A0A087XTS8_POEFO Loading...

Cytochrome P450 26A1

AlphaFold DB , UniProt , Accession A0A087XTS8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 489 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
1M59.8Low76.8Confident200 Ų200101.5 Ų101.599%0.98558%0.58SS**  0-45.10-77.1-168.5-68.800113.4L3 S4 T5M1-L3 PolarHBondContact O-N 3.31Å; M1-S4 PolarHBondContact O-OG 3.44Å; M1-T5 PolarHBondContact O-N 3.12Å; M1-T5 PolarHBondContact O-OG1 3.21Å; M1-T5 VanDerWaalsContact O-OG1 3.08Å
2A68.7Low77.3Confident70 Ų7099.9 Ų99.958%0.57958%0.579SS**Hα-helixtrans-64.9-38.1-17900000114.7T5 L6A2-T5 WeakPolarHBondContact CA-OG1 3.34Å; A2-T5 PolarHBondContact O-OG1 2.98Å; A2-L6 WeakPolarHBondContact O-CB 3.46Å; A2-L6 PolarHBondContact O-N 2.82Å
3L75.1Confident77.9Confident141 Ų14199.4 Ų99.474%0.73858%0.578SS**Hα-helixtrans-69.7-39.2-179.7-167.171.1000112.4M1 L6 L7M1-L3 PolarHBondContact O-N 3.31Å; L3-L6 PolarHBondContact O-N 2.89Å; L3-L7 WeakPolarHBondContact O-CB 3.31Å; L3-L7 PolarHBondContact O-N 2.85Å
4S75.4Confident78.4Confident76 Ų7699.2 Ų99.253%0.53157%0.573SS.*Hα-helixtrans-68.4-35.8178.147.20000112.4M1 A8M1-S4 PolarHBondContact O-OG 3.44Å; S4-A8 VanDerWaalsContact O-CB 3.3Å; S4-A8 WeakPolarHBondContact O-CB 3.49Å; S4-A8 PolarHBondContact O-N 3.43Å
5T79.6Confident79.1Confident90 Ų9096.6 Ų96.655%0.55256%0.559SS**Hα-helixtrans-73.6-38.1175.249.90000112M1 A2 A8 S9M1-T5 PolarHBondContact O-N 3.12Å; M1-T5 PolarHBondContact O-OG1 3.21Å; M1-T5 VanDerWaalsContact O-OG1 3.08Å; A2-T5 WeakPolarHBondContact CA-OG1 3.34Å; A2-T5 PolarHBondContact O-OG1 2.98Å; T5-A8 PolarHBondContact O-N 3.33Å; T5-S9 VanDerWaalsContact O-CB 3.26Å; T5-S9 WeakPolarHBondContact O-CB 3.48Å; T5-S9 PolarHBondContact O-N 2.86Å
6L78.5Confident79.9Confident121 Ų12196.1 Ų96.163%0.63455%0.553SS**Hα-helixtrans-61.6-44.1171.4-101141.5000112A2 L3 S9 F10A2-L6 WeakPolarHBondContact O-CB 3.46Å; A2-L6 PolarHBondContact O-N 2.82Å; L3-L6 PolarHBondContact O-N 2.89Å; L6-S9 PolarHBondContact O-N 3.37Å; L6-F10 WeakPolarHBondContact O-CB 3.48Å; L6-F10 PolarHBondContact O-N 3.3Å
7L80.6Confident80.5Confident107 Ų10794.1 Ų94.156%0.5654%0.544SS*.Hα-helixtrans-65.6-44178.1-152.392.6000111.7L3 F10 L11L3-L7 WeakPolarHBondContact O-CB 3.31Å; L3-L7 PolarHBondContact O-N 2.85Å; L7-F10 PolarHBondContact O-N 3.25Å; L7-L11 HydrophobicContact CD2-CD1 4.25Å; L7-L11 HydrophobicContact CG-CD1 4.4Å; L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 VanDerWaalsContact O-CG 3.27Å; L7-L11 WeakPolarHBondContact O-CG 3.38Å; L7-L11 PolarHBondContact O-N 3.15Å
8A80.1Confident81.1Confident50 Ų5093.2 Ų93.241%0.41354%0.54SS..Hα-helixtrans-64.2-41.4176.400000111.8S4 T5 L11 C12S4-A8 VanDerWaalsContact O-CB 3.3Å; S4-A8 WeakPolarHBondContact O-CB 3.49Å; S4-A8 PolarHBondContact O-N 3.43Å; T5-A8 PolarHBondContact O-N 3.33Å; A8-L11 PolarHBondContact O-N 3.4Å; A8-C12 WeakPolarHBondContact O-CB 3.38Å; A8-C12 PolarHBondContact O-N 2.72Å; A8-C12 PolarHBondContact O-SG 3.38Å; A8-C12 VanDerWaalsContact O-SG 3.4Å
9S82.1Confident81.6Confident67 Ų6793.6 Ų93.647%0.46954%0.54SS..Hα-helixtrans-62.4-46.4175-175.70000111.3T5 L6 C12 T13T5-S9 VanDerWaalsContact O-CB 3.26Å; T5-S9 WeakPolarHBondContact O-CB 3.48Å; T5-S9 PolarHBondContact O-N 2.86Å; L6-S9 PolarHBondContact O-N 3.37Å; S9-C12 PolarHBondContact O-N 2.88Å; S9-T13 VanDerWaalsContact O-CB 3.3Å; S9-T13 WeakPolarHBondContact O-CB 3.46Å; S9-T13 VanDerWaalsContact O-CG2 3.28Å; S9-T13 WeakPolarHBondContact O-CG2 3.32Å; S9-T13 PolarHBondContact O-N 2.77Å; S9-T13 PolarHBondContact O-OG1 3.01Å
10F83.4Confident82.1Confident112 Ų11294.1 Ų94.149%0.49154%0.539SS..Hα-helixtrans-61.8-44.4176.4179.2-100.6000112.7L6 L7 L14 V15L6-F10 WeakPolarHBondContact O-CB 3.48Å; L6-F10 PolarHBondContact O-N 3.3Å; L7-F10 PolarHBondContact O-N 3.25Å; F10-L14 HydrophobicContact CD2-CB 4.38Å; F10-L14 HydrophobicContact CE2-CB 4.27Å; F10-L14 HydrophobicContact CE2-CD1 4.46Å; F10-L14 HydrophobicContact CE2-CD2 4.02Å; F10-L14 HydrophobicContact CE2-CG 4.48Å; F10-L14 HydrophobicContact CZ-CD2 4.15Å; F10-L14 WeakPolarHBondContact O-CB 3.29Å; F10-L14 PolarHBondContact O-N 3.19Å; F10-V15 HydrophobicContact CD1-CG2 4.34Å; F10-V15 HydrophobicContact CE1-CG2 3.98Å; F10-V15 PolarHBondContact O-N 3.43Å
11L82Confident82.4Confident82 Ų8295.4 Ų95.443%0.42954%0.539SS..Iπ-helixtrans-62.1-44.6177.2-75.7166.7000111.9L7 A8 V15 L16L7-L11 HydrophobicContact CD2-CD1 4.25Å; L7-L11 HydrophobicContact CG-CD1 4.4Å; L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 VanDerWaalsContact O-CG 3.27Å; L7-L11 WeakPolarHBondContact O-CG 3.38Å; L7-L11 PolarHBondContact O-N 3.15Å; A8-L11 PolarHBondContact O-N 3.4Å; L11-V15 HydrophobicContact CD2-CB 4.16Å; L11-V15 HydrophobicContact CD2-CG1 4.37Å; L11-V15 HydrophobicContact CD2-CG2 4.03Å; L11-V15 WeakPolarHBondContact O-CB 3.15Å; L11-V15 PolarHBondContact O-N 2.98Å; L11-L16 PolarHBondContact O-N 2.94Å
12C82.4Confident83.9Confident83 Ų8390.8 Ų90.856%0.56152%0.518SS*.Iπ-helixtrans-76.6-32.4-178-71.20000113.7A8 S9 P17A8-C12 WeakPolarHBondContact O-CB 3.38Å; A8-C12 PolarHBondContact O-N 2.72Å; A8-C12 PolarHBondContact O-SG 3.38Å; A8-C12 VanDerWaalsContact O-SG 3.4Å; S9-C12 PolarHBondContact O-N 2.88Å; C12-P17 WeakPolarHBondContact O-CD 3.37Å
13T85.3Confident85Confident93 Ų9390.8 Ų90.857%0.57151%0.511SS*.Iπ-helixtrans-90.2-24.8-176.157.20000113.7S9 P17S9-T13 VanDerWaalsContact O-CB 3.3Å; S9-T13 WeakPolarHBondContact O-CB 3.46Å; S9-T13 VanDerWaalsContact O-CG2 3.28Å; S9-T13 WeakPolarHBondContact O-CG2 3.32Å; S9-T13 PolarHBondContact O-N 2.77Å; S9-T13 PolarHBondContact O-OG1 3.01Å; T13-P17 WeakPolarHBondContact O-CG 3.49Å
14L85.4Confident85.7Confident97 Ų9785.8 Ų85.851%0.50849%0.49SS..Iπ-helixtrans-122.2-50.2-173.3-144.3121.4000112.8F10 V18F10-L14 HydrophobicContact CD2-CB 4.38Å; F10-L14 HydrophobicContact CE2-CB 4.27Å; F10-L14 HydrophobicContact CE2-CD1 4.46Å; F10-L14 HydrophobicContact CE2-CD2 4.02Å; F10-L14 HydrophobicContact CE2-CG 4.48Å; F10-L14 HydrophobicContact CZ-CD2 4.15Å; F10-L14 WeakPolarHBondContact O-CB 3.29Å; F10-L14 PolarHBondContact O-N 3.19Å; L14-V18 WeakPolarHBondContact O-CB 3.35Å; L14-V18 WeakPolarHBondContact O-CG2 3.38Å; L14-V18 PolarHBondContact O-N 3.02Å
15V88.7Confident86.2Confident60 Ų6083.2 Ų83.236%0.36447%0.471SS..Iπ-helixtrans-74-47.6-174.8-179.80000111.9F10 L11 V18 L19F10-V15 HydrophobicContact CD1-CG2 4.34Å; F10-V15 HydrophobicContact CE1-CG2 3.98Å; F10-V15 PolarHBondContact O-N 3.43Å; L11-V15 HydrophobicContact CD2-CB 4.16Å; L11-V15 HydrophobicContact CD2-CG1 4.37Å; L11-V15 HydrophobicContact CD2-CG2 4.03Å; L11-V15 WeakPolarHBondContact O-CB 3.15Å; L11-V15 PolarHBondContact O-N 2.98Å; V15-V18 PolarHBondContact O-N 3.5Å; V15-L19 WeakPolarHBondContact O-CB 3.46Å; V15-L19 PolarHBondContact O-N 3.26Å
16L91.1Very high86.6Confident88 Ų8884.6 Ų84.646%0.46147%0.469SS..Hα-helixtrans-62.9-46-178.4-178.167.6000112.6L11 V18 L19 L20L11-L16 PolarHBondContact O-N 2.94Å; L16-V18 VanDerWaalsContact C-N 3.34Å; L16-V18 PolarHBondContact O-N 2.87Å; L16-L19 PolarHBondContact O-N 3.24Å; L16-L20 HydrophobicContact CD1-CD1 4.38Å; L16-L20 HydrophobicContact CD1-CG 4.27Å; L16-L20 HydrophobicContact CG-CD1 4.09Å; L16-L20 HydrophobicContact CG-CG 4.4Å; L16-L20 WeakPolarHBondContact O-CB 3.3Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.46Å; L16-L20 PolarHBondContact O-N 2.89Å
17P90.6Very high87Confident63 Ų6384 Ų8441%0.40947%0.466SS..Hα-helixtrans-62.5-38.2176.2-25.837.5000113.2C12 T13 F21C12-P17 WeakPolarHBondContact O-CD 3.37Å; T13-P17 WeakPolarHBondContact O-CG 3.49Å; P17-F21 VanDerWaalsContact O-CB 3.29Å; P17-F21 WeakPolarHBondContact O-CB 3.29Å; P17-F21 PolarHBondContact O-N 3.25Å
18V90.9Very high87.2Confident78 Ų7880.3 Ų80.347%0.47345%0.445SS..Hα-helixtrans-65.1-44.6175.8170.60000110.7L14 V15 L16 F21 L22L14-V18 WeakPolarHBondContact O-CB 3.35Å; L14-V18 WeakPolarHBondContact O-CG2 3.38Å; L14-V18 PolarHBondContact O-N 3.02Å; V15-V18 PolarHBondContact O-N 3.5Å; L16-V18 VanDerWaalsContact C-N 3.34Å; L16-V18 PolarHBondContact O-N 2.87Å; V18-F21 WeakPolarHBondContact O-CB 3.44Å; V18-F21 PolarHBondContact O-N 3.46Å; V18-L22 HydrophobicContact CG1-CD1 4.16Å; V18-L22 HydrophobicContact CG1-CG 4.47Å; V18-L22 WeakPolarHBondContact O-CG 3.42Å; V18-L22 PolarHBondContact O-N 3.39Å
19L91.6Very high87.2Confident100 Ų10081.3 Ų81.352%0.52444%0.441SS..Hα-helixtrans-65.6-42.5178.5-169.4132.2000111.7V15 L16 F21 L22 V23V15-L19 WeakPolarHBondContact O-CB 3.46Å; V15-L19 PolarHBondContact O-N 3.26Å; L16-L19 PolarHBondContact O-N 3.24Å; L19-F21 VanDerWaalsContact C-N 3.32Å; L19-F21 PolarHBondContact O-N 3.13Å; L19-L22 PolarHBondContact O-N 3.38Å; L19-V23 HydrophobicContact CD2-CG2 4.37Å; L19-V23 VanDerWaalsContact O-CG2 3.31Å; L19-V23 WeakPolarHBondContact O-CG2 3.33Å; L19-V23 PolarHBondContact O-N 3.38Å
20L91.1Very high87.1Confident103 Ų10382 Ų8254%0.53944%0.438SS..Hα-helixtrans-61.2-41173-72.5174.3000111.7L16 V23 A24L16-L20 HydrophobicContact CD1-CD1 4.38Å; L16-L20 HydrophobicContact CD1-CG 4.27Å; L16-L20 HydrophobicContact CG-CD1 4.09Å; L16-L20 HydrophobicContact CG-CG 4.4Å; L16-L20 WeakPolarHBondContact O-CB 3.3Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.46Å; L16-L20 PolarHBondContact O-N 2.89Å; L20-V23 PolarHBondContact O-N 3.41Å; L20-A24 VanDerWaalsContact O-CB 3.27Å; L20-A24 WeakPolarHBondContact O-CB 3.35Å; L20-A24 PolarHBondContact O-N 3.31Å
21F89.3Confident87Confident122 Ų12284 Ų8454%0.53544%0.444SS..Hα-helixtrans-62.8-46.2175177.8-101.3000111.6P17 V18 L19 V23 A24 V25P17-F21 VanDerWaalsContact O-CB 3.29Å; P17-F21 WeakPolarHBondContact O-CB 3.29Å; P17-F21 PolarHBondContact O-N 3.25Å; V18-F21 WeakPolarHBondContact O-CB 3.44Å; V18-F21 PolarHBondContact O-N 3.46Å; L19-F21 VanDerWaalsContact C-N 3.32Å; L19-F21 PolarHBondContact O-N 3.13Å; F21-V23 PolarHBondContact O-N 3.17Å; F21-A24 WeakPolarHBondContact O-CB 3.23Å; F21-A24 PolarHBondContact O-N 2.64Å; F21-V25 HydrophobicContact CD1-CG2 4.23Å; F21-V25 HydrophobicContact CE1-CG2 3.82Å; F21-V25 HydrophobicContact CE2-CG2 4.13Å; F21-V25 HydrophobicContact CZ-CG2 3.76Å; F21-V25 VanDerWaalsContact O-CG2 3.31Å; F21-V25 WeakPolarHBondContact O-CG2 3.47Å; F21-V25 PolarHBondContact O-N 3.04Å
22L91.1Very high86.6Confident103 Ų10380.4 Ų80.454%0.53943%0.425SS..Hα-helixtrans-63.1-41.6177.5-69.9174.5000112.2V18 L19 V25 K26V18-L22 HydrophobicContact CG1-CD1 4.16Å; V18-L22 HydrophobicContact CG1-CG 4.47Å; V18-L22 WeakPolarHBondContact O-CG 3.42Å; V18-L22 PolarHBondContact O-N 3.39Å; L19-L22 PolarHBondContact O-N 3.38Å; L22-V25 PolarHBondContact O-N 3.1Å; L22-K26 WeakPolarHBondContact O-CG 2.97Å; L22-K26 PolarHBondContact O-N 2.88Å
23V91.6Very high85.9Confident71 Ų7182.3 Ų82.343%0.4343%0.428SS..Hα-helixtrans-62.2-45173.3170.80000110.3L19 L20 F21 V25 K26 L27L19-V23 HydrophobicContact CD2-CG2 4.37Å; L19-V23 VanDerWaalsContact O-CG2 3.31Å; L19-V23 WeakPolarHBondContact O-CG2 3.33Å; L19-V23 PolarHBondContact O-N 3.38Å; L20-V23 PolarHBondContact O-N 3.41Å; F21-V23 PolarHBondContact O-N 3.17Å; V23-V25 VanDerWaalsContact C-N 3.34Å; V23-V25 PolarHBondContact O-N 3.01Å; V23-K26 PolarHBondContact O-N 3.02Å; V23-L27 HydrophobicContact CG1-CD1 3.81Å; V23-L27 HydrophobicContact CG1-CG 4.17Å; V23-L27 WeakPolarHBondContact O-CB 3.4Å; V23-L27 VanDerWaalsContact O-CG 3.29Å; V23-L27 WeakPolarHBondContact O-CG 3.5Å; V23-L27 PolarHBondContact O-N 2.87Å
24A88.5Confident85.2Confident36 Ų3687.5 Ų87.530%0.29844%0.437SS..Hα-helixtrans-61.6-41.4177.500000112L20 F21 L27 W28 F53L20-A24 VanDerWaalsContact O-CB 3.27Å; L20-A24 WeakPolarHBondContact O-CB 3.35Å; L20-A24 PolarHBondContact O-N 3.31Å; F21-A24 WeakPolarHBondContact O-CB 3.23Å; F21-A24 PolarHBondContact O-N 2.64Å; A24-L27 PolarHBondContact O-N 2.67Å; A24-W28 VanDerWaalsContact O-CB 3.25Å; A24-W28 WeakPolarHBondContact O-CB 3.42Å; A24-W28 PolarHBondContact O-N 3.11Å; A24-F53 HydrophobicContact CB-CZ 4.07Å
25V86.7Confident84.6Confident21 Ų2183.9 Ų83.913%0.12742%0.423CS..Hα-helixtrans-62.7-44.4173.8170.60000111F21 L22 V23 W28 E29 P52F21-V25 HydrophobicContact CD1-CG2 4.23Å; F21-V25 HydrophobicContact CE1-CG2 3.82Å; F21-V25 HydrophobicContact CE2-CG2 4.13Å; F21-V25 HydrophobicContact CZ-CG2 3.76Å; F21-V25 VanDerWaalsContact O-CG2 3.31Å; F21-V25 WeakPolarHBondContact O-CG2 3.47Å; F21-V25 PolarHBondContact O-N 3.04Å; L22-V25 PolarHBondContact O-N 3.1Å; V23-V25 VanDerWaalsContact C-N 3.34Å; V23-V25 PolarHBondContact O-N 3.01Å; V25-W28 PolarHBondContact O-N 3.12Å; V25-E29 WeakPolarHBondContact O-CG 3.24Å; V25-E29 PolarHBondContact O-N 3.37Å; V25-P52 HydrophobicContact CB-CG 4.46Å; V25-P52 HydrophobicContact CG1-CG 3.87Å; V25-P52 HydrophobicContact CG2-CB 4.11Å; V25-P52 HydrophobicContact CG2-CG 3.96Å
26K86.9Confident84.2Confident120 Ų12081.8 Ų81.852%0.52241%0.414SS..Hα-helixtrans-66.8-41.5178-77.4-70.6166.4-153.90112.8L22 V23 W28 E29 I30L22-K26 WeakPolarHBondContact O-CG 2.97Å; L22-K26 PolarHBondContact O-N 2.88Å; V23-K26 PolarHBondContact O-N 3.02Å; K26-W28 VanDerWaalsContact C-N 3.32Å; K26-E29 IonicContact NZ-OE2 2.77Å; K26-E29 PolarHBondContact NZ-OE2 3.13Å; K26-E29 PolarHBondContact O-N 3.06Å; K26-I30 WeakPolarHBondContact O-CB 3.16Å; K26-I30 VanDerWaalsContact O-CG1 3.24Å; K26-I30 WeakPolarHBondContact O-CG1 3.36Å; K26-I30 PolarHBondContact O-N 3.25Å
27L87.1Confident84.1Confident109 Ų10979.8 Ų79.857%0.57140%0.404SS*.Hα-helixtrans-63.5-40.3174.1-71.2175.5000111.2V23 A24 I30 Y31V23-L27 HydrophobicContact CG1-CD1 3.81Å; V23-L27 HydrophobicContact CG1-CG 4.17Å; V23-L27 WeakPolarHBondContact O-CB 3.4Å; V23-L27 VanDerWaalsContact O-CG 3.29Å; V23-L27 WeakPolarHBondContact O-CG 3.5Å; V23-L27 PolarHBondContact O-N 2.87Å; A24-L27 PolarHBondContact O-N 2.67Å; L27-I30 PolarHBondContact O-N 3.37Å; L27-Y31 VanDerWaalsContact O-CB 3.29Å; L27-Y31 WeakPolarHBondContact O-CB 3.48Å; L27-Y31 PolarHBondContact O-N 3.32Å
28W84.9Confident83.9Confident29 Ų2983 Ų8311%0.1143%0.425CS..Hα-helixtrans-62.6-47.9173.6-179.984.1000111.4A24 V25 K26 I30 Y31 M32 M49 P52 F53A24-W28 VanDerWaalsContact O-CB 3.25Å; A24-W28 WeakPolarHBondContact O-CB 3.42Å; A24-W28 PolarHBondContact O-N 3.11Å; V25-W28 PolarHBondContact O-N 3.12Å; K26-W28 VanDerWaalsContact C-N 3.32Å; W28-I30 VanDerWaalsContact C-N 3.33Å; W28-I30 PolarHBondContact O-N 3.03Å; W28-Y31 PolarHBondContact O-N 3.28Å; W28-M32 HydrophobicContact CD2-CG 3.97Å; W28-M32 HydrophobicContact CE3-CG 4.46Å; W28-M32 HydrophobicContact CG-CG 4.37Å; W28-M32 HydrophobicContact CH2-CG 4.46Å; W28-M32 HydrophobicContact CZ2-CE 4.39Å; W28-M32 HydrophobicContact CZ2-CG 3.94Å; W28-M32 WeakPolarHBondContact O-CB 3.46Å; W28-M32 WeakPolarHBondContact O-CG 3.47Å; W28-M32 PolarHBondContact O-N 3.12Å; W28-M49 HydrophobicContact CH2-CB 3.9Å; W28-M49 HydrophobicContact CZ2-CB 4.33Å; W28-P52 HydrophobicContact CD2-CB 4.03Å; W28-P52 HydrophobicContact CE3-CB 3.81Å; W28-P52 HydrophobicContact CE3-CG 3.97Å; W28-P52 HydrophobicContact CZ3-CB 4.13Å; W28-P52 HydrophobicContact CZ3-CG 4Å; W28-F53 HydrophobicContact CB-CE1 4.27Å; W28-F53 HydrophobicContact CB-CZ 4.24Å; W28-F53 HydrophobicContact CG-CE1 4.35Å
29E80.2Confident83.8Confident71 Ų7184.1 Ų84.133%0.33244%0.436SS..Hα-helixtrans-56.5-46.5175-77.2178.5175.200111.6V25 K26 M32 I33V25-E29 WeakPolarHBondContact O-CG 3.24Å; V25-E29 PolarHBondContact O-N 3.37Å; K26-E29 IonicContact NZ-OE2 2.77Å; K26-E29 PolarHBondContact NZ-OE2 3.13Å; K26-E29 PolarHBondContact O-N 3.06Å; E29-M32 PolarHBondContact O-N 2.9Å; E29-I33 WeakPolarHBondContact O-CB 3.35Å; E29-I33 WeakPolarHBondContact O-CG1 3.28Å; E29-I33 PolarHBondContact O-N 2.85Å
30I81Confident83.8Confident80 Ų8080.5 Ų80.541%0.4142%0.419SS..Hα-helixtrans-62.6-46.4178.2-69165.7000110.8K26 L27 W28 M32 I33 R34K26-I30 WeakPolarHBondContact O-CB 3.16Å; K26-I30 VanDerWaalsContact O-CG1 3.24Å; K26-I30 WeakPolarHBondContact O-CG1 3.36Å; K26-I30 PolarHBondContact O-N 3.25Å; L27-I30 PolarHBondContact O-N 3.37Å; W28-I30 VanDerWaalsContact C-N 3.33Å; W28-I30 PolarHBondContact O-N 3.03Å; I30-M32 VanDerWaalsContact C-N 3.27Å; I30-M32 PolarHBondContact O-N 2.93Å; I30-I33 PolarHBondContact O-N 3.48Å; I30-R34 HydrophobicContact CG2-CG 4.26Å; I30-R34 VanDerWaalsContact O-CB 3.25Å; I30-R34 WeakPolarHBondContact O-CB 3.33Å; I30-R34 WeakPolarHBondContact O-CG 3.34Å; I30-R34 PolarHBondContact O-N 3.44Å
31Y80Confident83.8Confident155 Ų15581.6 Ų81.661%0.60843%0.432SS*.Hα-helixtrans-57.6-42.3176.7173.5-100.1000111.4L27 W28 G35L27-Y31 VanDerWaalsContact O-CB 3.29Å; L27-Y31 WeakPolarHBondContact O-CB 3.48Å; L27-Y31 PolarHBondContact O-N 3.32Å; W28-Y31 PolarHBondContact O-N 3.28Å; Y31-G35 WeakPolarHBondContact O-CA 2.96Å; Y31-G35 PolarHBondContact O-N 2.91Å
32M74.1Confident84Confident7 Ų776.6 Ų76.63%0.03441%0.413CS..Hα-helixtrans-75.2-35.7-178.7-66.1-58.8-72.200113.1W28 E29 I30 M49 H82 P87W28-M32 HydrophobicContact CD2-CG 3.97Å; W28-M32 HydrophobicContact CE3-CG 4.46Å; W28-M32 HydrophobicContact CG-CG 4.37Å; W28-M32 HydrophobicContact CH2-CG 4.46Å; W28-M32 HydrophobicContact CZ2-CE 4.39Å; W28-M32 HydrophobicContact CZ2-CG 3.94Å; W28-M32 WeakPolarHBondContact O-CB 3.46Å; W28-M32 WeakPolarHBondContact O-CG 3.47Å; W28-M32 PolarHBondContact O-N 3.12Å; E29-M32 PolarHBondContact O-N 2.9Å; I30-M32 VanDerWaalsContact C-N 3.27Å; I30-M32 PolarHBondContact O-N 2.93Å; M32-M49 HydrophobicContact CE-CB 3.98Å; M32-M49 HydrophobicContact CE-CE 3.48Å; M32-M49 VanDerWaalsContact CE-CE 3.48Å; M32-M49 HydrophobicContact CE-CG 3.53Å; M32-M49 HydrophobicContact CE-SD 3.34Å; M32-M49 WeakPolarHBondContact CE-SD 3.43Å; M32-H82 HydrophobicContact CE-CB 4.41Å; M32-P87 HydrophobicContact CE-CB 4.11Å; M32-P87 HydrophobicContact CE-CG 3.9Å; M32-P87 HydrophobicContact SD-CG 3.85Å
33I68.3Low84.2Confident122 Ų12275.5 Ų75.563%0.62641%0.412SS*.Hα-helixtrans-73.9-42.4176.9-68.9166.4000110.9E29 I30 G35E29-I33 WeakPolarHBondContact O-CB 3.35Å; E29-I33 WeakPolarHBondContact O-CG1 3.28Å; E29-I33 PolarHBondContact O-N 2.85Å; I30-I33 PolarHBondContact O-N 3.48Å; I33-G35 PolarHBondContact O-N 3Å
34R69.5Low84.3Confident202 Ų20273.7 Ų73.776%0.76240%0.399SS*.THydrogen-bonded Turntrans-80.93.9175.1-65.6-173.5173.4-175.6-2.5113.4I30 G36I30-R34 HydrophobicContact CG2-CG 4.26Å; I30-R34 VanDerWaalsContact O-CB 3.25Å; I30-R34 WeakPolarHBondContact O-CB 3.33Å; I30-R34 WeakPolarHBondContact O-CG 3.34Å; I30-R34 PolarHBondContact O-N 3.44Å; R34-G36 PolarHBondContact O-N 3.46Å
35G72.4Confident84.6Confident21 Ų2172 Ų7222%0.21639%0.385CS..THydrogen-bonded Turntrans-69.2-7.5-18000000114.2Y31 I33 P381Y31-G35 WeakPolarHBondContact O-CA 2.96Å; Y31-G35 PolarHBondContact O-N 2.91Å; I33-G35 PolarHBondContact O-N 3Å; G35-P381 WeakPolarHBondContact O-CB 3.06Å; G35-P381 WeakPolarHBondContact O-CG 3.23Å
36G81.1Confident85.1Confident17 Ų1772.9 Ų72.918%0.17539%0.392CS..SBendtrans-73.4144.6167.800000111.4R34 P38R34-G36 PolarHBondContact O-N 3.46Å; G36-P38 VanDerWaalsContact O-CD 3.29Å; G36-P38 WeakPolarHBondContact O-CD 3.46Å
37D88.7Confident85.4Confident45 Ų4568 Ų6824%0.24138%0.375CS..  trans-74.6114.8172.3-168.6-27.9000109.5S39 C40 T372 Q379D37-S39 VanDerWaalsContact CG-OG 3.25Å; D37-S39 PolarHBondContact O-N 3.02Å; D37-S39 WeakPolarHBondContact OD1-CB 3.38Å; D37-S39 PolarHBondContact OD1-N 3.46Å; D37-S39 PolarHBondContact OD1-OG 3.12Å; D37-S39 PolarHBondContact OD2-OG 3.38Å; D37-C40 HydrophobicContact CB-CB 4.31Å; D37-C40 PolarHBondContact O-N 2.91Å; D37-C40 VanDerWaalsContact O-N 3.1Å; D37-T372 HydrophobicContact CB-CG2 3.61Å; D37-T372 WeakPolarHBondContact CB-OG1 3.31Å; D37-T372 WeakPolarHBondContact OD2-CB 3.42Å; D37-T372 PolarHBondContact OD2-OG1 3.36Å; D37-Q379 PolarHBondContact O-NE2 2.99Å
38P87Confident85.6Confident132 Ų13265 Ų6586%0.85736%0.364SS*.THydrogen-bonded Turntrans-64.7-19.1-179.4-19.933.1000113.4G36 C40G36-P38 VanDerWaalsContact O-CD 3.29Å; G36-P38 WeakPolarHBondContact O-CD 3.46Å; P38-C40 VanDerWaalsContact C-N 3.28Å
39S89.6Confident85.8Confident100 Ų10064.6 Ų64.670%0.69936%0.363SS*.THydrogen-bonded Turntrans-79-12.7177.572.20000113.2D37D37-S39 VanDerWaalsContact CG-OG 3.25Å; D37-S39 PolarHBondContact O-N 3.02Å; D37-S39 WeakPolarHBondContact OD1-CB 3.38Å; D37-S39 PolarHBondContact OD1-N 3.46Å; D37-S39 PolarHBondContact OD1-OG 3.12Å; D37-S39 PolarHBondContact OD2-OG 3.38Å
40C90.6Very high86.3Confident24 Ų2462.5 Ų62.516%0.16236%0.361CS..  trans-98.6120.4177.2-168.50000110.1D37 P38 S42 T372 Q379D37-C40 HydrophobicContact CB-CB 4.31Å; D37-C40 PolarHBondContact O-N 2.91Å; D37-C40 VanDerWaalsContact O-N 3.1Å; P38-C40 VanDerWaalsContact C-N 3.28Å; C40-S42 VanDerWaalsContact C-N 3.25Å; C40-S42 PolarHBondContact O-N 3.41Å; C40-T372 HydrophobicContact CB-CG2 3.98Å; C40-Q379 HydrophobicContact CB-CB 4.09Å; C40-Q379 PolarHBondContact O-NE2 3.4Å; C40-Q379 VanDerWaalsContact SG-CB 3.5Å
41P90.6Very high86.7Confident127 Ų12764 Ų6483%0.82537%0.369SS*.  trans-70.4-23.5-176.529-35.4000112.9
42S95Very high86.9Confident17 Ų1758.2 Ų58.212%0.11935%0.35CS..SBendtrans-73.1140.4-176.1-64.20000111C40 E374 Q379C40-S42 VanDerWaalsContact C-N 3.25Å; C40-S42 PolarHBondContact O-N 3.41Å; S42-E374 PolarHBondContact OG-OE2 3.02Å; S42-Q379 VanDerWaalsContact O-CG 3.23Å; S42-Q379 WeakPolarHBondContact O-CG 3.39Å; S42-Q379 PolarHBondContact O-NE2 2.71Å
43P94.1Very high87Confident80 Ų8062.8 Ų62.852%0.51937%0.37SS..PPolyproline II helixtrans-69.8162.2-178.729.4-35.7000111.9Y378 Q379P43-Y378 HydrophobicContact CG-CD1 4.11Å; P43-Y378 HydrophobicContact CG-CE1 4.32Å; P43-Y378 CarbonylContact O-C 3.42Å; P43-Y378 VanDerWaalsContact O-CA 3.31Å; P43-Y378 WeakPolarHBondContact O-CA 3.08Å; P43-Q379 PolarHBondContact O-N 3.1Å
44L93.9Very high87.6Confident32 Ų3261 Ų6117%0.16836%0.361CS..PPolyproline II helixtrans-62.9150.3166.7-73.8169.4000110.3Q379 P381 W384L44-Q379 HydrophobicContact CD2-CG 3.98Å; L44-Q379 HydrophobicContact CG-CG 4.35Å; L44-P381 HydrophobicContact CD2-CG 3.43Å; L44-P381 VanDerWaalsContact CD2-CG 3.43Å; L44-W384 HydrophobicContact CD1-CH2 4.26Å; L44-W384 HydrophobicContact CD2-CH2 3.84Å; L44-W384 HydrophobicContact CD2-CZ2 4.16Å; L44-W384 HydrophobicContact CD2-CZ3 4.35Å
45P95.8Very high88.6Confident1 Ų151.7 Ų51.71%0.00633%0.327CS..PPolyproline II helixtrans-53.9147.9173.2-25.532.3000111.8I78 R80 V89 Y378 Q379 I380P45-I78 HydrophobicContact CB-CG2 4.01Å; P45-I78 HydrophobicContact CG-CG2 3.94Å; P45-R80 HydrophobicContact CB-CB 4.4Å; P45-R80 WeakPolarHBondContact O-CD 3.48Å; P45-R80 VanDerWaalsContact O-CG 3.29Å; P45-R80 WeakPolarHBondContact O-CG 3.3Å; P45-R80 PolarHBondContact O-NE 3.36Å; P45-V89 HydrophobicContact CG-CG1 4Å; P45-V89 HydrophobicContact CG-CG2 4.26Å; P45-Y378 HydrophobicContact CB-CG 4.32Å; P45-Y378 HydrophobicContact CG-CG 4.27Å; P45-Q379 VanDerWaalsContact CD-O 3.27Å; P45-Q379 WeakPolarHBondContact CD-O 3.48Å; P45-I380 HydrophobicContact CG-CD1 4.11Å
46P95.8Very high89.6Confident40 Ų4051.1 Ų51.126%0.2632%0.319SS..SBendtrans-60.5155.9172.329.1-36.5000110.2Y75 Y79 R80P46-Y75 HydrophobicContact CB-CD1 4.03Å; P46-Y75 WeakPolarHBondContact CG-O 3.4Å; P46-Y79 CarbonylContact O-C 3.47Å; P46-Y79 WeakPolarHBondContact O-CA 3.29Å; P46-Y79 WeakPolarHBondContact O-CB 3.45Å; P46-R80 PolarHBondContact O-N 3.01Å
47G93.9Very high89.9Confident17 Ų1751.2 Ų51.218%0.17532%0.317CS..BIsolated β-bridgetrans141.1173.5177.100000114.2R80G47-R80 WeakPolarHBondContact CA-O 3.31Å; G47-R80 PolarHBondContact O-NE 3.33Å
48S91Very high89.8Confident47 Ų4754.2 Ų54.233%0.32933%0.332SS..  trans-115138.1-176.8178.30000110.5G50 R80 T81S48-G50 VanDerWaalsContact C-N 3.29Å; S48-G50 PolarHBondContact OG-N 3.22Å; S48-R80 PolarHBondContact N-O 3.09Å; S48-T81 VanDerWaalsContact O-CA 3.31Å; S48-T81 WeakPolarHBondContact O-CA 3.42Å
49M90.4Very high89.9Confident19 Ų1952.2 Ų52.29%0.09431%0.311CS..  trans-84.3-1.4174.5-63-56.6-163.400113.4W28 M32 G55 R80 H82 W384W28-M49 HydrophobicContact CH2-CB 3.9Å; W28-M49 HydrophobicContact CZ2-CB 4.33Å; M32-M49 HydrophobicContact CE-CB 3.98Å; M32-M49 HydrophobicContact CE-CE 3.48Å; M32-M49 VanDerWaalsContact CE-CE 3.48Å; M32-M49 HydrophobicContact CE-CG 3.53Å; M32-M49 HydrophobicContact CE-SD 3.34Å; M32-M49 WeakPolarHBondContact CE-SD 3.43Å; M49-G55 WeakPolarHBondContact O-CA 3.3Å; M49-R80 HydrophobicContact CE-CB 4.2Å; M49-R80 HydrophobicContact CE-CG 4.12Å; M49-R80 HydrophobicContact SD-CG 4.47Å; M49-H82 HydrophobicContact CB-CB 4.35Å; M49-H82 VanDerWaalsContact O-CB 3.25Å; M49-H82 WeakPolarHBondContact O-CB 3.24Å; M49-H82 HydrophobicContact SD-CB 4.22Å; M49-W384 HydrophobicContact CE-CH2 3.23Å; M49-W384 HydrophobicContact CE-CZ2 4.04Å; M49-W384 HydrophobicContact CE-CZ3 3.64Å
50G90.4Very high89.8Confident28 Ų2848.7 Ų48.729%0.28928%0.284SS..  trans65.9-151.6178.500000113.7S48S48-G50 VanDerWaalsContact C-N 3.29Å; S48-G50 PolarHBondContact OG-N 3.22Å
51L87.8Confident89.5Confident110 Ų11051 Ų5158%0.57630%0.297SS*.BIsolated β-bridgetrans-70.6148.9179.9-64.7174.6000111.3F53 G55L51-F53 PolarHBondContact O-N 3.08Å; L51-G55 PolarHBondContact N-O 3.17Å; L51-G55 WeakPolarHBondContact O-CA 3.41Å; L51-G55 PolarHBondContact O-N 3.04Å
52P84.3Confident89.2Confident34 Ų3451.7 Ų51.722%0.22129%0.293CS..THydrogen-bonded Turntrans-51.2136.3173.4-26.835.2000112.4V25 W28 I54V25-P52 HydrophobicContact CB-CG 4.46Å; V25-P52 HydrophobicContact CG1-CG 3.87Å; V25-P52 HydrophobicContact CG2-CB 4.11Å; V25-P52 HydrophobicContact CG2-CG 3.96Å; W28-P52 HydrophobicContact CD2-CB 4.03Å; W28-P52 HydrophobicContact CE3-CB 3.81Å; W28-P52 HydrophobicContact CE3-CG 3.97Å; W28-P52 HydrophobicContact CZ3-CB 4.13Å; W28-P52 HydrophobicContact CZ3-CG 4Å; P52-I54 PolarHBondContact O-N 2.81Å
53F76.4Confident88.7Confident104 Ų10455.1 Ų55.146%0.45631%0.308SS..THydrogen-bonded Turntrans64.6-39.7179.3-45.5-76000117A24 W28 L51 H82A24-F53 HydrophobicContact CB-CZ 4.07Å; W28-F53 HydrophobicContact CB-CE1 4.27Å; W28-F53 HydrophobicContact CB-CZ 4.24Å; W28-F53 HydrophobicContact CG-CE1 4.35Å; L51-F53 PolarHBondContact O-N 3.08Å; F53-H82 PolarHBondContact O-CE1 3.23Å
54I82.1Confident88.2Confident85 Ų8555.4 Ų55.444%0.43630%0.298SS..THydrogen-bonded Turntrans-89.3-30.1-176.7-61.7171.8000111P52 T57 L58P52-I54 PolarHBondContact O-N 2.81Å; I54-T57 WeakPolarHBondContact O-CB 3.29Å; I54-T57 PolarHBondContact O-N 3.14Å; I54-T57 PolarHBondContact O-OG1 3.29Å; I54-L58 HydrophobicContact CG2-CD1 4.24Å; I54-L58 HydrophobicContact CG2-CG 4.13Å
55G90.4Very high87.7Confident5 Ų558.1 Ų58.15%0.05231%0.306CS..BIsolated β-bridgetrans64.2-129.7-175.900000113.1M49 L51 H82M49-G55 WeakPolarHBondContact O-CA 3.3Å; L51-G55 PolarHBondContact N-O 3.17Å; L51-G55 WeakPolarHBondContact O-CA 3.41Å; L51-G55 PolarHBondContact O-N 3.04Å; G55-H82 WeakPolarHBondContact CA-O 3.43Å
56E92.3Very high87.2Confident9 Ų964.1 Ų64.14%0.04233%0.332CS..THydrogen-bonded Turntrans-109.313.6-179.5-53.7-169120.900111.8L58 Q59 L60 F67 K71 T81 H82 L83E56-L58 PolarHBondContact O-N 2.82Å; E56-Q59 WeakPolarHBondContact O-CB 3.13Å; E56-Q59 PolarHBondContact O-N 3.35Å; E56-Q59 VanDerWaalsContact O-N 3.13Å; E56-L60 PolarHBondContact O-N 2.89Å; E56-F67 HydrophobicContact CB-CE2 4.03Å; E56-F67 HydrophobicContact CB-CZ 3.67Å; E56-F67 HydrophobicContact CG-CZ 4.48Å; E56-K71 WeakPolarHBondContact OE1-CE 3.35Å; E56-K71 IonicContact OE1-NZ 3.92Å; E56-K71 PolarHBondContact OE1-NZ 3.28Å; E56-K71 VanDerWaalsContact OE2-CE 3.31Å; E56-K71 WeakPolarHBondContact OE2-CE 3.35Å; E56-K71 IonicContact OE2-NZ 3.05Å; E56-K71 PolarHBondContact OE2-NZ 2.82Å; E56-T81 PolarHBondContact OE2-OG1 3.43Å; E56-H82 PolarHBondContact N-O 3.22Å; E56-L83 HydrophobicContact CB-CD2 4.44Å
57T88.1Confident86.9Confident20 Ų2062.5 Ų62.512%0.12332%0.321CS..Hα-helixtrans-56.7-44.8-174.8-500000112.6I54 Q59 L60 V61 L83 F84I54-T57 WeakPolarHBondContact O-CB 3.29Å; I54-T57 PolarHBondContact O-N 3.14Å; I54-T57 PolarHBondContact O-OG1 3.29Å; T57-Q59 PolarHBondContact O-N 3.48Å; T57-L60 WeakPolarHBondContact O-CB 3.24Å; T57-L60 PolarHBondContact O-N 3.33Å; T57-V61 WeakPolarHBondContact O-CG2 3.12Å; T57-V61 PolarHBondContact O-N 3.27Å; T57-L83 WeakPolarHBondContact OG1-CA 3.35Å; T57-F84 HydrophobicContact CG2-CD1 3.6Å; T57-F84 HydrophobicContact CG2-CE1 3.74Å; T57-F84 HydrophobicContact CG2-CG 4.29Å; T57-F84 PolarHBondContact OG1-N 3.32Å
58L86.8Confident86.8Confident107 Ų10763 Ų6356%0.5632%0.319SS*.Hα-helixtrans-65.2-39.9178.7-68.1176.4000112I54 E56 L60 V61 L62I54-L58 HydrophobicContact CG2-CD1 4.24Å; I54-L58 HydrophobicContact CG2-CG 4.13Å; E56-L58 PolarHBondContact O-N 2.82Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L60 PolarHBondContact O-N 2.88Å; L58-V61 PolarHBondContact O-N 3.01Å; L58-L62 WeakPolarHBondContact O-CB 3.46Å; L58-L62 VanDerWaalsContact O-CG 3.28Å; L58-L62 WeakPolarHBondContact O-CG 3.27Å; L58-L62 PolarHBondContact O-N 3.47Å
59Q89.5Confident86.7Confident90 Ų9067 Ų6742%0.42133%0.327SS..Hα-helixtrans-64.2-41.7176.9-64.7177.2-5.900110.8E56 T57 Q63 F67E56-Q59 WeakPolarHBondContact O-CB 3.13Å; E56-Q59 PolarHBondContact O-N 3.35Å; E56-Q59 VanDerWaalsContact O-N 3.13Å; T57-Q59 PolarHBondContact O-N 3.48Å; Q59-Q63 VanDerWaalsContact O-CB 3.3Å; Q59-Q63 WeakPolarHBondContact O-CB 3.1Å; Q59-Q63 PolarHBondContact O-N 2.98Å; Q59-F67 HydrophobicContact CB-CD2 3.84Å; Q59-F67 HydrophobicContact CB-CE2 3.88Å
60L87.4Confident86.8Confident27 Ų2770.8 Ų70.814%0.14135%0.346CS..Hα-helixtrans-60.4-46.1173.5177.166.5000111.8E56 T57 L58 R64 F67 L68 L83 F84E56-L60 PolarHBondContact O-N 2.89Å; T57-L60 WeakPolarHBondContact O-CB 3.24Å; T57-L60 PolarHBondContact O-N 3.33Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L60 PolarHBondContact O-N 2.88Å; L60-R64 WeakPolarHBondContact O-CA 3.43Å; L60-R64 PolarHBondContact O-N 3.35Å; L60-F67 HydrophobicContact CB-CD1 4.06Å; L60-F67 HydrophobicContact CB-CE1 4.11Å; L60-F67 HydrophobicContact CD1-CD1 3.75Å; L60-F67 HydrophobicContact CD1-CE1 4.19Å; L60-L68 HydrophobicContact CD1-CD1 4.24Å; L60-L68 HydrophobicContact CD1-CD2 3.71Å; L60-L68 HydrophobicContact CD1-CG 3.86Å; L60-L83 HydrophobicContact CB-CD2 4.1Å; L60-L83 HydrophobicContact CD2-CD1 3.89Å; L60-L83 HydrophobicContact CD2-CD2 3.76Å; L60-L83 HydrophobicContact CD2-CG 4.4Å; L60-F84 HydrophobicContact CD2-CE2 4.13Å; L60-F84 HydrophobicContact CD2-CZ 4.02Å
61V83.1Confident87Confident71 Ų7170.4 Ų70.443%0.4334%0.337SS..Hα-helixtrans-65.3-41.5-178.61700000111.8T57 L58 R64T57-V61 WeakPolarHBondContact O-CG2 3.12Å; T57-V61 PolarHBondContact O-N 3.27Å; L58-V61 PolarHBondContact O-N 3.01Å; V61-R64 WeakPolarHBondContact O-CG 3.28Å; V61-R64 PolarHBondContact O-NE 3.01Å
62L84.6Confident87.3Confident142 Ų14266.3 Ų66.374%0.74331%0.313SS*.Hα-helixtrans-77.1-43.7-177.5-67.2172.2000112.6L58L58-L62 WeakPolarHBondContact O-CB 3.46Å; L58-L62 VanDerWaalsContact O-CG 3.28Å; L58-L62 WeakPolarHBondContact O-CG 3.27Å; L58-L62 PolarHBondContact O-N 3.47Å
63Q85.1Confident87.8Confident90 Ų9071.1 Ų71.142%0.42133%0.333SS..Hα-helixtrans-102.2-17.1-171.8-58.2-179.113.200114.1Q59 R65 K66 F67Q59-Q63 VanDerWaalsContact O-CB 3.3Å; Q59-Q63 WeakPolarHBondContact O-CB 3.1Å; Q59-Q63 PolarHBondContact O-N 2.98Å; Q63-R65 PolarHBondContact O-N 2.79Å; Q63-K66 WeakPolarHBondContact O-CB 3.37Å; Q63-K66 PolarHBondContact O-N 3.13Å; Q63-F67 HydrophobicContact CB-CB 3.83Å
64R84.2Confident88.7Confident86 Ų8673.3 Ų73.333%0.32534%0.342SS..THydrogen-bonded Turntrans50-119.7172.6-55.9-177.4-176.3-110.6-2.3113.5L60 V61 K66 F67 L68 T468L60-R64 WeakPolarHBondContact O-CA 3.43Å; L60-R64 PolarHBondContact O-N 3.35Å; V61-R64 WeakPolarHBondContact O-CG 3.28Å; V61-R64 PolarHBondContact O-NE 3.01Å; R64-K66 PolarHBondContact O-N 2.91Å; R64-F67 PolarHBondContact O-N 3.28Å; R64-L68 PolarHBondContact O-N 2.83Å; R64-T468 PolarHBondContact NH1-O 3.43Å
65R82.3Confident89.4Confident89 Ų8971.7 Ų71.734%0.33633%0.331SS..Hα-helixtrans-57.2-35-179-73.3-172.3177.8-164.4-3112.3Q63 L68 R69 T468 V472Q63-R65 PolarHBondContact O-N 2.79Å; R65-L68 PolarHBondContact O-N 2.9Å; R65-R69 WeakPolarHBondContact O-CB 3.31Å; R65-R69 PolarHBondContact O-N 2.77Å; R65-T468 PolarHBondContact NE-OG1 2.78Å; R65-T468 PolarHBondContact NH2-OG1 3.42Å; R65-V472 VanDerWaalsContact NH2-CG2 3.26Å
66K86.3Confident89.6Confident127 Ų12773 Ų7355%0.55234%0.344SS*.Hα-helixtrans-62.6-45.8178.6-175.6178.3177.7178.10111.3Q63 R64 R69 M70Q63-K66 WeakPolarHBondContact O-CB 3.37Å; Q63-K66 PolarHBondContact O-N 3.13Å; R64-K66 PolarHBondContact O-N 2.91Å; K66-R69 PolarHBondContact O-N 3.47Å; K66-M70 HydrophobicContact CG-SD 4.08Å; K66-M70 WeakPolarHBondContact O-CB 3.48Å; K66-M70 VanDerWaalsContact O-CG 3.3Å; K66-M70 WeakPolarHBondContact O-CG 3.48Å; K66-M70 PolarHBondContact O-N 2.91Å
67F89.6Confident89.7Confident6 Ų677.6 Ų77.63%0.02636%0.362CS..Hα-helixtrans-60.6-47.2176169.1-93.6000111.6E56 Q59 L60 Q63 R64 R69 M70 K71E56-F67 HydrophobicContact CB-CE2 4.03Å; E56-F67 HydrophobicContact CB-CZ 3.67Å; E56-F67 HydrophobicContact CG-CZ 4.48Å; Q59-F67 HydrophobicContact CB-CD2 3.84Å; Q59-F67 HydrophobicContact CB-CE2 3.88Å; L60-F67 HydrophobicContact CB-CD1 4.06Å; L60-F67 HydrophobicContact CB-CE1 4.11Å; L60-F67 HydrophobicContact CD1-CD1 3.75Å; L60-F67 HydrophobicContact CD1-CE1 4.19Å; Q63-F67 HydrophobicContact CB-CB 3.83Å; R64-F67 PolarHBondContact O-N 3.28Å; F67-R69 PolarHBondContact O-N 3.28Å; F67-M70 PolarHBondContact O-N 3.45Å; F67-K71 HydrophobicContact CD1-CG 4.42Å; F67-K71 HydrophobicContact CD2-CG 4.37Å; F67-K71 HydrophobicContact CE1-CG 4.11Å; F67-K71 HydrophobicContact CE2-CD 4.38Å; F67-K71 VanDerWaalsContact CE2-CE 3.41Å; F67-K71 HydrophobicContact CE2-CG 4.07Å; F67-K71 HydrophobicContact CZ-CD 4.32Å; F67-K71 HydrophobicContact CZ-CG 3.93Å; F67-K71 WeakPolarHBondContact O-CB 3.35Å; F67-K71 VanDerWaalsContact O-CG 3.25Å; F67-K71 WeakPolarHBondContact O-CG 3.26Å; F67-K71 PolarHBondContact O-N 3.11Å
68L89.9Confident90.1Very high26 Ų2676.9 Ų76.914%0.13636%0.357CS..Hα-helixtrans-62.4-41.8180-65176.6000112.3L60 R64 R65 K71 R72L60-L68 HydrophobicContact CD1-CD1 4.24Å; L60-L68 HydrophobicContact CD1-CD2 3.71Å; L60-L68 HydrophobicContact CD1-CG 3.86Å; R64-L68 PolarHBondContact O-N 2.83Å; R65-L68 PolarHBondContact O-N 2.9Å; L68-K71 PolarHBondContact O-N 3.11Å; L68-R72 WeakPolarHBondContact O-CB 3.31Å; L68-R72 PolarHBondContact O-N 3.47Å
69R90.1Very high90.6Very high132 Ų13271.9 Ų71.950%0.49833%0.331SS..Hα-helixtrans-63.5-50.9176-177.3172.969.7-167.53.5111.6R65 K66 F67 K71 R72 E73R65-R69 WeakPolarHBondContact O-CB 3.31Å; R65-R69 PolarHBondContact O-N 2.77Å; K66-R69 PolarHBondContact O-N 3.47Å; F67-R69 PolarHBondContact O-N 3.28Å; R69-K71 VanDerWaalsContact C-N 3.26Å; R69-K71 PolarHBondContact O-N 2.66Å; R69-R72 PolarHBondContact O-N 3.3Å; R69-R72 VanDerWaalsContact O-N 3.12Å; R69-E73 WeakPolarHBondContact CD-OE1 3.48Å; R69-E73 HydrophobicContact CG-CG 4.37Å; R69-E73 WeakPolarHBondContact CG-OE1 3.39Å; R69-E73 IonicContact NE-OE1 3.99Å; R69-E73 WeakPolarHBondContact O-CG 3.45Å; R69-E73 PolarHBondContact O-N 3.34Å
70M93.1Very high90.9Very high98 Ų9870.5 Ų70.548%0.48332%0.322SS..Hα-helixtrans-57.5-39.5178-73.7175.662.500112.4K66 F67 K74K66-M70 HydrophobicContact CG-SD 4.08Å; K66-M70 WeakPolarHBondContact O-CB 3.48Å; K66-M70 VanDerWaalsContact O-CG 3.3Å; K66-M70 WeakPolarHBondContact O-CG 3.48Å; K66-M70 PolarHBondContact O-N 2.91Å; F67-M70 PolarHBondContact O-N 3.45Å; M70-K74 WeakPolarHBondContact O-CB 3.46Å; M70-K74 PolarHBondContact O-N 2.97Å; M70-K74 VanDerWaalsContact O-N 3.07Å
71K94.4Very high91.2Very high21 Ų2169.2 Ų69.29%0.09132%0.315CS..Hα-helixtrans-67.1-43177-71.8-73.4180162.60112.2E56 F67 L68 R69 K74 Y75 Y79E56-K71 WeakPolarHBondContact OE1-CE 3.35Å; E56-K71 IonicContact OE1-NZ 3.92Å; E56-K71 PolarHBondContact OE1-NZ 3.28Å; E56-K71 VanDerWaalsContact OE2-CE 3.31Å; E56-K71 WeakPolarHBondContact OE2-CE 3.35Å; E56-K71 IonicContact OE2-NZ 3.05Å; E56-K71 PolarHBondContact OE2-NZ 2.82Å; F67-K71 HydrophobicContact CD1-CG 4.42Å; F67-K71 HydrophobicContact CD2-CG 4.37Å; F67-K71 HydrophobicContact CE1-CG 4.11Å; F67-K71 HydrophobicContact CE2-CD 4.38Å; F67-K71 VanDerWaalsContact CE2-CE 3.41Å; F67-K71 HydrophobicContact CE2-CG 4.07Å; F67-K71 HydrophobicContact CZ-CD 4.32Å; F67-K71 HydrophobicContact CZ-CG 3.93Å; F67-K71 WeakPolarHBondContact O-CB 3.35Å; F67-K71 VanDerWaalsContact O-CG 3.25Å; F67-K71 WeakPolarHBondContact O-CG 3.26Å; F67-K71 PolarHBondContact O-N 3.11Å; L68-K71 PolarHBondContact O-N 3.11Å; R69-K71 VanDerWaalsContact C-N 3.26Å; R69-K71 PolarHBondContact O-N 2.66Å; K71-K74 PolarHBondContact O-N 3.48Å; K71-Y75 HydrophobicContact CD-CD2 3.91Å; K71-Y75 HydrophobicContact CD-CE2 3.64Å; K71-Y75 WeakPolarHBondContact O-CB 3.31Å; K71-Y75 WeakPolarHBondContact O-CD2 3.32Å; K71-Y75 PolarHBondContact O-N 2.78Å; K71-Y79 HydrophobicContact CB-CD2 4.41Å; K71-Y79 HydrophobicContact CB-CE1 4.04Å; K71-Y79 HydrophobicContact CB-CE2 3.77Å; K71-Y79 HydrophobicContact CG-CE2 4.26Å
72R93.8Very high91.6Very high23 Ų2366.1 Ų66.19%0.08730%0.296CS..Hα-helixtrans-63.3-45.4176.1-178.5177.865.6-109.613.5111.5L68 R69 K74 G76 Y77 D392 D395L68-R72 WeakPolarHBondContact O-CB 3.31Å; L68-R72 PolarHBondContact O-N 3.47Å; R69-R72 PolarHBondContact O-N 3.3Å; R69-R72 VanDerWaalsContact O-N 3.12Å; R72-K74 VanDerWaalsContact C-N 3.27Å; R72-K74 PolarHBondContact O-N 2.74Å; R72-G76 VanDerWaalsContact O-CA 3.23Å; R72-G76 WeakPolarHBondContact O-CA 3.35Å; R72-G76 PolarHBondContact O-N 3.5Å; R72-Y77 HydrophobicContact CG-CD1 4.41Å; R72-D392 IonicContact CZ-OD1 3.58Å; R72-D392 IonicContact NH1-OD1 3.32Å; R72-D392 PolarHBondContact NH1-OD1 3.41Å; R72-D392 IonicContact NH1-OD2 2.79Å; R72-D392 PolarHBondContact NH1-OD2 3.19Å; R72-D395 IonicContact CZ-OD2 3.56Å; R72-D395 IonicContact NH2-OD2 3.69Å; R72-D395 PolarHBondContact NH2-OD2 2.84Å
73E93.7Very high91.8Very high136 Ų13659.4 Ų59.464%0.63626%0.261SS*.Hα-helixtrans-60.3-37.9176.8-73166.9-179.300111.7R69R69-E73 WeakPolarHBondContact CD-OE1 3.48Å; R69-E73 HydrophobicContact CG-CG 4.37Å; R69-E73 WeakPolarHBondContact CG-OE1 3.39Å; R69-E73 IonicContact NE-OE1 3.99Å; R69-E73 WeakPolarHBondContact O-CG 3.45Å; R69-E73 PolarHBondContact O-N 3.34Å
74K96.1Very high91.6Very high149 Ų14960 Ų6065%0.64826%0.262SS*.Hα-helixtrans-78.8-39.4-179.2-174.6172.6-179.3177.50114.3M70 K71 R72M70-K74 WeakPolarHBondContact O-CB 3.46Å; M70-K74 PolarHBondContact O-N 2.97Å; M70-K74 VanDerWaalsContact O-N 3.07Å; K71-K74 PolarHBondContact O-N 3.48Å; R72-K74 VanDerWaalsContact C-N 3.27Å; R72-K74 PolarHBondContact O-N 2.74Å
75Y95.8Very high91.5Very high52 Ų5258.1 Ų58.120%0.20427%0.269CS..Hα-helixtrans-117-5.4-167.8-59.6-59.7000114.1P46 K71P46-Y75 HydrophobicContact CB-CD1 4.03Å; P46-Y75 WeakPolarHBondContact CG-O 3.4Å; K71-Y75 HydrophobicContact CD-CD2 3.91Å; K71-Y75 HydrophobicContact CD-CE2 3.64Å; K71-Y75 WeakPolarHBondContact O-CB 3.31Å; K71-Y75 WeakPolarHBondContact O-CD2 3.32Å; K71-Y75 PolarHBondContact O-N 2.78Å
76G94.8Very high91.8Very high31 Ų3157.4 Ų57.432%0.3227%0.272SS..  trans83.3-158.6-178.100000113.8R72 I78R72-G76 VanDerWaalsContact O-CA 3.23Å; R72-G76 WeakPolarHBondContact O-CA 3.35Å; R72-G76 PolarHBondContact O-N 3.5Å; G76-I78 PolarHBondContact O-N 2.96Å
77Y95.3Very high92Very high107 Ų10752 Ų5242%0.4225%0.25SS..SBendtrans-79.5-13.8-170.7-60.2-32.3000115.3R72 S92 V396R72-Y77 HydrophobicContact CG-CD1 4.41Å; Y77-S92 PolarHBondContact O-N 3.34Å; Y77-S92 PolarHBondContact O-OG 3Å; Y77-V396 HydrophobicContact CD1-CG2 4.34Å; Y77-V396 HydrophobicContact CE1-CB 3.96Å; Y77-V396 HydrophobicContact CE1-CG1 4Å; Y77-V396 HydrophobicContact CE1-CG2 3.72Å
78I97.1Very high92.2Very high4 Ų451.8 Ų51.82%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-133.6117.6177.4-53.8175.6000107.6P45 G76 V89 R90 L375 N376 Y378 I380P45-I78 HydrophobicContact CB-CG2 4.01Å; P45-I78 HydrophobicContact CG-CG2 3.94Å; G76-I78 PolarHBondContact O-N 2.96Å; I78-V89 HydrophobicContact CG2-CG1 3.66Å; I78-R90 WeakPolarHBondContact CA-O 3.33Å; I78-L375 HydrophobicContact CD1-CB 4.47Å; I78-L375 HydrophobicContact CD1-CD2 3.88Å; I78-L375 HydrophobicContact CD1-CG 3.78Å; I78-N376 HydrophobicContact CD1-CB 3.66Å; I78-Y378 HydrophobicContact CB-CD2 4.32Å; I78-Y378 HydrophobicContact CD1-CD2 4.43Å; I78-Y378 HydrophobicContact CG2-CD2 4.39Å; I78-I380 HydrophobicContact CG2-CD1 4.47Å
79Y96.6Very high92.6Very high3 Ų350.5 Ų50.51%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-146.2151.117867.4-94.7000112.5P46 K71 T81 V89 R90P46-Y79 CarbonylContact O-C 3.47Å; P46-Y79 WeakPolarHBondContact O-CA 3.29Å; P46-Y79 WeakPolarHBondContact O-CB 3.45Å; K71-Y79 HydrophobicContact CB-CD2 4.41Å; K71-Y79 HydrophobicContact CB-CE1 4.04Å; K71-Y79 HydrophobicContact CB-CE2 3.77Å; K71-Y79 HydrophobicContact CG-CE2 4.26Å; Y79-T81 HydrophobicContact CE2-CG2 4.3Å; Y79-V89 CarbonylContact O-C 3.5Å; Y79-V89 WeakPolarHBondContact O-CA 3.29Å; Y79-R90 HydrophobicContact CD1-CB 4.01Å; Y79-R90 HydrophobicContact CD2-CB 4.08Å; Y79-R90 HydrophobicContact CD2-CG 4.46Å; Y79-R90 HydrophobicContact CE1-CB 3.58Å; Y79-R90 HydrophobicContact CE1-CG 4.3Å; Y79-R90 HydrophobicContact CE2-CB 3.64Å; Y79-R90 HydrophobicContact CE2-CG 3.67Å; Y79-R90 HydrophobicContact CG-CB 4.25Å; Y79-R90 PolarHBondContact N-O 3.02Å; Y79-R90 VanDerWaalsContact N-O 3.13Å; Y79-R90 PolarHBondContact O-N 2.95Å; Y79-R90 PolarHBondContact OH-NE 3.38Å
80R95.2Very high92.9Very high60 Ų6044.9 Ų44.923%0.22622%0.221CC..EExtended strand (participates in β ladder)trans-91.5147.8175.270.8-175.5-176.4172-2111.9P45 P46 G47 S48 M49 T88 W384P45-R80 HydrophobicContact CB-CB 4.4Å; P45-R80 WeakPolarHBondContact O-CD 3.48Å; P45-R80 VanDerWaalsContact O-CG 3.29Å; P45-R80 WeakPolarHBondContact O-CG 3.3Å; P45-R80 PolarHBondContact O-NE 3.36Å; P46-R80 PolarHBondContact O-N 3.01Å; G47-R80 WeakPolarHBondContact CA-O 3.31Å; G47-R80 PolarHBondContact O-NE 3.33Å; S48-R80 PolarHBondContact N-O 3.09Å; M49-R80 HydrophobicContact CE-CB 4.2Å; M49-R80 HydrophobicContact CE-CG 4.12Å; M49-R80 HydrophobicContact SD-CG 4.47Å; R80-T88 CarbonylContact C-O 3.47Å; R80-T88 WeakPolarHBondContact CA-O 3.26Å; R80-W384 HydrophobicContact CB-CZ3 3.91Å
81T94.1Very high93.1Very high0 Ų040.2 Ų40.20%020%0.199CC..EExtended strand (participates in β ladder)trans-154179.1171.9-176.20000109.5S48 E56 Y79 L83 T88 R90S48-T81 VanDerWaalsContact O-CA 3.31Å; S48-T81 WeakPolarHBondContact O-CA 3.42Å; E56-T81 PolarHBondContact OE2-OG1 3.43Å; Y79-T81 HydrophobicContact CE2-CG2 4.3Å; T81-L83 HydrophobicContact CG2-CD1 3.71Å; T81-L83 HydrophobicContact CG2-CG 3.73Å; T81-T88 HydrophobicContact CG2-CG2 4.47Å; T81-T88 PolarHBondContact N-O 3.4Å; T81-T88 PolarHBondContact O-N 3.45Å; T81-R90 HydrophobicContact CG2-CG 4.32Å
82H91.6Very high93.2Very high6 Ų639.3 Ų39.33%0.02820%0.195CC..EExtended strand (participates in β ladder)trans-124.1113.6173.6-173-85.1000108.6M32 M49 F53 G55 E56 G85 N86M32-H82 HydrophobicContact CE-CB 4.41Å; M49-H82 HydrophobicContact CB-CB 4.35Å; M49-H82 VanDerWaalsContact O-CB 3.25Å; M49-H82 WeakPolarHBondContact O-CB 3.24Å; M49-H82 HydrophobicContact SD-CB 4.22Å; F53-H82 PolarHBondContact O-CE1 3.23Å; G55-H82 WeakPolarHBondContact CA-O 3.43Å; E56-H82 PolarHBondContact N-O 3.22Å; H82-G85 PolarHBondContact NE2-O 2.92Å; H82-N86 WeakPolarHBondContact CA-O 3.45Å; H82-N86 VanDerWaalsContact CD2-C 3.45Å; H82-N86 PolarHBondContact NE2-N 3.44Å
83L88.3Confident93.2Very high2 Ų238.6 Ų38.61%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-131.1137.2-173.8-65.2175.8000109.8E56 T57 L60 T81 G85 N86 T88 I387E56-L83 HydrophobicContact CB-CD2 4.44Å; T57-L83 WeakPolarHBondContact OG1-CA 3.35Å; L60-L83 HydrophobicContact CB-CD2 4.1Å; L60-L83 HydrophobicContact CD2-CD1 3.89Å; L60-L83 HydrophobicContact CD2-CD2 3.76Å; L60-L83 HydrophobicContact CD2-CG 4.4Å; T81-L83 HydrophobicContact CG2-CD1 3.71Å; T81-L83 HydrophobicContact CG2-CG 3.73Å; L83-G85 PolarHBondContact O-N 3.45Å; L83-N86 PolarHBondContact N-O 3.29Å; L83-N86 PolarHBondContact O-N 3.29Å; L83-T88 HydrophobicContact CD1-CG2 4.31Å; L83-I387 HydrophobicContact CD1-CD1 4.23Å
84F82.4Confident93.1Very high103 Ų10333.2 Ų33.245%0.45217%0.173SC..THydrogen-bonded Turntrans5242.8176.6-47.9-72.5000112.6T57 L60 N86T57-F84 HydrophobicContact CG2-CD1 3.6Å; T57-F84 HydrophobicContact CG2-CE1 3.74Å; T57-F84 HydrophobicContact CG2-CG 4.29Å; T57-F84 PolarHBondContact OG1-N 3.32Å; L60-F84 HydrophobicContact CD2-CE2 4.13Å; L60-F84 HydrophobicContact CD2-CZ 4.02Å; F84-N86 VanDerWaalsContact C-N 3.31Å; F84-N86 PolarHBondContact O-N 2.87Å; F84-N86 PolarHBondContact O-ND2 3.37Å
85G81.8Confident93Very high46 Ų4631 Ų3147%0.47417%0.165SC..THydrogen-bonded Turntrans78.46.4178.200000115.6H82 L83H82-G85 PolarHBondContact NE2-O 2.92Å; L83-G85 PolarHBondContact O-N 3.45Å
86N87.1Confident93Very high74 Ų7429.2 Ų29.240%0.39616%0.159SC..EExtended strand (participates in β ladder)trans-132.9141.1-173-67.8-84.2000112.9H82 L83 F84 T88 N385H82-N86 WeakPolarHBondContact CA-O 3.45Å; H82-N86 VanDerWaalsContact CD2-C 3.45Å; H82-N86 PolarHBondContact NE2-N 3.44Å; L83-N86 PolarHBondContact N-O 3.29Å; L83-N86 PolarHBondContact O-N 3.29Å; F84-N86 VanDerWaalsContact C-N 3.31Å; F84-N86 PolarHBondContact O-N 2.87Å; F84-N86 PolarHBondContact O-ND2 3.37Å; N86-T88 PolarHBondContact O-N 2.82Å; N86-T88 PolarHBondContact O-OG1 3.06Å; N86-N385 VanDerWaalsContact CB-ND2 3.25Å; N86-N385 WeakPolarHBondContact CB-ND2 2.94Å
87P92.4Very high93Very high13 Ų1327.7 Ų27.78%0.08414%0.144CC..EExtended strand (participates in β ladder)trans-55.6129.1165-19.129.8000110.2M32 W384 N385M32-P87 HydrophobicContact CE-CB 4.11Å; M32-P87 HydrophobicContact CE-CG 3.9Å; M32-P87 HydrophobicContact SD-CG 3.85Å; P87-W384 HydrophobicContact CB-CD2 3.55Å; P87-W384 HydrophobicContact CB-CE3 3.88Å; P87-W384 HydrophobicContact CB-CG 3.94Å; P87-W384 HydrophobicContact CB-CH2 4.42Å; P87-W384 HydrophobicContact CB-CZ2 4.09Å; P87-W384 HydrophobicContact CB-CZ3 4.32Å; P87-N385 PolarHBondContact O-N 2.92Å
88T93.9Very high93Very high1 Ų126.4 Ų26.41%0.00614%0.138CC..EExtended strand (participates in β ladder)trans-137132-170.9-600000110.8R80 T81 L83 N86 N385 I387R80-T88 CarbonylContact C-O 3.47Å; R80-T88 WeakPolarHBondContact CA-O 3.26Å; T81-T88 HydrophobicContact CG2-CG2 4.47Å; T81-T88 PolarHBondContact N-O 3.4Å; T81-T88 PolarHBondContact O-N 3.45Å; L83-T88 HydrophobicContact CD1-CG2 4.31Å; N86-T88 PolarHBondContact O-N 2.82Å; N86-T88 PolarHBondContact O-OG1 3.06Å; T88-N385 CarbonylContact C-O 3.47Å; T88-N385 VanDerWaalsContact CA-O 3.32Å; T88-N385 WeakPolarHBondContact CA-O 3.41Å; T88-N385 HydrophobicContact CG2-CB 4.07Å; T88-I387 HydrophobicContact CG2-CB 4.44Å; T88-I387 HydrophobicContact CG2-CD1 3.66Å; T88-I387 HydrophobicContact CG2-CG1 3.73Å
89V96.6Very high92.9Very high0 Ų029.1 Ų29.10%015%0.151CC..EExtended strand (participates in β ladder)trans-100125.2166.1-1720000109.4P45 I78 Y79 V91 I380 W384 N385 V386 I387P45-V89 HydrophobicContact CG-CG1 4Å; P45-V89 HydrophobicContact CG-CG2 4.26Å; I78-V89 HydrophobicContact CG2-CG1 3.66Å; Y79-V89 CarbonylContact O-C 3.5Å; Y79-V89 WeakPolarHBondContact O-CA 3.29Å; V89-V91 HydrophobicContact CG1-CG2 4Å; V89-I380 HydrophobicContact CB-CD1 4.28Å; V89-I380 HydrophobicContact CG1-CD1 3.83Å; V89-I380 HydrophobicContact CG2-CD1 4.05Å; V89-I380 HydrophobicContact CG2-CG2 4.4Å; V89-W384 HydrophobicContact CG2-CE3 3.71Å; V89-W384 HydrophobicContact CG2-CZ3 4.18Å; V89-N385 PolarHBondContact N-O 2.87Å; V89-V386 CarbonylContact O-C 3.48Å; V89-V386 WeakPolarHBondContact O-CA 3.49Å; V89-I387 PolarHBondContact O-N 3.38Å
90R96.6Very high92.9Very high13 Ų1329 Ų295%0.04915%0.15CC..EExtended strand (participates in β ladder)trans-89.1132.2169.5-77.4-79.2-67.1162.13.5108.9I78 Y79 T81 I387 S389 D392I78-R90 WeakPolarHBondContact CA-O 3.33Å; Y79-R90 HydrophobicContact CD1-CB 4.01Å; Y79-R90 HydrophobicContact CD2-CB 4.08Å; Y79-R90 HydrophobicContact CD2-CG 4.46Å; Y79-R90 HydrophobicContact CE1-CB 3.58Å; Y79-R90 HydrophobicContact CE1-CG 4.3Å; Y79-R90 HydrophobicContact CE2-CB 3.64Å; Y79-R90 HydrophobicContact CE2-CG 3.67Å; Y79-R90 HydrophobicContact CG-CB 4.25Å; Y79-R90 PolarHBondContact N-O 3.02Å; Y79-R90 VanDerWaalsContact N-O 3.13Å; Y79-R90 PolarHBondContact O-N 2.95Å; Y79-R90 PolarHBondContact OH-NE 3.38Å; T81-R90 HydrophobicContact CG2-CG 4.32Å; R90-I387 WeakPolarHBondContact CA-O 3.33Å; R90-I387 VanDerWaalsContact NH1-CG2 3.26Å; R90-S389 VanDerWaalsContact NH2-CB 3.33Å; R90-S389 PolarHBondContact NH2-OG 3.29Å; R90-D392 IonicContact CZ-OD2 2.79Å; R90-D392 IonicContact NH2-OD2 2.73Å; R90-D392 PolarHBondContact NH2-OD2 2.97Å
91V97.3Very high92.9Very high1 Ų126.2 Ų26.21%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-128.8127.4-176.2-177.70000110V89 N96 I97 I100 L375 V386 I387 Y388 S389V89-V91 HydrophobicContact CG1-CG2 4Å; V91-N96 HydrophobicContact CG1-CB 3.49Å; V91-N96 VanDerWaalsContact CG1-CB 3.49Å; V91-I97 HydrophobicContact CG1-CG2 4.38Å; V91-I100 HydrophobicContact CG1-CG1 4.12Å; V91-I100 HydrophobicContact CG2-CG1 4.49Å; V91-L375 HydrophobicContact CG1-CD2 3.93Å; V91-L375 HydrophobicContact CG2-CD2 3.92Å; V91-V386 HydrophobicContact CG2-CG1 3.77Å; V91-I387 PolarHBondContact N-O 2.91Å; V91-Y388 CarbonylContact O-C 3.6Å; V91-Y388 VanDerWaalsContact O-CA 3.23Å; V91-Y388 WeakPolarHBondContact O-CA 3.41Å; V91-S389 PolarHBondContact O-N 3.42Å
92S95.9Very high93Very high2 Ų230.5 Ų30.51%0.01416%0.162CC..  trans-137.3172.3172.860.80000111.1Y77 N96Y77-S92 PolarHBondContact O-N 3.34Å; Y77-S92 PolarHBondContact O-OG 3Å; S92-N96 WeakPolarHBondContact O-CB 3.43Å; S92-N96 PolarHBondContact O-ND2 3.04Å
93G93.9Very high93.2Very high8 Ų830.2 Ų30.28%0.08216%0.161CC..SBendtrans89139.2-178.500000111.3E95 N96 I97 T393G93-E95 PolarHBondContact O-N 3.41Å; G93-N96 PolarHBondContact O-N 3.4Å; G93-I97 WeakPolarHBondContact O-CG1 3.3Å; G93-I97 PolarHBondContact O-N 2.94Å; G93-T393 PolarHBondContact N-OG1 2.84Å
94A92.6Very high93.5Very high23 Ų2330.9 Ų30.919%0.1916%0.164CC..Hα-helixtrans-49.6-54-168.700000114.1N96 I97 R98 R421 Q423A94-N96 PolarHBondContact O-N 2.94Å; A94-I97 VanDerWaalsContact O-CG1 3.28Å; A94-I97 WeakPolarHBondContact O-CG1 3.28Å; A94-I97 PolarHBondContact O-N 3.36Å; A94-R98 VanDerWaalsContact O-CB 3.23Å; A94-R98 WeakPolarHBondContact O-CB 3.16Å; A94-R98 PolarHBondContact O-N 3.07Å; A94-R421 WeakPolarHBondContact CB-O 3.45Å; A94-Q423 HydrophobicContact CB-CB 4.47Å; A94-Q423 HydrophobicContact CB-CG 3.64Å
95E93.1Very high93.9Very high103 Ų10329.5 Ų29.548%0.48116%0.159SC..Hα-helixtrans-67.3-38.6-176.1-174.852.9-150.600112.3G93 R98 H99G93-E95 PolarHBondContact O-N 3.41Å; E95-R98 WeakPolarHBondContact O-CB 3.34Å; E95-R98 PolarHBondContact O-N 2.85Å; E95-R98 IonicContact OE1-CZ 3.23Å; E95-R98 VanDerWaalsContact OE1-CZ 3.32Å; E95-R98 IonicContact OE1-NE 2.79Å; E95-R98 PolarHBondContact OE1-NE 3.12Å; E95-R98 IonicContact OE1-NH2 3.32Å; E95-R98 PolarHBondContact OE1-NH2 3.39Å; E95-R98 IonicContact OE2-CZ 3.6Å; E95-R98 IonicContact OE2-NE 3.61Å; E95-R98 PolarHBondContact OE2-NE 3.19Å; E95-R98 IonicContact OE2-NH2 3.57Å; E95-H99 PolarHBondContact O-N 2.85Å
96N95.6Very high94.5Very high13 Ų1335 Ų357%0.0717%0.165CC..Hα-helixtrans-66.9-47.3178.7-58.2-39.5000111.1V91 S92 G93 A94 R98 H99 I100V91-N96 HydrophobicContact CG1-CB 3.49Å; V91-N96 VanDerWaalsContact CG1-CB 3.49Å; S92-N96 WeakPolarHBondContact O-CB 3.43Å; S92-N96 PolarHBondContact O-ND2 3.04Å; G93-N96 PolarHBondContact O-N 3.4Å; A94-N96 PolarHBondContact O-N 2.94Å; N96-R98 VanDerWaalsContact C-N 3.3Å; N96-R98 PolarHBondContact O-N 3.22Å; N96-H99 PolarHBondContact O-N 3.04Å; N96-I100 WeakPolarHBondContact O-CG1 3.42Å; N96-I100 PolarHBondContact O-N 3.43Å; N96-I100 VanDerWaalsContact O-N 3.12Å
97I95.5Very high95Very high0 Ų031.9 Ų31.90%015%0.149CC..Hα-helixtrans-68.4-32.3178.869.7158.8000111.5V91 G93 A94 H99 I100 L101 T393 F422 V425V91-I97 HydrophobicContact CG1-CG2 4.38Å; G93-I97 WeakPolarHBondContact O-CG1 3.3Å; G93-I97 PolarHBondContact O-N 2.94Å; A94-I97 VanDerWaalsContact O-CG1 3.28Å; A94-I97 WeakPolarHBondContact O-CG1 3.28Å; A94-I97 PolarHBondContact O-N 3.36Å; I97-H99 VanDerWaalsContact C-N 3.34Å; I97-I100 PolarHBondContact O-N 3.42Å; I97-L101 HydrophobicContact CD1-CD1 4.45Å; I97-L101 VanDerWaalsContact O-CB 3.27Å; I97-L101 WeakPolarHBondContact O-CB 3.18Å; I97-L101 VanDerWaalsContact O-CG 3.23Å; I97-L101 WeakPolarHBondContact O-CG 3.26Å; I97-L101 PolarHBondContact O-N 3.36Å; I97-T393 HydrophobicContact CD1-CG2 3.75Å; I97-T393 HydrophobicContact CG1-CG2 4.26Å; I97-F422 HydrophobicContact CD1-CB 4.28Å; I97-F422 HydrophobicContact CD1-CD1 4.48Å; I97-F422 HydrophobicContact CG1-CB 4.14Å; I97-F422 HydrophobicContact CG1-CD1 4.43Å; I97-V425 HydrophobicContact CD1-CB 4.42Å; I97-V425 HydrophobicContact CD1-CG1 4.25Å; I97-V425 HydrophobicContact CD1-CG2 3.43Å; I97-V425 VanDerWaalsContact CD1-CG2 3.43Å
98R94.9Very high95.2Very high80 Ų8031.3 Ų31.330%0.30215%0.145SC..Hα-helixtrans-57.8-49.1172.5-179.218086.477.84.2110.3A94 E95 N96 I100 L101 L102 F422A94-R98 VanDerWaalsContact O-CB 3.23Å; A94-R98 WeakPolarHBondContact O-CB 3.16Å; A94-R98 PolarHBondContact O-N 3.07Å; E95-R98 WeakPolarHBondContact O-CB 3.34Å; E95-R98 PolarHBondContact O-N 2.85Å; E95-R98 IonicContact OE1-CZ 3.23Å; E95-R98 VanDerWaalsContact OE1-CZ 3.32Å; E95-R98 IonicContact OE1-NE 2.79Å; E95-R98 PolarHBondContact OE1-NE 3.12Å; E95-R98 IonicContact OE1-NH2 3.32Å; E95-R98 PolarHBondContact OE1-NH2 3.39Å; E95-R98 IonicContact OE2-CZ 3.6Å; E95-R98 IonicContact OE2-NE 3.61Å; E95-R98 PolarHBondContact OE2-NE 3.19Å; E95-R98 IonicContact OE2-NH2 3.57Å; N96-R98 VanDerWaalsContact C-N 3.3Å; N96-R98 PolarHBondContact O-N 3.22Å; R98-I100 PolarHBondContact O-N 2.87Å; R98-L101 PolarHBondContact O-N 3.3Å; R98-L102 HydrophobicContact CG-CD1 3.71Å; R98-L102 HydrophobicContact CG-CG 4.31Å; R98-L102 VanDerWaalsContact O-CB 3.3Å; R98-L102 WeakPolarHBondContact O-CB 3.01Å; R98-L102 WeakPolarHBondContact O-CG 3.47Å; R98-L102 PolarHBondContact O-N 3.43Å; R98-F422 HydrophobicContact CB-CB 3.95Å; R98-F422 HydrophobicContact CB-CD1 4.06Å; R98-F422 HydrophobicContact CB-CD2 3.64Å; R98-F422 HydrophobicContact CB-CE1 4.49Å; R98-F422 HydrophobicContact CB-CE2 4.14Å; R98-F422 HydrophobicContact CB-CG 3.61Å; R98-F422 HydrophobicContact CG-CD1 4.48Å; R98-F422 HydrophobicContact CG-CD2 3.41Å; R98-F422 VanDerWaalsContact CG-CD2 3.41Å; R98-F422 HydrophobicContact CG-CE2 3.54Å; R98-F422 HydrophobicContact CG-CG 3.94Å; R98-F422 HydrophobicContact CG-CZ 4.12Å
99H95.7Very high95.3Very high61 Ų6131.9 Ų31.928%0.28215%0.149SC..Hα-helixtrans-59.6-44.8178.5-165.193.3000112.1E95 N96 I97 G103 L107 L375E95-H99 PolarHBondContact O-N 2.85Å; N96-H99 PolarHBondContact O-N 3.04Å; I97-H99 VanDerWaalsContact C-N 3.34Å; H99-G103 WeakPolarHBondContact O-CA 3.37Å; H99-G103 PolarHBondContact O-N 3.12Å; H99-L107 WeakPolarHBondContact NE2-CD1 3.49Å; H99-L375 HydrophobicContact CB-CD1 3.73Å
100I96.9Very high95.2Very high0 Ų032 Ų320%015%0.15CC..Hα-helixtrans-64.6-50.4177.2-64.3-50.9000111.7V91 N96 I97 R98 G103 V108 R367 F373 L375 V386V91-I100 HydrophobicContact CG1-CG1 4.12Å; V91-I100 HydrophobicContact CG2-CG1 4.49Å; N96-I100 WeakPolarHBondContact O-CG1 3.42Å; N96-I100 PolarHBondContact O-N 3.43Å; N96-I100 VanDerWaalsContact O-N 3.12Å; I97-I100 PolarHBondContact O-N 3.42Å; R98-I100 PolarHBondContact O-N 2.87Å; I100-G103 PolarHBondContact O-N 3.48Å; I100-G103 VanDerWaalsContact O-N 3.17Å; I100-V108 HydrophobicContact CD1-CG1 4.35Å; I100-V108 HydrophobicContact CG2-CG2 4.14Å; I100-V108 VanDerWaalsContact O-CG2 3.25Å; I100-V108 WeakPolarHBondContact O-CG2 3.34Å; I100-R367 HydrophobicContact CG2-CG 4.16Å; I100-F373 HydrophobicContact CD1-CE2 3.82Å; I100-F373 HydrophobicContact CD1-CZ 3.7Å; I100-L375 HydrophobicContact CD1-CD2 3.94Å; I100-L375 HydrophobicContact CG1-CD2 4.23Å; I100-V386 HydrophobicContact CD1-CG1 4.04Å; I100-V386 HydrophobicContact CG1-CG1 4.19Å; I100-V386 HydrophobicContact CG2-CG1 4.21Å
101L95.7Very high94.8Very high2 Ų234.8 Ų34.81%0.0116%0.163CC..Hα-helixtrans-70.7-35.9-173.6-69.8174.3000113.1I97 R98 G103 Y388 F422I97-L101 HydrophobicContact CD1-CD1 4.45Å; I97-L101 VanDerWaalsContact O-CB 3.27Å; I97-L101 WeakPolarHBondContact O-CB 3.18Å; I97-L101 VanDerWaalsContact O-CG 3.23Å; I97-L101 WeakPolarHBondContact O-CG 3.26Å; I97-L101 PolarHBondContact O-N 3.36Å; R98-L101 PolarHBondContact O-N 3.3Å; L101-G103 VanDerWaalsContact C-N 3.29Å; L101-Y388 HydrophobicContact CD1-CD2 4.45Å; L101-Y388 HydrophobicContact CD1-CE2 4.3Å; L101-Y388 HydrophobicContact CD2-CD1 4.07Å; L101-Y388 HydrophobicContact CD2-CD2 4.33Å; L101-Y388 HydrophobicContact CD2-CE1 3.69Å; L101-Y388 HydrophobicContact CD2-CE2 3.97Å; L101-Y388 HydrophobicContact CD2-CG 4.38Å; L101-F422 HydrophobicContact CB-CE1 3.86Å; L101-F422 HydrophobicContact CD1-CD1 3.87Å; L101-F422 HydrophobicContact CD1-CE1 3.77Å; L101-F422 HydrophobicContact CG-CE1 4.46Å
102L95.1Very high94.3Very high90 Ų9037.8 Ų37.847%0.47118%0.175SC..Hα-helixtrans-79.6-14.6172.5-62.4-178.1000112.6R98 E104 F422R98-L102 HydrophobicContact CG-CD1 3.71Å; R98-L102 HydrophobicContact CG-CG 4.31Å; R98-L102 VanDerWaalsContact O-CB 3.3Å; R98-L102 WeakPolarHBondContact O-CB 3.01Å; R98-L102 WeakPolarHBondContact O-CG 3.47Å; R98-L102 PolarHBondContact O-N 3.43Å; L102-E104 VanDerWaalsContact C-N 3.31Å; L102-F422 HydrophobicContact CD1-CE2 4.22Å; L102-F422 HydrophobicContact CD1-CZ 4.23Å; L102-F422 HydrophobicContact CD2-CZ 3.87Å; L102-F422 HydrophobicContact CG-CE2 4.34Å; L102-F422 HydrophobicContact CG-CZ 3.85Å
103G95.3Very high93.8Very high0 Ų039.4 Ų39.40%019%0.185CC..THydrogen-bonded Turntrans-82.31.7175.700000115H99 I100 L101 H105 R106 L107 V108H99-G103 WeakPolarHBondContact O-CA 3.37Å; H99-G103 PolarHBondContact O-N 3.12Å; I100-G103 PolarHBondContact O-N 3.48Å; I100-G103 VanDerWaalsContact O-N 3.17Å; L101-G103 VanDerWaalsContact C-N 3.29Å; G103-H105 PolarHBondContact O-N 3.44Å; G103-R106 PolarHBondContact O-N 3.45Å; G103-R106 VanDerWaalsContact O-N 3.1Å; G103-L107 PolarHBondContact O-N 3.45Å; G103-V108 PolarHBondContact O-N 2.99Å
104E94.8Very high93.5Very high15 Ų1541.7 Ų41.77%0.0720%0.2CC..BIsolated β-bridgetrans-55137.2179.8-172.978.7-17400111.6L102 R106 V108 A110 R367 S431 R432L102-E104 VanDerWaalsContact C-N 3.31Å; E104-R106 PolarHBondContact O-N 2.99Å; E104-V108 CarbonylContact C-O 3.45Å; E104-V108 WeakPolarHBondContact CA-O 3.49Å; E104-A110 WeakPolarHBondContact OE1-CB 3.46Å; E104-A110 PolarHBondContact OE1-N 3.33Å; E104-A110 PolarHBondContact OE2-N 2.73Å; E104-R367 VanDerWaalsContact OE2-CD 3.29Å; E104-R367 WeakPolarHBondContact OE2-CD 3.35Å; E104-R367 IonicContact OE2-CZ 3.63Å; E104-R367 IonicContact OE2-NE 3.52Å; E104-R367 PolarHBondContact OE2-NE 2.96Å; E104-R367 IonicContact OE2-NH2 2.64Å; E104-S431 WeakPolarHBondContact CB-OG 3.29Å; E104-S431 VanDerWaalsContact CG-OG 3.25Å; E104-S431 WeakPolarHBondContact CG-OG 3.46Å; E104-R432 HydrophobicContact CG-CG 4.03Å; E104-R432 IonicContact OE1-CZ 3.39Å; E104-R432 IonicContact OE1-NE 3.58Å; E104-R432 PolarHBondContact OE1-NE 3.39Å; E104-R432 IonicContact OE1-NH2 2.87Å; E104-R432 PolarHBondContact OE1-NH2 2.87Å
105H91.7Very high93.2Very high74 Ų7440.7 Ų40.734%0.34319%0.192SC..THydrogen-bonded Turntrans69.9-7-175.9-46.1-55.4000115.7G103 V108 G130G103-H105 PolarHBondContact O-N 3.44Å; H105-V108 PolarHBondContact N-O 3.38Å; H105-G130 PolarHBondContact CE1-N 2.94Å
106R94.6Very high93Very high161 Ų16135.9 Ų35.961%0.60817%0.169SC*.THydrogen-bonded Turntrans-116.7-49.4178.6-178-178.866.1171.6-0.9113.4G103 E104G103-R106 PolarHBondContact O-N 3.45Å; G103-R106 VanDerWaalsContact O-N 3.1Å; E104-R106 PolarHBondContact O-N 2.99Å
107L96.4Very high92.8Very high10 Ų1038.7 Ų38.75%0.05218%0.179CC..THydrogen-bonded Turntrans-102.5-43.2180-57-177.8000110.3H99 G103 L370 K371 F373H99-L107 WeakPolarHBondContact NE2-CD1 3.49Å; G103-L107 PolarHBondContact O-N 3.45Å; L107-L370 PolarHBondContact O-N 3.15Å; L107-K371 VanDerWaalsContact CD2-CE 3.41Å; L107-F373 HydrophobicContact CB-CD1 4.15Å; L107-F373 HydrophobicContact CB-CE1 4.16Å; L107-F373 HydrophobicContact CB-CG 4.48Å; L107-F373 HydrophobicContact CB-CZ 4.48Å; L107-F373 HydrophobicContact CD1-CD2 4.4Å; L107-F373 HydrophobicContact CD2-CB 4.22Å; L107-F373 HydrophobicContact CD2-CG 4.33Å
108V97.1Very high92.7Very high0 Ų041.3 Ų41.30%020%0.195CC..EExtended strand (participates in β ladder)trans-134.5160.5-175.6-63.60000111.3I100 G103 E104 H105 R367 V368 F373 V386I100-V108 HydrophobicContact CD1-CG1 4.35Å; I100-V108 HydrophobicContact CG2-CG2 4.14Å; I100-V108 VanDerWaalsContact O-CG2 3.25Å; I100-V108 WeakPolarHBondContact O-CG2 3.34Å; G103-V108 PolarHBondContact O-N 2.99Å; E104-V108 CarbonylContact C-O 3.45Å; E104-V108 WeakPolarHBondContact CA-O 3.49Å; H105-V108 PolarHBondContact N-O 3.38Å; V108-R367 HydrophobicContact CB-CB 4.05Å; V108-R367 HydrophobicContact CB-CG 4.32Å; V108-R367 HydrophobicContact CG1-CB 4.45Å; V108-R367 HydrophobicContact CG2-CB 4.44Å; V108-R367 HydrophobicContact CG2-CG 4.16Å; V108-V368 CarbonylContact C-O 3.43Å; V108-V368 WeakPolarHBondContact CA-O 3.42Å; V108-F373 HydrophobicContact CG1-CE1 3.96Å; V108-F373 HydrophobicContact CG1-CZ 3.93Å; V108-V386 HydrophobicContact CG1-CG2 4.5Å
109S96Very high92.6Very high13 Ų1337.5 Ų37.59%0.09118%0.181CC..EExtended strand (participates in β ladder)trans-129.8140168.2-171.20000110Q111 H129 R367 V368S109-Q111 PolarHBondContact O-N 3.2Å; S109-H129 PolarHBondContact OG-CE1 3.21Å; S109-H129 VanDerWaalsContact OG-CE1 3.25Å; S109-H129 PolarHBondContact OG-ND1 2.95Å; S109-R367 VanDerWaalsContact C-CD 3.47Å; S109-R367 CarbonylContact O-C 3.54Å; S109-R367 WeakPolarHBondContact O-CA 3.49Å; S109-R367 WeakPolarHBondContact O-CD 3.19Å; S109-V368 PolarHBondContact N-O 3.48Å; S109-V368 PolarHBondContact O-N 3.21Å
110A93.6Very high92.4Very high4 Ų434.8 Ų34.83%0.03317%0.168CC..EExtended strand (participates in β ladder)trans-47.5132.2165.300000110.1E104 H129E104-A110 WeakPolarHBondContact OE1-CB 3.46Å; E104-A110 PolarHBondContact OE1-N 3.33Å; E104-A110 PolarHBondContact OE2-N 2.73Å; A110-H129 PolarHBondContact O-CE1 2.95Å
111Q89.9Confident92Very high70 Ų7034.9 Ų34.933%0.32717%0.169SC..  trans-150.2108.1173.1-174.7167.66.200108.8S109 F366 V368S109-Q111 PolarHBondContact O-N 3.2Å; Q111-F366 PolarHBondContact N-O 2.64Å; Q111-F366 WeakPolarHBondContact O-CB 3.08Å; Q111-V368 HydrophobicContact CB-CB 4.37Å; Q111-V368 HydrophobicContact CB-CG1 4.19Å
112W86.8Confident91.6Very high65 Ų6540.6 Ų40.625%0.24620%0.198CC..  trans-77.6155173.6-69.194.6000111.1V116 R117 F219 F366W112-V116 HydrophobicContact CB-CB 4.05Å; W112-V116 HydrophobicContact CB-CG1 3.95Å; W112-V116 HydrophobicContact CD2-CG1 4.22Å; W112-V116 HydrophobicContact CE3-CG1 4.08Å; W112-V116 HydrophobicContact CG-CG1 4.2Å; W112-R117 HydrophobicContact CB-CG 3.97Å; W112-F219 HydrophobicContact CZ3-CZ 4.2Å; W112-F366 AromaticContact CE3-CD2 3.97Å; W112-F366 HydrophobicContact CE3-CD2 3.97Å; W112-F366 HydrophobicContact CE3-CE2 4.32Å; W112-F366 HydrophobicContact CZ3-CD2 4.06Å; W112-F366 HydrophobicContact CZ3-CE2 4.17Å
113P84.6Confident91.3Very high36 Ų3639.1 Ų39.123%0.23419%0.19CC..  trans-51.8148.3170.9-26.135.2000111.8S115 V116 R117 F219P113-S115 VanDerWaalsContact C-N 3.29Å; P113-S115 PolarHBondContact O-N 2.57Å; P113-V116 HydrophobicContact CB-CG2 4.17Å; P113-V116 HydrophobicContact CG-CG2 4.26Å; P113-V116 WeakPolarHBondContact O-CB 3.38Å; P113-V116 PolarHBondContact O-N 3.27Å; P113-R117 PolarHBondContact O-N 3.42Å; P113-F219 HydrophobicContact CG-CD1 4.03Å; P113-F219 HydrophobicContact CG-CE1 4Å
114S86.9Confident91.1Very high55 Ų5539.1 Ų39.139%0.38519%0.19SC..Hα-helixtrans-56.8-41.5-172.1-1640000113.3V116 R117 T118S114-V116 VanDerWaalsContact C-N 3.33Å; S114-V116 PolarHBondContact O-N 2.92Å; S114-R117 PolarHBondContact O-N 3.41Å; S114-T118 PolarHBondContact O-N 2.93Å; S114-T118 PolarHBondContact O-OG1 3.4Å; S114-T118 VanDerWaalsContact O-OG1 3.09Å
115S87.6Confident90.9Very high3 Ų339.1 Ų39.12%0.02119%0.191CC..Hα-helixtrans-57.5-43.4176.6550000112.4P113 R117 T118 I119 L218 S220P113-S115 VanDerWaalsContact C-N 3.29Å; P113-S115 PolarHBondContact O-N 2.57Å; S115-R117 VanDerWaalsContact C-N 3.33Å; S115-R117 PolarHBondContact O-N 3.45Å; S115-T118 PolarHBondContact O-N 2.89Å; S115-I119 WeakPolarHBondContact O-CB 3.24Å; S115-I119 VanDerWaalsContact O-CG1 3.3Å; S115-I119 WeakPolarHBondContact O-CG1 3.44Å; S115-I119 PolarHBondContact O-N 3.05Å; S115-L218 CarbonylContact C-O 3.57Å; S115-L218 VanDerWaalsContact CB-O 3.27Å; S115-L218 WeakPolarHBondContact CB-O 3.49Å; S115-L218 PolarHBondContact OG-O 2.99Å; S115-S220 WeakPolarHBondContact CB-O 3.31Å; S115-S220 PolarHBondContact OG-O 3.13Å; S115-S220 VanDerWaalsContact OG-O 3.13Å
116V89Confident90.9Very high2 Ų236.6 Ų36.61%0.01218%0.181CC..Hα-helixtrans-61.9-44.81781790000109.8W112 P113 S114 I119 L120 L218 F219W112-V116 HydrophobicContact CB-CB 4.05Å; W112-V116 HydrophobicContact CB-CG1 3.95Å; W112-V116 HydrophobicContact CD2-CG1 4.22Å; W112-V116 HydrophobicContact CE3-CG1 4.08Å; W112-V116 HydrophobicContact CG-CG1 4.2Å; P113-V116 HydrophobicContact CB-CG2 4.17Å; P113-V116 HydrophobicContact CG-CG2 4.26Å; P113-V116 WeakPolarHBondContact O-CB 3.38Å; P113-V116 PolarHBondContact O-N 3.27Å; S114-V116 VanDerWaalsContact C-N 3.33Å; S114-V116 PolarHBondContact O-N 2.92Å; V116-I119 PolarHBondContact O-N 3.42Å; V116-L120 HydrophobicContact CG1-CD1 3.72Å; V116-L120 HydrophobicContact CG1-CG 4.28Å; V116-L120 WeakPolarHBondContact O-CB 3.4Å; V116-L120 PolarHBondContact O-N 2.92Å; V116-L218 WeakPolarHBondContact CA-O 3.26Å; V116-L218 HydrophobicContact CG1-CD2 4.44Å; V116-L218 HydrophobicContact CG2-CB 4.28Å; V116-L218 WeakPolarHBondContact CG2-O 3.34Å; V116-L218 PolarHBondContact N-O 2.89Å; V116-F219 HydrophobicContact CG2-CD1 4.04Å; V116-F219 HydrophobicContact CG2-CE1 3.92Å; V116-F219 HydrophobicContact CG2-CE2 4.4Å; V116-F219 HydrophobicContact CG2-CG 4.35Å; V116-F219 HydrophobicContact CG2-CZ 4.11Å
117R91.1Very high90.7Very high72 Ų7229.7 Ų29.727%0.27216%0.156SC..Hα-helixtrans-63.9-43.5-179.6-55-164.9-65.5-169.7-2.8112.2W112 P113 S114 S115 G121 M122 N127W112-R117 HydrophobicContact CB-CG 3.97Å; P113-R117 PolarHBondContact O-N 3.42Å; S114-R117 PolarHBondContact O-N 3.41Å; S115-R117 VanDerWaalsContact C-N 3.33Å; S115-R117 PolarHBondContact O-N 3.45Å; R117-G121 CarbonylContact O-C 3.52Å; R117-G121 WeakPolarHBondContact O-CA 3.33Å; R117-G121 PolarHBondContact O-N 3.01Å; R117-M122 HydrophobicContact CB-SD 4.31Å; R117-N127 WeakPolarHBondContact CA-ND2 3.45Å; R117-N127 VanDerWaalsContact CG-OD1 3.28Å; R117-N127 WeakPolarHBondContact CG-OD1 3.47Å
118T92.2Very high90.5Very high55 Ų5530.5 Ų30.534%0.33716%0.16SC..Hα-helixtrans-68.6-41.2179.8-58.20000112.3S114 S115 L230 L234S114-T118 PolarHBondContact O-N 2.93Å; S114-T118 PolarHBondContact O-OG1 3.4Å; S114-T118 VanDerWaalsContact O-OG1 3.09Å; S115-T118 PolarHBondContact O-N 2.89Å; T118-L230 HydrophobicContact CG2-CD1 4.05Å; T118-L234 HydrophobicContact CG2-CD1 4.32Å; T118-L234 HydrophobicContact CG2-CD2 4.19Å
119I93.4Very high90.2Very high0 Ų033.9 Ų33.90%018%0.176CC..Hα-helixtrans-74.5-45.1-179.8-67.5167.2000111.5S115 V116 M214 N217 L218 L230 R237S115-I119 WeakPolarHBondContact O-CB 3.24Å; S115-I119 VanDerWaalsContact O-CG1 3.3Å; S115-I119 WeakPolarHBondContact O-CG1 3.44Å; S115-I119 PolarHBondContact O-N 3.05Å; V116-I119 PolarHBondContact O-N 3.42Å; I119-M214 HydrophobicContact CG2-CG 3.5Å; I119-M214 VanDerWaalsContact CG2-CG 3.5Å; I119-M214 HydrophobicContact CG2-SD 4.25Å; I119-N217 HydrophobicContact CD1-CB 4.38Å; I119-N217 WeakPolarHBondContact CD1-O 3.36Å; I119-L218 HydrophobicContact CB-CD2 3.99Å; I119-L218 HydrophobicContact CG2-CD2 3.68Å; I119-L230 HydrophobicContact CD1-CD1 3.92Å; I119-L230 HydrophobicContact CG1-CD1 3.69Å; I119-R237 WeakPolarHBondContact O-CD 3.26Å; I119-R237 WeakPolarHBondContact O-CG 3.45Å
120L91.1Very high89.9Confident3 Ų335 Ų352%0.01619%0.189CC..Hα-helixtrans-73.7-30.7178.9-69.7-179.2000112.8V116 T124 L218 F293V116-L120 HydrophobicContact CG1-CD1 3.72Å; V116-L120 HydrophobicContact CG1-CG 4.28Å; V116-L120 WeakPolarHBondContact O-CB 3.4Å; V116-L120 PolarHBondContact O-N 2.92Å; L120-T124 HydrophobicContact CB-CG2 4.18Å; L120-T124 VanDerWaalsContact O-CG2 3.25Å; L120-T124 WeakPolarHBondContact O-CG2 3.07Å; L120-L218 HydrophobicContact CD1-CD2 4.49Å; L120-L218 HydrophobicContact CD2-CD2 3.96Å; L120-L218 HydrophobicContact CG-CD2 3.82Å; L120-F293 HydrophobicContact CD1-CD1 4.14Å; L120-F293 HydrophobicContact CD1-CE1 4.25Å; L120-F293 HydrophobicContact CD2-CB 4.33Å; L120-F293 HydrophobicContact CD2-CD1 4.28Å; L120-F293 HydrophobicContact CD2-CG 4.25Å
121G90.3Very high89.7Confident3 Ų339.2 Ų39.23%0.03122%0.218CC..  trans105.9151.1-178.200000113.3R117 T124 N127 E286R117-G121 CarbonylContact O-C 3.52Å; R117-G121 WeakPolarHBondContact O-CA 3.33Å; R117-G121 PolarHBondContact O-N 3.01Å; G121-T124 WeakPolarHBondContact O-CG2 3.31Å; G121-T124 PolarHBondContact O-OG1 3.45Å; G121-N127 PolarHBondContact O-ND2 3.04Å; G121-E286 VanDerWaalsContact CA-CD 3.46Å; G121-E286 VanDerWaalsContact CA-OE2 3.31Å; G121-E286 WeakPolarHBondContact CA-OE2 3.36Å
122M87.1Confident89.7Confident122 Ų12242 Ų4260%0.60123%0.231SC*.THydrogen-bonded Turntrans-77.2-24.2-172.6-67.2-62.6-68.300112.7R117 T124 E286R117-M122 HydrophobicContact CB-SD 4.31Å; M122-T124 VanDerWaalsContact C-N 3.26Å; M122-T124 PolarHBondContact O-N 3.29Å; M122-E286 PolarHBondContact N-OE2 2.73Å; M122-E286 VanDerWaalsContact N-OE2 3.15Å
123D87.3Confident90Very high59 Ų5939.3 Ų39.332%0.31622%0.221SC..THydrogen-bonded Turntrans-85.86.5179.5-67.1-51.7000112.5M128 K136 A283 E286D123-M128 HydrophobicContact CB-CE 4.16Å; D123-M128 VanDerWaalsContact O-CE 3.23Å; D123-M128 WeakPolarHBondContact O-CE 3.35Å; D123-K136 WeakPolarHBondContact O-CE 3.49Å; D123-K136 PolarHBondContact O-NZ 3.17Å; D123-A283 HydrophobicContact CB-CB 4.02Å; D123-E286 WeakPolarHBondContact CA-OE2 3.39Å; D123-E286 VanDerWaalsContact CB-OE2 3.3Å; D123-E286 WeakPolarHBondContact CB-OE2 3.26Å; D123-E286 PolarHBondContact N-OE2 3.33Å
124T91.6Very high90.3Very high0 Ų045.2 Ų45.20%024%0.243CC..SBendtrans-71.4151.7176.954.70000112.7L120 G121 M122 S126 N127 M128 E286 E290L120-T124 HydrophobicContact CB-CG2 4.18Å; L120-T124 VanDerWaalsContact O-CG2 3.25Å; L120-T124 WeakPolarHBondContact O-CG2 3.07Å; G121-T124 WeakPolarHBondContact O-CG2 3.31Å; G121-T124 PolarHBondContact O-OG1 3.45Å; M122-T124 VanDerWaalsContact C-N 3.26Å; M122-T124 PolarHBondContact O-N 3.29Å; T124-S126 PolarHBondContact O-N 3.31Å; T124-S126 PolarHBondContact OG1-OG 3.33Å; T124-N127 PolarHBondContact O-N 3.42Å; T124-N127 VanDerWaalsContact O-N 3.08Å; T124-N127 PolarHBondContact OG1-ND2 3.43Å; T124-M128 WeakPolarHBondContact O-CG 3.47Å; T124-M128 PolarHBondContact O-N 2.89Å; T124-E286 HydrophobicContact CG2-CB 3.95Å; T124-E290 HydrophobicContact CG2-CB 4.03Å
125L91.6Very high90.4Very high15 Ų1546.6 Ų46.68%0.07925%0.25CC..THydrogen-bonded Turntrans-57.5-38.5177.7-17670000111.6N127 M128 H133 K136 K137 I140 E290 R432 V435L125-N127 VanDerWaalsContact C-N 3.27Å; L125-N127 PolarHBondContact O-N 3.06Å; L125-M128 PolarHBondContact O-N 3.3Å; L125-H133 WeakPolarHBondContact CD1-CD2 3.37Å; L125-H133 PolarHBondContact O-CD2 2.83Å; L125-H133 VanDerWaalsContact O-CD2 3.31Å; L125-K136 HydrophobicContact CD1-CB 3.99Å; L125-K136 HydrophobicContact CD1-CG 4.14Å; L125-K137 HydrophobicContact CD1-CB 3.83Å; L125-K137 HydrophobicContact CD2-CB 4.49Å; L125-K137 HydrophobicContact CD2-CG 4.45Å; L125-I140 HydrophobicContact CB-CD1 3.91Å; L125-I140 HydrophobicContact CD1-CD1 4.34Å; L125-I140 HydrophobicContact CD2-CD1 3.89Å; L125-I140 HydrophobicContact CG-CD1 4.26Å; L125-E290 WeakPolarHBondContact CB-OE2 3.45Å; L125-E290 PolarHBondContact N-OE1 3.32Å; L125-E290 PolarHBondContact N-OE2 2.82Å; L125-R432 PolarHBondContact O-NH1 3.24Å; L125-R432 VanDerWaalsContact O-NH1 3.07Å; L125-V435 HydrophobicContact CD2-CG1 3.89Å; L125-V435 HydrophobicContact CD2-CG2 4.33Å
126S90.5Very high90.5Very high20 Ų2047.9 Ų47.914%0.1426%0.255CS..THydrogen-bonded Turntrans-62.6-29.1177.549.60000113.7T124 E290T124-S126 PolarHBondContact O-N 3.31Å; T124-S126 PolarHBondContact OG1-OG 3.33Å; S126-E290 WeakPolarHBondContact CA-OE1 3.42Å; S126-E290 WeakPolarHBondContact CB-OE1 3.33Å; S126-E290 PolarHBondContact N-OE1 3.33Å; S126-E290 PolarHBondContact OG-OE1 3.05Å
127N90.7Very high90.7Very high16 Ų1649.4 Ų49.49%0.08626%0.261CS..THydrogen-bonded Turntrans-99.6-15.4178.8-68.5-31.8000114.1R117 G121 T124 L125 H129R117-N127 WeakPolarHBondContact CA-ND2 3.45Å; R117-N127 VanDerWaalsContact CG-OD1 3.28Å; R117-N127 WeakPolarHBondContact CG-OD1 3.47Å; G121-N127 PolarHBondContact O-ND2 3.04Å; T124-N127 PolarHBondContact O-N 3.42Å; T124-N127 VanDerWaalsContact O-N 3.08Å; T124-N127 PolarHBondContact OG1-ND2 3.43Å; L125-N127 VanDerWaalsContact C-N 3.27Å; L125-N127 PolarHBondContact O-N 3.06Å; N127-H129 PolarHBondContact O-CD2 3.18Å; N127-H129 VanDerWaalsContact O-CD2 3.31Å; N127-H129 PolarHBondContact O-NE2 2.91Å; N127-H129 VanDerWaalsContact O-NE2 3.11Å
128M91.3Very high90.7Very high27 Ų2752.7 Ų52.713%0.13328%0.278CS..  trans-74.4154.7174.9-75.9-175.8174.300112.6D123 T124 L125 Q132 H133 K136 R432D123-M128 HydrophobicContact CB-CE 4.16Å; D123-M128 VanDerWaalsContact O-CE 3.23Å; D123-M128 WeakPolarHBondContact O-CE 3.35Å; T124-M128 WeakPolarHBondContact O-CG 3.47Å; T124-M128 PolarHBondContact O-N 2.89Å; L125-M128 PolarHBondContact O-N 3.3Å; M128-Q132 HydrophobicContact SD-CB 4.28Å; M128-H133 HydrophobicContact CB-CB 3.95Å; M128-K136 HydrophobicContact CE-CD 3.76Å; M128-K136 HydrophobicContact SD-CB 3.89Å; M128-K136 HydrophobicContact SD-CD 3.36Å; M128-K136 WeakPolarHBondContact SD-CD 3.44Å; M128-K136 HydrophobicContact SD-CG 4.24Å; M128-R432 VanDerWaalsContact O-CZ 3.24Å; M128-R432 PolarHBondContact O-NH1 3.36Å; M128-R432 PolarHBondContact O-NH2 3.11Å
129H91.3Very high90.4Very high72 Ų7250.9 Ų50.933%0.33327%0.268SS..  trans-131.5165.4178.1-58.9-66.5000112.2S109 A110 N127 S131 Q132 H133 R432S109-H129 PolarHBondContact OG-CE1 3.21Å; S109-H129 VanDerWaalsContact OG-CE1 3.25Å; S109-H129 PolarHBondContact OG-ND1 2.95Å; A110-H129 PolarHBondContact O-CE1 2.95Å; N127-H129 PolarHBondContact O-CD2 3.18Å; N127-H129 VanDerWaalsContact O-CD2 3.31Å; N127-H129 PolarHBondContact O-NE2 2.91Å; N127-H129 VanDerWaalsContact O-NE2 3.11Å; H129-S131 PolarHBondContact O-N 3.22Å; H129-Q132 PolarHBondContact O-N 2.98Å; H129-H133 PolarHBondContact O-N 3.36Å; H129-R432 PolarHBondContact CE1-NH2 3.31Å; H129-R432 PolarHBondContact ND1-NH2 3.42Å
130G90.3Very high90.3Very high35 Ų3551 Ų5136%0.36127%0.268SS..Hα-helixtrans55.8-133.2170.300000114.6H105 H133 K134H105-G130 PolarHBondContact CE1-N 2.94Å; G130-H133 PolarHBondContact O-N 3.46Å; G130-K134 PolarHBondContact O-N 2.7Å; G130-K134 VanDerWaalsContact O-N 3.12Å
131S90.1Very high90.4Very high93 Ų9354.5 Ų54.565%0.6529%0.287SS*.Hα-helixtrans-64.4-42.1-177.752.80000112.8H129 H133 K134 T135H129-S131 PolarHBondContact O-N 3.22Å; S131-H133 VanDerWaalsContact C-N 3.35Å; S131-H133 PolarHBondContact O-N 3.31Å; S131-K134 PolarHBondContact O-N 2.96Å; S131-K134 VanDerWaalsContact O-N 3.14Å; S131-T135 PolarHBondContact O-N 2.83Å; S131-T135 PolarHBondContact O-OG1 3.41Å
132Q89.3Confident90.3Very high130 Ų13059.5 Ų59.561%0.60731%0.305SS*.Hα-helixtrans-58.5-47.3177.8-68.4177.2-15.400111.1M128 H129 K134 T135 K136M128-Q132 HydrophobicContact SD-CB 4.28Å; H129-Q132 PolarHBondContact O-N 2.98Å; Q132-K134 PolarHBondContact O-N 3.45Å; Q132-T135 PolarHBondContact O-N 3.18Å; Q132-K136 WeakPolarHBondContact O-CB 3.36Å; Q132-K136 PolarHBondContact O-N 2.91Å
133H93.1Very high90.4Very high8 Ų853.7 Ų53.74%0.03728%0.276CS..Hα-helixtrans-58.5-46.3174.2170.4-106.6000112L125 M128 H129 G130 S131 T135 K136 K137 S431 R432L125-H133 WeakPolarHBondContact CD1-CD2 3.37Å; L125-H133 PolarHBondContact O-CD2 2.83Å; L125-H133 VanDerWaalsContact O-CD2 3.31Å; M128-H133 HydrophobicContact CB-CB 3.95Å; H129-H133 PolarHBondContact O-N 3.36Å; G130-H133 PolarHBondContact O-N 3.46Å; S131-H133 VanDerWaalsContact C-N 3.35Å; S131-H133 PolarHBondContact O-N 3.31Å; H133-T135 PolarHBondContact O-N 3.03Å; H133-K136 PolarHBondContact O-N 2.85Å; H133-K137 WeakPolarHBondContact O-CB 3.41Å; H133-K137 PolarHBondContact O-N 2.76Å; H133-S431 PolarHBondContact CE1-O 2.88Å; H133-R432 PolarHBondContact CD2-NH1 3.45Å; H133-R432 PolarHBondContact NE2-NH1 2.85Å; H133-R432 VanDerWaalsContact NE2-NH1 3.12Å
134K91.7Very high90.7Very high160 Ų16051.8 Ų51.870%0.69627%0.265SS*.Hα-helixtrans-61.2-44.4-179.9-172.5179.7179.8-178.20111.8G130 S131 Q132 K138G130-K134 PolarHBondContact O-N 2.7Å; G130-K134 VanDerWaalsContact O-N 3.12Å; S131-K134 PolarHBondContact O-N 2.96Å; S131-K134 VanDerWaalsContact O-N 3.14Å; Q132-K134 PolarHBondContact O-N 3.45Å; K134-K138 PolarHBondContact O-N 2.79Å
135T88.9Confident90.7Very high84 Ų8453.5 Ų53.552%0.51528%0.277SS..Hα-helixtrans-63.9-49.7178.3-61.40000111.1S131 Q132 H133 K137 K138 A139S131-T135 PolarHBondContact O-N 2.83Å; S131-T135 PolarHBondContact O-OG1 3.41Å; Q132-T135 PolarHBondContact O-N 3.18Å; H133-T135 PolarHBondContact O-N 3.03Å; T135-K137 PolarHBondContact O-N 2.72Å; T135-K138 PolarHBondContact O-N 2.75Å; T135-A139 PolarHBondContact O-N 2.91Å; T135-A139 VanDerWaalsContact O-N 3.11Å
136K89.1Confident90.9Very high30 Ų3058.2 Ų58.213%0.1329%0.294CS..Hα-helixtrans-64.8-40.1179-169.9162.1-171.3149.80112.4D123 L125 M128 Q132 H133 K138 A139 I140 S287D123-K136 WeakPolarHBondContact O-CE 3.49Å; D123-K136 PolarHBondContact O-NZ 3.17Å; L125-K136 HydrophobicContact CD1-CB 3.99Å; L125-K136 HydrophobicContact CD1-CG 4.14Å; M128-K136 HydrophobicContact CE-CD 3.76Å; M128-K136 HydrophobicContact SD-CB 3.89Å; M128-K136 HydrophobicContact SD-CD 3.36Å; M128-K136 WeakPolarHBondContact SD-CD 3.44Å; M128-K136 HydrophobicContact SD-CG 4.24Å; Q132-K136 WeakPolarHBondContact O-CB 3.36Å; Q132-K136 PolarHBondContact O-N 2.91Å; H133-K136 PolarHBondContact O-N 2.85Å; K136-K138 VanDerWaalsContact C-N 3.31Å; K136-K138 PolarHBondContact O-N 3.16Å; K136-A139 WeakPolarHBondContact O-CB 3.1Å; K136-A139 PolarHBondContact O-N 2.9Å; K136-A139 VanDerWaalsContact O-N 3.16Å; K136-I140 HydrophobicContact CG-CD1 3.95Å; K136-I140 PolarHBondContact O-N 3.1Å; K136-S287 WeakPolarHBondContact CE-OG 3.26Å; K136-S287 PolarHBondContact NZ-OG 3.21Å
137K92.8Very high90.9Very high33 Ų3363.4 Ų63.414%0.14332%0.316CS..Hα-helixtrans-56.6-46.5174.2-169.9174.7-174.2173.80111L125 H133 T135 A139 I140 L141 S431 M433 V435L125-K137 HydrophobicContact CD1-CB 3.83Å; L125-K137 HydrophobicContact CD2-CB 4.49Å; L125-K137 HydrophobicContact CD2-CG 4.45Å; H133-K137 WeakPolarHBondContact O-CB 3.41Å; H133-K137 PolarHBondContact O-N 2.76Å; T135-K137 PolarHBondContact O-N 2.72Å; K137-A139 VanDerWaalsContact C-N 3.31Å; K137-A139 PolarHBondContact O-N 3.11Å; K137-I140 PolarHBondContact O-N 3.32Å; K137-L141 HydrophobicContact CG-CD1 4Å; K137-L141 HydrophobicContact CG-CG 4.35Å; K137-L141 WeakPolarHBondContact O-CB 3.38Å; K137-L141 VanDerWaalsContact O-CG 3.29Å; K137-L141 WeakPolarHBondContact O-CG 3.48Å; K137-L141 PolarHBondContact O-N 3Å; K137-S431 PolarHBondContact NZ-O 3.31Å; K137-M433 PolarHBondContact NZ-O 2.81Å; K137-M433 VanDerWaalsContact NZ-O 3.08Å; K137-V435 HydrophobicContact CD-CG1 4.28Å; K137-V435 HydrophobicContact CG-CG1 3.73Å
138K90.2Very high91Very high142 Ų14262.8 Ų62.862%0.61731%0.313SS*.Hα-helixtrans-62.2-38.7178.8-173.1-179.8-179.9-178.30111.9K134 T135 K136K134-K138 PolarHBondContact O-N 2.79Å; T135-K138 PolarHBondContact O-N 2.75Å; K136-K138 VanDerWaalsContact C-N 3.31Å; K136-K138 PolarHBondContact O-N 3.16Å
139A87.3Confident91.1Very high17 Ų1762 Ų6214%0.1431%0.309CS..Hα-helixtrans-65.3-49.2175.600000111.5T135 K136 K137 L141 R142T135-A139 PolarHBondContact O-N 2.91Å; T135-A139 VanDerWaalsContact O-N 3.11Å; K136-A139 WeakPolarHBondContact O-CB 3.1Å; K136-A139 PolarHBondContact O-N 2.9Å; K136-A139 VanDerWaalsContact O-N 3.16Å; K137-A139 VanDerWaalsContact C-N 3.31Å; K137-A139 PolarHBondContact O-N 3.11Å; A139-L141 VanDerWaalsContact C-N 3.33Å; A139-L141 PolarHBondContact O-N 3.48Å; A139-R142 WeakPolarHBondContact O-CB 3.31Å; A139-R142 PolarHBondContact O-N 3.46Å
140I90.6Very high91.2Very high1 Ų161.9 Ų61.91%0.00531%0.309CS..Hα-helixtrans-62.1-39178.6-70163.8000111.7L125 K136 K137 R142 A143 F144 L268 L291 V435L125-I140 HydrophobicContact CB-CD1 3.91Å; L125-I140 HydrophobicContact CD1-CD1 4.34Å; L125-I140 HydrophobicContact CD2-CD1 3.89Å; L125-I140 HydrophobicContact CG-CD1 4.26Å; K136-I140 HydrophobicContact CG-CD1 3.95Å; K136-I140 PolarHBondContact O-N 3.1Å; K137-I140 PolarHBondContact O-N 3.32Å; I140-R142 PolarHBondContact O-N 2.87Å; I140-R142 VanDerWaalsContact O-N 3.16Å; I140-A143 WeakPolarHBondContact O-CB 3.26Å; I140-A143 PolarHBondContact O-N 3.15Å; I140-F144 HydrophobicContact CG2-CD2 4.07Å; I140-F144 HydrophobicContact CG2-CE2 3.68Å; I140-F144 WeakPolarHBondContact O-CD2 3.38Å; I140-L268 HydrophobicContact CG1-CD2 3.73Å; I140-L291 HydrophobicContact CG2-CD2 3.98Å; I140-V435 HydrophobicContact CG2-CB 4.17Å; I140-V435 HydrophobicContact CG2-CG2 3.77Å
141L92.4Very high91.3Very high77 Ų7764.6 Ų64.640%0.40332%0.315SS..Hα-helixtrans-61.8-22.9179.3-79.1170.7000113.8K137 A139 A143 F144 S145 V435K137-L141 HydrophobicContact CG-CD1 4Å; K137-L141 HydrophobicContact CG-CG 4.35Å; K137-L141 WeakPolarHBondContact O-CB 3.38Å; K137-L141 VanDerWaalsContact O-CG 3.29Å; K137-L141 WeakPolarHBondContact O-CG 3.48Å; K137-L141 PolarHBondContact O-N 3Å; A139-L141 VanDerWaalsContact C-N 3.33Å; A139-L141 PolarHBondContact O-N 3.48Å; L141-A143 VanDerWaalsContact C-N 3.31Å; L141-F144 CarbonylContact O-C 3.49Å; L141-F144 PolarHBondContact O-N 2.68Å; L141-F144 VanDerWaalsContact O-N 3.17Å; L141-S145 PolarHBondContact O-N 3.38Å; L141-V435 HydrophobicContact CD2-CB 3.95Å; L141-V435 HydrophobicContact CD2-CG1 4.02Å; L141-V435 HydrophobicContact CG-CB 4.45Å; L141-V435 HydrophobicContact CG-CG1 4.15Å
142R89.6Confident91.5Very high109 Ų10960.4 Ų60.441%0.41129%0.285SS..Hα-helixtrans-65.3-37.9173.4-67176.3176.4161.5-3.6111.6A139 I140 F144 S145 Q267A139-R142 WeakPolarHBondContact O-CB 3.31Å; A139-R142 PolarHBondContact O-N 3.46Å; I140-R142 PolarHBondContact O-N 2.87Å; I140-R142 VanDerWaalsContact O-N 3.16Å; R142-F144 PolarHBondContact O-N 2.81Å; R142-S145 WeakPolarHBondContact O-CB 3.45Å; R142-S145 PolarHBondContact O-N 3.35Å; R142-Q267 PolarHBondContact O-OE1 3.38Å
143A89.7Confident91.7Very high0 Ų054.2 Ų54.20%026%0.256CS..THydrogen-bonded Turntrans-65-8.9174.900000113.8I140 L141 Y152 A264 Q267I140-A143 WeakPolarHBondContact O-CB 3.26Å; I140-A143 PolarHBondContact O-N 3.15Å; L141-A143 VanDerWaalsContact C-N 3.31Å; A143-Y152 VanDerWaalsContact O-CE2 3.3Å; A143-Y152 WeakPolarHBondContact O-CE2 3.42Å; A143-Y152 PolarHBondContact O-OH 2.9Å; A143-A264 HydrophobicContact CB-CB 3.65Å; A143-Q267 HydrophobicContact CB-CB 4.21Å
144F92.4Very high91.7Very high18 Ų1857.5 Ų57.58%0.07928%0.278CS..THydrogen-bonded Turntrans-12424.4176.7-57.1-63.6000111.7I140 L141 R142 L192 L291 V435 F439I140-F144 HydrophobicContact CG2-CD2 4.07Å; I140-F144 HydrophobicContact CG2-CE2 3.68Å; I140-F144 WeakPolarHBondContact O-CD2 3.38Å; L141-F144 CarbonylContact O-C 3.49Å; L141-F144 PolarHBondContact O-N 2.68Å; L141-F144 VanDerWaalsContact O-N 3.17Å; R142-F144 PolarHBondContact O-N 2.81Å; F144-L192 HydrophobicContact CE1-CD2 3.76Å; F144-L192 HydrophobicContact CZ-CD2 3.94Å; F144-L291 HydrophobicContact CE2-CD2 3.89Å; F144-L291 HydrophobicContact CZ-CD2 3.9Å; F144-V435 HydrophobicContact CE2-CG2 4.31Å; F144-F439 HydrophobicContact CD1-CB 3.69Å; F144-F439 HydrophobicContact CD1-CG 4.23Å; F144-F439 HydrophobicContact CE1-CB 3.96Å; F144-F439 HydrophobicContact CE1-CD1 4.49Å; F144-F439 HydrophobicContact CE1-CG 4.08Å
145S92.8Very high91.7Very high36 Ų3651.5 Ų51.525%0.25226%0.255SS..SBendtrans-67.3163171.985.40000111.1L141 R142 E147 A148 L149L141-S145 PolarHBondContact O-N 3.38Å; R142-S145 WeakPolarHBondContact O-CB 3.45Å; R142-S145 PolarHBondContact O-N 3.35Å; S145-E147 WeakPolarHBondContact CB-OE2 3.44Å; S145-E147 PolarHBondContact O-N 2.93Å; S145-E147 PolarHBondContact OG-N 3.14Å; S145-E147 PolarHBondContact OG-OE2 2.72Å; S145-A148 PolarHBondContact O-N 3.38Å; S145-A148 VanDerWaalsContact O-N 3.15Å; S145-A148 PolarHBondContact OG-N 3.09Å; S145-L149 VanDerWaalsContact O-CG 3.27Å; S145-L149 WeakPolarHBondContact O-CG 3.43Å; S145-L149 PolarHBondContact O-N 2.75Å
146R94.1Very high92Very high114 Ų11447.5 Ų47.543%0.4323%0.23SC..Hα-helixtrans-54.9-43.8176.9-174.1179.9-178.4115.41111A148 L149 E150 I339 E343R146-A148 PolarHBondContact O-N 3.22Å; R146-L149 PolarHBondContact O-N 2.86Å; R146-E150 PolarHBondContact O-N 3.38Å; R146-I339 HydrophobicContact CG-CD1 3.68Å; R146-I339 HydrophobicContact CG-CG2 4.39Å; R146-I339 WeakPolarHBondContact O-CD1 3.28Å; R146-E343 IonicContact CZ-OE1 3.5Å; R146-E343 IonicContact CZ-OE2 3.56Å; R146-E343 IonicContact NH1-OE1 2.88Å; R146-E343 PolarHBondContact NH1-OE1 2.84Å; R146-E343 IonicContact NH1-OE2 3.77Å; R146-E343 PolarHBondContact NH1-OE2 3.21Å; R146-E343 IonicContact NH2-OE1 3.19Å; R146-E343 IonicContact NH2-OE2 2.73Å; R146-E343 PolarHBondContact NH2-OE2 3.48Å
147E91.9Very high92.2Very high130 Ų13046.6 Ų46.661%0.60723%0.226SC*.Hα-helixtrans-64.7-41179.8-53.473-156.100111.8S145 E150 L151S145-E147 WeakPolarHBondContact CB-OE2 3.44Å; S145-E147 PolarHBondContact O-N 2.93Å; S145-E147 PolarHBondContact OG-N 3.14Å; S145-E147 PolarHBondContact OG-OE2 2.72Å; E147-E150 PolarHBondContact O-N 3.42Å; E147-L151 WeakPolarHBondContact O-CG 3.31Å; E147-L151 PolarHBondContact O-N 3.49Å
148A92.1Very high92.2Very high3 Ų349.7 Ų49.73%0.02524%0.241CC..Hα-helixtrans-65.5-43.6175.800000111.5S145 R146 E150 L151 Y152S145-A148 PolarHBondContact O-N 3.38Å; S145-A148 VanDerWaalsContact O-N 3.15Å; S145-A148 PolarHBondContact OG-N 3.09Å; R146-A148 PolarHBondContact O-N 3.22Å; A148-E150 VanDerWaalsContact C-N 3.31Å; A148-E150 PolarHBondContact O-N 2.82Å; A148-L151 WeakPolarHBondContact O-CB 3.44Å; A148-L151 PolarHBondContact O-N 2.89Å; A148-Y152 HydrophobicContact CB-CE2 4.27Å; A148-Y152 VanDerWaalsContact O-CD1 3.27Å; A148-Y152 WeakPolarHBondContact O-CD1 3.41Å; A148-Y152 WeakPolarHBondContact O-CD2 3.4Å; A148-Y152 PolarHBondContact O-N 2.79Å
149L94.3Very high92.4Very high9 Ų943.8 Ų43.85%0.04722%0.216CC..Hα-helixtrans-62-37.7178.9-68.2177.5000112.1S145 R146 L151 Y152 I153 I339 E438 F439 V442S145-L149 VanDerWaalsContact O-CG 3.27Å; S145-L149 WeakPolarHBondContact O-CG 3.43Å; S145-L149 PolarHBondContact O-N 2.75Å; R146-L149 PolarHBondContact O-N 2.86Å; L149-L151 VanDerWaalsContact C-N 3.27Å; L149-L151 PolarHBondContact O-N 3.27Å; L149-Y152 HydrophobicContact CD2-CD2 4.11Å; L149-Y152 WeakPolarHBondContact O-CB 3.18Å; L149-Y152 PolarHBondContact O-N 2.96Å; L149-I153 WeakPolarHBondContact O-CG1 3.28Å; L149-I153 PolarHBondContact O-N 2.59Å; L149-I339 HydrophobicContact CB-CD1 3.81Å; L149-E438 HydrophobicContact CD1-CB 3.89Å; L149-F439 HydrophobicContact CD2-CB 3.76Å; L149-F439 HydrophobicContact CD2-CD2 3.95Å; L149-F439 HydrophobicContact CD2-CG 4.38Å; L149-V442 HydrophobicContact CD1-CG2 4.33Å
150E93Very high92.8Very high71 Ų7143 Ų4333%0.33221%0.209SC..Hα-helixtrans-59.7-40.5176.9-16266.6-143.300111.2R146 E147 A148 Y152 I153 P154 N338 I339R146-E150 PolarHBondContact O-N 3.38Å; E147-E150 PolarHBondContact O-N 3.42Å; A148-E150 VanDerWaalsContact C-N 3.31Å; A148-E150 PolarHBondContact O-N 2.82Å; E150-Y152 PolarHBondContact O-N 3.21Å; E150-I153 PolarHBondContact O-N 3.08Å; E150-P154 WeakPolarHBondContact O-CD 3.31Å; E150-N338 VanDerWaalsContact OE1-CA 3.31Å; E150-N338 WeakPolarHBondContact OE1-CA 3.45Å; E150-N338 WeakPolarHBondContact OE1-CB 3.36Å; E150-I339 HydrophobicContact CB-CD1 4.12Å; E150-I339 PolarHBondContact OE1-N 2.92Å; E150-I339 WeakPolarHBondContact OE2-CB 3.35Å; E150-I339 WeakPolarHBondContact OE2-CD1 3.43Å; E150-I339 WeakPolarHBondContact OE2-CG1 3.26Å; E150-I339 PolarHBondContact OE2-N 3.03Å; E150-I339 VanDerWaalsContact OE2-N 3.15Å
151L92Very high92.9Very high91 Ų9147 Ų4748%0.47623%0.227SC..Hα-helixtrans-69.3-19.3176.8-60.8169.7000112.9E147 A148 L149 T262E147-L151 WeakPolarHBondContact O-CG 3.31Å; E147-L151 PolarHBondContact O-N 3.49Å; A148-L151 WeakPolarHBondContact O-CB 3.44Å; A148-L151 PolarHBondContact O-N 2.89Å; L149-L151 VanDerWaalsContact C-N 3.27Å; L149-L151 PolarHBondContact O-N 3.27Å; L151-T262 HydrophobicContact CD1-CG2 3.85Å
152Y94Very high93Very high5 Ų547 Ų472%0.0223%0.231CC..Hα-helixtrans-87.7-25.6-179-63.6-11.9000112.5A143 A148 L149 E150 V155 I156 I191 T262 A264 F439A143-Y152 VanDerWaalsContact O-CE2 3.3Å; A143-Y152 WeakPolarHBondContact O-CE2 3.42Å; A143-Y152 PolarHBondContact O-OH 2.9Å; A148-Y152 HydrophobicContact CB-CE2 4.27Å; A148-Y152 VanDerWaalsContact O-CD1 3.27Å; A148-Y152 WeakPolarHBondContact O-CD1 3.41Å; A148-Y152 WeakPolarHBondContact O-CD2 3.4Å; A148-Y152 PolarHBondContact O-N 2.79Å; L149-Y152 HydrophobicContact CD2-CD2 4.11Å; L149-Y152 WeakPolarHBondContact O-CB 3.18Å; L149-Y152 PolarHBondContact O-N 2.96Å; E150-Y152 PolarHBondContact O-N 3.21Å; Y152-V155 PolarHBondContact O-N 3.47Å; Y152-I156 WeakPolarHBondContact O-CG1 3.32Å; Y152-I156 PolarHBondContact O-N 3.48Å; Y152-I191 HydrophobicContact CD1-CG2 3.61Å; Y152-I191 HydrophobicContact CD2-CG2 3.33Å; Y152-I191 HydrophobicContact CE1-CG2 3.86Å; Y152-I191 HydrophobicContact CE2-CG2 3.59Å; Y152-I191 HydrophobicContact CG-CG2 3.36Å; Y152-T262 WeakPolarHBondContact CE1-O 3.48Å; Y152-T262 PolarHBondContact OH-O 3.45Å; Y152-A264 PolarHBondContact OH-N 2.99Å; Y152-A264 VanDerWaalsContact OH-N 3.17Å; Y152-F439 HydrophobicContact CD2-CD2 4.18Å; Y152-F439 HydrophobicContact CD2-CE2 4.35Å
153I94.3Very high93.2Very high1 Ų141.9 Ų41.91%0.00521%0.212CC..Hα-helixtrans-53-51.6-176.4-69.6176.7000112.3L149 E150 V155 I156 Q157 L337 I339 L342 V442 I446L149-I153 WeakPolarHBondContact O-CG1 3.28Å; L149-I153 PolarHBondContact O-N 2.59Å; E150-I153 PolarHBondContact O-N 3.08Å; I153-V155 VanDerWaalsContact C-N 3.27Å; I153-V155 PolarHBondContact O-N 3.48Å; I153-I156 PolarHBondContact O-N 2.93Å; I153-I156 VanDerWaalsContact O-N 3.1Å; I153-Q157 HydrophobicContact CG2-CG 4.14Å; I153-Q157 VanDerWaalsContact O-CG 3.28Å; I153-Q157 WeakPolarHBondContact O-CG 2.99Å; I153-Q157 PolarHBondContact O-N 2.99Å; I153-L337 HydrophobicContact CG2-CB 4.48Å; I153-L337 WeakPolarHBondContact CG2-O 3.19Å; I153-I339 HydrophobicContact CD1-CG1 3.71Å; I153-L342 HydrophobicContact CD1-CD1 3.89Å; I153-L342 HydrophobicContact CG1-CD1 4.46Å; I153-V442 HydrophobicContact CD1-CG1 4.36Å; I153-V442 HydrophobicContact CG1-CG1 3.9Å; I153-I446 HydrophobicContact CB-CD1 4.27Å; I153-I446 HydrophobicContact CG1-CD1 4.06Å; I153-I446 HydrophobicContact CG2-CD1 3.93Å
154P92.1Very high93.4Very high76 Ų7642 Ų4249%0.49421%0.213SC..Hα-helixtrans-59.6-37.9-177.8-25.435.6000113.1E150 Q157 E158E150-P154 WeakPolarHBondContact O-CD 3.31Å; P154-Q157 PolarHBondContact O-N 3.4Å; P154-E158 WeakPolarHBondContact O-CB 3.38Å; P154-E158 PolarHBondContact O-N 2.96Å
155V92.3Very high93.4Very high35 Ų3547.1 Ų47.121%0.21224%0.235CC..Hα-helixtrans-67.8-42.1178.3179.50000111.1Y152 I153 Q157 E159 R190 I191Y152-V155 PolarHBondContact O-N 3.47Å; I153-V155 VanDerWaalsContact C-N 3.27Å; I153-V155 PolarHBondContact O-N 3.48Å; V155-Q157 VanDerWaalsContact C-N 3.33Å; V155-E159 WeakPolarHBondContact O-CG 3.28Å; V155-E159 PolarHBondContact O-N 3.38Å; V155-R190 HydrophobicContact CG1-CB 3.82Å; V155-I191 HydrophobicContact CB-CD1 4.18Å; V155-I191 HydrophobicContact CB-CG1 4.06Å; V155-I191 HydrophobicContact CG1-CD1 4.03Å; V155-I191 HydrophobicContact CG1-CG1 3.66Å
156I95.1Very high93.4Very high0 Ų047.2 Ų47.20%024%0.236CC..Hα-helixtrans-62-45.7175.9-62.4169.2000109.7Y152 I153 E159 V160 I187 I191 F439 V442 L443 I446Y152-I156 WeakPolarHBondContact O-CG1 3.32Å; Y152-I156 PolarHBondContact O-N 3.48Å; I153-I156 PolarHBondContact O-N 2.93Å; I153-I156 VanDerWaalsContact O-N 3.1Å; I156-E159 PolarHBondContact O-N 3.32Å; I156-V160 HydrophobicContact CG2-CG2 3.98Å; I156-V160 VanDerWaalsContact O-CB 3.26Å; I156-V160 WeakPolarHBondContact O-CB 3.37Å; I156-V160 WeakPolarHBondContact O-CG2 3.31Å; I156-V160 PolarHBondContact O-N 2.95Å; I156-I187 HydrophobicContact CG1-CG2 4.12Å; I156-I187 HydrophobicContact CG2-CD1 4.42Å; I156-I191 HydrophobicContact CD1-CD1 4.05Å; I156-I191 HydrophobicContact CG1-CD1 3.34Å; I156-F439 HydrophobicContact CD1-CE2 4.12Å; I156-V442 HydrophobicContact CD1-CG1 4.33Å; I156-L443 HydrophobicContact CD1-CB 4.16Å; I156-L443 HydrophobicContact CD1-CD1 4.23Å; I156-L443 HydrophobicContact CG1-CD1 4.21Å; I156-L443 HydrophobicContact CG2-CD1 4.07Å; I156-L443 HydrophobicContact CG2-CG 4.39Å; I156-I446 HydrophobicContact CB-CD1 3.97Å; I156-I446 HydrophobicContact CD1-CD1 4.14Å; I156-I446 HydrophobicContact CG2-CB 3.97Å; I156-I446 HydrophobicContact CG2-CD1 3.82Å; I156-I446 HydrophobicContact CG2-CG2 3.8Å
157Q94.1Very high93.3Very high11 Ų1142.1 Ų42.15%0.05122%0.217CC..Hα-helixtrans-61.9-45.6-179-69.8174.4-53.500112.1I153 P154 V155 E159 V160 H161 L334 L337 I446I153-Q157 HydrophobicContact CG2-CG 4.14Å; I153-Q157 VanDerWaalsContact O-CG 3.28Å; I153-Q157 WeakPolarHBondContact O-CG 2.99Å; I153-Q157 PolarHBondContact O-N 2.99Å; P154-Q157 PolarHBondContact O-N 3.4Å; V155-Q157 VanDerWaalsContact C-N 3.33Å; Q157-E159 PolarHBondContact O-N 3.24Å; Q157-V160 PolarHBondContact O-N 2.72Å; Q157-H161 WeakPolarHBondContact O-CB 3.28Å; Q157-H161 PolarHBondContact O-N 3.37Å; Q157-L334 PolarHBondContact NE2-O 3.36Å; Q157-L337 VanDerWaalsContact NE2-CB 3.27Å; Q157-I446 HydrophobicContact CB-CG2 4.49Å; Q157-I446 HydrophobicContact CG-CD1 4.44Å; Q157-I446 HydrophobicContact CG-CG2 3.65Å
158E92.9Very high93.2Very high98 Ų9838.4 Ų38.446%0.45820%0.2SC..Hα-helixtrans-57.6-48.4177.9-174.1-171.7-178.800111.8P154 T162 R190P154-E158 WeakPolarHBondContact O-CB 3.38Å; P154-E158 PolarHBondContact O-N 2.96Å; E158-T162 VanDerWaalsContact O-CB 3.31Å; E158-T162 WeakPolarHBondContact O-CB 3.4Å; E158-T162 PolarHBondContact O-N 3.1Å; E158-T162 PolarHBondContact O-OG1 3.02Å; E158-R190 VanDerWaalsContact CD-NH1 3.35Å; E158-R190 IonicContact OE1-NH1 2.73Å; E158-R190 IonicContact OE2-CZ 2.9Å; E158-R190 VanDerWaalsContact OE2-CZ 3.23Å; E158-R190 IonicContact OE2-NH1 3.95Å; E158-R190 PolarHBondContact OE2-NH1 3.28Å; E158-R190 IonicContact OE2-NH2 3.8Å; E158-R190 PolarHBondContact OE2-NH2 3.1Å
159E93.8Very high92.9Very high18 Ų1843.7 Ų43.78%0.08423%0.232CC..Hα-helixtrans-66.4-44.3179.9-72.6-62.615200112.4V155 I156 Q157 A163 L183 R186 I187 R190V155-E159 WeakPolarHBondContact O-CG 3.28Å; V155-E159 PolarHBondContact O-N 3.38Å; I156-E159 PolarHBondContact O-N 3.32Å; Q157-E159 PolarHBondContact O-N 3.24Å; E159-A163 WeakPolarHBondContact O-CB 3.19Å; E159-A163 PolarHBondContact O-N 3.01Å; E159-L183 HydrophobicContact CB-CD1 3.97Å; E159-L183 WeakPolarHBondContact O-CD1 3.11Å; E159-R186 WeakPolarHBondContact OE2-CB 3.44Å; E159-R186 WeakPolarHBondContact OE2-CD 3.4Å; E159-R186 IonicContact OE2-CZ 2.67Å; E159-R186 IonicContact OE2-NE 3.11Å; E159-R186 PolarHBondContact OE2-NE 2.92Å; E159-I187 HydrophobicContact CB-CD1 4.12Å; E159-I187 HydrophobicContact CB-CG1 3.52Å; E159-I187 HydrophobicContact CG-CG1 3.85Å; E159-R190 WeakPolarHBondContact OE1-CD 3.47Å; E159-R190 IonicContact OE1-CZ 3.77Å; E159-R190 IonicContact OE1-NE 3.43Å; E159-R190 IonicContact OE1-NH1 3.83Å; E159-R190 PolarHBondContact OE1-NH1 3.41Å
160V95.6Very high91.8Very high1 Ų149 Ų491%0.00626%0.257CS..Hα-helixtrans-64.2-47.8178.6167.50000110.3I156 Q157 T162 A163 V164 L183 I187 F447 E450I156-V160 HydrophobicContact CG2-CG2 3.98Å; I156-V160 VanDerWaalsContact O-CB 3.26Å; I156-V160 WeakPolarHBondContact O-CB 3.37Å; I156-V160 WeakPolarHBondContact O-CG2 3.31Å; I156-V160 PolarHBondContact O-N 2.95Å; Q157-V160 PolarHBondContact O-N 2.72Å; V160-T162 PolarHBondContact O-N 3.5Å; V160-A163 PolarHBondContact O-N 2.63Å; V160-V164 HydrophobicContact CG1-CG2 4.38Å; V160-V164 WeakPolarHBondContact O-CB 3.36Å; V160-V164 WeakPolarHBondContact O-CG2 3.35Å; V160-V164 PolarHBondContact O-N 3.1Å; V160-L183 HydrophobicContact CG2-CD2 4.39Å; V160-I187 HydrophobicContact CG2-CD1 4.09Å; V160-F447 HydrophobicContact CG1-CD2 4.36Å; V160-F447 HydrophobicContact CG2-CB 4.48Å; V160-E450 HydrophobicContact CG1-CB 3.47Å; V160-E450 VanDerWaalsContact CG1-CB 3.47Å; V160-E450 HydrophobicContact CG1-CG 3.77Å
161H93.7Very high90.5Very high83 Ų8352.5 Ų52.538%0.38428%0.278SS..Hα-helixtrans-59-47.5177.9179.670.1000111.4Q157 A163 V164 K165 E450Q157-H161 WeakPolarHBondContact O-CB 3.28Å; Q157-H161 PolarHBondContact O-N 3.37Å; H161-A163 VanDerWaalsContact C-N 3.32Å; H161-A163 PolarHBondContact O-N 2.84Å; H161-V164 PolarHBondContact O-N 3.27Å; H161-K165 VanDerWaalsContact O-CB 3.23Å; H161-K165 WeakPolarHBondContact O-CB 3.48Å; H161-K165 PolarHBondContact O-N 3.23Å; H161-E450 IonicContact CE1-OE1 3.06Å; H161-E450 IonicContact CG-OE1 2.74Å; H161-E450 IonicContact ND1-OE1 2.72Å; H161-E450 PolarHBondContact ND1-OE1 3.48Å
162T92.8Very high89.6Confident78 Ų7852.2 Ų52.248%0.47928%0.281SS..Hα-helixtrans-60.3-43.4178.7-60.70000111.4E158 V160 S166E158-T162 VanDerWaalsContact O-CB 3.31Å; E158-T162 WeakPolarHBondContact O-CB 3.4Å; E158-T162 PolarHBondContact O-N 3.1Å; E158-T162 PolarHBondContact O-OG1 3.02Å; V160-T162 PolarHBondContact O-N 3.5Å; T162-S166 PolarHBondContact O-N 2.95Å; T162-S166 VanDerWaalsContact O-N 3.1Å
163A93.8Very high89.5Confident2 Ų254.7 Ų54.72%0.01730%0.298CS..Hα-helixtrans-65.5-50.4177.400000111.9E159 V160 H161 K165 S166 W167 L183E159-A163 WeakPolarHBondContact O-CB 3.19Å; E159-A163 PolarHBondContact O-N 3.01Å; V160-A163 PolarHBondContact O-N 2.63Å; H161-A163 VanDerWaalsContact C-N 3.32Å; H161-A163 PolarHBondContact O-N 2.84Å; A163-K165 VanDerWaalsContact C-N 3.34Å; A163-K165 PolarHBondContact O-N 3.46Å; A163-S166 WeakPolarHBondContact O-CB 3.29Å; A163-S166 PolarHBondContact O-N 2.95Å; A163-S166 PolarHBondContact O-OG 3.22Å; A163-W167 HydrophobicContact CB-CH2 4.2Å; A163-W167 HydrophobicContact CB-CZ2 3.71Å; A163-W167 PolarHBondContact O-N 3.03Å; A163-W167 VanDerWaalsContact O-N 3.13Å; A163-W167 PolarHBondContact O-NE1 3.41Å; A163-L183 HydrophobicContact CB-CD1 3.88Å; A163-L183 HydrophobicContact CB-CD2 4.07Å; A163-L183 HydrophobicContact CB-CG 4.4Å
164V93.8Very high89.5Confident1 Ų155.2 Ų55.21%0.00630%0.302CS..Hα-helixtrans-60.2-43.6-179.8170.60000111.4V160 H161 S166 W167 L168 E450 V451 K454 C455V160-V164 HydrophobicContact CG1-CG2 4.38Å; V160-V164 WeakPolarHBondContact O-CB 3.36Å; V160-V164 WeakPolarHBondContact O-CG2 3.35Å; V160-V164 PolarHBondContact O-N 3.1Å; H161-V164 PolarHBondContact O-N 3.27Å; V164-S166 VanDerWaalsContact C-N 3.29Å; V164-S166 PolarHBondContact O-N 3.45Å; V164-W167 HydrophobicContact CB-CE3 4.35Å; V164-W167 HydrophobicContact CB-CZ3 4.39Å; V164-W167 HydrophobicContact CG2-CE3 3.93Å; V164-W167 HydrophobicContact CG2-CH2 4.13Å; V164-W167 HydrophobicContact CG2-CZ3 3.51Å; V164-W167 PolarHBondContact O-N 3.18Å; V164-L168 HydrophobicContact CG1-CD1 4.4Å; V164-L168 PolarHBondContact O-N 3.35Å; V164-E450 HydrophobicContact CB-CG 3.89Å; V164-E450 HydrophobicContact CG1-CG 4.08Å; V164-E450 HydrophobicContact CG2-CB 4.38Å; V164-E450 HydrophobicContact CG2-CG 3.7Å; V164-V451 HydrophobicContact CG2-CG2 3.85Å; V164-K454 HydrophobicContact CG1-CB 4.04Å; V164-C455 VanDerWaalsContact CG1-SG 3.54Å
165K93.1Very high89.7Confident127 Ų12755.3 Ų55.355%0.55230%0.298SS*.Hα-helixtrans-58.4-41.6174.2-174.6179-179.61790111.8H161 A163 W167 L168 V169H161-K165 VanDerWaalsContact O-CB 3.23Å; H161-K165 WeakPolarHBondContact O-CB 3.48Å; H161-K165 PolarHBondContact O-N 3.23Å; A163-K165 VanDerWaalsContact C-N 3.34Å; A163-K165 PolarHBondContact O-N 3.46Å; K165-W167 VanDerWaalsContact C-N 3.31Å; K165-W167 PolarHBondContact O-N 3.13Å; K165-L168 PolarHBondContact O-N 3.13Å; K165-V169 HydrophobicContact CG-CG2 4.49Å; K165-V169 WeakPolarHBondContact O-CG2 3.28Å; K165-V169 PolarHBondContact O-N 3.49Å
166S92.7Very high89.9Confident38 Ų3853.6 Ų53.627%0.26629%0.288SS..Hα-helixtrans-63.1-36.9177.978.60000112.7T162 A163 V164 L168 V169 Q170T162-S166 PolarHBondContact O-N 2.95Å; T162-S166 VanDerWaalsContact O-N 3.1Å; A163-S166 WeakPolarHBondContact O-CB 3.29Å; A163-S166 PolarHBondContact O-N 2.95Å; A163-S166 PolarHBondContact O-OG 3.22Å; V164-S166 VanDerWaalsContact C-N 3.29Å; V164-S166 PolarHBondContact O-N 3.45Å; S166-L168 VanDerWaalsContact C-N 3.27Å; S166-L168 PolarHBondContact O-N 3.24Å; S166-V169 PolarHBondContact O-N 2.9Å; S166-Q170 WeakPolarHBondContact O-CB 3.29Å; S166-Q170 WeakPolarHBondContact O-CG 3.22Å; S166-Q170 PolarHBondContact O-N 3.14Å; S166-Q170 VanDerWaalsContact O-N 3.15Å
167W92.9Very high90Very high7 Ų754.7 Ų54.73%0.02729%0.292CS..Hα-helixtrans-68.7-23.8178.3-54.9-22.4000113.5A163 V164 K165 V174 E179 M180 L183 F447 V451 F482A163-W167 HydrophobicContact CB-CH2 4.2Å; A163-W167 HydrophobicContact CB-CZ2 3.71Å; A163-W167 PolarHBondContact O-N 3.03Å; A163-W167 VanDerWaalsContact O-N 3.13Å; A163-W167 PolarHBondContact O-NE1 3.41Å; V164-W167 HydrophobicContact CB-CE3 4.35Å; V164-W167 HydrophobicContact CB-CZ3 4.39Å; V164-W167 HydrophobicContact CG2-CE3 3.93Å; V164-W167 HydrophobicContact CG2-CH2 4.13Å; V164-W167 HydrophobicContact CG2-CZ3 3.51Å; V164-W167 PolarHBondContact O-N 3.18Å; K165-W167 VanDerWaalsContact C-N 3.31Å; K165-W167 PolarHBondContact O-N 3.13Å; W167-V174 HydrophobicContact CB-CG2 4.04Å; W167-V174 HydrophobicContact CG-CG1 4.42Å; W167-V174 HydrophobicContact CG-CG2 4.18Å; W167-E179 HydrophobicContact CZ2-CB 4.42Å; W167-M180 HydrophobicContact CH2-CE 3.12Å; W167-M180 HydrophobicContact CH2-SD 4.49Å; W167-M180 HydrophobicContact CZ2-CE 3.36Å; W167-M180 HydrophobicContact CZ3-CE 3.93Å; W167-L183 HydrophobicContact CH2-CD2 4.16Å; W167-L183 HydrophobicContact CZ2-CD2 4.39Å; W167-F447 AromaticContact CH2-CE2 3.9Å; W167-F447 HydrophobicContact CH2-CE2 3.9Å; W167-F447 HydrophobicContact CZ3-CE2 4.12Å; W167-V451 HydrophobicContact CZ3-CG2 4.18Å; W167-F482 HydrophobicContact CB-CB 4.49Å; W167-F482 HydrophobicContact CB-CD2 4.26Å; W167-F482 HydrophobicContact CB-CG 4.36Å; W167-F482 HydrophobicContact CE3-CE1 4.34Å; W167-F482 HydrophobicContact CE3-CZ 4.29Å
168L90.3Very high90Very high51 Ų5156.2 Ų56.227%0.26730%0.303SS..Hα-helixtrans-88.3-28.2178.7-69.6174.1000113.4V164 K165 S166 K454 F482V164-L168 HydrophobicContact CG1-CD1 4.4Å; V164-L168 PolarHBondContact O-N 3.35Å; K165-L168 PolarHBondContact O-N 3.13Å; S166-L168 VanDerWaalsContact C-N 3.27Å; S166-L168 PolarHBondContact O-N 3.24Å; L168-K454 HydrophobicContact CD1-CB 4.42Å; L168-F482 HydrophobicContact CD2-CB 4.29Å
169V85.7Confident90.1Very high114 Ų11453.6 Ų53.669%0.69129%0.291SS*.Hα-helixtrans-87-34.2-177.8173.60000111.8K165 S166 D171K165-V169 HydrophobicContact CG-CG2 4.49Å; K165-V169 WeakPolarHBondContact O-CG2 3.28Å; K165-V169 PolarHBondContact O-N 3.49Å; S166-V169 PolarHBondContact O-N 2.9Å; V169-D171 PolarHBondContact O-N 3.35Å
170Q70.6Confident90.2Very high122 Ų12252.8 Ų52.857%0.5729%0.287SS*.SBendtrans-81.1116.3179.2-64.117910.400109.1S166 P172S166-Q170 WeakPolarHBondContact O-CB 3.29Å; S166-Q170 WeakPolarHBondContact O-CG 3.22Å; S166-Q170 PolarHBondContact O-N 3.14Å; S166-Q170 VanDerWaalsContact O-N 3.15Å; Q170-P172 VanDerWaalsContact C-N 3.28Å; Q170-P172 WeakPolarHBondContact O-CD 3.45Å
171D66.2Low90.1Very high144 Ų14454.1 Ų54.177%0.7729%0.292SS*.  trans-8760.2172.1-163.918.6000111.9V169V169-D171 PolarHBondContact O-N 3.35Å
172P73Confident90.1Very high85 Ų8554.7 Ų54.755%0.55229%0.291SS*.SBendtrans-135.2166.2140.430.4-13.9000113.2Q170 V174Q170-P172 VanDerWaalsContact C-N 3.28Å; Q170-P172 WeakPolarHBondContact O-CD 3.45Å; P172-V174 PolarHBondContact O-N 2.94Å
173C90.4Very high90.1Very high56 Ų5651 Ų5138%0.37827%0.268SS..  trans-39.4127166.4167.70000113.1L460 P479C173-L460 HydrophobicContact CB-CD1 3.73Å; C173-L460 VanDerWaalsContact SG-CD1 3.52Å; C173-P479 WeakPolarHBondContact SG-CB 3.49Å
174V94.9Very high90.2Very high13 Ų1351 Ų518%0.07927%0.268CS..EExtended strand (participates in β ladder)trans-89.4126.6173.8177.40000109.9W167 P172 V176 E179 T480 F482W167-V174 HydrophobicContact CB-CG2 4.04Å; W167-V174 HydrophobicContact CG-CG1 4.42Å; W167-V174 HydrophobicContact CG-CG2 4.18Å; P172-V174 PolarHBondContact O-N 2.94Å; V174-V176 HydrophobicContact CG1-CG2 4.43Å; V174-V176 PolarHBondContact O-N 3.33Å; V174-E179 HydrophobicContact CG1-CB 4.28Å; V174-E179 HydrophobicContact CG1-CG 3.74Å; V174-T480 PolarHBondContact N-O 3.21Å; V174-T480 PolarHBondContact O-N 2.82Å; V174-F482 HydrophobicContact CB-CD2 4Å; V174-F482 HydrophobicContact CB-CE2 3.93Å; V174-F482 HydrophobicContact CG1-CE2 4.15Å; V174-F482 HydrophobicContact CG2-CD2 3.92Å; V174-F482 HydrophobicContact CG2-CE2 4.31Å
175L96.3Very high90.2Very high77 Ų7751 Ų5140%0.40327%0.268SS..EExtended strand (participates in β ladder)trans-81.295.7166.8-60.3-176.8000108.5Y177 P178 E179 N477 P479L175-Y177 PolarHBondContact O-N 3.36Å; L175-P178 HydrophobicContact CB-CG 4.05Å; L175-P178 WeakPolarHBondContact O-CD 3.17Å; L175-E179 PolarHBondContact O-N 2.91Å; L175-N477 CarbonylContact C-O 3.28Å; L175-N477 HydrophobicContact CB-CB 4.32Å; L175-N477 HydrophobicContact CD2-CB 4.5Å; L175-P479 HydrophobicContact CD2-CB 4.15Å; L175-P479 HydrophobicContact CD2-CG 3.97Å
176V97Very high90.1Very high0 Ų046.9 Ų46.90%025%0.249CC..Hα-helixtrans-60.6-42.1-168.2173.90000112.2V174 E179 M180 T304 I307 N477 L478 T480 F482V174-V176 HydrophobicContact CG1-CG2 4.43Å; V174-V176 PolarHBondContact O-N 3.33Å; V176-E179 PolarHBondContact O-N 3.35Å; V176-M180 HydrophobicContact CG1-CE 4.22Å; V176-M180 HydrophobicContact CG1-CG 3.87Å; V176-M180 WeakPolarHBondContact O-CB 3.27Å; V176-M180 VanDerWaalsContact O-CG 3.28Å; V176-M180 WeakPolarHBondContact O-CG 3.38Å; V176-M180 PolarHBondContact O-N 3.48Å; V176-T304 HydrophobicContact CG1-CG2 4.19Å; V176-I307 HydrophobicContact CG1-CB 4.1Å; V176-I307 HydrophobicContact CG1-CG1 4.08Å; V176-I307 HydrophobicContact CG1-CG2 4.14Å; V176-I307 HydrophobicContact CG2-CG2 4.09Å; V176-N477 PolarHBondContact N-O 3.17Å; V176-L478 HydrophobicContact CB-CB 4.19Å; V176-L478 HydrophobicContact CB-CD2 3.96Å; V176-L478 HydrophobicContact CB-CG 4.32Å; V176-L478 HydrophobicContact CG1-CD2 4Å; V176-L478 HydrophobicContact CG2-CD2 4.27Å; V176-L478 HydrophobicContact CG2-CG 4.48Å; V176-L478 WeakPolarHBondContact CG2-O 3.15Å; V176-L478 PolarHBondContact N-O 3.2Å; V176-T480 HydrophobicContact CG2-CG2 4.34Å; V176-T480 VanDerWaalsContact CG2-OG1 3.29Å; V176-T480 WeakPolarHBondContact CG2-OG1 3.36Å; V176-F482 HydrophobicContact CG2-CE2 3.99Å; V176-F482 HydrophobicContact CG2-CZ 4.14Å
177Y96.4Very high90.2Very high22 Ų2245.1 Ų45.19%0.08624%0.237CC..Hα-helixtrans-63.6-50.9-175.2-179.3-123.4000113L175 E179 M180 K181 T304 Y473 P474 N477L175-Y177 PolarHBondContact O-N 3.36Å; Y177-E179 VanDerWaalsContact C-N 3.35Å; Y177-E179 PolarHBondContact O-N 3.11Å; Y177-M180 PolarHBondContact O-N 2.86Å; Y177-K181 HydrophobicContact CE1-CD 4.18Å; Y177-K181 HydrophobicContact CE2-CD 4.3Å; Y177-K181 HydrophobicContact CE2-CG 4.23Å; Y177-K181 WeakPolarHBondContact O-CG 3.47Å; Y177-K181 PolarHBondContact O-N 2.83Å; Y177-T304 HydrophobicContact CD2-CG2 4.21Å; Y177-Y473 HydrophobicContact CE1-CD2 4.44Å; Y177-Y473 HydrophobicContact CE1-CG 4.16Å; Y177-Y473 VanDerWaalsContact CZ-CB 3.44Å; Y177-P474 HydrophobicContact CG-CG 4.43Å; Y177-N477 PolarHBondContact N-O 2.77Å; Y177-N477 VanDerWaalsContact N-O 3.08Å
178P94.3Very high90.2Very high44 Ų4444.9 Ų44.929%0.28624%0.236SC..Hα-helixtrans-55.3-43.3170.5-27.933.6000114.3L175 K181 R182 N477L175-P178 HydrophobicContact CB-CG 4.05Å; L175-P178 WeakPolarHBondContact O-CD 3.17Å; P178-K181 WeakPolarHBondContact O-CB 3.49Å; P178-K181 PolarHBondContact O-N 3.42Å; P178-R182 PolarHBondContact O-N 3.49Å; P178-N477 HydrophobicContact CG-CB 4.18Å
179E94.3Very high90.2Very high43 Ų4342.6 Ų42.620%0.20122%0.224CC..Hα-helixtrans-67.4-38.7179.7-70.6-49.6133.800112.6W167 V174 L175 V176 Y177 K181 R182 L183W167-E179 HydrophobicContact CZ2-CB 4.42Å; V174-E179 HydrophobicContact CG1-CB 4.28Å; V174-E179 HydrophobicContact CG1-CG 3.74Å; L175-E179 PolarHBondContact O-N 2.91Å; V176-E179 PolarHBondContact O-N 3.35Å; Y177-E179 VanDerWaalsContact C-N 3.35Å; Y177-E179 PolarHBondContact O-N 3.11Å; E179-K181 VanDerWaalsContact C-N 3.33Å; E179-K181 PolarHBondContact O-N 3.48Å; E179-R182 PolarHBondContact O-N 3.49Å; E179-R182 IonicContact OE1-CZ 2.72Å; E179-R182 IonicContact OE1-NH1 3.63Å; E179-R182 PolarHBondContact OE1-NH1 3.09Å; E179-R182 IonicContact OE1-NH2 2.88Å; E179-R182 IonicContact OE2-CZ 3.27Å; E179-R182 IonicContact OE2-NH1 3.95Å; E179-R182 PolarHBondContact OE2-NH1 3.11Å; E179-L183 WeakPolarHBondContact O-CB 3.16Å; E179-L183 PolarHBondContact O-N 3.27Å
180M96.6Very high90.5Very high1 Ų138.8 Ų38.81%0.00520%0.198CC..Hα-helixtrans-61.6-42.7172.7-71.5-51.1103.700111.1W167 V176 Y177 L183 M184 A300 A303 T304 F447W167-M180 HydrophobicContact CH2-CE 3.12Å; W167-M180 HydrophobicContact CH2-SD 4.49Å; W167-M180 HydrophobicContact CZ2-CE 3.36Å; W167-M180 HydrophobicContact CZ3-CE 3.93Å; V176-M180 HydrophobicContact CG1-CE 4.22Å; V176-M180 HydrophobicContact CG1-CG 3.87Å; V176-M180 WeakPolarHBondContact O-CB 3.27Å; V176-M180 VanDerWaalsContact O-CG 3.28Å; V176-M180 WeakPolarHBondContact O-CG 3.38Å; V176-M180 PolarHBondContact O-N 3.48Å; Y177-M180 PolarHBondContact O-N 2.86Å; M180-L183 PolarHBondContact O-N 3.33Å; M180-M184 WeakPolarHBondContact O-CB 3.36Å; M180-M184 WeakPolarHBondContact O-CG 3.33Å; M180-M184 PolarHBondContact O-N 3.31Å; M180-A300 HydrophobicContact CB-CB 4.13Å; M180-A303 HydrophobicContact CG-CB 4.09Å; M180-A303 HydrophobicContact SD-CB 3.6Å; M180-A303 VanDerWaalsContact SD-CB 3.6Å; M180-T304 WeakPolarHBondContact CB-OG1 3.26Å; M180-T304 VanDerWaalsContact CG-OG1 3.29Å; M180-T304 WeakPolarHBondContact CG-OG1 3.31Å; M180-F447 HydrophobicContact CE-CE2 3.98Å; M180-F447 HydrophobicContact CE-CZ 4.03Å; M180-F447 HydrophobicContact SD-CE1 4.39Å; M180-F447 HydrophobicContact SD-CE2 3.71Å; M180-F447 HydrophobicContact SD-CZ 3.53Å; M180-F447 VanDerWaalsContact SD-CZ 3.53Å
181K94Very high91.5Very high28 Ų2833.2 Ų33.212%0.12217%0.171CC..Hα-helixtrans-58.5-50.3175.6-70.5-174.775.4-170.50111Y177 P178 E179 L183 M184 F185 E212 H296 E297 A300Y177-K181 HydrophobicContact CE1-CD 4.18Å; Y177-K181 HydrophobicContact CE2-CD 4.3Å; Y177-K181 HydrophobicContact CE2-CG 4.23Å; Y177-K181 WeakPolarHBondContact O-CG 3.47Å; Y177-K181 PolarHBondContact O-N 2.83Å; P178-K181 WeakPolarHBondContact O-CB 3.49Å; P178-K181 PolarHBondContact O-N 3.42Å; E179-K181 VanDerWaalsContact C-N 3.33Å; E179-K181 PolarHBondContact O-N 3.48Å; K181-L183 PolarHBondContact O-N 3.4Å; K181-M184 PolarHBondContact O-N 2.82Å; K181-F185 WeakPolarHBondContact O-CB 3.36Å; K181-F185 PolarHBondContact O-N 2.86Å; K181-E212 IonicContact NZ-OE1 2.7Å; K181-E212 PolarHBondContact NZ-OE1 3.19Å; K181-H296 VanDerWaalsContact CE-CE1 3.47Å; K181-H296 WeakPolarHBondContact CE-CE1 3.13Å; K181-H296 PolarHBondContact O-CD2 3.25Å; K181-H296 PolarHBondContact O-NE2 2.91Å; K181-E297 WeakPolarHBondContact CE-OE1 3Å; K181-E297 IonicContact NZ-OE1 2.81Å; K181-E297 PolarHBondContact NZ-OE1 2.76Å; K181-A300 HydrophobicContact CG-CB 4.03Å
182R92.1Very high92.6Very high95 Ų9526.4 Ų26.436%0.35814%0.135SC..Hα-helixtrans-58.8-46.9178.7-166.5-173-70.9134.6-2.5112.1P178 E179 F185 R186P178-R182 PolarHBondContact O-N 3.49Å; E179-R182 PolarHBondContact O-N 3.49Å; E179-R182 IonicContact OE1-CZ 2.72Å; E179-R182 IonicContact OE1-NH1 3.63Å; E179-R182 PolarHBondContact OE1-NH1 3.09Å; E179-R182 IonicContact OE1-NH2 2.88Å; E179-R182 IonicContact OE2-CZ 3.27Å; E179-R182 IonicContact OE2-NH1 3.95Å; E179-R182 PolarHBondContact OE2-NH1 3.11Å; R182-F185 WeakPolarHBondContact O-CB 3.45Å; R182-F185 PolarHBondContact O-N 2.65Å; R182-R186 VanDerWaalsContact CD-NH1 3.32Å; R182-R186 PolarHBondContact O-N 2.88Å
183L94.4Very high93.4Very high0 Ų022.4 Ų22.40%011%0.109CC..Hα-helixtrans-59.1-50.9177.3173.856.9000111.8E159 V160 A163 W167 E179 M180 K181 F185 R186 I187 F447E159-L183 HydrophobicContact CB-CD1 3.97Å; E159-L183 WeakPolarHBondContact O-CD1 3.11Å; V160-L183 HydrophobicContact CG2-CD2 4.39Å; A163-L183 HydrophobicContact CB-CD1 3.88Å; A163-L183 HydrophobicContact CB-CD2 4.07Å; A163-L183 HydrophobicContact CB-CG 4.4Å; W167-L183 HydrophobicContact CH2-CD2 4.16Å; W167-L183 HydrophobicContact CZ2-CD2 4.39Å; E179-L183 WeakPolarHBondContact O-CB 3.16Å; E179-L183 PolarHBondContact O-N 3.27Å; M180-L183 PolarHBondContact O-N 3.33Å; K181-L183 PolarHBondContact O-N 3.4Å; L183-F185 PolarHBondContact O-N 3.49Å; L183-R186 PolarHBondContact O-N 3.05Å; L183-I187 HydrophobicContact CD1-CD1 3.73Å; L183-I187 HydrophobicContact CD1-CG1 4.16Å; L183-I187 HydrophobicContact CG-CD1 3.96Å; L183-I187 WeakPolarHBondContact O-CG1 3.23Å; L183-I187 PolarHBondContact O-N 3.49Å; L183-F447 HydrophobicContact CD2-CD2 4.29Å; L183-F447 HydrophobicContact CD2-CE2 4.4Å
184M95.5Very high93.3Very high2 Ų220.4 Ų20.41%0.0110%0.098CC..Hα-helixtrans-66-29.6-179.3-62.3-54.3167.600112.3M180 K181 I187 A188 T299 A300 A303 L443M180-M184 WeakPolarHBondContact O-CB 3.36Å; M180-M184 WeakPolarHBondContact O-CG 3.33Å; M180-M184 PolarHBondContact O-N 3.31Å; K181-M184 PolarHBondContact O-N 2.82Å; M184-I187 HydrophobicContact SD-CD1 4.34Å; M184-A188 WeakPolarHBondContact O-CB 3.21Å; M184-A188 PolarHBondContact O-N 3.23Å; M184-T299 WeakPolarHBondContact CG-OG1 3.37Å; M184-A300 HydrophobicContact CB-CB 4.2Å; M184-A300 HydrophobicContact CG-CB 3.84Å; M184-A303 HydrophobicContact CE-CB 3.55Å; M184-L443 HydrophobicContact CE-CD2 4.09Å; M184-L443 HydrophobicContact SD-CD1 4.26Å; M184-L443 HydrophobicContact SD-CD2 3.65Å; M184-L443 HydrophobicContact SD-CG 4.35Å
185F92.7Very high92.9Very high3 Ų320.7 Ų20.71%0.01310%0.098CC..Hα-helixtrans-66.6-50.2176-175.9-96.3000110.4K181 R182 L183 I187 A188 M189 L207 V208 F211 L292 H296K181-F185 WeakPolarHBondContact O-CB 3.36Å; K181-F185 PolarHBondContact O-N 2.86Å; R182-F185 WeakPolarHBondContact O-CB 3.45Å; R182-F185 PolarHBondContact O-N 2.65Å; L183-F185 PolarHBondContact O-N 3.49Å; F185-I187 PolarHBondContact O-N 3.32Å; F185-A188 PolarHBondContact O-N 3.4Å; F185-M189 HydrophobicContact CD1-CG 3.85Å; F185-M189 HydrophobicContact CE1-CG 3.47Å; F185-M189 VanDerWaalsContact CE1-CG 3.47Å; F185-M189 HydrophobicContact CE1-SD 4.07Å; F185-M189 HydrophobicContact CE2-CG 4.27Å; F185-M189 HydrophobicContact CE2-SD 4.29Å; F185-M189 HydrophobicContact CG-CG 4.4Å; F185-M189 HydrophobicContact CZ-CG 3.7Å; F185-M189 HydrophobicContact CZ-SD 3.72Å; F185-M189 WeakPolarHBondContact O-CB 3.42Å; F185-M189 VanDerWaalsContact O-CG 3.26Å; F185-M189 WeakPolarHBondContact O-CG 3.43Å; F185-M189 PolarHBondContact O-N 3.37Å; F185-L207 HydrophobicContact CE1-CB 4.21Å; F185-L207 HydrophobicContact CZ-CB 3.96Å; F185-V208 HydrophobicContact CD1-CG2 3.37Å; F185-V208 HydrophobicContact CE1-CG2 3.5Å; F185-V208 VanDerWaalsContact CE1-CG2 3.5Å; F185-V208 HydrophobicContact CG-CG2 3.94Å; F185-V208 HydrophobicContact CZ-CG2 4.16Å; F185-F211 AromaticContact CD2-CD1 3.55Å; F185-F211 HydrophobicContact CD2-CD1 3.55Å; F185-F211 AromaticContact CD2-CE1 3.85Å; F185-F211 HydrophobicContact CD2-CE1 3.85Å; F185-F211 HydrophobicContact CD2-CG 4.24Å; F185-F211 HydrophobicContact CE2-CB 3.78Å; F185-F211 AromaticContact CE2-CD1 3.52Å; F185-F211 HydrophobicContact CE2-CD1 3.52Å; F185-F211 HydrophobicContact CE2-CE1 4.09Å; F185-F211 AromaticContact CE2-CG 3.73Å; F185-F211 HydrophobicContact CE2-CG 3.73Å; F185-F211 HydrophobicContact CZ-CB 4.48Å; F185-L292 HydrophobicContact CD2-CD1 4.22Å; F185-L292 HydrophobicContact CE2-CD1 4.13Å; F185-L292 HydrophobicContact CE2-CD2 4.08Å; F185-L292 HydrophobicContact CE2-CG 4.48Å; F185-H296 PolarHBondContact N-CD2 2.97Å
186R92Very high92.1Very high40 Ų4020.9 Ų20.915%0.15110%0.099CC..Hα-helixtrans-58.5-46.1177-72.5-163.3-62-97.5-1112.2E159 R182 L183 A188 M189 R190 E204E159-R186 WeakPolarHBondContact OE2-CB 3.44Å; E159-R186 WeakPolarHBondContact OE2-CD 3.4Å; E159-R186 IonicContact OE2-CZ 2.67Å; E159-R186 IonicContact OE2-NE 3.11Å; E159-R186 PolarHBondContact OE2-NE 2.92Å; R182-R186 VanDerWaalsContact CD-NH1 3.32Å; R182-R186 PolarHBondContact O-N 2.88Å; L183-R186 PolarHBondContact O-N 3.05Å; R186-A188 PolarHBondContact O-N 3.2Å; R186-M189 PolarHBondContact O-N 3.49Å; R186-R190 WeakPolarHBondContact O-CG 3.44Å; R186-R190 PolarHBondContact O-N 3.34Å; R186-E204 VanDerWaalsContact CD-OE1 3.29Å; R186-E204 WeakPolarHBondContact CD-OE1 3.38Å; R186-E204 VanDerWaalsContact CG-OE1 3.3Å; R186-E204 WeakPolarHBondContact CG-OE1 2.92Å; R186-E204 IonicContact NH1-OE1 3.93Å; R186-E204 PolarHBondContact NH1-OE1 3.34Å
187I94.1Very high91Very high1 Ų123 Ų231%0.00511%0.113CC..Hα-helixtrans-59.4-47.8176.8-66.5170.1000110.8I156 E159 V160 L183 M184 F185 M189 R190 I191 F439 L443I156-I187 HydrophobicContact CG1-CG2 4.12Å; I156-I187 HydrophobicContact CG2-CD1 4.42Å; E159-I187 HydrophobicContact CB-CD1 4.12Å; E159-I187 HydrophobicContact CB-CG1 3.52Å; E159-I187 HydrophobicContact CG-CG1 3.85Å; V160-I187 HydrophobicContact CG2-CD1 4.09Å; L183-I187 HydrophobicContact CD1-CD1 3.73Å; L183-I187 HydrophobicContact CD1-CG1 4.16Å; L183-I187 HydrophobicContact CG-CD1 3.96Å; L183-I187 WeakPolarHBondContact O-CG1 3.23Å; L183-I187 PolarHBondContact O-N 3.49Å; M184-I187 HydrophobicContact SD-CD1 4.34Å; F185-I187 PolarHBondContact O-N 3.32Å; I187-M189 PolarHBondContact O-N 3.43Å; I187-R190 PolarHBondContact O-N 3.21Å; I187-I191 HydrophobicContact CG2-CD1 3.48Å; I187-I191 VanDerWaalsContact CG2-CD1 3.48Å; I187-I191 HydrophobicContact CG2-CG1 4.32Å; I187-I191 WeakPolarHBondContact O-CB 3.38Å; I187-I191 WeakPolarHBondContact O-CG1 3.34Å; I187-I191 PolarHBondContact O-N 3.09Å; I187-F439 HydrophobicContact CG2-CZ 4.3Å; I187-L443 HydrophobicContact CB-CD1 4.35Å; I187-L443 HydrophobicContact CD1-CD1 3.81Å; I187-L443 HydrophobicContact CG2-CD1 3.54Å
188A93.1Very high89.9Confident2 Ų227.4 Ų27.42%0.01714%0.135CC..Hα-helixtrans-64-40179.600000112.3M184 F185 R186 R190 L192 L193 L292M184-A188 WeakPolarHBondContact O-CB 3.21Å; M184-A188 PolarHBondContact O-N 3.23Å; F185-A188 PolarHBondContact O-N 3.4Å; R186-A188 PolarHBondContact O-N 3.2Å; A188-R190 PolarHBondContact O-N 2.85Å; A188-L192 HydrophobicContact CB-CD1 3.91Å; A188-L192 HydrophobicContact CB-CG 4.39Å; A188-L192 WeakPolarHBondContact O-CA 3.49Å; A188-L192 WeakPolarHBondContact O-CB 3.16Å; A188-L192 PolarHBondContact O-N 3.24Å; A188-L193 PolarHBondContact O-N 3.24Å; A188-L292 HydrophobicContact CB-CD1 3.58Å
189M91.3Very high88.8Confident3 Ų330.6 Ų30.62%0.01514%0.141CC..Hα-helixtrans-61.2-43.5176-74.4-65-60.900112.1F185 R186 I187 L193 G194 F195 I200 L207 L292F185-M189 HydrophobicContact CD1-CG 3.85Å; F185-M189 HydrophobicContact CE1-CG 3.47Å; F185-M189 VanDerWaalsContact CE1-CG 3.47Å; F185-M189 HydrophobicContact CE1-SD 4.07Å; F185-M189 HydrophobicContact CE2-CG 4.27Å; F185-M189 HydrophobicContact CE2-SD 4.29Å; F185-M189 HydrophobicContact CG-CG 4.4Å; F185-M189 HydrophobicContact CZ-CG 3.7Å; F185-M189 HydrophobicContact CZ-SD 3.72Å; F185-M189 WeakPolarHBondContact O-CB 3.42Å; F185-M189 VanDerWaalsContact O-CG 3.26Å; F185-M189 WeakPolarHBondContact O-CG 3.43Å; F185-M189 PolarHBondContact O-N 3.37Å; R186-M189 PolarHBondContact O-N 3.49Å; I187-M189 PolarHBondContact O-N 3.43Å; M189-L193 HydrophobicContact CE-CD1 4.38Å; M189-L193 CarbonylContact O-C 3.49Å; M189-L193 WeakPolarHBondContact O-CB 3.06Å; M189-L193 PolarHBondContact O-N 3.05Å; M189-L193 HydrophobicContact SD-CD1 3.72Å; M189-G194 PolarHBondContact O-N 3.35Å; M189-G194 VanDerWaalsContact O-N 3.11Å; M189-F195 HydrophobicContact CE-CB 4.14Å; M189-F195 HydrophobicContact CE-CD1 3.76Å; M189-F195 HydrophobicContact CE-CD2 3.4Å; M189-F195 HydrophobicContact CE-CE1 3.91Å; M189-F195 HydrophobicContact CE-CE2 3.55Å; M189-F195 HydrophobicContact CE-CG 3.5Å; M189-F195 HydrophobicContact CE-CZ 3.8Å; M189-F195 PolarHBondContact O-N 2.93Å; M189-F195 VanDerWaalsContact O-N 3.09Å; M189-I200 HydrophobicContact CB-CD1 3.87Å; M189-I200 HydrophobicContact CB-CG1 4.37Å; M189-L207 HydrophobicContact CE-CD1 3.87Å; M189-L292 HydrophobicContact CG-CD1 4.36Å; M189-L292 HydrophobicContact SD-CD1 4.13Å; M189-L292 HydrophobicContact SD-CD2 4.12Å
190R91.6Very high87.8Confident34 Ų3428.8 Ų28.813%0.12813%0.133CC..Hα-helixtrans-72.9-46179.5-67.7-178.267-173.7-0.5112.4V155 E158 E159 R186 I187 A188 G194 I200V155-R190 HydrophobicContact CG1-CB 3.82Å; E158-R190 VanDerWaalsContact CD-NH1 3.35Å; E158-R190 IonicContact OE1-NH1 2.73Å; E158-R190 IonicContact OE2-CZ 2.9Å; E158-R190 VanDerWaalsContact OE2-CZ 3.23Å; E158-R190 IonicContact OE2-NH1 3.95Å; E158-R190 PolarHBondContact OE2-NH1 3.28Å; E158-R190 IonicContact OE2-NH2 3.8Å; E158-R190 PolarHBondContact OE2-NH2 3.1Å; E159-R190 WeakPolarHBondContact OE1-CD 3.47Å; E159-R190 IonicContact OE1-CZ 3.77Å; E159-R190 IonicContact OE1-NE 3.43Å; E159-R190 IonicContact OE1-NH1 3.83Å; E159-R190 PolarHBondContact OE1-NH1 3.41Å; R186-R190 WeakPolarHBondContact O-CG 3.44Å; R186-R190 PolarHBondContact O-N 3.34Å; I187-R190 PolarHBondContact O-N 3.21Å; A188-R190 PolarHBondContact O-N 2.85Å; R190-G194 WeakPolarHBondContact O-CA 3.26Å; R190-G194 PolarHBondContact O-N 3.46Å; R190-G194 VanDerWaalsContact O-N 3.11Å; R190-I200 HydrophobicContact CG-CD1 3.47Å; R190-I200 VanDerWaalsContact CG-CD1 3.47Å
191I92.1Very high86.6Confident4 Ų436.9 Ų36.92%0.02116%0.163CC..Hα-helixtrans-87.8-41.9-170.7-64.1175000112.7Y152 V155 I156 I187 D263 A264 F439Y152-I191 HydrophobicContact CD1-CG2 3.61Å; Y152-I191 HydrophobicContact CD2-CG2 3.33Å; Y152-I191 HydrophobicContact CE1-CG2 3.86Å; Y152-I191 HydrophobicContact CE2-CG2 3.59Å; Y152-I191 HydrophobicContact CG-CG2 3.36Å; V155-I191 HydrophobicContact CB-CD1 4.18Å; V155-I191 HydrophobicContact CB-CG1 4.06Å; V155-I191 HydrophobicContact CG1-CD1 4.03Å; V155-I191 HydrophobicContact CG1-CG1 3.66Å; I156-I191 HydrophobicContact CD1-CD1 4.05Å; I156-I191 HydrophobicContact CG1-CD1 3.34Å; I187-I191 HydrophobicContact CG2-CD1 3.48Å; I187-I191 VanDerWaalsContact CG2-CD1 3.48Å; I187-I191 HydrophobicContact CG2-CG1 4.32Å; I187-I191 WeakPolarHBondContact O-CB 3.38Å; I187-I191 WeakPolarHBondContact O-CG1 3.34Å; I187-I191 PolarHBondContact O-N 3.09Å; I191-D263 VanDerWaalsContact O-CB 3.31Å; I191-D263 WeakPolarHBondContact O-CB 3.4Å; I191-A264 PolarHBondContact O-N 3.35Å; I191-F439 HydrophobicContact CD1-CE2 4.11Å; I191-F439 HydrophobicContact CD1-CZ 4.46Å; I191-F439 HydrophobicContact CG2-CE2 3.89Å; I191-F439 HydrophobicContact CG2-CZ 4.46Å
192L89.4Confident85.7Confident2 Ų241.1 Ų41.11%0.0119%0.192CC..THydrogen-bonded Turntrans-87.2-33.8-175.2-52.6179.5000111.5F144 A188 A264 L265 L291F144-L192 HydrophobicContact CE1-CD2 3.76Å; F144-L192 HydrophobicContact CZ-CD2 3.94Å; A188-L192 HydrophobicContact CB-CD1 3.91Å; A188-L192 HydrophobicContact CB-CG 4.39Å; A188-L192 WeakPolarHBondContact O-CA 3.49Å; A188-L192 WeakPolarHBondContact O-CB 3.16Å; A188-L192 PolarHBondContact O-N 3.24Å; L192-A264 HydrophobicContact CD2-CB 4.17Å; L192-L265 WeakPolarHBondContact O-CB 3.39Å; L192-L265 PolarHBondContact O-N 3.32Å; L192-L291 HydrophobicContact CB-CB 4.27Å; L192-L291 HydrophobicContact CD1-CB 4.17Å; L192-L291 VanDerWaalsContact CD1-O 3.27Å; L192-L291 WeakPolarHBondContact CD1-O 3.44Å
193L89.6Confident85Confident1 Ų138.5 Ų38.51%0.00518%0.184CC..SBendtrans-109-12.3-177.3-55.6-170.5000113.4A188 M189 F195 I244 N247 K251 L265 A288 L292A188-L193 PolarHBondContact O-N 3.24Å; M189-L193 HydrophobicContact CE-CD1 4.38Å; M189-L193 CarbonylContact O-C 3.49Å; M189-L193 WeakPolarHBondContact O-CB 3.06Å; M189-L193 PolarHBondContact O-N 3.05Å; M189-L193 HydrophobicContact SD-CD1 3.72Å; L193-F195 VanDerWaalsContact C-N 3.29Å; L193-F195 HydrophobicContact CB-CD2 3.55Å; L193-F195 HydrophobicContact CB-CE2 3.83Å; L193-F195 HydrophobicContact CD1-CD2 4.42Å; L193-F195 HydrophobicContact CD1-CE2 4.07Å; L193-F195 PolarHBondContact O-N 3.46Å; L193-I244 HydrophobicContact CD1-CD1 4.26Å; L193-I244 HydrophobicContact CD1-CG1 4.13Å; L193-N247 PolarHBondContact O-ND2 3Å; L193-K251 WeakPolarHBondContact O-CE 3.27Å; L193-L265 VanDerWaalsContact O-CD2 3.26Å; L193-L265 WeakPolarHBondContact O-CD2 3.47Å; L193-A288 HydrophobicContact CD2-CB 3.48Å; L193-A288 VanDerWaalsContact CD2-CB 3.48Å; L193-L292 HydrophobicContact CD1-CB 4.37Å; L193-L292 HydrophobicContact CD1-CD2 4.04Å
194G87.1Confident84.4Confident13 Ų1340.1 Ų40.113%0.13419%0.192CC..  trans66.330.6177.100000113.5M189 R190 K251 D263M189-G194 PolarHBondContact O-N 3.35Å; M189-G194 VanDerWaalsContact O-N 3.11Å; R190-G194 WeakPolarHBondContact O-CA 3.26Å; R190-G194 PolarHBondContact O-N 3.46Å; R190-G194 VanDerWaalsContact O-N 3.11Å; G194-K251 VanDerWaalsContact O-CE 3.23Å; G194-K251 WeakPolarHBondContact O-CE 3.41Å; G194-K251 PolarHBondContact O-NZ 2.97Å; G194-D263 VanDerWaalsContact CA-CG 3.41Å
195F86.9Confident83.8Confident20 Ų2045.2 Ų45.29%0.08822%0.216CC..  trans-74.3142.1174-86.2-106.9000111M189 L193 I200 K243 N247M189-F195 HydrophobicContact CE-CB 4.14Å; M189-F195 HydrophobicContact CE-CD1 3.76Å; M189-F195 HydrophobicContact CE-CD2 3.4Å; M189-F195 HydrophobicContact CE-CE1 3.91Å; M189-F195 HydrophobicContact CE-CE2 3.55Å; M189-F195 HydrophobicContact CE-CG 3.5Å; M189-F195 HydrophobicContact CE-CZ 3.8Å; M189-F195 PolarHBondContact O-N 2.93Å; M189-F195 VanDerWaalsContact O-N 3.09Å; L193-F195 VanDerWaalsContact C-N 3.29Å; L193-F195 HydrophobicContact CB-CD2 3.55Å; L193-F195 HydrophobicContact CB-CE2 3.83Å; L193-F195 HydrophobicContact CD1-CD2 4.42Å; L193-F195 HydrophobicContact CD1-CE2 4.07Å; L193-F195 PolarHBondContact O-N 3.46Å; F195-I200 HydrophobicContact CB-CD1 3.66Å; F195-I200 HydrophobicContact CB-CG1 3.56Å; F195-I200 HydrophobicContact CD1-CG1 4.42Å; F195-I200 HydrophobicContact CG-CG1 4.34Å; F195-K243 HydrophobicContact CZ-CB 4.31Å; F195-N247 HydrophobicContact CD2-CB 4.44Å; F195-N247 WeakPolarHBondContact CD2-ND2 3.45Å; F195-N247 HydrophobicContact CE1-CB 4.29Å; F195-N247 HydrophobicContact CE2-CB 3.94Å; F195-N247 HydrophobicContact CZ-CB 3.85Å
196D78.6Confident83.7Confident80 Ų8050.2 Ų50.243%0.42824%0.239SC..  trans-71.6136.5173.8-173.7-72.5000111E198 R199 I200D196-E198 VanDerWaalsContact C-N 3.31Å; D196-E198 PolarHBondContact O-N 2.93Å; D196-E198 WeakPolarHBondContact OD1-CB 3.37Å; D196-E198 PolarHBondContact OD1-N 3.03Å; D196-R199 HydrophobicContact CB-CB 4.32Å; D196-R199 HydrophobicContact CB-CG 4.33Å; D196-R199 PolarHBondContact O-N 3.09Å; D196-R199 VanDerWaalsContact O-N 3.17Å; D196-I200 WeakPolarHBondContact O-CG1 3.37Å; D196-I200 PolarHBondContact O-N 3.34Å
197P74.2Confident83.5Confident45 Ų4548.5 Ų48.529%0.29223%0.233SC..Hα-helixtrans-51.3-43178.2-26.534.4000114.5R199 I200 R201P197-R199 VanDerWaalsContact C-N 3.34Å; P197-R199 PolarHBondContact O-N 3.3Å; P197-I200 PolarHBondContact O-N 2.73Å; P197-R201 VanDerWaalsContact O-CG 3.27Å; P197-R201 WeakPolarHBondContact O-CG 3.36Å; P197-R201 PolarHBondContact O-N 2.9Å
198E74.3Confident83.3Confident115 Ų11549.4 Ų49.454%0.53724%0.239SC..Hα-helixtrans-70.9-32.9-176.7-68.4-59.8126.200111.6D196 R201 T202D196-E198 VanDerWaalsContact C-N 3.31Å; D196-E198 PolarHBondContact O-N 2.93Å; D196-E198 WeakPolarHBondContact OD1-CB 3.37Å; D196-E198 PolarHBondContact OD1-N 3.03Å; E198-R201 IonicContact OE1-NH1 2.87Å; E198-R201 PolarHBondContact OE1-NH1 2.77Å; E198-R201 VanDerWaalsContact OE1-NH1 3.11Å; E198-R201 IonicContact OE2-NH1 3.95Å; E198-T202 PolarHBondContact O-N 3.39Å; E198-T202 PolarHBondContact O-OG1 3.31Å
199R71.6Confident83.2Confident111 Ų11154.3 Ų54.342%0.41926%0.261SS..Hα-helixtrans-72-40.8172.1-72.1-174.3178153.2-1.5112.1D196 P197 R201 T202 D203 M250D196-R199 HydrophobicContact CB-CB 4.32Å; D196-R199 HydrophobicContact CB-CG 4.33Å; D196-R199 PolarHBondContact O-N 3.09Å; D196-R199 VanDerWaalsContact O-N 3.17Å; P197-R199 VanDerWaalsContact C-N 3.34Å; P197-R199 PolarHBondContact O-N 3.3Å; R199-R201 VanDerWaalsContact C-N 3.3Å; R199-R201 PolarHBondContact O-N 2.75Å; R199-T202 PolarHBondContact O-N 2.87Å; R199-D203 PolarHBondContact O-N 3.26Å; R199-M250 PolarHBondContact NH1-SD 3.08Å; R199-M250 PolarHBondContact NH2-SD 3.24Å
200I71.6Confident83.3Confident5 Ų554.8 Ų54.83%0.02627%0.265CS..Hα-helixtrans-55.2-52.4174.1-68164.5000108.1M189 R190 F195 D196 P197 T202 D203 E204M189-I200 HydrophobicContact CB-CD1 3.87Å; M189-I200 HydrophobicContact CB-CG1 4.37Å; R190-I200 HydrophobicContact CG-CD1 3.47Å; R190-I200 VanDerWaalsContact CG-CD1 3.47Å; F195-I200 HydrophobicContact CB-CD1 3.66Å; F195-I200 HydrophobicContact CB-CG1 3.56Å; F195-I200 HydrophobicContact CD1-CG1 4.42Å; F195-I200 HydrophobicContact CG-CG1 4.34Å; D196-I200 WeakPolarHBondContact O-CG1 3.37Å; D196-I200 PolarHBondContact O-N 3.34Å; P197-I200 PolarHBondContact O-N 2.73Å; I200-T202 PolarHBondContact O-N 2.96Å; I200-T202 VanDerWaalsContact O-N 3.11Å; I200-D203 CarbonylContact O-C 3.41Å; I200-D203 PolarHBondContact O-N 3.05Å; I200-D203 VanDerWaalsContact O-N 3.11Å; I200-E204 HydrophobicContact CG2-CB 4.11Å; I200-E204 HydrophobicContact CG2-CG 4.01Å; I200-E204 WeakPolarHBondContact O-CA 3.3Å; I200-E204 WeakPolarHBondContact O-CB 3.45Å; I200-E204 PolarHBondContact O-N 3.48Å
201R72.8Confident83.3Confident170 Ų17053.2 Ų53.264%0.64226%0.259SS*.Hα-helixtrans-54.8-35.4-176.3-71.7172.774.8175.46.7114.6P197 E198 R199P197-R201 VanDerWaalsContact O-CG 3.27Å; P197-R201 WeakPolarHBondContact O-CG 3.36Å; P197-R201 PolarHBondContact O-N 2.9Å; E198-R201 IonicContact OE1-NH1 2.87Å; E198-R201 PolarHBondContact OE1-NH1 2.77Å; E198-R201 VanDerWaalsContact OE1-NH1 3.11Å; E198-R201 IonicContact OE2-NH1 3.95Å; R199-R201 VanDerWaalsContact C-N 3.3Å; R199-R201 PolarHBondContact O-N 2.75Å
202T74.2Confident83.3Confident118 Ų11856 Ų5672%0.72427%0.272SS*.Hα-helixtrans-70.6-42.9-179.5-51.80000111.6E198 R199 I200E198-T202 PolarHBondContact O-N 3.39Å; E198-T202 PolarHBondContact O-OG1 3.31Å; R199-T202 PolarHBondContact O-N 2.87Å; I200-T202 PolarHBondContact O-N 2.96Å; I200-T202 VanDerWaalsContact O-N 3.11Å
203D78.3Confident83.5Confident39 Ų3958.4 Ų58.421%0.20928%0.284CS..Hα-helixtrans-104.53-175.7-71-20.1000113.2R199 I200 Q205 Q206 L207 K243R199-D203 PolarHBondContact O-N 3.26Å; I200-D203 CarbonylContact O-C 3.41Å; I200-D203 PolarHBondContact O-N 3.05Å; I200-D203 VanDerWaalsContact O-N 3.11Å; D203-Q205 PolarHBondContact O-N 3.46Å; D203-Q206 PolarHBondContact O-N 3.17Å; D203-Q206 VanDerWaalsContact O-N 3.13Å; D203-L207 HydrophobicContact CB-CD1 3.97Å; D203-L207 HydrophobicContact CB-CG 4.32Å; D203-L207 WeakPolarHBondContact O-CB 3.5Å; D203-L207 PolarHBondContact O-N 2.99Å; D203-K243 VanDerWaalsContact OD2-CE 3.31Å; D203-K243 WeakPolarHBondContact OD2-CE 3.22Å; D203-K243 IonicContact OD2-NZ 3.26Å; D203-K243 PolarHBondContact OD2-NZ 3.07Å
204E81.2Confident83.7Confident34 Ų3458.3 Ų58.316%0.15928%0.283CS..Hα-helixtrans-56.2-50.9-164.9-172.8176.3173.300110.4R186 I200 Q206 L207 V208R186-E204 VanDerWaalsContact CD-OE1 3.29Å; R186-E204 WeakPolarHBondContact CD-OE1 3.38Å; R186-E204 VanDerWaalsContact CG-OE1 3.3Å; R186-E204 WeakPolarHBondContact CG-OE1 2.92Å; R186-E204 IonicContact NH1-OE1 3.93Å; R186-E204 PolarHBondContact NH1-OE1 3.34Å; I200-E204 HydrophobicContact CG2-CB 4.11Å; I200-E204 HydrophobicContact CG2-CG 4.01Å; I200-E204 WeakPolarHBondContact O-CA 3.3Å; I200-E204 WeakPolarHBondContact O-CB 3.45Å; I200-E204 PolarHBondContact O-N 3.48Å; E204-Q206 PolarHBondContact O-N 3.48Å; E204-L207 PolarHBondContact O-N 3.15Å; E204-V208 HydrophobicContact CG-CG2 4.26Å; E204-V208 WeakPolarHBondContact O-CB 3.4Å; E204-V208 VanDerWaalsContact O-CG2 3.24Å; E204-V208 WeakPolarHBondContact O-CG2 3.5Å; E204-V208 PolarHBondContact O-N 3.06Å
205Q84.1Confident83.9Confident110 Ų11058.2 Ų58.251%0.51428%0.279SS..Hα-helixtrans-62.2-44-176.7-173.360.629.400111.5D203 V208 E209D203-Q205 PolarHBondContact O-N 3.46Å; Q205-V208 PolarHBondContact O-N 2.72Å; Q205-E209 WeakPolarHBondContact CG-OE1 3.3Å; Q205-E209 PolarHBondContact NE2-OE1 3.16Å; Q205-E209 WeakPolarHBondContact O-CB 2.79Å; Q205-E209 VanDerWaalsContact O-CG 3.24Å; Q205-E209 WeakPolarHBondContact O-CG 3.36Å; Q205-E209 PolarHBondContact O-N 3.1Å
206Q89.1Confident84Confident107 Ų10765.9 Ų65.950%0.531%0.308SS..Hα-helixtrans-67.2-39.4179-64.3-178.60.700111.8D203 E204 A210 F239D203-Q206 PolarHBondContact O-N 3.17Å; D203-Q206 VanDerWaalsContact O-N 3.13Å; E204-Q206 PolarHBondContact O-N 3.48Å; Q206-A210 VanDerWaalsContact O-CB 3.26Å; Q206-A210 WeakPolarHBondContact O-CB 3.48Å; Q206-A210 PolarHBondContact O-N 3.48Å; Q206-F239 HydrophobicContact CB-CE1 4.12Å; Q206-F239 HydrophobicContact CB-CZ 3.99Å
207L89.3Confident84.7Confident4 Ų462.9 Ų62.92%0.02129%0.292CS..Hα-helixtrans-67.2-43.4177.2-81.3170.5000111.8F185 M189 D203 E204 F211 F239 K243F185-L207 HydrophobicContact CE1-CB 4.21Å; F185-L207 HydrophobicContact CZ-CB 3.96Å; M189-L207 HydrophobicContact CE-CD1 3.87Å; D203-L207 HydrophobicContact CB-CD1 3.97Å; D203-L207 HydrophobicContact CB-CG 4.32Å; D203-L207 WeakPolarHBondContact O-CB 3.5Å; D203-L207 PolarHBondContact O-N 2.99Å; E204-L207 PolarHBondContact O-N 3.15Å; L207-F211 WeakPolarHBondContact O-CB 3.39Å; L207-F211 PolarHBondContact O-N 2.87Å; L207-F239 HydrophobicContact CD2-CE1 4.21Å; L207-K243 HydrophobicContact CD2-CB 3.97Å; L207-K243 HydrophobicContact CD2-CG 3.93Å
208V88.3Confident85.3Confident21 Ų2160.8 Ų60.813%0.12728%0.278CS..Hα-helixtrans-61-50.4174.2170.10000110F185 E204 Q205 A210 F211 E212F185-V208 HydrophobicContact CD1-CG2 3.37Å; F185-V208 HydrophobicContact CE1-CG2 3.5Å; F185-V208 VanDerWaalsContact CE1-CG2 3.5Å; F185-V208 HydrophobicContact CG-CG2 3.94Å; F185-V208 HydrophobicContact CZ-CG2 4.16Å; E204-V208 HydrophobicContact CG-CG2 4.26Å; E204-V208 WeakPolarHBondContact O-CB 3.4Å; E204-V208 VanDerWaalsContact O-CG2 3.24Å; E204-V208 WeakPolarHBondContact O-CG2 3.5Å; E204-V208 PolarHBondContact O-N 3.06Å; Q205-V208 PolarHBondContact O-N 2.72Å; V208-A210 PolarHBondContact O-N 2.96Å; V208-F211 PolarHBondContact O-N 3.3Å; V208-E212 HydrophobicContact CG1-CG 4.35Å; V208-E212 WeakPolarHBondContact O-CG 3.26Å; V208-E212 PolarHBondContact O-N 2.98Å
209E91.3Very high85.9Confident105 Ų10559.7 Ų59.749%0.49127%0.272SS..Hα-helixtrans-60.2-46.3179.7-76.4172.8-170.200112.3Q205 F211 E212 E213Q205-E209 WeakPolarHBondContact CG-OE1 3.3Å; Q205-E209 PolarHBondContact NE2-OE1 3.16Å; Q205-E209 WeakPolarHBondContact O-CB 2.79Å; Q205-E209 VanDerWaalsContact O-CG 3.24Å; Q205-E209 WeakPolarHBondContact O-CG 3.36Å; Q205-E209 PolarHBondContact O-N 3.1Å; E209-F211 VanDerWaalsContact C-N 3.31Å; E209-F211 PolarHBondContact O-N 2.88Å; E209-E212 PolarHBondContact O-N 2.99Å; E209-E213 WeakPolarHBondContact O-CB 3.46Å; E209-E213 PolarHBondContact O-N 3.14Å
210A93.8Very high86.6Confident12 Ų1255.5 Ų55.510%0.09926%0.26CS..Hα-helixtrans-61.5-42.8175.800000111Q206 V208 E213 M214 A236 F239 I240Q206-A210 VanDerWaalsContact O-CB 3.26Å; Q206-A210 WeakPolarHBondContact O-CB 3.48Å; Q206-A210 PolarHBondContact O-N 3.48Å; V208-A210 PolarHBondContact O-N 2.96Å; A210-E213 PolarHBondContact O-N 3.49Å; A210-M214 WeakPolarHBondContact O-CB 3.48Å; A210-M214 PolarHBondContact O-N 3.47Å; A210-A236 WeakPolarHBondContact O-CB 3.38Å; A210-F239 HydrophobicContact CB-CD1 3.54Å; A210-F239 HydrophobicContact CB-CE1 4.12Å; A210-I240 HydrophobicContact CB-CD1 4.36Å; A210-I240 HydrophobicContact CB-CG1 4.05Å
211F92Very high87.2Confident1 Ų161.5 Ų61.50%0.00429%0.291CS..Hα-helixtrans-67.4-40.2179.8-177-116.2000112.8F185 L207 V208 E209 M214 I215 I240 L292 F293 H296F185-F211 AromaticContact CD2-CD1 3.55Å; F185-F211 HydrophobicContact CD2-CD1 3.55Å; F185-F211 AromaticContact CD2-CE1 3.85Å; F185-F211 HydrophobicContact CD2-CE1 3.85Å; F185-F211 HydrophobicContact CD2-CG 4.24Å; F185-F211 HydrophobicContact CE2-CB 3.78Å; F185-F211 AromaticContact CE2-CD1 3.52Å; F185-F211 HydrophobicContact CE2-CD1 3.52Å; F185-F211 HydrophobicContact CE2-CE1 4.09Å; F185-F211 AromaticContact CE2-CG 3.73Å; F185-F211 HydrophobicContact CE2-CG 3.73Å; F185-F211 HydrophobicContact CZ-CB 4.48Å; L207-F211 WeakPolarHBondContact O-CB 3.39Å; L207-F211 PolarHBondContact O-N 2.87Å; V208-F211 PolarHBondContact O-N 3.3Å; E209-F211 VanDerWaalsContact C-N 3.31Å; E209-F211 PolarHBondContact O-N 2.88Å; F211-M214 HydrophobicContact CD2-CE 3.53Å; F211-M214 HydrophobicContact CE2-CE 3.6Å; F211-M214 WeakPolarHBondContact O-CB 3.39Å; F211-M214 PolarHBondContact O-N 3.41Å; F211-I215 HydrophobicContact CD1-CD1 3.7Å; F211-I215 HydrophobicContact CD2-CD1 4.31Å; F211-I215 HydrophobicContact CE1-CD1 3.37Å; F211-I215 HydrophobicContact CE2-CD1 3.98Å; F211-I215 HydrophobicContact CE2-CG1 4.41Å; F211-I215 HydrophobicContact CG-CD1 4.19Å; F211-I215 HydrophobicContact CZ-CD1 3.51Å; F211-I215 HydrophobicContact CZ-CG1 4.37Å; F211-I215 WeakPolarHBondContact O-CG1 3.24Å; F211-I215 PolarHBondContact O-N 3.19Å; F211-I240 HydrophobicContact CB-CD1 4.03Å; F211-I240 HydrophobicContact CD2-CD1 4.11Å; F211-L292 HydrophobicContact CD2-CD2 3.81Å; F211-L292 HydrophobicContact CD2-CG 4.19Å; F211-L292 HydrophobicContact CE1-CG 4.35Å; F211-L292 HydrophobicContact CE2-CB 4.34Å; F211-L292 HydrophobicContact CE2-CD2 3.75Å; F211-L292 HydrophobicContact CE2-CG 3.62Å; F211-L292 HydrophobicContact CG-CD2 4.41Å; F211-L292 HydrophobicContact CZ-CD1 4.47Å; F211-L292 HydrophobicContact CZ-CD2 4.24Å; F211-L292 HydrophobicContact CZ-CG 3.7Å; F211-F293 HydrophobicContact CE2-CB 4.45Å; F211-H296 HydrophobicContact CE1-CB 3.78Å; F211-H296 AromaticContact CE1-CE1 3.77Å; F211-H296 AromaticContact CE1-CG 3.51Å; F211-H296 AromaticContact CE1-ND1 3.28Å; F211-H296 VanDerWaalsContact CE1-ND1 3.28Å; F211-H296 WeakPolarHBondContact CE1-ND1 3.31Å; F211-H296 HydrophobicContact CZ-CB 4Å
212E91.2Very high87.8Confident62 Ų6257.2 Ų57.229%0.2929%0.285SS..Hα-helixtrans-64.2-41.4172.9-70.8-160.6144.800112.4K181 V208 E209 M214 I215 R216K181-E212 IonicContact NZ-OE1 2.7Å; K181-E212 PolarHBondContact NZ-OE1 3.19Å; V208-E212 HydrophobicContact CG1-CG 4.35Å; V208-E212 WeakPolarHBondContact O-CG 3.26Å; V208-E212 PolarHBondContact O-N 2.98Å; E209-E212 PolarHBondContact O-N 2.99Å; E212-M214 VanDerWaalsContact C-N 3.33Å; E212-I215 PolarHBondContact O-N 3.42Å; E212-R216 VanDerWaalsContact O-CB 3.27Å; E212-R216 WeakPolarHBondContact O-CB 3.49Å; E212-R216 PolarHBondContact O-N 3.07Å
213E93.8Very high88.4Confident53 Ų5356 Ų5625%0.24827%0.273CS..Hα-helixtrans-63.9-39.7175.2-172.963.1-164.600111E209 A210 R216 N217 R232 A236E209-E213 WeakPolarHBondContact O-CB 3.46Å; E209-E213 PolarHBondContact O-N 3.14Å; A210-E213 PolarHBondContact O-N 3.49Å; E213-R216 IonicContact OE2-NE 3.68Å; E213-N217 PolarHBondContact O-N 3.34Å; E213-N217 PolarHBondContact O-ND2 3.41Å; E213-N217 PolarHBondContact OE1-ND2 3.09Å; E213-R232 HydrophobicContact CG-CB 4.43Å; E213-R232 WeakPolarHBondContact OE1-CB 3.18Å; E213-R232 WeakPolarHBondContact OE1-CD 3.46Å; E213-A236 HydrophobicContact CB-CB 4.11Å; E213-A236 HydrophobicContact CG-CB 4.22Å
214M94.4Very high89Confident0 Ų058.8 Ų58.80%029%0.288CS..Hα-helixtrans-60.5-50.6173.5-173.8-173.371.800111.1I119 A210 F211 E212 R216 N217 L218 A236 R237 I240 T289I119-M214 HydrophobicContact CG2-CG 3.5Å; I119-M214 VanDerWaalsContact CG2-CG 3.5Å; I119-M214 HydrophobicContact CG2-SD 4.25Å; A210-M214 WeakPolarHBondContact O-CB 3.48Å; A210-M214 PolarHBondContact O-N 3.47Å; F211-M214 HydrophobicContact CD2-CE 3.53Å; F211-M214 HydrophobicContact CE2-CE 3.6Å; F211-M214 WeakPolarHBondContact O-CB 3.39Å; F211-M214 PolarHBondContact O-N 3.41Å; E212-M214 VanDerWaalsContact C-N 3.33Å; M214-R216 PolarHBondContact O-N 2.91Å; M214-N217 PolarHBondContact O-N 3.05Å; M214-L218 PolarHBondContact O-N 3.29Å; M214-A236 HydrophobicContact CB-CB 4.11Å; M214-R237 HydrophobicContact CG-CB 4.47Å; M214-R237 HydrophobicContact SD-CB 4.11Å; M214-R237 HydrophobicContact SD-CG 4.18Å; M214-I240 HydrophobicContact CB-CD1 4.31Å; M214-I240 HydrophobicContact CE-CD1 4.27Å; M214-I240 HydrophobicContact SD-CD1 3.94Å; M214-T289 HydrophobicContact CE-CG2 3.78Å; M214-T289 HydrophobicContact SD-CG2 3.8Å
215I90.8Very high89.6Confident10 Ų1059.5 Ų59.55%0.05130%0.295CS..Hα-helixtrans-61.9-45.7-178.9-72.5165.4000111.7F211 E212 N217 L218 F293 E297 P470F211-I215 HydrophobicContact CD1-CD1 3.7Å; F211-I215 HydrophobicContact CD2-CD1 4.31Å; F211-I215 HydrophobicContact CE1-CD1 3.37Å; F211-I215 HydrophobicContact CE2-CD1 3.98Å; F211-I215 HydrophobicContact CE2-CG1 4.41Å; F211-I215 HydrophobicContact CG-CD1 4.19Å; F211-I215 HydrophobicContact CZ-CD1 3.51Å; F211-I215 HydrophobicContact CZ-CG1 4.37Å; F211-I215 WeakPolarHBondContact O-CG1 3.24Å; F211-I215 PolarHBondContact O-N 3.19Å; E212-I215 PolarHBondContact O-N 3.42Å; I215-N217 PolarHBondContact O-N 3.46Å; I215-N217 VanDerWaalsContact O-N 3.13Å; I215-L218 HydrophobicContact CG1-CD1 4.4Å; I215-L218 WeakPolarHBondContact O-CB 3.28Å; I215-L218 PolarHBondContact O-N 3.26Å; I215-L218 VanDerWaalsContact O-N 3.14Å; I215-F293 HydrophobicContact CD1-CD2 4.48Å; I215-F293 HydrophobicContact CG1-CD2 4.08Å; I215-F293 HydrophobicContact CG1-CE2 4.4Å; I215-E297 HydrophobicContact CD1-CG 3.65Å; I215-E297 HydrophobicContact CG2-CG 4.25Å; I215-P470 HydrophobicContact CG2-CG 4.25Å
216R89.9Confident89.8Confident181 Ų18158.8 Ų58.868%0.68330%0.299SS*.Hα-helixtrans-55.6-31.9179.7-171.4-173.1-53.7-113.8-1.6112E212 E213 M214E212-R216 VanDerWaalsContact O-CB 3.27Å; E212-R216 WeakPolarHBondContact O-CB 3.49Å; E212-R216 PolarHBondContact O-N 3.07Å; E213-R216 IonicContact OE2-NE 3.68Å; M214-R216 PolarHBondContact O-N 2.91Å
217N91.8Very high89.8Confident18 Ų1861 Ų6110%0.09631%0.308CS..Hα-helixtrans-99.5-1.3-175.8-70.3-64000114.5I119 E213 M214 I215 F219 S220 G229I119-N217 HydrophobicContact CD1-CB 4.38Å; I119-N217 WeakPolarHBondContact CD1-O 3.36Å; E213-N217 PolarHBondContact O-N 3.34Å; E213-N217 PolarHBondContact O-ND2 3.41Å; E213-N217 PolarHBondContact OE1-ND2 3.09Å; M214-N217 PolarHBondContact O-N 3.05Å; I215-N217 PolarHBondContact O-N 3.46Å; I215-N217 VanDerWaalsContact O-N 3.13Å; N217-F219 PolarHBondContact O-N 2.68Å; N217-F219 VanDerWaalsContact O-N 3.15Å; N217-S220 VanDerWaalsContact O-CB 3.3Å; N217-S220 WeakPolarHBondContact O-CB 3.34Å; N217-S220 PolarHBondContact O-N 3.38Å; N217-S220 PolarHBondContact O-OG 2.85Å; N217-G229 WeakPolarHBondContact CB-O 3.2Å; N217-G229 WeakPolarHBondContact OD1-CA 3.15Å; N217-G229 PolarHBondContact OD1-O 2.83Å
218L88.7Confident90Very high0 Ų061.6 Ų61.60%031%0.312CS..THydrogen-bonded Turntrans-54.2-37.3179.2-79.3173.6000113.1S115 V116 I119 L120 M214 I215 F293S115-L218 CarbonylContact C-O 3.57Å; S115-L218 VanDerWaalsContact CB-O 3.27Å; S115-L218 WeakPolarHBondContact CB-O 3.49Å; S115-L218 PolarHBondContact OG-O 2.99Å; V116-L218 WeakPolarHBondContact CA-O 3.26Å; V116-L218 HydrophobicContact CG1-CD2 4.44Å; V116-L218 HydrophobicContact CG2-CB 4.28Å; V116-L218 WeakPolarHBondContact CG2-O 3.34Å; V116-L218 PolarHBondContact N-O 2.89Å; I119-L218 HydrophobicContact CB-CD2 3.99Å; I119-L218 HydrophobicContact CG2-CD2 3.68Å; L120-L218 HydrophobicContact CD1-CD2 4.49Å; L120-L218 HydrophobicContact CD2-CD2 3.96Å; L120-L218 HydrophobicContact CG-CD2 3.82Å; M214-L218 PolarHBondContact O-N 3.29Å; I215-L218 HydrophobicContact CG1-CD1 4.4Å; I215-L218 WeakPolarHBondContact O-CB 3.28Å; I215-L218 PolarHBondContact O-N 3.26Å; I215-L218 VanDerWaalsContact O-N 3.14Å; L218-F293 HydrophobicContact CD1-CD2 3.79Å; L218-F293 HydrophobicContact CD1-CE2 3.26Å; L218-F293 HydrophobicContact CD1-CZ 3.7Å
219F84.9Confident90.2Very high93 Ų9361.6 Ų61.641%0.40832%0.316SS..THydrogen-bonded Turntrans-103.626.9-178.9-64.8-90.5000113.1W112 P113 V116 N217 F366 P470W112-F219 HydrophobicContact CZ3-CZ 4.2Å; P113-F219 HydrophobicContact CG-CD1 4.03Å; P113-F219 HydrophobicContact CG-CE1 4Å; V116-F219 HydrophobicContact CG2-CD1 4.04Å; V116-F219 HydrophobicContact CG2-CE1 3.92Å; V116-F219 HydrophobicContact CG2-CE2 4.4Å; V116-F219 HydrophobicContact CG2-CG 4.35Å; V116-F219 HydrophobicContact CG2-CZ 4.11Å; N217-F219 PolarHBondContact O-N 2.68Å; N217-F219 VanDerWaalsContact O-N 3.15Å; F219-F366 HydrophobicContact CE1-CE2 4.12Å; F219-F366 HydrophobicContact CE1-CZ 4.35Å; F219-P470 HydrophobicContact CD2-CB 4.39Å; F219-P470 HydrophobicContact CE2-CB 3.83Å
220S87.1Confident90.3Very high23 Ų2357 Ų5716%0.16130%0.295CS..SBendtrans-70.7169.8175.972.90000112.7S115 N217 L230S115-S220 WeakPolarHBondContact CB-O 3.31Å; S115-S220 PolarHBondContact OG-O 3.13Å; S115-S220 VanDerWaalsContact OG-O 3.13Å; N217-S220 VanDerWaalsContact O-CB 3.3Å; N217-S220 WeakPolarHBondContact O-CB 3.34Å; N217-S220 PolarHBondContact O-N 3.38Å; N217-S220 PolarHBondContact O-OG 2.85Å; S220-L230 PolarHBondContact OG-N 3.31Å; S220-L230 VanDerWaalsContact OG-N 3.15Å
221L85.2Confident90.4Very high130 Ų13060.8 Ų60.868%0.68131%0.307SS*.  trans-62.7143.9166.5-66.2176000110.3I223L221-I223 HydrophobicContact CB-CD1 4.35Å; L221-I223 HydrophobicContact CB-CG1 4.39Å; L221-I223 PolarHBondContact O-N 3.31Å
222P84.1Confident90.6Very high80 Ų8066.7 Ų66.752%0.51933%0.33SS..SBendtrans-82.256.1-177.435.7-37.3000111.5
223I87.4Confident90.8Very high94 Ų9463.8 Ų63.848%0.48232%0.316SS..  trans-124.3116.9-178.9-57173.6000106.8L221 V225 S228 L230L221-I223 HydrophobicContact CB-CD1 4.35Å; L221-I223 HydrophobicContact CB-CG1 4.39Å; L221-I223 PolarHBondContact O-N 3.31Å; I223-V225 HydrophobicContact CG2-CG1 4.16Å; I223-V225 HydrophobicContact CG2-CG2 4.09Å; I223-V225 PolarHBondContact O-N 3.36Å; I223-S228 WeakPolarHBondContact O-CB 3.49Å; I223-S228 PolarHBondContact O-OG 2.97Å; I223-L230 WeakPolarHBondContact O-CB 3.28Å
224D90.8Very high90.9Very high97 Ų9762.5 Ų62.552%0.51931%0.311SS..  trans-96.987.3-177.6-171.314.3000111L230 Y231D224-L230 HydrophobicContact CB-CD2 4.01Å; D224-L230 HydrophobicContact CB-CG 4.46Å; D224-Y231 WeakPolarHBondContact OD1-CB 3.41Å
225V92.7Very high91Very high49 Ų4971.1 Ų71.130%0.29734%0.343SS..SBendtrans-133.9154.5174.4-64.90000110.2I223 F227 S228 Y231I223-V225 HydrophobicContact CG2-CG1 4.16Å; I223-V225 HydrophobicContact CG2-CG2 4.09Å; I223-V225 PolarHBondContact O-N 3.36Å; V225-F227 HydrophobicContact CB-CE1 4.38Å; V225-F227 HydrophobicContact CB-CZ 4.29Å; V225-F227 HydrophobicContact CG2-CD2 4.06Å; V225-F227 HydrophobicContact CG2-CE1 4.09Å; V225-F227 HydrophobicContact CG2-CE2 3.59Å; V225-F227 HydrophobicContact CG2-CG 4.49Å; V225-F227 HydrophobicContact CG2-CZ 3.61Å; V225-F227 PolarHBondContact O-N 3.41Å; V225-S228 PolarHBondContact N-OG 3.5Å; V225-S228 VanDerWaalsContact N-OG 3.14Å; V225-S228 VanDerWaalsContact O-CB 3.26Å; V225-S228 WeakPolarHBondContact O-CB 3.47Å; V225-S228 PolarHBondContact O-N 3.28Å; V225-S228 PolarHBondContact O-OG 2.85Å; V225-Y231 WeakPolarHBondContact O-CB 3.34Å
226P88.9Confident91.3Very high94 Ų9471 Ų7161%0.6134%0.344SS*.THydrogen-bonded Turntrans-53.8-22.1-166.6-31.437000117.7Y231P226-Y231 HydrophobicContact CB-CE1 4.48Å; P226-Y231 WeakPolarHBondContact O-CD1 3.49Å; P226-Y231 WeakPolarHBondContact O-CE1 2.95Å
227F89.6Confident91.6Very high155 Ų15564.1 Ų64.168%0.6832%0.318SS*.THydrogen-bonded Turntrans-104.8-5.8178.549.6-94.3000113.9V225V225-F227 HydrophobicContact CB-CE1 4.38Å; V225-F227 HydrophobicContact CB-CZ 4.29Å; V225-F227 HydrophobicContact CG2-CD2 4.06Å; V225-F227 HydrophobicContact CG2-CE1 4.09Å; V225-F227 HydrophobicContact CG2-CE2 3.59Å; V225-F227 HydrophobicContact CG2-CG 4.49Å; V225-F227 HydrophobicContact CG2-CZ 3.61Å; V225-F227 PolarHBondContact O-N 3.41Å
228S92.4Very high91.8Very high16 Ų1667.3 Ų67.311%0.11234%0.335CS..SBendtrans-70.8155.2179.768.70000112.4I223 V225 L230 Y231 R232I223-S228 WeakPolarHBondContact O-CB 3.49Å; I223-S228 PolarHBondContact O-OG 2.97Å; V225-S228 PolarHBondContact N-OG 3.5Å; V225-S228 VanDerWaalsContact N-OG 3.14Å; V225-S228 VanDerWaalsContact O-CB 3.26Å; V225-S228 WeakPolarHBondContact O-CB 3.47Å; V225-S228 PolarHBondContact O-N 3.28Å; V225-S228 PolarHBondContact O-OG 2.85Å; S228-L230 VanDerWaalsContact C-N 3.31Å; S228-L230 PolarHBondContact O-N 3.09Å; S228-Y231 PolarHBondContact O-N 2.84Å; S228-Y231 VanDerWaalsContact OG-CB 3.23Å; S228-Y231 WeakPolarHBondContact OG-CB 3.48Å; S228-Y231 PolarHBondContact OG-N 3.33Å; S228-Y231 VanDerWaalsContact OG-N 3.1Å; S228-R232 WeakPolarHBondContact O-CG 3.3Å; S228-R232 PolarHBondContact O-N 3.3Å
229G93.4Very high92.1Very high20 Ų2070.4 Ų70.421%0.20635%0.349CS..Hα-helixtrans-62.3-38.517200000112.6N217 Y231 R232 G233N217-G229 WeakPolarHBondContact CB-O 3.2Å; N217-G229 WeakPolarHBondContact OD1-CA 3.15Å; N217-G229 PolarHBondContact OD1-O 2.83Å; G229-Y231 PolarHBondContact O-N 3.21Å; G229-R232 PolarHBondContact O-N 3.21Å; G229-G233 PolarHBondContact O-N 3.39Å
230L93.4Very high92.5Very high9 Ų966.2 Ų66.25%0.04733%0.33CS..Hα-helixtrans-60.9-45.6179.9-179.459.5000111.4T118 I119 S220 I223 D224 S228 R232 G233 L234T118-L230 HydrophobicContact CG2-CD1 4.05Å; I119-L230 HydrophobicContact CD1-CD1 3.92Å; I119-L230 HydrophobicContact CG1-CD1 3.69Å; S220-L230 PolarHBondContact OG-N 3.31Å; S220-L230 VanDerWaalsContact OG-N 3.15Å; I223-L230 WeakPolarHBondContact O-CB 3.28Å; D224-L230 HydrophobicContact CB-CD2 4.01Å; D224-L230 HydrophobicContact CB-CG 4.46Å; S228-L230 VanDerWaalsContact C-N 3.31Å; S228-L230 PolarHBondContact O-N 3.09Å; L230-R232 PolarHBondContact O-N 3.04Å; L230-G233 PolarHBondContact O-N 3.13Å; L230-L234 HydrophobicContact CD1-CD1 4.21Å; L230-L234 HydrophobicContact CD1-CG 4.24Å; L230-L234 HydrophobicContact CG-CD1 4.09Å; L230-L234 WeakPolarHBondContact O-CB 3.09Å; L230-L234 WeakPolarHBondContact O-CG 3.5Å; L230-L234 PolarHBondContact O-N 2.97Å
231Y95.4Very high92.9Very high92 Ų9265.2 Ų65.236%0.36132%0.323SS..Hα-helixtrans-59-47.3176.4176.7-93.7000112.1D224 V225 P226 S228 G229 L234 R235D224-Y231 WeakPolarHBondContact OD1-CB 3.41Å; V225-Y231 WeakPolarHBondContact O-CB 3.34Å; P226-Y231 HydrophobicContact CB-CE1 4.48Å; P226-Y231 WeakPolarHBondContact O-CD1 3.49Å; P226-Y231 WeakPolarHBondContact O-CE1 2.95Å; S228-Y231 PolarHBondContact O-N 2.84Å; S228-Y231 VanDerWaalsContact OG-CB 3.23Å; S228-Y231 WeakPolarHBondContact OG-CB 3.48Å; S228-Y231 PolarHBondContact OG-N 3.33Å; S228-Y231 VanDerWaalsContact OG-N 3.1Å; G229-Y231 PolarHBondContact O-N 3.21Å; Y231-L234 PolarHBondContact O-N 3.27Å; Y231-R235 WeakPolarHBondContact O-CB 3.36Å; Y231-R235 PolarHBondContact O-N 3.25Å
232R96.4Very high93.3Very high125 Ų12561.2 Ų61.247%0.47231%0.306SS..Hα-helixtrans-62.7-43.9178.1-64.8179.4-165.9-167.63111.7E213 S228 G229 L230 L234 R235 A236E213-R232 HydrophobicContact CG-CB 4.43Å; E213-R232 WeakPolarHBondContact OE1-CB 3.18Å; E213-R232 WeakPolarHBondContact OE1-CD 3.46Å; S228-R232 WeakPolarHBondContact O-CG 3.3Å; S228-R232 PolarHBondContact O-N 3.3Å; G229-R232 PolarHBondContact O-N 3.21Å; L230-R232 PolarHBondContact O-N 3.04Å; R232-L234 PolarHBondContact O-N 3.03Å; R232-R235 PolarHBondContact O-N 3.24Å; R232-A236 WeakPolarHBondContact O-CB 3.49Å; R232-A236 PolarHBondContact O-N 3.15Å
233G96.1Very high93.8Very high0 Ų059 Ų590%029%0.288CS..Hα-helixtrans-61.5-41.5176.200000112.8G229 L230 A236 R237G229-G233 PolarHBondContact O-N 3.39Å; L230-G233 PolarHBondContact O-N 3.13Å; G233-A236 PolarHBondContact O-N 3.5Å; G233-R237 WeakPolarHBondContact O-CB 3.08Å; G233-R237 PolarHBondContact O-N 3.28Å
234L95.9Very high94Very high27 Ų2754.6 Ų54.614%0.14127%0.266CS..Hα-helixtrans-67.9-42176.2-76.6174.1000112.7T118 L230 Y231 R232 A236 R237 N238T118-L234 HydrophobicContact CG2-CD1 4.32Å; T118-L234 HydrophobicContact CG2-CD2 4.19Å; L230-L234 HydrophobicContact CD1-CD1 4.21Å; L230-L234 HydrophobicContact CD1-CG 4.24Å; L230-L234 HydrophobicContact CG-CD1 4.09Å; L230-L234 WeakPolarHBondContact O-CB 3.09Å; L230-L234 WeakPolarHBondContact O-CG 3.5Å; L230-L234 PolarHBondContact O-N 2.97Å; Y231-L234 PolarHBondContact O-N 3.27Å; R232-L234 PolarHBondContact O-N 3.03Å; L234-A236 VanDerWaalsContact C-N 3.33Å; L234-A236 PolarHBondContact O-N 3.48Å; L234-R237 PolarHBondContact O-N 3.41Å; L234-N238 WeakPolarHBondContact O-CB 3.35Å; L234-N238 PolarHBondContact O-N 3.33Å; L234-N238 PolarHBondContact O-ND2 3.29Å
235R96.6Very high94.2Very high180 Ų18052.4 Ų52.468%0.67925%0.253SS*.Hα-helixtrans-59.5-46.7174.6178.5-179.5161.7-164.8-6.6111Y231 R232 N238 F239Y231-R235 WeakPolarHBondContact O-CB 3.36Å; Y231-R235 PolarHBondContact O-N 3.25Å; R232-R235 PolarHBondContact O-N 3.24Å; R235-N238 PolarHBondContact O-N 2.78Å; R235-F239 PolarHBondContact O-N 2.92Å
236A96.3Very high94.2Very high9 Ų954.4 Ų54.47%0.07426%0.258CS..Hα-helixtrans-61.8-46.4176.500000112.1A210 E213 M214 R232 G233 L234 N238 F239 I240A210-A236 WeakPolarHBondContact O-CB 3.38Å; E213-A236 HydrophobicContact CB-CB 4.11Å; E213-A236 HydrophobicContact CG-CB 4.22Å; M214-A236 HydrophobicContact CB-CB 4.11Å; R232-A236 WeakPolarHBondContact O-CB 3.49Å; R232-A236 PolarHBondContact O-N 3.15Å; G233-A236 PolarHBondContact O-N 3.5Å; L234-A236 VanDerWaalsContact C-N 3.33Å; L234-A236 PolarHBondContact O-N 3.48Å; A236-N238 VanDerWaalsContact C-N 3.3Å; A236-N238 PolarHBondContact O-N 3.02Å; A236-F239 PolarHBondContact O-N 3.21Å; A236-I240 WeakPolarHBondContact O-CG1 2.95Å; A236-I240 PolarHBondContact O-N 3.36Å; A236-I240 VanDerWaalsContact O-N 3.09Å
237R95.6Very high94.3Very high36 Ų3650.1 Ų50.114%0.13623%0.231CC..Hα-helixtrans-55.4-44.7173.9-170.9-149.787.6-173.87.8112I119 M214 G233 L234 F239 I240 H241I119-R237 WeakPolarHBondContact O-CD 3.26Å; I119-R237 WeakPolarHBondContact O-CG 3.45Å; M214-R237 HydrophobicContact CG-CB 4.47Å; M214-R237 HydrophobicContact SD-CB 4.11Å; M214-R237 HydrophobicContact SD-CG 4.18Å; G233-R237 WeakPolarHBondContact O-CB 3.08Å; G233-R237 PolarHBondContact O-N 3.28Å; L234-R237 PolarHBondContact O-N 3.41Å; R237-F239 VanDerWaalsContact C-N 3.32Å; R237-F239 PolarHBondContact O-N 3.38Å; R237-I240 PolarHBondContact O-N 3.29Å; R237-H241 PolarHBondContact NE-CE1 3.5Å; R237-H241 VanDerWaalsContact NE-CE1 3.33Å; R237-H241 WeakPolarHBondContact O-CB 3.37Å; R237-H241 PolarHBondContact O-CD2 3.15Å; R237-H241 VanDerWaalsContact O-CD2 3.32Å; R237-H241 PolarHBondContact O-N 3.2Å
238N96Very high94.4Very high84 Ų8442.8 Ų42.845%0.44920%0.198SC..Hα-helixtrans-65.2-35.8-177.5-72.3-22.1000112.4L234 R235 A236 H241 S242L234-N238 WeakPolarHBondContact O-CB 3.35Å; L234-N238 PolarHBondContact O-N 3.33Å; L234-N238 PolarHBondContact O-ND2 3.29Å; R235-N238 PolarHBondContact O-N 2.78Å; A236-N238 VanDerWaalsContact C-N 3.3Å; A236-N238 PolarHBondContact O-N 3.02Å; N238-H241 PolarHBondContact O-N 3.48Å; N238-S242 PolarHBondContact O-N 3.01Å
239F95.4Very high94.4Very high65 Ų6546.8 Ų46.829%0.28521%0.214SC..Hα-helixtrans-65.4-44.9171.9177.2-101.4000112.2Q206 L207 A210 R235 A236 R237 H241 S242 K243Q206-F239 HydrophobicContact CB-CE1 4.12Å; Q206-F239 HydrophobicContact CB-CZ 3.99Å; L207-F239 HydrophobicContact CD2-CE1 4.21Å; A210-F239 HydrophobicContact CB-CD1 3.54Å; A210-F239 HydrophobicContact CB-CE1 4.12Å; R235-F239 PolarHBondContact O-N 2.92Å; A236-F239 PolarHBondContact O-N 3.21Å; R237-F239 VanDerWaalsContact C-N 3.32Å; R237-F239 PolarHBondContact O-N 3.38Å; F239-H241 VanDerWaalsContact C-N 3.3Å; F239-H241 PolarHBondContact O-N 3.45Å; F239-S242 PolarHBondContact O-N 2.88Å; F239-S242 PolarHBondContact O-OG 2.89Å; F239-K243 HydrophobicContact CZ-CG 4.42Å; F239-K243 PolarHBondContact O-N 3.49Å
240I93.9Very high94.2Very high5 Ų548.1 Ų48.13%0.02622%0.215CC..Hα-helixtrans-61.1-43.1175.5-63.3166.3000110.4A210 F211 M214 A236 R237 S242 K243 I244A210-I240 HydrophobicContact CB-CD1 4.36Å; A210-I240 HydrophobicContact CB-CG1 4.05Å; F211-I240 HydrophobicContact CB-CD1 4.03Å; F211-I240 HydrophobicContact CD2-CD1 4.11Å; M214-I240 HydrophobicContact CB-CD1 4.31Å; M214-I240 HydrophobicContact CE-CD1 4.27Å; M214-I240 HydrophobicContact SD-CD1 3.94Å; A236-I240 WeakPolarHBondContact O-CG1 2.95Å; A236-I240 PolarHBondContact O-N 3.36Å; A236-I240 VanDerWaalsContact O-N 3.09Å; R237-I240 PolarHBondContact O-N 3.29Å; I240-S242 VanDerWaalsContact C-N 3.33Å; I240-S242 PolarHBondContact O-N 3.3Å; I240-K243 PolarHBondContact O-N 2.63Å; I240-I244 HydrophobicContact CG2-CD1 3.67Å; I240-I244 HydrophobicContact CG2-CG1 4.33Å; I240-I244 WeakPolarHBondContact O-CG1 3.5Å; I240-I244 PolarHBondContact O-N 2.89Å
241H95.2Very high94Very high3 Ų348 Ų481%0.01421%0.214CC..Hα-helixtrans-60.7-38.7176.6-82.2-152.4000112.3R237 N238 F239 I244 E245 K285 T289R237-H241 PolarHBondContact NE-CE1 3.5Å; R237-H241 VanDerWaalsContact NE-CE1 3.33Å; R237-H241 WeakPolarHBondContact O-CB 3.37Å; R237-H241 PolarHBondContact O-CD2 3.15Å; R237-H241 VanDerWaalsContact O-CD2 3.32Å; R237-H241 PolarHBondContact O-N 3.2Å; N238-H241 PolarHBondContact O-N 3.48Å; F239-H241 VanDerWaalsContact C-N 3.3Å; F239-H241 PolarHBondContact O-N 3.45Å; H241-I244 PolarHBondContact O-N 3.46Å; H241-E245 WeakPolarHBondContact O-CB 3.16Å; H241-E245 PolarHBondContact O-N 3.06Å; H241-K285 HydrophobicContact CB-CD 4.04Å; H241-K285 VanDerWaalsContact O-CD 3.29Å; H241-K285 WeakPolarHBondContact O-CD 3.43Å; H241-T289 PolarHBondContact CD2-OG1 3.4Å; H241-T289 PolarHBondContact NE2-OG1 3.38Å
242S94.8Very high93.6Very high46 Ų4645.3 Ų45.332%0.32221%0.208SC..Hα-helixtrans-64.8-42.6178.170.80000111.3N238 F239 I240 E245 E246N238-S242 PolarHBondContact O-N 3.01Å; F239-S242 PolarHBondContact O-N 2.88Å; F239-S242 PolarHBondContact O-OG 2.89Å; I240-S242 VanDerWaalsContact C-N 3.33Å; I240-S242 PolarHBondContact O-N 3.3Å; S242-E245 WeakPolarHBondContact O-CB 3.3Å; S242-E245 PolarHBondContact O-N 2.96Å; S242-E246 WeakPolarHBondContact O-CG 3.47Å; S242-E246 PolarHBondContact O-N 3.07Å
243K93.1Very high93.2Very high33 Ų3344.6 Ų44.614%0.14321%0.209CC..Hα-helixtrans-66.7-39.5177.1-65.5-63.7-177.8173.70113F195 D203 L207 F239 I240 E245 E246 N247F195-K243 HydrophobicContact CZ-CB 4.31Å; D203-K243 VanDerWaalsContact OD2-CE 3.31Å; D203-K243 WeakPolarHBondContact OD2-CE 3.22Å; D203-K243 IonicContact OD2-NZ 3.26Å; D203-K243 PolarHBondContact OD2-NZ 3.07Å; L207-K243 HydrophobicContact CD2-CB 3.97Å; L207-K243 HydrophobicContact CD2-CG 3.93Å; F239-K243 HydrophobicContact CZ-CG 4.42Å; F239-K243 PolarHBondContact O-N 3.49Å; I240-K243 PolarHBondContact O-N 2.63Å; K243-E245 VanDerWaalsContact C-N 3.32Å; K243-E246 IonicContact NZ-OE2 2.74Å; K243-N247 PolarHBondContact O-N 3.14Å; K243-N247 VanDerWaalsContact O-N 3.1Å
244I93Very high92.8Very high2 Ų247.7 Ų47.71%0.0122%0.224CC..Hα-helixtrans-64.1-40.9172.6-66.2167.1000110.3L193 I240 H241 N247 I248 K285 A288 T289L193-I244 HydrophobicContact CD1-CD1 4.26Å; L193-I244 HydrophobicContact CD1-CG1 4.13Å; I240-I244 HydrophobicContact CG2-CD1 3.67Å; I240-I244 HydrophobicContact CG2-CG1 4.33Å; I240-I244 WeakPolarHBondContact O-CG1 3.5Å; I240-I244 PolarHBondContact O-N 2.89Å; H241-I244 PolarHBondContact O-N 3.46Å; I244-N247 PolarHBondContact O-N 3.45Å; I244-I248 HydrophobicContact CG2-CD1 3.66Å; I244-I248 HydrophobicContact CG2-CG1 4.17Å; I244-I248 VanDerWaalsContact O-CG1 3.26Å; I244-I248 WeakPolarHBondContact O-CG1 3.45Å; I244-I248 PolarHBondContact O-N 3.49Å; I244-K285 HydrophobicContact CB-CG 4.47Å; I244-K285 HydrophobicContact CG2-CG 4.05Å; I244-A288 HydrophobicContact CD1-CB 3.98Å; I244-A288 HydrophobicContact CG2-CB 3.86Å; I244-T289 WeakPolarHBondContact CD1-OG1 3.39Å
245E94.4Very high92.3Very high51 Ų5148 Ų4824%0.23823%0.228CC..Hα-helixtrans-61.3-45.5178.4-164.5170.714000112.5H241 S242 K243 N247 I248 K249 M281 K285H241-E245 WeakPolarHBondContact O-CB 3.16Å; H241-E245 PolarHBondContact O-N 3.06Å; S242-E245 WeakPolarHBondContact O-CB 3.3Å; S242-E245 PolarHBondContact O-N 2.96Å; K243-E245 VanDerWaalsContact C-N 3.32Å; E245-N247 VanDerWaalsContact C-N 3.31Å; E245-N247 PolarHBondContact O-N 3.15Å; E245-I248 PolarHBondContact O-N 2.82Å; E245-K249 HydrophobicContact CG-CD 4.49Å; E245-K249 WeakPolarHBondContact O-CG 3.06Å; E245-K249 PolarHBondContact O-N 3.43Å; E245-K249 VanDerWaalsContact OE1-CE 3.31Å; E245-K249 WeakPolarHBondContact OE1-CE 3.27Å; E245-K249 IonicContact OE1-NZ 2.83Å; E245-K249 PolarHBondContact OE1-NZ 3.05Å; E245-M281 HydrophobicContact CG-CE 3.91Å; E245-M281 HydrophobicContact CG-CG 4.01Å; E245-M281 HydrophobicContact CG-SD 3.91Å; E245-K285 HydrophobicContact CB-CD 3.88Å; E245-K285 HydrophobicContact CG-CD 4.37Å; E245-K285 IonicContact OE2-NZ 2.82Å; E245-K285 PolarHBondContact OE2-NZ 2.99Å
246E92.3Very high91.7Very high90 Ų9045.5 Ų45.542%0.42123%0.228SC..Hα-helixtrans-54.7-49.2173.3-72.8164.9-151.800110.2S242 K243 I248 K249 M250S242-E246 WeakPolarHBondContact O-CG 3.47Å; S242-E246 PolarHBondContact O-N 3.07Å; K243-E246 IonicContact NZ-OE2 2.74Å; E246-I248 PolarHBondContact O-N 3.3Å; E246-K249 PolarHBondContact O-N 3.17Å; E246-M250 HydrophobicContact CB-CE 4.49Å; E246-M250 WeakPolarHBondContact O-CE 3.47Å; E246-M250 WeakPolarHBondContact O-CG 3.27Å; E246-M250 PolarHBondContact O-N 3.32Å; E246-M250 VanDerWaalsContact O-N 3.09Å
247N91.8Very high91.3Very high5 Ų553.2 Ų53.23%0.02726%0.26CS..Hα-helixtrans-63.9-40.3-179.9-164.440.6000113.1L193 F195 K243 I244 E245 M250 K251L193-N247 PolarHBondContact O-ND2 3Å; F195-N247 HydrophobicContact CD2-CB 4.44Å; F195-N247 WeakPolarHBondContact CD2-ND2 3.45Å; F195-N247 HydrophobicContact CE1-CB 4.29Å; F195-N247 HydrophobicContact CE2-CB 3.94Å; F195-N247 HydrophobicContact CZ-CB 3.85Å; K243-N247 PolarHBondContact O-N 3.14Å; K243-N247 VanDerWaalsContact O-N 3.1Å; I244-N247 PolarHBondContact O-N 3.45Å; E245-N247 VanDerWaalsContact C-N 3.31Å; E245-N247 PolarHBondContact O-N 3.15Å; N247-M250 HydrophobicContact CB-CE 4.48Å; N247-M250 PolarHBondContact O-N 2.92Å; N247-K251 WeakPolarHBondContact ND2-CE 3.38Å; N247-K251 WeakPolarHBondContact O-CG 3.33Å; N247-K251 PolarHBondContact O-N 2.89Å
248I91.4Very high90.7Very high0 Ų054.3 Ų54.30%028%0.283CS..Hα-helixtrans-61.9-46.6175.9-68.8165.4000110.7I244 E245 E246 M250 K251 V252 L265 I269 F279 M281 I284 K285I244-I248 HydrophobicContact CG2-CD1 3.66Å; I244-I248 HydrophobicContact CG2-CG1 4.17Å; I244-I248 VanDerWaalsContact O-CG1 3.26Å; I244-I248 WeakPolarHBondContact O-CG1 3.45Å; I244-I248 PolarHBondContact O-N 3.49Å; E245-I248 PolarHBondContact O-N 2.82Å; E246-I248 PolarHBondContact O-N 3.3Å; I248-M250 VanDerWaalsContact C-N 3.34Å; I248-M250 PolarHBondContact O-N 2.89Å; I248-K251 PolarHBondContact O-N 3.15Å; I248-V252 HydrophobicContact CG2-CG2 4.41Å; I248-V252 WeakPolarHBondContact O-CG2 3.47Å; I248-V252 PolarHBondContact O-N 3.36Å; I248-L265 HydrophobicContact CD1-CD1 4.4Å; I248-L265 HydrophobicContact CG1-CD1 4.21Å; I248-L265 HydrophobicContact CG1-CD2 3.91Å; I248-L265 HydrophobicContact CG1-CG 4.41Å; I248-I269 HydrophobicContact CG1-CD1 4.46Å; I248-I269 HydrophobicContact CG2-CD1 4.15Å; I248-F279 HydrophobicContact CG2-CE1 4.26Å; I248-F279 HydrophobicContact CG2-CZ 3.68Å; I248-M281 HydrophobicContact CB-CE 4.23Å; I248-M281 HydrophobicContact CB-SD 4.09Å; I248-M281 HydrophobicContact CD1-SD 3.61Å; I248-M281 HydrophobicContact CG1-SD 4.46Å; I248-M281 HydrophobicContact CG2-CE 3.72Å; I248-M281 HydrophobicContact CG2-SD 3.81Å; I248-I284 HydrophobicContact CD1-CB 4.27Å; I248-I284 HydrophobicContact CD1-CG2 3.6Å; I248-I284 HydrophobicContact CG1-CG2 4.37Å; I248-K285 HydrophobicContact CD1-CG 4.13Å
249K91.6Very high90Very high101 Ų10153.1 Ų53.144%0.43928%0.281SS..Hα-helixtrans-59.3-46.6179.8-73.9173.5-176.6164.60111E245 E246 V252 E253 M281E245-K249 HydrophobicContact CG-CD 4.49Å; E245-K249 WeakPolarHBondContact O-CG 3.06Å; E245-K249 PolarHBondContact O-N 3.43Å; E245-K249 VanDerWaalsContact OE1-CE 3.31Å; E245-K249 WeakPolarHBondContact OE1-CE 3.27Å; E245-K249 IonicContact OE1-NZ 2.83Å; E245-K249 PolarHBondContact OE1-NZ 3.05Å; E246-K249 PolarHBondContact O-N 3.17Å; K249-V252 PolarHBondContact O-N 3.39Å; K249-E253 WeakPolarHBondContact O-CG 3.3Å; K249-E253 PolarHBondContact O-N 2.95Å; K249-M281 HydrophobicContact CG-CE 4.24Å
250M89.8Confident89.3Confident47 Ų4759.5 Ų59.523%0.23231%0.309CS..Hα-helixtrans-61-47.5177.6-67.7-176.8-64.200112.2R199 E246 N247 I248 V252 E253 E254R199-M250 PolarHBondContact NH1-SD 3.08Å; R199-M250 PolarHBondContact NH2-SD 3.24Å; E246-M250 HydrophobicContact CB-CE 4.49Å; E246-M250 WeakPolarHBondContact O-CE 3.47Å; E246-M250 WeakPolarHBondContact O-CG 3.27Å; E246-M250 PolarHBondContact O-N 3.32Å; E246-M250 VanDerWaalsContact O-N 3.09Å; N247-M250 HydrophobicContact CB-CE 4.48Å; N247-M250 PolarHBondContact O-N 2.92Å; I248-M250 VanDerWaalsContact C-N 3.34Å; I248-M250 PolarHBondContact O-N 2.89Å; M250-V252 VanDerWaalsContact C-N 3.3Å; M250-V252 PolarHBondContact O-N 2.83Å; M250-E253 PolarHBondContact O-N 2.88Å; M250-E253 VanDerWaalsContact O-N 3.15Å; M250-E254 WeakPolarHBondContact O-CB 3.4Å; M250-E254 WeakPolarHBondContact O-CG 3.49Å; M250-E254 PolarHBondContact O-N 2.89Å
251K89.3Confident88.8Confident6 Ų661.4 Ų61.43%0.02632%0.317CS..Hα-helixtrans-58.9-39.9176.7-76.5-179.6177.8-68.90112.9L193 G194 N247 I248 S255 D263 L265L193-K251 WeakPolarHBondContact O-CE 3.27Å; G194-K251 VanDerWaalsContact O-CE 3.23Å; G194-K251 WeakPolarHBondContact O-CE 3.41Å; G194-K251 PolarHBondContact O-NZ 2.97Å; N247-K251 WeakPolarHBondContact ND2-CE 3.38Å; N247-K251 WeakPolarHBondContact O-CG 3.33Å; N247-K251 PolarHBondContact O-N 2.89Å; I248-K251 PolarHBondContact O-N 3.15Å; K251-S255 VanDerWaalsContact O-CB 3.23Å; K251-S255 WeakPolarHBondContact O-CB 3.19Å; K251-S255 PolarHBondContact O-N 2.66Å; K251-S255 PolarHBondContact O-OG 2.74Å; K251-D263 IonicContact NZ-OD1 3.32Å; K251-D263 IonicContact NZ-OD2 3.23Å; K251-D263 PolarHBondContact NZ-OD2 3.14Å; K251-L265 HydrophobicContact CD-CD2 4.34Å
252V87.1Confident88.2Confident37 Ų3764.7 Ų64.722%0.22434%0.338CS..Hα-helixtrans-65.2-43.4177.2170.20000110.6I248 K249 M250 N256I248-V252 HydrophobicContact CG2-CG2 4.41Å; I248-V252 WeakPolarHBondContact O-CG2 3.47Å; I248-V252 PolarHBondContact O-N 3.36Å; K249-V252 PolarHBondContact O-N 3.39Å; M250-V252 VanDerWaalsContact C-N 3.3Å; M250-V252 PolarHBondContact O-N 2.83Å; V252-N256 PolarHBondContact O-N 3.1Å; V252-N256 PolarHBondContact O-ND2 3.48Å; V252-N256 PolarHBondContact O-OD1 3.33Å
253E88.5Confident87.9Confident109 Ų10963.2 Ų63.251%0.50933%0.326SS..Hα-helixtrans-64.7-43.9176.5-71.2174.1-166.700112.7K249 M250 N256 K257K249-E253 WeakPolarHBondContact O-CG 3.3Å; K249-E253 PolarHBondContact O-N 2.95Å; M250-E253 PolarHBondContact O-N 2.88Å; M250-E253 VanDerWaalsContact O-N 3.15Å; E253-N256 PolarHBondContact O-N 3.29Å; E253-K257 WeakPolarHBondContact O-CG 3.31Å; E253-K257 PolarHBondContact O-N 2.89Å
254E87.8Confident87.7Confident66 Ų6661.6 Ų61.631%0.30832%0.319SS..Hα-helixtrans-65.4-41.3177.3-72.8173.1-178.400111.5M250 N256 K257 G258 S259 H261M250-E254 WeakPolarHBondContact O-CB 3.4Å; M250-E254 WeakPolarHBondContact O-CG 3.49Å; M250-E254 PolarHBondContact O-N 2.89Å; E254-N256 VanDerWaalsContact C-N 3.31Å; E254-N256 PolarHBondContact O-N 3.32Å; E254-K257 CarbonylContact O-C 3.58Å; E254-K257 WeakPolarHBondContact O-CA 3.3Å; E254-K257 WeakPolarHBondContact O-CB 3.37Å; E254-K257 PolarHBondContact O-N 2.88Å; E254-G258 PolarHBondContact O-N 3.45Å; E254-S259 WeakPolarHBondContact O-CB 3.39Å; E254-S259 PolarHBondContact O-N 3.23Å; E254-H261 IonicContact OE2-CE1 2.59Å; E254-H261 PolarHBondContact OE2-CE1 2.82Å; E254-H261 IonicContact OE2-NE2 2.73Å; E254-H261 PolarHBondContact OE2-NE2 3.45Å
255S85.5Confident87.5Confident33 Ų3361.5 Ų61.523%0.23132%0.319CS..Hα-helixtrans-61.3-39.2174.1-62.40000112K251 K257 G258K251-S255 VanDerWaalsContact O-CB 3.23Å; K251-S255 WeakPolarHBondContact O-CB 3.19Å; K251-S255 PolarHBondContact O-N 2.66Å; K251-S255 PolarHBondContact O-OG 2.74Å; S255-K257 PolarHBondContact O-N 3.32Å; S255-G258 PolarHBondContact O-N 3.2Å
256N84Confident87.3Confident127 Ų12759.4 Ų59.468%0.67931%0.309SS*.Hα-helixtrans-66-24.4174.9-68.9-17000112.4V252 E253 E254 G258V252-N256 PolarHBondContact O-N 3.1Å; V252-N256 PolarHBondContact O-ND2 3.48Å; V252-N256 PolarHBondContact O-OD1 3.33Å; E253-N256 PolarHBondContact O-N 3.29Å; E254-N256 VanDerWaalsContact C-N 3.31Å; E254-N256 PolarHBondContact O-N 3.32Å; N256-G258 VanDerWaalsContact C-N 3.33Å
257K87.1Confident86.9Confident171 Ų17157.1 Ų57.174%0.74330%0.298SS*.THydrogen-bonded Turntrans-87.61.6173.3-64.7171.7-172.9172.70113.2E253 E254 S255E253-K257 WeakPolarHBondContact O-CG 3.31Å; E253-K257 PolarHBondContact O-N 2.89Å; E254-K257 CarbonylContact O-C 3.58Å; E254-K257 WeakPolarHBondContact O-CA 3.3Å; E254-K257 WeakPolarHBondContact O-CB 3.37Å; E254-K257 PolarHBondContact O-N 2.88Å; S255-K257 PolarHBondContact O-N 3.32Å
258G82.8Confident86.6Confident59 Ų5957.6 Ų57.661%0.60830%0.301SS*.THydrogen-bonded Turntrans97.41.5176.200000115.6E254 S255 N256E254-G258 PolarHBondContact O-N 3.45Å; S255-G258 PolarHBondContact O-N 3.2Å; N256-G258 VanDerWaalsContact C-N 3.33Å
259S82.1Confident86.4Confident60 Ų6057.6 Ų57.642%0.4230%0.301SS..  trans-66.9144174.4-67.20000111.2E254E254-S259 WeakPolarHBondContact O-CB 3.39Å; E254-S259 PolarHBondContact O-N 3.23Å
260K81Confident86Confident198 Ų19855.8 Ų55.886%0.86130%0.296SS*.  trans-111.6124.3175.7-67.3-176.3-179177.50109.6
261H81.5Confident85.5Confident45 Ų4554 Ų5421%0.20829%0.288CS..  trans-107.2148.1170.7-52.6-76.9000110E254 D263 Q266E254-H261 IonicContact OE2-CE1 2.59Å; E254-H261 PolarHBondContact OE2-CE1 2.82Å; E254-H261 IonicContact OE2-NE2 2.73Å; E254-H261 PolarHBondContact OE2-NE2 3.45Å; H261-D263 WeakPolarHBondContact CB-OD2 3.29Å; H261-Q266 HydrophobicContact CB-CB 3.83Å; H261-Q266 HydrophobicContact CB-CG 3.8Å; H261-Q266 PolarHBondContact CD2-OE1 2.99Å
262T83.3Confident84.9Confident73 Ų7355 Ų5545%0.44830%0.296SS..  trans-121.9-2.6-174.453.60000113.3L151 Y152L151-T262 HydrophobicContact CD1-CG2 3.85Å; Y152-T262 WeakPolarHBondContact CE1-O 3.48Å; Y152-T262 PolarHBondContact OH-O 3.45Å
263D89.3Confident84.3Confident14 Ų1458.2 Ų58.28%0.07531%0.307CS..SBendtrans-66.6164.5177.762.184000113.2I191 G194 K251 H261 L265 Q266 Q267I191-D263 VanDerWaalsContact O-CB 3.31Å; I191-D263 WeakPolarHBondContact O-CB 3.4Å; G194-D263 VanDerWaalsContact CA-CG 3.41Å; K251-D263 IonicContact NZ-OD1 3.32Å; K251-D263 IonicContact NZ-OD2 3.23Å; K251-D263 PolarHBondContact NZ-OD2 3.14Å; H261-D263 WeakPolarHBondContact CB-OD2 3.29Å; D263-L265 VanDerWaalsContact C-N 3.29Å; D263-L265 PolarHBondContact O-N 3.47Å; D263-L265 WeakPolarHBondContact OD1-CB 3.32Å; D263-L265 PolarHBondContact OD1-N 2.99Å; D263-L265 VanDerWaalsContact OD1-N 3.15Å; D263-Q266 PolarHBondContact O-N 2.74Å; D263-Q266 PolarHBondContact OD1-N 2.72Å; D263-Q267 PolarHBondContact O-N 2.88Å
264A88.1Confident83.4Confident0 Ų061 Ų610%032%0.317CS..Hα-helixtrans-63.2-35.9-175.400000112.5A143 Y152 I191 L192 Q267 L268 L291A143-A264 HydrophobicContact CB-CB 3.65Å; Y152-A264 PolarHBondContact OH-N 2.99Å; Y152-A264 VanDerWaalsContact OH-N 3.17Å; I191-A264 PolarHBondContact O-N 3.35Å; L192-A264 HydrophobicContact CD2-CB 4.17Å; A264-Q267 PolarHBondContact O-N 3.46Å; A264-L268 WeakPolarHBondContact O-CG 3.26Å; A264-L268 PolarHBondContact O-N 3.02Å; A264-L291 HydrophobicContact CB-CD1 4.1Å
265L89.9Confident82.1Confident0 Ų062.4 Ų62.40%033%0.327CS..Hα-helixtrans-64-41.9178.717762.2000111L192 L193 I248 K251 D263 Q267 L268 I269 I284 A288L192-L265 WeakPolarHBondContact O-CB 3.39Å; L192-L265 PolarHBondContact O-N 3.32Å; L193-L265 VanDerWaalsContact O-CD2 3.26Å; L193-L265 WeakPolarHBondContact O-CD2 3.47Å; I248-L265 HydrophobicContact CD1-CD1 4.4Å; I248-L265 HydrophobicContact CG1-CD1 4.21Å; I248-L265 HydrophobicContact CG1-CD2 3.91Å; I248-L265 HydrophobicContact CG1-CG 4.41Å; K251-L265 HydrophobicContact CD-CD2 4.34Å; D263-L265 VanDerWaalsContact C-N 3.29Å; D263-L265 PolarHBondContact O-N 3.47Å; D263-L265 WeakPolarHBondContact OD1-CB 3.32Å; D263-L265 PolarHBondContact OD1-N 2.99Å; D263-L265 VanDerWaalsContact OD1-N 3.15Å; L265-Q267 VanDerWaalsContact C-N 3.31Å; L265-Q267 PolarHBondContact O-N 3.33Å; L265-L268 WeakPolarHBondContact O-CB 3.39Å; L265-L268 PolarHBondContact O-N 3.19Å; L265-I269 HydrophobicContact CD1-CD1 4.46Å; L265-I269 HydrophobicContact CG-CD1 4.11Å; L265-I269 WeakPolarHBondContact O-CG1 3.47Å; L265-I269 PolarHBondContact O-N 3.27Å; L265-I284 HydrophobicContact CD1-CG2 3.57Å; L265-A288 HydrophobicContact CD1-CB 4.17Å
266Q89Confident80.8Confident7 Ų764.4 Ų64.43%0.03335%0.352CS..Hα-helixtrans-59-43.5173.4-172.664.543.900111.7H261 D263 L268 I269 D270H261-Q266 HydrophobicContact CB-CB 3.83Å; H261-Q266 HydrophobicContact CB-CG 3.8Å; H261-Q266 PolarHBondContact CD2-OE1 2.99Å; D263-Q266 PolarHBondContact O-N 2.74Å; D263-Q266 PolarHBondContact OD1-N 2.72Å; Q266-L268 VanDerWaalsContact C-N 3.26Å; Q266-L268 PolarHBondContact O-N 3.04Å; Q266-I269 WeakPolarHBondContact O-CB 3.49Å; Q266-I269 PolarHBondContact O-N 2.99Å; Q266-I269 VanDerWaalsContact O-N 3.15Å; Q266-D270 PolarHBondContact NE2-OD1 3.15Å; Q266-D270 VanDerWaalsContact O-CG 3.3Å; Q266-D270 PolarHBondContact O-N 2.86Å
267Q84.8Confident79.7Confident42 Ų4264.7 Ų64.720%0.19635%0.35CS..Hα-helixtrans-64.3-31.9178.5-64.1-163.745.500113.1R142 A143 D263 A264 L265 S271R142-Q267 PolarHBondContact O-OE1 3.38Å; A143-Q267 HydrophobicContact CB-CB 4.21Å; D263-Q267 PolarHBondContact O-N 2.88Å; A264-Q267 PolarHBondContact O-N 3.46Å; L265-Q267 VanDerWaalsContact C-N 3.31Å; L265-Q267 PolarHBondContact O-N 3.33Å; Q267-S271 VanDerWaalsContact O-CB 3.28Å; Q267-S271 WeakPolarHBondContact O-CB 3.48Å; Q267-S271 PolarHBondContact O-N 3.31Å; Q267-S271 PolarHBondContact O-OG 2.73Å
268L84.7Confident78.5Confident15 Ų1561.6 Ų61.68%0.07935%0.347CS..Hα-helixtrans-68.7-44.4172-67.9177.1000111.8I140 A264 L265 Q266 D270 S271 S272 L291I140-L268 HydrophobicContact CG1-CD2 3.73Å; A264-L268 WeakPolarHBondContact O-CG 3.26Å; A264-L268 PolarHBondContact O-N 3.02Å; L265-L268 WeakPolarHBondContact O-CB 3.39Å; L265-L268 PolarHBondContact O-N 3.19Å; Q266-L268 VanDerWaalsContact C-N 3.26Å; Q266-L268 PolarHBondContact O-N 3.04Å; L268-D270 PolarHBondContact O-N 3.19Å; L268-S271 PolarHBondContact O-N 2.74Å; L268-S272 PolarHBondContact O-N 2.81Å; L268-L291 HydrophobicContact CD1-CD1 3.77Å
269I86.4Confident78.1Confident0 Ų062.7 Ų62.70%034%0.335CS..Hα-helixtrans-57.5-49.4175.3-70.6165.3000110.1I248 L265 Q266 S271 S272 K273 F279 I284I248-I269 HydrophobicContact CG1-CD1 4.46Å; I248-I269 HydrophobicContact CG2-CD1 4.15Å; L265-I269 HydrophobicContact CD1-CD1 4.46Å; L265-I269 HydrophobicContact CG-CD1 4.11Å; L265-I269 WeakPolarHBondContact O-CG1 3.47Å; L265-I269 PolarHBondContact O-N 3.27Å; Q266-I269 WeakPolarHBondContact O-CB 3.49Å; Q266-I269 PolarHBondContact O-N 2.99Å; Q266-I269 VanDerWaalsContact O-N 3.15Å; I269-S271 PolarHBondContact O-N 3.06Å; I269-S272 WeakPolarHBondContact O-CB 3.01Å; I269-S272 PolarHBondContact O-N 3.16Å; I269-K273 PolarHBondContact O-N 3.01Å; I269-K273 VanDerWaalsContact O-N 3.13Å; I269-F279 HydrophobicContact CG1-CE2 4.36Å; I269-F279 HydrophobicContact CG2-CE2 4.11Å; I269-I284 HydrophobicContact CG1-CD1 4.39Å; I269-I284 HydrophobicContact CG1-CG2 4.42Å
270D83.6Confident78.3Confident63 Ų6363.5 Ų63.534%0.33734%0.335SS..Hα-helixtrans-65.7-39.2-178.7-67.7-12.4000112.1Q266 L268 S272 K273 K274Q266-D270 PolarHBondContact NE2-OD1 3.15Å; Q266-D270 VanDerWaalsContact O-CG 3.3Å; Q266-D270 PolarHBondContact O-N 2.86Å; L268-D270 PolarHBondContact O-N 3.19Å; D270-S272 VanDerWaalsContact C-N 3.31Å; D270-S272 PolarHBondContact O-N 3.11Å; D270-K273 PolarHBondContact O-N 3.33Å; D270-K274 WeakPolarHBondContact O-CG 3.23Å; D270-K274 PolarHBondContact O-N 3.42Å; D270-K274 VanDerWaalsContact O-N 3.13Å
271S78.9Confident78.7Confident10 Ų1055.9 Ų55.97%0.0730%0.303CS..Hα-helixtrans-66.1-34175.9-66.30000112.1Q267 L268 I269 N275Q267-S271 VanDerWaalsContact O-CB 3.28Å; Q267-S271 WeakPolarHBondContact O-CB 3.48Å; Q267-S271 PolarHBondContact O-N 3.31Å; Q267-S271 PolarHBondContact O-OG 2.73Å; L268-S271 PolarHBondContact O-N 2.74Å; I269-S271 PolarHBondContact O-N 3.06Å; S271-N275 PolarHBondContact O-ND2 2.97Å
272S76.8Confident79.3Confident27 Ų2756.5 Ų56.519%0.18931%0.306CS..Hα-helixtrans-65.2-43.7174.2-1680000111.3L268 I269 D270 K274L268-S272 PolarHBondContact O-N 2.81Å; I269-S272 WeakPolarHBondContact O-CB 3.01Å; I269-S272 PolarHBondContact O-N 3.16Å; D270-S272 VanDerWaalsContact C-N 3.31Å; D270-S272 PolarHBondContact O-N 3.11Å; S272-K274 PolarHBondContact O-N 3.07Å
273K75.4Confident79.6Confident104 Ų10453.9 Ų53.945%0.45229%0.291SS..Hα-helixtrans-65.8-37.3-179.7-69.8178179178.20113I269 D270 N275I269-K273 PolarHBondContact O-N 3.01Å; I269-K273 VanDerWaalsContact O-N 3.13Å; D270-K273 PolarHBondContact O-N 3.33Å; K273-N275 VanDerWaalsContact C-N 3.3Å; K273-N275 PolarHBondContact O-N 3.4Å
274K68.3Low79.6Confident166 Ų16653.6 Ų53.672%0.72229%0.29SS*.Hα-helixtrans-68.6-22.7-176.9-77.8179.3-179.9176.90114.8D270 S272 G276D270-K274 WeakPolarHBondContact O-CG 3.23Å; D270-K274 PolarHBondContact O-N 3.42Å; D270-K274 VanDerWaalsContact O-N 3.13Å; S272-K274 PolarHBondContact O-N 3.07Å; K274-G276 VanDerWaalsContact C-N 3.34Å
275N62.2Low79.9Confident97 Ų9754.5 Ų54.552%0.51929%0.294SS..THydrogen-bonded Turntrans-89.22.6-174.6-69.3-17.5000113.6S271 K273 E277S271-N275 PolarHBondContact O-ND2 2.97Å; K273-N275 VanDerWaalsContact C-N 3.3Å; K273-N275 PolarHBondContact O-N 3.4Å; N275-E277 HydrophobicContact CB-CG 4.35Å; N275-E277 PolarHBondContact O-N 2.88Å; N275-E277 VanDerWaalsContact O-N 3.09Å
276G57.7Low80Confident74 Ų7455.1 Ų55.176%0.76330%0.297SS*.THydrogen-bonded Turntrans68.61.9-17800000114.4K274K274-G276 VanDerWaalsContact C-N 3.34Å
277E59.9Low80.2Confident134 Ų13455 Ų5563%0.62630%0.297SS*.  trans-74.7142174.5-69.5-70.516200110.2N275 F279N275-E277 HydrophobicContact CB-CG 4.35Å; N275-E277 PolarHBondContact O-N 2.88Å; N275-E277 VanDerWaalsContact O-N 3.09Å; E277-F279 PolarHBondContact O-N 3.12Å
278P62.7Low80.5Confident106 Ų10653 Ų5369%0.68829%0.288SS*.  trans-58139.3175.422.9-30.6000110.5N280P278-N280 PolarHBondContact O-N 3.02Å
279F74.2Confident80.9Confident82 Ų8252.3 Ų52.336%0.3628%0.284SS..  trans-61.696.8178.4-175.8-96.5000110.3I248 I269 E277 M281 I284I248-F279 HydrophobicContact CG2-CE1 4.26Å; I248-F279 HydrophobicContact CG2-CZ 3.68Å; I269-F279 HydrophobicContact CG1-CE2 4.36Å; I269-F279 HydrophobicContact CG2-CE2 4.11Å; E277-F279 PolarHBondContact O-N 3.12Å; F279-M281 HydrophobicContact CE1-CB 4.44Å; F279-M281 HydrophobicContact CE1-CE 3.82Å; F279-M281 HydrophobicContact CE1-SD 4.21Å; F279-M281 PolarHBondContact O-N 2.7Å; F279-I284 HydrophobicContact CD2-CD1 3.77Å; F279-I284 HydrophobicContact CE1-CD1 4.21Å; F279-I284 HydrophobicContact CE2-CD1 3.18Å; F279-I284 HydrophobicContact CG-CD1 4.49Å; F279-I284 HydrophobicContact CZ-CD1 3.45Å; F279-I284 VanDerWaalsContact CZ-CD1 3.45Å
280N86.6Confident81.1Confident76 Ų7653.5 Ų53.541%0.40629%0.289SS..  trans-88.896.1179.3-176.6-19.1000109.7P278 Q282 A283 I284P278-N280 PolarHBondContact O-N 3.02Å; N280-Q282 PolarHBondContact O-N 3.28Å; N280-Q282 WeakPolarHBondContact OD1-CB 3.37Å; N280-Q282 PolarHBondContact OD1-N 3.26Å; N280-A283 HydrophobicContact CB-CB 3.97Å; N280-A283 PolarHBondContact O-N 3.43Å; N280-A283 PolarHBondContact OD1-N 2.95Å; N280-I284 PolarHBondContact O-N 3.37Å
281M90.2Very high81.5Confident39 Ų3951.1 Ų51.119%0.19228%0.277CS..Hα-helixtrans-52.8-43178-178.161.784.200112.1E245 I248 K249 F279 I284 K285E245-M281 HydrophobicContact CG-CE 3.91Å; E245-M281 HydrophobicContact CG-CG 4.01Å; E245-M281 HydrophobicContact CG-SD 3.91Å; I248-M281 HydrophobicContact CB-CE 4.23Å; I248-M281 HydrophobicContact CB-SD 4.09Å; I248-M281 HydrophobicContact CD1-SD 3.61Å; I248-M281 HydrophobicContact CG1-SD 4.46Å; I248-M281 HydrophobicContact CG2-CE 3.72Å; I248-M281 HydrophobicContact CG2-SD 3.81Å; K249-M281 HydrophobicContact CG-CE 4.24Å; F279-M281 HydrophobicContact CE1-CB 4.44Å; F279-M281 HydrophobicContact CE1-CE 3.82Å; F279-M281 HydrophobicContact CE1-SD 4.21Å; F279-M281 PolarHBondContact O-N 2.7Å; M281-I284 PolarHBondContact O-N 3.23Å; M281-K285 HydrophobicContact CG-CD 4.25Å; M281-K285 HydrophobicContact CG-CG 4.46Å; M281-K285 WeakPolarHBondContact O-CG 3.44Å; M281-K285 PolarHBondContact O-N 2.73Å; M281-K285 HydrophobicContact SD-CG 4.41Å
282Q92.3Very high82.1Confident57 Ų5750.7 Ų50.727%0.26627%0.274SS..Hα-helixtrans-64.3-45.1-178.2-177.361.420.800111.5N280 I284 K285 E286N280-Q282 PolarHBondContact O-N 3.28Å; N280-Q282 WeakPolarHBondContact OD1-CB 3.37Å; N280-Q282 PolarHBondContact OD1-N 3.26Å; Q282-I284 VanDerWaalsContact C-N 3.26Å; Q282-I284 PolarHBondContact O-N 2.78Å; Q282-K285 PolarHBondContact O-N 2.59Å; Q282-E286 PolarHBondContact NE2-OE1 3.38Å; Q282-E286 WeakPolarHBondContact O-CG 3.39Å; Q282-E286 PolarHBondContact O-N 2.99Å
283A89.9Confident82.7Confident18 Ų1851.4 Ų51.415%0.14927%0.273CS..Hα-helixtrans-62.4-33.1178.100000112.7D123 N280 S287D123-A283 HydrophobicContact CB-CB 4.02Å; N280-A283 HydrophobicContact CB-CB 3.97Å; N280-A283 PolarHBondContact O-N 3.43Å; N280-A283 PolarHBondContact OD1-N 2.95Å; A283-S287 WeakPolarHBondContact O-CB 3.29Å; A283-S287 PolarHBondContact O-N 3.48Å; A283-S287 VanDerWaalsContact O-N 3.07Å; A283-S287 PolarHBondContact O-OG 3.28Å
284I90.3Very high83.4Confident8 Ų848.1 Ų48.14%0.04127%0.269CS..Hα-helixtrans-72.2-44.8175.8-62.8171.1000110.5I248 L265 I269 F279 N280 M281 Q282 E286 S287 A288I248-I284 HydrophobicContact CD1-CB 4.27Å; I248-I284 HydrophobicContact CD1-CG2 3.6Å; I248-I284 HydrophobicContact CG1-CG2 4.37Å; L265-I284 HydrophobicContact CD1-CG2 3.57Å; I269-I284 HydrophobicContact CG1-CD1 4.39Å; I269-I284 HydrophobicContact CG1-CG2 4.42Å; F279-I284 HydrophobicContact CD2-CD1 3.77Å; F279-I284 HydrophobicContact CE1-CD1 4.21Å; F279-I284 HydrophobicContact CE2-CD1 3.18Å; F279-I284 HydrophobicContact CG-CD1 4.49Å; F279-I284 HydrophobicContact CZ-CD1 3.45Å; F279-I284 VanDerWaalsContact CZ-CD1 3.45Å; N280-I284 PolarHBondContact O-N 3.37Å; M281-I284 PolarHBondContact O-N 3.23Å; Q282-I284 VanDerWaalsContact C-N 3.26Å; Q282-I284 PolarHBondContact O-N 2.78Å; I284-E286 VanDerWaalsContact C-N 3.3Å; I284-E286 PolarHBondContact O-N 2.91Å; I284-S287 PolarHBondContact O-N 3.45Å; I284-A288 VanDerWaalsContact O-CB 3.29Å; I284-A288 WeakPolarHBondContact O-CB 3.38Å; I284-A288 PolarHBondContact O-N 2.8Å
285K93.4Very high84.4Confident20 Ų2040.7 Ų40.79%0.08724%0.24CC..Hα-helixtrans-57.9-41.7175.1-69.4-174.4-57.2-174.70112.6H241 I244 E245 I248 M281 Q282 A288 T289H241-K285 HydrophobicContact CB-CD 4.04Å; H241-K285 VanDerWaalsContact O-CD 3.29Å; H241-K285 WeakPolarHBondContact O-CD 3.43Å; I244-K285 HydrophobicContact CB-CG 4.47Å; I244-K285 HydrophobicContact CG2-CG 4.05Å; E245-K285 HydrophobicContact CB-CD 3.88Å; E245-K285 HydrophobicContact CG-CD 4.37Å; E245-K285 IonicContact OE2-NZ 2.82Å; E245-K285 PolarHBondContact OE2-NZ 2.99Å; I248-K285 HydrophobicContact CD1-CG 4.13Å; M281-K285 HydrophobicContact CG-CD 4.25Å; M281-K285 HydrophobicContact CG-CG 4.46Å; M281-K285 WeakPolarHBondContact O-CG 3.44Å; M281-K285 PolarHBondContact O-N 2.73Å; M281-K285 HydrophobicContact SD-CG 4.41Å; Q282-K285 PolarHBondContact O-N 2.59Å; K285-A288 PolarHBondContact O-N 3.29Å; K285-T289 WeakPolarHBondContact O-CB 3.23Å; K285-T289 PolarHBondContact O-N 2.89Å; K285-T289 PolarHBondContact O-OG1 3.24Å
286E93.5Very high85.9Confident12 Ų1236.3 Ų36.36%0.05622%0.216CC..Hα-helixtrans-66.4-42.2176.1-71.2-177-171.700111.7G121 M122 D123 T124 Q282 I284 T289 E290G121-E286 VanDerWaalsContact CA-CD 3.46Å; G121-E286 VanDerWaalsContact CA-OE2 3.31Å; G121-E286 WeakPolarHBondContact CA-OE2 3.36Å; M122-E286 PolarHBondContact N-OE2 2.73Å; M122-E286 VanDerWaalsContact N-OE2 3.15Å; D123-E286 WeakPolarHBondContact CA-OE2 3.39Å; D123-E286 VanDerWaalsContact CB-OE2 3.3Å; D123-E286 WeakPolarHBondContact CB-OE2 3.26Å; D123-E286 PolarHBondContact N-OE2 3.33Å; T124-E286 HydrophobicContact CG2-CB 3.95Å; Q282-E286 PolarHBondContact NE2-OE1 3.38Å; Q282-E286 WeakPolarHBondContact O-CG 3.39Å; Q282-E286 PolarHBondContact O-N 2.99Å; I284-E286 VanDerWaalsContact C-N 3.3Å; I284-E286 PolarHBondContact O-N 2.91Å; E286-T289 PolarHBondContact O-N 3.48Å; E286-E290 WeakPolarHBondContact O-CB 3.42Å; E286-E290 PolarHBondContact O-N 3.12Å
287S91.8Very high87.4Confident6 Ų633 Ų334%0.04218%0.181CC..Hα-helixtrans-63.2-44175.9-50.40000112K136 A283 I284 E290 L291K136-S287 WeakPolarHBondContact CE-OG 3.26Å; K136-S287 PolarHBondContact NZ-OG 3.21Å; A283-S287 WeakPolarHBondContact O-CB 3.29Å; A283-S287 PolarHBondContact O-N 3.48Å; A283-S287 VanDerWaalsContact O-N 3.07Å; A283-S287 PolarHBondContact O-OG 3.28Å; I284-S287 PolarHBondContact O-N 3.45Å; S287-E290 PolarHBondContact O-N 2.91Å; S287-L291 WeakPolarHBondContact O-CG 3.34Å; S287-L291 PolarHBondContact O-N 2.83Å
288A91.9Very high89.1Confident0 Ų028.5 Ų28.50%016%0.163CC..Hα-helixtrans-59.1-48.3176.200000111.4L193 I244 L265 I284 K285 E290 L291 L292L193-A288 HydrophobicContact CD2-CB 3.48Å; L193-A288 VanDerWaalsContact CD2-CB 3.48Å; I244-A288 HydrophobicContact CD1-CB 3.98Å; I244-A288 HydrophobicContact CG2-CB 3.86Å; L265-A288 HydrophobicContact CD1-CB 4.17Å; I284-A288 VanDerWaalsContact O-CB 3.29Å; I284-A288 WeakPolarHBondContact O-CB 3.38Å; I284-A288 PolarHBondContact O-N 2.8Å; K285-A288 PolarHBondContact O-N 3.29Å; A288-E290 VanDerWaalsContact C-N 3.33Å; A288-E290 PolarHBondContact O-N 2.93Å; A288-L291 PolarHBondContact O-N 2.79Å; A288-L292 PolarHBondContact O-N 3.18Å
289T92.3Very high90.8Very high0 Ų023.6 Ų23.60%013%0.131CC..Hα-helixtrans-62.1-39.7177.1-57.30000111.7M214 H241 I244 K285 E286 L292 F293M214-T289 HydrophobicContact CE-CG2 3.78Å; M214-T289 HydrophobicContact SD-CG2 3.8Å; H241-T289 PolarHBondContact CD2-OG1 3.4Å; H241-T289 PolarHBondContact NE2-OG1 3.38Å; I244-T289 WeakPolarHBondContact CD1-OG1 3.39Å; K285-T289 WeakPolarHBondContact O-CB 3.23Å; K285-T289 PolarHBondContact O-N 2.89Å; K285-T289 PolarHBondContact O-OG1 3.24Å; E286-T289 PolarHBondContact O-N 3.48Å; T289-L292 PolarHBondContact O-N 2.88Å; T289-F293 WeakPolarHBondContact O-CB 3.42Å; T289-F293 PolarHBondContact O-N 2.76Å
290E91.7Very high91.9Very high24 Ų2419.7 Ų19.711%0.11211%0.114CC..Hα-helixtrans-64.7-41.6174.9177.8176.5-131.900112.7T124 L125 S126 E286 S287 A288 F293 G294T124-E290 HydrophobicContact CG2-CB 4.03Å; L125-E290 WeakPolarHBondContact CB-OE2 3.45Å; L125-E290 PolarHBondContact N-OE1 3.32Å; L125-E290 PolarHBondContact N-OE2 2.82Å; S126-E290 WeakPolarHBondContact CA-OE1 3.42Å; S126-E290 WeakPolarHBondContact CB-OE1 3.33Å; S126-E290 PolarHBondContact N-OE1 3.33Å; S126-E290 PolarHBondContact OG-OE1 3.05Å; E286-E290 WeakPolarHBondContact O-CB 3.42Å; E286-E290 PolarHBondContact O-N 3.12Å; S287-E290 PolarHBondContact O-N 2.91Å; A288-E290 VanDerWaalsContact C-N 3.33Å; A288-E290 PolarHBondContact O-N 2.93Å; E290-F293 PolarHBondContact O-N 3.49Å; E290-G294 PolarHBondContact O-N 2.88Å
291L91.7Very high92.4Very high13 Ų1316 Ų167%0.0689%0.094CC..Hα-helixtrans-62.3-46.7175.2-71.9-174.7000111.2I140 F144 L192 A264 L268 S287 A288 G294 G295I140-L291 HydrophobicContact CG2-CD2 3.98Å; F144-L291 HydrophobicContact CE2-CD2 3.89Å; F144-L291 HydrophobicContact CZ-CD2 3.9Å; L192-L291 HydrophobicContact CB-CB 4.27Å; L192-L291 HydrophobicContact CD1-CB 4.17Å; L192-L291 VanDerWaalsContact CD1-O 3.27Å; L192-L291 WeakPolarHBondContact CD1-O 3.44Å; A264-L291 HydrophobicContact CB-CD1 4.1Å; L268-L291 HydrophobicContact CD1-CD1 3.77Å; S287-L291 WeakPolarHBondContact O-CG 3.34Å; S287-L291 PolarHBondContact O-N 2.83Å; A288-L291 PolarHBondContact O-N 2.79Å; L291-G294 PolarHBondContact O-N 3.39Å; L291-G295 PolarHBondContact O-N 3.35Å
292L91.1Very high92.8Very high2 Ų214.4 Ų14.41%0.019%0.086CC..Hα-helixtrans-59.4-48.2176.5-178.663000111.2F185 A188 M189 L193 F211 A288 T289 G294 G295 H296F185-L292 HydrophobicContact CD2-CD1 4.22Å; F185-L292 HydrophobicContact CE2-CD1 4.13Å; F185-L292 HydrophobicContact CE2-CD2 4.08Å; F185-L292 HydrophobicContact CE2-CG 4.48Å; A188-L292 HydrophobicContact CB-CD1 3.58Å; M189-L292 HydrophobicContact CG-CD1 4.36Å; M189-L292 HydrophobicContact SD-CD1 4.13Å; M189-L292 HydrophobicContact SD-CD2 4.12Å; L193-L292 HydrophobicContact CD1-CB 4.37Å; L193-L292 HydrophobicContact CD1-CD2 4.04Å; F211-L292 HydrophobicContact CD2-CD2 3.81Å; F211-L292 HydrophobicContact CD2-CG 4.19Å; F211-L292 HydrophobicContact CE1-CG 4.35Å; F211-L292 HydrophobicContact CE2-CB 4.34Å; F211-L292 HydrophobicContact CE2-CD2 3.75Å; F211-L292 HydrophobicContact CE2-CG 3.62Å; F211-L292 HydrophobicContact CG-CD2 4.41Å; F211-L292 HydrophobicContact CZ-CD1 4.47Å; F211-L292 HydrophobicContact CZ-CD2 4.24Å; F211-L292 HydrophobicContact CZ-CG 3.7Å; A288-L292 PolarHBondContact O-N 3.18Å; T289-L292 PolarHBondContact O-N 2.88Å; L292-G294 PolarHBondContact O-N 3.46Å; L292-G295 PolarHBondContact O-N 3.31Å; L292-H296 VanDerWaalsContact O-CB 3.29Å; L292-H296 WeakPolarHBondContact O-CB 3.41Å; L292-H296 PolarHBondContact O-N 3.49Å; L292-H296 VanDerWaalsContact O-N 3.13Å
293F89.7Confident93.1Very high41 Ų4111.7 Ų11.718%0.187%0.074CC..Hα-helixtrans-56.5-50.5175.3170-113.1000112.4L120 F211 I215 L218 T289 E290L120-F293 HydrophobicContact CD1-CD1 4.14Å; L120-F293 HydrophobicContact CD1-CE1 4.25Å; L120-F293 HydrophobicContact CD2-CB 4.33Å; L120-F293 HydrophobicContact CD2-CD1 4.28Å; L120-F293 HydrophobicContact CD2-CG 4.25Å; F211-F293 HydrophobicContact CE2-CB 4.45Å; I215-F293 HydrophobicContact CD1-CD2 4.48Å; I215-F293 HydrophobicContact CG1-CD2 4.08Å; I215-F293 HydrophobicContact CG1-CE2 4.4Å; L218-F293 HydrophobicContact CD1-CD2 3.79Å; L218-F293 HydrophobicContact CD1-CE2 3.26Å; L218-F293 HydrophobicContact CD1-CZ 3.7Å; T289-F293 WeakPolarHBondContact O-CB 3.42Å; T289-F293 PolarHBondContact O-N 2.76Å; E290-F293 PolarHBondContact O-N 3.49Å
294G89.8Confident93.5Very high35 Ų3511 Ų1136%0.3617%0.067SC..Hα-helixtrans-66.6-38.6-17800000113.4E290 L291 L292 T298E290-G294 PolarHBondContact O-N 2.88Å; L291-G294 PolarHBondContact O-N 3.39Å; L292-G294 PolarHBondContact O-N 3.46Å; G294-T298 PolarHBondContact O-OG1 3.29Å
295G89.8Confident93.9Very high11 Ų1110.6 Ų10.611%0.1137%0.065CC..Hα-helixtrans-81.9-17.4-174.900000115.5L291 L292 T299L291-G295 PolarHBondContact O-N 3.35Å; L292-G295 PolarHBondContact O-N 3.31Å; G295-T299 WeakPolarHBondContact O-CG2 3.2Å; G295-T299 PolarHBondContact O-OG1 3.17Å
296H92.6Very high94.2Very high4 Ų49.6 Ų9.62%0.0196%0.061CC..Hα-helixtrans-92.8-66.8-176.9167-102.8000113.8K181 F185 F211 L292 T298 T299 A300K181-H296 VanDerWaalsContact CE-CE1 3.47Å; K181-H296 WeakPolarHBondContact CE-CE1 3.13Å; K181-H296 PolarHBondContact O-CD2 3.25Å; K181-H296 PolarHBondContact O-NE2 2.91Å; F185-H296 PolarHBondContact N-CD2 2.97Å; F211-H296 HydrophobicContact CE1-CB 3.78Å; F211-H296 AromaticContact CE1-CE1 3.77Å; F211-H296 AromaticContact CE1-CG 3.51Å; F211-H296 AromaticContact CE1-ND1 3.28Å; F211-H296 VanDerWaalsContact CE1-ND1 3.28Å; F211-H296 WeakPolarHBondContact CE1-ND1 3.31Å; F211-H296 HydrophobicContact CZ-CB 4Å; L292-H296 VanDerWaalsContact O-CB 3.29Å; L292-H296 WeakPolarHBondContact O-CB 3.41Å; L292-H296 PolarHBondContact O-N 3.49Å; L292-H296 VanDerWaalsContact O-N 3.13Å; H296-T298 VanDerWaalsContact C-N 3.3Å; H296-T298 PolarHBondContact O-N 3.15Å; H296-T299 PolarHBondContact O-N 3.43Å; H296-T299 PolarHBondContact O-OG1 3.05Å; H296-A300 VanDerWaalsContact O-CB 3.3Å; H296-A300 WeakPolarHBondContact O-CB 3.42Å; H296-A300 PolarHBondContact O-N 3.29Å
297E90.3Very high94.4Very high5 Ų59 Ų92%0.0236%0.059CC..Hα-helixtrans-65.7-35.9-167.2-81.3-66.315100112.1K181 I215 S301 T471K181-E297 WeakPolarHBondContact CE-OE1 3Å; K181-E297 IonicContact NZ-OE1 2.81Å; K181-E297 PolarHBondContact NZ-OE1 2.76Å; I215-E297 HydrophobicContact CD1-CG 3.65Å; I215-E297 HydrophobicContact CG2-CG 4.25Å; E297-S301 WeakPolarHBondContact O-CB 3.33Å; E297-S301 PolarHBondContact O-N 3.23Å; E297-S301 VanDerWaalsContact O-N 3.1Å; E297-T471 HydrophobicContact CB-CG2 3.85Å; E297-T471 PolarHBondContact OE2-OG1 2.91Å
298T96Very high94.7Very high39 Ų399.2 Ų9.224%0.2396%0.059CC..Hα-helixtrans-74.5-40.5-175.664.50000112.3G294 H296 T302 P361 V362 T471G294-T298 PolarHBondContact O-OG1 3.29Å; H296-T298 VanDerWaalsContact C-N 3.3Å; H296-T298 PolarHBondContact O-N 3.15Å; T298-T302 PolarHBondContact O-N 3.13Å; T298-T302 VanDerWaalsContact O-N 3.08Å; T298-T302 PolarHBondContact O-OG1 3.22Å; T298-P361 HydrophobicContact CG2-CB 4.37Å; T298-P361 VanDerWaalsContact O-CG 3.28Å; T298-P361 WeakPolarHBondContact O-CG 3.29Å; T298-V362 HydrophobicContact CG2-CG2 3.81Å; T298-T471 HydrophobicContact CG2-CG2 4.4Å
299T97.4Very high95Very high3 Ų310.2 Ų10.22%0.0186%0.063CC..Hα-helixtrans-73.2-39.2178.255.80000110.4M184 G295 H296 S301 T302 A303 A440 L443M184-T299 WeakPolarHBondContact CG-OG1 3.37Å; G295-T299 WeakPolarHBondContact O-CG2 3.2Å; G295-T299 PolarHBondContact O-OG1 3.17Å; H296-T299 PolarHBondContact O-N 3.43Å; H296-T299 PolarHBondContact O-OG1 3.05Å; T299-S301 PolarHBondContact O-N 3.38Å; T299-T302 PolarHBondContact O-N 3.03Å; T299-A303 WeakPolarHBondContact O-CB 3.47Å; T299-A303 PolarHBondContact O-N 3.18Å; T299-A440 HydrophobicContact CG2-CB 4.21Å; T299-L443 HydrophobicContact CG2-CD2 3.7Å
300A97.3Very high95.3Very high0 Ų010.2 Ų10.20%06%0.063CC..Hα-helixtrans-62.9-44.317600000111.8M180 K181 M184 H296 T302 A303 T304M180-A300 HydrophobicContact CB-CB 4.13Å; K181-A300 HydrophobicContact CG-CB 4.03Å; M184-A300 HydrophobicContact CB-CB 4.2Å; M184-A300 HydrophobicContact CG-CB 3.84Å; H296-A300 VanDerWaalsContact O-CB 3.3Å; H296-A300 WeakPolarHBondContact O-CB 3.42Å; H296-A300 PolarHBondContact O-N 3.29Å; A300-T302 VanDerWaalsContact C-N 3.35Å; A300-T302 PolarHBondContact O-N 3.41Å; A300-A303 PolarHBondContact O-N 3.19Å; A300-T304 WeakPolarHBondContact O-CB 3.24Å; A300-T304 PolarHBondContact O-N 3.46Å; A300-T304 PolarHBondContact O-OG1 3.31Å
301S97.8Very high95.6Very high0 Ų010.1 Ų10.10%07%0.069CC..Hα-helixtrans-58.5-43.8172.8174.80000112.4E297 T299 S305 V472E297-S301 WeakPolarHBondContact O-CB 3.33Å; E297-S301 PolarHBondContact O-N 3.23Å; E297-S301 VanDerWaalsContact O-N 3.1Å; T299-S301 PolarHBondContact O-N 3.38Å; S301-S305 WeakPolarHBondContact O-CB 3.49Å; S301-S305 PolarHBondContact O-N 2.92Å; S301-S305 PolarHBondContact O-OG 3.26Å; S301-V472 VanDerWaalsContact CB-O 3.31Å; S301-V472 WeakPolarHBondContact CB-O 3.29Å; S301-V472 PolarHBondContact OG-N 3.09Å; S301-V472 PolarHBondContact OG-O 2.91Å
302T98.6Very high95.9Very high5 Ų512.6 Ų12.63%0.0318%0.081CC..Hα-helixtrans-69-47179-50.10000111.7T298 T299 A300 T304 S305 L306 T355 L356 P361 L444T298-T302 PolarHBondContact O-N 3.13Å; T298-T302 VanDerWaalsContact O-N 3.08Å; T298-T302 PolarHBondContact O-OG1 3.22Å; T299-T302 PolarHBondContact O-N 3.03Å; A300-T302 VanDerWaalsContact C-N 3.35Å; A300-T302 PolarHBondContact O-N 3.41Å; T302-T304 VanDerWaalsContact C-N 3.33Å; T302-T304 PolarHBondContact O-N 2.89Å; T302-S305 CarbonylContact O-C 3.44Å; T302-S305 WeakPolarHBondContact O-CB 3.25Å; T302-S305 PolarHBondContact O-N 3.43Å; T302-S305 VanDerWaalsContact O-N 3.12Å; T302-L306 HydrophobicContact CG2-CD1 4.42Å; T302-L306 WeakPolarHBondContact O-CG 3.42Å; T302-L306 PolarHBondContact O-N 3.27Å; T302-T355 HydrophobicContact CG2-CG2 4.18Å; T302-L356 HydrophobicContact CG2-CD2 3.71Å; T302-L356 HydrophobicContact CG2-CG 4.2Å; T302-P361 WeakPolarHBondContact OG1-CG 3.48Å; T302-L444 HydrophobicContact CG2-CD1 3.54Å; T302-L444 HydrophobicContact CG2-CD2 4Å; T302-L444 HydrophobicContact CG2-CG 4.43Å
303A98.6Very high96.2Very high0 Ų015 Ų150%010%0.095CC..Hα-helixtrans-61.8-40.4179.100000112M180 M184 T299 A300 S305 L306 I307 L444 F447M180-A303 HydrophobicContact CG-CB 4.09Å; M180-A303 HydrophobicContact SD-CB 3.6Å; M180-A303 VanDerWaalsContact SD-CB 3.6Å; M184-A303 HydrophobicContact CE-CB 3.55Å; T299-A303 WeakPolarHBondContact O-CB 3.47Å; T299-A303 PolarHBondContact O-N 3.18Å; A300-A303 PolarHBondContact O-N 3.19Å; A303-S305 VanDerWaalsContact C-N 3.35Å; A303-S305 PolarHBondContact O-N 3.04Å; A303-L306 WeakPolarHBondContact O-CB 3.46Å; A303-L306 PolarHBondContact O-N 3.35Å; A303-I307 PolarHBondContact O-N 3.39Å; A303-I307 VanDerWaalsContact O-N 3.07Å; A303-L444 HydrophobicContact CB-CD2 4.1Å; A303-F447 HydrophobicContact CB-CD1 4.01Å; A303-F447 HydrophobicContact CB-CE1 3.74Å; A303-F447 HydrophobicContact CB-CZ 4.14Å
304T98.6Very high96.5Very high2 Ų217 Ų171%0.01211%0.112CC..Hα-helixtrans-61.3-44.7172.5-56.80000111.2V176 Y177 M180 A300 T302 L306 I307 M308 P474 L478V176-T304 HydrophobicContact CG1-CG2 4.19Å; Y177-T304 HydrophobicContact CD2-CG2 4.21Å; M180-T304 WeakPolarHBondContact CB-OG1 3.26Å; M180-T304 VanDerWaalsContact CG-OG1 3.29Å; M180-T304 WeakPolarHBondContact CG-OG1 3.31Å; A300-T304 WeakPolarHBondContact O-CB 3.24Å; A300-T304 PolarHBondContact O-N 3.46Å; A300-T304 PolarHBondContact O-OG1 3.31Å; T302-T304 VanDerWaalsContact C-N 3.33Å; T302-T304 PolarHBondContact O-N 2.89Å; T304-L306 VanDerWaalsContact C-N 3.28Å; T304-L306 PolarHBondContact O-N 3.5Å; T304-I307 PolarHBondContact O-N 2.93Å; T304-M308 PolarHBondContact O-N 3.25Å; T304-P474 HydrophobicContact CG2-CG 3.74Å; T304-L478 HydrophobicContact CG2-CD2 3.97Å
305S98.5Very high96.8Very high0 Ų021.4 Ų21.40%012%0.123CC..Hα-helixtrans-64.2-34.4177.3-60.10000112S301 T302 A303 M308 F309S301-S305 WeakPolarHBondContact O-CB 3.49Å; S301-S305 PolarHBondContact O-N 2.92Å; S301-S305 PolarHBondContact O-OG 3.26Å; T302-S305 CarbonylContact O-C 3.44Å; T302-S305 WeakPolarHBondContact O-CB 3.25Å; T302-S305 PolarHBondContact O-N 3.43Å; T302-S305 VanDerWaalsContact O-N 3.12Å; A303-S305 VanDerWaalsContact C-N 3.35Å; A303-S305 PolarHBondContact O-N 3.04Å; S305-M308 PolarHBondContact O-N 3.21Å; S305-F309 WeakPolarHBondContact O-CD2 3.5Å; S305-F309 PolarHBondContact O-N 3.01Å
306L98.7Very high97.2Very high0 Ų021.1 Ų21.10%012%0.12CC..Hα-helixtrans-63.1-50.1174.6-76.3167.1000111.5T302 A303 T304 M308 F309 L310 V351 I352 T355 L444 L448T302-L306 HydrophobicContact CG2-CD1 4.42Å; T302-L306 WeakPolarHBondContact O-CG 3.42Å; T302-L306 PolarHBondContact O-N 3.27Å; A303-L306 WeakPolarHBondContact O-CB 3.46Å; A303-L306 PolarHBondContact O-N 3.35Å; T304-L306 VanDerWaalsContact C-N 3.28Å; T304-L306 PolarHBondContact O-N 3.5Å; L306-M308 VanDerWaalsContact C-N 3.27Å; L306-M308 PolarHBondContact O-N 2.89Å; L306-F309 PolarHBondContact O-N 3.28Å; L306-L310 VanDerWaalsContact O-CB 3.26Å; L306-L310 WeakPolarHBondContact O-CB 3.45Å; L306-L310 WeakPolarHBondContact O-CG 3.13Å; L306-L310 PolarHBondContact O-N 2.63Å; L306-V351 HydrophobicContact CD2-CG1 3.78Å; L306-I352 HydrophobicContact CD1-CG1 4.43Å; L306-I352 HydrophobicContact CD2-CG1 4.45Å; L306-T355 HydrophobicContact CD2-CG2 4.11Å; L306-T355 WeakPolarHBondContact CD2-OG1 3.31Å; L306-T355 HydrophobicContact CG-CG2 4.06Å; L306-L444 HydrophobicContact CD1-CB 4.43Å; L306-L444 HydrophobicContact CD1-CD2 3.98Å; L306-L448 HydrophobicContact CB-CD2 4.05Å; L306-L448 HydrophobicContact CD1-CD1 4Å; L306-L448 HydrophobicContact CD1-CD2 3.97Å; L306-L448 HydrophobicContact CD1-CG 3.89Å; L306-L448 HydrophobicContact CD2-CD1 3.95Å; L306-L448 HydrophobicContact CD2-CD2 4.1Å; L306-L448 HydrophobicContact CD2-CG 4.42Å; L306-L448 HydrophobicContact CG-CD2 4.26Å
307I98.6Very high97.4Very high0 Ų021.5 Ų21.50%012%0.122CC..Hα-helixtrans-56.9-43.8176.2-64.5-61.1000110.9V176 A303 T304 G311 F447 V451 W457 L478 T480 F482V176-I307 HydrophobicContact CG1-CB 4.1Å; V176-I307 HydrophobicContact CG1-CG1 4.08Å; V176-I307 HydrophobicContact CG1-CG2 4.14Å; V176-I307 HydrophobicContact CG2-CG2 4.09Å; A303-I307 PolarHBondContact O-N 3.39Å; A303-I307 VanDerWaalsContact O-N 3.07Å; T304-I307 PolarHBondContact O-N 2.93Å; I307-G311 PolarHBondContact O-N 2.89Å; I307-F447 HydrophobicContact CD1-CE1 4.17Å; I307-F447 HydrophobicContact CD1-CZ 3.81Å; I307-F447 HydrophobicContact CG1-CE1 4.24Å; I307-F447 HydrophobicContact CG1-CZ 3.9Å; I307-V451 HydrophobicContact CD1-CG1 3.73Å; I307-V451 HydrophobicContact CD1-CG2 4.34Å; I307-W457 HydrophobicContact CD1-CZ2 4.44Å; I307-W457 PolarHBondContact O-NE1 3.44Å; I307-L478 HydrophobicContact CB-CD2 4.35Å; I307-L478 HydrophobicContact CG2-CD2 4.1Å; I307-T480 HydrophobicContact CG2-CG2 4.46Å; I307-F482 HydrophobicContact CD1-CE1 4.34Å; I307-F482 HydrophobicContact CD1-CZ 4.4Å; I307-F482 HydrophobicContact CG2-CZ 4.19Å
308M98.4Very high97.7Very high10 Ų1025.8 Ų25.85%0.04915%0.145CC..Hα-helixtrans-61.7-56.6177.5-177.5-161.67300111.9T304 S305 L306 L310 G311 L312 L459 P464 M466 L478T304-M308 PolarHBondContact O-N 3.25Å; S305-M308 PolarHBondContact O-N 3.21Å; L306-M308 VanDerWaalsContact C-N 3.27Å; L306-M308 PolarHBondContact O-N 2.89Å; M308-L310 PolarHBondContact O-N 3.46Å; M308-G311 PolarHBondContact O-N 3.48Å; M308-L312 HydrophobicContact CG-CD1 4.21Å; M308-L312 WeakPolarHBondContact O-CG 3.31Å; M308-L312 PolarHBondContact O-N 2.91Å; M308-L459 HydrophobicContact CG-CD1 4.38Å; M308-P464 HydrophobicContact CG-CG 3.93Å; M308-P464 HydrophobicContact SD-CG 3.46Å; M308-P464 WeakPolarHBondContact SD-CG 3.29Å; M308-M466 HydrophobicContact SD-CE 4.34Å; M308-M466 HydrophobicContact SD-CG 4.17Å; M308-M466 HydrophobicContact SD-SD 3.62Å; M308-M466 VanDerWaalsContact SD-SD 3.62Å; M308-L478 HydrophobicContact CB-CD1 4.09Å; M308-L478 HydrophobicContact CB-CD2 3.86Å; M308-L478 HydrophobicContact CG-CD1 4.05Å
309F98.5Very high97.7Very high20 Ų2027.3 Ų27.39%0.08815%0.148CC..Hα-helixtrans-63.3-42.3-176.1-76.2-56.8000112S305 L306 L312 N313 T355 I358 N359 F406S305-F309 WeakPolarHBondContact O-CD2 3.5Å; S305-F309 PolarHBondContact O-N 3.01Å; L306-F309 PolarHBondContact O-N 3.28Å; F309-L312 PolarHBondContact O-N 3.38Å; F309-N313 WeakPolarHBondContact O-CB 3.44Å; F309-N313 PolarHBondContact O-N 3Å; F309-N313 PolarHBondContact O-ND2 3.07Å; F309-T355 HydrophobicContact CD2-CG2 3.93Å; F309-T355 HydrophobicContact CE2-CG2 4.12Å; F309-I358 HydrophobicContact CE1-CD1 4.16Å; F309-I358 HydrophobicContact CE1-CG2 4.18Å; F309-I358 HydrophobicContact CE2-CB 4.29Å; F309-I358 HydrophobicContact CE2-CG2 4.46Å; F309-I358 HydrophobicContact CZ-CB 3.8Å; F309-I358 HydrophobicContact CZ-CD1 4.12Å; F309-I358 HydrophobicContact CZ-CG2 3.54Å; F309-N359 HydrophobicContact CE2-CB 4.19Å; F309-N359 WeakPolarHBondContact CE2-ND2 3.21Å; F309-N359 WeakPolarHBondContact CZ-ND2 3.28Å; F309-F406 HydrophobicContact CB-CD1 4.17Å; F309-F406 HydrophobicContact CB-CD2 3.75Å; F309-F406 HydrophobicContact CB-CE1 4.04Å; F309-F406 HydrophobicContact CB-CE2 3.62Å; F309-F406 HydrophobicContact CB-CG 4.03Å; F309-F406 HydrophobicContact CB-CZ 3.77Å; F309-F406 HydrophobicContact CD1-CB 4.12Å; F309-F406 AromaticContact CD1-CD2 3.61Å; F309-F406 HydrophobicContact CD1-CD2 3.61Å; F309-F406 HydrophobicContact CD1-CE2 4.23Å; F309-F406 AromaticContact CD1-CG 3.95Å; F309-F406 HydrophobicContact CD1-CG 3.95Å; F309-F406 AromaticContact CD2-CD2 3.92Å; F309-F406 HydrophobicContact CD2-CD2 3.92Å; F309-F406 AromaticContact CD2-CE2 3.77Å; F309-F406 HydrophobicContact CD2-CE2 3.77Å; F309-F406 HydrophobicContact CE1-CD2 4.17Å; F309-F406 HydrophobicContact CE2-CD2 4.44Å; F309-F406 AromaticContact CG-CD2 3.5Å; F309-F406 HydrophobicContact CG-CD2 3.5Å; F309-F406 VanDerWaalsContact CG-CD2 3.5Å; F309-F406 AromaticContact CG-CE2 3.63Å; F309-F406 HydrophobicContact CG-CE2 3.63Å; F309-F406 HydrophobicContact CG-CG 4.08Å; F309-F406 HydrophobicContact CG-CZ 4.3Å
310L98.4Very high97.6Very high1 Ų127.3 Ų27.31%0.00515%0.148CC..Hα-helixtrans-70.3-35.1178.9-70.8177.1000112.3L306 M308 L312 N313 A316 V317 L320 V351 L448 V452 W457L306-L310 VanDerWaalsContact O-CB 3.26Å; L306-L310 WeakPolarHBondContact O-CB 3.45Å; L306-L310 WeakPolarHBondContact O-CG 3.13Å; L306-L310 PolarHBondContact O-N 2.63Å; M308-L310 PolarHBondContact O-N 3.46Å; L310-L312 PolarHBondContact O-N 2.95Å; L310-N313 CarbonylContact O-C 3.59Å; L310-N313 VanDerWaalsContact O-C 3.28Å; L310-N313 PolarHBondContact O-N 3.49Å; L310-N313 VanDerWaalsContact O-N 3.13Å; L310-A316 HydrophobicContact CD2-CB 3.82Å; L310-V317 HydrophobicContact CB-CG2 3.83Å; L310-V317 HydrophobicContact CD2-CG2 4.12Å; L310-V317 HydrophobicContact CG-CG2 4.44Å; L310-L320 HydrophobicContact CD1-CD1 3.89Å; L310-L320 HydrophobicContact CD2-CD1 3.75Å; L310-V351 HydrophobicContact CD1-CG1 4.36Å; L310-V351 HydrophobicContact CD2-CG1 3.97Å; L310-V351 HydrophobicContact CG-CG1 4.34Å; L310-L448 HydrophobicContact CD1-CD2 3.56Å; L310-V452 HydrophobicContact CD1-CG2 4.5Å; L310-W457 HydrophobicContact CB-CH2 4.24Å; L310-W457 HydrophobicContact CB-CZ2 3.54Å; L310-W457 HydrophobicContact CD1-CH2 4.42Å; L310-W457 HydrophobicContact CD1-CZ2 4.31Å
311G97.3Very high97.5Very high22 Ų2228.6 Ų28.623%0.22715%0.153CC..Hα-helixtrans-65.6-26.2172.600000113.5I307 M308I307-G311 PolarHBondContact O-N 2.89Å; M308-G311 PolarHBondContact O-N 3.48Å
312L97.5Very high97.3Very high64 Ų6433.5 Ų33.534%0.33518%0.176SC..Hα-helixtrans-88.3-13.2173.3-65.7174.6000113.4M308 F309 L310 L459 P463M308-L312 HydrophobicContact CG-CD1 4.21Å; M308-L312 WeakPolarHBondContact O-CG 3.31Å; M308-L312 PolarHBondContact O-N 2.91Å; F309-L312 PolarHBondContact O-N 3.38Å; L310-L312 PolarHBondContact O-N 2.95Å; L312-L459 HydrophobicContact CD1-CD1 4.46Å; L312-L459 HydrophobicContact CD2-CD1 3.82Å; L312-L459 HydrophobicContact CG-CD1 3.76Å; L312-P463 HydrophobicContact CD1-CB 3.99Å; L312-P463 HydrophobicContact CD1-CG 4.17Å; L312-P463 HydrophobicContact CD2-CB 4.33Å; L312-P463 HydrophobicContact CD2-CG 3.74Å
313N97.5Very high97.1Very high54 Ų5434.3 Ų34.329%0.28918%0.18SC..  trans-13472.7-175-63-85.8000111.4F309 L310 E315 A316 F406F309-N313 WeakPolarHBondContact O-CB 3.44Å; F309-N313 PolarHBondContact O-N 3Å; F309-N313 PolarHBondContact O-ND2 3.07Å; L310-N313 CarbonylContact O-C 3.59Å; L310-N313 VanDerWaalsContact O-C 3.28Å; L310-N313 PolarHBondContact O-N 3.49Å; L310-N313 VanDerWaalsContact O-N 3.13Å; N313-E315 PolarHBondContact O-N 2.84Å; N313-E315 VanDerWaalsContact O-N 3.12Å; N313-A316 HydrophobicContact CB-CB 4.35Å; N313-A316 WeakPolarHBondContact O-CB 3.5Å; N313-A316 PolarHBondContact O-N 3.17Å; N313-F406 HydrophobicContact CB-CD1 4.27Å
314P95.7Very high96.7Very high82 Ų8234.4 Ų34.453%0.53218%0.18SC..Hα-helixtrans-58-28.3-177.1-25.635.1000114.5A316 V317 N318P314-A316 VanDerWaalsContact C-N 3.28Å; P314-A316 PolarHBondContact O-N 3.38Å; P314-V317 WeakPolarHBondContact O-CB 3.26Å; P314-V317 PolarHBondContact O-N 3.32Å; P314-V317 VanDerWaalsContact O-N 3.12Å; P314-N318 PolarHBondContact O-N 3.46Å
315E96.9Very high96.1Very high127 Ų12741 Ų4159%0.59321%0.205SC*.Hα-helixtrans-60.4-38175.6-163.8-162.5147.700112.1N313 V317 N318 K319N313-E315 PolarHBondContact O-N 2.84Å; N313-E315 VanDerWaalsContact O-N 3.12Å; E315-V317 VanDerWaalsContact C-N 3.33Å; E315-V317 PolarHBondContact O-N 2.95Å; E315-N318 PolarHBondContact O-N 3.5Å; E315-K319 WeakPolarHBondContact O-CG 3.27Å; E315-K319 PolarHBondContact O-N 3.18Å; E315-K319 WeakPolarHBondContact OE1-CE 3.35Å; E315-K319 IonicContact OE1-NZ 3.68Å; E315-K319 PolarHBondContact OE1-NZ 3.42Å
316A97.8Very high95.6Very high6 Ų646 Ų465%0.0523%0.232CC..Hα-helixtrans-67-35.817600000111.4L310 N313 P314 K319 L320 F406L310-A316 HydrophobicContact CD2-CB 3.82Å; N313-A316 HydrophobicContact CB-CB 4.35Å; N313-A316 WeakPolarHBondContact O-CB 3.5Å; N313-A316 PolarHBondContact O-N 3.17Å; P314-A316 VanDerWaalsContact C-N 3.28Å; P314-A316 PolarHBondContact O-N 3.38Å; A316-K319 PolarHBondContact O-N 2.89Å; A316-L320 VanDerWaalsContact O-CG 3.31Å; A316-L320 WeakPolarHBondContact O-CG 3.11Å; A316-L320 PolarHBondContact O-N 3.15Å; A316-F406 HydrophobicContact CB-CE1 4.46Å
317V97.1Very high94.9Very high11 Ų1151.2 Ų51.27%0.06725%0.254CS..Hα-helixtrans-62.5-44.3173.3-179.70000110.5L310 P314 E315 K319 L320 R321 V452 W457L310-V317 HydrophobicContact CB-CG2 3.83Å; L310-V317 HydrophobicContact CD2-CG2 4.12Å; L310-V317 HydrophobicContact CG-CG2 4.44Å; P314-V317 WeakPolarHBondContact O-CB 3.26Å; P314-V317 PolarHBondContact O-N 3.32Å; P314-V317 VanDerWaalsContact O-N 3.12Å; E315-V317 VanDerWaalsContact C-N 3.33Å; E315-V317 PolarHBondContact O-N 2.95Å; V317-K319 PolarHBondContact O-N 2.9Å; V317-L320 WeakPolarHBondContact O-CB 3.42Å; V317-L320 PolarHBondContact O-N 2.88Å; V317-R321 WeakPolarHBondContact O-CG 3.37Å; V317-R321 PolarHBondContact O-N 2.91Å; V317-V452 HydrophobicContact CG1-CG1 4.22Å; V317-W457 HydrophobicContact CG2-CH2 4.05Å; V317-W457 HydrophobicContact CG2-CZ2 4.3Å
318N95.6Very high93.7Very high95 Ų9553.5 Ų53.551%0.50828%0.278SS..Hα-helixtrans-62-42.1177.1-69.1-24.5000112.1P314 E315 R321 Q322P314-N318 PolarHBondContact O-N 3.46Å; E315-N318 PolarHBondContact O-N 3.5Å; N318-R321 PolarHBondContact O-N 2.94Å; N318-Q322 WeakPolarHBondContact O-CB 3.17Å; N318-Q322 PolarHBondContact O-N 3.03Å
319K96.8Very high92.2Very high72 Ų7254 Ų5431%0.31328%0.28SS..Hα-helixtrans-64.6-37.4175.2-72.8172179.5168.60112.7E315 A316 V317 Q322 E323 Y347 E409E315-K319 WeakPolarHBondContact O-CG 3.27Å; E315-K319 PolarHBondContact O-N 3.18Å; E315-K319 WeakPolarHBondContact OE1-CE 3.35Å; E315-K319 IonicContact OE1-NZ 3.68Å; E315-K319 PolarHBondContact OE1-NZ 3.42Å; A316-K319 PolarHBondContact O-N 2.89Å; V317-K319 PolarHBondContact O-N 2.9Å; K319-Q322 PolarHBondContact O-N 3.42Å; K319-E323 PolarHBondContact O-N 3.49Å; K319-Y347 HydrophobicContact CB-CD1 3.82Å; K319-Y347 HydrophobicContact CB-CE1 3.32Å; K319-Y347 HydrophobicContact CB-CE2 4.41Å; K319-Y347 HydrophobicContact CD-CE1 4.22Å; K319-Y347 HydrophobicContact CD-CE2 4.1Å; K319-Y347 VanDerWaalsContact CD-OH 3.28Å; K319-Y347 WeakPolarHBondContact CD-OH 3.47Å; K319-Y347 HydrophobicContact CG-CE1 4.41Å; K319-E409 WeakPolarHBondContact CD-OE1 3.19Å; K319-E409 IonicContact NZ-OE1 2.78Å; K319-E409 PolarHBondContact NZ-OE1 3.38Å
320L95.8Very high90.3Very high2 Ų254.9 Ų54.91%0.0129%0.289CS..Hα-helixtrans-63.2-46.4172.4-72.3166.9000111.4L310 A316 V317 Q322 E323 L324 Y347 T348 V351 V452L310-L320 HydrophobicContact CD1-CD1 3.89Å; L310-L320 HydrophobicContact CD2-CD1 3.75Å; A316-L320 VanDerWaalsContact O-CG 3.31Å; A316-L320 WeakPolarHBondContact O-CG 3.11Å; A316-L320 PolarHBondContact O-N 3.15Å; V317-L320 WeakPolarHBondContact O-CB 3.42Å; V317-L320 PolarHBondContact O-N 2.88Å; L320-Q322 VanDerWaalsContact C-N 3.32Å; L320-Q322 PolarHBondContact O-N 3.31Å; L320-E323 PolarHBondContact O-N 3.24Å; L320-L324 VanDerWaalsContact O-CG 3.31Å; L320-L324 WeakPolarHBondContact O-CG 3.4Å; L320-L324 PolarHBondContact O-N 2.8Å; L320-Y347 HydrophobicContact CD2-CD1 3.78Å; L320-Y347 HydrophobicContact CD2-CE1 4.33Å; L320-Y347 HydrophobicContact CG-CD1 3.93Å; L320-Y347 HydrophobicContact CG-CE1 4.07Å; L320-T348 VanDerWaalsContact CD2-CA 3.49Å; L320-T348 HydrophobicContact CD2-CG2 4.29Å; L320-T348 WeakPolarHBondContact CD2-OG1 3.42Å; L320-V351 HydrophobicContact CD1-CG1 4.36Å; L320-V351 HydrophobicContact CD1-CG2 4.18Å; L320-V351 HydrophobicContact CD2-CB 4.49Å; L320-V351 HydrophobicContact CD2-CG2 3.98Å; L320-V351 HydrophobicContact CG-CG2 4.21Å; L320-V452 HydrophobicContact CB-CG1 3.92Å; L320-V452 HydrophobicContact CB-CG2 4.45Å; L320-V452 HydrophobicContact CD1-CG2 3.97Å
321R94.3Very high88.2Confident27 Ų2758.3 Ų58.310%0.10232%0.324CS..Hα-helixtrans-60.4-42.1175.8-69.9176.8174.8159.1-1.2111.6V317 N318 L324 W325 S330 V452 C455 D456 Y485V317-R321 WeakPolarHBondContact O-CG 3.37Å; V317-R321 PolarHBondContact O-N 2.91Å; N318-R321 PolarHBondContact O-N 2.94Å; R321-L324 PolarHBondContact O-N 3.4Å; R321-W325 PolarHBondContact O-N 3.05Å; R321-S330 PolarHBondContact O-OG 2.98Å; R321-V452 HydrophobicContact CB-CG1 4.44Å; R321-V452 HydrophobicContact CG-CG1 3.34Å; R321-V452 PolarHBondContact NE-O 2.96Å; R321-V452 PolarHBondContact NH2-O 3.22Å; R321-C455 PolarHBondContact NH2-O 2.98Å; R321-D456 IonicContact CZ-OD1 2.72Å; R321-D456 VanDerWaalsContact CZ-OD1 3.27Å; R321-D456 IonicContact NH1-OD1 2.66Å; R321-D456 PolarHBondContact NH1-OD1 3.18Å; R321-D456 IonicContact NH2-OD1 3.75Å; R321-D456 PolarHBondContact NH2-OD1 3.44Å; R321-Y485 VanDerWaalsContact CZ-CE2 3.49Å; R321-Y485 VanDerWaalsContact NH1-CD2 3.34Å
322Q93.8Very high86Confident104 Ų10460.5 Ų60.549%0.48633%0.329SS..Hα-helixtrans-62.9-45.5175.8-172.263.946.100111.9N318 K319 L320 L324 W325 D326N318-Q322 WeakPolarHBondContact O-CB 3.17Å; N318-Q322 PolarHBondContact O-N 3.03Å; K319-Q322 PolarHBondContact O-N 3.42Å; L320-Q322 VanDerWaalsContact C-N 3.32Å; L320-Q322 PolarHBondContact O-N 3.31Å; Q322-L324 VanDerWaalsContact C-N 3.3Å; Q322-L324 PolarHBondContact O-N 3.29Å; Q322-W325 WeakPolarHBondContact O-CA 3.42Å; Q322-W325 WeakPolarHBondContact O-CB 3.27Å; Q322-W325 PolarHBondContact O-N 2.89Å; Q322-D326 PolarHBondContact NE2-OD1 3.08Å; Q322-D326 VanDerWaalsContact O-CG 3.28Å; Q322-D326 PolarHBondContact O-N 2.82Å
323E94Very high84.2Confident22 Ų2262.9 Ų62.910%0.10334%0.342CS..Hα-helixtrans-56.7-45.7175.2169.6170.6-107.800111.4K319 L320 W325 D326 K327 L345 K346 Y347 T348K319-E323 PolarHBondContact O-N 3.49Å; L320-E323 PolarHBondContact O-N 3.24Å; E323-W325 VanDerWaalsContact C-N 3.27Å; E323-W325 PolarHBondContact O-N 2.89Å; E323-D326 PolarHBondContact O-N 2.89Å; E323-K327 VanDerWaalsContact O-CG 3.31Å; E323-K327 WeakPolarHBondContact O-CG 3.38Å; E323-K327 PolarHBondContact O-N 3.45Å; E323-L345 HydrophobicContact CG-CD2 4.11Å; E323-K346 WeakPolarHBondContact OE1-CA 3.37Å; E323-K346 PolarHBondContact OE1-N 3.35Å; E323-Y347 PolarHBondContact OE1-N 3.05Å; E323-Y347 PolarHBondContact OE2-N 3.19Å; E323-T348 WeakPolarHBondContact OE2-CB 3.31Å; E323-T348 PolarHBondContact OE2-N 3.21Å; E323-T348 PolarHBondContact OE2-OG1 3.3Å
324L90.7Very high82.5Confident2 Ų261.2 Ų61.21%0.0133%0.333CS..Hα-helixtrans-64.5-34.9177.5-65169.4000111.5L320 R321 Q322 G328 E329 S330 L345 V449 V452 T453L320-L324 VanDerWaalsContact O-CG 3.31Å; L320-L324 WeakPolarHBondContact O-CG 3.4Å; L320-L324 PolarHBondContact O-N 2.8Å; R321-L324 PolarHBondContact O-N 3.4Å; Q322-L324 VanDerWaalsContact C-N 3.3Å; Q322-L324 PolarHBondContact O-N 3.29Å; L324-G328 PolarHBondContact O-N 3.35Å; L324-E329 HydrophobicContact CB-CB 4.26Å; L324-E329 HydrophobicContact CD2-CB 3.92Å; L324-E329 CarbonylContact O-C 3.59Å; L324-E329 WeakPolarHBondContact O-CA 3.36Å; L324-E329 WeakPolarHBondContact O-CB 3.49Å; L324-E329 PolarHBondContact O-N 3.5Å; L324-S330 VanDerWaalsContact C-OG 3.26Å; L324-S330 PolarHBondContact O-N 2.98Å; L324-L345 HydrophobicContact CD2-CD1 4.02Å; L324-L345 HydrophobicContact CD2-CD2 3.67Å; L324-V449 HydrophobicContact CD1-CG1 4.43Å; L324-V449 HydrophobicContact CD2-CG1 4.2Å; L324-V449 HydrophobicContact CD2-CG2 3.96Å; L324-V452 HydrophobicContact CD1-CG1 4.43Å; L324-T453 HydrophobicContact CD1-CG2 3.67Å
325W86.8Confident80.7Confident141 Ų14164.8 Ų64.853%0.53434%0.343SS..Hα-helixtrans-62.8-52.7174.8-176.5-76.4000111.9R321 Q322 E323 K327 G328 S330 K487R321-W325 PolarHBondContact O-N 3.05Å; Q322-W325 WeakPolarHBondContact O-CA 3.42Å; Q322-W325 WeakPolarHBondContact O-CB 3.27Å; Q322-W325 PolarHBondContact O-N 2.89Å; E323-W325 VanDerWaalsContact C-N 3.27Å; E323-W325 PolarHBondContact O-N 2.89Å; W325-K327 PolarHBondContact O-N 3.29Å; W325-K327 VanDerWaalsContact O-N 3.12Å; W325-G328 PolarHBondContact O-N 3.37Å; W325-S330 WeakPolarHBondContact CA-OG 3.31Å; W325-S330 WeakPolarHBondContact CB-OG 2.81Å; W325-S330 PolarHBondContact N-OG 2.99Å; W325-K487 HydrophobicContact CZ3-CD 4.43Å
326D87.8Confident79.3Confident105 Ų10561.3 Ų61.356%0.56133%0.332SS*.Hα-helixtrans-63-23.4-176.1-63.9-17000112.5Q322 E323Q322-D326 PolarHBondContact NE2-OD1 3.08Å; Q322-D326 VanDerWaalsContact O-CG 3.28Å; Q322-D326 PolarHBondContact O-N 2.82Å; E323-D326 PolarHBondContact O-N 2.89Å
327K83.5Confident78.7Confident108 Ų10861.5 Ų61.547%0.4733%0.333SS..THydrogen-bonded Turntrans-91.80.4176.7-60.6-58.3175.1-161.90114.2E323 W325 E329 L345E323-K327 VanDerWaalsContact O-CG 3.31Å; E323-K327 WeakPolarHBondContact O-CG 3.38Å; E323-K327 PolarHBondContact O-N 3.45Å; W325-K327 PolarHBondContact O-N 3.29Å; W325-K327 VanDerWaalsContact O-N 3.12Å; K327-E329 HydrophobicContact CB-CG 3.81Å; K327-E329 PolarHBondContact O-N 2.81Å; K327-L345 HydrophobicContact CG-CD2 4.44Å
328G73.1Confident78.2Confident48 Ų4863.5 Ų63.550%0.49534%0.343SS..THydrogen-bonded Turntrans73.89.1-175.900000113.7L324 W325L324-G328 PolarHBondContact O-N 3.35Å; W325-G328 PolarHBondContact O-N 3.37Å
329E67.5Low78Confident20 Ų2059.4 Ų59.49%0.09332%0.321CS..G310 helixtrans-86.5-10.5-178.2-57-72.5163.200111.7L324 K327 G331 M332 L337 S341L324-E329 HydrophobicContact CB-CB 4.26Å; L324-E329 HydrophobicContact CD2-CB 3.92Å; L324-E329 CarbonylContact O-C 3.59Å; L324-E329 WeakPolarHBondContact O-CA 3.36Å; L324-E329 WeakPolarHBondContact O-CB 3.49Å; L324-E329 PolarHBondContact O-N 3.5Å; K327-E329 HydrophobicContact CB-CG 3.81Å; K327-E329 PolarHBondContact O-N 2.81Å; E329-G331 VanDerWaalsContact C-N 3.29Å; E329-G331 PolarHBondContact O-N 3.44Å; E329-M332 HydrophobicContact CB-CE 4.41Å; E329-M332 HydrophobicContact CG-CE 4.18Å; E329-M332 WeakPolarHBondContact OE1-CE 3.41Å; E329-M332 WeakPolarHBondContact OE2-CE 3.25Å; E329-L337 VanDerWaalsContact OE2-CD2 3.26Å; E329-L337 WeakPolarHBondContact OE2-CD2 3.35Å; E329-S341 WeakPolarHBondContact OE1-CB 3.35Å; E329-S341 PolarHBondContact OE1-OG 3Å; E329-S341 VanDerWaalsContact OE1-OG 3.09Å
330S58.1Low77.8Confident40 Ų4061.4 Ų61.428%0.2833%0.331SS..G310 helixtrans-71.7-14.4178.9-85.10000115.7R321 L324 W325R321-S330 PolarHBondContact O-OG 2.98Å; L324-S330 VanDerWaalsContact C-OG 3.26Å; L324-S330 PolarHBondContact O-N 2.98Å; W325-S330 WeakPolarHBondContact CA-OG 3.31Å; W325-S330 WeakPolarHBondContact CB-OG 2.81Å; W325-S330 PolarHBondContact N-OG 2.99Å
331G55.3Low77.5Confident72 Ų7262 Ų6274%0.74234%0.336SS*.G310 helixtrans-116.60.7-175.500000114.3E329E329-G331 VanDerWaalsContact C-N 3.29Å; E329-G331 PolarHBondContact O-N 3.44Å
332M50.6Low77.4Confident69 Ų6960.9 Ų60.934%0.3433%0.332SS..SBendtrans-89.4145.4-167.5-76.4-159.7-76.700113.7E329 L334 S336E329-M332 HydrophobicContact CB-CE 4.41Å; E329-M332 HydrophobicContact CG-CE 4.18Å; E329-M332 WeakPolarHBondContact OE1-CE 3.41Å; E329-M332 WeakPolarHBondContact OE2-CE 3.25Å; M332-L334 PolarHBondContact O-N 2.66Å; M332-L334 VanDerWaalsContact O-N 3.14Å; M332-S336 PolarHBondContact SD-OG 3.5Å
333D59.1Low77.3Confident114 Ų11460.9 Ų60.961%0.6133%0.332SS*.  trans-50.3110.7146.8-177.78.2000107.4Q335 S336D333-Q335 PolarHBondContact O-N 3.34Å; D333-Q335 WeakPolarHBondContact OD1-CB 3.49Å; D333-Q335 VanDerWaalsContact OD1-CG 3.3Å; D333-Q335 WeakPolarHBondContact OD1-CG 3.45Å; D333-Q335 PolarHBondContact OD1-N 2.85Å; D333-S336 PolarHBondContact O-N 2.79Å; D333-S336 PolarHBondContact O-OG 3.21Å
334L62Low77.2Confident18 Ų1865.2 Ų65.29%0.09435%0.35CS..G310 helixtrans-54.5-19.9-176.5-75.5139.2000111.2Q157 M332 S336 L337 V449 E450Q157-L334 PolarHBondContact NE2-O 3.36Å; M332-L334 PolarHBondContact O-N 2.66Å; M332-L334 VanDerWaalsContact O-N 3.14Å; L334-S336 PolarHBondContact O-N 2.71Å; L334-L337 HydrophobicContact CD2-CD1 4.31Å; L334-L337 PolarHBondContact O-N 3.22Å; L334-V449 HydrophobicContact CD2-CG1 3.52Å; L334-E450 VanDerWaalsContact CD1-CD 3.43Å; L334-E450 WeakPolarHBondContact CD1-OE2 3.3Å
335Q58.7Low77.3Confident158 Ų15865.2 Ų65.274%0.73835%0.35SS*.G310 helixtrans-58.9-5.2176.4-62-156.811.100116.6D333D333-Q335 PolarHBondContact O-N 3.34Å; D333-Q335 WeakPolarHBondContact OD1-CB 3.49Å; D333-Q335 VanDerWaalsContact OD1-CG 3.3Å; D333-Q335 WeakPolarHBondContact OD1-CG 3.45Å; D333-Q335 PolarHBondContact OD1-N 2.85Å
336S68Low77.7Confident53 Ų5365.7 Ų65.737%0.37136%0.356SS..G310 helixtrans-96.3-3.6175.767.10000115.7M332 D333 L334 N338M332-S336 PolarHBondContact SD-OG 3.5Å; D333-S336 PolarHBondContact O-N 2.79Å; D333-S336 PolarHBondContact O-OG 3.21Å; L334-S336 PolarHBondContact O-N 2.71Å; S336-N338 PolarHBondContact O-N 3.13Å
337L83.4Confident78.2Confident11 Ų1161.5 Ų61.56%0.05833%0.332CS..  trans-60.5136.5179.1-57.7171.9000110.6I153 Q157 E329 L334 L342 I446 V449I153-L337 HydrophobicContact CG2-CB 4.48Å; I153-L337 WeakPolarHBondContact CG2-O 3.19Å; Q157-L337 VanDerWaalsContact NE2-CB 3.27Å; E329-L337 VanDerWaalsContact OE2-CD2 3.26Å; E329-L337 WeakPolarHBondContact OE2-CD2 3.35Å; L334-L337 HydrophobicContact CD2-CD1 4.31Å; L334-L337 PolarHBondContact O-N 3.22Å; L337-L342 HydrophobicContact CD1-CD2 4.28Å; L337-I446 HydrophobicContact CD1-CG1 4.37Å; L337-V449 HydrophobicContact CD1-CB 4.49Å; L337-V449 HydrophobicContact CD1-CG1 4.13Å
338N88.3Confident78.8Confident52 Ų5256.5 Ų56.528%0.27831%0.311SS..  trans-132.7173172.858.154.2000109.3E150 S336 E340 S341 L342E150-N338 VanDerWaalsContact OE1-CA 3.31Å; E150-N338 WeakPolarHBondContact OE1-CA 3.45Å; E150-N338 WeakPolarHBondContact OE1-CB 3.36Å; S336-N338 PolarHBondContact O-N 3.13Å; N338-E340 PolarHBondContact O-N 3.4Å; N338-E340 WeakPolarHBondContact OD1-CA 3.3Å; N338-E340 WeakPolarHBondContact OD1-CB 3.39Å; N338-E340 PolarHBondContact OD1-N 2.81Å; N338-S341 PolarHBondContact O-N 3.01Å; N338-S341 PolarHBondContact OD1-N 3.34Å; N338-L342 WeakPolarHBondContact O-CG 3.49Å; N338-L342 PolarHBondContact O-N 3.39Å; N338-L342 VanDerWaalsContact O-N 3.09Å
339I91.5Very high79.9Confident9 Ų955.8 Ų55.85%0.04630%0.298CS..Hα-helixtrans-57.2-38.5-179.8-74.9173.2000111.8R146 L149 E150 I153 L342 E343R146-I339 HydrophobicContact CG-CD1 3.68Å; R146-I339 HydrophobicContact CG-CG2 4.39Å; R146-I339 WeakPolarHBondContact O-CD1 3.28Å; L149-I339 HydrophobicContact CB-CD1 3.81Å; E150-I339 HydrophobicContact CB-CD1 4.12Å; E150-I339 PolarHBondContact OE1-N 2.92Å; E150-I339 WeakPolarHBondContact OE2-CB 3.35Å; E150-I339 WeakPolarHBondContact OE2-CD1 3.43Å; E150-I339 WeakPolarHBondContact OE2-CG1 3.26Å; E150-I339 PolarHBondContact OE2-N 3.03Å; E150-I339 VanDerWaalsContact OE2-N 3.15Å; I153-I339 HydrophobicContact CD1-CG1 3.71Å; I339-L342 PolarHBondContact O-N 3.45Å; I339-E343 HydrophobicContact CG2-CG 4.05Å; I339-E343 WeakPolarHBondContact O-CB 3.29Å; I339-E343 VanDerWaalsContact O-CG 3.28Å; I339-E343 WeakPolarHBondContact O-CG 3.43Å; I339-E343 PolarHBondContact O-N 3.08Å
340E90.8Very high81.3Confident115 Ų11555 Ų5554%0.53730%0.295SS..Hα-helixtrans-66.8-41-177.2-59.7-178.2179.700112.5N338 E343 K344N338-E340 PolarHBondContact O-N 3.4Å; N338-E340 WeakPolarHBondContact OD1-CA 3.3Å; N338-E340 WeakPolarHBondContact OD1-CB 3.39Å; N338-E340 PolarHBondContact OD1-N 2.81Å; E340-E343 PolarHBondContact O-N 3.3Å; E340-K344 WeakPolarHBondContact O-CG 3.23Å; E340-K344 PolarHBondContact O-N 2.79Å
341S89.8Confident83.3Confident15 Ų1553.1 Ų53.111%0.10528%0.282CS..Hα-helixtrans-61.4-47.1172.6-730000110.4E329 N338 E343 K344E329-S341 WeakPolarHBondContact OE1-CB 3.35Å; E329-S341 PolarHBondContact OE1-OG 3Å; E329-S341 VanDerWaalsContact OE1-OG 3.09Å; N338-S341 PolarHBondContact O-N 3.01Å; N338-S341 PolarHBondContact OD1-N 3.34Å; S341-E343 VanDerWaalsContact C-N 3.32Å; S341-E343 PolarHBondContact O-N 2.88Å; S341-K344 WeakPolarHBondContact O-CB 3.4Å; S341-K344 PolarHBondContact O-N 3.48Å; S341-K344 VanDerWaalsContact O-N 3.13Å
342L92.4Very high85.3Confident3 Ų350 Ų502%0.01625%0.248CC..Hα-helixtrans-62-37.6178.3-65.4175.1000112.4I153 L337 N338 I339 K344 L345 V442 K445 I446I153-L342 HydrophobicContact CD1-CD1 3.89Å; I153-L342 HydrophobicContact CG1-CD1 4.46Å; L337-L342 HydrophobicContact CD1-CD2 4.28Å; N338-L342 WeakPolarHBondContact O-CG 3.49Å; N338-L342 PolarHBondContact O-N 3.39Å; N338-L342 VanDerWaalsContact O-N 3.09Å; I339-L342 PolarHBondContact O-N 3.45Å; L342-K344 VanDerWaalsContact C-N 3.26Å; L342-K344 PolarHBondContact O-N 3.5Å; L342-L345 HydrophobicContact CD2-CD1 4.28Å; L342-L345 PolarHBondContact O-N 3.17Å; L342-V442 HydrophobicContact CD1-CG1 3.88Å; L342-K445 HydrophobicContact CB-CD 4.17Å; L342-K445 HydrophobicContact CD2-CB 3.95Å; L342-K445 PolarHBondContact O-NZ 3.45Å; L342-I446 HydrophobicContact CD1-CD1 4.17Å; L342-I446 HydrophobicContact CD1-CG1 3.94Å; L342-I446 HydrophobicContact CD2-CG1 4.11Å
343E91.6Very high87.5Confident104 Ų10449.9 Ų49.949%0.48625%0.246SC..Hα-helixtrans-62.4-30.7176.7-78.3175.4157.400112.6R146 I339 E340 S341 L345R146-E343 IonicContact CZ-OE1 3.5Å; R146-E343 IonicContact CZ-OE2 3.56Å; R146-E343 IonicContact NH1-OE1 2.88Å; R146-E343 PolarHBondContact NH1-OE1 2.84Å; R146-E343 IonicContact NH1-OE2 3.77Å; R146-E343 PolarHBondContact NH1-OE2 3.21Å; R146-E343 IonicContact NH2-OE1 3.19Å; R146-E343 IonicContact NH2-OE2 2.73Å; R146-E343 PolarHBondContact NH2-OE2 3.48Å; I339-E343 HydrophobicContact CG2-CG 4.05Å; I339-E343 WeakPolarHBondContact O-CB 3.29Å; I339-E343 VanDerWaalsContact O-CG 3.28Å; I339-E343 WeakPolarHBondContact O-CG 3.43Å; I339-E343 PolarHBondContact O-N 3.08Å; E340-E343 PolarHBondContact O-N 3.3Å; S341-E343 VanDerWaalsContact C-N 3.32Å; S341-E343 PolarHBondContact O-N 2.88Å; E343-L345 VanDerWaalsContact C-N 3.32Å; E343-L345 PolarHBondContact O-N 2.92Å
344K92Very high89.3Confident113 Ų11344.4 Ų44.449%0.49122%0.217SC..Hα-helixtrans-75.6-16179.2-67.8165.3-171.4167.20114.1E340 S341 L342 K346E340-K344 WeakPolarHBondContact O-CG 3.23Å; E340-K344 PolarHBondContact O-N 2.79Å; S341-K344 WeakPolarHBondContact O-CB 3.4Å; S341-K344 PolarHBondContact O-N 3.48Å; S341-K344 VanDerWaalsContact O-N 3.13Å; L342-K344 VanDerWaalsContact C-N 3.26Å; L342-K344 PolarHBondContact O-N 3.5Å; K344-K346 PolarHBondContact O-N 3.04Å; K344-K346 VanDerWaalsContact O-N 3.09Å
345L94.1Very high91Very high1 Ų143.6 Ų43.61%0.00521%0.212CC..  trans-80.281.7179.2-55.3179.9000111.4E323 L324 K327 L342 E343 S349 K445 V449E323-L345 HydrophobicContact CG-CD2 4.11Å; L324-L345 HydrophobicContact CD2-CD1 4.02Å; L324-L345 HydrophobicContact CD2-CD2 3.67Å; K327-L345 HydrophobicContact CG-CD2 4.44Å; L342-L345 HydrophobicContact CD2-CD1 4.28Å; L342-L345 PolarHBondContact O-N 3.17Å; E343-L345 VanDerWaalsContact C-N 3.32Å; E343-L345 PolarHBondContact O-N 2.92Å; L345-S349 PolarHBondContact O-N 3.4Å; L345-S349 VanDerWaalsContact O-N 3.14Å; L345-K445 PolarHBondContact O-NZ 3.4Å; L345-V449 HydrophobicContact CD1-CG2 3.6Å
346K94.4Very high92.9Very high152 Ų15236.3 Ų36.366%0.66118%0.178SC*.Hα-helixtrans-73.5-48.3-174.3-67.3-173.4179.6-1750112.5E323 K344 S349 C350E323-K346 WeakPolarHBondContact OE1-CA 3.37Å; E323-K346 PolarHBondContact OE1-N 3.35Å; K344-K346 PolarHBondContact O-N 3.04Å; K344-K346 VanDerWaalsContact O-N 3.09Å; K346-S349 WeakPolarHBondContact O-CA 3.45Å; K346-S349 VanDerWaalsContact O-CB 3.24Å; K346-S349 WeakPolarHBondContact O-CB 3.43Å; K346-S349 PolarHBondContact O-N 2.9Å; K346-C350 PolarHBondContact O-N 2.66Å; K346-C350 PolarHBondContact O-SG 3.29Å
347Y97Very high94.2Very high17 Ų1734.2 Ų34.27%0.06716%0.162CC..Hα-helixtrans-66.5-40178.7-169.4-104.7000111K319 L320 E323 S349 C350 V351 P408 E409 L412K319-Y347 HydrophobicContact CB-CD1 3.82Å; K319-Y347 HydrophobicContact CB-CE1 3.32Å; K319-Y347 HydrophobicContact CB-CE2 4.41Å; K319-Y347 HydrophobicContact CD-CE1 4.22Å; K319-Y347 HydrophobicContact CD-CE2 4.1Å; K319-Y347 VanDerWaalsContact CD-OH 3.28Å; K319-Y347 WeakPolarHBondContact CD-OH 3.47Å; K319-Y347 HydrophobicContact CG-CE1 4.41Å; L320-Y347 HydrophobicContact CD2-CD1 3.78Å; L320-Y347 HydrophobicContact CD2-CE1 4.33Å; L320-Y347 HydrophobicContact CG-CD1 3.93Å; L320-Y347 HydrophobicContact CG-CE1 4.07Å; E323-Y347 PolarHBondContact OE1-N 3.05Å; E323-Y347 PolarHBondContact OE2-N 3.19Å; Y347-S349 VanDerWaalsContact C-N 3.29Å; Y347-S349 PolarHBondContact O-N 3.22Å; Y347-C350 CarbonylContact O-C 3.48Å; Y347-C350 WeakPolarHBondContact O-CA 3.23Å; Y347-C350 VanDerWaalsContact O-CB 3.26Å; Y347-C350 WeakPolarHBondContact O-CB 3.31Å; Y347-C350 PolarHBondContact O-N 3.16Å; Y347-V351 HydrophobicContact CD1-CG2 4.09Å; Y347-V351 HydrophobicContact CE1-CG2 3.75Å; Y347-V351 WeakPolarHBondContact O-CG2 3.25Å; Y347-V351 PolarHBondContact O-N 3.27Å; Y347-P408 HydrophobicContact CE2-CB 3.93Å; Y347-E409 HydrophobicContact CE2-CG 4.17Å; Y347-E409 WeakPolarHBondContact CE2-OE1 3.17Å; Y347-E409 PolarHBondContact OH-OE1 3.2Å; Y347-L412 HydrophobicContact CD2-CD1 4.3Å; Y347-L412 HydrophobicContact CD2-CD2 4.31Å
348T97.3Very high94.7Very high2 Ų235.4 Ų35.41%0.01217%0.168CC..Hα-helixtrans-55.3-44.8170-54.30000111.5L320 E323 C350 V351 I352 K445 L448L320-T348 VanDerWaalsContact CD2-CA 3.49Å; L320-T348 HydrophobicContact CD2-CG2 4.29Å; L320-T348 WeakPolarHBondContact CD2-OG1 3.42Å; E323-T348 WeakPolarHBondContact OE2-CB 3.31Å; E323-T348 PolarHBondContact OE2-N 3.21Å; E323-T348 PolarHBondContact OE2-OG1 3.3Å; T348-C350 VanDerWaalsContact C-N 3.3Å; T348-C350 PolarHBondContact O-N 3.06Å; T348-V351 PolarHBondContact O-N 2.87Å; T348-I352 HydrophobicContact CG2-CD1 4.46Å; T348-I352 WeakPolarHBondContact O-CG1 3.21Å; T348-I352 PolarHBondContact O-N 2.8Å; T348-I352 VanDerWaalsContact O-N 3.14Å; T348-K445 HydrophobicContact CG2-CB 4.5Å; T348-K445 HydrophobicContact CG2-CG 4.06Å; T348-L448 HydrophobicContact CG2-CB 4.23Å; T348-L448 HydrophobicContact CG2-CD1 3.89Å
349S96.9Very high95.1Very high34 Ų3433.2 Ų33.224%0.23816%0.157CC..Hα-helixtrans-60.1-37.8171.9-97.30000113.3L345 K346 Y347 K353 K445L345-S349 PolarHBondContact O-N 3.4Å; L345-S349 VanDerWaalsContact O-N 3.14Å; K346-S349 WeakPolarHBondContact O-CA 3.45Å; K346-S349 VanDerWaalsContact O-CB 3.24Å; K346-S349 WeakPolarHBondContact O-CB 3.43Å; K346-S349 PolarHBondContact O-N 2.9Å; Y347-S349 VanDerWaalsContact C-N 3.29Å; Y347-S349 PolarHBondContact O-N 3.22Å; S349-K353 WeakPolarHBondContact O-CB 3.48Å; S349-K353 VanDerWaalsContact O-CG 3.28Å; S349-K353 WeakPolarHBondContact O-CG 3.28Å; S349-K353 PolarHBondContact O-N 3.03Å; S349-K445 WeakPolarHBondContact OG-CE 3.47Å; S349-K445 PolarHBondContact OG-NZ 3.17Å
350C97Very high95.3Very high4 Ų432.9 Ų32.93%0.02716%0.155CC..Hα-helixtrans-67.1-42.6177.9-64.70000112.1K346 Y347 T348 I352 K353 E354 P408 F411K346-C350 PolarHBondContact O-N 2.66Å; K346-C350 PolarHBondContact O-SG 3.29Å; Y347-C350 CarbonylContact O-C 3.48Å; Y347-C350 WeakPolarHBondContact O-CA 3.23Å; Y347-C350 VanDerWaalsContact O-CB 3.26Å; Y347-C350 WeakPolarHBondContact O-CB 3.31Å; Y347-C350 PolarHBondContact O-N 3.16Å; T348-C350 VanDerWaalsContact C-N 3.3Å; T348-C350 PolarHBondContact O-N 3.06Å; C350-I352 PolarHBondContact O-N 3Å; C350-K353 PolarHBondContact O-N 2.92Å; C350-K353 VanDerWaalsContact O-N 3.16Å; C350-E354 PolarHBondContact O-N 3.3Å; C350-P408 HydrophobicContact CB-CB 4.08Å; C350-P408 WeakPolarHBondContact CB-O 3.48Å; C350-F411 HydrophobicContact CB-CB 3.96Å; C350-F411 PolarHBondContact SG-O 3.35Å
351V98.4Very high95.5Very high0 Ų027.8 Ų27.80%013%0.132CC..Hα-helixtrans-60.1-45176169.10000111.1L306 L310 L320 Y347 T348 E354 T355 F406 P408 L448L306-V351 HydrophobicContact CD2-CG1 3.78Å; L310-V351 HydrophobicContact CD1-CG1 4.36Å; L310-V351 HydrophobicContact CD2-CG1 3.97Å; L310-V351 HydrophobicContact CG-CG1 4.34Å; L320-V351 HydrophobicContact CD1-CG1 4.36Å; L320-V351 HydrophobicContact CD1-CG2 4.18Å; L320-V351 HydrophobicContact CD2-CB 4.49Å; L320-V351 HydrophobicContact CD2-CG2 3.98Å; L320-V351 HydrophobicContact CG-CG2 4.21Å; Y347-V351 HydrophobicContact CD1-CG2 4.09Å; Y347-V351 HydrophobicContact CE1-CG2 3.75Å; Y347-V351 WeakPolarHBondContact O-CG2 3.25Å; Y347-V351 PolarHBondContact O-N 3.27Å; T348-V351 PolarHBondContact O-N 2.87Å; V351-E354 PolarHBondContact O-N 3.47Å; V351-T355 WeakPolarHBondContact O-CB 3.21Å; V351-T355 PolarHBondContact O-N 2.77Å; V351-T355 PolarHBondContact O-OG1 3.43Å; V351-F406 HydrophobicContact CG1-CZ 4.11Å; V351-P408 HydrophobicContact CB-CG 4.46Å; V351-P408 HydrophobicContact CG2-CB 3.83Å; V351-P408 HydrophobicContact CG2-CG 3.69Å; V351-L448 HydrophobicContact CG1-CD1 4.24Å
352I98.3Very high95.6Very high6 Ų629.6 Ų29.63%0.03114%0.142CC..Hα-helixtrans-62.9-43.6175-65167.9000110.5L306 T348 C350 T355 L356 L444 K445 L448L306-I352 HydrophobicContact CD1-CG1 4.43Å; L306-I352 HydrophobicContact CD2-CG1 4.45Å; T348-I352 HydrophobicContact CG2-CD1 4.46Å; T348-I352 WeakPolarHBondContact O-CG1 3.21Å; T348-I352 PolarHBondContact O-N 2.8Å; T348-I352 VanDerWaalsContact O-N 3.14Å; C350-I352 PolarHBondContact O-N 3Å; I352-T355 PolarHBondContact O-N 2.97Å; I352-L356 HydrophobicContact CG2-CD1 3.94Å; I352-L356 HydrophobicContact CG2-CG 4.4Å; I352-L356 WeakPolarHBondContact O-CB 3.49Å; I352-L356 WeakPolarHBondContact O-CG 3.06Å; I352-L356 PolarHBondContact O-N 2.95Å; I352-L444 HydrophobicContact CD1-CB 3.89Å; I352-L444 HydrophobicContact CG1-CB 4.36Å; I352-L444 HydrophobicContact CG2-CD1 4.12Å; I352-K445 HydrophobicContact CD1-CB 4.42Å; I352-K445 HydrophobicContact CD1-CG 3.57Å; I352-L448 HydrophobicContact CD1-CD1 3.96Å; I352-L448 HydrophobicContact CG1-CD1 3.56Å
353K96.7Very high95.5Very high66 Ų6631.3 Ų31.329%0.28715%0.154SC..Hα-helixtrans-61.7-45.5179.1-76.6174.4-179.1179.10111.9S349 C350 T355 L356 R357 F411 Y424S349-K353 WeakPolarHBondContact O-CB 3.48Å; S349-K353 VanDerWaalsContact O-CG 3.28Å; S349-K353 WeakPolarHBondContact O-CG 3.28Å; S349-K353 PolarHBondContact O-N 3.03Å; C350-K353 PolarHBondContact O-N 2.92Å; C350-K353 VanDerWaalsContact O-N 3.16Å; K353-T355 VanDerWaalsContact C-N 3.34Å; K353-T355 PolarHBondContact O-N 2.75Å; K353-L356 PolarHBondContact O-N 3.02Å; K353-R357 PolarHBondContact O-N 2.64Å; K353-F411 HydrophobicContact CB-CB 4.5Å; K353-F411 HydrophobicContact CB-CD1 4.04Å; K353-F411 HydrophobicContact CB-CD2 3.68Å; K353-F411 HydrophobicContact CB-CE1 4.12Å; K353-F411 HydrophobicContact CB-CE2 3.77Å; K353-F411 HydrophobicContact CB-CG 3.82Å; K353-F411 HydrophobicContact CB-CZ 3.99Å; K353-F411 HydrophobicContact CD-CB 3.92Å; K353-F411 HydrophobicContact CD-CD1 3.71Å; K353-F411 HydrophobicContact CD-CE1 4.34Å; K353-F411 HydrophobicContact CD-CG 3.8Å; K353-F411 HydrophobicContact CG-CD1 4.47Å; K353-F411 HydrophobicContact CG-CG 4.48Å; K353-Y424 WeakPolarHBondContact CA-OH 3.41Å; K353-Y424 HydrophobicContact CG-CE1 4.3Å; K353-Y424 PolarHBondContact O-OH 2.75Å
354E97.2Very high95.6Very high0 Ų026.9 Ų26.90%014%0.136CC..Hα-helixtrans-66.7-37.4179.3-174.767.2167.200112.1C350 V351 L356 R357 I358 D405 F406 Q407 R410 F411C350-E354 PolarHBondContact O-N 3.3Å; V351-E354 PolarHBondContact O-N 3.47Å; E354-L356 PolarHBondContact O-N 3.08Å; E354-R357 WeakPolarHBondContact O-CB 3.29Å; E354-R357 PolarHBondContact O-N 3.39Å; E354-R357 IonicContact OE1-CZ 2.8Å; E354-R357 IonicContact OE1-NE 3.56Å; E354-R357 PolarHBondContact OE1-NE 3.26Å; E354-R357 IonicContact OE1-NH2 3.85Å; E354-R357 PolarHBondContact OE1-NH2 3.09Å; E354-R357 WeakPolarHBondContact OE2-CD 3.32Å; E354-R357 IonicContact OE2-CZ 3.76Å; E354-R357 IonicContact OE2-NE 3.64Å; E354-R357 PolarHBondContact OE2-NE 2.9Å; E354-R357 IonicContact OE2-NH2 2.76Å; E354-I358 HydrophobicContact CG-CD1 4.28Å; E354-I358 PolarHBondContact O-N 3.42Å; E354-D405 VanDerWaalsContact OE1-O 3.11Å; E354-F406 HydrophobicContact CB-CD2 4.38Å; E354-F406 HydrophobicContact CB-CE2 3.97Å; E354-F406 HydrophobicContact CB-CZ 4.47Å; E354-F406 HydrophobicContact CG-CD2 3.62Å; E354-F406 HydrophobicContact CG-CE2 3.72Å; E354-F406 HydrophobicContact CG-CG 4.29Å; E354-F406 HydrophobicContact CG-CZ 4.46Å; E354-Q407 PolarHBondContact OE1-N 3.35Å; E354-Q407 VanDerWaalsContact OE1-N 3.15Å; E354-R410 IonicContact OE1-CZ 2.73Å; E354-R410 IonicContact OE1-NE 2.93Å; E354-R410 PolarHBondContact OE1-NE 3.27Å; E354-R410 IonicContact OE1-NH2 3.33Å; E354-R410 WeakPolarHBondContact OE2-CD 3.32Å; E354-R410 IonicContact OE2-NE 2.83Å; E354-F411 HydrophobicContact CB-CD2 4.25Å; E354-F411 HydrophobicContact CB-CE2 3.91Å; E354-F411 VanDerWaalsContact OE2-CE2 3.26Å; E354-F411 WeakPolarHBondContact OE2-CE2 3.33Å
355T98Very high95.6Very high0 Ų021.8 Ų21.80%012%0.115CC..Hα-helixtrans-60.7-47.1173.4-60.20000111.7T302 L306 F309 V351 I352 K353 R357 I358 N359T302-T355 HydrophobicContact CG2-CG2 4.18Å; L306-T355 HydrophobicContact CD2-CG2 4.11Å; L306-T355 WeakPolarHBondContact CD2-OG1 3.31Å; L306-T355 HydrophobicContact CG-CG2 4.06Å; F309-T355 HydrophobicContact CD2-CG2 3.93Å; F309-T355 HydrophobicContact CE2-CG2 4.12Å; V351-T355 WeakPolarHBondContact O-CB 3.21Å; V351-T355 PolarHBondContact O-N 2.77Å; V351-T355 PolarHBondContact O-OG1 3.43Å; I352-T355 PolarHBondContact O-N 2.97Å; K353-T355 VanDerWaalsContact C-N 3.34Å; K353-T355 PolarHBondContact O-N 2.75Å; T355-R357 VanDerWaalsContact C-N 3.27Å; T355-R357 PolarHBondContact O-N 2.97Å; T355-I358 PolarHBondContact O-N 2.8Å; T355-N359 CarbonylContact O-C 3.59Å; T355-N359 WeakPolarHBondContact O-CA 3.34Å; T355-N359 PolarHBondContact O-N 3.15Å
356L97.1Very high95.5Very high6 Ų623.7 Ų23.73%0.03112%0.124CC..Hα-helixtrans-68.8-23.9177.1-70.7174.7000113T302 I352 K353 E354 P360 P361 P426 F427T302-L356 HydrophobicContact CG2-CD2 3.71Å; T302-L356 HydrophobicContact CG2-CG 4.2Å; I352-L356 HydrophobicContact CG2-CD1 3.94Å; I352-L356 HydrophobicContact CG2-CG 4.4Å; I352-L356 WeakPolarHBondContact O-CB 3.49Å; I352-L356 WeakPolarHBondContact O-CG 3.06Å; I352-L356 PolarHBondContact O-N 2.95Å; K353-L356 PolarHBondContact O-N 3.02Å; E354-L356 PolarHBondContact O-N 3.08Å; L356-P360 WeakPolarHBondContact O-CA 3.49Å; L356-P360 WeakPolarHBondContact O-CB 3.42Å; L356-P361 HydrophobicContact CD2-CG 4.16Å; L356-P426 HydrophobicContact CB-CB 3.79Å; L356-P426 HydrophobicContact CB-CG 4.35Å; L356-P426 HydrophobicContact CD1-CB 4.34Å; L356-P426 HydrophobicContact CD1-CG 4.46Å; L356-P426 HydrophobicContact CG-CB 4.49Å; L356-F427 HydrophobicContact CD1-CE2 3.79Å; L356-F427 HydrophobicContact CD1-CZ 3.67Å
357R95.6Very high95.6Very high8 Ų817.1 Ų17.13%0.039%0.094CC..Hα-helixtrans-68.3-54.6173-172.2-166.46281.6-5.9110.6K353 E354 T355 H394 F400 K403 F411 Y424K353-R357 PolarHBondContact O-N 2.64Å; E354-R357 WeakPolarHBondContact O-CB 3.29Å; E354-R357 PolarHBondContact O-N 3.39Å; E354-R357 IonicContact OE1-CZ 2.8Å; E354-R357 IonicContact OE1-NE 3.56Å; E354-R357 PolarHBondContact OE1-NE 3.26Å; E354-R357 IonicContact OE1-NH2 3.85Å; E354-R357 PolarHBondContact OE1-NH2 3.09Å; E354-R357 WeakPolarHBondContact OE2-CD 3.32Å; E354-R357 IonicContact OE2-CZ 3.76Å; E354-R357 IonicContact OE2-NE 3.64Å; E354-R357 PolarHBondContact OE2-NE 2.9Å; E354-R357 IonicContact OE2-NH2 2.76Å; T355-R357 VanDerWaalsContact C-N 3.27Å; T355-R357 PolarHBondContact O-N 2.97Å; R357-H394 HydrophobicContact CG-CB 4.12Å; R357-H394 PolarHBondContact O-ND1 3.4Å; R357-H394 VanDerWaalsContact O-ND1 3.1Å; R357-F400 VanDerWaalsContact CD-CD1 3.44Å; R357-F400 VanDerWaalsContact CD-CG 3.44Å; R357-F400 HydrophobicContact CG-CD2 4.16Å; R357-F400 HydrophobicContact CG-CE1 4.43Å; R357-F400 HydrophobicContact CG-CE2 3.92Å; R357-F400 HydrophobicContact CG-CZ 4.05Å; R357-K403 VanDerWaalsContact CZ-O 3.28Å; R357-K403 PolarHBondContact NH1-O 2.77Å; R357-K403 PolarHBondContact NH2-O 2.73Å; R357-F411 HydrophobicContact CB-CZ 4.43Å; R357-Y424 HydrophobicContact CB-CD2 4.33Å; R357-Y424 HydrophobicContact CB-CE2 3.86Å; R357-Y424 HydrophobicContact CG-CD2 4.41Å; R357-Y424 HydrophobicContact CG-CE2 4.44Å
358I95.1Very high95.5Very high36 Ų3617.3 Ų17.319%0.18510%0.097CC..Hα-helixtrans-75.1-47.3-174.1-58.6178.4000111.2F309 E354 T355 P360 F406F309-I358 HydrophobicContact CE1-CD1 4.16Å; F309-I358 HydrophobicContact CE1-CG2 4.18Å; F309-I358 HydrophobicContact CE2-CB 4.29Å; F309-I358 HydrophobicContact CE2-CG2 4.46Å; F309-I358 HydrophobicContact CZ-CB 3.8Å; F309-I358 HydrophobicContact CZ-CD1 4.12Å; F309-I358 HydrophobicContact CZ-CG2 3.54Å; E354-I358 HydrophobicContact CG-CD1 4.28Å; E354-I358 PolarHBondContact O-N 3.42Å; T355-I358 PolarHBondContact O-N 2.8Å; I358-P360 VanDerWaalsContact O-CD 3.26Å; I358-P360 WeakPolarHBondContact O-CD 3.41Å; I358-F406 HydrophobicContact CD1-CB 4.28Å; I358-F406 HydrophobicContact CD1-CD2 3.92Å
359N95.6Very high95.5Very high7 Ų717.3 Ų17.34%0.03710%0.098CC..SBendtrans-119.767.7-178.9-76.2-21.3000110.8F309 T355 P361 V472F309-N359 HydrophobicContact CE2-CB 4.19Å; F309-N359 WeakPolarHBondContact CE2-ND2 3.21Å; F309-N359 WeakPolarHBondContact CZ-ND2 3.28Å; T355-N359 CarbonylContact O-C 3.59Å; T355-N359 WeakPolarHBondContact O-CA 3.34Å; T355-N359 PolarHBondContact O-N 3.15Å; N359-P361 VanDerWaalsContact O-CD 3.31Å; N359-P361 WeakPolarHBondContact O-CD 3.41Å; N359-V472 HydrophobicContact CB-CG1 4.04Å
360P95.3Very high95.5Very high1 Ų119 Ų191%0.00610%0.104CC..  trans-62.7122.6172.425.8-31.5000108.5L356 I358 V362 I390 C391 V472L356-P360 WeakPolarHBondContact O-CA 3.49Å; L356-P360 WeakPolarHBondContact O-CB 3.42Å; I358-P360 VanDerWaalsContact O-CD 3.26Å; I358-P360 WeakPolarHBondContact O-CD 3.41Å; P360-V362 PolarHBondContact O-N 2.64Å; P360-I390 HydrophobicContact CB-CG2 3.87Å; P360-I390 HydrophobicContact CG-CG2 4.16Å; P360-C391 HydrophobicContact CG-CB 4Å; P360-V472 WeakPolarHBondContact O-CG2 3.31Å
361P95.4Very high95.5Very high8 Ų823.7 Ų23.75%0.05212%0.124CC..SBendtrans-56.8-39.8-176.6-27.633.9000112.3T298 T302 L356 N359 T471 V472T298-P361 HydrophobicContact CG2-CB 4.37Å; T298-P361 VanDerWaalsContact O-CG 3.28Å; T298-P361 WeakPolarHBondContact O-CG 3.29Å; T302-P361 WeakPolarHBondContact OG1-CG 3.48Å; L356-P361 HydrophobicContact CD2-CG 4.16Å; N359-P361 VanDerWaalsContact O-CD 3.31Å; N359-P361 WeakPolarHBondContact O-CD 3.41Å; P361-T471 WeakPolarHBondContact O-CA 3.49Å; P361-V472 PolarHBondContact O-N 3.39Å
362V93.2Very high95.4Very high54 Ų5425.1 Ų25.133%0.32713%0.132SC..SBendtrans-100.9116.1175.5-179.70000108.7T298 P360 G364T298-V362 HydrophobicContact CG2-CG2 3.81Å; P360-V362 PolarHBondContact O-N 2.64Å; V362-G364 VanDerWaalsContact C-N 3.28Å; V362-G364 VanDerWaalsContact CG1-O 3.26Å; V362-G364 WeakPolarHBondContact CG1-O 3.42Å; V362-G364 PolarHBondContact O-N 2.76Å
363P90.2Very high95.4Very high39 Ų3925.6 Ų25.625%0.25313%0.134SC..  trans-74.7-15.6-173.430.4-37.8000113.9S389 I390 C391 T468P363-S389 CarbonylContact O-C 3.53Å; P363-S389 PolarHBondContact O-OG 2.91Å; P363-I390 PolarHBondContact O-N 3.27Å; P363-C391 PolarHBondContact O-N 2.64Å; P363-T468 HydrophobicContact CB-CG2 4.22Å; P363-T468 HydrophobicContact CG-CG2 3.81Å
364G92.1Very high95.4Very high11 Ų1127.1 Ų27.111%0.11314%0.143CC..EExtended strand (participates in β ladder)trans168.6-172.4-173.800000112.1V362 Y388V362-G364 VanDerWaalsContact C-N 3.28Å; V362-G364 VanDerWaalsContact CG1-O 3.26Å; V362-G364 WeakPolarHBondContact CG1-O 3.42Å; V362-G364 PolarHBondContact O-N 2.76Å; G364-Y388 WeakPolarHBondContact CA-O 3.28Å
365G92.4Very high95.4Very high5 Ų527.4 Ų27.45%0.05214%0.144CC..EExtended strand (participates in β ladder)trans-143.4158.3179.900000113.7I387 Y388G365-I387 WeakPolarHBondContact O-CA 3.43Å; G365-Y388 PolarHBondContact N-O 2.96Å; G365-Y388 VanDerWaalsContact N-O 3.13Å; G365-Y388 VanDerWaalsContact O-CD1 3.28Å; G365-Y388 WeakPolarHBondContact O-CD1 3.47Å; G365-Y388 PolarHBondContact O-N 3.18Å
366F92.5Very high95.3Very high42 Ų4232.7 Ų32.718%0.18417%0.172CC..EExtended strand (participates in β ladder)trans-96.4137.5-176.2-57.2-89.2000111.5Q111 W112 F219 I387Q111-F366 PolarHBondContact N-O 2.64Å; Q111-F366 WeakPolarHBondContact O-CB 3.08Å; W112-F366 AromaticContact CE3-CD2 3.97Å; W112-F366 HydrophobicContact CE3-CD2 3.97Å; W112-F366 HydrophobicContact CE3-CE2 4.32Å; W112-F366 HydrophobicContact CZ3-CD2 4.06Å; W112-F366 HydrophobicContact CZ3-CE2 4.17Å; F219-F366 HydrophobicContact CE1-CE2 4.12Å; F219-F366 HydrophobicContact CE1-CZ 4.35Å; F366-I387 HydrophobicContact CD1-CD1 3.76Å; F366-I387 HydrophobicContact CD1-CG1 3.76Å; F366-I387 HydrophobicContact CE1-CD1 3.62Å; F366-I387 HydrophobicContact CE1-CG1 4.11Å
367R95.8Very high95.2Very high13 Ų1334 Ų345%0.04919%0.187CC..EExtended strand (participates in β ladder)trans-137.7160.3176.8-65.2-64.2176.9-76.8-2.9109.7I100 E104 V108 S109 N385 V386 Y388I100-R367 HydrophobicContact CG2-CG 4.16Å; E104-R367 VanDerWaalsContact OE2-CD 3.29Å; E104-R367 WeakPolarHBondContact OE2-CD 3.35Å; E104-R367 IonicContact OE2-CZ 3.63Å; E104-R367 IonicContact OE2-NE 3.52Å; E104-R367 PolarHBondContact OE2-NE 2.96Å; E104-R367 IonicContact OE2-NH2 2.64Å; V108-R367 HydrophobicContact CB-CB 4.05Å; V108-R367 HydrophobicContact CB-CG 4.32Å; V108-R367 HydrophobicContact CG1-CB 4.45Å; V108-R367 HydrophobicContact CG2-CB 4.44Å; V108-R367 HydrophobicContact CG2-CG 4.16Å; S109-R367 VanDerWaalsContact C-CD 3.47Å; S109-R367 CarbonylContact O-C 3.54Å; S109-R367 WeakPolarHBondContact O-CA 3.49Å; S109-R367 WeakPolarHBondContact O-CD 3.19Å; R367-N385 CarbonylContact O-C 3.58Å; R367-N385 WeakPolarHBondContact O-CA 3.36Å; R367-V386 WeakPolarHBondContact CA-O 3.46Å; R367-V386 HydrophobicContact CB-CB 4.01Å; R367-V386 WeakPolarHBondContact CB-O 3.47Å; R367-V386 PolarHBondContact N-O 3.31Å; R367-V386 PolarHBondContact O-N 2.91Å; R367-Y388 HydrophobicContact CG-CD1 4.47Å
368V96.3Very high95.3Very high21 Ų2137.2 Ų37.213%0.12720%0.2CC..EExtended strand (participates in β ladder)trans-120.3140.2164.4660000109.3V108 S109 Q111 L370V108-V368 CarbonylContact C-O 3.43Å; V108-V368 WeakPolarHBondContact CA-O 3.42Å; S109-V368 PolarHBondContact N-O 3.48Å; S109-V368 PolarHBondContact O-N 3.21Å; Q111-V368 HydrophobicContact CB-CB 4.37Å; Q111-V368 HydrophobicContact CB-CG1 4.19Å; V368-L370 PolarHBondContact O-N 2.85Å
369A97.5Very high95.3Very high3 Ų336 Ų363%0.02519%0.194CC..EExtended strand (participates in β ladder)trans-73.1121.7174.300000110.8F373 I380 P381 G383 W384A369-F373 HydrophobicContact CB-CE1 4.05Å; A369-I380 HydrophobicContact CB-CG2 4.12Å; A369-P381 VanDerWaalsContact CB-O 3.29Å; A369-P381 WeakPolarHBondContact CB-O 3.39Å; A369-G383 PolarHBondContact O-N 3.13Å; A369-W384 PolarHBondContact N-O 2.84Å
370L96.8Very high95.4Very high69 Ų6935.7 Ų35.736%0.36119%0.192SC..SBendtrans-79.9-24.4-179.8-65177000112.6L107 V368 K382L107-L370 PolarHBondContact O-N 3.15Å; V368-L370 PolarHBondContact O-N 2.85Å; L370-K382 WeakPolarHBondContact O-CE 3.45Å
371K96.5Very high95.4Very high102 Ų10235.9 Ų35.944%0.44319%0.193SC..SBendtrans-149.7165.6175.459.9176.5-179.3171.80109L107 F373L107-K371 VanDerWaalsContact CD2-CE 3.41Å; K371-F373 WeakPolarHBondContact O-CD1 3.42Å
372T97.1Very high95.4Very high30 Ų3042.5 Ų42.518%0.18422%0.221CC..  trans-68.7133.6167.7-54.50000109.2D37 C40 Q379 I380 K382D37-T372 HydrophobicContact CB-CG2 3.61Å; D37-T372 WeakPolarHBondContact CB-OG1 3.31Å; D37-T372 WeakPolarHBondContact OD2-CB 3.42Å; D37-T372 PolarHBondContact OD2-OG1 3.36Å; C40-T372 HydrophobicContact CB-CG2 3.98Å; T372-Q379 HydrophobicContact CG2-CB 4.4Å; T372-I380 VanDerWaalsContact CA-O 3.26Å; T372-I380 WeakPolarHBondContact CA-O 3.42Å; T372-K382 PolarHBondContact OG1-N 3.27Å
373F97.3Very high95.4Very high16 Ų1642.1 Ų42.17%0.0723%0.228CC..EExtended strand (participates in β ladder)trans-145.5157.4173.863.2-86.4000111I100 L107 V108 A369 K371 L375 I380I100-F373 HydrophobicContact CD1-CE2 3.82Å; I100-F373 HydrophobicContact CD1-CZ 3.7Å; L107-F373 HydrophobicContact CB-CD1 4.15Å; L107-F373 HydrophobicContact CB-CE1 4.16Å; L107-F373 HydrophobicContact CB-CG 4.48Å; L107-F373 HydrophobicContact CB-CZ 4.48Å; L107-F373 HydrophobicContact CD1-CD2 4.4Å; L107-F373 HydrophobicContact CD2-CB 4.22Å; L107-F373 HydrophobicContact CD2-CG 4.33Å; V108-F373 HydrophobicContact CG1-CE1 3.96Å; V108-F373 HydrophobicContact CG1-CZ 3.93Å; A369-F373 HydrophobicContact CB-CE1 4.05Å; K371-F373 WeakPolarHBondContact O-CD1 3.42Å; F373-L375 HydrophobicContact CD2-CB 4.43Å; F373-L375 HydrophobicContact CE2-CB 4.13Å; F373-I380 HydrophobicContact CD1-CB 4.19Å; F373-I380 HydrophobicContact CD2-CB 4.3Å; F373-I380 HydrophobicContact CD2-CG1 4.19Å; F373-I380 HydrophobicContact CE1-CB 3.81Å; F373-I380 HydrophobicContact CE1-CG1 4.46Å; F373-I380 HydrophobicContact CE1-CG2 3.79Å; F373-I380 HydrophobicContact CE2-CB 3.93Å; F373-I380 HydrophobicContact CE2-CG1 3.68Å; F373-I380 HydrophobicContact CE2-CG2 4.43Å; F373-I380 HydrophobicContact CG-CB 4.42Å; F373-I380 HydrophobicContact CZ-CB 3.66Å; F373-I380 HydrophobicContact CZ-CG1 3.82Å; F373-I380 HydrophobicContact CZ-CG2 3.7Å; F373-I380 PolarHBondContact N-O 3.05Å; F373-I380 PolarHBondContact O-N 3.19Å
374E97.1Very high95.7Very high99 Ų9940.9 Ų40.946%0.46322%0.218SC..EExtended strand (participates in β ladder)trans-86.9136.9173.4-171178.8120.300111S42 Y378S42-E374 PolarHBondContact OG-OE2 3.02Å; E374-Y378 CarbonylContact C-O 3.47Å; E374-Y378 WeakPolarHBondContact CA-O 3.46Å
375L97.1Very high95.8Very high5 Ų541.8 Ų41.83%0.02622%0.221CC..EExtended strand (participates in β ladder)trans-133.7108.9172.5-174.869.2000109.1I78 V91 H99 I100 F373 G377 Y378 I380I78-L375 HydrophobicContact CD1-CB 4.47Å; I78-L375 HydrophobicContact CD1-CD2 3.88Å; I78-L375 HydrophobicContact CD1-CG 3.78Å; V91-L375 HydrophobicContact CG1-CD2 3.93Å; V91-L375 HydrophobicContact CG2-CD2 3.92Å; H99-L375 HydrophobicContact CB-CD1 3.73Å; I100-L375 HydrophobicContact CD1-CD2 3.94Å; I100-L375 HydrophobicContact CG1-CD2 4.23Å; F373-L375 HydrophobicContact CD2-CB 4.43Å; F373-L375 HydrophobicContact CE2-CB 4.13Å; L375-G377 PolarHBondContact O-N 3.13Å; L375-Y378 PolarHBondContact N-O 3.34Å; L375-Y378 PolarHBondContact O-N 3.46Å; L375-Y378 VanDerWaalsContact O-N 3.14Å; L375-I380 HydrophobicContact CB-CD1 4.18Å; L375-I380 HydrophobicContact CB-CG1 3.77Å; L375-I380 HydrophobicContact CD2-CD1 4.36Å; L375-I380 HydrophobicContact CD2-CG1 4.35Å
376N95.1Very high96Very high111 Ų11141.6 Ų41.659%0.59422%0.218SC*.THydrogen-bonded Turntrans50.152.4177.9-166.432.1000113I78 Y378I78-N376 HydrophobicContact CD1-CB 3.66Å; N376-Y378 VanDerWaalsContact C-N 3.29Å; N376-Y378 WeakPolarHBondContact O-CD2 3.3Å; N376-Y378 PolarHBondContact O-N 3.5Å
377G95.6Very high96.2Very high34 Ų3440.2 Ų40.235%0.35121%0.213SC..THydrogen-bonded Turntrans78.62.8178.300000115.7L375L375-G377 PolarHBondContact O-N 3.13Å
378Y97.1Very high96.2Very high75 Ų7540.5 Ų40.529%0.29421%0.214SC..EExtended strand (participates in β ladder)trans-117.7144.1175.2-59.9-68.9000111.9P43 P45 I78 E374 L375 N376P43-Y378 HydrophobicContact CG-CD1 4.11Å; P43-Y378 HydrophobicContact CG-CE1 4.32Å; P43-Y378 CarbonylContact O-C 3.42Å; P43-Y378 VanDerWaalsContact O-CA 3.31Å; P43-Y378 WeakPolarHBondContact O-CA 3.08Å; P45-Y378 HydrophobicContact CB-CG 4.32Å; P45-Y378 HydrophobicContact CG-CG 4.27Å; I78-Y378 HydrophobicContact CB-CD2 4.32Å; I78-Y378 HydrophobicContact CD1-CD2 4.43Å; I78-Y378 HydrophobicContact CG2-CD2 4.39Å; E374-Y378 CarbonylContact C-O 3.47Å; E374-Y378 WeakPolarHBondContact CA-O 3.46Å; L375-Y378 PolarHBondContact N-O 3.34Å; L375-Y378 PolarHBondContact O-N 3.46Å; L375-Y378 VanDerWaalsContact O-N 3.14Å; N376-Y378 VanDerWaalsContact C-N 3.29Å; N376-Y378 WeakPolarHBondContact O-CD2 3.3Å; N376-Y378 PolarHBondContact O-N 3.5Å
379Q95.8Very high96.1Very high12 Ų1239.5 Ų39.56%0.05621%0.208CC..EExtended strand (participates in β ladder)trans-79.7136.8171.167.7168.1-82.800111.4D37 C40 S42 P43 L44 P45 T372 P381D37-Q379 PolarHBondContact O-NE2 2.99Å; C40-Q379 HydrophobicContact CB-CB 4.09Å; C40-Q379 PolarHBondContact O-NE2 3.4Å; C40-Q379 VanDerWaalsContact SG-CB 3.5Å; S42-Q379 VanDerWaalsContact O-CG 3.23Å; S42-Q379 WeakPolarHBondContact O-CG 3.39Å; S42-Q379 PolarHBondContact O-NE2 2.71Å; P43-Q379 PolarHBondContact O-N 3.1Å; L44-Q379 HydrophobicContact CD2-CG 3.98Å; L44-Q379 HydrophobicContact CG-CG 4.35Å; P45-Q379 VanDerWaalsContact CD-O 3.27Å; P45-Q379 WeakPolarHBondContact CD-O 3.48Å; T372-Q379 HydrophobicContact CG2-CB 4.4Å; Q379-P381 WeakPolarHBondContact O-CD 3.28Å
380I97.1Very high96Very high0 Ų039.6 Ų39.60%021%0.208CC..EExtended strand (participates in β ladder)trans-107.4101.5170.3-50.1-57.2000106.9P45 I78 V89 A369 T372 F373 L375 V386P45-I380 HydrophobicContact CG-CD1 4.11Å; I78-I380 HydrophobicContact CG2-CD1 4.47Å; V89-I380 HydrophobicContact CB-CD1 4.28Å; V89-I380 HydrophobicContact CG1-CD1 3.83Å; V89-I380 HydrophobicContact CG2-CD1 4.05Å; V89-I380 HydrophobicContact CG2-CG2 4.4Å; A369-I380 HydrophobicContact CB-CG2 4.12Å; T372-I380 VanDerWaalsContact CA-O 3.26Å; T372-I380 WeakPolarHBondContact CA-O 3.42Å; F373-I380 HydrophobicContact CD1-CB 4.19Å; F373-I380 HydrophobicContact CD2-CB 4.3Å; F373-I380 HydrophobicContact CD2-CG1 4.19Å; F373-I380 HydrophobicContact CE1-CB 3.81Å; F373-I380 HydrophobicContact CE1-CG1 4.46Å; F373-I380 HydrophobicContact CE1-CG2 3.79Å; F373-I380 HydrophobicContact CE2-CB 3.93Å; F373-I380 HydrophobicContact CE2-CG1 3.68Å; F373-I380 HydrophobicContact CE2-CG2 4.43Å; F373-I380 HydrophobicContact CG-CB 4.42Å; F373-I380 HydrophobicContact CZ-CB 3.66Å; F373-I380 HydrophobicContact CZ-CG1 3.82Å; F373-I380 HydrophobicContact CZ-CG2 3.7Å; F373-I380 PolarHBondContact N-O 3.05Å; F373-I380 PolarHBondContact O-N 3.19Å; L375-I380 HydrophobicContact CB-CD1 4.18Å; L375-I380 HydrophobicContact CB-CG1 3.77Å; L375-I380 HydrophobicContact CD2-CD1 4.36Å; L375-I380 HydrophobicContact CD2-CG1 4.35Å; I380-V386 HydrophobicContact CG2-CG2 3.65Å
381P95.9Very high95.8Very high4 Ų437.2 Ų37.23%0.02620%0.197CC..  trans-68.5148.1-172-19.632000112.9G35 L44 A369 Q379 G383 W384G35-P381 WeakPolarHBondContact O-CB 3.06Å; G35-P381 WeakPolarHBondContact O-CG 3.23Å; L44-P381 HydrophobicContact CD2-CG 3.43Å; L44-P381 VanDerWaalsContact CD2-CG 3.43Å; A369-P381 VanDerWaalsContact CB-O 3.29Å; A369-P381 WeakPolarHBondContact CB-O 3.39Å; Q379-P381 WeakPolarHBondContact O-CD 3.28Å; P381-G383 PolarHBondContact O-N 3.22Å; P381-W384 HydrophobicContact CB-CD2 4.35Å; P381-W384 HydrophobicContact CB-CG 4.11Å; P381-W384 HydrophobicContact CG-CD2 4Å; P381-W384 HydrophobicContact CG-CG 4.24Å; P381-W384 HydrophobicContact CG-CZ2 4.13Å; P381-W384 WeakPolarHBondContact O-CB 3.3Å; P381-W384 PolarHBondContact O-N 3.04Å
382K95.4Very high95.6Very high147 Ų14733 Ų3364%0.63918%0.179SC*.THydrogen-bonded Turntrans-52.1136.8172.3-176.2177.3178.9-175.70111.3L370 T372 W384L370-K382 WeakPolarHBondContact O-CE 3.45Å; T372-K382 PolarHBondContact OG1-N 3.27Å; K382-W384 PolarHBondContact O-N 3.31Å
383G94.1Very high95.5Very high46 Ų4631.6 Ų31.647%0.47417%0.171SC..THydrogen-bonded Turntrans82.1-9.9177.100000114.8A369 P381A369-G383 PolarHBondContact O-N 3.13Å; P381-G383 PolarHBondContact O-N 3.22Å
384W94.7Very high95.3Very high13 Ų1330.9 Ų30.95%0.04917%0.168CC..  trans-72146.2173.6-75.939.9000111L44 M49 R80 P87 V89 A369 P381 K382L44-W384 HydrophobicContact CD1-CH2 4.26Å; L44-W384 HydrophobicContact CD2-CH2 3.84Å; L44-W384 HydrophobicContact CD2-CZ2 4.16Å; L44-W384 HydrophobicContact CD2-CZ3 4.35Å; M49-W384 HydrophobicContact CE-CH2 3.23Å; M49-W384 HydrophobicContact CE-CZ2 4.04Å; M49-W384 HydrophobicContact CE-CZ3 3.64Å; R80-W384 HydrophobicContact CB-CZ3 3.91Å; P87-W384 HydrophobicContact CB-CD2 3.55Å; P87-W384 HydrophobicContact CB-CE3 3.88Å; P87-W384 HydrophobicContact CB-CG 3.94Å; P87-W384 HydrophobicContact CB-CH2 4.42Å; P87-W384 HydrophobicContact CB-CZ2 4.09Å; P87-W384 HydrophobicContact CB-CZ3 4.32Å; V89-W384 HydrophobicContact CG2-CE3 3.71Å; V89-W384 HydrophobicContact CG2-CZ3 4.18Å; A369-W384 PolarHBondContact N-O 2.84Å; P381-W384 HydrophobicContact CB-CD2 4.35Å; P381-W384 HydrophobicContact CB-CG 4.11Å; P381-W384 HydrophobicContact CG-CD2 4Å; P381-W384 HydrophobicContact CG-CG 4.24Å; P381-W384 HydrophobicContact CG-CZ2 4.13Å; P381-W384 WeakPolarHBondContact O-CB 3.3Å; P381-W384 PolarHBondContact O-N 3.04Å; K382-W384 PolarHBondContact O-N 3.31Å
385N95.1Very high95Very high31 Ų3128.2 Ų28.217%0.16616%0.156CC..EExtended strand (participates in β ladder)trans-70.3143.6170-74.9-15.4000109.8N86 P87 T88 V89 R367N86-N385 VanDerWaalsContact CB-ND2 3.25Å; N86-N385 WeakPolarHBondContact CB-ND2 2.94Å; P87-N385 PolarHBondContact O-N 2.92Å; T88-N385 CarbonylContact C-O 3.47Å; T88-N385 VanDerWaalsContact CA-O 3.32Å; T88-N385 WeakPolarHBondContact CA-O 3.41Å; T88-N385 HydrophobicContact CG2-CB 4.07Å; V89-N385 PolarHBondContact N-O 2.87Å; R367-N385 CarbonylContact O-C 3.58Å; R367-N385 WeakPolarHBondContact O-CA 3.36Å
386V97.1Very high94.6Very high0 Ų029.6 Ų29.60%017%0.165CC..EExtended strand (participates in β ladder)trans-124119.6171.6179.60000107.5V89 V91 I100 V108 R367 I380V89-V386 CarbonylContact O-C 3.48Å; V89-V386 WeakPolarHBondContact O-CA 3.49Å; V91-V386 HydrophobicContact CG2-CG1 3.77Å; I100-V386 HydrophobicContact CD1-CG1 4.04Å; I100-V386 HydrophobicContact CG1-CG1 4.19Å; I100-V386 HydrophobicContact CG2-CG1 4.21Å; V108-V386 HydrophobicContact CG1-CG2 4.5Å; R367-V386 WeakPolarHBondContact CA-O 3.46Å; R367-V386 HydrophobicContact CB-CB 4.01Å; R367-V386 WeakPolarHBondContact CB-O 3.47Å; R367-V386 PolarHBondContact N-O 3.31Å; R367-V386 PolarHBondContact O-N 2.91Å; I380-V386 HydrophobicContact CG2-CG2 3.65Å
387I95.6Very high94.3Very high14 Ų1424.9 Ų24.97%0.07214%0.142CC..EExtended strand (participates in β ladder)trans-112104.2175.5-56.6178000107.9L83 T88 V89 R90 V91 G365 F366L83-I387 HydrophobicContact CD1-CD1 4.23Å; T88-I387 HydrophobicContact CG2-CB 4.44Å; T88-I387 HydrophobicContact CG2-CD1 3.66Å; T88-I387 HydrophobicContact CG2-CG1 3.73Å; V89-I387 PolarHBondContact O-N 3.38Å; R90-I387 WeakPolarHBondContact CA-O 3.33Å; R90-I387 VanDerWaalsContact NH1-CG2 3.26Å; V91-I387 PolarHBondContact N-O 2.91Å; G365-I387 WeakPolarHBondContact O-CA 3.43Å; F366-I387 HydrophobicContact CD1-CD1 3.76Å; F366-I387 HydrophobicContact CD1-CG1 3.76Å; F366-I387 HydrophobicContact CE1-CD1 3.62Å; F366-I387 HydrophobicContact CE1-CG1 4.11Å
388Y96.1Very high93.8Very high18 Ų1832 Ų327%0.07117%0.166CC..EExtended strand (participates in β ladder)trans-79.8146.3172.475.7-87.7000110V91 L101 G364 G365 R367 I390V91-Y388 CarbonylContact O-C 3.6Å; V91-Y388 VanDerWaalsContact O-CA 3.23Å; V91-Y388 WeakPolarHBondContact O-CA 3.41Å; L101-Y388 HydrophobicContact CD1-CD2 4.45Å; L101-Y388 HydrophobicContact CD1-CE2 4.3Å; L101-Y388 HydrophobicContact CD2-CD1 4.07Å; L101-Y388 HydrophobicContact CD2-CD2 4.33Å; L101-Y388 HydrophobicContact CD2-CE1 3.69Å; L101-Y388 HydrophobicContact CD2-CE2 3.97Å; L101-Y388 HydrophobicContact CD2-CG 4.38Å; G364-Y388 WeakPolarHBondContact CA-O 3.28Å; G365-Y388 PolarHBondContact N-O 2.96Å; G365-Y388 VanDerWaalsContact N-O 3.13Å; G365-Y388 VanDerWaalsContact O-CD1 3.28Å; G365-Y388 WeakPolarHBondContact O-CD1 3.47Å; G365-Y388 PolarHBondContact O-N 3.18Å; R367-Y388 HydrophobicContact CG-CD1 4.47Å; Y388-I390 HydrophobicContact CD2-CG1 4.37Å; Y388-I390 HydrophobicContact CE2-CD1 4.14Å; Y388-I390 HydrophobicContact CE2-CG1 3.84Å
389S95Very high93.2Very high1 Ų130 Ų301%0.00716%0.16CC..EExtended strand (participates in β ladder)trans-116.7119.2-176.3-151.40000111.7R90 V91 P363 C391 D392 T393R90-S389 VanDerWaalsContact NH2-CB 3.33Å; R90-S389 PolarHBondContact NH2-OG 3.29Å; V91-S389 PolarHBondContact O-N 3.42Å; P363-S389 CarbonylContact O-C 3.53Å; P363-S389 PolarHBondContact O-OG 2.91Å; S389-C391 PolarHBondContact OG-SG 2.82Å; S389-D392 VanDerWaalsContact OG-CG 3.32Å; S389-D392 PolarHBondContact OG-OD2 2.89Å; S389-T393 VanDerWaalsContact O-CB 3.31Å; S389-T393 WeakPolarHBondContact O-CB 3.37Å; S389-T393 PolarHBondContact O-N 3.45Å; S389-T393 PolarHBondContact O-OG1 3.4Å
390I95.1Very high92.9Very high4 Ų430 Ų302%0.02116%0.16CC..Hα-helixtrans-72.9-50.9172.1-65.8169.4000109.2P360 P363 Y388 D392 T393 H394 V425P360-I390 HydrophobicContact CB-CG2 3.87Å; P360-I390 HydrophobicContact CG-CG2 4.16Å; P363-I390 PolarHBondContact O-N 3.27Å; Y388-I390 HydrophobicContact CD2-CG1 4.37Å; Y388-I390 HydrophobicContact CE2-CD1 4.14Å; Y388-I390 HydrophobicContact CE2-CG1 3.84Å; I390-D392 PolarHBondContact O-N 3.13Å; I390-T393 PolarHBondContact O-N 2.96Å; I390-T393 VanDerWaalsContact O-N 3.12Å; I390-H394 VanDerWaalsContact CG2-CE1 3.42Å; I390-H394 WeakPolarHBondContact CG2-CE1 3.21Å; I390-H394 PolarHBondContact O-N 2.83Å; I390-V425 HydrophobicContact CG1-CG2 4.21Å; I390-V425 HydrophobicContact CG2-CG2 4.35Å
391C91.8Very high92.3Very high19 Ų1933.8 Ų33.813%0.12818%0.184CC..Hα-helixtrans-58.1-48.6-177.659.80000112.4P360 P363 S389 T393 H394 D395P360-C391 HydrophobicContact CG-CB 4Å; P363-C391 PolarHBondContact O-N 2.64Å; S389-C391 PolarHBondContact OG-SG 2.82Å; C391-T393 VanDerWaalsContact C-N 3.28Å; C391-T393 PolarHBondContact O-N 3.46Å; C391-H394 PolarHBondContact O-N 3.34Å; C391-D395 VanDerWaalsContact O-CB 3.26Å; C391-D395 WeakPolarHBondContact O-CB 3.1Å; C391-D395 PolarHBondContact O-N 2.78Å
392D93.1Very high92Very high13 Ų1339 Ų397%0.0721%0.212CC..Hα-helixtrans-68-30.3180-59.5-17000111.6R72 R90 S389 I390 V396R72-D392 IonicContact CZ-OD1 3.58Å; R72-D392 IonicContact NH1-OD1 3.32Å; R72-D392 PolarHBondContact NH1-OD1 3.41Å; R72-D392 IonicContact NH1-OD2 2.79Å; R72-D392 PolarHBondContact NH1-OD2 3.19Å; R90-D392 IonicContact CZ-OD2 2.79Å; R90-D392 IonicContact NH2-OD2 2.73Å; R90-D392 PolarHBondContact NH2-OD2 2.97Å; S389-D392 VanDerWaalsContact OG-CG 3.32Å; S389-D392 PolarHBondContact OG-OD2 2.89Å; I390-D392 PolarHBondContact O-N 3.13Å; D392-V396 WeakPolarHBondContact O-CG1 3.38Å; D392-V396 VanDerWaalsContact O-CG2 3.24Å; D392-V396 WeakPolarHBondContact O-CG2 3.19Å; D392-V396 PolarHBondContact O-N 2.89Å
393T94.2Very high91.6Very high1 Ų135.2 Ų35.21%0.00620%0.195CC..Hα-helixtrans-71.8-43.6176.4-59.90000111.4G93 I97 S389 I390 C391 D395 V396 A397G93-T393 PolarHBondContact N-OG1 2.84Å; I97-T393 HydrophobicContact CD1-CG2 3.75Å; I97-T393 HydrophobicContact CG1-CG2 4.26Å; S389-T393 VanDerWaalsContact O-CB 3.31Å; S389-T393 WeakPolarHBondContact O-CB 3.37Å; S389-T393 PolarHBondContact O-N 3.45Å; S389-T393 PolarHBondContact O-OG1 3.4Å; I390-T393 PolarHBondContact O-N 2.96Å; I390-T393 VanDerWaalsContact O-N 3.12Å; C391-T393 VanDerWaalsContact C-N 3.28Å; C391-T393 PolarHBondContact O-N 3.46Å; T393-D395 VanDerWaalsContact C-N 3.26Å; T393-D395 PolarHBondContact O-N 2.82Å; T393-V396 PolarHBondContact O-N 2.76Å; T393-A397 VanDerWaalsContact O-CB 3.29Å; T393-A397 WeakPolarHBondContact O-CB 3.28Å; T393-A397 PolarHBondContact O-N 3.37Å
394H93.3Very high91.4Very high2 Ų239.3 Ų39.31%0.00921%0.207CC..Hα-helixtrans-63.2-34.9173.7-66.2179.1000112.1R357 I390 C391 V396 Y424 V425R357-H394 HydrophobicContact CG-CB 4.12Å; R357-H394 PolarHBondContact O-ND1 3.4Å; R357-H394 VanDerWaalsContact O-ND1 3.1Å; I390-H394 VanDerWaalsContact CG2-CE1 3.42Å; I390-H394 WeakPolarHBondContact CG2-CE1 3.21Å; I390-H394 PolarHBondContact O-N 2.83Å; C391-H394 PolarHBondContact O-N 3.34Å; H394-V396 VanDerWaalsContact C-N 3.34Å; H394-Y424 AromaticContact NE2-CD2 3.96Å; H394-V425 PolarHBondContact NE2-N 3.46Å
395D90.1Very high91.4Very high42 Ų4243.1 Ų43.123%0.22523%0.228CC..Hα-helixtrans-70.7-24.9-180-177.761.1000113.8R72 C391 T393 K403R72-D395 IonicContact CZ-OD2 3.56Å; R72-D395 IonicContact NH2-OD2 3.69Å; R72-D395 PolarHBondContact NH2-OD2 2.84Å; C391-D395 VanDerWaalsContact O-CB 3.26Å; C391-D395 WeakPolarHBondContact O-CB 3.1Å; C391-D395 PolarHBondContact O-N 2.78Å; T393-D395 VanDerWaalsContact C-N 3.26Å; T393-D395 PolarHBondContact O-N 2.82Å; D395-K403 WeakPolarHBondContact O-CD 3.27Å; D395-K403 WeakPolarHBondContact O-CE 3.34Å; D395-K403 PolarHBondContact O-NZ 3.29Å; D395-K403 WeakPolarHBondContact OD1-CD 3.23Å; D395-K403 VanDerWaalsContact OD1-CE 3.3Å; D395-K403 WeakPolarHBondContact OD1-CE 3.38Å; D395-K403 IonicContact OD1-NZ 2.72Å; D395-K403 PolarHBondContact OD1-NZ 3.38Å; D395-K403 IonicContact OD2-NZ 2.7Å; D395-K403 PolarHBondContact OD2-NZ 3.18Å
396V88.6Confident91.5Very high34 Ų3442.7 Ų42.721%0.20623%0.225CC..Hα-helixtrans-114.83.2-178-52.70000113.2Y77 D392 T393 H394 E398Y77-V396 HydrophobicContact CD1-CG2 4.34Å; Y77-V396 HydrophobicContact CE1-CB 3.96Å; Y77-V396 HydrophobicContact CE1-CG1 4Å; Y77-V396 HydrophobicContact CE1-CG2 3.72Å; D392-V396 WeakPolarHBondContact O-CG1 3.38Å; D392-V396 VanDerWaalsContact O-CG2 3.24Å; D392-V396 WeakPolarHBondContact O-CG2 3.19Å; D392-V396 PolarHBondContact O-N 2.89Å; T393-V396 PolarHBondContact O-N 2.76Å; H394-V396 VanDerWaalsContact C-N 3.34Å; V396-E398 PolarHBondContact O-N 2.84Å
397A89.3Confident91.4Very high13 Ų1346.5 Ų46.511%0.10724%0.242CC..  trans-71.3124.2179.400000110.8T393 I399 F400 Q423T393-A397 VanDerWaalsContact O-CB 3.29Å; T393-A397 WeakPolarHBondContact O-CB 3.28Å; T393-A397 PolarHBondContact O-N 3.37Å; A397-I399 HydrophobicContact CB-CG1 4.32Å; A397-I399 PolarHBondContact O-N 2.73Å; A397-I399 VanDerWaalsContact O-N 3.16Å; A397-F400 HydrophobicContact CB-CD2 3.75Å; A397-F400 HydrophobicContact CB-CE2 4.03Å; A397-F400 PolarHBondContact O-N 3.35Å; A397-F400 VanDerWaalsContact O-N 3.11Å; A397-Q423 HydrophobicContact CB-CB 4.12Å
398E85.1Confident91.4Very high183 Ų18345.9 Ų45.986%0.85524%0.239SC*.THydrogen-bonded Turntrans-62.2-24.3-174.8-64.2174.3-179.400113.3V396 F400V396-E398 PolarHBondContact O-N 2.84Å; E398-F400 PolarHBondContact O-N 2.9Å
399I85.1Confident91.2Very high32 Ų3247.5 Ų47.516%0.16425%0.247CC..THydrogen-bonded Turntrans-70-6.9177.263.2172.1000114.1A397 P401 A417 Q423A397-I399 HydrophobicContact CB-CG1 4.32Å; A397-I399 PolarHBondContact O-N 2.73Å; A397-I399 VanDerWaalsContact O-N 3.16Å; I399-P401 VanDerWaalsContact C-CD 3.42Å; I399-P401 WeakPolarHBondContact O-CD 3.23Å; I399-A417 HydrophobicContact CD1-CB 4.2Å; I399-Q423 HydrophobicContact CD1-CB 3.51Å; I399-Q423 HydrophobicContact CD1-CG 4.43Å; I399-Q423 HydrophobicContact CG1-CB 4.05Å
400F88.6Confident91Very high13 Ų1348.8 Ų48.86%0.05725%0.252CS..  trans-114.675.1-179.5-56-52.7000111.3R357 A397 E398 F411 Y424R357-F400 VanDerWaalsContact CD-CD1 3.44Å; R357-F400 VanDerWaalsContact CD-CG 3.44Å; R357-F400 HydrophobicContact CG-CD2 4.16Å; R357-F400 HydrophobicContact CG-CE1 4.43Å; R357-F400 HydrophobicContact CG-CE2 3.92Å; R357-F400 HydrophobicContact CG-CZ 4.05Å; A397-F400 HydrophobicContact CB-CD2 3.75Å; A397-F400 HydrophobicContact CB-CE2 4.03Å; A397-F400 PolarHBondContact O-N 3.35Å; A397-F400 VanDerWaalsContact O-N 3.11Å; E398-F400 PolarHBondContact O-N 2.9Å; F400-F411 HydrophobicContact CE1-CE1 4Å; F400-F411 AromaticContact CE1-CZ 3.77Å; F400-F411 HydrophobicContact CE1-CZ 3.77Å; F400-F411 HydrophobicContact CZ-CE1 4.36Å; F400-F411 HydrophobicContact CZ-CZ 4.19Å; F400-Y424 AromaticContact CZ-CD2 3.97Å; F400-Y424 HydrophobicContact CZ-CD2 3.97Å; F400-Y424 HydrophobicContact CZ-CG 4.34Å
401P84.9Confident90.8Very high79 Ų7949.2 Ų49.251%0.51325%0.254SS..THydrogen-bonded Turntrans-64.1150.3171.229.8-35.3000110.2I399 K403 R410I399-P401 VanDerWaalsContact C-CD 3.42Å; I399-P401 WeakPolarHBondContact O-CD 3.23Å; P401-K403 VanDerWaalsContact C-N 3.28Å; P401-K403 PolarHBondContact O-N 3.39Å; P401-R410 PolarHBondContact O-NH1 3.5Å; P401-R410 PolarHBondContact O-NH2 3.25Å
402N89.2Confident90.6Very high115 Ų11552.5 Ų52.562%0.61527%0.27SS*.THydrogen-bonded Turntrans50.649.8-176.9-52.4-28.7000111.8D404 D405 R410N402-D404 PolarHBondContact O-N 2.8Å; N402-D404 VanDerWaalsContact O-N 3.08Å; N402-D405 WeakPolarHBondContact CB-OD2 3.42Å; N402-D405 WeakPolarHBondContact O-CB 3.33Å; N402-D405 PolarHBondContact O-N 2.93Å; N402-R410 PolarHBondContact O-NH2 2.8Å
403K87.7Confident89.7Confident66 Ų6656.7 Ų56.729%0.28730%0.296SS..THydrogen-bonded Turntrans-59.1-19.5-170.161.6177.8179.4168.10115.8R357 D395 P401R357-K403 VanDerWaalsContact CZ-O 3.28Å; R357-K403 PolarHBondContact NH1-O 2.77Å; R357-K403 PolarHBondContact NH2-O 2.73Å; D395-K403 WeakPolarHBondContact O-CD 3.27Å; D395-K403 WeakPolarHBondContact O-CE 3.34Å; D395-K403 PolarHBondContact O-NZ 3.29Å; D395-K403 WeakPolarHBondContact OD1-CD 3.23Å; D395-K403 VanDerWaalsContact OD1-CE 3.3Å; D395-K403 WeakPolarHBondContact OD1-CE 3.38Å; D395-K403 IonicContact OD1-NZ 2.72Å; D395-K403 PolarHBondContact OD1-NZ 3.38Å; D395-K403 IonicContact OD2-NZ 2.7Å; D395-K403 PolarHBondContact OD2-NZ 3.18Å; P401-K403 VanDerWaalsContact C-N 3.28Å; P401-K403 PolarHBondContact O-N 3.39Å
404D90.4Very high88.2Confident133 Ų13364.4 Ų64.471%0.71133%0.332SS*.THydrogen-bonded Turntrans-83.3-18.5179.5-62.9-48000111.7N402N402-D404 PolarHBondContact O-N 2.8Å; N402-D404 VanDerWaalsContact O-N 3.08Å
405D93.9Very high86.3Confident93 Ų9369.7 Ų69.750%0.49737%0.366SS..SBendtrans-81.7132.5178.5-60.3-21000110.9E354 N402 Q407 R410E354-D405 VanDerWaalsContact OE1-O 3.11Å; N402-D405 WeakPolarHBondContact CB-OD2 3.42Å; N402-D405 WeakPolarHBondContact O-CB 3.33Å; N402-D405 PolarHBondContact O-N 2.93Å; D405-Q407 PolarHBondContact O-N 3.17Å; D405-Q407 VanDerWaalsContact O-N 3.1Å; D405-R410 PolarHBondContact O-NH2 2.74Å; D405-R410 VanDerWaalsContact O-NH2 3.16Å
406F96.9Very high84.3Confident22 Ų2269.8 Ų69.810%0.09637%0.37CS..  trans-76.894.2172.6-174.2-101.6000109.9F309 N313 A316 V351 E354 I358 P408F309-F406 HydrophobicContact CB-CD1 4.17Å; F309-F406 HydrophobicContact CB-CD2 3.75Å; F309-F406 HydrophobicContact CB-CE1 4.04Å; F309-F406 HydrophobicContact CB-CE2 3.62Å; F309-F406 HydrophobicContact CB-CG 4.03Å; F309-F406 HydrophobicContact CB-CZ 3.77Å; F309-F406 HydrophobicContact CD1-CB 4.12Å; F309-F406 AromaticContact CD1-CD2 3.61Å; F309-F406 HydrophobicContact CD1-CD2 3.61Å; F309-F406 HydrophobicContact CD1-CE2 4.23Å; F309-F406 AromaticContact CD1-CG 3.95Å; F309-F406 HydrophobicContact CD1-CG 3.95Å; F309-F406 AromaticContact CD2-CD2 3.92Å; F309-F406 HydrophobicContact CD2-CD2 3.92Å; F309-F406 AromaticContact CD2-CE2 3.77Å; F309-F406 HydrophobicContact CD2-CE2 3.77Å; F309-F406 HydrophobicContact CE1-CD2 4.17Å; F309-F406 HydrophobicContact CE2-CD2 4.44Å; F309-F406 AromaticContact CG-CD2 3.5Å; F309-F406 HydrophobicContact CG-CD2 3.5Å; F309-F406 VanDerWaalsContact CG-CD2 3.5Å; F309-F406 AromaticContact CG-CE2 3.63Å; F309-F406 HydrophobicContact CG-CE2 3.63Å; F309-F406 HydrophobicContact CG-CG 4.08Å; F309-F406 HydrophobicContact CG-CZ 4.3Å; N313-F406 HydrophobicContact CB-CD1 4.27Å; A316-F406 HydrophobicContact CB-CE1 4.46Å; V351-F406 HydrophobicContact CG1-CZ 4.11Å; E354-F406 HydrophobicContact CB-CD2 4.38Å; E354-F406 HydrophobicContact CB-CE2 3.97Å; E354-F406 HydrophobicContact CB-CZ 4.47Å; E354-F406 HydrophobicContact CG-CD2 3.62Å; E354-F406 HydrophobicContact CG-CE2 3.72Å; E354-F406 HydrophobicContact CG-CG 4.29Å; E354-F406 HydrophobicContact CG-CZ 4.46Å; I358-F406 HydrophobicContact CD1-CB 4.28Å; I358-F406 HydrophobicContact CD1-CD2 3.92Å; F406-P408 HydrophobicContact CD1-CG 4.16Å; F406-P408 HydrophobicContact CE1-CG 3.6Å; F406-P408 HydrophobicContact CZ-CG 3.99Å
407Q95Very high82.4Confident79 Ų7970.1 Ų70.137%0.36938%0.376SS..  trans-124.392.2-177.5-173.6-176.53600109.3E354 D405 E409 R410E354-Q407 PolarHBondContact OE1-N 3.35Å; E354-Q407 VanDerWaalsContact OE1-N 3.15Å; D405-Q407 PolarHBondContact O-N 3.17Å; D405-Q407 VanDerWaalsContact O-N 3.1Å; Q407-E409 HydrophobicContact CG-CB 4.38Å; Q407-E409 PolarHBondContact O-N 3.46Å; Q407-R410 HydrophobicContact CB-CG 4.31Å; Q407-R410 HydrophobicContact CG-CG 4.36Å; Q407-R410 WeakPolarHBondContact O-CD 3.35Å; Q407-R410 WeakPolarHBondContact O-CG 3.41Å; Q407-R410 PolarHBondContact O-NE 3.44Å; Q407-R410 VanDerWaalsContact OE1-CZ 3.28Å; Q407-R410 VanDerWaalsContact OE1-NH1 3.17Å
408P95.6Very high80.4Confident2 Ų273.8 Ų73.81%0.01339%0.394CS..G310 helixtrans-57.7-31.9176.3-28.137.1000113.9Y347 C350 V351 F406 R410 F411Y347-P408 HydrophobicContact CE2-CB 3.93Å; C350-P408 HydrophobicContact CB-CB 4.08Å; C350-P408 WeakPolarHBondContact CB-O 3.48Å; V351-P408 HydrophobicContact CB-CG 4.46Å; V351-P408 HydrophobicContact CG2-CB 3.83Å; V351-P408 HydrophobicContact CG2-CG 3.69Å; F406-P408 HydrophobicContact CD1-CG 4.16Å; F406-P408 HydrophobicContact CE1-CG 3.6Å; F406-P408 HydrophobicContact CZ-CG 3.99Å; P408-R410 PolarHBondContact O-N 3.33Å; P408-R410 VanDerWaalsContact O-N 3.07Å; P408-F411 PolarHBondContact O-N 2.87Å
409E92.9Very high78.9Confident51 Ų5169.4 Ų69.424%0.23838%0.384CS..G310 helixtrans-60.2-24.3-170-67.174.6-168.100113.8K319 Y347 Q407 F411 L412K319-E409 WeakPolarHBondContact CD-OE1 3.19Å; K319-E409 IonicContact NZ-OE1 2.78Å; K319-E409 PolarHBondContact NZ-OE1 3.38Å; Y347-E409 HydrophobicContact CE2-CG 4.17Å; Y347-E409 WeakPolarHBondContact CE2-OE1 3.17Å; Y347-E409 PolarHBondContact OH-OE1 3.2Å; Q407-E409 HydrophobicContact CG-CB 4.38Å; Q407-E409 PolarHBondContact O-N 3.46Å; E409-F411 PolarHBondContact O-N 2.9Å; E409-L412 HydrophobicContact CB-CD1 4.07Å; E409-L412 HydrophobicContact CG-CD1 4.01Å; E409-L412 WeakPolarHBondContact O-CB 3.43Å; E409-L412 PolarHBondContact O-N 2.91Å
410R90.3Very high77.4Confident29 Ų2970.9 Ų70.911%0.10940%0.397CS..G310 helixtrans-60.1-15.6173.528.1163.8129.6-96.66.1113.6E354 P401 N402 D405 Q407 P408E354-R410 IonicContact OE1-CZ 2.73Å; E354-R410 IonicContact OE1-NE 2.93Å; E354-R410 PolarHBondContact OE1-NE 3.27Å; E354-R410 IonicContact OE1-NH2 3.33Å; E354-R410 WeakPolarHBondContact OE2-CD 3.32Å; E354-R410 IonicContact OE2-NE 2.83Å; P401-R410 PolarHBondContact O-NH1 3.5Å; P401-R410 PolarHBondContact O-NH2 3.25Å; N402-R410 PolarHBondContact O-NH2 2.8Å; D405-R410 PolarHBondContact O-NH2 2.74Å; D405-R410 VanDerWaalsContact O-NH2 3.16Å; Q407-R410 HydrophobicContact CB-CG 4.31Å; Q407-R410 HydrophobicContact CG-CG 4.36Å; Q407-R410 WeakPolarHBondContact O-CD 3.35Å; Q407-R410 WeakPolarHBondContact O-CG 3.41Å; Q407-R410 PolarHBondContact O-NE 3.44Å; Q407-R410 VanDerWaalsContact OE1-CZ 3.28Å; Q407-R410 VanDerWaalsContact OE1-NH1 3.17Å; P408-R410 PolarHBondContact O-N 3.33Å; P408-R410 VanDerWaalsContact O-N 3.07Å
411F91.1Very high76.6Confident13 Ų1376 Ų766%0.05742%0.416CS..G310 helixtrans-98.90.8174.4-63.7-73.7000114.7C350 K353 E354 R357 F400 P408 E409 Y424C350-F411 HydrophobicContact CB-CB 3.96Å; C350-F411 PolarHBondContact SG-O 3.35Å; K353-F411 HydrophobicContact CB-CB 4.5Å; K353-F411 HydrophobicContact CB-CD1 4.04Å; K353-F411 HydrophobicContact CB-CD2 3.68Å; K353-F411 HydrophobicContact CB-CE1 4.12Å; K353-F411 HydrophobicContact CB-CE2 3.77Å; K353-F411 HydrophobicContact CB-CG 3.82Å; K353-F411 HydrophobicContact CB-CZ 3.99Å; K353-F411 HydrophobicContact CD-CB 3.92Å; K353-F411 HydrophobicContact CD-CD1 3.71Å; K353-F411 HydrophobicContact CD-CE1 4.34Å; K353-F411 HydrophobicContact CD-CG 3.8Å; K353-F411 HydrophobicContact CG-CD1 4.47Å; K353-F411 HydrophobicContact CG-CG 4.48Å; E354-F411 HydrophobicContact CB-CD2 4.25Å; E354-F411 HydrophobicContact CB-CE2 3.91Å; E354-F411 VanDerWaalsContact OE2-CE2 3.26Å; E354-F411 WeakPolarHBondContact OE2-CE2 3.33Å; R357-F411 HydrophobicContact CB-CZ 4.43Å; F400-F411 HydrophobicContact CE1-CE1 4Å; F400-F411 AromaticContact CE1-CZ 3.77Å; F400-F411 HydrophobicContact CE1-CZ 3.77Å; F400-F411 HydrophobicContact CZ-CE1 4.36Å; F400-F411 HydrophobicContact CZ-CZ 4.19Å; P408-F411 PolarHBondContact O-N 2.87Å; E409-F411 PolarHBondContact O-N 2.9Å; F411-Y424 HydrophobicContact CE1-CD2 4.4Å; F411-Y424 HydrophobicContact CE1-CE2 4.42Å; F411-Y424 HydrophobicContact CE1-CG 4.48Å; F411-Y424 HydrophobicContact CZ-CD2 4.29Å; F411-Y424 HydrophobicContact CZ-CE2 4.09Å
412L87.4Confident76.7Confident87 Ų8773 Ų7346%0.45540%0.395SS..THydrogen-bonded Turntrans-76.1-36.4177.9-74171.3000112.7Y347 E409Y347-L412 HydrophobicContact CD2-CD1 4.3Å; Y347-L412 HydrophobicContact CD2-CD2 4.31Å; E409-L412 HydrophobicContact CB-CD1 4.07Å; E409-L412 HydrophobicContact CG-CD1 4.01Å; E409-L412 WeakPolarHBondContact O-CB 3.43Å; E409-L412 PolarHBondContact O-N 2.91Å
413T75Confident76.7Confident101 Ų10169 Ų6962%0.6237%0.372SS*.SBendtrans-88.7106.6175.555.70000109.4
414E61.8Low76.9Confident164 Ų16467.5 Ų67.577%0.76637%0.365SS*.THydrogen-bonded Turntrans-80.1106.7164.9-63.5-163.6155.600107.1
415P52.7Low77.1Confident112 Ų11261.5 Ų61.573%0.72733%0.333SS*.THydrogen-bonded Turn-157.841.482.140-16.7000116.4
416S48.5Very low77.2Confident45 Ų4557.8 Ų57.832%0.31531%0.314SS..SBendtrans-88.4-31.3176.663.40000113.7D418 R421S416-D418 VanDerWaalsContact C-N 3.32Å; S416-D418 PolarHBondContact O-N 2.81Å; S416-R421 PolarHBondContact O-NH2 2.86Å
417A48.2Very low77.1Confident40 Ų4058.6 Ų58.633%0.33132%0.318SS..  trans-93.545.2-179.600000112.6I399 S419I399-A417 HydrophobicContact CD1-CB 4.2Å; A417-S419 PolarHBondContact O-N 3.35Å
418D49Very low77.1Confident91 Ų9155.3 Ų55.349%0.48731%0.305SS..  trans-59.1114.1172.9-162.89.3000108.2S416 S420 R421S416-D418 VanDerWaalsContact C-N 3.32Å; S416-D418 PolarHBondContact O-N 2.81Å; D418-S420 PolarHBondContact O-N 2.85Å; D418-S420 PolarHBondContact OD2-OG 3.01Å; D418-R421 PolarHBondContact O-N 3.19Å
419S52.5Low76.9Confident91 Ų9155.3 Ų55.364%0.63631%0.306SS*.G310 helixtrans-57.3-17.9-177.3620000112.4A417 R421 F422A417-S419 PolarHBondContact O-N 3.35Å; S419-R421 PolarHBondContact O-N 2.77Å; S419-F422 PolarHBondContact O-N 2.98Å
420S54.5Low76.9Confident62 Ų6254.1 Ų54.143%0.43431%0.307SS..G310 helixtrans-57-27.617170.70000113.6D418D418-S420 PolarHBondContact O-N 2.85Å; D418-S420 PolarHBondContact OD2-OG 3.01Å
421R70.3Confident77Confident120 Ų12054.9 Ų54.945%0.45332%0.317SS..G310 helixtrans-960.1-177.6-63.2-166.9-72.1-164.2-2.8114.5A94 S416 D418 S419 Q423A94-R421 WeakPolarHBondContact CB-O 3.45Å; S416-R421 PolarHBondContact O-NH2 2.86Å; D418-R421 PolarHBondContact O-N 3.19Å; S419-R421 PolarHBondContact O-N 2.77Å; R421-Q423 HydrophobicContact CB-CG 4.24Å; R421-Q423 PolarHBondContact O-N 3.48Å
422F88.2Confident77.2Confident18 Ų1856.2 Ų56.28%0.07932%0.321CS..  trans56.219175.7-73.5-110.5000115.4I97 R98 L101 L102 S419 Y424 V425I97-F422 HydrophobicContact CD1-CB 4.28Å; I97-F422 HydrophobicContact CD1-CD1 4.48Å; I97-F422 HydrophobicContact CG1-CB 4.14Å; I97-F422 HydrophobicContact CG1-CD1 4.43Å; R98-F422 HydrophobicContact CB-CB 3.95Å; R98-F422 HydrophobicContact CB-CD1 4.06Å; R98-F422 HydrophobicContact CB-CD2 3.64Å; R98-F422 HydrophobicContact CB-CE1 4.49Å; R98-F422 HydrophobicContact CB-CE2 4.14Å; R98-F422 HydrophobicContact CB-CG 3.61Å; R98-F422 HydrophobicContact CG-CD1 4.48Å; R98-F422 HydrophobicContact CG-CD2 3.41Å; R98-F422 VanDerWaalsContact CG-CD2 3.41Å; R98-F422 HydrophobicContact CG-CE2 3.54Å; R98-F422 HydrophobicContact CG-CG 3.94Å; R98-F422 HydrophobicContact CG-CZ 4.12Å; L101-F422 HydrophobicContact CB-CE1 3.86Å; L101-F422 HydrophobicContact CD1-CD1 3.87Å; L101-F422 HydrophobicContact CD1-CE1 3.77Å; L101-F422 HydrophobicContact CG-CE1 4.46Å; L102-F422 HydrophobicContact CD1-CE2 4.22Å; L102-F422 HydrophobicContact CD1-CZ 4.23Å; L102-F422 HydrophobicContact CD2-CZ 3.87Å; L102-F422 HydrophobicContact CG-CE2 4.34Å; L102-F422 HydrophobicContact CG-CZ 3.85Å; S419-F422 PolarHBondContact O-N 2.98Å; F422-Y424 VanDerWaalsContact C-N 3.32Å; F422-V425 HydrophobicContact CB-CG1 4.05Å; F422-V425 HydrophobicContact CD1-CG1 3.85Å; F422-V425 HydrophobicContact CG-CG1 4.19Å
423Q89.4Confident77.5Confident29 Ų2955.6 Ų55.614%0.13632%0.317CS..SBendtrans-76-22.9176.3-63.4-166.241.600112.5A94 A397 I399 R421A94-Q423 HydrophobicContact CB-CB 4.47Å; A94-Q423 HydrophobicContact CB-CG 3.64Å; A397-Q423 HydrophobicContact CB-CB 4.12Å; I399-Q423 HydrophobicContact CD1-CB 3.51Å; I399-Q423 HydrophobicContact CD1-CG 4.43Å; I399-Q423 HydrophobicContact CG1-CB 4.05Å; R421-Q423 HydrophobicContact CB-CG 4.24Å; R421-Q423 PolarHBondContact O-N 3.48Å
424Y92.1Very high78.5Confident35 Ų3553.6 Ų53.614%0.13731%0.306CS..  trans-132.3106.4175.8-177.5-109.9000110K353 R357 H394 F400 F411 F422 P426K353-Y424 WeakPolarHBondContact CA-OH 3.41Å; K353-Y424 HydrophobicContact CG-CE1 4.3Å; K353-Y424 PolarHBondContact O-OH 2.75Å; R357-Y424 HydrophobicContact CB-CD2 4.33Å; R357-Y424 HydrophobicContact CB-CE2 3.86Å; R357-Y424 HydrophobicContact CG-CD2 4.41Å; R357-Y424 HydrophobicContact CG-CE2 4.44Å; H394-Y424 AromaticContact NE2-CD2 3.96Å; F400-Y424 AromaticContact CZ-CD2 3.97Å; F400-Y424 HydrophobicContact CZ-CD2 3.97Å; F400-Y424 HydrophobicContact CZ-CG 4.34Å; F411-Y424 HydrophobicContact CE1-CD2 4.4Å; F411-Y424 HydrophobicContact CE1-CE2 4.42Å; F411-Y424 HydrophobicContact CE1-CG 4.48Å; F411-Y424 HydrophobicContact CZ-CD2 4.29Å; F411-Y424 HydrophobicContact CZ-CE2 4.09Å; F422-Y424 VanDerWaalsContact C-N 3.32Å; Y424-P426 HydrophobicContact CD1-CG 4.31Å; Y424-P426 HydrophobicContact CE1-CG 3.67Å; Y424-P426 HydrophobicContact CE2-CG 3.98Å; Y424-P426 VanDerWaalsContact CZ-CG 3.48Å; Y424-P426 WeakPolarHBondContact OH-CG 3.18Å
425V94.3Very high80.1Confident7 Ų747 Ų474%0.04228%0.277CS..  trans-137.347.9-171.6-67.50000112.9I97 I390 H394 F422 F427 G428I97-V425 HydrophobicContact CD1-CB 4.42Å; I97-V425 HydrophobicContact CD1-CG1 4.25Å; I97-V425 HydrophobicContact CD1-CG2 3.43Å; I97-V425 VanDerWaalsContact CD1-CG2 3.43Å; I390-V425 HydrophobicContact CG1-CG2 4.21Å; I390-V425 HydrophobicContact CG2-CG2 4.35Å; H394-V425 PolarHBondContact NE2-N 3.46Å; F422-V425 HydrophobicContact CB-CG1 4.05Å; F422-V425 HydrophobicContact CD1-CG1 3.85Å; F422-V425 HydrophobicContact CG-CG1 4.19Å; V425-F427 PolarHBondContact O-N 2.87Å; V425-G428 PolarHBondContact O-N 3.12Å
426P95Very high82.2Confident15 Ų1542.3 Ų42.310%0.09725%0.25CC..THydrogen-bonded Turntrans-60.9-22.2-177.730.6-41000113.6L356 Y424L356-P426 HydrophobicContact CB-CB 3.79Å; L356-P426 HydrophobicContact CB-CG 4.35Å; L356-P426 HydrophobicContact CD1-CB 4.34Å; L356-P426 HydrophobicContact CD1-CG 4.46Å; L356-P426 HydrophobicContact CG-CB 4.49Å; Y424-P426 HydrophobicContact CD1-CG 4.31Å; Y424-P426 HydrophobicContact CE1-CG 3.67Å; Y424-P426 HydrophobicContact CE2-CG 3.98Å; Y424-P426 VanDerWaalsContact CZ-CG 3.48Å; Y424-P426 WeakPolarHBondContact OH-CG 3.18Å
427F95.6Very high84.4Confident40 Ų4043 Ų4318%0.17525%0.247CC..THydrogen-bonded Turntrans-104.814.8178-62.5-73.5000112.8L356 V425 C434 K437 A440L356-F427 HydrophobicContact CD1-CE2 3.79Å; L356-F427 HydrophobicContact CD1-CZ 3.67Å; V425-F427 PolarHBondContact O-N 2.87Å; F427-C434 HydrophobicContact CB-CB 3.93Å; F427-C434 HydrophobicContact CD1-CB 4.08Å; F427-C434 HydrophobicContact CG-CB 4.48Å; F427-C434 PolarHBondContact O-N 3.07Å; F427-K437 HydrophobicContact CB-CB 4.47Å; F427-K437 HydrophobicContact CB-CD 4.26Å; F427-K437 HydrophobicContact CB-CG 4.34Å; F427-K437 HydrophobicContact CD1-CB 3.97Å; F427-K437 HydrophobicContact CD1-CG 4.01Å; F427-K437 HydrophobicContact CD2-CB 4.47Å; F427-K437 HydrophobicContact CD2-CD 3.94Å; F427-K437 HydrophobicContact CD2-CG 3.66Å; F427-K437 HydrophobicContact CE1-CB 4.32Å; F427-K437 HydrophobicContact CE1-CG 4.21Å; F427-K437 HydrophobicContact CE2-CG 3.89Å; F427-K437 HydrophobicContact CG-CB 4.05Å; F427-K437 HydrophobicContact CG-CD 4.09Å; F427-K437 HydrophobicContact CG-CG 3.73Å; F427-K437 HydrophobicContact CZ-CG 4.15Å; F427-A440 HydrophobicContact CE1-CB 4.34Å
428G94.1Very high86.7Confident9 Ų945 Ų459%0.09325%0.249CC..  trans68.6-154.8-170.900000112.7V425V425-G428 PolarHBondContact O-N 3.12Å
429G92.7Very high89Confident3 Ų341 Ų413%0.03123%0.227CC..  trans-162.5176.5-177.800000113.1M433G429-M433 PolarHBondContact O-N 2.93Å
430G92.1Very high91.1Very high26 Ų2637.1 Ų37.127%0.26820%0.201SC..G310 helixtrans64-152.6-179.800000113.8R432 M433G430-R432 PolarHBondContact O-N 3.07Å; G430-M433 WeakPolarHBondContact O-CB 3.44Å; G430-M433 PolarHBondContact O-N 3.46Å
431S92.4Very high93.1Very high45 Ų4537.1 Ų37.132%0.31519%0.193SC..G310 helixtrans-65-20.5-177.563.70000113.1E104 H133 K137E104-S431 WeakPolarHBondContact CB-OG 3.29Å; E104-S431 VanDerWaalsContact CG-OG 3.25Å; E104-S431 WeakPolarHBondContact CG-OG 3.46Å; H133-S431 PolarHBondContact CE1-O 2.88Å; K137-S431 PolarHBondContact NZ-O 3.31Å
432R94.6Very high94.4Very high40 Ų4032.1 Ų32.115%0.15118%0.176CC..G310 helixtrans-97.510.5178.8-60.7-62.9-171.7166.24.4114.3E104 L125 M128 H129 H133 G430 C434E104-R432 HydrophobicContact CG-CG 4.03Å; E104-R432 IonicContact OE1-CZ 3.39Å; E104-R432 IonicContact OE1-NE 3.58Å; E104-R432 PolarHBondContact OE1-NE 3.39Å; E104-R432 IonicContact OE1-NH2 2.87Å; E104-R432 PolarHBondContact OE1-NH2 2.87Å; L125-R432 PolarHBondContact O-NH1 3.24Å; L125-R432 VanDerWaalsContact O-NH1 3.07Å; M128-R432 VanDerWaalsContact O-CZ 3.24Å; M128-R432 PolarHBondContact O-NH1 3.36Å; M128-R432 PolarHBondContact O-NH2 3.11Å; H129-R432 PolarHBondContact CE1-NH2 3.31Å; H129-R432 PolarHBondContact ND1-NH2 3.42Å; H133-R432 PolarHBondContact CD2-NH1 3.45Å; H133-R432 PolarHBondContact NE2-NH1 2.85Å; H133-R432 VanDerWaalsContact NE2-NH1 3.12Å; G430-R432 PolarHBondContact O-N 3.07Å; R432-C434 PolarHBondContact O-N 3.44Å
433M94.9Very high94.9Very high75 Ų7531.4 Ų31.437%0.36917%0.173SC..  trans-54.8137.2173.1-174.1-177.9-66.900110.8K137 G429 G430 V435K137-M433 PolarHBondContact NZ-O 2.81Å; K137-M433 VanDerWaalsContact NZ-O 3.08Å; G429-M433 PolarHBondContact O-N 2.93Å; G430-M433 WeakPolarHBondContact O-CB 3.44Å; G430-M433 PolarHBondContact O-N 3.46Å; M433-V435 PolarHBondContact O-N 3.48Å
434C96.5Very high95.3Very high58 Ų5830.1 Ų30.139%0.39217%0.168SC..  trans-49.7128.1-178.3-176.70000112F427 R432 K437F427-C434 HydrophobicContact CB-CB 3.93Å; F427-C434 HydrophobicContact CD1-CB 4.08Å; F427-C434 HydrophobicContact CG-CB 4.48Å; F427-C434 PolarHBondContact O-N 3.07Å; R432-C434 PolarHBondContact O-N 3.44Å; C434-K437 HydrophobicContact CB-CB 4.49Å
435V95.3Very high95.5Very high26 Ų2629.3 Ų29.316%0.15817%0.165CC..THydrogen-bonded Turntrans-77.3-29.4178.2-66.80000112.9L125 K137 I140 L141 F144 M433 K437L125-V435 HydrophobicContact CD2-CG1 3.89Å; L125-V435 HydrophobicContact CD2-CG2 4.33Å; K137-V435 HydrophobicContact CD-CG1 4.28Å; K137-V435 HydrophobicContact CG-CG1 3.73Å; I140-V435 HydrophobicContact CG2-CB 4.17Å; I140-V435 HydrophobicContact CG2-CG2 3.77Å; L141-V435 HydrophobicContact CD2-CB 3.95Å; L141-V435 HydrophobicContact CD2-CG1 4.02Å; L141-V435 HydrophobicContact CG-CB 4.45Å; L141-V435 HydrophobicContact CG-CG1 4.15Å; F144-V435 HydrophobicContact CE2-CG2 4.31Å; M433-V435 PolarHBondContact O-N 3.48Å; V435-K437 VanDerWaalsContact C-N 3.31Å; V435-K437 PolarHBondContact O-N 2.94Å
436G95.4Very high95.6Very high14 Ų1429 Ų2914%0.14416%0.163CC..THydrogen-bonded Turntrans-89.514.3179.700000114.3E438 F439 A440G436-E438 PolarHBondContact O-N 3.11Å; G436-F439 WeakPolarHBondContact O-CB 3.25Å; G436-F439 PolarHBondContact O-N 3.16Å; G436-A440 WeakPolarHBondContact O-CB 3.41Å; G436-A440 PolarHBondContact O-N 3.45Å
437K96.1Very high95.8Very high59 Ų5928.3 Ų28.326%0.25716%0.158SC..Hα-helixtrans-55.1-48.2-176.1170-174.8170.8-153.30112.6F427 C434 V435 K441F427-K437 HydrophobicContact CB-CB 4.47Å; F427-K437 HydrophobicContact CB-CD 4.26Å; F427-K437 HydrophobicContact CB-CG 4.34Å; F427-K437 HydrophobicContact CD1-CB 3.97Å; F427-K437 HydrophobicContact CD1-CG 4.01Å; F427-K437 HydrophobicContact CD2-CB 4.47Å; F427-K437 HydrophobicContact CD2-CD 3.94Å; F427-K437 HydrophobicContact CD2-CG 3.66Å; F427-K437 HydrophobicContact CE1-CB 4.32Å; F427-K437 HydrophobicContact CE1-CG 4.21Å; F427-K437 HydrophobicContact CE2-CG 3.89Å; F427-K437 HydrophobicContact CG-CB 4.05Å; F427-K437 HydrophobicContact CG-CD 4.09Å; F427-K437 HydrophobicContact CG-CG 3.73Å; F427-K437 HydrophobicContact CZ-CG 4.15Å; C434-K437 HydrophobicContact CB-CB 4.49Å; V435-K437 VanDerWaalsContact C-N 3.31Å; V435-K437 PolarHBondContact O-N 2.94Å; K437-K441 WeakPolarHBondContact O-CG 3.29Å; K437-K441 PolarHBondContact O-N 3.5Å
438E95.8Very high95.8Very high81 Ų8126.6 Ų26.638%0.37915%0.151SC..Hα-helixtrans-74.1-36.7-176.3-57.3-51.6136.300111.2L149 G436 A440 K441 V442L149-E438 HydrophobicContact CD1-CB 3.89Å; G436-E438 PolarHBondContact O-N 3.11Å; E438-A440 PolarHBondContact O-N 3.36Å; E438-K441 VanDerWaalsContact CD-NZ 3.25Å; E438-K441 PolarHBondContact O-N 3.45Å; E438-K441 IonicContact OE1-NZ 3.71Å; E438-K441 PolarHBondContact OE1-NZ 3.46Å; E438-K441 VanDerWaalsContact OE2-CD 3.31Å; E438-K441 WeakPolarHBondContact OE2-CD 3.25Å; E438-K441 IonicContact OE2-NZ 3.72Å; E438-K441 PolarHBondContact OE2-NZ 2.64Å; E438-V442 WeakPolarHBondContact O-CG2 3.33Å; E438-V442 PolarHBondContact O-N 3.23Å
439F96.4Very high95.8Very high7 Ų726.2 Ų26.23%0.03115%0.147CC..Hα-helixtrans-55.2-51.1169.1173.2-103.2000112.4F144 L149 Y152 I156 I187 I191 G436 K441 V442 L443F144-F439 HydrophobicContact CD1-CB 3.69Å; F144-F439 HydrophobicContact CD1-CG 4.23Å; F144-F439 HydrophobicContact CE1-CB 3.96Å; F144-F439 HydrophobicContact CE1-CD1 4.49Å; F144-F439 HydrophobicContact CE1-CG 4.08Å; L149-F439 HydrophobicContact CD2-CB 3.76Å; L149-F439 HydrophobicContact CD2-CD2 3.95Å; L149-F439 HydrophobicContact CD2-CG 4.38Å; Y152-F439 HydrophobicContact CD2-CD2 4.18Å; Y152-F439 HydrophobicContact CD2-CE2 4.35Å; I156-F439 HydrophobicContact CD1-CE2 4.12Å; I187-F439 HydrophobicContact CG2-CZ 4.3Å; I191-F439 HydrophobicContact CD1-CE2 4.11Å; I191-F439 HydrophobicContact CD1-CZ 4.46Å; I191-F439 HydrophobicContact CG2-CE2 3.89Å; I191-F439 HydrophobicContact CG2-CZ 4.46Å; G436-F439 WeakPolarHBondContact O-CB 3.25Å; G436-F439 PolarHBondContact O-N 3.16Å; F439-K441 VanDerWaalsContact C-N 3.29Å; F439-K441 PolarHBondContact O-N 3.37Å; F439-V442 PolarHBondContact O-N 2.79Å; F439-L443 HydrophobicContact CE1-CD1 4.38Å; F439-L443 HydrophobicContact CZ-CD1 3.99Å; F439-L443 VanDerWaalsContact O-CB 3.29Å; F439-L443 WeakPolarHBondContact O-CB 3.17Å; F439-L443 PolarHBondContact O-N 3.44Å
440A97.6Very high95.9Very high11 Ų1126.2 Ų26.29%0.09115%0.146CC..Hα-helixtrans-59.3-39.6179.800000112T299 F427 G436 E438 L444T299-A440 HydrophobicContact CG2-CB 4.21Å; F427-A440 HydrophobicContact CE1-CB 4.34Å; G436-A440 WeakPolarHBondContact O-CB 3.41Å; G436-A440 PolarHBondContact O-N 3.45Å; E438-A440 PolarHBondContact O-N 3.36Å; A440-L444 VanDerWaalsContact O-CB 3.28Å; A440-L444 WeakPolarHBondContact O-CB 3.31Å; A440-L444 WeakPolarHBondContact O-CD1 3.44Å; A440-L444 WeakPolarHBondContact O-CG 3.27Å; A440-L444 PolarHBondContact O-N 3.14Å
441K97.4Very high96Very high61 Ų6125 Ų2527%0.26513%0.133SC..Hα-helixtrans-65.9-46.6176.9-70.7168.9177.8175.50112.5K437 E438 F439 L443 L444 K445K437-K441 WeakPolarHBondContact O-CG 3.29Å; K437-K441 PolarHBondContact O-N 3.5Å; E438-K441 VanDerWaalsContact CD-NZ 3.25Å; E438-K441 PolarHBondContact O-N 3.45Å; E438-K441 IonicContact OE1-NZ 3.71Å; E438-K441 PolarHBondContact OE1-NZ 3.46Å; E438-K441 VanDerWaalsContact OE2-CD 3.31Å; E438-K441 WeakPolarHBondContact OE2-CD 3.25Å; E438-K441 IonicContact OE2-NZ 3.72Å; E438-K441 PolarHBondContact OE2-NZ 2.64Å; F439-K441 VanDerWaalsContact C-N 3.29Å; F439-K441 PolarHBondContact O-N 3.37Å; K441-L443 VanDerWaalsContact C-N 3.35Å; K441-L444 PolarHBondContact O-N 3.28Å; K441-K445 WeakPolarHBondContact O-CB 3.49Å; K441-K445 VanDerWaalsContact O-CG 3.31Å; K441-K445 WeakPolarHBondContact O-CG 3.36Å; K441-K445 PolarHBondContact O-N 3.12Å
442V97.2Very high96.1Very high16 Ų1622.9 Ų22.910%0.09712%0.119CC..Hα-helixtrans-58.6-50.9178.3166.30000109.7L149 I153 I156 L342 E438 F439 L444 K445 I446L149-V442 HydrophobicContact CD1-CG2 4.33Å; I153-V442 HydrophobicContact CD1-CG1 4.36Å; I153-V442 HydrophobicContact CG1-CG1 3.9Å; I156-V442 HydrophobicContact CD1-CG1 4.33Å; L342-V442 HydrophobicContact CD1-CG1 3.88Å; E438-V442 WeakPolarHBondContact O-CG2 3.33Å; E438-V442 PolarHBondContact O-N 3.23Å; F439-V442 PolarHBondContact O-N 2.79Å; V442-L444 PolarHBondContact O-N 3.03Å; V442-K445 PolarHBondContact O-N 2.93Å; V442-I446 HydrophobicContact CG1-CD1 3.84Å; V442-I446 WeakPolarHBondContact O-CG1 3.45Å; V442-I446 PolarHBondContact O-N 3.01Å
443L97.6Very high96Very high2 Ų222.3 Ų22.31%0.0112%0.12CC..Hα-helixtrans-57.3-50.6178.2174.3118.3000112.8I156 M184 I187 T299 F439 K441 K445 I446 F447I156-L443 HydrophobicContact CD1-CB 4.16Å; I156-L443 HydrophobicContact CD1-CD1 4.23Å; I156-L443 HydrophobicContact CG1-CD1 4.21Å; I156-L443 HydrophobicContact CG2-CD1 4.07Å; I156-L443 HydrophobicContact CG2-CG 4.39Å; M184-L443 HydrophobicContact CE-CD2 4.09Å; M184-L443 HydrophobicContact SD-CD1 4.26Å; M184-L443 HydrophobicContact SD-CD2 3.65Å; M184-L443 HydrophobicContact SD-CG 4.35Å; I187-L443 HydrophobicContact CB-CD1 4.35Å; I187-L443 HydrophobicContact CD1-CD1 3.81Å; I187-L443 HydrophobicContact CG2-CD1 3.54Å; T299-L443 HydrophobicContact CG2-CD2 3.7Å; F439-L443 HydrophobicContact CE1-CD1 4.38Å; F439-L443 HydrophobicContact CZ-CD1 3.99Å; F439-L443 VanDerWaalsContact O-CB 3.29Å; F439-L443 WeakPolarHBondContact O-CB 3.17Å; F439-L443 PolarHBondContact O-N 3.44Å; K441-L443 VanDerWaalsContact C-N 3.35Å; L443-K445 VanDerWaalsContact C-N 3.3Å; L443-K445 PolarHBondContact O-N 3.41Å; L443-I446 PolarHBondContact O-N 3.39Å; L443-F447 WeakPolarHBondContact O-CB 3.27Å; L443-F447 PolarHBondContact O-N 2.84Å
444L98.4Very high95.8Very high3 Ų322.6 Ų22.62%0.01612%0.119CC..Hα-helixtrans-66.1-31.8-179.7-69167.8000112.4T302 A303 L306 I352 A440 K441 V442 L448T302-L444 HydrophobicContact CG2-CD1 3.54Å; T302-L444 HydrophobicContact CG2-CD2 4Å; T302-L444 HydrophobicContact CG2-CG 4.43Å; A303-L444 HydrophobicContact CB-CD2 4.1Å; L306-L444 HydrophobicContact CD1-CB 4.43Å; L306-L444 HydrophobicContact CD1-CD2 3.98Å; I352-L444 HydrophobicContact CD1-CB 3.89Å; I352-L444 HydrophobicContact CG1-CB 4.36Å; I352-L444 HydrophobicContact CG2-CD1 4.12Å; A440-L444 VanDerWaalsContact O-CB 3.28Å; A440-L444 WeakPolarHBondContact O-CB 3.31Å; A440-L444 WeakPolarHBondContact O-CD1 3.44Å; A440-L444 WeakPolarHBondContact O-CG 3.27Å; A440-L444 PolarHBondContact O-N 3.14Å; K441-L444 PolarHBondContact O-N 3.28Å; V442-L444 PolarHBondContact O-N 3.03Å; L444-L448 WeakPolarHBondContact O-CB 3.29Å; L444-L448 WeakPolarHBondContact O-CG 3.13Å; L444-L448 PolarHBondContact O-N 3.28Å
445K97.1Very high95.6Very high18 Ų1819.8 Ų19.88%0.07810%0.1CC..Hα-helixtrans-66.3-49.9173-76.8-175.3172.9-168.70111.2L342 L345 T348 S349 I352 K441 V442 L443 F447 L448 V449L342-K445 HydrophobicContact CB-CD 4.17Å; L342-K445 HydrophobicContact CD2-CB 3.95Å; L342-K445 PolarHBondContact O-NZ 3.45Å; L345-K445 PolarHBondContact O-NZ 3.4Å; T348-K445 HydrophobicContact CG2-CB 4.5Å; T348-K445 HydrophobicContact CG2-CG 4.06Å; S349-K445 WeakPolarHBondContact OG-CE 3.47Å; S349-K445 PolarHBondContact OG-NZ 3.17Å; I352-K445 HydrophobicContact CD1-CB 4.42Å; I352-K445 HydrophobicContact CD1-CG 3.57Å; K441-K445 WeakPolarHBondContact O-CB 3.49Å; K441-K445 VanDerWaalsContact O-CG 3.31Å; K441-K445 WeakPolarHBondContact O-CG 3.36Å; K441-K445 PolarHBondContact O-N 3.12Å; V442-K445 PolarHBondContact O-N 2.93Å; L443-K445 VanDerWaalsContact C-N 3.3Å; L443-K445 PolarHBondContact O-N 3.41Å; K445-F447 VanDerWaalsContact C-N 3.28Å; K445-F447 PolarHBondContact O-N 3.39Å; K445-L448 PolarHBondContact O-N 2.84Å; K445-L448 VanDerWaalsContact O-N 3.15Å; K445-V449 VanDerWaalsContact O-CG2 3.24Å; K445-V449 WeakPolarHBondContact O-CG2 3.35Å; K445-V449 PolarHBondContact O-N 3.02Å
446I96.5Very high95.6Very high1 Ų121.3 Ų21.31%0.00511%0.107CC..Hα-helixtrans-57.5-46178.1-67.3164.4000110.3I153 I156 Q157 L337 L342 V442 L443 L448 V449 E450I153-I446 HydrophobicContact CB-CD1 4.27Å; I153-I446 HydrophobicContact CG1-CD1 4.06Å; I153-I446 HydrophobicContact CG2-CD1 3.93Å; I156-I446 HydrophobicContact CB-CD1 3.97Å; I156-I446 HydrophobicContact CD1-CD1 4.14Å; I156-I446 HydrophobicContact CG2-CB 3.97Å; I156-I446 HydrophobicContact CG2-CD1 3.82Å; I156-I446 HydrophobicContact CG2-CG2 3.8Å; Q157-I446 HydrophobicContact CB-CG2 4.49Å; Q157-I446 HydrophobicContact CG-CD1 4.44Å; Q157-I446 HydrophobicContact CG-CG2 3.65Å; L337-I446 HydrophobicContact CD1-CG1 4.37Å; L342-I446 HydrophobicContact CD1-CD1 4.17Å; L342-I446 HydrophobicContact CD1-CG1 3.94Å; L342-I446 HydrophobicContact CD2-CG1 4.11Å; V442-I446 HydrophobicContact CG1-CD1 3.84Å; V442-I446 WeakPolarHBondContact O-CG1 3.45Å; V442-I446 PolarHBondContact O-N 3.01Å; L443-I446 PolarHBondContact O-N 3.39Å; I446-L448 PolarHBondContact O-N 3.42Å; I446-V449 PolarHBondContact O-N 2.91Å; I446-E450 PolarHBondContact O-N 3.35Å
447F97.6Very high95.6Very high0 Ų021.7 Ų21.70%010%0.104CC..Hα-helixtrans-55.4-49.7174.7172.5-105.6000112.7V160 W167 M180 L183 A303 I307 L443 K445 E450 V451V160-F447 HydrophobicContact CG1-CD2 4.36Å; V160-F447 HydrophobicContact CG2-CB 4.48Å; W167-F447 AromaticContact CH2-CE2 3.9Å; W167-F447 HydrophobicContact CH2-CE2 3.9Å; W167-F447 HydrophobicContact CZ3-CE2 4.12Å; M180-F447 HydrophobicContact CE-CE2 3.98Å; M180-F447 HydrophobicContact CE-CZ 4.03Å; M180-F447 HydrophobicContact SD-CE1 4.39Å; M180-F447 HydrophobicContact SD-CE2 3.71Å; M180-F447 HydrophobicContact SD-CZ 3.53Å; M180-F447 VanDerWaalsContact SD-CZ 3.53Å; L183-F447 HydrophobicContact CD2-CD2 4.29Å; L183-F447 HydrophobicContact CD2-CE2 4.4Å; A303-F447 HydrophobicContact CB-CD1 4.01Å; A303-F447 HydrophobicContact CB-CE1 3.74Å; A303-F447 HydrophobicContact CB-CZ 4.14Å; I307-F447 HydrophobicContact CD1-CE1 4.17Å; I307-F447 HydrophobicContact CD1-CZ 3.81Å; I307-F447 HydrophobicContact CG1-CE1 4.24Å; I307-F447 HydrophobicContact CG1-CZ 3.9Å; L443-F447 WeakPolarHBondContact O-CB 3.27Å; L443-F447 PolarHBondContact O-N 2.84Å; K445-F447 VanDerWaalsContact C-N 3.28Å; K445-F447 PolarHBondContact O-N 3.39Å; F447-E450 PolarHBondContact O-N 3.44Å; F447-V451 HydrophobicContact CD2-CG2 4.06Å; F447-V451 HydrophobicContact CE1-CG2 4.38Å; F447-V451 HydrophobicContact CE2-CG2 3.6Å; F447-V451 HydrophobicContact CZ-CG2 3.8Å; F447-V451 WeakPolarHBondContact O-CG2 3.21Å; F447-V451 PolarHBondContact O-N 2.93Å
448L96.4Very high95.6Very high3 Ų323.4 Ų23.42%0.01612%0.12CC..Hα-helixtrans-62.9-42.9178.4-79.9179.2000112.7L306 L310 T348 V351 I352 L444 K445 I446 V451 V452L306-L448 HydrophobicContact CB-CD2 4.05Å; L306-L448 HydrophobicContact CD1-CD1 4Å; L306-L448 HydrophobicContact CD1-CD2 3.97Å; L306-L448 HydrophobicContact CD1-CG 3.89Å; L306-L448 HydrophobicContact CD2-CD1 3.95Å; L306-L448 HydrophobicContact CD2-CD2 4.1Å; L306-L448 HydrophobicContact CD2-CG 4.42Å; L306-L448 HydrophobicContact CG-CD2 4.26Å; L310-L448 HydrophobicContact CD1-CD2 3.56Å; T348-L448 HydrophobicContact CG2-CB 4.23Å; T348-L448 HydrophobicContact CG2-CD1 3.89Å; V351-L448 HydrophobicContact CG1-CD1 4.24Å; I352-L448 HydrophobicContact CD1-CD1 3.96Å; I352-L448 HydrophobicContact CG1-CD1 3.56Å; L444-L448 WeakPolarHBondContact O-CB 3.29Å; L444-L448 WeakPolarHBondContact O-CG 3.13Å; L444-L448 PolarHBondContact O-N 3.28Å; K445-L448 PolarHBondContact O-N 2.84Å; K445-L448 VanDerWaalsContact O-N 3.15Å; I446-L448 PolarHBondContact O-N 3.42Å; L448-V451 PolarHBondContact O-N 2.92Å; L448-V452 VanDerWaalsContact O-CB 3.24Å; L448-V452 WeakPolarHBondContact O-CB 3.36Å; L448-V452 VanDerWaalsContact O-CG2 3.29Å; L448-V452 WeakPolarHBondContact O-CG2 3.49Å; L448-V452 PolarHBondContact O-N 2.78Å
449V94.9Very high95.6Very high2 Ų220.2 Ų20.21%0.01211%0.105CC..Hα-helixtrans-60.6-47.5179.41740000110.1L324 L334 L337 L345 K445 I446 T453L324-V449 HydrophobicContact CD1-CG1 4.43Å; L324-V449 HydrophobicContact CD2-CG1 4.2Å; L324-V449 HydrophobicContact CD2-CG2 3.96Å; L334-V449 HydrophobicContact CD2-CG1 3.52Å; L337-V449 HydrophobicContact CD1-CB 4.49Å; L337-V449 HydrophobicContact CD1-CG1 4.13Å; L345-V449 HydrophobicContact CD1-CG2 3.6Å; K445-V449 VanDerWaalsContact O-CG2 3.24Å; K445-V449 WeakPolarHBondContact O-CG2 3.35Å; K445-V449 PolarHBondContact O-N 3.02Å; I446-V449 PolarHBondContact O-N 2.91Å; V449-T453 HydrophobicContact CG1-CG2 4.45Å; V449-T453 WeakPolarHBondContact O-CB 3.44Å; V449-T453 WeakPolarHBondContact O-CG2 3.44Å; V449-T453 PolarHBondContact O-N 3.47Å; V449-T453 VanDerWaalsContact O-N 3.12Å; V449-T453 PolarHBondContact O-OG1 3.22Å
450E94.1Very high95.6Very high3 Ų324.2 Ų24.21%0.01413%0.126CC..Hα-helixtrans-60.2-52.9176.9-170.380-160.400111.3V160 H161 V164 L334 I446 F447 V452 T453 K454V160-E450 HydrophobicContact CG1-CB 3.47Å; V160-E450 VanDerWaalsContact CG1-CB 3.47Å; V160-E450 HydrophobicContact CG1-CG 3.77Å; H161-E450 IonicContact CE1-OE1 3.06Å; H161-E450 IonicContact CG-OE1 2.74Å; H161-E450 IonicContact ND1-OE1 2.72Å; H161-E450 PolarHBondContact ND1-OE1 3.48Å; V164-E450 HydrophobicContact CB-CG 3.89Å; V164-E450 HydrophobicContact CG1-CG 4.08Å; V164-E450 HydrophobicContact CG2-CB 4.38Å; V164-E450 HydrophobicContact CG2-CG 3.7Å; L334-E450 VanDerWaalsContact CD1-CD 3.43Å; L334-E450 WeakPolarHBondContact CD1-OE2 3.3Å; I446-E450 PolarHBondContact O-N 3.35Å; F447-E450 PolarHBondContact O-N 3.44Å; E450-V452 PolarHBondContact O-N 3.23Å; E450-T453 PolarHBondContact O-N 2.86Å; E450-T453 PolarHBondContact O-OG1 2.94Å; E450-T453 VanDerWaalsContact O-OG1 3.1Å; E450-K454 HydrophobicContact CG-CG 4.43Å; E450-K454 WeakPolarHBondContact O-CB 3.47Å; E450-K454 VanDerWaalsContact O-CG 3.29Å; E450-K454 WeakPolarHBondContact O-CG 3.25Å; E450-K454 PolarHBondContact O-N 3.25Å
451V95.1Very high95.5Very high0 Ų028.7 Ų28.70%015%0.149CC..Hα-helixtrans-62.4-46-174.4170.60000111.4V164 W167 I307 F447 L448 T453 K454 C455 W457V164-V451 HydrophobicContact CG2-CG2 3.85Å; W167-V451 HydrophobicContact CZ3-CG2 4.18Å; I307-V451 HydrophobicContact CD1-CG1 3.73Å; I307-V451 HydrophobicContact CD1-CG2 4.34Å; F447-V451 HydrophobicContact CD2-CG2 4.06Å; F447-V451 HydrophobicContact CE1-CG2 4.38Å; F447-V451 HydrophobicContact CE2-CG2 3.6Å; F447-V451 HydrophobicContact CZ-CG2 3.8Å; F447-V451 WeakPolarHBondContact O-CG2 3.21Å; F447-V451 PolarHBondContact O-N 2.93Å; L448-V451 PolarHBondContact O-N 2.92Å; V451-T453 VanDerWaalsContact C-N 3.34Å; V451-T453 PolarHBondContact O-N 2.85Å; V451-K454 PolarHBondContact O-N 3.39Å; V451-C455 HydrophobicContact CG1-CB 4.49Å; V451-C455 WeakPolarHBondContact O-CA 3.24Å; V451-C455 VanDerWaalsContact O-CB 3.3Å; V451-C455 WeakPolarHBondContact O-CB 3.5Å; V451-C455 PolarHBondContact O-N 3.46Å; V451-W457 HydrophobicContact CG1-CE3 4.01Å; V451-W457 HydrophobicContact CG1-CH2 3.75Å; V451-W457 HydrophobicContact CG1-CZ2 4.41Å; V451-W457 HydrophobicContact CG1-CZ3 3.53Å
452V94.3Very high95.4Very high1 Ų127 Ų271%0.00615%0.148CC..Hα-helixtrans-71.1-30.7-175.8169.70000112.3L310 V317 L320 R321 L324 L448 E450 W457L310-V452 HydrophobicContact CD1-CG2 4.5Å; V317-V452 HydrophobicContact CG1-CG1 4.22Å; L320-V452 HydrophobicContact CB-CG1 3.92Å; L320-V452 HydrophobicContact CB-CG2 4.45Å; L320-V452 HydrophobicContact CD1-CG2 3.97Å; R321-V452 HydrophobicContact CB-CG1 4.44Å; R321-V452 HydrophobicContact CG-CG1 3.34Å; R321-V452 PolarHBondContact NE-O 2.96Å; R321-V452 PolarHBondContact NH2-O 3.22Å; L324-V452 HydrophobicContact CD1-CG1 4.43Å; L448-V452 VanDerWaalsContact O-CB 3.24Å; L448-V452 WeakPolarHBondContact O-CB 3.36Å; L448-V452 VanDerWaalsContact O-CG2 3.29Å; L448-V452 WeakPolarHBondContact O-CG2 3.49Å; L448-V452 PolarHBondContact O-N 2.78Å; E450-V452 PolarHBondContact O-N 3.23Å; V452-W457 HydrophobicContact CG2-CH2 4.21Å
453T90.8Very high95.3Very high28 Ų2830.9 Ų30.917%0.17217%0.174CC..Hα-helixtrans-81.9-25.6178.557.50000113.2L324 V449 E450 V451L324-T453 HydrophobicContact CD1-CG2 3.67Å; V449-T453 HydrophobicContact CG1-CG2 4.45Å; V449-T453 WeakPolarHBondContact O-CB 3.44Å; V449-T453 WeakPolarHBondContact O-CG2 3.44Å; V449-T453 PolarHBondContact O-N 3.47Å; V449-T453 VanDerWaalsContact O-N 3.12Å; V449-T453 PolarHBondContact O-OG1 3.22Å; E450-T453 PolarHBondContact O-N 2.86Å; E450-T453 PolarHBondContact O-OG1 2.94Å; E450-T453 VanDerWaalsContact O-OG1 3.1Å; V451-T453 VanDerWaalsContact C-N 3.34Å; V451-T453 PolarHBondContact O-N 2.85Å
454K91.4Very high95.2Very high80 Ų8031.7 Ų31.735%0.34818%0.18SC..Hα-helixtrans-107.1-24.6-174.7-58.5-58.5176.2-174.50114.7V164 L168 E450 V451 S484 Y485V164-K454 HydrophobicContact CG1-CB 4.04Å; L168-K454 HydrophobicContact CD1-CB 4.42Å; E450-K454 HydrophobicContact CG-CG 4.43Å; E450-K454 WeakPolarHBondContact O-CB 3.47Å; E450-K454 VanDerWaalsContact O-CG 3.29Å; E450-K454 WeakPolarHBondContact O-CG 3.25Å; E450-K454 PolarHBondContact O-N 3.25Å; V451-K454 PolarHBondContact O-N 3.39Å; K454-S484 WeakPolarHBondContact O-CA 3.38Å; K454-Y485 PolarHBondContact O-N 2.97Å
455C93.2Very high95Very high0 Ų036.3 Ų36.30%021%0.208CC..EExtended strand (participates in β ladder)trans-126.3141.6-168.9-55.20000112.7V164 R321 V451 W457 F482 S483V164-C455 VanDerWaalsContact CG1-SG 3.54Å; R321-C455 PolarHBondContact NH2-O 2.98Å; V451-C455 HydrophobicContact CG1-CB 4.49Å; V451-C455 WeakPolarHBondContact O-CA 3.24Å; V451-C455 VanDerWaalsContact O-CB 3.3Å; V451-C455 WeakPolarHBondContact O-CB 3.5Å; V451-C455 PolarHBondContact O-N 3.46Å; C455-W457 HydrophobicContact CB-CE3 4.15Å; C455-W457 WeakPolarHBondContact O-CZ3 3.44Å; C455-F482 HydrophobicContact CB-CD1 3.98Å; C455-S483 CarbonylContact C-O 3.55Å; C455-S483 VanDerWaalsContact CA-O 3.31Å; C455-S483 WeakPolarHBondContact CA-O 3.14Å
456D94.1Very high94.7Very high58 Ų5837.2 Ų37.231%0.3121%0.213SC..EExtended strand (participates in β ladder)trans-96.2156.9143.9-66-50.4000108.6R321 F482 S483 Y485R321-D456 IonicContact CZ-OD1 2.72Å; R321-D456 VanDerWaalsContact CZ-OD1 3.27Å; R321-D456 IonicContact NH1-OD1 2.66Å; R321-D456 PolarHBondContact NH1-OD1 3.18Å; R321-D456 IonicContact NH2-OD1 3.75Å; R321-D456 PolarHBondContact NH2-OD1 3.44Å; D456-F482 WeakPolarHBondContact O-CA 3.48Å; D456-S483 PolarHBondContact N-O 3.1Å; D456-S483 PolarHBondContact O-N 2.62Å; D456-Y485 WeakPolarHBondContact OD2-CD2 3.35Å
457W95.7Very high94.4Very high22 Ų2241.4 Ų41.48%0.08323%0.231CC..EExtended strand (participates in β ladder)trans-151.9158.5175.76498.4000113.2I307 L310 V317 V451 V452 C455 T480 K481 F482I307-W457 HydrophobicContact CD1-CZ2 4.44Å; I307-W457 PolarHBondContact O-NE1 3.44Å; L310-W457 HydrophobicContact CB-CH2 4.24Å; L310-W457 HydrophobicContact CB-CZ2 3.54Å; L310-W457 HydrophobicContact CD1-CH2 4.42Å; L310-W457 HydrophobicContact CD1-CZ2 4.31Å; V317-W457 HydrophobicContact CG2-CH2 4.05Å; V317-W457 HydrophobicContact CG2-CZ2 4.3Å; V451-W457 HydrophobicContact CG1-CE3 4.01Å; V451-W457 HydrophobicContact CG1-CH2 3.75Å; V451-W457 HydrophobicContact CG1-CZ2 4.41Å; V451-W457 HydrophobicContact CG1-CZ3 3.53Å; V452-W457 HydrophobicContact CG2-CH2 4.21Å; C455-W457 HydrophobicContact CB-CE3 4.15Å; C455-W457 WeakPolarHBondContact O-CZ3 3.44Å; W457-T480 HydrophobicContact CB-CG2 3.81Å; W457-T480 HydrophobicContact CG-CG2 4.17Å; W457-K481 CarbonylContact C-O 3.54Å; W457-K481 WeakPolarHBondContact CA-O 3.45Å; W457-K481 WeakPolarHBondContact CB-O 3.41Å; W457-F482 HydrophobicContact CB-CD1 3.66Å; W457-F482 HydrophobicContact CB-CE1 3.82Å; W457-F482 HydrophobicContact CB-CG 4.18Å; W457-F482 HydrophobicContact CB-CZ 4.47Å; W457-F482 HydrophobicContact CD2-CE1 4.31Å; W457-F482 HydrophobicContact CG-CD1 4.31Å; W457-F482 HydrophobicContact CG-CE1 4.03Å
458T95.7Very high93.8Very high94 Ų9442.3 Ų42.358%0.57724%0.236SC*.EExtended strand (participates in β ladder)trans-135.3130.6178.1-55.90000110.1L460 T480 K481T458-L460 PolarHBondContact O-N 3.12Å; T458-T480 WeakPolarHBondContact O-CA 3.25Å; T458-K481 PolarHBondContact N-O 3.35Å; T458-K481 PolarHBondContact O-N 3.21Å
459L97.2Very high92.6Very high15 Ų1543.7 Ų43.78%0.07925%0.252CS..EExtended strand (participates in β ladder)trans-75.8120.9174.4-52-174.7000109M308 L312 N461 L478 T480M308-L459 HydrophobicContact CG-CD1 4.38Å; L312-L459 HydrophobicContact CD1-CD1 4.46Å; L312-L459 HydrophobicContact CD2-CD1 3.82Å; L312-L459 HydrophobicContact CG-CD1 3.76Å; L459-N461 VanDerWaalsContact C-N 3.33Å; L459-N461 PolarHBondContact O-N 3.14Å; L459-L478 HydrophobicContact CD1-CD1 4.17Å; L459-L478 HydrophobicContact CD2-CD1 3.9Å; L459-L478 HydrophobicContact CD2-CD2 4.45Å; L459-L478 HydrophobicContact CD2-CG 4.17Å; L459-T480 HydrophobicContact CD2-CG2 4.15Å; L459-T480 WeakPolarHBondContact CD2-OG1 3.29Å
460L96.1Very high91.8Very high91 Ų9145.9 Ų45.948%0.47627%0.266SS..THydrogen-bonded Turntrans-72.3-27.3-171.9-63.4-179.9000113.4C173 T458 P479 K481C173-L460 HydrophobicContact CB-CD1 3.73Å; C173-L460 VanDerWaalsContact SG-CD1 3.52Å; T458-L460 PolarHBondContact O-N 3.12Å; L460-P479 HydrophobicContact CB-CB 4.42Å; L460-P479 HydrophobicContact CD1-CB 4.33Å; L460-P479 PolarHBondContact N-O 2.65Å; L460-K481 HydrophobicContact CD2-CB 4.1Å
461N95.9Very high91.6Very high105 Ų10546 Ų4656%0.56127%0.267SS*.THydrogen-bonded Turntrans-107.56.4-178.5-62.2-23.3000113.3L459 D476L459-N461 VanDerWaalsContact C-N 3.33Å; L459-N461 PolarHBondContact O-N 3.14Å; N461-D476 PolarHBondContact ND2-OD2 3.33Å
462G94.4Very high91.4Very high25 Ų2546 Ų4626%0.25827%0.267SS..SBendtrans68.8-151.4-170.800000113.2P464G462-P464 WeakPolarHBondContact O-CD 3.43Å
463P94.8Very high91.4Very high98 Ų9848.4 Ų48.464%0.63628%0.276SS*.SBendtrans-64.3121.8-179.4-17.528.4000112.3L312L312-P463 HydrophobicContact CD1-CB 3.99Å; L312-P463 HydrophobicContact CD1-CG 4.17Å; L312-P463 HydrophobicContact CD2-CB 4.33Å; L312-P463 HydrophobicContact CD2-CG 3.74Å
464P95.4Very high91.6Very high19 Ų1947.1 Ų47.112%0.12327%0.268CS..PPolyproline II helixtrans-78.5160.4-178.535.5-40.6000112.2M308 G462 M466 P474 D476 L478M308-P464 HydrophobicContact CG-CG 3.93Å; M308-P464 HydrophobicContact SD-CG 3.46Å; M308-P464 WeakPolarHBondContact SD-CG 3.29Å; G462-P464 WeakPolarHBondContact O-CD 3.43Å; P464-M466 HydrophobicContact CG-SD 3.81Å; P464-M466 PolarHBondContact O-N 3.48Å; P464-P474 HydrophobicContact CB-CB 3.86Å; P464-P474 HydrophobicContact CG-CB 3.99Å; P464-D476 WeakPolarHBondContact CB-OD1 3.43Å; P464-L478 HydrophobicContact CB-CD1 4.41Å; P464-L478 HydrophobicContact CG-CD1 3.84Å
465T93.8Very high91.8Very high99 Ų9946.4 Ų46.461%0.60727%0.271SS*.PPolyproline II helixtrans-74.9119163.2-64.60000109.8V475T465-V475 HydrophobicContact CG2-CG2 4.1Å; T465-V475 VanDerWaalsContact O-CG2 3.31Å; T465-V475 WeakPolarHBondContact O-CG2 3.17Å; T465-V475 PolarHBondContact O-N 3.44Å
466M91.9Very high91.9Very high38 Ų3848.7 Ų48.719%0.18728%0.283CS..EExtended strand (participates in β ladder)trans-89.5132.4175.8-58.6-58.5-72.900111.6M308 P464 V472 Y473 P474M308-M466 HydrophobicContact SD-CE 4.34Å; M308-M466 HydrophobicContact SD-CG 4.17Å; M308-M466 HydrophobicContact SD-SD 3.62Å; M308-M466 VanDerWaalsContact SD-SD 3.62Å; P464-M466 HydrophobicContact CG-SD 3.81Å; P464-M466 PolarHBondContact O-N 3.48Å; M466-V472 HydrophobicContact CE-CG1 3.61Å; M466-Y473 WeakPolarHBondContact CA-O 3.37Å; M466-P474 HydrophobicContact SD-CB 3.8Å
467K89.3Confident92.1Very high88 Ų8848.7 Ų48.738%0.38328%0.283SS..EExtended strand (participates in β ladder)trans-118172.1171.5-75.8-173.4-171.9163.90110.8V472 Y473 V475K467-V472 CarbonylContact O-C 3.53Å; K467-V472 VanDerWaalsContact O-CA 3.32Å; K467-V472 WeakPolarHBondContact O-CA 3.41Å; K467-Y473 HydrophobicContact CB-CE1 4.11Å; K467-Y473 HydrophobicContact CB-CE2 4.06Å; K467-Y473 PolarHBondContact N-O 3.36Å; K467-Y473 PolarHBondContact O-N 2.76Å; K467-V475 HydrophobicContact CB-CG2 4.18Å; K467-V475 HydrophobicContact CD-CG2 3.49Å; K467-V475 VanDerWaalsContact CD-CG2 3.49Å; K467-V475 HydrophobicContact CG-CG2 3.55Å
468T84.6Confident92.2Very high19 Ų1947.8 Ų47.812%0.11728%0.28CS..EExtended strand (participates in β ladder)trans-130.5124.4175.4-52.20000109.3R64 R65 P363 T471 V472R64-T468 PolarHBondContact NH1-O 3.43Å; R65-T468 PolarHBondContact NE-OG1 2.78Å; R65-T468 PolarHBondContact NH2-OG1 3.42Å; P363-T468 HydrophobicContact CB-CG2 4.22Å; P363-T468 HydrophobicContact CG-CG2 3.81Å; T468-T471 CarbonylContact C-O 3.55Å; T468-T471 VanDerWaalsContact CA-O 3.28Å; T468-T471 WeakPolarHBondContact CA-O 3.25Å; T468-V472 HydrophobicContact CG2-CG2 4.32Å
469G73.1Confident92.2Very high33 Ų3344.1 Ų44.134%0.3426%0.258SS..SBendtrans165.3103.7169.900000114.3T471G469-T471 PolarHBondContact N-O 3.17Å
470P76.2Confident92.2Very high48 Ų4843.4 Ų43.431%0.31225%0.254SS..SBendcis-75.9-22.8-10.232.1-34.2000113.1I215 F219I215-P470 HydrophobicContact CG2-CG 4.25Å; F219-P470 HydrophobicContact CD2-CB 4.39Å; F219-P470 HydrophobicContact CE2-CB 3.83Å
471T89.9Confident92.2Very high6 Ų644.5 Ų44.54%0.03726%0.255CS..SBendtrans-105.4174.5176.651.90000111.9E297 T298 P361 T468 G469 Y473E297-T471 HydrophobicContact CB-CG2 3.85Å; E297-T471 PolarHBondContact OE2-OG1 2.91Å; T298-T471 HydrophobicContact CG2-CG2 4.4Å; P361-T471 WeakPolarHBondContact O-CA 3.49Å; T468-T471 CarbonylContact C-O 3.55Å; T468-T471 VanDerWaalsContact CA-O 3.28Å; T468-T471 WeakPolarHBondContact CA-O 3.25Å; G469-T471 PolarHBondContact N-O 3.17Å; T471-Y473 WeakPolarHBondContact O-CD1 3.23Å
472V92Very high92.2Very high0 Ų040.3 Ų40.30%023%0.232CC..EExtended strand (participates in β ladder)trans-78130.1176.4177.80000110.3R65 S301 N359 P360 P361 M466 K467 T468R65-V472 VanDerWaalsContact NH2-CG2 3.26Å; S301-V472 VanDerWaalsContact CB-O 3.31Å; S301-V472 WeakPolarHBondContact CB-O 3.29Å; S301-V472 PolarHBondContact OG-N 3.09Å; S301-V472 PolarHBondContact OG-O 2.91Å; N359-V472 HydrophobicContact CB-CG1 4.04Å; P360-V472 WeakPolarHBondContact O-CG2 3.31Å; P361-V472 PolarHBondContact O-N 3.39Å; M466-V472 HydrophobicContact CE-CG1 3.61Å; K467-V472 CarbonylContact O-C 3.53Å; K467-V472 VanDerWaalsContact O-CA 3.32Å; K467-V472 WeakPolarHBondContact O-CA 3.41Å; T468-V472 HydrophobicContact CG2-CG2 4.32Å
473Y93.5Very high92.1Very high50 Ų5042.1 Ų42.120%0.19624%0.24CC..EExtended strand (participates in β ladder)trans-148.4152.1-179.266.5-90.5000112.7Y177 M466 K467 T471Y177-Y473 HydrophobicContact CE1-CD2 4.44Å; Y177-Y473 HydrophobicContact CE1-CG 4.16Å; Y177-Y473 VanDerWaalsContact CZ-CB 3.44Å; M466-Y473 WeakPolarHBondContact CA-O 3.37Å; K467-Y473 HydrophobicContact CB-CE1 4.11Å; K467-Y473 HydrophobicContact CB-CE2 4.06Å; K467-Y473 PolarHBondContact N-O 3.36Å; K467-Y473 PolarHBondContact O-N 2.76Å; T471-Y473 WeakPolarHBondContact O-CD1 3.23Å
474P96.3Very high92Very high1 Ų140.9 Ų40.91%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-77.3133171.331.3-33.1000110.9Y177 T304 P464 M466 D476 N477 L478Y177-P474 HydrophobicContact CG-CG 4.43Å; T304-P474 HydrophobicContact CG2-CG 3.74Å; P464-P474 HydrophobicContact CB-CB 3.86Å; P464-P474 HydrophobicContact CG-CB 3.99Å; M466-P474 HydrophobicContact SD-CB 3.8Å; P474-D476 VanDerWaalsContact C-N 3.28Å; P474-D476 PolarHBondContact O-N 2.79Å; P474-N477 PolarHBondContact O-N 3.33Å; P474-L478 HydrophobicContact CB-CB 4.09Å; P474-L478 HydrophobicContact CG-CB 3.74Å
475V94.8Very high91.7Very high65 Ų6543.9 Ų43.939%0.39424%0.243SC..THydrogen-bonded Turntrans-63.2-33.3-176.1171.40000113.1T465 K467 N477T465-V475 HydrophobicContact CG2-CG2 4.1Å; T465-V475 VanDerWaalsContact O-CG2 3.31Å; T465-V475 WeakPolarHBondContact O-CG2 3.17Å; T465-V475 PolarHBondContact O-N 3.44Å; K467-V475 HydrophobicContact CB-CG2 4.18Å; K467-V475 HydrophobicContact CD-CG2 3.49Å; K467-V475 VanDerWaalsContact CD-CG2 3.49Å; K467-V475 HydrophobicContact CG-CG2 3.55Å; V475-N477 VanDerWaalsContact C-N 3.33Å
476D96.3Very high90.6Very high49 Ų4946.5 Ų46.526%0.26225%0.251SS..THydrogen-bonded Turntrans-92.28.7-17868.3-19.9000113.1N461 P464 P474 L478 P479N461-D476 PolarHBondContact ND2-OD2 3.33Å; P464-D476 WeakPolarHBondContact CB-OD1 3.43Å; P474-D476 VanDerWaalsContact C-N 3.28Å; P474-D476 PolarHBondContact O-N 2.79Å; D476-L478 PolarHBondContact O-N 3.38Å; D476-L478 PolarHBondContact OD1-N 3.17Å; D476-L478 VanDerWaalsContact OD1-N 3.09Å; D476-P479 WeakPolarHBondContact O-CD 3.26Å; D476-P479 VanDerWaalsContact OD2-CD 3.32Å; D476-P479 WeakPolarHBondContact OD2-CD 3.35Å
477N96.6Very high89.3Confident58 Ų5849.4 Ų49.431%0.3126%0.262SS..  trans63.812.3-174.3-60.1-56.6000115.4L175 V176 Y177 P178 P474 V475L175-N477 CarbonylContact C-O 3.28Å; L175-N477 HydrophobicContact CB-CB 4.32Å; L175-N477 HydrophobicContact CD2-CB 4.5Å; V176-N477 PolarHBondContact N-O 3.17Å; Y177-N477 PolarHBondContact N-O 2.77Å; Y177-N477 VanDerWaalsContact N-O 3.08Å; P178-N477 HydrophobicContact CG-CB 4.18Å; P474-N477 PolarHBondContact O-N 3.33Å; V475-N477 VanDerWaalsContact C-N 3.33Å
478L97.8Very high87.4Confident2 Ų252.2 Ų52.21%0.0128%0.282CS..  trans53.969.1179.7-16975.8000114V176 T304 I307 M308 L459 P464 P474 D476 T480V176-L478 HydrophobicContact CB-CB 4.19Å; V176-L478 HydrophobicContact CB-CD2 3.96Å; V176-L478 HydrophobicContact CB-CG 4.32Å; V176-L478 HydrophobicContact CG1-CD2 4Å; V176-L478 HydrophobicContact CG2-CD2 4.27Å; V176-L478 HydrophobicContact CG2-CG 4.48Å; V176-L478 WeakPolarHBondContact CG2-O 3.15Å; V176-L478 PolarHBondContact N-O 3.2Å; T304-L478 HydrophobicContact CG2-CD2 3.97Å; I307-L478 HydrophobicContact CB-CD2 4.35Å; I307-L478 HydrophobicContact CG2-CD2 4.1Å; M308-L478 HydrophobicContact CB-CD1 4.09Å; M308-L478 HydrophobicContact CB-CD2 3.86Å; M308-L478 HydrophobicContact CG-CD1 4.05Å; L459-L478 HydrophobicContact CD1-CD1 4.17Å; L459-L478 HydrophobicContact CD2-CD1 3.9Å; L459-L478 HydrophobicContact CD2-CD2 4.45Å; L459-L478 HydrophobicContact CD2-CG 4.17Å; P464-L478 HydrophobicContact CB-CD1 4.41Å; P464-L478 HydrophobicContact CG-CD1 3.84Å; P474-L478 HydrophobicContact CB-CB 4.09Å; P474-L478 HydrophobicContact CG-CB 3.74Å; D476-L478 PolarHBondContact O-N 3.38Å; D476-L478 PolarHBondContact OD1-N 3.17Å; D476-L478 VanDerWaalsContact OD1-N 3.09Å; L478-T480 PolarHBondContact O-N 2.79Å; L478-T480 PolarHBondContact O-OG1 3.1Å
479P97.3Very high85.4Confident18 Ų1860.5 Ų60.512%0.11734%0.335CS..EExtended strand (participates in β ladder)trans-61.4119.8175.5-20.735.8000110.8C173 L175 L460 D476C173-P479 WeakPolarHBondContact SG-CB 3.49Å; L175-P479 HydrophobicContact CD2-CB 4.15Å; L175-P479 HydrophobicContact CD2-CG 3.97Å; L460-P479 HydrophobicContact CB-CB 4.42Å; L460-P479 HydrophobicContact CD1-CB 4.33Å; L460-P479 PolarHBondContact N-O 2.65Å; D476-P479 WeakPolarHBondContact O-CD 3.26Å; D476-P479 VanDerWaalsContact OD2-CD 3.32Å; D476-P479 WeakPolarHBondContact OD2-CD 3.35Å
480T97.4Very high86.1Confident0 Ų061.9 Ų61.90%034%0.335CS..EExtended strand (participates in β ladder)trans-136.3137.2-171-56.80000110.8V174 V176 I307 W457 T458 L459 L478 F482V174-T480 PolarHBondContact N-O 3.21Å; V174-T480 PolarHBondContact O-N 2.82Å; V176-T480 HydrophobicContact CG2-CG2 4.34Å; V176-T480 VanDerWaalsContact CG2-OG1 3.29Å; V176-T480 WeakPolarHBondContact CG2-OG1 3.36Å; I307-T480 HydrophobicContact CG2-CG2 4.46Å; W457-T480 HydrophobicContact CB-CG2 3.81Å; W457-T480 HydrophobicContact CG-CG2 4.17Å; T458-T480 WeakPolarHBondContact O-CA 3.25Å; L459-T480 HydrophobicContact CD2-CG2 4.15Å; L459-T480 WeakPolarHBondContact CD2-OG1 3.29Å; L478-T480 PolarHBondContact O-N 2.79Å; L478-T480 PolarHBondContact O-OG1 3.1Å; T480-F482 HydrophobicContact CG2-CD2 4.09Å; T480-F482 HydrophobicContact CG2-CE1 4.48Å; T480-F482 HydrophobicContact CG2-CE2 3.62Å; T480-F482 HydrophobicContact CG2-CZ 3.84Å
481K96Very high86.6Confident114 Ų11462.6 Ų62.650%0.49634%0.336SS..EExtended strand (participates in β ladder)trans-98.1126.8170-172.6174.6-174.3173.80109.4W457 T458 L460W457-K481 CarbonylContact C-O 3.54Å; W457-K481 WeakPolarHBondContact CA-O 3.45Å; W457-K481 WeakPolarHBondContact CB-O 3.41Å; T458-K481 PolarHBondContact N-O 3.35Å; T458-K481 PolarHBondContact O-N 3.21Å; L460-K481 HydrophobicContact CD2-CB 4.1Å
482F95.1Very high86.4Confident17 Ų1765.7 Ų65.78%0.07535%0.353CS..EExtended strand (participates in β ladder)trans-102.7145.4174.2-68.7-92.6000110W167 L168 V174 V176 I307 C455 D456 W457 T480W167-F482 HydrophobicContact CB-CB 4.49Å; W167-F482 HydrophobicContact CB-CD2 4.26Å; W167-F482 HydrophobicContact CB-CG 4.36Å; W167-F482 HydrophobicContact CE3-CE1 4.34Å; W167-F482 HydrophobicContact CE3-CZ 4.29Å; L168-F482 HydrophobicContact CD2-CB 4.29Å; V174-F482 HydrophobicContact CB-CD2 4Å; V174-F482 HydrophobicContact CB-CE2 3.93Å; V174-F482 HydrophobicContact CG1-CE2 4.15Å; V174-F482 HydrophobicContact CG2-CD2 3.92Å; V174-F482 HydrophobicContact CG2-CE2 4.31Å; V176-F482 HydrophobicContact CG2-CE2 3.99Å; V176-F482 HydrophobicContact CG2-CZ 4.14Å; I307-F482 HydrophobicContact CD1-CE1 4.34Å; I307-F482 HydrophobicContact CD1-CZ 4.4Å; I307-F482 HydrophobicContact CG2-CZ 4.19Å; C455-F482 HydrophobicContact CB-CD1 3.98Å; D456-F482 WeakPolarHBondContact O-CA 3.48Å; W457-F482 HydrophobicContact CB-CD1 3.66Å; W457-F482 HydrophobicContact CB-CE1 3.82Å; W457-F482 HydrophobicContact CB-CG 4.18Å; W457-F482 HydrophobicContact CB-CZ 4.47Å; W457-F482 HydrophobicContact CD2-CE1 4.31Å; W457-F482 HydrophobicContact CG-CD1 4.31Å; W457-F482 HydrophobicContact CG-CE1 4.03Å; T480-F482 HydrophobicContact CG2-CD2 4.09Å; T480-F482 HydrophobicContact CG2-CE1 4.48Å; T480-F482 HydrophobicContact CG2-CE2 3.62Å; T480-F482 HydrophobicContact CG2-CZ 3.84Å
483S93.1Very high86.1Confident62 Ų6269.6 Ų69.643%0.43437%0.374SS..EExtended strand (participates in β ladder)trans-139.7150.6172.954.20000109.8C455 D456 Y485C455-S483 CarbonylContact C-O 3.55Å; C455-S483 VanDerWaalsContact CA-O 3.31Å; C455-S483 WeakPolarHBondContact CA-O 3.14Å; D456-S483 PolarHBondContact N-O 3.1Å; D456-S483 PolarHBondContact O-N 2.62Å; S483-Y485 PolarHBondContact O-N 3.18Å
484S91.6Very high85.6Confident73 Ų7370.8 Ų70.851%0.5139%0.385SS..EExtended strand (participates in β ladder)trans-62.1128.3179.4-58.90000110.7K454 M486K454-S484 WeakPolarHBondContact O-CA 3.38Å; S484-M486 PolarHBondContact O-N 3.48Å
485Y88.8Confident84.9Confident81 Ų8175.5 Ų75.532%0.31841%0.41SS..  trans-71.8111.1170.8175.4-121.2000109R321 K454 D456 S483 K487R321-Y485 VanDerWaalsContact CZ-CE2 3.49Å; R321-Y485 VanDerWaalsContact NH1-CD2 3.34Å; K454-Y485 PolarHBondContact O-N 2.97Å; D456-Y485 WeakPolarHBondContact OD2-CD2 3.35Å; S483-Y485 PolarHBondContact O-N 3.18Å; Y485-K487 HydrophobicContact CE1-CB 4.41Å
486M72.1Confident84.2Confident154 Ų15476.2 Ų76.276%0.75941%0.411SS*.  trans-97108.6174.5-69-103.4-77.500107.7S484 N488S484-M486 PolarHBondContact O-N 3.48Å; M486-N488 PolarHBondContact O-N 2.59Å; M486-N488 VanDerWaalsContact O-N 3.12Å
487K63.8Low83.2Confident100 Ų10078.3 Ų78.344%0.43542%0.423SS..  trans-63.6112.3172.5-171.9-179.5-175.1177.40108.1W325 Y485W325-K487 HydrophobicContact CZ3-CD 4.43Å; Y485-K487 HydrophobicContact CE1-CB 4.41Å
488N49.5Very low82.1Confident147 Ų14780 Ų8079%0.78643%0.432SS*.  trans-62.3127.7168.6-82.8-18.8000107.7M486M486-N488 PolarHBondContact O-N 2.59Å; M486-N488 VanDerWaalsContact O-N 3.12Å
489P43Very low80.7Confident192 Ų19287.1 Ų87.1100%1.24747%0.47SS*.  trans-61.40-172.222.9-32.5000113.7

Retrieved 489 of 489 residues in 203.4 ms (Link to these results)

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