact C-N 3.34Å; I487-G489 PolarHBondContact O-N 2.87Å; I487-F490 PolarHBondContact O-N 3.24Å; I487-M491 HydrophobicContact CG2-CG 4.24Å; I487-M491 HydrophobicContact CG2-SD 3.61Å; I487-M491 WeakPolarHBondContact O-CB 3.45Å; I487-M491 PolarHBondContact O-N 3.42Å
488Y91.3Very high90.4Very high1 Ų145.7 Ų45.70%0.00422%0.22CC..Hα-helixtrans-58.3-46.1171.5-66.5-60.6000111.1V33 I50 M444 N484 I486 N492 F495V33-Y488 HydrophobicContact CG1-CD2 4.25Å; V33-Y488 HydrophobicContact CG1-CE2 3.87Å; V33-Y488 HydrophobicContact CG2-CD2 3.58Å; V33-Y488 HydrophobicContact CG2-CE2 3.87Å; I50-Y488 HydrophobicContact CD1-CE1 4.07Å; I50-Y488 HydrophobicContact CG1-CE1 4.08Å; I50-Y488 HydrophobicContact CG2-CE1 3.96Å; I50-Y488 HydrophobicContact CG2-CE2 4.4Å; I50-Y488 WeakPolarHBondContact CG2-OH 3.46Å; M444-Y488 HydrophobicContact CE-CD1 3.32Å; M444-Y488 HydrophobicContact CE-CD2 4.18Å; M444-Y488 HydrophobicContact CE-CE1 3.22Å; M444-Y488 HydrophobicContact CE-CE2 4.09Å; M444-Y488 HydrophobicContact CE-CG 3.78Å; M444-Y488 HydrophobicContact CG-CD1 4.35Å; M444-Y488 HydrophobicContact SD-CD1 3.44Å; M444-Y488 WeakPolarHBondContact SD-CD1 3.49Å; M444-Y488 HydrophobicContact SD-CE1 3.31Å; M444-Y488 WeakPolarHBondContact SD-CE1 3.49Å; M444-Y488 HydrophobicContact SD-CG 4.42Å; N484-Y488 VanDerWaalsContact C-CD2 3.46Å; N484-Y488 HydrophobicContact CB-CE2 3.98Å; N484-Y488 WeakPolarHBondContact O-CD2 3.34Å; N484-Y488 PolarHBondContact O-N 3.01Å; I486-Y488 PolarHBondContact O-N 3.33Å; Y488-N492 WeakPolarHBondContact O-CA 3.28Å; Y488-N492 VanDerWaalsContact O-CB 3.31Å; Y488-N492 WeakPolarHBondContact O-CB 3.35Å; Y488-N492 PolarHBondContact O-N 3.06Å; Y488-F495 VanDerWaalsContact CB-CD1 3.46Å; Y488-F495 VanDerWaalsContact CB-CE1 3.44Å; Y488-F495 HydrophobicContact CG-CE1 4.49Å
489G90.3Very high90.1Very high21 Ų2147 Ų4722%0.21623%0.227CC..Hα-helixtrans-58.6-46.9179.100000113.8P485 I486 I487 R496P485-G489 PolarHBondContact O-N 3.02Å; I486-G489 PolarHBondContact O-N 2.97Å; I486-G489 VanDerWaalsContact O-N 3.14Å; I487-G489 VanDerWaalsContact C-N 3.34Å; I487-G489 PolarHBondContact O-N 2.87Å; G489-R496 WeakPolarHBondContact O-CD 3.39Å; G489-R496 WeakPolarHBondContact O-CG 3.32Å; G489-R496 PolarHBondContact O-NE 3.12Å; G489-R496 VanDerWaalsContact O-NE 3.07Å
490F90Very high89.7Confident160 Ų16050.3 Ų50.370%0.70224%0.241SC*.Hα-helixtrans-72-46.3178.7-81.2-78.6000112.9I486 I487I486-F490 HydrophobicContact CG2-CD2 3.82Å; I486-F490 HydrophobicContact CG2-CE2 3.8Å; I486-F490 WeakPolarHBondContact O-CD2 3.35Å; I486-F490 PolarHBondContact O-N 3.37Å; I487-F490 PolarHBondContact O-N 3.24Å
491M87Confident89.5Confident64 Ų6454.2 Ų54.232%0.31526%0.262SS..Hα-helixtrans-94.2-32.1-166.3-59.8-174.270.500114.3S443 M444 V447 I487S443-M491 WeakPolarHBondContact O-CE 3.42Å; M444-M491 HydrophobicContact CB-CB 3.95Å; M444-M491 HydrophobicContact CB-CE 4.29Å; M444-M491 HydrophobicContact CB-SD 4.12Å; M444-M491 HydrophobicContact CG-CB 4.05Å; M444-M491 HydrophobicContact CG-SD 4.37Å; V447-M491 HydrophobicContact CB-SD 4.1Å; V447-M491 HydrophobicContact CG2-CE 3.97Å; V447-M491 HydrophobicContact CG2-SD 3.76Å; I487-M491 HydrophobicContact CG2-CG 4.24Å; I487-M491 HydrophobicContact CG2-SD 3.61Å; I487-M491 WeakPolarHBondContact O-CB 3.45Å; I487-M491 PolarHBondContact O-N 3.42Å
492N83.6Confident89Confident19 Ų1955.3 Ų55.310%0.10227%0.268CS..  trans-97106.6-177.1-170.6-5.7000111.4Y37 Y488 N494 F495 R496Y37-N492 PolarHBondContact OH-ND2 3.08Å; Y488-N492 WeakPolarHBondContact O-CA 3.28Å; Y488-N492 VanDerWaalsContact O-CB 3.31Å; Y488-N492 WeakPolarHBondContact O-CB 3.35Å; Y488-N492 PolarHBondContact O-N 3.06Å; N492-N494 VanDerWaalsContact C-N 3.35Å; N492-N494 WeakPolarHBondContact OD1-CB 3.33Å; N492-N494 PolarHBondContact OD1-N 3.41Å; N492-F495 HydrophobicContact CB-CB 3.81Å; N492-F495 PolarHBondContact OD1-N 3.36Å; N492-R496 PolarHBondContact O-N 3.04Å
493R83.7Confident88.4Confident174 Ų17459.5 Ų59.566%0.65729%0.288SS*.Hα-helixtrans-65.8-37175.4-175.9175.9179.1174.51.8112R496 T497R493-R496 PolarHBondContact O-N 2.98Å; R493-T497 PolarHBondContact O-N 3.32Å; R493-T497 VanDerWaalsContact O-N 3.09Å; R493-T497 PolarHBondContact O-OG1 3.24Å
494N81.8Confident87.9Confident54 Ų5461.5 Ų61.529%0.28930%0.304SS..Hα-helixtrans-62.7-51.7-179.3-62.823.1000109.2Q437 N492 R496 T497 D498Q437-N494 PolarHBondContact NE2-ND2 3.07Å; Q437-N494 VanDerWaalsContact NE2-ND2 3.1Å; N492-N494 VanDerWaalsContact C-N 3.35Å; N492-N494 WeakPolarHBondContact OD1-CB 3.33Å; N492-N494 PolarHBondContact OD1-N 3.41Å; N494-R496 VanDerWaalsContact C-N 3.27Å; N494-R496 PolarHBondContact O-N 3.26Å; N494-R496 VanDerWaalsContact O-N 3.15Å; N494-T497 CarbonylContact O-C 3.26Å; N494-T497 WeakPolarHBondContact O-CA 3.31Å; N494-T497 WeakPolarHBondContact O-CB 3.31Å; N494-T497 PolarHBondContact O-N 2.82Å; N494-D498 PolarHBondContact O-N 3.07Å; N494-D498 VanDerWaalsContact O-OD2 3.09Å
495F85.2Confident87.3Confident4 Ų466.6 Ų66.62%0.01833%0.328CS..Hα-helixtrans-49.6-43.4176.4-179.6-110.6000113.5V33 V36 Y37 Y488 N492 D498 I499V33-F495 HydrophobicContact CG2-CE2 3.96Å; V33-F495 HydrophobicContact CG2-CZ 3.74Å; V36-F495 HydrophobicContact CB-CD2 4.21Å; V36-F495 HydrophobicContact CB-CE2 4.01Å; V36-F495 HydrophobicContact CG1-CD2 3.66Å; V36-F495 HydrophobicContact CG1-CE2 3.99Å; V36-F495 HydrophobicContact CG2-CD2 4.48Å; V36-F495 HydrophobicContact CG2-CE2 4.13Å; Y37-F495 HydrophobicContact CD2-CD2 4.32Å; Y37-F495 HydrophobicContact CD2-CE2 4.38Å; Y37-F495 AromaticContact CE2-CD2 3.52Å; Y37-F495 HydrophobicContact CE2-CD2 3.52Å; Y37-F495 AromaticContact CE2-CE2 3.83Å; Y37-F495 HydrophobicContact CE2-CE2 3.83Å; Y488-F495 VanDerWaalsContact CB-CD1 3.46Å; Y488-F495 VanDerWaalsContact CB-CE1 3.44Å; Y488-F495 HydrophobicContact CG-CE1 4.49Å; N492-F495 HydrophobicContact CB-CB 3.81Å; N492-F495 PolarHBondContact OD1-N 3.36Å; F495-D498 PolarHBondContact O-N 2.77Å; F495-I499 HydrophobicContact CD1-CD1 3.74Å; F495-I499 HydrophobicContact CD2-CD1 4.34Å; F495-I499 HydrophobicContact CE1-CD1 3.41Å; F495-I499 VanDerWaalsContact CE1-CD1 3.41Å; F495-I499 HydrophobicContact CE2-CD1 4.03Å; F495-I499 HydrophobicContact CG-CD1 4.22Å; F495-I499 HydrophobicContact CZ-CD1 3.57Å; F495-I499 WeakPolarHBondContact O-CB 3.15Å; F495-I499 VanDerWaalsContact O-CG1 3.28Å; F495-I499 WeakPolarHBondContact O-CG1 3.33Å; F495-I499 PolarHBondContact O-N 3.15Å
496R88.6Confident86.4Confident122 Ų12273.5 Ų73.546%0.4636%0.356SS..Hα-helixtrans-65.3-41.1173.8-77.1-169.9-73-173.7-8.5113.5G489 N492 R493 N494 Q500G489-R496 WeakPolarHBondContact O-CD 3.39Å; G489-R496 WeakPolarHBondContact O-CG 3.32Å; G489-R496 PolarHBondContact O-NE 3.12Å; G489-R496 VanDerWaalsContact O-NE 3.07Å; N492-R496 PolarHBondContact O-N 3.04Å; R493-R496 PolarHBondContact O-N 2.98Å; N494-R496 VanDerWaalsContact C-N 3.27Å; N494-R496 PolarHBondContact O-N 3.26Å; N494-R496 VanDerWaalsContact O-N 3.15Å; R496-Q500 WeakPolarHBondContact O-CB 3.23Å; R496-Q500 WeakPolarHBondContact O-CG 3.43Å; R496-Q500 PolarHBondContact O-N 3.22Å
497T87.6Confident85.4Confident66 Ų6675.2 Ų75.241%0.40537%0.366SS..Hα-helixtrans-68-36.1175.7-65.50000111.8R493 N494 Q500 L501R493-T497 PolarHBondContact O-N 3.32Å; R493-T497 VanDerWaalsContact O-N 3.09Å; R493-T497 PolarHBondContact O-OG1 3.24Å; N494-T497 CarbonylContact O-C 3.26Å; N494-T497 WeakPolarHBondContact O-CA 3.31Å; N494-T497 WeakPolarHBondContact O-CB 3.31Å; N494-T497 PolarHBondContact O-N 2.82Å; T497-Q500 PolarHBondContact O-N 3.42Å; T497-L501 WeakPolarHBondContact O-CB 3.09Å; T497-L501 PolarHBondContact O-N 2.79Å
498D86.7Confident84.3Confident49 Ų4983.2 Ų83.226%0.26240%0.4SS..Hα-helixtrans-66.1-45.4175.9-55.2-33.2000109.9V36 N494 F495 L501 L502V36-D498 HydrophobicContact CG1-CB 3.7Å; N494-D498 PolarHBondContact O-N 3.07Å; N494-D498 VanDerWaalsContact O-OD2 3.09Å; F495-D498 PolarHBondContact O-N 2.77Å; D498-L501 PolarHBondContact O-N 3.14Å; D498-L502 WeakPolarHBondContact O-CG 3.42Å; D498-L502 PolarHBondContact O-N 3.06Å
499I87.8Confident82.6Confident30 Ų3088.7 Ų88.715%0.15444%0.438CS..Hα-helixtrans-58.9-47.9171.1-71.5166.1000111.7L32 V36 F495 L501 L502 I503L32-I499 HydrophobicContact CD1-CG1 4.28Å; L32-I499 HydrophobicContact CD2-CD1 3.82Å; L32-I499 HydrophobicContact CD2-CG1 4.32Å; L32-I499 HydrophobicContact CG-CD1 4.23Å; L32-I499 HydrophobicContact CG-CG1 4.35Å; V36-I499 HydrophobicContact CG2-CG1 3.68Å; F495-I499 HydrophobicContact CD1-CD1 3.74Å; F495-I499 HydrophobicContact CD2-CD1 4.34Å; F495-I499 HydrophobicContact CE1-CD1 3.41Å; F495-I499 VanDerWaalsContact CE1-CD1 3.41Å; F495-I499 HydrophobicContact CE2-CD1 4.03Å; F495-I499 HydrophobicContact CG-CD1 4.22Å; F495-I499 HydrophobicContact CZ-CD1 3.57Å; F495-I499 WeakPolarHBondContact O-CB 3.15Å; F495-I499 VanDerWaalsContact O-CG1 3.28Å; F495-I499 WeakPolarHBondContact O-CG1 3.33Å; F495-I499 PolarHBondContact O-N 3.15Å; I499-L501 VanDerWaalsContact C-N 3.27Å; I499-L501 PolarHBondContact O-N 2.78Å; I499-L502 PolarHBondContact O-N 2.75Å; I499-I503 HydrophobicContact CG2-CD1 3.66Å; I499-I503 HydrophobicContact CG2-CG1 4.34Å; I499-I503 WeakPolarHBondContact O-CG1 3.48Å; I499-I503 PolarHBondContact O-N 3.14Å
500Q88.6Confident80.6Confident119 Ų11997.8 Ų97.856%0.55648%0.477SS*.Hα-helixtrans-58.3-40.9177.7-78170.7-29.600111.3R496 T497 I503 C504R496-Q500 WeakPolarHBondContact O-CB 3.23Å; R496-Q500 WeakPolarHBondContact O-CG 3.43Å; R496-Q500 PolarHBondContact O-N 3.22Å; T497-Q500 PolarHBondContact O-N 3.42Å; Q500-I503 PolarHBondContact O-N 3.48Å; Q500-C504 VanDerWaalsContact O-CB 3.26Å; Q500-C504 WeakPolarHBondContact O-CB 3.43Å; Q500-C504 PolarHBondContact O-N 3.15Å; Q500-C504 PolarHBondContact O-SG 2.79Å
501L87.7Confident80.2Confident93 Ų9394.7 Ų94.749%0.48747%0.466SS..Hα-helixtrans-65.5-42.5177.2-177.1145.2000111.9T497 D498 I499 C504 Q505T497-L501 WeakPolarHBondContact O-CB 3.09Å; T497-L501 PolarHBondContact O-N 2.79Å; D498-L501 PolarHBondContact O-N 3.14Å; I499-L501 VanDerWaalsContact C-N 3.27Å; I499-L501 PolarHBondContact O-N 2.78Å; L501-C504 PolarHBondContact O-N 3.06Å; L501-Q505 HydrophobicContact CD2-CG 4.39Å; L501-Q505 WeakPolarHBondContact O-CB 3.11Å; L501-Q505 VanDerWaalsContact O-CG 3.28Å; L501-Q505 WeakPolarHBondContact O-CG 3.39Å; L501-Q505 PolarHBondContact O-N 2.71Å
502L85.5Confident79.8Confident40 Ų4096.3 Ų96.321%0.20947%0.474CS..Hα-helixtrans-64.2-42.2175.6-66.3174.6000112.6I35 V36 L39 D498 I499 Q505 K506I35-L502 HydrophobicContact CG2-CD1 4.03Å; V36-L502 HydrophobicContact CG2-CD1 3.75Å; L39-L502 HydrophobicContact CD1-CD1 4.27Å; L39-L502 HydrophobicContact CD1-CD2 3.51Å; D498-L502 WeakPolarHBondContact O-CG 3.42Å; D498-L502 PolarHBondContact O-N 3.06Å; I499-L502 PolarHBondContact O-N 2.75Å; L502-Q505 PolarHBondContact O-N 2.86Å; L502-K506 PolarHBondContact O-N 3.49Å
503I85.2Confident79.6Confident92 Ų92100.6 Ų100.647%0.47249%0.494SS..Hα-helixtrans-65.1-47.8176.1-67.6172.1000110.1I499 Q500 Q505 K506 L507I499-I503 HydrophobicContact CG2-CD1 3.66Å; I499-I503 HydrophobicContact CG2-CG1 4.34Å; I499-I503 WeakPolarHBondContact O-CG1 3.48Å; I499-I503 PolarHBondContact O-N 3.14Å; Q500-I503 PolarHBondContact O-N 3.48Å; I503-Q505 VanDerWaalsContact C-N 3.27Å; I503-Q505 PolarHBondContact O-N 3.21Å; I503-K506 PolarHBondContact O-N 3.38Å; I503-L507 HydrophobicContact CG2-CD1 3.67Å; I503-L507 HydrophobicContact CG2-CG 4.26Å; I503-L507 WeakPolarHBondContact O-CB 3.34Å; I503-L507 WeakPolarHBondContact O-CG 3.44Å; I503-L507 PolarHBondContact O-N 3.42Å
504C84.4Confident79.4Confident75 Ų7596.2 Ų96.251%0.50749%0.485SS..Hα-helixtrans-68-21.7177.7-71.30000114Q500 L501 K508Q500-C504 VanDerWaalsContact O-CB 3.26Å; Q500-C504 WeakPolarHBondContact O-CB 3.43Å; Q500-C504 PolarHBondContact O-N 3.15Å; Q500-C504 PolarHBondContact O-SG 2.79Å; L501-C504 PolarHBondContact O-N 3.06Å; C504-K508 WeakPolarHBondContact O-CB 3.2Å; C504-K508 VanDerWaalsContact O-CG 3.29Å; C504-K508 WeakPolarHBondContact O-CG 3.16Å; C504-K508 PolarHBondContact O-N 2.97Å
505Q79.3Confident79.2Confident109 Ų10998.9 Ų98.951%0.50950%0.497SS..Hα-helixtrans-73.8-49.3169.4-80.7176.3-22.600110.8L501 L502 I503 L507 K508 C509L501-Q505 HydrophobicContact CD2-CG 4.39Å; L501-Q505 WeakPolarHBondContact O-CB 3.11Å; L501-Q505 VanDerWaalsContact O-CG 3.28Å; L501-Q505 WeakPolarHBondContact O-CG 3.39Å; L501-Q505 PolarHBondContact O-N 2.71Å; L502-Q505 PolarHBondContact O-N 2.86Å; I503-Q505 VanDerWaalsContact C-N 3.27Å; I503-Q505 PolarHBondContact O-N 3.21Å; Q505-L507 PolarHBondContact O-N 3.29Å; Q505-K508 PolarHBondContact O-N 2.92Å; Q505-K508 VanDerWaalsContact O-N 3.09Å; Q505-C509 PolarHBondContact O-N 3.13Å; Q505-C509 PolarHBondContact O-SG 3.06Å
506K73.3Confident78.8Confident160 Ų160105.2 Ų105.270%0.69653%0.529SS*.Hα-helixtrans-60.3-44.6175.6-78.6-161.6169.9-166.30112.5L502 I503 K508 C509 M510L502-K506 PolarHBondContact O-N 3.49Å; I503-K506 PolarHBondContact O-N 3.38Å; K506-K508 PolarHBondContact O-N 3.43Å; K506-K508 VanDerWaalsContact O-N 3.1Å; K506-C509 CarbonylContact O-C 3.37Å; K506-C509 PolarHBondContact O-N 3.17Å; K506-M510 PolarHBondContact O-N 3.07Å; K506-M510 VanDerWaalsContact O-N 3.13Å
507L72.6Confident78.1Confident116 Ų116104 Ų10461%0.60753%0.534SS*.THydrogen-bonded Turntrans-72.36.4176.2-64.1177.1000114.7I503 Q505I503-L507 HydrophobicContact CG2-CD1 3.67Å; I503-L507 HydrophobicContact CG2-CG 4.26Å; I503-L507 WeakPolarHBondContact O-CB 3.34Å; I503-L507 WeakPolarHBondContact O-CG 3.44Å; I503-L507 PolarHBondContact O-N 3.42Å; Q505-L507 PolarHBondContact O-N 3.29Å
508K70.4Confident77.4Confident179 Ų179106.9 Ų106.978%0.77854%0.544SS*.THydrogen-bonded Turntrans-117.72167.5-76.7-176.1173.7-169.70112.9C504 Q505 K506C504-K508 WeakPolarHBondContact O-CB 3.2Å; C504-K508 VanDerWaalsContact O-CG 3.29Å; C504-K508 WeakPolarHBondContact O-CG 3.16Å; C504-K508 PolarHBondContact O-N 2.97Å; Q505-K508 PolarHBondContact O-N 2.92Å; Q505-K508 VanDerWaalsContact O-N 3.09Å; K506-K508 PolarHBondContact O-N 3.43Å; K506-K508 VanDerWaalsContact O-N 3.1Å
509C55.9Low76.6Confident117 Ų117111.8 Ų111.879%0.79157%0.567SS**  trans-122.710.8174.9-61.20000111.6Q505 K506Q505-C509 PolarHBondContact O-N 3.13Å; Q505-C509 PolarHBondContact O-SG 3.06Å; K506-C509 CarbonylContact O-C 3.37Å; K506-C509 PolarHBondContact O-N 3.17Å
510M48.9Very low75.6Confident211 Ų211119.2 Ų119.2100%1.03961%0.605SS**  trans-118.50162.8-64.1-177.570.400107.2K506K506-M510 PolarHBondContact O-N 3.07Å; K506-M510 VanDerWaalsContact O-N 3.13Å

Retrieved 510 of 510 residues in 708.1 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).