A0A077ZCW8_TRITR Loading...

Calcium and integrin binding family

AlphaFold DB , UniProt , Accession A0A077ZCW8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 203 aa.

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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
1M46.4Very low51.6Low237 Ų237123.2 Ų123.2100%1.16763%0.625SS**  010.90-74178.7178.300114.6
2G49.4Very low51.8Low58 Ų58118.6 Ų118.660%0.59860%0.6SS**  trans-82.6-19.3-173.400000118
3N48Very low51.9Low129 Ų129120.2 Ų120.269%0.6961%0.606SS**Hα-helixtrans-79.6-26.7-172.2-81-5.5000114.8N7N3-N7 VanDerWaalsContact O-CB 3.29Å; N3-N7 WeakPolarHBondContact O-CB 3.27Å; N3-N7 VanDerWaalsContact O-CG 3.25Å; N3-N7 PolarHBondContact O-N 2.82Å; N3-N7 PolarHBondContact O-ND2 2.85Å
4S59.8Low51.9Low78 Ų78118.2 Ų118.255%0.54560%0.598SS.*Hα-helixtrans-70.6-44.8-175.2176.70000112.6R8S4-R8 WeakPolarHBondContact O-CB 3.31Å; S4-R8 PolarHBondContact O-N 3.29Å
5L53.1Low52.1Low122 Ų122113.3 Ų113.364%0.63957%0.574SS**Hα-helixtrans-68.7-39.5179.3-73.3168.4000112.2R8 R9L5-R8 PolarHBondContact O-N 3.03Å; L5-R9 PolarHBondContact O-N 3.14Å
6F52.3Low52.2Low126 Ų126107.4 Ų107.455%0.55354%0.544SS*.Hα-helixtrans-66.3-45.2177.7-170.8-101.8000111.5R8 R9 L10F6-R8 PolarHBondContact O-N 3.3Å; F6-R9 PolarHBondContact O-N 3.42Å; F6-L10 HydrophobicContact CD1-CD1 3.68Å; F6-L10 HydrophobicContact CD1-CG 4.28Å; F6-L10 HydrophobicContact CE1-CD1 3.32Å; F6-L10 HydrophobicContact CE1-CG 4.03Å; F6-L10 HydrophobicContact CZ-CD1 4.04Å; F6-L10 HydrophobicContact CZ-CG 4.36Å; F6-L10 PolarHBondContact O-N 3Å
7N46.2Very low52.4Low83 Ų83112.7 Ų112.744%0.44456%0.555SS.*Hα-helixtrans-64.8-37.1175.1-73.8-21.9000112.4N3 L10 N11N3-N7 VanDerWaalsContact O-CB 3.29Å; N3-N7 WeakPolarHBondContact O-CB 3.27Å; N3-N7 VanDerWaalsContact O-CG 3.25Å; N3-N7 PolarHBondContact O-N 2.82Å; N3-N7 PolarHBondContact O-ND2 2.85Å; N7-L10 PolarHBondContact O-N 3.24Å; N7-N11 WeakPolarHBondContact O-CB 3.31Å; N7-N11 PolarHBondContact O-N 3.37Å
8R55.1Low52.6Low159 Ų159112.7 Ų112.760%0.656%0.558SS**Hα-helixtrans-61.3-44.9171.9-89.8-176171-176-2.7112.1S4 L5 F6 N11 Q12S4-R8 WeakPolarHBondContact O-CB 3.31Å; S4-R8 PolarHBondContact O-N 3.29Å; L5-R8 PolarHBondContact O-N 3.03Å; F6-R8 PolarHBondContact O-N 3.3Å; R8-N11 PolarHBondContact O-N 3.05Å; R8-Q12 WeakPolarHBondContact O-CG 3.27Å; R8-Q12 PolarHBondContact O-N 3.5Å
9R52.8Low52.9Low185 Ų185111.8 Ų111.870%0.69857%0.57SS**Hα-helixtrans-64.8-40.7176.8-78.2-175.9177.3-178.8-0.2112.4L5 F6 Q12 M13L5-R9 PolarHBondContact O-N 3.14Å; F6-R9 PolarHBondContact O-N 3.42Å; R9-Q12 PolarHBondContact O-N 3.14Å; R9-M13 WeakPolarHBondContact O-CB 3.33Å; R9-M13 PolarHBondContact O-N 3.34Å
10L50.6Low54.2Low65 Ų65108.1 Ų108.134%0.3456%0.561SS.*Hα-helixtrans-65.4-42.9175.4-77.5177.6000112F6 N7 Q12 M13 N14F6-L10 HydrophobicContact CD1-CD1 3.68Å; F6-L10 HydrophobicContact CD1-CG 4.28Å; F6-L10 HydrophobicContact CE1-CD1 3.32Å; F6-L10 HydrophobicContact CE1-CG 4.03Å; F6-L10 HydrophobicContact CZ-CD1 4.04Å; F6-L10 HydrophobicContact CZ-CG 4.36Å; F6-L10 PolarHBondContact O-N 3Å; N7-L10 PolarHBondContact O-N 3.24Å; L10-Q12 VanDerWaalsContact C-N 3.35Å; L10-Q12 PolarHBondContact O-N 2.78Å; L10-M13 PolarHBondContact O-N 2.91Å; L10-N14 WeakPolarHBondContact O-CB 3.47Å; L10-N14 VanDerWaalsContact O-CG 3.29Å; L10-N14 PolarHBondContact O-N 3.4Å; L10-N14 PolarHBondContact O-ND2 2.88Å
11N53.9Low55.8Low113 Ų113103.2 Ų103.260%0.60454%0.536SS*.Hα-helixtrans-63.1-40.8175.3-78-9.5000111.5N7 R8 L15N7-N11 WeakPolarHBondContact O-CB 3.31Å; N7-N11 PolarHBondContact O-N 3.37Å; R8-N11 PolarHBondContact O-N 3.05Å; N11-L15 WeakPolarHBondContact O-CB 3.25Å; N11-L15 PolarHBondContact O-N 3.04Å
12Q54Low57.9Low68 Ų6892.7 Ų92.732%0.31848%0.484SS..Hα-helixtrans-62.4-50.7171.4-75.5-173.331.400111.7R8 R9 L10 N14 L15 F16 Y49R8-Q12 WeakPolarHBondContact O-CG 3.27Å; R8-Q12 PolarHBondContact O-N 3.5Å; R9-Q12 PolarHBondContact O-N 3.14Å; L10-Q12 VanDerWaalsContact C-N 3.35Å; L10-Q12 PolarHBondContact O-N 2.78Å; Q12-N14 VanDerWaalsContact C-N 3.28Å; Q12-N14 PolarHBondContact O-N 2.75Å; Q12-L15 PolarHBondContact O-N 3.27Å; Q12-F16 HydrophobicContact CB-CD2 4.43Å; Q12-F16 HydrophobicContact CB-CE2 3.98Å; Q12-F16 HydrophobicContact CG-CE2 4.37Å; Q12-F16 WeakPolarHBondContact O-CD2 3.34Å; Q12-F16 WeakPolarHBondContact O-CE2 3.17Å; Q12-F16 PolarHBondContact O-N 2.98Å; Q12-Y49 HydrophobicContact CG-CE1 4.26Å
13M52.7Low59.9Low139 Ų13992 Ų9269%0.68547%0.467SS*.Hα-helixtrans-58.8-37.5179-89.9-179.881.900113.1R9 L10R9-M13 WeakPolarHBondContact O-CB 3.33Å; R9-M13 PolarHBondContact O-N 3.34Å; L10-M13 PolarHBondContact O-N 2.91Å
14N51.8Low61.9Low93 Ų9394.4 Ų94.450%0.49747%0.467SS..Hα-helixtrans-76-38178.5-73.4-22.8000112.2L10 Q12 F16 R17L10-N14 WeakPolarHBondContact O-CB 3.47Å; L10-N14 VanDerWaalsContact O-CG 3.29Å; L10-N14 PolarHBondContact O-N 3.4Å; L10-N14 PolarHBondContact O-ND2 2.88Å; Q12-N14 VanDerWaalsContact C-N 3.28Å; Q12-N14 PolarHBondContact O-N 2.75Å; N14-F16 PolarHBondContact O-N 2.98Å; N14-R17 PolarHBondContact O-N 3.12Å
15L55.4Low63.5Low45 Ų4596.5 Ų96.524%0.23647%0.468CS..Hα-helixtrans-58.3-39.4176.9-179.563.6000111.8N11 Q12 R17 Y49 A58N11-L15 WeakPolarHBondContact O-CB 3.25Å; N11-L15 PolarHBondContact O-N 3.04Å; Q12-L15 PolarHBondContact O-N 3.27Å; L15-R17 PolarHBondContact O-N 3.46Å; L15-Y49 HydrophobicContact CD2-CD2 4.26Å; L15-Y49 HydrophobicContact CD2-CE1 4.31Å; L15-Y49 HydrophobicContact CD2-CE2 3.79Å; L15-A58 HydrophobicContact CD1-CB 3.36Å; L15-A58 WeakPolarHBondContact CD1-O 3.41Å; L15-A58 HydrophobicContact CD2-CB 4.31Å; L15-A58 HydrophobicContact CG-CB 4.47Å
16F54.2Low65.3Low19 Ų1991.9 Ų91.98%0.08344%0.443CS..THydrogen-bonded Turntrans-91.412.9-175.8-55.7-64.3000115.3Q12 N14 N18 Y45 K46 Y49Q12-F16 HydrophobicContact CB-CD2 4.43Å; Q12-F16 HydrophobicContact CB-CE2 3.98Å; Q12-F16 HydrophobicContact CG-CE2 4.37Å; Q12-F16 WeakPolarHBondContact O-CD2 3.34Å; Q12-F16 WeakPolarHBondContact O-CE2 3.17Å; Q12-F16 PolarHBondContact O-N 2.98Å; N14-F16 PolarHBondContact O-N 2.98Å; F16-N18 PolarHBondContact O-N 3.37Å; F16-Y45 HydrophobicContact CD1-CD1 4.04Å; F16-Y45 AromaticContact CD1-CE1 3.97Å; F16-Y45 HydrophobicContact CD1-CE1 3.97Å; F16-Y45 AromaticContact CE1-CD1 3.67Å; F16-Y45 HydrophobicContact CE1-CD1 3.67Å; F16-Y45 AromaticContact CE1-CE1 3.48Å; F16-Y45 HydrophobicContact CE1-CE1 3.48Å; F16-Y45 VanDerWaalsContact CE1-CE1 3.48Å; F16-K46 HydrophobicContact CB-CD 4.41Å; F16-K46 HydrophobicContact CB-CG 4.33Å; F16-K46 HydrophobicContact CD1-CD 4.32Å; F16-K46 HydrophobicContact CD1-CG 3.38Å; F16-K46 HydrophobicContact CD2-CD 4.34Å; F16-K46 HydrophobicContact CD2-CG 3.8Å; F16-K46 HydrophobicContact CE1-CB 4.13Å; F16-K46 HydrophobicContact CE1-CG 3.44Å; F16-K46 VanDerWaalsContact CE1-CG 3.44Å; F16-K46 HydrophobicContact CE2-CG 3.91Å; F16-K46 HydrophobicContact CG-CD 4.13Å; F16-K46 VanDerWaalsContact CG-CE 3.43Å; F16-K46 HydrophobicContact CG-CG 3.58Å; F16-K46 HydrophobicContact CZ-CB 4.16Å; F16-K46 HydrophobicContact CZ-CG 3.74Å; F16-Y49 AromaticContact CZ-CD1 3.87Å; F16-Y49 HydrophobicContact CZ-CD1 3.87Å; F16-Y49 HydrophobicContact CZ-CG 4.03Å
17R54.6Low67.3Low197 Ų19786.2 Ų86.274%0.74342%0.419SS*.SBendtrans-73.364.4170.1-84.4-174168.9-171.2-1.6110.6N14 L15 A19N14-R17 PolarHBondContact O-N 3.12Å; L15-R17 PolarHBondContact O-N 3.46Å; R17-A19 PolarHBondContact O-N 2.93Å
18N55.8Low69.5Low113 Ų11386.1 Ų86.160%0.60442%0.415SS*.SBendtrans47-6.7159.9-74.6-8000121.9F16F16-N18 PolarHBondContact O-N 3.37Å
19A58.2Low71.3Confident95 Ų9584.2 Ų84.279%0.78541%0.414SS*.SBendtrans-121.5103.9-177.600000109.8R17R17-A19 PolarHBondContact O-N 2.93Å
20G80.2Confident73.3Confident37 Ų3776.3 Ų76.338%0.38138%0.384SS..SBendtrans119.8-6.2164.600000116.9T59 Q61G20-T59 WeakPolarHBondContact O-CB 3.24Å; G20-T59 PolarHBondContact O-OG1 2.83Å; G20-Q61 PolarHBondContact O-NE2 2.95Å
21V88Confident75.3Confident6 Ų677 Ų774%0.03639%0.386CS..SBendtrans-66.5-49.8173-179.40000110.5M42 Y45 T59 M60V21-M42 HydrophobicContact CB-CE 4.29Å; V21-M42 HydrophobicContact CG2-CE 4.1Å; V21-Y45 HydrophobicContact CB-CD1 4.45Å; V21-Y45 HydrophobicContact CB-CE1 4.13Å; V21-Y45 HydrophobicContact CG1-CD1 3.55Å; V21-Y45 HydrophobicContact CG1-CD2 4.15Å; V21-Y45 HydrophobicContact CG1-CE1 3.22Å; V21-Y45 HydrophobicContact CG1-CE2 3.91Å; V21-Y45 HydrophobicContact CG1-CG 3.98Å; V21-Y45 VanDerWaalsContact CG1-CZ 3.42Å; V21-Y45 HydrophobicContact CG2-CD1 4.28Å; V21-Y45 HydrophobicContact CG2-CE1 3.77Å; V21-T59 PolarHBondContact O-OG1 2.97Å; V21-T59 VanDerWaalsContact O-OG1 3.04Å; V21-M60 HydrophobicContact CG1-CG 4.23Å; V21-M60 PolarHBondContact O-N 3.06Å
22F90.9Very high77.1Confident17 Ų1778.4 Ų78.48%0.07539%0.393CS..SBendtrans-122.1152.9177.9-60-79.6000109.3Q26 I27 Y30 I41 M42 Y45 M60 A65 F104F22-Q26 HydrophobicContact CB-CB 4.15Å; F22-Q26 HydrophobicContact CD1-CB 4.48Å; F22-I27 HydrophobicContact CB-CD1 3.73Å; F22-I27 HydrophobicContact CB-CG1 3.8Å; F22-I27 HydrophobicContact CD2-CD1 3.84Å; F22-I27 HydrophobicContact CG-CD1 3.96Å; F22-Y30 AromaticContact CD1-CE2 3.72Å; F22-Y30 HydrophobicContact CD1-CE2 3.72Å; F22-Y30 AromaticContact CE1-CE2 3.76Å; F22-Y30 HydrophobicContact CE1-CE2 3.76Å; F22-Y30 HydrophobicContact CG-CE2 4.43Å; F22-I41 HydrophobicContact CE2-CG2 4.48Å; F22-M42 HydrophobicContact CD2-SD 3.93Å; F22-M42 HydrophobicContact CE2-SD 4.22Å; F22-Y45 HydrophobicContact CE2-CD1 4.32Å; F22-Y45 HydrophobicContact CE2-CD2 4.1Å; F22-Y45 AromaticContact CE2-CG 3.78Å; F22-Y45 HydrophobicContact CE2-CG 3.78Å; F22-Y45 AromaticContact CZ-CD2 3.77Å; F22-Y45 HydrophobicContact CZ-CD2 3.77Å; F22-Y45 HydrophobicContact CZ-CE2 4.5Å; F22-Y45 AromaticContact CZ-CG 3.93Å; F22-Y45 HydrophobicContact CZ-CG 3.93Å; F22-M60 HydrophobicContact CD1-CB 3.79Å; F22-M60 HydrophobicContact CE1-CB 3.3Å; F22-M60 HydrophobicContact CE1-CG 3.85Å; F22-M60 HydrophobicContact CZ-CB 3.88Å; F22-M60 HydrophobicContact CZ-CG 3.91Å; F22-A65 HydrophobicContact CE1-CB 4.46Å; F22-F104 AromaticContact CE1-CD1 3.67Å; F22-F104 HydrophobicContact CE1-CD1 3.67Å; F22-F104 AromaticContact CE1-CE1 3.54Å; F22-F104 HydrophobicContact CE1-CE1 3.54Å; F22-F104 HydrophobicContact CE2-CE1 4.07Å; F22-F104 HydrophobicContact CE2-CZ 4.32Å; F22-F104 AromaticContact CZ-CD1 3.58Å; F22-F104 HydrophobicContact CZ-CD1 3.58Å; F22-F104 AromaticContact CZ-CE1 3.15Å; F22-F104 HydrophobicContact CZ-CE1 3.15Å; F22-F104 HydrophobicContact CZ-CG 4.41Å; F22-F104 AromaticContact CZ-CZ 3.71Å; F22-F104 HydrophobicContact CZ-CZ 3.71Å
23T91Very high78.8Confident42 Ų4279.6 Ų79.626%0.25841%0.408SS..  trans-69.8169.6166.680.30000110.4E25 Q26 I27 Q61T23-E25 VanDerWaalsContact C-N 3.31Å; T23-E25 WeakPolarHBondContact CB-OE2 3.29Å; T23-E25 PolarHBondContact OG1-N 2.97Å; T23-E25 PolarHBondContact OG1-OE2 3.19Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.19Å; T23-Q26 PolarHBondContact OG1-N 3.12Å; T23-Q26 VanDerWaalsContact OG1-N 3.14Å; T23-I27 WeakPolarHBondContact O-CG1 3.45Å; T23-I27 PolarHBondContact O-N 3.32Å; T23-Q61 HydrophobicContact CG2-CB 4.42Å; T23-Q61 HydrophobicContact CG2-CG 3.77Å
24R90.1Very high80.6Confident180 Ų18073.6 Ų73.668%0.67938%0.379SS*.Hα-helixtrans-65.6-41.3176.1179.9178.6169.6-176.2-7.8110.7I27 E28R24-I27 PolarHBondContact O-N 3.43Å; R24-E28 IonicContact CZ-OE1 3.34Å; R24-E28 IonicContact NE-OE1 2.75Å; R24-E28 PolarHBondContact NE-OE1 3.34Å; R24-E28 IonicContact NH2-OE1 3.05Å; R24-E28 PolarHBondContact NH2-OE1 2.91Å; R24-E28 WeakPolarHBondContact O-CG 3.38Å; R24-E28 PolarHBondContact O-N 2.94Å
25E91.9Very high82.4Confident122 Ų12274 Ų7457%0.5738%0.376SS*.Hα-helixtrans-63.7-43.4-179.4-56.471.8-155.200110.8T23 I27 E28 E29T23-E25 VanDerWaalsContact C-N 3.31Å; T23-E25 WeakPolarHBondContact CB-OE2 3.29Å; T23-E25 PolarHBondContact OG1-N 2.97Å; T23-E25 PolarHBondContact OG1-OE2 3.19Å; E25-I27 VanDerWaalsContact C-N 3.32Å; E25-I27 PolarHBondContact O-N 3.14Å; E25-E28 PolarHBondContact O-N 3.45Å; E25-E29 WeakPolarHBondContact O-CB 3.19Å; E25-E29 PolarHBondContact O-N 3.4Å
26Q92.3Very high84.1Confident25 Ų2573 Ų7312%0.11737%0.37CS..Hα-helixtrans-59.8-42.6174.4-72.3-178.5-65.200112.1F22 T23 E29 Y30 M60F22-Q26 HydrophobicContact CB-CB 4.15Å; F22-Q26 HydrophobicContact CD1-CB 4.48Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.19Å; T23-Q26 PolarHBondContact OG1-N 3.12Å; T23-Q26 VanDerWaalsContact OG1-N 3.14Å; Q26-E29 PolarHBondContact O-N 2.94Å; Q26-Y30 HydrophobicContact CB-CE2 4.22Å; Q26-Y30 WeakPolarHBondContact O-CD2 3.42Å; Q26-Y30 VanDerWaalsContact O-CG 3.22Å; Q26-Y30 PolarHBondContact O-N 3.32Å; Q26-M60 PolarHBondContact NE2-O 3.08Å
27I93Very high85.9Confident8 Ų875.5 Ų75.54%0.04139%0.387CS..Hα-helixtrans-65.6-43.2177.6-66.9-64.4000110.8F22 T23 R24 E25 Y30 Q31 K38 I41F22-I27 HydrophobicContact CB-CD1 3.73Å; F22-I27 HydrophobicContact CB-CG1 3.8Å; F22-I27 HydrophobicContact CD2-CD1 3.84Å; F22-I27 HydrophobicContact CG-CD1 3.96Å; T23-I27 WeakPolarHBondContact O-CG1 3.45Å; T23-I27 PolarHBondContact O-N 3.32Å; R24-I27 PolarHBondContact O-N 3.43Å; E25-I27 VanDerWaalsContact C-N 3.32Å; E25-I27 PolarHBondContact O-N 3.14Å; I27-Y30 PolarHBondContact O-N 3.23Å; I27-Q31 HydrophobicContact CG2-CG 4.4Å; I27-Q31 VanDerWaalsContact O-CG 3.26Å; I27-Q31 WeakPolarHBondContact O-CG 3.42Å; I27-Q31 PolarHBondContact O-N 3.38Å; I27-K38 HydrophobicContact CG2-CB 3.88Å; I27-K38 HydrophobicContact CG2-CD 3.93Å; I27-K38 HydrophobicContact CG2-CG 3.74Å; I27-I41 HydrophobicContact CD1-CG2 3.91Å
28E92.9Very high87.7Confident80 Ų8070.9 Ų70.937%0.37437%0.372SS..Hα-helixtrans-60.2-47176.9-72.7171.8177.300110.6R24 E25 Y30 Q31 D32R24-E28 IonicContact CZ-OE1 3.34Å; R24-E28 IonicContact NE-OE1 2.75Å; R24-E28 PolarHBondContact NE-OE1 3.34Å; R24-E28 IonicContact NH2-OE1 3.05Å; R24-E28 PolarHBondContact NH2-OE1 2.91Å; R24-E28 WeakPolarHBondContact O-CG 3.38Å; R24-E28 PolarHBondContact O-N 2.94Å; E25-E28 PolarHBondContact O-N 3.45Å; E28-Y30 PolarHBondContact O-N 2.9Å; E28-Q31 PolarHBondContact O-N 2.74Å; E28-Q31 VanDerWaalsContact O-N 3.09Å; E28-D32 PolarHBondContact O-N 3.33Å
29E93.4Very high89.4Confident120 Ų12071.9 Ų71.956%0.56137%0.371SS*.Hα-helixtrans-56.9-47.2175.2-176.8178.6-17100112.4E25 Q26 Q31 D32 C33E25-E29 WeakPolarHBondContact O-CB 3.19Å; E25-E29 PolarHBondContact O-N 3.4Å; Q26-E29 PolarHBondContact O-N 2.94Å; E29-Q31 VanDerWaalsContact C-N 3.3Å; E29-Q31 PolarHBondContact O-N 2.79Å; E29-D32 PolarHBondContact O-N 3.11Å; E29-D32 VanDerWaalsContact O-N 3.16Å; E29-C33 WeakPolarHBondContact O-CB 3.42Å; E29-C33 PolarHBondContact O-N 3.24Å; E29-C33 PolarHBondContact O-SG 3.14Å
30Y94.2Very high91Very high19 Ų1969.4 Ų69.48%0.07535%0.345CS..Hα-helixtrans-63.2-36.2176.4-65.4-39.8000113F22 Q26 I27 E28 D32 T34 I41 A65 F104 N105 L108F22-Y30 AromaticContact CD1-CE2 3.72Å; F22-Y30 HydrophobicContact CD1-CE2 3.72Å; F22-Y30 AromaticContact CE1-CE2 3.76Å; F22-Y30 HydrophobicContact CE1-CE2 3.76Å; F22-Y30 HydrophobicContact CG-CE2 4.43Å; Q26-Y30 HydrophobicContact CB-CE2 4.22Å; Q26-Y30 WeakPolarHBondContact O-CD2 3.42Å; Q26-Y30 VanDerWaalsContact O-CG 3.22Å; Q26-Y30 PolarHBondContact O-N 3.32Å; I27-Y30 PolarHBondContact O-N 3.23Å; E28-Y30 PolarHBondContact O-N 2.9Å; Y30-D32 VanDerWaalsContact C-N 3.3Å; Y30-T34 WeakPolarHBondContact O-CB 3.27Å; Y30-T34 WeakPolarHBondContact O-CG2 3.39Å; Y30-T34 PolarHBondContact O-N 3.38Å; Y30-T34 PolarHBondContact O-OG1 3.23Å; Y30-I41 VanDerWaalsContact CB-CD1 3.48Å; Y30-I41 HydrophobicContact CD2-CG2 4.01Å; Y30-A65 WeakPolarHBondContact OH-CB 3.37Å; Y30-F104 HydrophobicContact CE2-CD1 4.46Å; Y30-F104 HydrophobicContact CE2-CE1 4.05Å; Y30-N105 VanDerWaalsContact CE1-OD1 3.3Å; Y30-N105 WeakPolarHBondContact CE1-OD1 3.36Å; Y30-N105 PolarHBondContact OH-OD1 3.29Å; Y30-L108 HydrophobicContact CD1-CD1 3.45Å; Y30-L108 VanDerWaalsContact CD1-CD1 3.45Å; Y30-L108 HydrophobicContact CD2-CD1 4Å; Y30-L108 HydrophobicContact CE1-CD1 3.69Å; Y30-L108 HydrophobicContact CE2-CD1 4.22Å; Y30-L108 HydrophobicContact CG-CD1 3.62Å
31Q93.2Very high91.6Very high80 Ų8067.7 Ų67.737%0.37433%0.327SS..Hα-helixtrans-71.4-27.7177-69.6-169.5-102.200112.4I27 E28 E29 I41I27-Q31 HydrophobicContact CG2-CG 4.4Å; I27-Q31 VanDerWaalsContact O-CG 3.26Å; I27-Q31 WeakPolarHBondContact O-CG 3.42Å; I27-Q31 PolarHBondContact O-N 3.38Å; E28-Q31 PolarHBondContact O-N 2.74Å; E28-Q31 VanDerWaalsContact O-N 3.09Å; E29-Q31 VanDerWaalsContact C-N 3.3Å; E29-Q31 PolarHBondContact O-N 2.79Å; Q31-I41 HydrophobicContact CG-CD1 3.68Å
32D91.7Very high91.8Very high141 Ų14168 Ų6875%0.75433%0.328SS*.Hα-helixtrans-79.9-34.5176.9-70.8-15.1000111.8E28 E29 Y30E28-D32 PolarHBondContact O-N 3.33Å; E29-D32 PolarHBondContact O-N 3.11Å; E29-D32 VanDerWaalsContact O-N 3.16Å; Y30-D32 VanDerWaalsContact C-N 3.3Å
33C89.8Confident91.8Very high94 Ų9473.4 Ų73.464%0.63535%0.348SS*.Hα-helixtrans-91.5-13.4-177.6-65.40000114.5E29E29-C33 WeakPolarHBondContact O-CB 3.42Å; E29-C33 PolarHBondContact O-N 3.24Å; E29-C33 PolarHBondContact O-SG 3.14Å
34T90.9Very high91.9Very high12 Ų1272 Ų727%0.07434%0.338CS..SBendtrans-129.8165.3-177.174.40000112.1Y30 F36 L108 S112Y30-T34 WeakPolarHBondContact O-CB 3.27Å; Y30-T34 WeakPolarHBondContact O-CG2 3.39Å; Y30-T34 PolarHBondContact O-N 3.38Å; Y30-T34 PolarHBondContact O-OG1 3.23Å; T34-F36 HydrophobicContact CG2-CD2 4.44Å; T34-F36 PolarHBondContact O-N 2.86Å; T34-F36 VanDerWaalsContact O-N 3.12Å; T34-F36 WeakPolarHBondContact OG1-CB 3.35Å; T34-F36 PolarHBondContact OG1-N 2.88Å; T34-L108 HydrophobicContact CG2-CB 4.48Å; T34-S112 WeakPolarHBondContact CB-OG 3.04Å
35F88.6Confident92Very high103 Ų10363.4 Ų63.445%0.45231%0.306SS..SBendtrans-78.316174.2-57.4-73.3000113.5S112 A118 P119 L122F35-S112 WeakPolarHBondContact CD2-OG 3.36Å; F35-S112 PolarHBondContact N-OG 3.3Å; F35-A118 HydrophobicContact CD2-CB 4.28Å; F35-A118 HydrophobicContact CE2-CB 3.93Å; F35-P119 HydrophobicContact CZ-CG 4.35Å; F35-L122 HydrophobicContact CE2-CD2 4.12Å
36F91.9Very high92Very high24 Ų2461.6 Ų61.611%0.10530%0.296CS..  trans-103.3143.4-168.1-63.6-39.2000114T34 D40 I41 L44 L108 F111T34-F36 HydrophobicContact CG2-CD2 4.44Å; T34-F36 PolarHBondContact O-N 2.86Å; T34-F36 VanDerWaalsContact O-N 3.12Å; T34-F36 WeakPolarHBondContact OG1-CB 3.35Å; T34-F36 PolarHBondContact OG1-N 2.88Å; F36-D40 HydrophobicContact CB-CB 3.97Å; F36-D40 HydrophobicContact CD1-CB 4.1Å; F36-D40 HydrophobicContact CG-CB 4.22Å; F36-I41 HydrophobicContact CB-CG1 3.99Å; F36-L44 HydrophobicContact CD2-CD1 3.74Å; F36-L44 HydrophobicContact CE2-CD1 3.41Å; F36-L44 VanDerWaalsContact CE2-CD1 3.41Å; F36-L44 HydrophobicContact CG-CD1 4.42Å; F36-L44 HydrophobicContact CZ-CD1 3.85Å; F36-L108 HydrophobicContact CD2-CD2 4.2Å; F36-L108 HydrophobicContact CE2-CD2 4.47Å; F36-F111 HydrophobicContact CE2-CB 4.07Å; F36-F111 VanDerWaalsContact CZ-C 3.45Å; F36-F111 HydrophobicContact CZ-CB 3.83Å; F36-F111 WeakPolarHBondContact CZ-O 3.26Å
37T91.9Very high91.9Very high70 Ų7062.7 Ų62.743%0.42930%0.3SS..  trans-78.7162.2166.673.90000110.2K39 D40 I41T37-K39 PolarHBondContact O-N 2.92Å; T37-K39 WeakPolarHBondContact OG1-CB 3.48Å; T37-K39 PolarHBondContact OG1-N 2.93Å; T37-D40 WeakPolarHBondContact CB-OD2 3.46Å; T37-D40 PolarHBondContact N-OD2 2.87Å; T37-D40 PolarHBondContact O-N 3.5Å; T37-D40 PolarHBondContact OG1-N 3Å; T37-D40 PolarHBondContact OG1-OD2 3.28Å; T37-I41 PolarHBondContact O-N 3.22Å
38K91.5Very high91.9Very high100 Ų10062.3 Ų62.344%0.43530%0.298SS..Hα-helixtrans-46.3-37.1167.4179.2174-173.3169.30113I27 M42I27-K38 HydrophobicContact CG2-CB 3.88Å; I27-K38 HydrophobicContact CG2-CD 3.93Å; I27-K38 HydrophobicContact CG2-CG 3.74Å; K38-M42 VanDerWaalsContact O-CG 3.23Å; K38-M42 WeakPolarHBondContact O-CG 3.25Å; K38-M42 PolarHBondContact O-N 2.89Å; K38-M42 VanDerWaalsContact O-N 3.07Å
39K91.4Very high91.8Very high135 Ų13560.4 Ų60.459%0.58729%0.287SS*.Hα-helixtrans-67.5-38.1-179.9-170.8-178-177-176.70111.6T37 R43T37-K39 PolarHBondContact O-N 2.92Å; T37-K39 WeakPolarHBondContact OG1-CB 3.48Å; T37-K39 PolarHBondContact OG1-N 2.93Å; K39-R43 VanDerWaalsContact CE-NH2 3.34Å; K39-R43 VanDerWaalsContact O-CG 3.27Å; K39-R43 WeakPolarHBondContact O-CG 3.49Å; K39-R43 PolarHBondContact O-N 3.07Å; K39-R43 VanDerWaalsContact O-N 3.08Å
40D92Very high91.6Very high43 Ų4357.6 Ų57.623%0.2328%0.281CS..Hα-helixtrans-73.9-42.3-179.4-54.8-45.4000110.6F36 T37 M42 R43 L44F36-D40 HydrophobicContact CB-CB 3.97Å; F36-D40 HydrophobicContact CD1-CB 4.1Å; F36-D40 HydrophobicContact CG-CB 4.22Å; T37-D40 WeakPolarHBondContact CB-OD2 3.46Å; T37-D40 PolarHBondContact N-OD2 2.87Å; T37-D40 PolarHBondContact O-N 3.5Å; T37-D40 PolarHBondContact OG1-N 3Å; T37-D40 PolarHBondContact OG1-OD2 3.28Å; D40-M42 VanDerWaalsContact C-N 3.31Å; D40-M42 PolarHBondContact O-N 3.28Å; D40-R43 WeakPolarHBondContact O-CA 3.39Å; D40-R43 WeakPolarHBondContact O-CB 3.4Å; D40-R43 PolarHBondContact O-N 3.39Å; D40-R43 IonicContact OD1-CZ 2.74Å; D40-R43 IonicContact OD1-NH1 3.55Å; D40-R43 PolarHBondContact OD1-NH1 2.86Å; D40-L44 WeakPolarHBondContact O-CG 3.36Å; D40-L44 PolarHBondContact O-N 3.15Å
41I92.9Very high91.5Very high0 Ų058.4 Ų58.40%029%0.286CS..Hα-helixtrans-54.5-47.6171.2-64.6158.1000110.7F22 I27 Y30 Q31 F36 T37 R43 L44 Y45 F104 L108F22-I41 HydrophobicContact CE2-CG2 4.48Å; I27-I41 HydrophobicContact CD1-CG2 3.91Å; Y30-I41 VanDerWaalsContact CB-CD1 3.48Å; Y30-I41 HydrophobicContact CD2-CG2 4.01Å; Q31-I41 HydrophobicContact CG-CD1 3.68Å; F36-I41 HydrophobicContact CB-CG1 3.99Å; T37-I41 PolarHBondContact O-N 3.22Å; I41-R43 VanDerWaalsContact C-N 3.3Å; I41-R43 PolarHBondContact O-N 3.1Å; I41-L44 PolarHBondContact O-N 3.13Å; I41-Y45 PolarHBondContact O-N 3.21Å; I41-F104 HydrophobicContact CG2-CE1 4.32Å; I41-F104 HydrophobicContact CG2-CZ 4.16Å; I41-L108 HydrophobicContact CG1-CD2 4.48Å
42M92.5Very high91.3Very high13 Ų1355.5 Ų55.56%0.06428%0.275CS..Hα-helixtrans-67-28.7178.3-68.6-57-59.500113.4V21 F22 K38 D40 K46V21-M42 HydrophobicContact CB-CE 4.29Å; V21-M42 HydrophobicContact CG2-CE 4.1Å; F22-M42 HydrophobicContact CD2-SD 3.93Å; F22-M42 HydrophobicContact CE2-SD 4.22Å; K38-M42 VanDerWaalsContact O-CG 3.23Å; K38-M42 WeakPolarHBondContact O-CG 3.25Å; K38-M42 PolarHBondContact O-N 2.89Å; K38-M42 VanDerWaalsContact O-N 3.07Å; D40-M42 VanDerWaalsContact C-N 3.31Å; D40-M42 PolarHBondContact O-N 3.28Å; M42-K46 WeakPolarHBondContact O-CD 3.13Å; M42-K46 VanDerWaalsContact O-CG 3.29Å; M42-K46 WeakPolarHBondContact O-CG 3.27Å; M42-K46 PolarHBondContact O-N 2.81Å
43R91.6Very high90.9Very high131 Ų13152.4 Ų52.449%0.49426%0.262SS..Hα-helixtrans-71.8-44.2173.3-74.6163170.7170.4-14.6110.9K39 D40 I41 Y45 K46 R47K39-R43 VanDerWaalsContact CE-NH2 3.34Å; K39-R43 VanDerWaalsContact O-CG 3.27Å; K39-R43 WeakPolarHBondContact O-CG 3.49Å; K39-R43 PolarHBondContact O-N 3.07Å; K39-R43 VanDerWaalsContact O-N 3.08Å; D40-R43 WeakPolarHBondContact O-CA 3.39Å; D40-R43 WeakPolarHBondContact O-CB 3.4Å; D40-R43 PolarHBondContact O-N 3.39Å; D40-R43 IonicContact OD1-CZ 2.74Å; D40-R43 IonicContact OD1-NH1 3.55Å; D40-R43 PolarHBondContact OD1-NH1 2.86Å; I41-R43 VanDerWaalsContact C-N 3.3Å; I41-R43 PolarHBondContact O-N 3.1Å; R43-Y45 VanDerWaalsContact C-N 3.34Å; R43-K46 WeakPolarHBondContact O-CB 3.48Å; R43-K46 PolarHBondContact O-N 2.91Å; R43-R47 PolarHBondContact O-N 3.23Å; R43-R47 VanDerWaalsContact O-N 3.09Å
44L92.7Very high90.6Very high11 Ų1151.3 Ų51.36%0.05827%0.267CS..Hα-helixtrans-64-39.6176.6-70.6173000111.3F36 D40 I41 R47 F48 F104 F107 L108 F111F36-L44 HydrophobicContact CD2-CD1 3.74Å; F36-L44 HydrophobicContact CE2-CD1 3.41Å; F36-L44 VanDerWaalsContact CE2-CD1 3.41Å; F36-L44 HydrophobicContact CG-CD1 4.42Å; F36-L44 HydrophobicContact CZ-CD1 3.85Å; D40-L44 WeakPolarHBondContact O-CG 3.36Å; D40-L44 PolarHBondContact O-N 3.15Å; I41-L44 PolarHBondContact O-N 3.13Å; L44-R47 WeakPolarHBondContact O-CB 3.36Å; L44-R47 PolarHBondContact O-N 3.09Å; L44-F48 WeakPolarHBondContact O-CB 3.42Å; L44-F48 PolarHBondContact O-N 3.34Å; L44-F104 HydrophobicContact CB-CE2 4.37Å; L44-F107 HydrophobicContact CB-CE1 4.39Å; L44-F107 HydrophobicContact CD2-CE1 4.14Å; L44-L108 HydrophobicContact CB-CD2 4.09Å; L44-L108 HydrophobicContact CD1-CD2 3.57Å; L44-L108 HydrophobicContact CG-CD2 4.49Å; L44-F111 HydrophobicContact CD1-CB 4.13Å; L44-F111 HydrophobicContact CD2-CB 4.19Å; L44-F111 HydrophobicContact CD2-CD1 4.35Å; L44-F111 HydrophobicContact CD2-CD2 3.84Å; L44-F111 HydrophobicContact CD2-CE2 4.36Å; L44-F111 HydrophobicContact CD2-CG 3.85Å
45Y92.1Very high90.4Very high0 Ų056.7 Ų56.70%029%0.287CS..Hα-helixtrans-63.8-43174.4173.7-106000112.8F16 V21 F22 I41 R43 R47 F48 Y49 V56 P57 A58 M60 F104F16-Y45 HydrophobicContact CD1-CD1 4.04Å; F16-Y45 AromaticContact CD1-CE1 3.97Å; F16-Y45 HydrophobicContact CD1-CE1 3.97Å; F16-Y45 AromaticContact CE1-CD1 3.67Å; F16-Y45 HydrophobicContact CE1-CD1 3.67Å; F16-Y45 AromaticContact CE1-CE1 3.48Å; F16-Y45 HydrophobicContact CE1-CE1 3.48Å; F16-Y45 VanDerWaalsContact CE1-CE1 3.48Å; V21-Y45 HydrophobicContact CB-CD1 4.45Å; V21-Y45 HydrophobicContact CB-CE1 4.13Å; V21-Y45 HydrophobicContact CG1-CD1 3.55Å; V21-Y45 HydrophobicContact CG1-CD2 4.15Å; V21-Y45 HydrophobicContact CG1-CE1 3.22Å; V21-Y45 HydrophobicContact CG1-CE2 3.91Å; V21-Y45 HydrophobicContact CG1-CG 3.98Å; V21-Y45 VanDerWaalsContact CG1-CZ 3.42Å; V21-Y45 HydrophobicContact CG2-CD1 4.28Å; V21-Y45 HydrophobicContact CG2-CE1 3.77Å; F22-Y45 HydrophobicContact CE2-CD1 4.32Å; F22-Y45 HydrophobicContact CE2-CD2 4.1Å; F22-Y45 AromaticContact CE2-CG 3.78Å; F22-Y45 HydrophobicContact CE2-CG 3.78Å; F22-Y45 AromaticContact CZ-CD2 3.77Å; F22-Y45 HydrophobicContact CZ-CD2 3.77Å; F22-Y45 HydrophobicContact CZ-CE2 4.5Å; F22-Y45 AromaticContact CZ-CG 3.93Å; F22-Y45 HydrophobicContact CZ-CG 3.93Å; I41-Y45 PolarHBondContact O-N 3.21Å; R43-Y45 VanDerWaalsContact C-N 3.34Å; Y45-R47 PolarHBondContact O-N 3.16Å; Y45-F48 PolarHBondContact O-N 3.21Å; Y45-Y49 WeakPolarHBondContact O-CB 3.4Å; Y45-Y49 PolarHBondContact O-N 2.82Å; Y45-V56 HydrophobicContact CE2-CG1 4.04Å; Y45-P57 PolarHBondContact OH-O 3.27Å; Y45-A58 PolarHBondContact OH-O 2.97Å; Y45-M60 HydrophobicContact CD2-CE 4.46Å; Y45-M60 HydrophobicContact CD2-CG 3.82Å; Y45-M60 HydrophobicContact CE2-CE 4.12Å; Y45-M60 HydrophobicContact CE2-CG 3.27Å; Y45-M60 HydrophobicContact CE2-SD 3.89Å; Y45-F104 VanDerWaalsContact CA-CE2 3.42Å; Y45-F104 HydrophobicContact CD2-CD2 4.34Å; Y45-F104 HydrophobicContact CD2-CE2 4.32Å
46K91Very high90.4Very high84 Ų8452 Ų5237%0.36527%0.267SS..Hα-helixtrans-55.7-42.3174.4-78.5167.6178178.10111.7F16 M42 R43 S50F16-K46 HydrophobicContact CB-CD 4.41Å; F16-K46 HydrophobicContact CB-CG 4.33Å; F16-K46 HydrophobicContact CD1-CD 4.32Å; F16-K46 HydrophobicContact CD1-CG 3.38Å; F16-K46 HydrophobicContact CD2-CD 4.34Å; F16-K46 HydrophobicContact CD2-CG 3.8Å; F16-K46 HydrophobicContact CE1-CB 4.13Å; F16-K46 HydrophobicContact CE1-CG 3.44Å; F16-K46 VanDerWaalsContact CE1-CG 3.44Å; F16-K46 HydrophobicContact CE2-CG 3.91Å; F16-K46 HydrophobicContact CG-CD 4.13Å; F16-K46 VanDerWaalsContact CG-CE 3.43Å; F16-K46 HydrophobicContact CG-CG 3.58Å; F16-K46 HydrophobicContact CZ-CB 4.16Å; F16-K46 HydrophobicContact CZ-CG 3.74Å; M42-K46 WeakPolarHBondContact O-CD 3.13Å; M42-K46 VanDerWaalsContact O-CG 3.29Å; M42-K46 WeakPolarHBondContact O-CG 3.27Å; M42-K46 PolarHBondContact O-N 2.81Å; R43-K46 WeakPolarHBondContact O-CB 3.48Å; R43-K46 PolarHBondContact O-N 2.91Å; K46-S50 WeakPolarHBondContact O-CB 3.21Å; K46-S50 PolarHBondContact O-N 2.94Å
47R91Very high90.1Very high49 Ų4952.9 Ų52.919%0.18528%0.275CS..Hα-helixtrans-65.4-52177.7-177.9-173.1175.5133.423.9110.9R43 L44 Y45 Y49 S50 L51 M78 E80 F107R43-R47 PolarHBondContact O-N 3.23Å; R43-R47 VanDerWaalsContact O-N 3.09Å; L44-R47 WeakPolarHBondContact O-CB 3.36Å; L44-R47 PolarHBondContact O-N 3.09Å; Y45-R47 PolarHBondContact O-N 3.16Å; R47-Y49 VanDerWaalsContact C-N 3.33Å; R47-Y49 PolarHBondContact O-N 3.37Å; R47-S50 WeakPolarHBondContact O-CA 3.39Å; R47-S50 WeakPolarHBondContact O-CB 3.1Å; R47-S50 PolarHBondContact O-N 3.01Å; R47-S50 PolarHBondContact O-OG 3.2Å; R47-L51 WeakPolarHBondContact O-CG 3.27Å; R47-L51 PolarHBondContact O-N 2.92Å; R47-L51 VanDerWaalsContact O-N 3.13Å; R47-M78 PolarHBondContact NE-SD 3.45Å; R47-M78 PolarHBondContact NH2-SD 3.11Å; R47-E80 IonicContact CZ-OE1 3.87Å; R47-E80 IonicContact CZ-OE2 2.75Å; R47-E80 IonicContact NH1-OE1 2.59Å; R47-E80 PolarHBondContact NH1-OE1 2.97Å; R47-E80 IonicContact NH1-OE2 2.79Å; R47-E80 IonicContact NH2-OE1 3.91Å; R47-E80 PolarHBondContact NH2-OE1 3.19Å; R47-E80 IonicContact NH2-OE2 3.83Å; R47-E80 PolarHBondContact NH2-OE2 3.11Å; R47-F107 HydrophobicContact CG-CZ 4.23Å
48F92.4Very high89.7Confident0 Ų052 Ų520%028%0.275CS..Hα-helixtrans-51.9-51175.4-171.7-97.4000111.4L44 Y45 S50 L51 V56 M60 I70 L102 F104 F107L44-F48 WeakPolarHBondContact O-CB 3.42Å; L44-F48 PolarHBondContact O-N 3.34Å; Y45-F48 PolarHBondContact O-N 3.21Å; F48-S50 VanDerWaalsContact C-N 3.26Å; F48-S50 PolarHBondContact O-N 2.89Å; F48-L51 WeakPolarHBondContact O-CB 3.47Å; F48-L51 PolarHBondContact O-N 3.36Å; F48-L51 VanDerWaalsContact O-N 3.15Å; F48-V56 HydrophobicContact CD1-CG1 3.85Å; F48-V56 HydrophobicContact CD1-CG2 3.88Å; F48-V56 HydrophobicContact CE1-CG1 3.99Å; F48-V56 HydrophobicContact CE1-CG2 3.78Å; F48-M60 HydrophobicContact CD1-CE 4.06Å; F48-M60 HydrophobicContact CE1-CE 3.72Å; F48-I70 HydrophobicContact CD1-CD1 3.77Å; F48-I70 HydrophobicContact CD1-CG1 4.45Å; F48-I70 HydrophobicContact CD2-CD1 3.61Å; F48-I70 HydrophobicContact CD2-CG1 4.37Å; F48-I70 HydrophobicContact CE1-CD1 3.69Å; F48-I70 HydrophobicContact CE1-CG1 3.87Å; F48-I70 HydrophobicContact CE2-CB 4.24Å; F48-I70 HydrophobicContact CE2-CD1 3.54Å; F48-I70 HydrophobicContact CE2-CG1 3.78Å; F48-I70 HydrophobicContact CG-CD1 3.73Å; F48-I70 HydrophobicContact CZ-CB 4.28Å; F48-I70 HydrophobicContact CZ-CD1 3.58Å; F48-I70 HydrophobicContact CZ-CG1 3.5Å; F48-I70 WeakPolarHBondContact O-CD1 3.47Å; F48-L102 WeakPolarHBondContact CE2-O 3.45Å; F48-L102 WeakPolarHBondContact CZ-O 3.33Å; F48-F104 HydrophobicContact CB-CD2 3.99Å; F48-F104 HydrophobicContact CB-CE2 4.39Å; F48-F104 HydrophobicContact CD1-CB 4.33Å; F48-F104 HydrophobicContact CD1-CD2 4.18Å; F48-F104 HydrophobicContact CD2-CD2 4.28Å; F48-F104 HydrophobicContact CE1-CB 4.14Å; F48-F104 AromaticContact CG-CD2 3.91Å; F48-F104 HydrophobicContact CG-CD2 3.91Å; F48-F104 HydrophobicContact CZ-CB 4.22Å; F48-F107 HydrophobicContact CB-CD1 4.42Å; F48-F107 HydrophobicContact CB-CE1 4.31Å; F48-F107 HydrophobicContact CD2-CB 3.93Å; F48-F107 HydrophobicContact CD2-CD1 4.12Å; F48-F107 AromaticContact CD2-CD2 3.83Å; F48-F107 HydrophobicContact CD2-CD2 3.83Å; F48-F107 HydrophobicContact CD2-CE2 4.26Å; F48-F107 AromaticContact CD2-CG 3.72Å; F48-F107 HydrophobicContact CD2-CG 3.72Å; F48-F107 HydrophobicContact CE2-CB 4.11Å; F48-F107 HydrophobicContact CE2-CD2 4.35Å; F48-F107 HydrophobicContact CE2-CG 4.32Å
49Y90.9Very high89.5Confident39 Ų3950 Ų5015%0.15327%0.271CS..Hα-helixtrans-57.7-36.3175.3-174.3-86.5000113.2Q12 L15 F16 Y45 R47 L51 S52 V56Q12-Y49 HydrophobicContact CG-CE1 4.26Å; L15-Y49 HydrophobicContact CD2-CD2 4.26Å; L15-Y49 HydrophobicContact CD2-CE1 4.31Å; L15-Y49 HydrophobicContact CD2-CE2 3.79Å; F16-Y49 AromaticContact CZ-CD1 3.87Å; F16-Y49 HydrophobicContact CZ-CD1 3.87Å; F16-Y49 HydrophobicContact CZ-CG 4.03Å; Y45-Y49 WeakPolarHBondContact O-CB 3.4Å; Y45-Y49 PolarHBondContact O-N 2.82Å; R47-Y49 VanDerWaalsContact C-N 3.33Å; R47-Y49 PolarHBondContact O-N 3.37Å; Y49-L51 VanDerWaalsContact C-N 3.34Å; Y49-S52 CarbonylContact O-C 3.57Å; Y49-V56 HydrophobicContact CD2-CB 3.83Å; Y49-V56 HydrophobicContact CD2-CG1 3.82Å; Y49-V56 HydrophobicContact CE2-CB 4.42Å; Y49-V56 WeakPolarHBondContact CE2-O 3.05Å; Y49-V56 HydrophobicContact CG-CB 4.5Å
50S90.4Very high89.4Confident61 Ų6143.6 Ų43.643%0.42724%0.243SC..Hα-helixtrans-74.4-21.3-179.375.10000114.4K46 R47 F48 P53K46-S50 WeakPolarHBondContact O-CB 3.21Å; K46-S50 PolarHBondContact O-N 2.94Å; R47-S50 WeakPolarHBondContact O-CA 3.39Å; R47-S50 WeakPolarHBondContact O-CB 3.1Å; R47-S50 PolarHBondContact O-N 3.01Å; R47-S50 PolarHBondContact O-OG 3.2Å; F48-S50 VanDerWaalsContact C-N 3.26Å; F48-S50 PolarHBondContact O-N 2.89Å; S50-P53 WeakPolarHBondContact O-CD 3.44Å; S50-P53 WeakPolarHBondContact O-CG 3.32Å
51L90.6Very high89.3Confident36 Ų3645.3 Ų45.319%0.18825%0.249CC..Hα-helixtrans-69.7-39.7178.6-66.8170.4000111.4R47 F48 Y49 I70 I75 M78 F107R47-L51 WeakPolarHBondContact O-CG 3.27Å; R47-L51 PolarHBondContact O-N 2.92Å; R47-L51 VanDerWaalsContact O-N 3.13Å; F48-L51 WeakPolarHBondContact O-CB 3.47Å; F48-L51 PolarHBondContact O-N 3.36Å; F48-L51 VanDerWaalsContact O-N 3.15Å; Y49-L51 VanDerWaalsContact C-N 3.34Å; L51-I70 HydrophobicContact CB-CD1 3.98Å; L51-I70 HydrophobicContact CB-CG2 4.49Å; L51-I70 HydrophobicContact CD1-CD1 4.5Å; L51-I75 HydrophobicContact CD1-CD1 3.71Å; L51-M78 HydrophobicContact CD1-CG 4.15Å; L51-M78 HydrophobicContact CD1-SD 3.68Å; L51-M78 HydrophobicContact CD2-CG 3.62Å; L51-M78 HydrophobicContact CD2-SD 4.15Å; L51-F107 HydrophobicContact CD1-CE2 3.77Å; L51-F107 HydrophobicContact CD1-CZ 4.04Å
52S89Confident89.1Confident20 Ų2049.5 Ų49.514%0.1429%0.293CS..SBendtrans-133.776.7176.7-153.40000112.1Y49 G54 Y55 V56 D74Y49-S52 CarbonylContact O-C 3.57Å; S52-G54 PolarHBondContact O-N 2.83Å; S52-Y55 PolarHBondContact O-N 3.1Å; S52-V56 PolarHBondContact O-N 3.15Å; S52-D74 PolarHBondContact OG-OD2 3.1Å
53P83.2Confident88.9Confident75 Ų7551 Ų5149%0.48731%0.311SS..THydrogen-bonded Turntrans-65.3119.2-177.3-20.132.9000111.7S50S50-P53 WeakPolarHBondContact O-CD 3.44Å; S50-P53 WeakPolarHBondContact O-CG 3.32Å
54G83.9Confident88.8Confident71 Ų7145.8 Ų45.873%0.73230%0.297SS*.THydrogen-bonded Turntrans101.3-14.9-179.300000114.2S52S52-G54 PolarHBondContact O-N 2.83Å
55Y86.6Confident88.7Confident125 Ų12545.4 Ų45.449%0.4930%0.295SS..THydrogen-bonded Turntrans-87.9-43.6168.4-175.1-95.3000111.1S52 V68 A69S52-Y55 PolarHBondContact O-N 3.1Å; Y55-V68 HydrophobicContact CD1-CG1 4Å; Y55-V68 HydrophobicContact CE1-CG1 3.67Å; Y55-A69 WeakPolarHBondContact CE1-O 3.08Å; Y55-A69 PolarHBondContact OH-O 2.79Å
56V88.2Confident88.6Confident5 Ų547.1 Ų47.13%0.0331%0.312CS..SBendtrans-76.6127.2179.1-175.20000110.3Y45 F48 Y49 S52 M60 I70Y45-V56 HydrophobicContact CE2-CG1 4.04Å; F48-V56 HydrophobicContact CD1-CG1 3.85Å; F48-V56 HydrophobicContact CD1-CG2 3.88Å; F48-V56 HydrophobicContact CE1-CG1 3.99Å; F48-V56 HydrophobicContact CE1-CG2 3.78Å; Y49-V56 HydrophobicContact CD2-CB 3.83Å; Y49-V56 HydrophobicContact CD2-CG1 3.82Å; Y49-V56 HydrophobicContact CE2-CB 4.42Å; Y49-V56 WeakPolarHBondContact CE2-O 3.05Å; Y49-V56 HydrophobicContact CG-CB 4.5Å; S52-V56 PolarHBondContact O-N 3.15Å; V56-M60 HydrophobicContact CG1-CE 4.14Å; V56-M60 HydrophobicContact CG1-SD 4.12Å; V56-I70 HydrophobicContact CG2-CD1 3.76Å; V56-I70 HydrophobicContact CG2-CG1 3.95Å
57P86.2Confident88.6Confident43 Ų4348.5 Ų48.528%0.27933%0.328SS..  trans-68.415717829.2-35.5000111.5Y45 T59 M60 A64 V68Y45-P57 PolarHBondContact OH-O 3.27Å; P57-T59 WeakPolarHBondContact CB-O 3.16Å; P57-T59 VanDerWaalsContact CG-O 3.28Å; P57-T59 WeakPolarHBondContact CG-O 3.5Å; P57-T59 PolarHBondContact O-N 3.06Å; P57-M60 HydrophobicContact CG-SD 3.75Å; P57-A64 HydrophobicContact CG-CB 4.43Å; P57-V68 HydrophobicContact CG-CG2 4.15Å
58A83Confident88.7Confident51 Ų5147.5 Ų47.542%0.42133%0.327SS..SBendtrans-62.2-26.9175.800000113.8L15 Y45L15-A58 HydrophobicContact CD1-CB 3.36Å; L15-A58 WeakPolarHBondContact CD1-O 3.41Å; L15-A58 HydrophobicContact CD2-CB 4.31Å; L15-A58 HydrophobicContact CG-CB 4.47Å; Y45-A58 PolarHBondContact OH-O 2.97Å
59T86.9Confident88.8Confident58 Ų5848.4 Ų48.436%0.35633%0.334SS..  trans-128.4143.4177.2-1760000109G20 V21 P57 Q61G20-T59 WeakPolarHBondContact O-CB 3.24Å; G20-T59 PolarHBondContact O-OG1 2.83Å; V21-T59 PolarHBondContact O-OG1 2.97Å; V21-T59 VanDerWaalsContact O-OG1 3.04Å; P57-T59 WeakPolarHBondContact CB-O 3.16Å; P57-T59 VanDerWaalsContact CG-O 3.28Å; P57-T59 WeakPolarHBondContact CG-O 3.5Å; P57-T59 PolarHBondContact O-N 3.06Å; T59-Q61 VanDerWaalsContact OG1-CG 3.28Å; T59-Q61 WeakPolarHBondContact OG1-CG 3.13Å; T59-Q61 PolarHBondContact OG1-N 2.99Å
60M90.1Very high88.9Confident0 Ų046.5 Ų46.50%033%0.327CS..  trans-109.118.9178.8-61.6-61.7-105.500111.5V21 F22 Q26 Y45 F48 V56 P57 A65 F104V21-M60 HydrophobicContact CG1-CG 4.23Å; V21-M60 PolarHBondContact O-N 3.06Å; F22-M60 HydrophobicContact CD1-CB 3.79Å; F22-M60 HydrophobicContact CE1-CB 3.3Å; F22-M60 HydrophobicContact CE1-CG 3.85Å; F22-M60 HydrophobicContact CZ-CB 3.88Å; F22-M60 HydrophobicContact CZ-CG 3.91Å; Q26-M60 PolarHBondContact NE2-O 3.08Å; Y45-M60 HydrophobicContact CD2-CE 4.46Å; Y45-M60 HydrophobicContact CD2-CG 3.82Å; Y45-M60 HydrophobicContact CE2-CE 4.12Å; Y45-M60 HydrophobicContact CE2-CG 3.27Å; Y45-M60 HydrophobicContact CE2-SD 3.89Å; F48-M60 HydrophobicContact CD1-CE 4.06Å; F48-M60 HydrophobicContact CE1-CE 3.72Å; V56-M60 HydrophobicContact CG1-CE 4.14Å; V56-M60 HydrophobicContact CG1-SD 4.12Å; P57-M60 HydrophobicContact CG-SD 3.75Å; M60-A65 HydrophobicContact CB-CB 4.13Å; M60-F104 HydrophobicContact CE-CB 3.45Å; M60-F104 VanDerWaalsContact CE-CB 3.45Å; M60-F104 HydrophobicContact CE-CG 4.11Å
61Q90.4Very high89.1Confident79 Ų7945.5 Ų45.537%0.36932%0.319SS..THydrogen-bonded Turntrans-71.3167.7173.9-63.6178.826.300111.9G20 T23 T59 G63 A64G20-Q61 PolarHBondContact O-NE2 2.95Å; T23-Q61 HydrophobicContact CG2-CB 4.42Å; T23-Q61 HydrophobicContact CG2-CG 3.77Å; T59-Q61 VanDerWaalsContact OG1-CG 3.28Å; T59-Q61 WeakPolarHBondContact OG1-CG 3.13Å; T59-Q61 PolarHBondContact OG1-N 2.99Å; Q61-G63 VanDerWaalsContact C-N 3.29Å; Q61-G63 PolarHBondContact O-N 2.85Å; Q61-A64 WeakPolarHBondContact O-CB 3.46Å; Q61-A64 PolarHBondContact O-N 3.29Å
62G88.1Confident89.3Confident88 Ų8845 Ų4591%0.90732%0.316SS*.THydrogen-bonded Turntrans6726.1173.200000114.6
63G88Confident89.5Confident44 Ų4449.2 Ų49.245%0.45433%0.333SS..THydrogen-bonded Turntrans88.3-4.3179.400000115.1Q61 A65 G66Q61-G63 VanDerWaalsContact C-N 3.29Å; Q61-G63 PolarHBondContact O-N 2.85Å; G63-A65 PolarHBondContact O-N 3.26Å; G63-A65 VanDerWaalsContact O-N 3.11Å; G63-G66 PolarHBondContact O-N 3.05Å; G63-G66 VanDerWaalsContact O-N 3.08Å
64A89.8Confident90Very high23 Ų2347.6 Ų47.619%0.1932%0.32CS..G310 helixtrans-56.7-31.2-179.500000113.4P57 Q61 G66 V67 V68P57-A64 HydrophobicContact CG-CB 4.43Å; Q61-A64 WeakPolarHBondContact O-CB 3.46Å; Q61-A64 PolarHBondContact O-N 3.29Å; A64-G66 PolarHBondContact O-N 3.49Å; A64-V67 PolarHBondContact O-N 2.78Å; A64-V68 HydrophobicContact CB-CG2 4.24Å; A64-V68 WeakPolarHBondContact O-CB 3.39Å; A64-V68 WeakPolarHBondContact O-CG2 3.35Å; A64-V68 PolarHBondContact O-N 2.98Å
65A90.8Very high90.4Very high2 Ų244.2 Ų44.22%0.01729%0.285CS..G310 helixtrans-59.4-29.6177.900000114.9F22 Y30 M60 G63 T103 F104 N105F22-A65 HydrophobicContact CE1-CB 4.46Å; Y30-A65 WeakPolarHBondContact OH-CB 3.37Å; M60-A65 HydrophobicContact CB-CB 4.13Å; G63-A65 PolarHBondContact O-N 3.26Å; G63-A65 VanDerWaalsContact O-N 3.11Å; A65-T103 WeakPolarHBondContact O-CB 3.47Å; A65-F104 HydrophobicContact CB-CB 4.45Å; A65-F104 HydrophobicContact CB-CD1 4.35Å; A65-F104 PolarHBondContact O-N 3.15Å; A65-N105 PolarHBondContact O-N 3.13Å
66G90.3Very high90.7Very high36 Ų3640.6 Ų40.637%0.37127%0.273SS..G310 helixtrans-104.48.9178.900000114.1G63 A64G63-G66 PolarHBondContact O-N 3.05Å; G63-G66 VanDerWaalsContact O-N 3.08Å; A64-G66 PolarHBondContact O-N 3.49Å
67V91.2Very high90.8Very high114 Ų11446.3 Ų46.369%0.69130%0.297SS*.THydrogen-bonded Turntrans-125.2-39.2-177.5176.30000111.7A64 A69A64-V67 PolarHBondContact O-N 2.78Å; V67-A69 PolarHBondContact O-N 2.79Å; V67-A69 VanDerWaalsContact O-N 3.11Å
68V92.7Very high91.1Very high27 Ų2744.3 Ų44.316%0.16428%0.284CS..  trans-78.9100.2-179.8-178.70000109.1Y55 P57 A64Y55-V68 HydrophobicContact CD1-CG1 4Å; Y55-V68 HydrophobicContact CE1-CG1 3.67Å; P57-V68 HydrophobicContact CG-CG2 4.15Å; A64-V68 HydrophobicContact CB-CG2 4.24Å; A64-V68 WeakPolarHBondContact O-CB 3.39Å; A64-V68 WeakPolarHBondContact O-CG2 3.35Å; A64-V68 PolarHBondContact O-N 2.98Å
69A94.3Very high91.4Very high19 Ų1947 Ų4716%0.15730%0.298CS..PPolyproline II helixtrans-101.6126.9-179.200000112Y55 V67 N101 L102 T103Y55-A69 WeakPolarHBondContact CE1-O 3.08Å; Y55-A69 PolarHBondContact OH-O 2.79Å; V67-A69 PolarHBondContact O-N 2.79Å; V67-A69 VanDerWaalsContact O-N 3.11Å; A69-N101 HydrophobicContact CB-CB 3.99Å; A69-L102 CarbonylContact C-O 3.52Å; A69-L102 VanDerWaalsContact CA-O 3.3Å; A69-L102 WeakPolarHBondContact CA-O 3.47Å; A69-T103 HydrophobicContact CB-CG2 3.9Å
70I94.1Very high91.3Very high0 Ų045.8 Ų45.80%029%0.288CS..BIsolated β-bridgetrans-77.1133.8172.6-67.2178.1000108.8F48 L51 V56 D74 I75 N101 L102F48-I70 HydrophobicContact CD1-CD1 3.77Å; F48-I70 HydrophobicContact CD1-CG1 4.45Å; F48-I70 HydrophobicContact CD2-CD1 3.61Å; F48-I70 HydrophobicContact CD2-CG1 4.37Å; F48-I70 HydrophobicContact CE1-CD1 3.69Å; F48-I70 HydrophobicContact CE1-CG1 3.87Å; F48-I70 HydrophobicContact CE2-CB 4.24Å; F48-I70 HydrophobicContact CE2-CD1 3.54Å; F48-I70 HydrophobicContact CE2-CG1 3.78Å; F48-I70 HydrophobicContact CG-CD1 3.73Å; F48-I70 HydrophobicContact CZ-CB 4.28Å; F48-I70 HydrophobicContact CZ-CD1 3.58Å; F48-I70 HydrophobicContact CZ-CG1 3.5Å; F48-I70 WeakPolarHBondContact O-CD1 3.47Å; L51-I70 HydrophobicContact CB-CD1 3.98Å; L51-I70 HydrophobicContact CB-CG2 4.49Å; L51-I70 HydrophobicContact CD1-CD1 4.5Å; V56-I70 HydrophobicContact CG2-CD1 3.76Å; V56-I70 HydrophobicContact CG2-CG1 3.95Å; I70-D74 HydrophobicContact CG2-CB 3.62Å; I70-I75 HydrophobicContact CB-CD1 3.85Å; I70-I75 HydrophobicContact CB-CG1 4.32Å; I70-I75 HydrophobicContact CG2-CD1 3.63Å; I70-I75 HydrophobicContact CG2-CG1 3.96Å; I70-N101 WeakPolarHBondContact O-CA 3.38Å; I70-L102 PolarHBondContact N-O 3.39Å; I70-L102 PolarHBondContact O-N 2.75Å; I70-L102 VanDerWaalsContact O-N 3.08Å
71P94Very high91.2Very high40 Ų4045.9 Ų45.926%0.2629%0.288SS..PPolyproline II helixtrans-59145.3177.6-24.434.1000113.2E73 D74 I75 N101P71-E73 WeakPolarHBondContact CB-OE2 3.05Å; P71-E73 PolarHBondContact O-N 3.11Å; P71-E73 VanDerWaalsContact O-N 3.11Å; P71-D74 PolarHBondContact O-N 3.04Å; P71-I75 PolarHBondContact O-N 3.44Å; P71-N101 VanDerWaalsContact CA-OD1 3.31Å; P71-N101 WeakPolarHBondContact CA-OD1 3.29Å
72F94Very high91.1Very high26 Ų2647.9 Ų47.911%0.11430%0.296CS..Hα-helixtrans-50.2-38.5178.4170.9-109000112.9D74 I75 E76 R87 Q88 C91 N101F72-D74 PolarHBondContact O-N 2.93Å; F72-D74 VanDerWaalsContact O-N 3.14Å; F72-I75 PolarHBondContact O-N 3.14Å; F72-E76 HydrophobicContact CD2-CB 4.4Å; F72-E76 HydrophobicContact CE1-CB 4.14Å; F72-E76 HydrophobicContact CE1-CG 4.33Å; F72-E76 HydrophobicContact CE2-CB 3.77Å; F72-E76 HydrophobicContact CZ-CB 3.63Å; F72-E76 HydrophobicContact CZ-CG 4.3Å; F72-E76 PolarHBondContact O-N 2.87Å; F72-R87 HydrophobicContact CZ-CG 4.37Å; F72-Q88 HydrophobicContact CE1-CB 4.39Å; F72-Q88 HydrophobicContact CE1-CG 4.29Å; F72-Q88 HydrophobicContact CE2-CB 4.13Å; F72-Q88 HydrophobicContact CE2-CG 4.4Å; F72-Q88 HydrophobicContact CZ-CB 3.71Å; F72-Q88 HydrophobicContact CZ-CG 4.01Å; F72-C91 HydrophobicContact CD2-CB 3.72Å; F72-C91 HydrophobicContact CE2-CB 4Å; F72-N101 PolarHBondContact N-OD1 3Å; F72-N101 VanDerWaalsContact N-OD1 3.14Å
73E93.1Very high91Very high107 Ų10750.5 Ų50.550%0.528%0.284SS..Hα-helixtrans-62.2-25.1-177.8-57.481.9178.900112.8P71 K77P71-E73 WeakPolarHBondContact CB-OE2 3.05Å; P71-E73 PolarHBondContact O-N 3.11Å; P71-E73 VanDerWaalsContact O-N 3.11Å; E73-K77 WeakPolarHBondContact O-CD 3.26Å; E73-K77 WeakPolarHBondContact O-CE 3.38Å; E73-K77 WeakPolarHBondContact O-CG 3.3Å; E73-K77 PolarHBondContact O-NZ 2.75Å
74D93.4Very high91Very high41 Ų4150.4 Ų50.422%0.21927%0.273CS..Hα-helixtrans-88.6-35.4174.3-75.5-20.9000111.5S52 I70 P71 F72 K77S52-D74 PolarHBondContact OG-OD2 3.1Å; I70-D74 HydrophobicContact CG2-CB 3.62Å; P71-D74 PolarHBondContact O-N 3.04Å; F72-D74 PolarHBondContact O-N 2.93Å; F72-D74 VanDerWaalsContact O-N 3.14Å; D74-K77 IonicContact OD1-NZ 3.21Å; D74-K77 PolarHBondContact OD1-NZ 3.01Å
75I93.8Very high90.8Very high0 Ų052.1 Ų52.10%028%0.283CS..Hα-helixtrans-66.7-42.8176.8-60.4-56.1000111.5L51 I70 P71 F72 K77 M78 L81 C91 L102 F107L51-I75 HydrophobicContact CD1-CD1 3.71Å; I70-I75 HydrophobicContact CB-CD1 3.85Å; I70-I75 HydrophobicContact CB-CG1 4.32Å; I70-I75 HydrophobicContact CG2-CD1 3.63Å; I70-I75 HydrophobicContact CG2-CG1 3.96Å; P71-I75 PolarHBondContact O-N 3.44Å; F72-I75 PolarHBondContact O-N 3.14Å; I75-K77 PolarHBondContact O-N 2.87Å; I75-K77 VanDerWaalsContact O-N 3.1Å; I75-M78 HydrophobicContact CG2-CE 4.49Å; I75-M78 WeakPolarHBondContact O-CB 3.21Å; I75-M78 VanDerWaalsContact O-CG 3.25Å; I75-M78 WeakPolarHBondContact O-CG 3.3Å; I75-M78 PolarHBondContact O-N 3.21Å; I75-M78 VanDerWaalsContact O-N 3.1Å; I75-L81 HydrophobicContact CG2-CD1 3.61Å; I75-C91 VanDerWaalsContact CG2-SG 3.52Å; I75-L102 HydrophobicContact CD1-CB 4.44Å; I75-L102 HydrophobicContact CG1-CB 4.37Å; I75-L102 HydrophobicContact CG1-CD1 4.29Å; I75-L102 HydrophobicContact CG1-CG 4.34Å; I75-L102 HydrophobicContact CG2-CD1 3.81Å; I75-F107 HydrophobicContact CD1-CD2 4.25Å; I75-F107 HydrophobicContact CD1-CE2 4.17Å
76E92.5Very high90.8Very high50 Ų5053.1 Ų53.123%0.23429%0.287CS..THydrogen-bonded Turntrans-65.3-18.9-175.675.5168.5142.300113.5F72 M78 K82 R87F72-E76 HydrophobicContact CD2-CB 4.4Å; F72-E76 HydrophobicContact CE1-CB 4.14Å; F72-E76 HydrophobicContact CE1-CG 4.33Å; F72-E76 HydrophobicContact CE2-CB 3.77Å; F72-E76 HydrophobicContact CZ-CB 3.63Å; F72-E76 HydrophobicContact CZ-CG 4.3Å; F72-E76 PolarHBondContact O-N 2.87Å; E76-M78 PolarHBondContact O-N 3.27Å; E76-K82 VanDerWaalsContact O-CA 3.25Å; E76-K82 WeakPolarHBondContact O-CA 3.37Å; E76-K82 WeakPolarHBondContact O-CB 3.08Å; E76-K82 PolarHBondContact O-N 3.14Å; E76-R87 IonicContact OE2-CZ 3.13Å; E76-R87 IonicContact OE2-NE 3.6Å; E76-R87 PolarHBondContact OE2-NE 2.91Å; E76-R87 IonicContact OE2-NH2 2.84Å; E76-R87 PolarHBondContact OE2-NH2 3.11Å
77K90.9Very high90.8Very high124 Ų12455.2 Ų55.254%0.53928%0.283SS..THydrogen-bonded Turntrans-74.2-11.7178.3-65.6170.7-175124.70112.8E73 D74 I75E73-K77 WeakPolarHBondContact O-CD 3.26Å; E73-K77 WeakPolarHBondContact O-CE 3.38Å; E73-K77 WeakPolarHBondContact O-CG 3.3Å; E73-K77 PolarHBondContact O-NZ 2.75Å; D74-K77 IonicContact OD1-NZ 3.21Å; D74-K77 PolarHBondContact OD1-NZ 3.01Å; I75-K77 PolarHBondContact O-N 2.87Å; I75-K77 VanDerWaalsContact O-N 3.1Å
78M91.7Very high90.9Very high2 Ų255 Ų551%0.0128%0.275CS..SBendtrans-61.7136.1178-69.8-162-36.100111R47 L51 I75 E76 E80 L81 K82 F107 M110 F111R47-M78 PolarHBondContact NE-SD 3.45Å; R47-M78 PolarHBondContact NH2-SD 3.11Å; L51-M78 HydrophobicContact CD1-CG 4.15Å; L51-M78 HydrophobicContact CD1-SD 3.68Å; L51-M78 HydrophobicContact CD2-CG 3.62Å; L51-M78 HydrophobicContact CD2-SD 4.15Å; I75-M78 HydrophobicContact CG2-CE 4.49Å; I75-M78 WeakPolarHBondContact O-CB 3.21Å; I75-M78 VanDerWaalsContact O-CG 3.25Å; I75-M78 WeakPolarHBondContact O-CG 3.3Å; I75-M78 PolarHBondContact O-N 3.21Å; I75-M78 VanDerWaalsContact O-N 3.1Å; E76-M78 PolarHBondContact O-N 3.27Å; M78-E80 PolarHBondContact O-N 3.28Å; M78-L81 HydrophobicContact CE-CD1 3.75Å; M78-L81 HydrophobicContact CE-CG 4.12Å; M78-L81 PolarHBondContact O-N 3.33Å; M78-K82 WeakPolarHBondContact O-CB 3.44Å; M78-K82 PolarHBondContact O-N 3.23Å; M78-F107 HydrophobicContact CE-CE2 4.11Å; M78-F107 HydrophobicContact CE-CZ 4.47Å; M78-F107 HydrophobicContact SD-CE2 3.73Å; M78-F107 HydrophobicContact SD-CZ 3.84Å; M78-M110 HydrophobicContact CE-CE 4.06Å; M78-F111 HydrophobicContact CE-CE2 3.93Å; M78-F111 HydrophobicContact CE-CZ 3.56Å; M78-F111 HydrophobicContact SD-CZ 4.25Å
79P88.7Confident90.8Very high108 Ų10854.5 Ų54.570%0.70127%0.27SS*.Hα-helixtrans-49.8-31.6179.1-29.334.8000115.4L81P79-L81 VanDerWaalsContact C-N 3.33Å
80E85.5Confident90.7Very high31 Ų3153.9 Ų53.915%0.14526%0.264CS..Hα-helixtrans-70-28.4-179.5-70.984.1164.300113.4R47 M78 V201R47-E80 IonicContact CZ-OE1 3.87Å; R47-E80 IonicContact CZ-OE2 2.75Å; R47-E80 IonicContact NH1-OE1 2.59Å; R47-E80 PolarHBondContact NH1-OE1 2.97Å; R47-E80 IonicContact NH1-OE2 2.79Å; R47-E80 IonicContact NH2-OE1 3.91Å; R47-E80 PolarHBondContact NH2-OE1 3.19Å; R47-E80 IonicContact NH2-OE2 3.83Å; R47-E80 PolarHBondContact NH2-OE2 3.11Å; M78-E80 PolarHBondContact O-N 3.28Å; E80-V201 HydrophobicContact CB-CG1 3.34Å; E80-V201 HydrophobicContact CG-CG1 3.22Å
81L88.4Confident90.7Very high2 Ų253.9 Ų53.91%0.0126%0.264CS..Hα-helixtrans-112.2-33.3-174-68.3-177.5000111.6I75 M78 P79 E83 N84 R87 I90 M110I75-L81 HydrophobicContact CG2-CD1 3.61Å; M78-L81 HydrophobicContact CE-CD1 3.75Å; M78-L81 HydrophobicContact CE-CG 4.12Å; M78-L81 PolarHBondContact O-N 3.33Å; P79-L81 VanDerWaalsContact C-N 3.33Å; L81-E83 VanDerWaalsContact C-N 3.27Å; L81-E83 PolarHBondContact O-N 3.14Å; L81-E83 VanDerWaalsContact O-N 3.14Å; L81-N84 WeakPolarHBondContact O-CA 3.33Å; L81-N84 WeakPolarHBondContact O-CB 3.5Å; L81-N84 PolarHBondContact O-N 3.09Å; L81-R87 HydrophobicContact CB-CB 3.94Å; L81-R87 HydrophobicContact CD2-CB 4.4Å; L81-R87 VanDerWaalsContact O-CB 3.24Å; L81-R87 WeakPolarHBondContact O-CB 3.28Å; L81-R87 WeakPolarHBondContact O-CD 3.46Å; L81-I90 HydrophobicContact CD2-CD1 4.22Å; L81-I90 HydrophobicContact CD2-CG2 4.18Å; L81-M110 HydrophobicContact CD1-SD 4.49Å
82K87.8Confident90.7Very high122 Ų12254.4 Ų54.453%0.5326%0.263SS..Hα-helixtrans-55.8-39.7-169.6-171.8-175.2174.2-164.50113.8E76 M78E76-K82 VanDerWaalsContact O-CA 3.25Å; E76-K82 WeakPolarHBondContact O-CA 3.37Å; E76-K82 WeakPolarHBondContact O-CB 3.08Å; E76-K82 PolarHBondContact O-N 3.14Å; M78-K82 WeakPolarHBondContact O-CB 3.44Å; M78-K82 PolarHBondContact O-N 3.23Å
83E86.7Confident90.7Very high143 Ų14354.4 Ų54.467%0.66827%0.265SS*.THydrogen-bonded Turntrans-93.1-1.5179.1-56.2-56.8138.900112.8L81L81-E83 VanDerWaalsContact C-N 3.27Å; L81-E83 PolarHBondContact O-N 3.14Å; L81-E83 VanDerWaalsContact O-N 3.14Å
84N86.6Confident90.7Very high41 Ų4149.9 Ų49.922%0.21924%0.244CC..  trans-85.3122.3179.7-167.3-35.4000110L81 F86 R87 I90L81-N84 WeakPolarHBondContact O-CA 3.33Å; L81-N84 WeakPolarHBondContact O-CB 3.5Å; L81-N84 PolarHBondContact O-N 3.09Å; N84-F86 PolarHBondContact O-N 2.94Å; N84-F86 PolarHBondContact OD1-N 2.93Å; N84-R87 HydrophobicContact CB-CB 4.41Å; N84-R87 WeakPolarHBondContact O-CB 3.48Å; N84-R87 WeakPolarHBondContact O-CG 3.49Å; N84-R87 PolarHBondContact O-N 3Å; N84-R87 PolarHBondContact O-NH1 3.12Å; N84-I90 WeakPolarHBondContact ND2-CD1 3.25Å
85P86.7Confident90.8Very high59 Ų5948.3 Ų48.338%0.38324%0.236SC..THydrogen-bonded Turntrans-63-27.6177.424.4-32.8000112.9C150P85-C150 HydrophobicContact CB-CB 4.44Å; P85-C150 WeakPolarHBondContact CB-O 3.04Å
86F89.5Confident90.5Very high24 Ų2452.7 Ų52.711%0.10527%0.272CS..THydrogen-bonded Turntrans-90.68.1180-61.4-76.7000113.7N84 Q88 R89 I90 I130 Y131 A147 C150 M151N84-F86 PolarHBondContact O-N 2.94Å; N84-F86 PolarHBondContact OD1-N 2.93Å; F86-Q88 VanDerWaalsContact C-N 3.28Å; F86-Q88 PolarHBondContact O-N 3.47Å; F86-Q88 VanDerWaalsContact O-N 3.15Å; F86-R89 PolarHBondContact O-N 3.43Å; F86-I90 HydrophobicContact CB-CD1 4.17Å; F86-I90 HydrophobicContact CB-CG1 4.28Å; F86-I90 WeakPolarHBondContact O-CG1 3.2Å; F86-I90 PolarHBondContact O-N 2.64Å; F86-I130 HydrophobicContact CB-CG2 4.12Å; F86-I130 HydrophobicContact CD1-CG2 4.11Å; F86-I130 HydrophobicContact CG-CG2 4.27Å; F86-Y131 HydrophobicContact CE1-CE1 4.2Å; F86-Y131 AromaticContact CZ-CE1 3.97Å; F86-Y131 HydrophobicContact CZ-CE1 3.97Å; F86-A147 HydrophobicContact CE1-CB 4.17Å; F86-A147 HydrophobicContact CZ-CB 4.44Å; F86-C150 HydrophobicContact CE1-CB 4.18Å; F86-M151 HydrophobicContact CE2-CG 3.68Å; F86-M151 HydrophobicContact CE2-SD 4.03Å; F86-M151 HydrophobicContact CZ-CE 4.48Å; F86-M151 HydrophobicContact CZ-CG 3.57Å; F86-M151 HydrophobicContact CZ-SD 3.91Å
87R91.6Very high90.4Very high79 Ų7955.8 Ų55.830%0.29829%0.29SS..Hα-helixtrans-53-41.1-173.366.7-173.8-176.4-79.7-4.6114.4F72 E76 L81 N84 C91F72-R87 HydrophobicContact CZ-CG 4.37Å; E76-R87 IonicContact OE2-CZ 3.13Å; E76-R87 IonicContact OE2-NE 3.6Å; E76-R87 PolarHBondContact OE2-NE 2.91Å; E76-R87 IonicContact OE2-NH2 2.84Å; E76-R87 PolarHBondContact OE2-NH2 3.11Å; L81-R87 HydrophobicContact CB-CB 3.94Å; L81-R87 HydrophobicContact CD2-CB 4.4Å; L81-R87 VanDerWaalsContact O-CB 3.24Å; L81-R87 WeakPolarHBondContact O-CB 3.28Å; L81-R87 WeakPolarHBondContact O-CD 3.46Å; N84-R87 HydrophobicContact CB-CB 4.41Å; N84-R87 WeakPolarHBondContact O-CB 3.48Å; N84-R87 WeakPolarHBondContact O-CG 3.49Å; N84-R87 PolarHBondContact O-N 3Å; N84-R87 PolarHBondContact O-NH1 3.12Å; R87-C91 PolarHBondContact O-N 2.84Å; R87-C91 PolarHBondContact O-SG 2.94Å
88Q91.8Very high90.3Very high110 Ų11051.5 Ų51.551%0.51428%0.282SS..Hα-helixtrans-64.2-45.4178-175.3174.43.400110.8F72 F86 C91 Q92F72-Q88 HydrophobicContact CE1-CB 4.39Å; F72-Q88 HydrophobicContact CE1-CG 4.29Å; F72-Q88 HydrophobicContact CE2-CB 4.13Å; F72-Q88 HydrophobicContact CE2-CG 4.4Å; F72-Q88 HydrophobicContact CZ-CB 3.71Å; F72-Q88 HydrophobicContact CZ-CG 4.01Å; F86-Q88 VanDerWaalsContact C-N 3.28Å; F86-Q88 PolarHBondContact O-N 3.47Å; F86-Q88 VanDerWaalsContact O-N 3.15Å; Q88-C91 PolarHBondContact O-N 3.38Å; Q88-Q92 VanDerWaalsContact O-CG 3.3Å; Q88-Q92 WeakPolarHBondContact O-CG 3.21Å; Q88-Q92 PolarHBondContact O-N 2.9Å
89R90.7Very high90.3Very high16 Ų1653.5 Ų53.56%0.0630%0.303CS..Hα-helixtrans-69-40.3-178.6-169.763.2-163144.6-1112.2F86 C91 Q92 V93 R129 I130 D132 F133F86-R89 PolarHBondContact O-N 3.43Å; R89-C91 VanDerWaalsContact C-N 3.32Å; R89-C91 PolarHBondContact O-N 2.94Å; R89-Q92 PolarHBondContact O-N 3.31Å; R89-V93 VanDerWaalsContact O-CG2 3.32Å; R89-V93 WeakPolarHBondContact O-CG2 3.26Å; R89-V93 PolarHBondContact O-N 2.85Å; R89-R129 PolarHBondContact NH2-O 3.24Å; R89-R129 VanDerWaalsContact NH2-O 3.16Å; R89-I130 HydrophobicContact CB-CG2 4.29Å; R89-I130 HydrophobicContact CG-CB 4.33Å; R89-I130 HydrophobicContact CG-CG2 3.89Å; R89-I130 WeakPolarHBondContact CG-O 3.34Å; R89-D132 PolarHBondContact NH2-O 2.88Å; R89-F133 HydrophobicContact CB-CE1 4.42Å; R89-F133 HydrophobicContact CG-CD1 4.48Å; R89-F133 HydrophobicContact CG-CE1 4.14Å; R89-F133 HydrophobicContact CG-CZ 4.48Å
90I92.6Very high90.5Very high6 Ų648.4 Ų48.43%0.03127%0.27CS..Hα-helixtrans-53.5-52.2171-68165000109.5L81 N84 F86 Q92 V93 F94 M110 L114 I130L81-I90 HydrophobicContact CD2-CD1 4.22Å; L81-I90 HydrophobicContact CD2-CG2 4.18Å; N84-I90 WeakPolarHBondContact ND2-CD1 3.25Å; F86-I90 HydrophobicContact CB-CD1 4.17Å; F86-I90 HydrophobicContact CB-CG1 4.28Å; F86-I90 WeakPolarHBondContact O-CG1 3.2Å; F86-I90 PolarHBondContact O-N 2.64Å; I90-Q92 VanDerWaalsContact C-N 3.35Å; I90-Q92 PolarHBondContact O-N 3.3Å; I90-V93 PolarHBondContact O-N 3.45Å; I90-F94 HydrophobicContact CG2-CD2 4.13Å; I90-F94 HydrophobicContact CG2-CE2 4.32Å; I90-F94 VanDerWaalsContact O-CD2 3.31Å; I90-F94 WeakPolarHBondContact O-CD2 3.39Å; I90-F94 PolarHBondContact O-N 2.98Å; I90-M110 HydrophobicContact CG2-CG 4.36Å; I90-M110 HydrophobicContact CG2-SD 4.05Å; I90-L114 HydrophobicContact CG2-CD1 4.49Å; I90-I130 HydrophobicContact CG1-CD1 3.74Å; I90-I130 HydrophobicContact CG1-CG1 4.28Å
91C94.5Very high91Very high0 Ų049.6 Ų49.60%028%0.277CS..Hα-helixtrans-61.7-41.1178.9-66.60000112.5F72 I75 R87 Q88 R89 V93 F94 S95 L102F72-C91 HydrophobicContact CD2-CB 3.72Å; F72-C91 HydrophobicContact CE2-CB 4Å; I75-C91 VanDerWaalsContact CG2-SG 3.52Å; R87-C91 PolarHBondContact O-N 2.84Å; R87-C91 PolarHBondContact O-SG 2.94Å; Q88-C91 PolarHBondContact O-N 3.38Å; R89-C91 VanDerWaalsContact C-N 3.32Å; R89-C91 PolarHBondContact O-N 2.94Å; C91-V93 PolarHBondContact O-N 3.15Å; C91-F94 PolarHBondContact O-N 2.66Å; C91-S95 WeakPolarHBondContact O-CB 3.37Å; C91-S95 PolarHBondContact O-N 2.59Å; C91-L102 WeakPolarHBondContact O-CD2 3.26Å
92Q94.2Very high91.3Very high51 Ų5149.5 Ų49.524%0.23828%0.277CS..Hα-helixtrans-63.5-38.9177.9-72.2172.8-20.300112.9Q88 R89 I90 S95 G98Q88-Q92 VanDerWaalsContact O-CG 3.3Å; Q88-Q92 WeakPolarHBondContact O-CG 3.21Å; Q88-Q92 PolarHBondContact O-N 2.9Å; R89-Q92 PolarHBondContact O-N 3.31Å; I90-Q92 VanDerWaalsContact C-N 3.35Å; I90-Q92 PolarHBondContact O-N 3.3Å; Q92-S95 PolarHBondContact O-N 3.34Å; Q92-G98 WeakPolarHBondContact CG-O 3.49Å
93V93.6Very high91.7Very high26 Ų2644.5 Ų44.516%0.15826%0.256CS..Hα-helixtrans-68.5-35.7-179.7168.80000112.2R89 I90 C91 Y126 R129 I130R89-V93 VanDerWaalsContact O-CG2 3.32Å; R89-V93 WeakPolarHBondContact O-CG2 3.26Å; R89-V93 PolarHBondContact O-N 2.85Å; I90-V93 PolarHBondContact O-N 3.45Å; C91-V93 PolarHBondContact O-N 3.15Å; V93-Y126 HydrophobicContact CG1-CD1 3.87Å; V93-Y126 HydrophobicContact CG1-CE1 4.38Å; V93-R129 HydrophobicContact CG1-CB 3.77Å; V93-R129 HydrophobicContact CG2-CB 4.17Å; V93-R129 VanDerWaalsContact CG2-O 3.27Å; V93-R129 WeakPolarHBondContact CG2-O 3.44Å; V93-I130 HydrophobicContact CB-CG1 4.34Å; V93-I130 HydrophobicContact CG2-CG1 3.95Å
94F94.1Very high92.1Very high13 Ų1337.7 Ų37.76%0.05722%0.224CC..Hα-helixtrans-85.8-20.3176.8-75.9-76.9000113.4I90 C91 A96 L102 D106 D109 M110 A113 Y126I90-F94 HydrophobicContact CG2-CD2 4.13Å; I90-F94 HydrophobicContact CG2-CE2 4.32Å; I90-F94 VanDerWaalsContact O-CD2 3.31Å; I90-F94 WeakPolarHBondContact O-CD2 3.39Å; I90-F94 PolarHBondContact O-N 2.98Å; C91-F94 PolarHBondContact O-N 2.66Å; F94-A96 PolarHBondContact O-N 3.36Å; F94-L102 HydrophobicContact CB-CD2 4.13Å; F94-D106 VanDerWaalsContact O-CB 3.26Å; F94-D106 WeakPolarHBondContact O-CB 3.5Å; F94-D109 HydrophobicContact CD1-CB 4.16Å; F94-D109 HydrophobicContact CE1-CB 4.45Å; F94-M110 HydrophobicContact CB-CB 4.07Å; F94-M110 VanDerWaalsContact CD1-CA 3.41Å; F94-M110 HydrophobicContact CD1-CB 3.82Å; F94-M110 HydrophobicContact CD2-CB 3.82Å; F94-M110 HydrophobicContact CD2-CG 3.65Å; F94-M110 HydrophobicContact CD2-SD 4.48Å; F94-M110 HydrophobicContact CE1-CB 4.22Å; F94-M110 HydrophobicContact CE2-CB 4.24Å; F94-M110 HydrophobicContact CE2-CG 3.96Å; F94-M110 HydrophobicContact CG-CB 3.61Å; F94-M110 HydrophobicContact CG-CG 4Å; F94-M110 HydrophobicContact CZ-CB 4.43Å; F94-A113 HydrophobicContact CE1-CB 3.82Å; F94-A113 HydrophobicContact CZ-CB 3.62Å; F94-Y126 HydrophobicContact CD1-CD1 4.47Å; F94-Y126 AromaticContact CD1-CE1 3.85Å; F94-Y126 HydrophobicContact CD1-CE1 3.85Å; F94-Y126 AromaticContact CE1-CD1 3.66Å; F94-Y126 HydrophobicContact CE1-CD1 3.66Å; F94-Y126 HydrophobicContact CE1-CD2 4.37Å; F94-Y126 AromaticContact CE1-CE1 3.17Å; F94-Y126 HydrophobicContact CE1-CE1 3.17Å; F94-Y126 AromaticContact CE1-CE2 3.96Å; F94-Y126 HydrophobicContact CE1-CE2 3.96Å; F94-Y126 HydrophobicContact CE1-CG 4.23Å; F94-Y126 AromaticContact CE1-CZ 3.34Å; F94-Y126 HydrophobicContact CE2-CD1 4Å; F94-Y126 HydrophobicContact CE2-CE1 4.32Å; F94-Y126 HydrophobicContact CE2-CG 4.46Å; F94-Y126 AromaticContact CZ-CD1 3.36Å; F94-Y126 HydrophobicContact CZ-CD1 3.36Å; F94-Y126 HydrophobicContact CZ-CD2 4.06Å; F94-Y126 AromaticContact CZ-CE1 3.44Å; F94-Y126 HydrophobicContact CZ-CE1 3.44Å; F94-Y126 VanDerWaalsContact CZ-CE1 3.44Å; F94-Y126 HydrophobicContact CZ-CE2 4.12Å; F94-Y126 AromaticContact CZ-CG 3.68Å; F94-Y126 HydrophobicContact CZ-CG 3.68Å; F94-Y126 AromaticContact CZ-CZ 3.83Å
95S93.9Very high92.5Very high7 Ų738.4 Ų38.45%0.04923%0.228CC..SBendtrans-73.3119.2177.6-178.60000110.3C91 Q92 D97 G98 G100 N101C91-S95 WeakPolarHBondContact O-CB 3.37Å; C91-S95 PolarHBondContact O-N 2.59Å; Q92-S95 PolarHBondContact O-N 3.34Å; S95-D97 PolarHBondContact O-N 2.87Å; S95-D97 VanDerWaalsContact O-N 3.12Å; S95-D97 PolarHBondContact OG-OD1 3.48Å; S95-G98 PolarHBondContact O-N 3.5Å; S95-G100 PolarHBondContact OG-N 2.91Å; S95-N101 WeakPolarHBondContact CB-O 3.49Å; S95-N101 PolarHBondContact OG-N 3.39Å; S95-N101 PolarHBondContact OG-O 3.11Å
96A89.2Confident92.9Very high93 Ų9336.2 Ų36.277%0.76921%0.214SC*.THydrogen-bonded Turntrans-60.2-24-178.600000114F94F94-A96 PolarHBondContact O-N 3.36Å
97D89.2Confident93.1Very high114 Ų11435.1 Ų35.161%0.6121%0.209SC*.THydrogen-bonded Turntrans-96-1.5176.172.36.5000113.7S95 G99S95-D97 PolarHBondContact O-N 2.87Å; S95-D97 VanDerWaalsContact O-N 3.12Å; S95-D97 PolarHBondContact OG-OD1 3.48Å; D97-G99 PolarHBondContact O-N 2.87Å; D97-G99 WeakPolarHBondContact OD1-CA 3.42Å; D97-G99 PolarHBondContact OD1-N 3.44Å
98G89.4Confident93.3Very high35 Ų3531.4 Ų31.436%0.36120%0.195SC..SBendtrans69.41.7-176.800000114.7Q92 S95 G100Q92-G98 WeakPolarHBondContact CG-O 3.49Å; S95-G98 PolarHBondContact O-N 3.5Å; G98-G100 VanDerWaalsContact C-N 3.31Å
99G92.4Very high93.3Very high44 Ų4429.2 Ų29.245%0.45419%0.186SC..SBendtrans-78.7-14.9-178.400000113.6D97 N101D97-G99 PolarHBondContact O-N 2.87Å; D97-G99 WeakPolarHBondContact OD1-CA 3.42Å; D97-G99 PolarHBondContact OD1-N 3.44Å; G99-N101 VanDerWaalsContact C-N 3.3Å
100G92.4Very high93.4Very high1 Ų128.5 Ų28.51%0.0118%0.184CC..SBendtrans860.4-176.500000113.8S95 G98S95-G100 PolarHBondContact OG-N 2.91Å; G98-G100 VanDerWaalsContact C-N 3.31Å
101N95.4Very high93.4Very high56 Ų5628.3 Ų28.330%0.29918%0.183SC..  trans-79.1132169.4-55.5-42.9000108.3A69 I70 P71 F72 S95 G99A69-N101 HydrophobicContact CB-CB 3.99Å; I70-N101 WeakPolarHBondContact O-CA 3.38Å; P71-N101 VanDerWaalsContact CA-OD1 3.31Å; P71-N101 WeakPolarHBondContact CA-OD1 3.29Å; F72-N101 PolarHBondContact N-OD1 3Å; F72-N101 VanDerWaalsContact N-OD1 3.14Å; S95-N101 WeakPolarHBondContact CB-O 3.49Å; S95-N101 PolarHBondContact OG-N 3.39Å; S95-N101 PolarHBondContact OG-O 3.11Å; G99-N101 VanDerWaalsContact C-N 3.3Å
102L96Very high93.3Very high0 Ų028.6 Ų28.60%019%0.185CC..BIsolated β-bridgetrans-110.5121.9-173.9-60.5-175.2000110.8F48 A69 I70 I75 C91 F94 D106 F107 M110F48-L102 WeakPolarHBondContact CE2-O 3.45Å; F48-L102 WeakPolarHBondContact CZ-O 3.33Å; A69-L102 CarbonylContact C-O 3.52Å; A69-L102 VanDerWaalsContact CA-O 3.3Å; A69-L102 WeakPolarHBondContact CA-O 3.47Å; I70-L102 PolarHBondContact N-O 3.39Å; I70-L102 PolarHBondContact O-N 2.75Å; I70-L102 VanDerWaalsContact O-N 3.08Å; I75-L102 HydrophobicContact CD1-CB 4.44Å; I75-L102 HydrophobicContact CG1-CB 4.37Å; I75-L102 HydrophobicContact CG1-CD1 4.29Å; I75-L102 HydrophobicContact CG1-CG 4.34Å; I75-L102 HydrophobicContact CG2-CD1 3.81Å; C91-L102 WeakPolarHBondContact O-CD2 3.26Å; F94-L102 HydrophobicContact CB-CD2 4.13Å; L102-D106 HydrophobicContact CB-CB 4.22Å; L102-D106 HydrophobicContact CD2-CB 3.89Å; L102-F107 HydrophobicContact CD1-CD2 4.32Å; L102-M110 HydrophobicContact CD1-CE 3.83Å; L102-M110 HydrophobicContact CD1-SD 3.77Å
103T95.8Very high93Very high16 Ų1626.4 Ų26.410%0.09818%0.175CC..  trans-69.5171.8162.570.70000110.2A65 A69 N105 D106 F107A65-T103 WeakPolarHBondContact O-CB 3.47Å; A69-T103 HydrophobicContact CB-CG2 3.9Å; T103-N105 VanDerWaalsContact C-N 3.27Å; T103-N105 PolarHBondContact O-N 2.98Å; T103-N105 PolarHBondContact OG1-N 3.42Å; T103-D106 WeakPolarHBondContact CB-OD2 3.31Å; T103-D106 WeakPolarHBondContact CG2-OD2 3.44Å; T103-D106 PolarHBondContact N-OD2 3.43Å; T103-D106 PolarHBondContact O-N 2.94Å; T103-D106 PolarHBondContact OG1-N 3.05Å; T103-D106 PolarHBondContact OG1-OD1 3.23Å; T103-D106 PolarHBondContact OG1-OD2 3.29Å; T103-F107 VanDerWaalsContact O-CB 3.26Å; T103-F107 WeakPolarHBondContact O-CB 3.31Å; T103-F107 PolarHBondContact O-N 3.4Å
104F95.2Very high92.6Very high0 Ų025.8 Ų25.80%017%0.171CC..Hα-helixtrans-67.4-32.5175.7-178.7-109.2000112F22 Y30 I41 L44 Y45 F48 M60 A65 F107 L108F22-F104 AromaticContact CE1-CD1 3.67Å; F22-F104 HydrophobicContact CE1-CD1 3.67Å; F22-F104 AromaticContact CE1-CE1 3.54Å; F22-F104 HydrophobicContact CE1-CE1 3.54Å; F22-F104 HydrophobicContact CE2-CE1 4.07Å; F22-F104 HydrophobicContact CE2-CZ 4.32Å; F22-F104 AromaticContact CZ-CD1 3.58Å; F22-F104 HydrophobicContact CZ-CD1 3.58Å; F22-F104 AromaticContact CZ-CE1 3.15Å; F22-F104 HydrophobicContact CZ-CE1 3.15Å; F22-F104 HydrophobicContact CZ-CG 4.41Å; F22-F104 AromaticContact CZ-CZ 3.71Å; F22-F104 HydrophobicContact CZ-CZ 3.71Å; Y30-F104 HydrophobicContact CE2-CD1 4.46Å; Y30-F104 HydrophobicContact CE2-CE1 4.05Å; I41-F104 HydrophobicContact CG2-CE1 4.32Å; I41-F104 HydrophobicContact CG2-CZ 4.16Å; L44-F104 HydrophobicContact CB-CE2 4.37Å; Y45-F104 VanDerWaalsContact CA-CE2 3.42Å; Y45-F104 HydrophobicContact CD2-CD2 4.34Å; Y45-F104 HydrophobicContact CD2-CE2 4.32Å; F48-F104 HydrophobicContact CB-CD2 3.99Å; F48-F104 HydrophobicContact CB-CE2 4.39Å; F48-F104 HydrophobicContact CD1-CB 4.33Å; F48-F104 HydrophobicContact CD1-CD2 4.18Å; F48-F104 HydrophobicContact CD2-CD2 4.28Å; F48-F104 HydrophobicContact CE1-CB 4.14Å; F48-F104 AromaticContact CG-CD2 3.91Å; F48-F104 HydrophobicContact CG-CD2 3.91Å; F48-F104 HydrophobicContact CZ-CB 4.22Å; M60-F104 HydrophobicContact CE-CB 3.45Å; M60-F104 VanDerWaalsContact CE-CB 3.45Å; M60-F104 HydrophobicContact CE-CG 4.11Å; A65-F104 HydrophobicContact CB-CB 4.45Å; A65-F104 HydrophobicContact CB-CD1 4.35Å; A65-F104 PolarHBondContact O-N 3.15Å; F104-F107 PolarHBondContact O-N 3.03Å; F104-L108 HydrophobicContact CD1-CD1 4.02Å; F104-L108 HydrophobicContact CD1-CG 4.28Å; F104-L108 HydrophobicContact CE1-CD1 3.42Å; F104-L108 VanDerWaalsContact CE1-CD1 3.42Å; F104-L108 HydrophobicContact CE1-CD2 4.26Å; F104-L108 HydrophobicContact CE1-CG 3.77Å; F104-L108 HydrophobicContact CE2-CD2 4.23Å; F104-L108 HydrophobicContact CE2-CG 4.15Å; F104-L108 HydrophobicContact CZ-CD1 3.81Å; F104-L108 HydrophobicContact CZ-CD2 3.75Å; F104-L108 HydrophobicContact CZ-CG 3.69Å; F104-L108 WeakPolarHBondContact O-CG 3.5Å; F104-L108 PolarHBondContact O-N 3.27Å
105N94.7Very high92.2Very high56 Ų5625.6 Ų25.630%0.29917%0.172SC..Hα-helixtrans-62.6-51.1173.2-69.6-3000110.5Y30 A65 T103 F107 L108 D109Y30-N105 VanDerWaalsContact CE1-OD1 3.3Å; Y30-N105 WeakPolarHBondContact CE1-OD1 3.36Å; Y30-N105 PolarHBondContact OH-OD1 3.29Å; A65-N105 PolarHBondContact O-N 3.13Å; T103-N105 VanDerWaalsContact C-N 3.27Å; T103-N105 PolarHBondContact O-N 2.98Å; T103-N105 PolarHBondContact OG1-N 3.42Å; N105-F107 PolarHBondContact O-N 2.97Å; N105-L108 WeakPolarHBondContact O-CB 3.41Å; N105-L108 PolarHBondContact O-N 3.16Å; N105-D109 PolarHBondContact O-N 3.29Å
106D95.2Very high91.7Very high14 Ų1433 Ų338%0.07521%0.206CC..Hα-helixtrans-58.7-39.2177.2-52.9-29.7000111.7F94 L102 T103 D109 M110F94-D106 VanDerWaalsContact O-CB 3.26Å; F94-D106 WeakPolarHBondContact O-CB 3.5Å; L102-D106 HydrophobicContact CB-CB 4.22Å; L102-D106 HydrophobicContact CD2-CB 3.89Å; T103-D106 WeakPolarHBondContact CB-OD2 3.31Å; T103-D106 WeakPolarHBondContact CG2-OD2 3.44Å; T103-D106 PolarHBondContact N-OD2 3.43Å; T103-D106 PolarHBondContact O-N 2.94Å; T103-D106 PolarHBondContact OG1-N 3.05Å; T103-D106 PolarHBondContact OG1-OD1 3.23Å; T103-D106 PolarHBondContact OG1-OD2 3.29Å; D106-D109 PolarHBondContact O-N 3.21Å; D106-M110 VanDerWaalsContact O-CB 3.31Å; D106-M110 WeakPolarHBondContact O-CB 3.27Å; D106-M110 PolarHBondContact O-N 3.16Å
107F94.4Very high91.4Very high0 Ų032.9 Ų32.90%020%0.199CC..Hα-helixtrans-65-41.7177.2-166.2-95.3000111.8L44 R47 F48 L51 I75 M78 L102 T103 F104 N105 M110 F111L44-F107 HydrophobicContact CB-CE1 4.39Å; L44-F107 HydrophobicContact CD2-CE1 4.14Å; R47-F107 HydrophobicContact CG-CZ 4.23Å; F48-F107 HydrophobicContact CB-CD1 4.42Å; F48-F107 HydrophobicContact CB-CE1 4.31Å; F48-F107 HydrophobicContact CD2-CB 3.93Å; F48-F107 HydrophobicContact CD2-CD1 4.12Å; F48-F107 AromaticContact CD2-CD2 3.83Å; F48-F107 HydrophobicContact CD2-CD2 3.83Å; F48-F107 HydrophobicContact CD2-CE2 4.26Å; F48-F107 AromaticContact CD2-CG 3.72Å; F48-F107 HydrophobicContact CD2-CG 3.72Å; F48-F107 HydrophobicContact CE2-CB 4.11Å; F48-F107 HydrophobicContact CE2-CD2 4.35Å; F48-F107 HydrophobicContact CE2-CG 4.32Å; L51-F107 HydrophobicContact CD1-CE2 3.77Å; L51-F107 HydrophobicContact CD1-CZ 4.04Å; I75-F107 HydrophobicContact CD1-CD2 4.25Å; I75-F107 HydrophobicContact CD1-CE2 4.17Å; M78-F107 HydrophobicContact CE-CE2 4.11Å; M78-F107 HydrophobicContact CE-CZ 4.47Å; M78-F107 HydrophobicContact SD-CE2 3.73Å; M78-F107 HydrophobicContact SD-CZ 3.84Å; L102-F107 HydrophobicContact CD1-CD2 4.32Å; T103-F107 VanDerWaalsContact O-CB 3.26Å; T103-F107 WeakPolarHBondContact O-CB 3.31Å; T103-F107 PolarHBondContact O-N 3.4Å; F104-F107 PolarHBondContact O-N 3.03Å; N105-F107 PolarHBondContact O-N 2.97Å; F107-M110 HydrophobicContact CD2-CE 4Å; F107-M110 HydrophobicContact CE2-CE 4.24Å; F107-F111 AromaticContact CD1-CD2 3.76Å; F107-F111 HydrophobicContact CD1-CD2 3.76Å; F107-F111 AromaticContact CD1-CE2 3.89Å; F107-F111 HydrophobicContact CD1-CE2 3.89Å; F107-F111 HydrophobicContact CD2-CD2 4.49Å; F107-F111 HydrophobicContact CD2-CE2 4.09Å; F107-F111 AromaticContact CE1-CD2 3.63Å; F107-F111 HydrophobicContact CE1-CD2 3.63Å; F107-F111 AromaticContact CE1-CE2 3.38Å; F107-F111 HydrophobicContact CE1-CE2 3.38Å; F107-F111 HydrophobicContact CE1-CZ 4.45Å; F107-F111 HydrophobicContact CE2-CD2 4.39Å; F107-F111 AromaticContact CE2-CE2 3.61Å; F107-F111 HydrophobicContact CE2-CE2 3.61Å; F107-F111 HydrophobicContact CG-CD2 4.22Å; F107-F111 HydrophobicContact CG-CE2 4.23Å; F107-F111 AromaticContact CZ-CD2 3.99Å; F107-F111 HydrophobicContact CZ-CD2 3.99Å; F107-F111 AromaticContact CZ-CE2 3.25Å; F107-F111 HydrophobicContact CZ-CE2 3.25Å; F107-F111 HydrophobicContact CZ-CZ 4.11Å; F107-F111 VanDerWaalsContact O-CD2 3.27Å; F107-F111 WeakPolarHBondContact O-CD2 3.38Å; F107-F111 PolarHBondContact O-N 2.89Å; F107-F111 VanDerWaalsContact O-N 3.12Å
108L94.1Very high91.3Very high1 Ų127.8 Ų27.81%0.00517%0.172CC..Hα-helixtrans-63.3-45.6173.8-78-179.4000111.3Y30 T34 F36 I41 L44 F104 N105 M110 F111 S112Y30-L108 HydrophobicContact CD1-CD1 3.45Å; Y30-L108 VanDerWaalsContact CD1-CD1 3.45Å; Y30-L108 HydrophobicContact CD2-CD1 4Å; Y30-L108 HydrophobicContact CE1-CD1 3.69Å; Y30-L108 HydrophobicContact CE2-CD1 4.22Å; Y30-L108 HydrophobicContact CG-CD1 3.62Å; T34-L108 HydrophobicContact CG2-CB 4.48Å; F36-L108 HydrophobicContact CD2-CD2 4.2Å; F36-L108 HydrophobicContact CE2-CD2 4.47Å; I41-L108 HydrophobicContact CG1-CD2 4.48Å; L44-L108 HydrophobicContact CB-CD2 4.09Å; L44-L108 HydrophobicContact CD1-CD2 3.57Å; L44-L108 HydrophobicContact CG-CD2 4.49Å; F104-L108 HydrophobicContact CD1-CD1 4.02Å; F104-L108 HydrophobicContact CD1-CG 4.28Å; F104-L108 HydrophobicContact CE1-CD1 3.42Å; F104-L108 VanDerWaalsContact CE1-CD1 3.42Å; F104-L108 HydrophobicContact CE1-CD2 4.26Å; F104-L108 HydrophobicContact CE1-CG 3.77Å; F104-L108 HydrophobicContact CE2-CD2 4.23Å; F104-L108 HydrophobicContact CE2-CG 4.15Å; F104-L108 HydrophobicContact CZ-CD1 3.81Å; F104-L108 HydrophobicContact CZ-CD2 3.75Å; F104-L108 HydrophobicContact CZ-CG 3.69Å; F104-L108 WeakPolarHBondContact O-CG 3.5Å; F104-L108 PolarHBondContact O-N 3.27Å; N105-L108 WeakPolarHBondContact O-CB 3.41Å; N105-L108 PolarHBondContact O-N 3.16Å; L108-M110 VanDerWaalsContact C-N 3.34Å; L108-M110 PolarHBondContact O-N 3.38Å; L108-F111 PolarHBondContact O-N 2.81Å; L108-S112 WeakPolarHBondContact O-CB 3.35Å; L108-S112 PolarHBondContact O-N 3.28Å
109D92.5Very high91.2Very high64 Ų6429.1 Ų29.134%0.34218%0.175SC..Hα-helixtrans-61.8-44.2179.3-70.1-15.9000111.1F94 N105 D106 F111 S112 A113F94-D109 HydrophobicContact CD1-CB 4.16Å; F94-D109 HydrophobicContact CE1-CB 4.45Å; N105-D109 PolarHBondContact O-N 3.29Å; D106-D109 PolarHBondContact O-N 3.21Å; D109-F111 PolarHBondContact O-N 3.2Å; D109-S112 PolarHBondContact O-N 3.14Å; D109-A113 WeakPolarHBondContact O-CB 3.39Å; D109-A113 PolarHBondContact O-N 2.84Å
110M93.1Very high90.8Very high1 Ų130.9 Ų30.91%0.00517%0.173CC..Hα-helixtrans-55.7-53.5175.1-176.7-17967.700111.8M78 L81 I90 F94 L102 D106 F107 L108 S112 L114M78-M110 HydrophobicContact CE-CE 4.06Å; L81-M110 HydrophobicContact CD1-SD 4.49Å; I90-M110 HydrophobicContact CG2-CG 4.36Å; I90-M110 HydrophobicContact CG2-SD 4.05Å; F94-M110 HydrophobicContact CB-CB 4.07Å; F94-M110 VanDerWaalsContact CD1-CA 3.41Å; F94-M110 HydrophobicContact CD1-CB 3.82Å; F94-M110 HydrophobicContact CD2-CB 3.82Å; F94-M110 HydrophobicContact CD2-CG 3.65Å; F94-M110 HydrophobicContact CD2-SD 4.48Å; F94-M110 HydrophobicContact CE1-CB 4.22Å; F94-M110 HydrophobicContact CE2-CB 4.24Å; F94-M110 HydrophobicContact CE2-CG 3.96Å; F94-M110 HydrophobicContact CG-CB 3.61Å; F94-M110 HydrophobicContact CG-CG 4Å; F94-M110 HydrophobicContact CZ-CB 4.43Å; L102-M110 HydrophobicContact CD1-CE 3.83Å; L102-M110 HydrophobicContact CD1-SD 3.77Å; D106-M110 VanDerWaalsContact O-CB 3.31Å; D106-M110 WeakPolarHBondContact O-CB 3.27Å; D106-M110 PolarHBondContact O-N 3.16Å; F107-M110 HydrophobicContact CD2-CE 4Å; F107-M110 HydrophobicContact CE2-CE 4.24Å; L108-M110 VanDerWaalsContact C-N 3.34Å; L108-M110 PolarHBondContact O-N 3.38Å; M110-S112 VanDerWaalsContact C-N 3.33Å; M110-S112 PolarHBondContact O-N 2.99Å; M110-L114 HydrophobicContact CG-CD1 3.87Å; M110-L114 WeakPolarHBondContact O-CB 3.08Å; M110-L114 WeakPolarHBondContact O-CG 3.39Å; M110-L114 PolarHBondContact O-N 2.7Å
111F92.4Very high90.7Very high2 Ų235.9 Ų35.91%0.00920%0.2CC..Hα-helixtrans-69.8-32.1-179.8-81.6-73.4000112.5F36 L44 M78 F107 L108 D109 S115 I203F36-F111 HydrophobicContact CE2-CB 4.07Å; F36-F111 VanDerWaalsContact CZ-C 3.45Å; F36-F111 HydrophobicContact CZ-CB 3.83Å; F36-F111 WeakPolarHBondContact CZ-O 3.26Å; L44-F111 HydrophobicContact CD1-CB 4.13Å; L44-F111 HydrophobicContact CD2-CB 4.19Å; L44-F111 HydrophobicContact CD2-CD1 4.35Å; L44-F111 HydrophobicContact CD2-CD2 3.84Å; L44-F111 HydrophobicContact CD2-CE2 4.36Å; L44-F111 HydrophobicContact CD2-CG 3.85Å; M78-F111 HydrophobicContact CE-CE2 3.93Å; M78-F111 HydrophobicContact CE-CZ 3.56Å; M78-F111 HydrophobicContact SD-CZ 4.25Å; F107-F111 AromaticContact CD1-CD2 3.76Å; F107-F111 HydrophobicContact CD1-CD2 3.76Å; F107-F111 AromaticContact CD1-CE2 3.89Å; F107-F111 HydrophobicContact CD1-CE2 3.89Å; F107-F111 HydrophobicContact CD2-CD2 4.49Å; F107-F111 HydrophobicContact CD2-CE2 4.09Å; F107-F111 AromaticContact CE1-CD2 3.63Å; F107-F111 HydrophobicContact CE1-CD2 3.63Å; F107-F111 AromaticContact CE1-CE2 3.38Å; F107-F111 HydrophobicContact CE1-CE2 3.38Å; F107-F111 HydrophobicContact CE1-CZ 4.45Å; F107-F111 HydrophobicContact CE2-CD2 4.39Å; F107-F111 AromaticContact CE2-CE2 3.61Å; F107-F111 HydrophobicContact CE2-CE2 3.61Å; F107-F111 HydrophobicContact CG-CD2 4.22Å; F107-F111 HydrophobicContact CG-CE2 4.23Å; F107-F111 AromaticContact CZ-CD2 3.99Å; F107-F111 HydrophobicContact CZ-CD2 3.99Å; F107-F111 AromaticContact CZ-CE2 3.25Å; F107-F111 HydrophobicContact CZ-CE2 3.25Å; F107-F111 HydrophobicContact CZ-CZ 4.11Å; F107-F111 VanDerWaalsContact O-CD2 3.27Å; F107-F111 WeakPolarHBondContact O-CD2 3.38Å; F107-F111 PolarHBondContact O-N 2.89Å; F107-F111 VanDerWaalsContact O-N 3.12Å; L108-F111 PolarHBondContact O-N 2.81Å; D109-F111 PolarHBondContact O-N 3.2Å; F111-S115 WeakPolarHBondContact O-CB 3.48Å; F111-S115 PolarHBondContact O-N 3.08Å; F111-I203 HydrophobicContact CB-CD1 4.39Å; F111-I203 HydrophobicContact CD1-CD1 3.56Å; F111-I203 HydrophobicContact CD1-CG1 3.77Å; F111-I203 HydrophobicContact CE1-CD1 4.35Å; F111-I203 HydrophobicContact CE1-CG1 4.06Å; F111-I203 HydrophobicContact CG-CD1 4.43Å
112S91.4Very high90.4Very high7 Ų735.7 Ų35.75%0.04920%0.199CC..Hα-helixtrans-64-49.6177.6-174.80000110.1T34 F35 L108 D109 M110 S115 A118T34-S112 WeakPolarHBondContact CB-OG 3.04Å; F35-S112 WeakPolarHBondContact CD2-OG 3.36Å; F35-S112 PolarHBondContact N-OG 3.3Å; L108-S112 WeakPolarHBondContact O-CB 3.35Å; L108-S112 PolarHBondContact O-N 3.28Å; D109-S112 PolarHBondContact O-N 3.14Å; M110-S112 VanDerWaalsContact C-N 3.33Å; M110-S112 PolarHBondContact O-N 2.99Å; S112-S115 WeakPolarHBondContact O-CB 3.32Å; S112-S115 PolarHBondContact O-N 2.9Å; S112-S115 PolarHBondContact O-OG 2.92Å; S112-A118 WeakPolarHBondContact O-CB 3.47Å
113A88.8Confident89.9Confident4 Ų437 Ų373%0.03321%0.205CC..Hα-helixtrans-66-37.5178.500000113.4F94 D109 S115 A118 L122 Y126F94-A113 HydrophobicContact CE1-CB 3.82Å; F94-A113 HydrophobicContact CZ-CB 3.62Å; D109-A113 WeakPolarHBondContact O-CB 3.39Å; D109-A113 PolarHBondContact O-N 2.84Å; A113-S115 VanDerWaalsContact C-N 3.28Å; A113-S115 PolarHBondContact O-N 3.44Å; A113-A118 VanDerWaalsContact O-CB 3.28Å; A113-A118 WeakPolarHBondContact O-CB 3.43Å; A113-L122 HydrophobicContact CB-CD2 4.42Å; A113-Y126 HydrophobicContact CB-CD2 3.51Å; A113-Y126 HydrophobicContact CB-CE2 3.41Å; A113-Y126 VanDerWaalsContact CB-CE2 3.41Å; A113-Y126 HydrophobicContact CB-CG 4.34Å
114L86.1Confident89.6Confident13 Ų1336.4 Ų36.47%0.06820%0.201CC..Hα-helixtrans-81.4-5.8178.2-64176.3000113.4I90 M110 F199 V201I90-L114 HydrophobicContact CG2-CD1 4.49Å; M110-L114 HydrophobicContact CG-CD1 3.87Å; M110-L114 WeakPolarHBondContact O-CB 3.08Å; M110-L114 WeakPolarHBondContact O-CG 3.39Å; M110-L114 PolarHBondContact O-N 2.7Å; L114-F199 HydrophobicContact CD2-CE1 3.98Å; L114-F199 HydrophobicContact CD2-CZ 4.44Å; L114-V201 HydrophobicContact CD1-CG2 4.18Å
115S86Confident89.4Confident10 Ų1039 Ų397%0.0722%0.215CC..SBendtrans-66.8154.8-179.3750000112.4F111 S112 A113 S117 A118 K123F111-S115 WeakPolarHBondContact O-CB 3.48Å; F111-S115 PolarHBondContact O-N 3.08Å; S112-S115 WeakPolarHBondContact O-CB 3.32Å; S112-S115 PolarHBondContact O-N 2.9Å; S112-S115 PolarHBondContact O-OG 2.92Å; A113-S115 VanDerWaalsContact C-N 3.28Å; A113-S115 PolarHBondContact O-N 3.44Å; S115-S117 PolarHBondContact O-N 3.18Å; S115-A118 PolarHBondContact O-N 3.47Å; S115-A118 PolarHBondContact OG-N 3.43Å; S115-K123 WeakPolarHBondContact O-CE 3.35Å; S115-K123 PolarHBondContact O-NZ 3.18Å
116E81.8Confident89.2Confident163 Ų16338.2 Ų38.276%0.76221%0.207SC*.THydrogen-bonded Turntrans-60.8-29.8173.4-67.8-175172.100112.2A118E116-A118 VanDerWaalsContact C-N 3.34Å
117S83.5Confident89Confident89 Ų8937.5 Ų37.562%0.62220%0.204SC*.THydrogen-bonded Turntrans-78.5-14.4-178.8-55.10000114.1S115S115-S117 PolarHBondContact O-N 3.18Å
118A86.2Confident88.8Confident7 Ų738.1 Ų38.16%0.05821%0.206CC..SBendtrans-66.4136.9177.500000111.5F35 S112 A113 S115 E116 L122 K123F35-A118 HydrophobicContact CD2-CB 4.28Å; F35-A118 HydrophobicContact CE2-CB 3.93Å; S112-A118 WeakPolarHBondContact O-CB 3.47Å; A113-A118 VanDerWaalsContact O-CB 3.28Å; A113-A118 WeakPolarHBondContact O-CB 3.43Å; S115-A118 PolarHBondContact O-N 3.47Å; S115-A118 PolarHBondContact OG-N 3.43Å; E116-A118 VanDerWaalsContact C-N 3.34Å; A118-L122 HydrophobicContact CB-CD2 4.19Å; A118-K123 HydrophobicContact CB-CG 4.38Å; A118-K123 VanDerWaalsContact O-CE 3.29Å; A118-K123 WeakPolarHBondContact O-CE 3.32Å
119P87.8Confident88.8Confident64 Ų6444 Ų4442%0.41623%0.228SC..  trans-64.6153.4178.627.6-33.9000111F35 D121 L122 K123F35-P119 HydrophobicContact CZ-CG 4.35Å; P119-D121 VanDerWaalsContact C-N 3.32Å; P119-D121 PolarHBondContact O-N 2.76Å; P119-L122 HydrophobicContact CG-CB 3.82Å; P119-L122 PolarHBondContact O-N 3.02Å; P119-K123 PolarHBondContact O-N 3.32Å
120L84.9Confident88.7Confident80 Ų8041 Ų4142%0.41921%0.213SC..Hα-helixtrans-57.2-45.9-178-179.959.8000111.7L122 K123 L124L120-L122 VanDerWaalsContact C-N 3.25Å; L120-L122 PolarHBondContact O-N 2.73Å; L120-K123 CarbonylContact O-C 3.59Å; L120-K123 WeakPolarHBondContact O-CA 3.36Å; L120-K123 WeakPolarHBondContact O-CB 3.08Å; L120-K123 PolarHBondContact O-N 2.75Å; L120-L124 HydrophobicContact CD1-CD1 4.33Å; L120-L124 HydrophobicContact CD1-CD2 4.45Å; L120-L124 HydrophobicContact CD1-CG 4.1Å; L120-L124 HydrophobicContact CD2-CD1 4.44Å; L120-L124 HydrophobicContact CG-CD1 3.89Å; L120-L124 HydrophobicContact CG-CG 4.14Å; L120-L124 WeakPolarHBondContact O-CG 3.38Å; L120-L124 PolarHBondContact O-N 3.48Å
121D88.7Confident88.6Confident106 Ų10643.2 Ų43.257%0.56722%0.221SC*.Hα-helixtrans-58.4-37.6-178.1-51.4-12.1000112.2P119 L124 N125P119-D121 VanDerWaalsContact C-N 3.32Å; P119-D121 PolarHBondContact O-N 2.76Å; D121-L124 PolarHBondContact O-N 2.79Å; D121-N125 WeakPolarHBondContact O-CB 3.13Å; D121-N125 PolarHBondContact O-N 2.7Å
122L89.2Confident88.6Confident53 Ų5343.6 Ų43.628%0.27722%0.223SC..Hα-helixtrans-65.7-42.9175.3-174.967.2000110.9F35 A113 A118 P119 L120 N125 Y126F35-L122 HydrophobicContact CE2-CD2 4.12Å; A113-L122 HydrophobicContact CB-CD2 4.42Å; A118-L122 HydrophobicContact CB-CD2 4.19Å; P119-L122 HydrophobicContact CG-CB 3.82Å; P119-L122 PolarHBondContact O-N 3.02Å; L120-L122 VanDerWaalsContact C-N 3.25Å; L120-L122 PolarHBondContact O-N 2.73Å; L122-N125 PolarHBondContact O-N 3.23Å; L122-Y126 HydrophobicContact CD1-CD2 4.06Å; L122-Y126 HydrophobicContact CD1-CE2 3.61Å; L122-Y126 HydrophobicContact CG-CD2 4.03Å; L122-Y126 HydrophobicContact CG-CE2 3.91Å; L122-Y126 VanDerWaalsContact O-CD2 3.26Å; L122-Y126 WeakPolarHBondContact O-CD2 3.13Å; L122-Y126 PolarHBondContact O-N 3.14Å; L122-Y126 VanDerWaalsContact O-N 3.08Å
123K86.9Confident88.5Confident28 Ų2845.2 Ų45.212%0.12223%0.23CC..Hα-helixtrans-64.7-42.1177.6-65.6179.7-179.6-178.90111.5S115 A118 P119 L120 N125 Y126 A127S115-K123 WeakPolarHBondContact O-CE 3.35Å; S115-K123 PolarHBondContact O-NZ 3.18Å; A118-K123 HydrophobicContact CB-CG 4.38Å; A118-K123 VanDerWaalsContact O-CE 3.29Å; A118-K123 WeakPolarHBondContact O-CE 3.32Å; P119-K123 PolarHBondContact O-N 3.32Å; L120-K123 CarbonylContact O-C 3.59Å; L120-K123 WeakPolarHBondContact O-CA 3.36Å; L120-K123 WeakPolarHBondContact O-CB 3.08Å; L120-K123 PolarHBondContact O-N 2.75Å; K123-N125 VanDerWaalsContact C-N 3.34Å; K123-Y126 PolarHBondContact O-N 3.03Å; K123-A127 VanDerWaalsContact O-CB 3.26Å; K123-A127 WeakPolarHBondContact O-CB 3.29Å; K123-A127 PolarHBondContact O-N 3.48Å
124L89.2Confident88.7Confident3 Ų349.2 Ų49.22%0.01625%0.25CS..Hα-helixtrans-61.9-42.8176.1-68.8174.8000111.2L120 D121 A127 F128 E186 V189 F195L120-L124 HydrophobicContact CD1-CD1 4.33Å; L120-L124 HydrophobicContact CD1-CD2 4.45Å; L120-L124 HydrophobicContact CD1-CG 4.1Å; L120-L124 HydrophobicContact CD2-CD1 4.44Å; L120-L124 HydrophobicContact CG-CD1 3.89Å; L120-L124 HydrophobicContact CG-CG 4.14Å; L120-L124 WeakPolarHBondContact O-CG 3.38Å; L120-L124 PolarHBondContact O-N 3.48Å; D121-L124 PolarHBondContact O-N 2.79Å; L124-A127 PolarHBondContact O-N 2.86Å; L124-F128 WeakPolarHBondContact O-CB 3.31Å; L124-F128 PolarHBondContact O-N 3.24Å; L124-E186 HydrophobicContact CD1-CG 4.08Å; L124-V189 HydrophobicContact CD2-CB 4.12Å; L124-V189 HydrophobicContact CD2-CG1 3.37Å; L124-F195 HydrophobicContact CD2-CD1 4.39Å; L124-F195 HydrophobicContact CD2-CE1 3.77Å; L124-F195 HydrophobicContact CD2-CZ 4.32Å
125N91.2Very high88.9Confident55 Ų5554.9 Ų54.929%0.29428%0.277SS..Hα-helixtrans-60.6-46.7176.3-170.8-99.4000112.9D121 L122 K123 F128 R129 Y182D121-N125 WeakPolarHBondContact O-CB 3.13Å; D121-N125 PolarHBondContact O-N 2.7Å; L122-N125 PolarHBondContact O-N 3.23Å; K123-N125 VanDerWaalsContact C-N 3.34Å; N125-F128 PolarHBondContact O-N 2.85Å; N125-R129 WeakPolarHBondContact O-CG 3.46Å; N125-R129 PolarHBondContact O-N 3.47Å; N125-R129 VanDerWaalsContact O-N 3.16Å; N125-Y182 HydrophobicContact CB-CE2 4.43Å
126Y91Very high89.2Confident38 Ų3858.3 Ų58.315%0.14929%0.294CS..Hα-helixtrans-68.9-38.7176.7-80.5-68.8000112.8V93 F94 A113 L122 K123 F128 R129 I130V93-Y126 HydrophobicContact CG1-CD1 3.87Å; V93-Y126 HydrophobicContact CG1-CE1 4.38Å; F94-Y126 HydrophobicContact CD1-CD1 4.47Å; F94-Y126 AromaticContact CD1-CE1 3.85Å; F94-Y126 HydrophobicContact CD1-CE1 3.85Å; F94-Y126 AromaticContact CE1-CD1 3.66Å; F94-Y126 HydrophobicContact CE1-CD1 3.66Å; F94-Y126 HydrophobicContact CE1-CD2 4.37Å; F94-Y126 AromaticContact CE1-CE1 3.17Å; F94-Y126 HydrophobicContact CE1-CE1 3.17Å; F94-Y126 AromaticContact CE1-CE2 3.96Å; F94-Y126 HydrophobicContact CE1-CE2 3.96Å; F94-Y126 HydrophobicContact CE1-CG 4.23Å; F94-Y126 AromaticContact CE1-CZ 3.34Å; F94-Y126 HydrophobicContact CE2-CD1 4Å; F94-Y126 HydrophobicContact CE2-CE1 4.32Å; F94-Y126 HydrophobicContact CE2-CG 4.46Å; F94-Y126 AromaticContact CZ-CD1 3.36Å; F94-Y126 HydrophobicContact CZ-CD1 3.36Å; F94-Y126 HydrophobicContact CZ-CD2 4.06Å; F94-Y126 AromaticContact CZ-CE1 3.44Å; F94-Y126 HydrophobicContact CZ-CE1 3.44Å; F94-Y126 VanDerWaalsContact CZ-CE1 3.44Å; F94-Y126 HydrophobicContact CZ-CE2 4.12Å; F94-Y126 AromaticContact CZ-CG 3.68Å; F94-Y126 HydrophobicContact CZ-CG 3.68Å; F94-Y126 AromaticContact CZ-CZ 3.83Å; A113-Y126 HydrophobicContact CB-CD2 3.51Å; A113-Y126 HydrophobicContact CB-CE2 3.41Å; A113-Y126 VanDerWaalsContact CB-CE2 3.41Å; A113-Y126 HydrophobicContact CB-CG 4.34Å; L122-Y126 HydrophobicContact CD1-CD2 4.06Å; L122-Y126 HydrophobicContact CD1-CE2 3.61Å; L122-Y126 HydrophobicContact CG-CD2 4.03Å; L122-Y126 HydrophobicContact CG-CE2 3.91Å; L122-Y126 VanDerWaalsContact O-CD2 3.26Å; L122-Y126 WeakPolarHBondContact O-CD2 3.13Å; L122-Y126 PolarHBondContact O-N 3.14Å; L122-Y126 VanDerWaalsContact O-N 3.08Å; K123-Y126 PolarHBondContact O-N 3.03Å; Y126-F128 VanDerWaalsContact C-N 3.33Å; Y126-F128 PolarHBondContact O-N 2.96Å; Y126-R129 PolarHBondContact O-N 3.26Å; Y126-I130 WeakPolarHBondContact O-CD1 3.21Å; Y126-I130 VanDerWaalsContact O-CG1 3.31Å; Y126-I130 WeakPolarHBondContact O-CG1 3.48Å; Y126-I130 PolarHBondContact O-N 2.9Å
127A89.1Confident89.8Confident0 Ų052.3 Ų52.30%028%0.276CS..Hα-helixtrans-60.5-45.8175.500000111K123 L124 R129 I130 Y131 F185 F195 F199K123-A127 VanDerWaalsContact O-CB 3.26Å; K123-A127 WeakPolarHBondContact O-CB 3.29Å; K123-A127 PolarHBondContact O-N 3.48Å; L124-A127 PolarHBondContact O-N 2.86Å; A127-R129 VanDerWaalsContact C-N 3.33Å; A127-R129 PolarHBondContact O-N 3.24Å; A127-I130 WeakPolarHBondContact O-CA 3.35Å; A127-I130 WeakPolarHBondContact O-CB 3.27Å; A127-I130 PolarHBondContact O-N 3.43Å; A127-Y131 WeakPolarHBondContact O-CD2 3.43Å; A127-Y131 PolarHBondContact O-N 3.42Å; A127-F185 HydrophobicContact CB-CE1 4.39Å; A127-F185 HydrophobicContact CB-CZ 4.22Å; A127-F195 HydrophobicContact CB-CE2 4.3Å; A127-F195 HydrophobicContact CB-CZ 3.56Å; A127-F199 HydrophobicContact CB-CD2 4.26Å; A127-F199 HydrophobicContact CB-CE1 4.24Å; A127-F199 HydrophobicContact CB-CE2 3.77Å; A127-F199 HydrophobicContact CB-CZ 3.76Å
128F91.6Very high90.3Very high12 Ų1251.8 Ų51.85%0.05327%0.265CS..Hα-helixtrans-54.6-48.8175.2-175-92.9000111.4L124 N125 Y126 I130 Y131 D132 G137 I139 Y182 F185L124-F128 WeakPolarHBondContact O-CB 3.31Å; L124-F128 PolarHBondContact O-N 3.24Å; N125-F128 PolarHBondContact O-N 2.85Å; Y126-F128 VanDerWaalsContact C-N 3.33Å; Y126-F128 PolarHBondContact O-N 2.96Å; F128-I130 PolarHBondContact O-N 2.83Å; F128-Y131 PolarHBondContact O-N 3.29Å; F128-D132 HydrophobicContact CE1-CB 4.39Å; F128-D132 WeakPolarHBondContact O-CB 3.28Å; F128-D132 PolarHBondContact O-N 3.09Å; F128-G137 WeakPolarHBondContact CE1-O 3.39Å; F128-G137 VanDerWaalsContact CZ-O 3.26Å; F128-G137 WeakPolarHBondContact CZ-O 3.42Å; F128-I139 HydrophobicContact CD2-CD1 3.54Å; F128-I139 HydrophobicContact CD2-CG1 4.14Å; F128-I139 HydrophobicContact CE2-CD1 3.57Å; F128-I139 HydrophobicContact CE2-CG1 3.75Å; F128-I139 HydrophobicContact CG-CD1 4.38Å; F128-I139 HydrophobicContact CZ-CD1 4.41Å; F128-I139 HydrophobicContact CZ-CG1 4.14Å; F128-Y182 HydrophobicContact CB-CD2 4.02Å; F128-Y182 HydrophobicContact CB-CE2 4.27Å; F128-Y182 HydrophobicContact CD1-CD2 4.25Å; F128-Y182 HydrophobicContact CD2-CD2 4.07Å; F128-Y182 AromaticContact CG-CD2 3.84Å; F128-Y182 HydrophobicContact CG-CD2 3.84Å; F128-F185 HydrophobicContact CB-CD1 4.12Å; F128-F185 HydrophobicContact CB-CE1 4.05Å; F128-F185 HydrophobicContact CD2-CB 3.77Å; F128-F185 AromaticContact CD2-CD1 3.76Å; F128-F185 HydrophobicContact CD2-CD1 3.76Å; F128-F185 HydrophobicContact CD2-CD2 4.25Å; F128-F185 HydrophobicContact CD2-CE1 4.4Å; F128-F185 AromaticContact CD2-CG 3.67Å; F128-F185 HydrophobicContact CD2-CG 3.67Å; F128-F185 HydrophobicContact CE2-CB 4Å; F128-F185 HydrophobicContact CE2-CG 4.34Å; F128-F185 HydrophobicContact CG-CD1 4.45Å
129R92.6Very high90.6Very high124 Ų12451.5 Ų51.547%0.46826%0.262SS..Hα-helixtrans-63.3-26.9176.5-71.1178.3172.3-174.8-0.5114.4R89 V93 N125 Y126 A127 D132R89-R129 PolarHBondContact NH2-O 3.24Å; R89-R129 VanDerWaalsContact NH2-O 3.16Å; V93-R129 HydrophobicContact CG1-CB 3.77Å; V93-R129 HydrophobicContact CG2-CB 4.17Å; V93-R129 VanDerWaalsContact CG2-O 3.27Å; V93-R129 WeakPolarHBondContact CG2-O 3.44Å; N125-R129 WeakPolarHBondContact O-CG 3.46Å; N125-R129 PolarHBondContact O-N 3.47Å; N125-R129 VanDerWaalsContact O-N 3.16Å; Y126-R129 PolarHBondContact O-N 3.26Å; A127-R129 VanDerWaalsContact C-N 3.33Å; A127-R129 PolarHBondContact O-N 3.24Å; R129-D132 VanDerWaalsContact O-O 3.12Å
130I91.6Very high90.8Very high3 Ų348.6 Ų48.62%0.01524%0.244CC..Hα-helixtrans-73.1-39.9173.9-72.1158.4000109.8F86 R89 I90 V93 Y126 A127 F128 F199F86-I130 HydrophobicContact CB-CG2 4.12Å; F86-I130 HydrophobicContact CD1-CG2 4.11Å; F86-I130 HydrophobicContact CG-CG2 4.27Å; R89-I130 HydrophobicContact CB-CG2 4.29Å; R89-I130 HydrophobicContact CG-CB 4.33Å; R89-I130 HydrophobicContact CG-CG2 3.89Å; R89-I130 WeakPolarHBondContact CG-O 3.34Å; I90-I130 HydrophobicContact CG1-CD1 3.74Å; I90-I130 HydrophobicContact CG1-CG1 4.28Å; V93-I130 HydrophobicContact CB-CG1 4.34Å; V93-I130 HydrophobicContact CG2-CG1 3.95Å; Y126-I130 WeakPolarHBondContact O-CD1 3.21Å; Y126-I130 VanDerWaalsContact O-CG1 3.31Å; Y126-I130 WeakPolarHBondContact O-CG1 3.48Å; Y126-I130 PolarHBondContact O-N 2.9Å; A127-I130 WeakPolarHBondContact O-CA 3.35Å; A127-I130 WeakPolarHBondContact O-CB 3.27Å; A127-I130 PolarHBondContact O-N 3.43Å; F128-I130 PolarHBondContact O-N 2.83Å; I130-F199 HydrophobicContact CD1-CE2 4.01Å; I130-F199 HydrophobicContact CD1-CZ 3.67Å
131Y90.4Very high91.2Very high46 Ų4648 Ų4818%0.1824%0.239CC..Hα-helixtrans-75.3-35.8177.9-74.5-72.1000113.3F86 A127 F128 F133 D143 A147 F185F86-Y131 HydrophobicContact CE1-CE1 4.2Å; F86-Y131 AromaticContact CZ-CE1 3.97Å; F86-Y131 HydrophobicContact CZ-CE1 3.97Å; A127-Y131 WeakPolarHBondContact O-CD2 3.43Å; A127-Y131 PolarHBondContact O-N 3.42Å; F128-Y131 PolarHBondContact O-N 3.29Å; Y131-F133 WeakPolarHBondContact O-CD2 3.33Å; Y131-F133 PolarHBondContact O-N 3.22Å; Y131-F133 VanDerWaalsContact O-N 3.08Å; Y131-D143 WeakPolarHBondContact O-CB 3.26Å; Y131-A147 HydrophobicContact CD1-CB 3.76Å; Y131-A147 HydrophobicContact CE1-CB 3.93Å; Y131-F185 AromaticContact CD2-CE2 3.81Å; Y131-F185 HydrophobicContact CD2-CE2 3.81Å; Y131-F185 AromaticContact CD2-CZ 3.85Å; Y131-F185 HydrophobicContact CD2-CZ 3.85Å; Y131-F185 HydrophobicContact CE2-CE2 4.28Å; Y131-F185 HydrophobicContact CE2-CZ 4.2Å; Y131-F185 HydrophobicContact CG-CE2 4.47Å
132D92.8Very high91.5Very high10 Ų1047.5 Ų47.55%0.05324%0.236CC..  trans-70.895.3172.8174.83.4000109.2R89 F128 R129 Q135 D136 G137 M138 I139R89-D132 PolarHBondContact NH2-O 2.88Å; F128-D132 HydrophobicContact CE1-CB 4.39Å; F128-D132 WeakPolarHBondContact O-CB 3.28Å; F128-D132 PolarHBondContact O-N 3.09Å; R129-D132 VanDerWaalsContact O-O 3.12Å; D132-Q135 WeakPolarHBondContact OD1-CA 3.37Å; D132-Q135 PolarHBondContact OD1-N 3.49Å; D132-Q135 WeakPolarHBondContact OD2-CA 3.22Å; D132-D136 PolarHBondContact OD1-N 3.35Å; D132-G137 WeakPolarHBondContact OD2-CA 3.36Å; D132-G137 PolarHBondContact OD2-N 3.12Å; D132-M138 VanDerWaalsContact CG-O 3.32Å; D132-I139 HydrophobicContact CB-CG1 4.38Å
133F90.3Very high91.7Very high42 Ų4245.1 Ų45.118%0.18422%0.224CC..SBendtrans-81.6-35.9-176.3-77-98.2000112R89 Y131 D143 K146 A147R89-F133 HydrophobicContact CB-CE1 4.42Å; R89-F133 HydrophobicContact CG-CD1 4.48Å; R89-F133 HydrophobicContact CG-CE1 4.14Å; R89-F133 HydrophobicContact CG-CZ 4.48Å; Y131-F133 WeakPolarHBondContact O-CD2 3.33Å; Y131-F133 PolarHBondContact O-N 3.22Å; Y131-F133 VanDerWaalsContact O-N 3.08Å; F133-D143 WeakPolarHBondContact CA-OD1 3.46Å; F133-D143 VanDerWaalsContact CB-OD1 3.28Å; F133-D143 WeakPolarHBondContact CB-OD1 3.37Å; F133-D143 HydrophobicContact CD2-CB 4.31Å; F133-D143 PolarHBondContact N-OD1 3.35Å; F133-K146 HydrophobicContact CB-CD 3.81Å; F133-K146 HydrophobicContact CD1-CB 4.39Å; F133-K146 HydrophobicContact CD1-CD 3.99Å; F133-K146 HydrophobicContact CD2-CB 3.89Å; F133-K146 HydrophobicContact CD2-CD 4.05Å; F133-K146 HydrophobicContact CE1-CB 4.23Å; F133-K146 HydrophobicContact CE2-CB 3.74Å; F133-K146 HydrophobicContact CG-CB 4.24Å; F133-K146 HydrophobicContact CG-CD 3.7Å; F133-K146 HydrophobicContact CZ-CB 3.92Å; F133-A147 HydrophobicContact CE2-CB 4.22Å
134D91.9Very high91.9Very high87 Ų8744.5 Ų44.547%0.46522%0.222SC..SBendtrans-86.3-9.8-177.974.91.3000113.9D136 D143D134-D136 VanDerWaalsContact C-N 3.35Å; D134-D136 WeakPolarHBondContact OD1-CB 3.43Å; D134-D136 PolarHBondContact OD1-N 3.47Å; D134-D136 VanDerWaalsContact OD1-N 3.11Å; D134-D143 PolarHBondContact N-OD1 2.97Å
135Q90.2Very high92Very high133 Ų13347 Ų4762%0.62123%0.234SC*.  trans66.732.1175.9-56.3171.141.200113.3D132 G137D132-Q135 WeakPolarHBondContact OD1-CA 3.37Å; D132-Q135 PolarHBondContact OD1-N 3.49Å; D132-Q135 WeakPolarHBondContact OD2-CA 3.22Å; Q135-G137 VanDerWaalsContact C-N 3.26Å
136D92.9Very high92Very high81 Ų8148.4 Ų48.443%0.43324%0.237SC..SBendtrans-81.4-7.5176.282.8-9.5000113.2D132 D134 M138D132-D136 PolarHBondContact OD1-N 3.35Å; D134-D136 VanDerWaalsContact C-N 3.35Å; D134-D136 WeakPolarHBondContact OD1-CB 3.43Å; D134-D136 PolarHBondContact OD1-N 3.47Å; D134-D136 VanDerWaalsContact OD1-N 3.11Å; D136-M138 WeakPolarHBondContact OD1-CA 3.39Å; D136-M138 WeakPolarHBondContact OD1-CB 3.46Å; D136-M138 PolarHBondContact OD1-N 3.03Å; D136-M138 VanDerWaalsContact OD1-O 3.13Å
137G93.1Very high91.9Very high37 Ų3746.7 Ų46.738%0.38123%0.231SC..SBendtrans85.49.6-179.300000113.9F128 D132 Q135F128-G137 WeakPolarHBondContact CE1-O 3.39Å; F128-G137 VanDerWaalsContact CZ-O 3.26Å; F128-G137 WeakPolarHBondContact CZ-O 3.42Å; D132-G137 WeakPolarHBondContact OD2-CA 3.36Å; D132-G137 PolarHBondContact OD2-N 3.12Å; Q135-G137 VanDerWaalsContact C-N 3.26Å
138M94.2Very high91.9Very high78 Ų7847 Ų4738%0.38423%0.232SC..SBendtrans-128.5169.3174.8-57.1-61.4-176.500109.1D132 D136 F179D132-M138 VanDerWaalsContact CG-O 3.32Å; D136-M138 WeakPolarHBondContact OD1-CA 3.39Å; D136-M138 WeakPolarHBondContact OD1-CB 3.46Å; D136-M138 PolarHBondContact OD1-N 3.03Å; D136-M138 VanDerWaalsContact OD1-O 3.13Å; M138-F179 HydrophobicContact CB-CB 4.05Å; M138-F179 HydrophobicContact CB-CD1 4.14Å; M138-F179 HydrophobicContact CB-CG 4.43Å; M138-F179 HydrophobicContact CG-CB 4.46Å
139I93.2Very high91.7Very high2 Ų248.6 Ų48.61%0.0124%0.238CC..BIsolated β-bridgetrans-115.6108.5169.9-64.2165.5000107.1F128 D132 D143 L144 L180 F185F128-I139 HydrophobicContact CD2-CD1 3.54Å; F128-I139 HydrophobicContact CD2-CG1 4.14Å; F128-I139 HydrophobicContact CE2-CD1 3.57Å; F128-I139 HydrophobicContact CE2-CG1 3.75Å; F128-I139 HydrophobicContact CG-CD1 4.38Å; F128-I139 HydrophobicContact CZ-CD1 4.41Å; F128-I139 HydrophobicContact CZ-CG1 4.14Å; D132-I139 HydrophobicContact CB-CG1 4.38Å; I139-D143 HydrophobicContact CG2-CB 3.94Å; I139-L144 HydrophobicContact CG2-CD2 3.76Å; I139-L144 HydrophobicContact CG2-CG 3.85Å; I139-L180 HydrophobicContact CB-CB 4.2Å; I139-L180 PolarHBondContact N-O 3.08Å; I139-L180 PolarHBondContact O-N 3.4Å; I139-F185 HydrophobicContact CD1-CD2 3.51Å; I139-F185 HydrophobicContact CD1-CE2 3.87Å; I139-F185 HydrophobicContact CD1-CG 4.16Å
140G92.8Very high91.4Very high3 Ų345 Ų453%0.03123%0.231CC..  trans-94.7-173.9179.600000113.6D143 L144G140-D143 PolarHBondContact N-OD2 3.17Å; G140-D143 PolarHBondContact O-N 3.08Å; G140-L144 WeakPolarHBondContact O-CG 3.07Å; G140-L144 PolarHBondContact O-N 2.87Å; G140-L144 VanDerWaalsContact O-N 3.13Å
141H93.4Very high91Very high67 Ų6749.5 Ų49.531%0.3125%0.253SS..Hα-helixtrans-57.3-51175.4179.2-71.4000112.1D143 L144 E145 E162H141-D143 PolarHBondContact O-N 3.46Å; H141-L144 PolarHBondContact O-N 2.94Å; H141-L144 VanDerWaalsContact O-N 3.15Å; H141-E145 IonicContact CE1-OE2 2.64Å; H141-E145 PolarHBondContact O-N 3.43Å; H141-E162 IonicContact CD2-OE2 3.72Å; H141-E162 IonicContact CE1-OE2 3Å; H141-E162 IonicContact NE2-OE1 2.79Å; H141-E162 IonicContact NE2-OE2 3.5Å; H141-E162 PolarHBondContact NE2-OE2 3.19Å
142D93.9Very high90.7Very high96 Ų9649.1 Ų49.151%0.51326%0.256SS..Hα-helixtrans-58.5-34-179.5-758000112.7K146D142-K146 WeakPolarHBondContact O-CD 3.31Å; D142-K146 WeakPolarHBondContact O-CG 3.26Å; D142-K146 PolarHBondContact O-N 2.95Å; D142-K146 VanDerWaalsContact O-N 3.1Å
143D93Very high90.2Very high2 Ų257.9 Ų57.91%0.01129%0.288CS..Hα-helixtrans-71.6-45.4178.4-63.7-49.8000111.7Y131 F133 D134 I139 G140 H141 E145 K146 A147Y131-D143 WeakPolarHBondContact O-CB 3.26Å; F133-D143 WeakPolarHBondContact CA-OD1 3.46Å; F133-D143 VanDerWaalsContact CB-OD1 3.28Å; F133-D143 WeakPolarHBondContact CB-OD1 3.37Å; F133-D143 HydrophobicContact CD2-CB 4.31Å; F133-D143 PolarHBondContact N-OD1 3.35Å; D134-D143 PolarHBondContact N-OD1 2.97Å; I139-D143 HydrophobicContact CG2-CB 3.94Å; G140-D143 PolarHBondContact N-OD2 3.17Å; G140-D143 PolarHBondContact O-N 3.08Å; H141-D143 PolarHBondContact O-N 3.46Å; D143-E145 VanDerWaalsContact C-N 3.34Å; D143-K146 PolarHBondContact O-N 2.84Å; D143-A147 WeakPolarHBondContact O-CB 3.47Å; D143-A147 PolarHBondContact O-N 3.37Å
144L91.1Very high89.9Confident16 Ų1661.3 Ų61.38%0.08431%0.305CS..Hα-helixtrans-63.3-42.4175.5-67.8174000110.9I139 G140 H141 A147 I148 I165 I168 M169I139-L144 HydrophobicContact CG2-CD2 3.76Å; I139-L144 HydrophobicContact CG2-CG 3.85Å; G140-L144 WeakPolarHBondContact O-CG 3.07Å; G140-L144 PolarHBondContact O-N 2.87Å; G140-L144 VanDerWaalsContact O-N 3.13Å; H141-L144 PolarHBondContact O-N 2.94Å; H141-L144 VanDerWaalsContact O-N 3.15Å; L144-A147 PolarHBondContact O-N 3.26Å; L144-I148 WeakPolarHBondContact O-CB 3.45Å; L144-I148 WeakPolarHBondContact O-CD1 3.3Å; L144-I148 WeakPolarHBondContact O-CG1 3.33Å; L144-I148 PolarHBondContact O-N 2.87Å; L144-I165 HydrophobicContact CB-CD1 4.39Å; L144-I165 HydrophobicContact CB-CG1 3.96Å; L144-I165 HydrophobicContact CB-CG2 4.42Å; L144-I165 HydrophobicContact CD1-CG2 4.01Å; L144-I168 HydrophobicContact CD1-CG2 4.04Å; L144-I168 HydrophobicContact CD2-CD1 4.38Å; L144-I168 HydrophobicContact CD2-CG2 4.18Å; L144-M169 HydrophobicContact CD1-CG 4.33Å; L144-M169 HydrophobicContact CD1-SD 3.76Å
145E92.1Very high89.7Confident56 Ų5664.8 Ų64.826%0.26232%0.318SS..Hα-helixtrans-57-52.9175175.4167.6-17100110.9H141 D143 A147 I148 R149 V161 I165H141-E145 IonicContact CE1-OE2 2.64Å; H141-E145 PolarHBondContact O-N 3.43Å; D143-E145 VanDerWaalsContact C-N 3.34Å; E145-A147 VanDerWaalsContact C-N 3.31Å; E145-A147 PolarHBondContact O-N 3.03Å; E145-I148 PolarHBondContact O-N 3.24Å; E145-R149 HydrophobicContact CG-CG 4.42Å; E145-R149 WeakPolarHBondContact O-CB 3.36Å; E145-R149 VanDerWaalsContact O-CG 3.27Å; E145-R149 WeakPolarHBondContact O-CG 3.26Å; E145-R149 PolarHBondContact O-N 3.43Å; E145-R149 IonicContact OE1-CZ 3.76Å; E145-R149 IonicContact OE1-NE 2.78Å; E145-R149 PolarHBondContact OE1-NE 3.38Å; E145-R149 IonicContact OE1-NH2 3.65Å; E145-R149 PolarHBondContact OE1-NH2 3.21Å; E145-V161 HydrophobicContact CB-CG1 4.38Å; E145-V161 HydrophobicContact CG-CG1 4.06Å; E145-I165 HydrophobicContact CB-CD1 3.83Å
146K91.4Very high89.6Confident83 Ų8360.5 Ų60.536%0.36130%0.3SS..Hα-helixtrans-58.3-44.4177.5-72.1165.4-164.8153.90111.5F133 D142 D143 R149 C150F133-K146 HydrophobicContact CB-CD 3.81Å; F133-K146 HydrophobicContact CD1-CB 4.39Å; F133-K146 HydrophobicContact CD1-CD 3.99Å; F133-K146 HydrophobicContact CD2-CB 3.89Å; F133-K146 HydrophobicContact CD2-CD 4.05Å; F133-K146 HydrophobicContact CE1-CB 4.23Å; F133-K146 HydrophobicContact CE2-CB 3.74Å; F133-K146 HydrophobicContact CG-CB 4.24Å; F133-K146 HydrophobicContact CG-CD 3.7Å; F133-K146 HydrophobicContact CZ-CB 3.92Å; D142-K146 WeakPolarHBondContact O-CD 3.31Å; D142-K146 WeakPolarHBondContact O-CG 3.26Å; D142-K146 PolarHBondContact O-N 2.95Å; D142-K146 VanDerWaalsContact O-N 3.1Å; D143-K146 PolarHBondContact O-N 2.84Å; K146-R149 PolarHBondContact O-N 2.93Å; K146-C150 WeakPolarHBondContact O-CB 3.35Å; K146-C150 PolarHBondContact O-N 3.42Å; K146-C150 PolarHBondContact O-SG 3.46Å
147A88.9Confident89.6Confident3 Ų360.3 Ų60.33%0.02530%0.301CS..Hα-helixtrans-62.3-4618000000112.1F86 Y131 F133 D143 L144 E145 C150 M151F86-A147 HydrophobicContact CE1-CB 4.17Å; F86-A147 HydrophobicContact CZ-CB 4.44Å; Y131-A147 HydrophobicContact CD1-CB 3.76Å; Y131-A147 HydrophobicContact CE1-CB 3.93Å; F133-A147 HydrophobicContact CE2-CB 4.22Å; D143-A147 WeakPolarHBondContact O-CB 3.47Å; D143-A147 PolarHBondContact O-N 3.37Å; L144-A147 PolarHBondContact O-N 3.26Å; E145-A147 VanDerWaalsContact C-N 3.31Å; E145-A147 PolarHBondContact O-N 3.03Å; A147-C150 PolarHBondContact O-N 3.17Å; A147-M151 WeakPolarHBondContact O-CE 3.39Å; A147-M151 WeakPolarHBondContact O-CG 3.27Å; A147-M151 PolarHBondContact O-N 3.41Å; A147-M151 VanDerWaalsContact O-N 3.12Å
148I88.3Confident89.6Confident7 Ų766 Ų664%0.03632%0.318CS..Hα-helixtrans-61.4-48.5177.9-69.3161.7000109.6L144 E145 C150 M151 T152 L156 V161 I164 I165 I168L144-I148 WeakPolarHBondContact O-CB 3.45Å; L144-I148 WeakPolarHBondContact O-CD1 3.3Å; L144-I148 WeakPolarHBondContact O-CG1 3.33Å; L144-I148 PolarHBondContact O-N 2.87Å; E145-I148 PolarHBondContact O-N 3.24Å; I148-C150 VanDerWaalsContact C-N 3.32Å; I148-C150 PolarHBondContact O-N 3.26Å; I148-M151 PolarHBondContact O-N 2.85Å; I148-T152 HydrophobicContact CG2-CG2 4.26Å; I148-T152 WeakPolarHBondContact O-CG2 3.38Å; I148-T152 PolarHBondContact O-N 2.75Å; I148-T152 PolarHBondContact O-OG1 3.11Å; I148-L156 HydrophobicContact CG2-CD1 3.98Å; I148-V161 HydrophobicContact CD1-CG1 4.4Å; I148-V161 HydrophobicContact CG2-CG1 4.41Å; I148-V161 HydrophobicContact CG2-CG2 4.13Å; I148-I164 HydrophobicContact CD1-CB 4.07Å; I148-I164 HydrophobicContact CD1-CG2 3.6Å; I148-I164 HydrophobicContact CG1-CG2 4.21Å; I148-I164 HydrophobicContact CG2-CD1 4.47Å; I148-I165 HydrophobicContact CD1-CD1 4.37Å; I148-I165 HydrophobicContact CD1-CG1 3.57Å; I148-I168 HydrophobicContact CD1-CD1 4.43Å
149R88.9Confident89.6Confident44 Ų4470.1 Ų70.117%0.16634%0.336CS..Hα-helixtrans-59.5-39.6178.2-75.1-178.6-176.5-64.9-4.7113E145 K146 M151 R153 E154E145-R149 HydrophobicContact CG-CG 4.42Å; E145-R149 WeakPolarHBondContact O-CB 3.36Å; E145-R149 VanDerWaalsContact O-CG 3.27Å; E145-R149 WeakPolarHBondContact O-CG 3.26Å; E145-R149 PolarHBondContact O-N 3.43Å; E145-R149 IonicContact OE1-CZ 3.76Å; E145-R149 IonicContact OE1-NE 2.78Å; E145-R149 PolarHBondContact OE1-NE 3.38Å; E145-R149 IonicContact OE1-NH2 3.65Å; E145-R149 PolarHBondContact OE1-NH2 3.21Å; K146-R149 PolarHBondContact O-N 2.93Å; R149-M151 VanDerWaalsContact C-N 3.34Å; R149-M151 PolarHBondContact O-N 2.85Å; R149-R153 WeakPolarHBondContact O-CA 3.33Å; R149-R153 PolarHBondContact O-N 2.71Å; R149-E154 WeakPolarHBondContact CB-OE1 3.44Å; R149-E154 WeakPolarHBondContact CD-OE2 2.84Å; R149-E154 VanDerWaalsContact CG-OE2 3.25Å; R149-E154 WeakPolarHBondContact CG-OE2 3.45Å; R149-E154 IonicContact CZ-OE2 2.79Å; R149-E154 IonicContact NE-OE2 3.6Å; R149-E154 IonicContact NH1-OE2 3.87Å; R149-E154 PolarHBondContact NH1-OE2 3.12Å; R149-E154 PolarHBondContact O-N 2.94Å
150C85.3Confident89.6Confident49 Ų4974.4 Ų74.433%0.33136%0.356SS..Hα-helixtrans-60.9-40.9172.8-74.60000112.3P85 F86 K146 A147 I148P85-C150 HydrophobicContact CB-CB 4.44Å; P85-C150 WeakPolarHBondContact CB-O 3.04Å; F86-C150 HydrophobicContact CE1-CB 4.18Å; K146-C150 WeakPolarHBondContact O-CB 3.35Å; K146-C150 PolarHBondContact O-N 3.42Å; K146-C150 PolarHBondContact O-SG 3.46Å; A147-C150 PolarHBondContact O-N 3.17Å; I148-C150 VanDerWaalsContact C-N 3.32Å; I148-C150 PolarHBondContact O-N 3.26Å
151M83.3Confident89.5Confident97 Ų9774.4 Ų74.448%0.47836%0.356SS..Hα-helixtrans-76.2-37-178.4-68.8-175.6-6900113F86 A147 I148 R149F86-M151 HydrophobicContact CE2-CG 3.68Å; F86-M151 HydrophobicContact CE2-SD 4.03Å; F86-M151 HydrophobicContact CZ-CE 4.48Å; F86-M151 HydrophobicContact CZ-CG 3.57Å; F86-M151 HydrophobicContact CZ-SD 3.91Å; A147-M151 WeakPolarHBondContact O-CE 3.39Å; A147-M151 WeakPolarHBondContact O-CG 3.27Å; A147-M151 PolarHBondContact O-N 3.41Å; A147-M151 VanDerWaalsContact O-N 3.12Å; I148-M151 PolarHBondContact O-N 2.85Å; R149-M151 VanDerWaalsContact C-N 3.34Å; R149-M151 PolarHBondContact O-N 2.85Å
152T83.8Confident89.5Confident38 Ų3875.7 Ų75.723%0.23336%0.362CS..Hα-helixtrans-95.10.6-175.664.60000113.6I148 E154 E155 L156I148-T152 HydrophobicContact CG2-CG2 4.26Å; I148-T152 WeakPolarHBondContact O-CG2 3.38Å; I148-T152 PolarHBondContact O-N 2.75Å; I148-T152 PolarHBondContact O-OG1 3.11Å; T152-E154 PolarHBondContact O-N 3.4Å; T152-E155 VanDerWaalsContact O-CB 3.31Å; T152-E155 WeakPolarHBondContact O-CB 3.48Å; T152-E155 VanDerWaalsContact O-CG 3.31Å; T152-E155 WeakPolarHBondContact O-CG 3.5Å; T152-E155 PolarHBondContact O-N 3.28Å; T152-E155 VanDerWaalsContact O-N 3.14Å; T152-L156 HydrophobicContact CG2-CD1 3.68Å; T152-L156 HydrophobicContact CG2-CG 3.91Å
153R82.3Confident89.4Confident194 Ų19477 Ų7773%0.73236%0.363SS*.THydrogen-bonded Turntrans55.438.7-179.7-54.9177.9176-178.5-2.5112.6R149 E155R149-R153 WeakPolarHBondContact O-CA 3.33Å; R149-R153 PolarHBondContact O-N 2.71Å; R153-E155 PolarHBondContact O-N 2.79Å
154E84Confident89.2Confident115 Ų11579.8 Ų79.854%0.53738%0.377SS..THydrogen-bonded Turntrans61.520.9-179.3-52.7-71.3175.600114.2R149 T152R149-E154 WeakPolarHBondContact CB-OE1 3.44Å; R149-E154 WeakPolarHBondContact CD-OE2 2.84Å; R149-E154 VanDerWaalsContact CG-OE2 3.25Å; R149-E154 WeakPolarHBondContact CG-OE2 3.45Å; R149-E154 IonicContact CZ-OE2 2.79Å; R149-E154 IonicContact NE-OE2 3.6Å; R149-E154 IonicContact NH1-OE2 3.87Å; R149-E154 PolarHBondContact NH1-OE2 3.12Å; R149-E154 PolarHBondContact O-N 2.94Å; T152-E154 PolarHBondContact O-N 3.4Å
155E87.6Confident89.2Confident159 Ų15979.1 Ų79.174%0.74337%0.374SS*.  trans-80.3-17.9-179.8-67.2-177.2169.100113.3T152 R153T152-E155 VanDerWaalsContact O-CB 3.31Å; T152-E155 WeakPolarHBondContact O-CB 3.48Å; T152-E155 VanDerWaalsContact O-CG 3.31Å; T152-E155 WeakPolarHBondContact O-CG 3.5Å; T152-E155 PolarHBondContact O-N 3.28Å; T152-E155 VanDerWaalsContact O-N 3.14Å; R153-E155 PolarHBondContact O-N 2.79Å
156L88.2Confident89.1Confident44 Ų4478.9 Ų78.923%0.2338%0.378CS..SBendtrans-84.6144178.9-63.6-173000112I148 T152 E160 V161 I164I148-L156 HydrophobicContact CG2-CD1 3.98Å; T152-L156 HydrophobicContact CG2-CD1 3.68Å; T152-L156 HydrophobicContact CG2-CG 3.91Å; L156-E160 HydrophobicContact CB-CB 4.2Å; L156-E160 HydrophobicContact CD2-CB 4.42Å; L156-V161 HydrophobicContact CB-CG2 3.78Å; L156-V161 HydrophobicContact CD1-CG2 4.37Å; L156-I164 HydrophobicContact CD1-CD1 3.5Å; L156-I164 VanDerWaalsContact CD1-CD1 3.5Å
157T93.1Very high89Confident76 Ų7681.1 Ų81.147%0.46639%0.385SS..  trans-70.9159.5170.661.70000111.5E159 E160 V161T157-E159 PolarHBondContact O-N 3.26Å; T157-E160 PolarHBondContact N-OE2 3.37Å; T157-E160 PolarHBondContact O-N 3.27Å; T157-E160 VanDerWaalsContact O-N 3.14Å; T157-E160 VanDerWaalsContact OG1-CG 3.27Å; T157-E160 WeakPolarHBondContact OG1-CG 3.43Å; T157-E160 PolarHBondContact OG1-N 2.7Å; T157-E160 PolarHBondContact OG1-OE2 2.86Å; T157-V161 WeakPolarHBondContact O-CG2 3.49Å; T157-V161 PolarHBondContact O-N 2.79Å
158E93.8Very high89Confident156 Ų15683.7 Ų83.773%0.72940%0.397SS*.Hα-helixtrans-55.7-39.5175.6-68.2176.1-173.300112E160 V161 E162E158-E160 PolarHBondContact O-N 3.23Å; E158-V161 PolarHBondContact O-N 3.28Å; E158-E162 WeakPolarHBondContact O-CB 3.49Å; E158-E162 PolarHBondContact O-N 3.31Å
159E94.1Very high89Confident166 Ų16684.5 Ų84.578%0.77640%0.401SS*.Hα-helixtrans-65.2-38.6177.8-64.2-179.8-17800112.6T157 F163T157-E159 PolarHBondContact O-N 3.26Å; E159-F163 WeakPolarHBondContact O-CB 3.29Å; E159-F163 PolarHBondContact O-N 3.24Å
160E91.8Very high89Confident92 Ų9287.8 Ų87.843%0.4342%0.422SS..Hα-helixtrans-70.3-40.7176.7-73.2166.6137.600111.8L156 T157 E158 F163 I164L156-E160 HydrophobicContact CB-CB 4.2Å; L156-E160 HydrophobicContact CD2-CB 4.42Å; T157-E160 PolarHBondContact N-OE2 3.37Å; T157-E160 PolarHBondContact O-N 3.27Å; T157-E160 VanDerWaalsContact O-N 3.14Å; T157-E160 VanDerWaalsContact OG1-CG 3.27Å; T157-E160 WeakPolarHBondContact OG1-CG 3.43Å; T157-E160 PolarHBondContact OG1-N 2.7Å; T157-E160 PolarHBondContact OG1-OE2 2.86Å; E158-E160 PolarHBondContact O-N 3.23Å; E160-F163 PolarHBondContact O-N 3.21Å; E160-I164 VanDerWaalsContact O-CG1 3.27Å; E160-I164 WeakPolarHBondContact O-CG1 3.43Å; E160-I164 PolarHBondContact O-N 3.26Å
161V91.1Very high89.1Confident3 Ų392.6 Ų92.62%0.01844%0.44CS..Hα-helixtrans-61.9-49.3175.2173.70000110E145 I148 L156 T157 E158 F163 I164 I165E145-V161 HydrophobicContact CB-CG1 4.38Å; E145-V161 HydrophobicContact CG-CG1 4.06Å; I148-V161 HydrophobicContact CD1-CG1 4.4Å; I148-V161 HydrophobicContact CG2-CG1 4.41Å; I148-V161 HydrophobicContact CG2-CG2 4.13Å; L156-V161 HydrophobicContact CB-CG2 3.78Å; L156-V161 HydrophobicContact CD1-CG2 4.37Å; T157-V161 WeakPolarHBondContact O-CG2 3.49Å; T157-V161 PolarHBondContact O-N 2.79Å; E158-V161 PolarHBondContact O-N 3.28Å; V161-F163 VanDerWaalsContact C-N 3.3Å; V161-F163 PolarHBondContact O-N 3.31Å; V161-I164 PolarHBondContact O-N 2.88Å; V161-I164 VanDerWaalsContact O-N 3.12Å; V161-I165 HydrophobicContact CG1-CD1 3.8Å; V161-I165 HydrophobicContact CG1-CG1 4.39Å; V161-I165 WeakPolarHBondContact O-CG1 3.16Å; V161-I165 PolarHBondContact O-N 3.36Å
162E94.1Very high89.3Confident93 Ų9388 Ų8844%0.43542%0.418SS..Hα-helixtrans-59.2-42.1178.2-172.959.2-145.100111.9H141 E158 I164 I165 S166H141-E162 IonicContact CD2-OE2 3.72Å; H141-E162 IonicContact CE1-OE2 3Å; H141-E162 IonicContact NE2-OE1 2.79Å; H141-E162 IonicContact NE2-OE2 3.5Å; H141-E162 PolarHBondContact NE2-OE2 3.19Å; E158-E162 WeakPolarHBondContact O-CB 3.49Å; E158-E162 PolarHBondContact O-N 3.31Å; E162-I164 VanDerWaalsContact C-N 3.33Å; E162-I164 PolarHBondContact O-N 2.83Å; E162-I165 PolarHBondContact O-N 3.01Å; E162-S166 WeakPolarHBondContact O-CB 3.32Å; E162-S166 PolarHBondContact O-N 3.33Å
163F91.6Very high89.6Confident123 Ų12387.1 Ų87.154%0.53941%0.411SS..Hα-helixtrans-61.6-41176.3-179.9-98000112.3E159 E160 V161 R167E159-F163 WeakPolarHBondContact O-CB 3.29Å; E159-F163 PolarHBondContact O-N 3.24Å; E160-F163 PolarHBondContact O-N 3.21Å; V161-F163 VanDerWaalsContact C-N 3.3Å; V161-F163 PolarHBondContact O-N 3.31Å; F163-R167 HydrophobicContact CE1-CG 4.14Å; F163-R167 HydrophobicContact CZ-CG 4.2Å; F163-R167 VanDerWaalsContact O-CG 3.29Å; F163-R167 WeakPolarHBondContact O-CG 3.45Å; F163-R167 PolarHBondContact O-N 2.88Å; F163-R167 VanDerWaalsContact O-N 3.14Å
164I88.8Confident89.8Confident61 Ų6183.4 Ų83.431%0.31341%0.405SS..Hα-helixtrans-66.9-44.7177-66.7164.8000110.5I148 L156 E160 V161 E162 R167 I168I148-I164 HydrophobicContact CD1-CB 4.07Å; I148-I164 HydrophobicContact CD1-CG2 3.6Å; I148-I164 HydrophobicContact CG1-CG2 4.21Å; I148-I164 HydrophobicContact CG2-CD1 4.47Å; L156-I164 HydrophobicContact CD1-CD1 3.5Å; L156-I164 VanDerWaalsContact CD1-CD1 3.5Å; E160-I164 VanDerWaalsContact O-CG1 3.27Å; E160-I164 WeakPolarHBondContact O-CG1 3.43Å; E160-I164 PolarHBondContact O-N 3.26Å; V161-I164 PolarHBondContact O-N 2.88Å; V161-I164 VanDerWaalsContact O-N 3.12Å; E162-I164 VanDerWaalsContact C-N 3.33Å; E162-I164 PolarHBondContact O-N 2.83Å; I164-R167 PolarHBondContact O-N 3.28Å; I164-I168 HydrophobicContact CG2-CD1 3.84Å; I164-I168 HydrophobicContact CG2-CG1 4.43Å; I164-I168 WeakPolarHBondContact O-CG1 3.48Å; I164-I168 PolarHBondContact O-N 2.86Å
165I90.1Very high90.2Very high2 Ų282.7 Ų82.71%0.0141%0.405CS..Hα-helixtrans-59.5-50.1178.4-66.2170.4000110.2L144 E145 I148 V161 E162 R167 I168 M169L144-I165 HydrophobicContact CB-CD1 4.39Å; L144-I165 HydrophobicContact CB-CG1 3.96Å; L144-I165 HydrophobicContact CB-CG2 4.42Å; L144-I165 HydrophobicContact CD1-CG2 4.01Å; E145-I165 HydrophobicContact CB-CD1 3.83Å; I148-I165 HydrophobicContact CD1-CD1 4.37Å; I148-I165 HydrophobicContact CD1-CG1 3.57Å; V161-I165 HydrophobicContact CG1-CD1 3.8Å; V161-I165 HydrophobicContact CG1-CG1 4.39Å; V161-I165 WeakPolarHBondContact O-CG1 3.16Å; V161-I165 PolarHBondContact O-N 3.36Å; E162-I165 PolarHBondContact O-N 3.01Å; I165-R167 PolarHBondContact O-N 3.47Å; I165-I168 PolarHBondContact O-N 3.37Å; I165-I168 VanDerWaalsContact O-N 3.07Å; I165-M169 HydrophobicContact CG2-CG 4.24Å; I165-M169 WeakPolarHBondContact O-CG 3.17Å; I165-M169 PolarHBondContact O-N 3.5Å
166S91.3Very high90.1Very high51 Ų5182.6 Ų82.636%0.35741%0.407SS..Hα-helixtrans-55.2-40.2177.1169.70000112E162 M169 D170E162-S166 WeakPolarHBondContact O-CB 3.32Å; E162-S166 PolarHBondContact O-N 3.33Å; S166-M169 PolarHBondContact O-N 3.25Å; S166-D170 WeakPolarHBondContact O-CB 3.43Å; S166-D170 PolarHBondContact O-N 2.81Å
167R89Confident90.3Very high131 Ų13182.8 Ų82.849%0.49441%0.412SS..Hα-helixtrans-67.6-39.8176.8-72.6-67.7178.1-163.6-3.5113.4F163 I164 I165 M169 E171F163-R167 HydrophobicContact CE1-CG 4.14Å; F163-R167 HydrophobicContact CZ-CG 4.2Å; F163-R167 VanDerWaalsContact O-CG 3.29Å; F163-R167 WeakPolarHBondContact O-CG 3.45Å; F163-R167 PolarHBondContact O-N 2.88Å; F163-R167 VanDerWaalsContact O-N 3.14Å; I164-R167 PolarHBondContact O-N 3.28Å; I165-R167 PolarHBondContact O-N 3.47Å; R167-M169 VanDerWaalsContact C-N 3.35Å; R167-E171 WeakPolarHBondContact O-CG 3.49Å; R167-E171 PolarHBondContact O-N 2.94Å
168I87.6Confident90.1Very high56 Ų5684.7 Ų84.729%0.28742%0.419SS..Hα-helixtrans-62.4-47.4175.8-68.2167.2000109.3L144 I148 I164 I165 E171 A172 L180L144-I168 HydrophobicContact CD1-CG2 4.04Å; L144-I168 HydrophobicContact CD2-CD1 4.38Å; L144-I168 HydrophobicContact CD2-CG2 4.18Å; I148-I168 HydrophobicContact CD1-CD1 4.43Å; I164-I168 HydrophobicContact CG2-CD1 3.84Å; I164-I168 HydrophobicContact CG2-CG1 4.43Å; I164-I168 WeakPolarHBondContact O-CG1 3.48Å; I164-I168 PolarHBondContact O-N 2.86Å; I165-I168 PolarHBondContact O-N 3.37Å; I165-I168 VanDerWaalsContact O-N 3.07Å; I168-E171 PolarHBondContact O-N 2.68Å; I168-A172 WeakPolarHBondContact O-CB 3.18Å; I168-A172 PolarHBondContact O-N 2.9Å; I168-L180 HydrophobicContact CG2-CD1 4.18Å
169M89.5Confident90.1Very high24 Ų2481.5 Ų81.512%0.11840%0.403CS..Hα-helixtrans-63.3-45.8-179.7-63.8-55.3-72.200112L144 I165 S166 R167 E171 A172 D173 N178 L180L144-M169 HydrophobicContact CD1-CG 4.33Å; L144-M169 HydrophobicContact CD1-SD 3.76Å; I165-M169 HydrophobicContact CG2-CG 4.24Å; I165-M169 WeakPolarHBondContact O-CG 3.17Å; I165-M169 PolarHBondContact O-N 3.5Å; S166-M169 PolarHBondContact O-N 3.25Å; R167-M169 VanDerWaalsContact C-N 3.35Å; M169-E171 PolarHBondContact O-N 3.32Å; M169-E171 VanDerWaalsContact O-N 3.11Å; M169-A172 PolarHBondContact O-N 2.93Å; M169-D173 HydrophobicContact CE-CB 3.79Å; M169-D173 VanDerWaalsContact O-CB 3.27Å; M169-D173 WeakPolarHBondContact O-CB 3.42Å; M169-D173 PolarHBondContact O-N 3.07Å; M169-N178 VanDerWaalsContact CE-CA 3.45Å; M169-N178 HydrophobicContact CE-CB 4.48Å; M169-N178 VanDerWaalsContact CE-O 3.3Å; M169-N178 WeakPolarHBondContact CE-O 3.5Å; M169-L180 HydrophobicContact CE-CD2 4.26Å; M169-L180 HydrophobicContact SD-CD1 4.49Å; M169-L180 HydrophobicContact SD-CD2 3.99Å; M169-L180 HydrophobicContact SD-CG 4.03Å
170D89.4Confident89.9Confident114 Ų11473.9 Ų73.961%0.6137%0.368SS*.Hα-helixtrans-56.4-30.4177.2-76-11.1000113.3S166S166-D170 WeakPolarHBondContact O-CB 3.43Å; S166-D170 PolarHBondContact O-N 2.81Å
171E86.7Confident90Very high149 Ų14970.9 Ų70.970%0.69636%0.357SS*.Hα-helixtrans-91.7-30.8-179.4-70.6-174.7-178.300113.6R167 I168 M169R167-E171 WeakPolarHBondContact O-CG 3.49Å; R167-E171 PolarHBondContact O-N 2.94Å; I168-E171 PolarHBondContact O-N 2.68Å; M169-E171 PolarHBondContact O-N 3.32Å; M169-E171 VanDerWaalsContact O-N 3.11Å
172A87Confident90.1Very high2 Ų274 Ų742%0.01737%0.369CS..Hα-helixtrans-106.4-37.4-167.100000114.1I168 M169 L174 L180 E184 V188I168-A172 WeakPolarHBondContact O-CB 3.18Å; I168-A172 PolarHBondContact O-N 2.9Å; M169-A172 PolarHBondContact O-N 2.93Å; A172-L174 PolarHBondContact O-N 3.29Å; A172-L180 HydrophobicContact CB-CD1 3.8Å; A172-L180 HydrophobicContact CB-CD2 3.43Å; A172-L180 VanDerWaalsContact CB-CD2 3.43Å; A172-L180 HydrophobicContact CB-CG 4.27Å; A172-E184 WeakPolarHBondContact O-CB 3.49Å; A172-V188 HydrophobicContact CB-CB 4.5Å; A172-V188 HydrophobicContact CB-CG2 3.49Å; A172-V188 VanDerWaalsContact CB-CG2 3.49Å
173D89.8Confident90Very high19 Ų1972.6 Ų72.610%0.10237%0.372CS..  trans-8293.8-177.4-179.24000109.5M169 D175 M176 S177 N178 L180M169-D173 HydrophobicContact CE-CB 3.79Å; M169-D173 VanDerWaalsContact O-CB 3.27Å; M169-D173 WeakPolarHBondContact O-CB 3.42Å; M169-D173 PolarHBondContact O-N 3.07Å; D173-D175 VanDerWaalsContact OD1-OD1 3.11Å; D173-M176 WeakPolarHBondContact OD1-CA 3.43Å; D173-M176 PolarHBondContact OD1-N 3.22Å; D173-M176 WeakPolarHBondContact OD2-CA 3.23Å; D173-S177 PolarHBondContact OD1-N 3.03Å; D173-S177 PolarHBondContact OD2-N 3.35Å; D173-N178 VanDerWaalsContact OD2-CA 3.26Å; D173-N178 WeakPolarHBondContact OD2-CA 3.4Å; D173-N178 PolarHBondContact OD2-N 3.26Å; D173-L180 HydrophobicContact CB-CD2 3.84Å
174L88Confident89.9Confident115 Ų11567.4 Ų67.460%0.60235%0.35SS*.SBendtrans-84.5-24.6-173.9-63-179.9000111.8A172 E184A172-L174 PolarHBondContact O-N 3.29Å; L174-E184 PolarHBondContact N-OE1 3.48Å
175D90.9Very high90Very high101 Ų10165.2 Ų65.254%0.5434%0.338SS..SBendtrans-96.6-3.9179.476.16.2000114.2D173 S177 E184D173-D175 VanDerWaalsContact OD1-OD1 3.11Å; D175-S177 VanDerWaalsContact C-N 3.29Å; D175-S177 WeakPolarHBondContact OD1-CB 3.42Å; D175-S177 PolarHBondContact OD1-N 3.21Å; D175-S177 PolarHBondContact OD1-OG 2.93Å; D175-E184 PolarHBondContact N-OE1 3.21Å
176M86.9Confident89.9Confident157 Ų15768.3 Ų68.377%0.77335%0.353SS*.  trans60.934-178.9-55.9177.4-68.500112.8D173 N178D173-M176 WeakPolarHBondContact OD1-CA 3.43Å; D173-M176 PolarHBondContact OD1-N 3.22Å; D173-M176 WeakPolarHBondContact OD2-CA 3.23Å; M176-N178 VanDerWaalsContact C-N 3.26Å; M176-N178 PolarHBondContact O-N 3.19Å
177S91Very high89.7Confident48 Ų4869.3 Ų69.334%0.33635%0.352SS..  trans-75.1-15.1177.760.90000113.3D173 D175 F179D173-S177 PolarHBondContact OD1-N 3.03Å; D173-S177 PolarHBondContact OD2-N 3.35Å; D175-S177 VanDerWaalsContact C-N 3.29Å; D175-S177 WeakPolarHBondContact OD1-CB 3.42Å; D175-S177 PolarHBondContact OD1-N 3.21Å; D175-S177 PolarHBondContact OD1-OG 2.93Å; S177-F179 WeakPolarHBondContact O-CD2 3.46Å; S177-F179 PolarHBondContact OG-N 3.36Å; S177-F179 PolarHBondContact OG-O 2.9Å
178N89.4Confident89.5Confident115 Ų11565.4 Ų65.462%0.61534%0.342SS*.SBendtrans67.416.3-165.6-48.9-82.3000114.1M169 D173 M176M169-N178 VanDerWaalsContact CE-CA 3.45Å; M169-N178 HydrophobicContact CE-CB 4.48Å; M169-N178 VanDerWaalsContact CE-O 3.3Å; M169-N178 WeakPolarHBondContact CE-O 3.5Å; D173-N178 VanDerWaalsContact OD2-CA 3.26Å; D173-N178 WeakPolarHBondContact OD2-CA 3.4Å; D173-N178 PolarHBondContact OD2-N 3.26Å; M176-N178 VanDerWaalsContact C-N 3.26Å; M176-N178 PolarHBondContact O-N 3.19Å
179F93.4Very high89.2Confident89 Ų8963.5 Ų63.539%0.3933%0.333SS..SBendtrans-133.9146.5174.2-66.1-87.4000108.9M138 S177M138-F179 HydrophobicContact CB-CB 4.05Å; M138-F179 HydrophobicContact CB-CD1 4.14Å; M138-F179 HydrophobicContact CB-CG 4.43Å; M138-F179 HydrophobicContact CG-CB 4.46Å; S177-F179 WeakPolarHBondContact O-CD2 3.46Å; S177-F179 PolarHBondContact OG-N 3.36Å; S177-F179 PolarHBondContact OG-O 2.9Å
180L91.4Very high88.7Confident7 Ų765.9 Ų65.94%0.03735%0.352CS..BIsolated β-bridgetrans-94.7114.8171-53.7-179.3000109.5I139 I168 M169 A172 D173I139-L180 HydrophobicContact CB-CB 4.2Å; I139-L180 PolarHBondContact N-O 3.08Å; I139-L180 PolarHBondContact O-N 3.4Å; I168-L180 HydrophobicContact CG2-CD1 4.18Å; M169-L180 HydrophobicContact CE-CD2 4.26Å; M169-L180 HydrophobicContact SD-CD1 4.49Å; M169-L180 HydrophobicContact SD-CD2 3.99Å; M169-L180 HydrophobicContact SD-CG 4.03Å; A172-L180 HydrophobicContact CB-CD1 3.8Å; A172-L180 HydrophobicContact CB-CD2 3.43Å; A172-L180 VanDerWaalsContact CB-CD2 3.43Å; A172-L180 HydrophobicContact CB-CG 4.27Å; D173-L180 HydrophobicContact CB-CD2 3.84Å
181S93.4Very high88.1Confident29 Ų2968 Ų6820%0.20335%0.351CS..  trans-68.6161.5168.5680000111.4A183 E184 F185S181-A183 PolarHBondContact O-N 3.25Å; S181-A183 VanDerWaalsContact O-N 3.17Å; S181-E184 WeakPolarHBondContact CB-OE2 3.47Å; S181-E184 PolarHBondContact N-OE2 3Å; S181-E184 PolarHBondContact O-N 3.02Å; S181-E184 VanDerWaalsContact O-N 3.11Å; S181-E184 WeakPolarHBondContact OG-CG 3.34Å; S181-E184 PolarHBondContact OG-N 2.63Å; S181-E184 PolarHBondContact OG-OE2 3.3Å; S181-F185 WeakPolarHBondContact O-CB 3.3Å; S181-F185 PolarHBondContact O-N 3.12Å
182Y92.1Very high87.4Confident69 Ų6963.1 Ų63.127%0.27133%0.334SS..Hα-helixtrans-52.5-39.1174.1178.5-94.8000112.5N125 F128 E186N125-Y182 HydrophobicContact CB-CE2 4.43Å; F128-Y182 HydrophobicContact CB-CD2 4.02Å; F128-Y182 HydrophobicContact CB-CE2 4.27Å; F128-Y182 HydrophobicContact CD1-CD2 4.25Å; F128-Y182 HydrophobicContact CD2-CD2 4.07Å; F128-Y182 AromaticContact CG-CD2 3.84Å; F128-Y182 HydrophobicContact CG-CD2 3.84Å; Y182-E186 HydrophobicContact CE1-CB 4.43Å; Y182-E186 VanDerWaalsContact O-CB 3.22Å; Y182-E186 WeakPolarHBondContact O-CB 3Å; Y182-E186 PolarHBondContact O-N 3.42Å
183A92.1Very high86.3Confident62 Ų6267.6 Ų67.651%0.51236%0.363SS..Hα-helixtrans-68.1-38.4-179.300000112.4S181 H187S181-A183 PolarHBondContact O-N 3.25Å; S181-A183 VanDerWaalsContact O-N 3.17Å; A183-H187 VanDerWaalsContact O-CB 3.26Å; A183-H187 WeakPolarHBondContact O-CB 3.28Å; A183-H187 PolarHBondContact O-N 3.48Å
184E90.9Very high85.2Confident14 Ų1471 Ų717%0.06538%0.381CS..Hα-helixtrans-71-44.7176.2-74162.5138.600111.3A172 L174 D175 S181 E186 H187 V188A172-E184 WeakPolarHBondContact O-CB 3.49Å; L174-E184 PolarHBondContact N-OE1 3.48Å; D175-E184 PolarHBondContact N-OE1 3.21Å; S181-E184 WeakPolarHBondContact CB-OE2 3.47Å; S181-E184 PolarHBondContact N-OE2 3Å; S181-E184 PolarHBondContact O-N 3.02Å; S181-E184 VanDerWaalsContact O-N 3.11Å; S181-E184 WeakPolarHBondContact OG-CG 3.34Å; S181-E184 PolarHBondContact OG-N 2.63Å; S181-E184 PolarHBondContact OG-OE2 3.3Å; E184-E186 PolarHBondContact O-N 2.83Å; E184-H187 WeakPolarHBondContact O-CB 3.28Å; E184-H187 PolarHBondContact O-N 3.32Å; E184-H187 VanDerWaalsContact O-N 3.15Å; E184-V188 VanDerWaalsContact O-CG2 3.27Å; E184-V188 WeakPolarHBondContact O-CG2 3.43Å; E184-V188 PolarHBondContact O-N 2.62Å
185F89.9Confident83.9Confident16 Ų1666.8 Ų66.87%0.0736%0.358CS..Hα-helixtrans-55.6-50.6172.6177.8-95.2000111.1A127 F128 Y131 I139 S181 H187 V188 V189 F195A127-F185 HydrophobicContact CB-CE1 4.39Å; A127-F185 HydrophobicContact CB-CZ 4.22Å; F128-F185 HydrophobicContact CB-CD1 4.12Å; F128-F185 HydrophobicContact CB-CE1 4.05Å; F128-F185 HydrophobicContact CD2-CB 3.77Å; F128-F185 AromaticContact CD2-CD1 3.76Å; F128-F185 HydrophobicContact CD2-CD1 3.76Å; F128-F185 HydrophobicContact CD2-CD2 4.25Å; F128-F185 HydrophobicContact CD2-CE1 4.4Å; F128-F185 AromaticContact CD2-CG 3.67Å; F128-F185 HydrophobicContact CD2-CG 3.67Å; F128-F185 HydrophobicContact CE2-CB 4Å; F128-F185 HydrophobicContact CE2-CG 4.34Å; F128-F185 HydrophobicContact CG-CD1 4.45Å; Y131-F185 AromaticContact CD2-CE2 3.81Å; Y131-F185 HydrophobicContact CD2-CE2 3.81Å; Y131-F185 AromaticContact CD2-CZ 3.85Å; Y131-F185 HydrophobicContact CD2-CZ 3.85Å; Y131-F185 HydrophobicContact CE2-CE2 4.28Å; Y131-F185 HydrophobicContact CE2-CZ 4.2Å; Y131-F185 HydrophobicContact CG-CE2 4.47Å; I139-F185 HydrophobicContact CD1-CD2 3.51Å; I139-F185 HydrophobicContact CD1-CE2 3.87Å; I139-F185 HydrophobicContact CD1-CG 4.16Å; S181-F185 WeakPolarHBondContact O-CB 3.3Å; S181-F185 PolarHBondContact O-N 3.12Å; F185-H187 VanDerWaalsContact C-N 3.31Å; F185-H187 PolarHBondContact O-N 3.07Å; F185-V188 PolarHBondContact O-N 3.03Å; F185-V189 HydrophobicContact CD1-CG2 4.14Å; F185-V189 HydrophobicContact CD2-CG2 4.05Å; F185-V189 HydrophobicContact CE1-CG2 3.88Å; F185-V189 HydrophobicContact CE2-CG2 3.78Å; F185-V189 HydrophobicContact CG-CG2 4.23Å; F185-V189 HydrophobicContact CZ-CG2 3.7Å; F185-V189 WeakPolarHBondContact O-CB 3.48Å; F185-V189 WeakPolarHBondContact O-CG2 3.08Å; F185-V189 PolarHBondContact O-N 2.81Å; F185-F195 HydrophobicContact CZ-CE2 4.43Å
186E89.2Confident82.1Confident66 Ų6664.6 Ų64.631%0.30835%0.35SS..Hα-helixtrans-58.4-42.1176174170.8-125.500111.8L124 Y182 E184 V188 S190L124-E186 HydrophobicContact CD1-CG 4.08Å; Y182-E186 HydrophobicContact CE1-CB 4.43Å; Y182-E186 VanDerWaalsContact O-CB 3.22Å; Y182-E186 WeakPolarHBondContact O-CB 3Å; Y182-E186 PolarHBondContact O-N 3.42Å; E184-E186 PolarHBondContact O-N 2.83Å; E186-V188 PolarHBondContact O-N 3.34Å; E186-S190 WeakPolarHBondContact O-CB 3.5Å; E186-S190 PolarHBondContact O-N 3.47Å; E186-S190 PolarHBondContact O-OG 2.95Å
187H86.9Confident80.4Confident73 Ų7366 Ų6634%0.33835%0.347SS..Hα-helixtrans-62.5-40179.3-174.394.6000113.3A183 E184 F185 S190 R191A183-H187 VanDerWaalsContact O-CB 3.26Å; A183-H187 WeakPolarHBondContact O-CB 3.28Å; A183-H187 PolarHBondContact O-N 3.48Å; E184-H187 WeakPolarHBondContact O-CB 3.28Å; E184-H187 PolarHBondContact O-N 3.32Å; E184-H187 VanDerWaalsContact O-N 3.15Å; F185-H187 VanDerWaalsContact C-N 3.31Å; F185-H187 PolarHBondContact O-N 3.07Å; H187-S190 PolarHBondContact O-OG 2.8Å; H187-R191 PolarHBondContact CD2-NH1 3.08Å; H187-R191 PolarHBondContact CE1-NH1 2.99Å; H187-R191 PolarHBondContact CE1-NH2 3.09Å; H187-R191 PolarHBondContact ND1-NH1 2.69Å; H187-R191 PolarHBondContact NE2-NH1 3.37Å; H187-R191 PolarHBondContact NE2-NH2 3.38Å; H187-R191 PolarHBondContact O-NH1 3.33Å
188V84.3Confident78.6Confident49 Ų4969.3 Ų69.330%0.29737%0.365SS..Hα-helixtrans-77-47.4-179.2173.10000110.1A172 E184 F185 E186 S190 R191 S192A172-V188 HydrophobicContact CB-CB 4.5Å; A172-V188 HydrophobicContact CB-CG2 3.49Å; A172-V188 VanDerWaalsContact CB-CG2 3.49Å; E184-V188 VanDerWaalsContact O-CG2 3.27Å; E184-V188 WeakPolarHBondContact O-CG2 3.43Å; E184-V188 PolarHBondContact O-N 2.62Å; F185-V188 PolarHBondContact O-N 3.03Å; E186-V188 PolarHBondContact O-N 3.34Å; V188-S190 PolarHBondContact O-N 3.11Å; V188-R191 WeakPolarHBondContact O-CB 3.26Å; V188-R191 PolarHBondContact O-N 3.37Å; V188-R191 VanDerWaalsContact O-N 3.14Å; V188-S192 PolarHBondContact O-N 2.93Å
189V82.3Confident76.7Confident15 Ų1565.6 Ų65.69%0.09134%0.344CS..Hα-helixtrans-66.1-40.1-177.5170.50000111.8L124 F185 R191 S192 F195L124-V189 HydrophobicContact CD2-CB 4.12Å; L124-V189 HydrophobicContact CD2-CG1 3.37Å; F185-V189 HydrophobicContact CD1-CG2 4.14Å; F185-V189 HydrophobicContact CD2-CG2 4.05Å; F185-V189 HydrophobicContact CE1-CG2 3.88Å; F185-V189 HydrophobicContact CE2-CG2 3.78Å; F185-V189 HydrophobicContact CG-CG2 4.23Å; F185-V189 HydrophobicContact CZ-CG2 3.7Å; F185-V189 WeakPolarHBondContact O-CB 3.48Å; F185-V189 WeakPolarHBondContact O-CG2 3.08Å; F185-V189 PolarHBondContact O-N 2.81Å; V189-R191 PolarHBondContact O-N 3.04Å; V189-S192 PolarHBondContact O-N 2.8Å; V189-F195 HydrophobicContact CB-CG 4.42Å; V189-F195 HydrophobicContact CG1-CB 3.79Å; V189-F195 HydrophobicContact CG1-CD1 3.11Å; V189-F195 HydrophobicContact CG1-CD2 3.56Å; V189-F195 HydrophobicContact CG1-CE1 3.42Å; V189-F195 VanDerWaalsContact CG1-CE1 3.42Å; V189-F195 HydrophobicContact CG1-CE2 3.82Å; V189-F195 HydrophobicContact CG1-CG 3.19Å; V189-F195 HydrophobicContact CG1-CZ 3.75Å; V189-F195 HydrophobicContact CG2-CD2 4.19Å; V189-F195 HydrophobicContact CG2-CE2 4.27Å
190S78.1Confident74.7Confident75 Ų7566.2 Ų66.252%0.52435%0.348SS..THydrogen-bonded Turntrans-63.8-20.6176.359.80000113.7E186 H187 V188E186-S190 WeakPolarHBondContact O-CB 3.5Å; E186-S190 PolarHBondContact O-N 3.47Å; E186-S190 PolarHBondContact O-OG 2.95Å; H187-S190 PolarHBondContact O-OG 2.8Å; V188-S190 PolarHBondContact O-N 3.11Å
191R75.9Confident72.7Confident157 Ų15766.8 Ų66.859%0.59235%0.351SS*.THydrogen-bonded Turntrans-87.9-12.2172.8-74.617817174.3-6.9113.8H187 V188 V189 P193H187-R191 PolarHBondContact CD2-NH1 3.08Å; H187-R191 PolarHBondContact CE1-NH1 2.99Å; H187-R191 PolarHBondContact CE1-NH2 3.09Å; H187-R191 PolarHBondContact ND1-NH1 2.69Å; H187-R191 PolarHBondContact NE2-NH1 3.37Å; H187-R191 PolarHBondContact NE2-NH2 3.38Å; H187-R191 PolarHBondContact O-NH1 3.33Å; V188-R191 WeakPolarHBondContact O-CB 3.26Å; V188-R191 PolarHBondContact O-N 3.37Å; V188-R191 VanDerWaalsContact O-N 3.14Å; V189-R191 PolarHBondContact O-N 3.04Å; R191-P193 WeakPolarHBondContact O-CD 3.46Å
192S73.7Confident70.4Confident48 Ų4875.9 Ų75.934%0.33638%0.381SS..  trans-92.899.5176.8-176.50000110.4V188 V189 D194 F195V188-S192 PolarHBondContact O-N 2.93Å; V189-S192 PolarHBondContact O-N 2.8Å; S192-D194 PolarHBondContact O-N 2.94Å; S192-D194 VanDerWaalsContact O-N 3.11Å; S192-F195 WeakPolarHBondContact O-CB 3.41Å; S192-F195 PolarHBondContact O-N 3.41Å; S192-F195 VanDerWaalsContact O-N 3.11Å; S192-F195 PolarHBondContact OG-N 3.28Å
193P63.2Low68.1Low95 Ų9578.6 Ų78.662%0.61740%0.399SS*.Hα-helixtrans-62-20.517725.9-34.5000112.7R191R191-P193 WeakPolarHBondContact O-CD 3.46Å
194D66.7Low66.9Low92 Ų9279.5 Ų79.549%0.49239%0.393SS..Hα-helixtrans-81.8-20.5179.2-65.9-41.3000113.2S192 R197 T198S192-D194 PolarHBondContact O-N 2.94Å; S192-D194 VanDerWaalsContact O-N 3.11Å; D194-R197 WeakPolarHBondContact O-CB 3.48Å; D194-R197 PolarHBondContact O-N 3.16Å; D194-R197 VanDerWaalsContact O-N 3.16Å; D194-T198 WeakPolarHBondContact O-CB 3.43Å; D194-T198 PolarHBondContact O-N 3.24Å; D194-T198 PolarHBondContact O-OG1 3.14Å
195F60Low65.6Low25 Ų2582.9 Ų82.911%0.1141%0.411CS..Hα-helixtrans-60.8-50.8177.4176.1-94.1000111.2L124 A127 F185 V189 S192 R197 T198 F199L124-F195 HydrophobicContact CD2-CD1 4.39Å; L124-F195 HydrophobicContact CD2-CE1 3.77Å; L124-F195 HydrophobicContact CD2-CZ 4.32Å; A127-F195 HydrophobicContact CB-CE2 4.3Å; A127-F195 HydrophobicContact CB-CZ 3.56Å; F185-F195 HydrophobicContact CZ-CE2 4.43Å; V189-F195 HydrophobicContact CB-CG 4.42Å; V189-F195 HydrophobicContact CG1-CB 3.79Å; V189-F195 HydrophobicContact CG1-CD1 3.11Å; V189-F195 HydrophobicContact CG1-CD2 3.56Å; V189-F195 HydrophobicContact CG1-CE1 3.42Å; V189-F195 VanDerWaalsContact CG1-CE1 3.42Å; V189-F195 HydrophobicContact CG1-CE2 3.82Å; V189-F195 HydrophobicContact CG1-CG 3.19Å; V189-F195 HydrophobicContact CG1-CZ 3.75Å; V189-F195 HydrophobicContact CG2-CD2 4.19Å; V189-F195 HydrophobicContact CG2-CE2 4.27Å; S192-F195 WeakPolarHBondContact O-CB 3.41Å; S192-F195 PolarHBondContact O-N 3.41Å; S192-F195 VanDerWaalsContact O-N 3.11Å; S192-F195 PolarHBondContact OG-N 3.28Å; F195-R197 PolarHBondContact O-N 3.49Å; F195-T198 PolarHBondContact O-N 2.95Å; F195-T198 VanDerWaalsContact O-N 3.09Å; F195-F199 HydrophobicContact CE1-CB 4.21Å; F195-F199 HydrophobicContact CZ-CB 4.22Å; F195-F199 HydrophobicContact CZ-CD2 4.3Å; F195-F199 HydrophobicContact CZ-CG 4.21Å; F195-F199 WeakPolarHBondContact O-CB 3.42Å; F195-F199 PolarHBondContact O-N 3.46Å
196C53.7Low64.3Low55 Ų5586.6 Ų86.637%0.37243%0.43SS..Hα-helixtrans-52.6-49.3174.9-70.90000109.1T198 F199 H200C196-T198 VanDerWaalsContact C-N 3.28Å; C196-T198 PolarHBondContact O-N 3.41Å; C196-F199 PolarHBondContact O-N 2.99Å; C196-H200 PolarHBondContact O-CD2 2.8Å; C196-H200 PolarHBondContact O-CE1 2.75Å; C196-H200 PolarHBondContact O-ND1 3.05Å; C196-H200 PolarHBondContact O-NE2 3.38Å
197R50.7Low62.8Low186 Ų18687.8 Ų87.870%0.70244%0.437SS*.Hα-helixtrans-57.4-35.5-179.4-65.7-177.3179.4-1670.6114.5D194 F195 H200D194-R197 WeakPolarHBondContact O-CB 3.48Å; D194-R197 PolarHBondContact O-N 3.16Å; D194-R197 VanDerWaalsContact O-N 3.16Å; F195-R197 PolarHBondContact O-N 3.49Å; R197-H200 WeakPolarHBondContact CA-CE1 3.15Å; R197-H200 PolarHBondContact O-ND1 2.88Å
198T53.3Low61.3Low118 Ų11888.8 Ų88.872%0.72444%0.443SS*.Hα-helixtrans-86.3-30.7-176.1-49.70000112D194 F195 C196 H200D194-T198 WeakPolarHBondContact O-CB 3.43Å; D194-T198 PolarHBondContact O-N 3.24Å; D194-T198 PolarHBondContact O-OG1 3.14Å; F195-T198 PolarHBondContact O-N 2.95Å; F195-T198 VanDerWaalsContact O-N 3.09Å; C196-T198 VanDerWaalsContact C-N 3.28Å; C196-T198 PolarHBondContact O-N 3.41Å; T198-H200 VanDerWaalsContact C-N 3.34Å; T198-H200 PolarHBondContact O-N 3.23Å
199F50.7Low59.8Low38 Ų3891.4 Ų91.417%0.16745%0.453CS..SBendtrans-92.353.2-178.2-154.1-94.2000112.8L114 A127 I130 F195 C196L114-F199 HydrophobicContact CD2-CE1 3.98Å; L114-F199 HydrophobicContact CD2-CZ 4.44Å; A127-F199 HydrophobicContact CB-CD2 4.26Å; A127-F199 HydrophobicContact CB-CE1 4.24Å; A127-F199 HydrophobicContact CB-CE2 3.77Å; A127-F199 HydrophobicContact CB-CZ 3.76Å; I130-F199 HydrophobicContact CD1-CE2 4.01Å; I130-F199 HydrophobicContact CD1-CZ 3.67Å; F195-F199 HydrophobicContact CE1-CB 4.21Å; F195-F199 HydrophobicContact CZ-CB 4.22Å; F195-F199 HydrophobicContact CZ-CD2 4.3Å; F195-F199 HydrophobicContact CZ-CG 4.21Å; F195-F199 WeakPolarHBondContact O-CB 3.42Å; F195-F199 PolarHBondContact O-N 3.46Å; C196-F199 PolarHBondContact O-N 2.99Å
200H51.5Low58.2Low102 Ų10296.9 Ų96.947%0.47248%0.478SS..  trans-131.6132.6171-36.8115.8000112C196 R197 T198C196-H200 PolarHBondContact O-CD2 2.8Å; C196-H200 PolarHBondContact O-CE1 2.75Å; C196-H200 PolarHBondContact O-ND1 3.05Å; C196-H200 PolarHBondContact O-NE2 3.38Å; R197-H200 WeakPolarHBondContact CA-CE1 3.15Å; R197-H200 PolarHBondContact O-ND1 2.88Å; T198-H200 VanDerWaalsContact C-N 3.34Å; T198-H200 PolarHBondContact O-N 3.23Å
201V47.8Very low56.6Low18 Ų1898.5 Ų98.511%0.10948%0.475CS..  trans-98.9119.2160.71700000107.4E80 L114 I203E80-V201 HydrophobicContact CB-CG1 3.34Å; E80-V201 HydrophobicContact CG-CG1 3.22Å; L114-V201 HydrophobicContact CD1-CG2 4.18Å; V201-I203 PolarHBondContact O-N 2.84Å
202R45Very low55Low220 Ų22093.7 Ų93.783%0.8347%0.465SS*.  trans-75.1120167.7-77.9-173-178.7-171.41.5108.8
203I44.4Very low53.4Low127 Ų12797.8 Ų97.865%0.65148%0.477SS*.  trans-83.10170.2-53.2171.8000109.7F111 V201F111-I203 HydrophobicContact CB-CD1 4.39Å; F111-I203 HydrophobicContact CD1-CD1 3.56Å; F111-I203 HydrophobicContact CD1-CG1 3.77Å; F111-I203 HydrophobicContact CE1-CD1 4.35Å; F111-I203 HydrophobicContact CE1-CG1 4.06Å; F111-I203 HydrophobicContact CG-CD1 4.43Å; V201-I203 PolarHBondContact O-N 2.84Å

Retrieved 203 of 203 residues in 369.4 ms (Link to these results)

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