A0A087XI43_POEFO Loading...

Breast cancer anti-estrogen resistance protein 3-like

AlphaFold DB , UniProt , Accession A0A087XI43, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 834 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
1M48Very low74.3Confident78 Ų7880.3 Ų80.338%0.38438%0.379SS..  0144.40-67.7-162.1-17200108.4N3 E30 L65M1-N3 PolarHBondContact O-N 3.19Å; M1-E30 PolarHBondContact N-OE1 3.28Å; M1-L65 HydrophobicContact CE-CD1 4.15Å; M1-L65 HydrophobicContact CE-CD2 4.13Å; M1-L65 HydrophobicContact CE-CG 4.28Å; M1-L65 HydrophobicContact CG-CD2 4.28Å
2N41.2Very low75.2Confident162 Ų16283.9 Ų83.987%0.86640%0.395SS*.  trans-70.9104.3175.9-6817.2000110.7R4N2-R4 PolarHBondContact O-N 3.2Å; N2-R4 VanDerWaalsContact O-N 3.14Å
3N53.5Low76.2Confident148 Ų14879.4 Ų79.479%0.79138%0.375SS*.  trans22.970.9166.5-67.81.3000116.3M1M1-N3 PolarHBondContact O-N 3.19Å
4R66.3Low77Confident125 Ų12583.4 Ų83.447%0.47240%0.4SS..  trans-86126.9168.2-67.1-176.2176177.5-3109.9N2 L29N2-R4 PolarHBondContact O-N 3.2Å; N2-R4 VanDerWaalsContact O-N 3.14Å; R4-L29 HydrophobicContact CB-CD2 4.44Å; R4-L29 PolarHBondContact O-N 3.3Å
5S81.8Confident77.9Confident54 Ų5478.5 Ų78.538%0.37838%0.377SS..  trans-67.8145.9174.5148.30000111.1A7 W8 W9 E23S5-A7 VanDerWaalsContact C-N 3.33Å; S5-A7 WeakPolarHBondContact OG-CB 3.44Å; S5-A7 PolarHBondContact OG-N 3Å; S5-A7 VanDerWaalsContact OG-N 3.15Å; S5-W8 PolarHBondContact O-N 3.12Å; S5-W9 PolarHBondContact O-N 2.85Å; S5-E23 PolarHBondContact OG-OE1 3.14Å
6I85.8Confident78.5Confident0 Ų076.8 Ų76.80%037%0.374CS..Hα-helixtrans-65.7-40177.9-56.4175.1000109.3W8 W9 L10 L22 E23 L32I6-W8 PolarHBondContact O-N 2.87Å; I6-W9 PolarHBondContact O-N 3.35Å; I6-W9 VanDerWaalsContact O-N 3.13Å; I6-L10 HydrophobicContact CG2-CD1 3.77Å; I6-L10 HydrophobicContact CG2-CG 3.97Å; I6-L10 WeakPolarHBondContact O-CB 3.25Å; I6-L10 WeakPolarHBondContact O-CG 3.47Å; I6-L10 PolarHBondContact O-N 3.12Å; I6-L22 HydrophobicContact CG2-CB 3.97Å; I6-L22 HydrophobicContact CG2-CD1 4.48Å; I6-E23 HydrophobicContact CB-CG 3.68Å; I6-E23 HydrophobicContact CD1-CG 4.12Å; I6-E23 HydrophobicContact CG1-CG 4.25Å; I6-E23 HydrophobicContact CG2-CG 4.36Å; I6-E23 PolarHBondContact N-OE1 3Å; I6-L32 HydrophobicContact CG2-CD2 4.34Å
7A86.1Confident79Confident18 Ų1878.1 Ų78.115%0.14938%0.379CS..Hα-helixtrans-52.8-36.1173.200000114S5 R11 T19 E23S5-A7 VanDerWaalsContact C-N 3.33Å; S5-A7 WeakPolarHBondContact OG-CB 3.44Å; S5-A7 PolarHBondContact OG-N 3Å; S5-A7 VanDerWaalsContact OG-N 3.15Å; A7-R11 WeakPolarHBondContact O-CD 3.41Å; A7-R11 VanDerWaalsContact O-CG 3.28Å; A7-R11 WeakPolarHBondContact O-CG 3.45Å; A7-T19 HydrophobicContact CB-CG2 3.35Å; A7-E23 WeakPolarHBondContact CB-OE1 3.39Å; A7-E23 PolarHBondContact N-OE1 3.12Å
8W87.6Confident79.6Confident120 Ų12075.8 Ų75.846%0.45537%0.366SS..Hα-helixtrans-74.4-45.4177.1179.485.8000111.5S5 I6 R11 Q12S5-W8 PolarHBondContact O-N 3.12Å; I6-W8 PolarHBondContact O-N 2.87Å; W8-R11 PolarHBondContact O-N 3.46Å; W8-Q12 HydrophobicContact CD2-CG 4.39Å; W8-Q12 HydrophobicContact CE3-CG 4.37Å; W8-Q12 HydrophobicContact CH2-CG 3.88Å; W8-Q12 HydrophobicContact CZ2-CG 3.91Å; W8-Q12 HydrophobicContact CZ3-CG 4.12Å; W8-Q12 PolarHBondContact O-N 2.92Å
9W90Very high80Confident8 Ų873.1 Ų73.13%0.0335%0.354CS..Hα-helixtrans-67.7-39.4-178.9179.989.1000112.4S5 I6 R11 Q12 I13 L29 L32 I54 Q57 L58 D61S5-W9 PolarHBondContact O-N 2.85Å; I6-W9 PolarHBondContact O-N 3.35Å; I6-W9 VanDerWaalsContact O-N 3.13Å; W9-R11 VanDerWaalsContact C-N 3.25Å; W9-R11 PolarHBondContact O-N 3.31Å; W9-Q12 WeakPolarHBondContact O-CA 3.33Å; W9-Q12 WeakPolarHBondContact O-CB 3.28Å; W9-Q12 PolarHBondContact O-N 3.39Å; W9-I13 HydrophobicContact CE3-CD1 4.19Å; W9-I13 HydrophobicContact CH2-CD1 3.69Å; W9-I13 HydrophobicContact CZ2-CD1 4.41Å; W9-I13 HydrophobicContact CZ2-CG2 4.49Å; W9-I13 HydrophobicContact CZ3-CD1 3.58Å; W9-I13 HydrophobicContact CZ3-CG1 4.5Å; W9-I13 PolarHBondContact O-N 3.21Å; W9-L29 HydrophobicContact CB-CD1 3.96Å; W9-L29 HydrophobicContact CB-CD2 4.04Å; W9-L29 VanDerWaalsContact CD1-CD2 3.47Å; W9-L29 HydrophobicContact CD2-CD1 3.48Å; W9-L29 VanDerWaalsContact CD2-CD1 3.48Å; W9-L29 HydrophobicContact CD2-CD2 4.47Å; W9-L29 HydrophobicContact CE3-CD1 3.85Å; W9-L29 HydrophobicContact CG-CD1 3.53Å; W9-L29 HydrophobicContact CG-CD2 3.75Å; W9-L29 HydrophobicContact CG-CG 4.29Å; W9-L32 HydrophobicContact CE3-CD2 4.29Å; W9-L32 HydrophobicContact CZ3-CD2 3.86Å; W9-I54 HydrophobicContact CH2-CG2 4.12Å; W9-I54 HydrophobicContact CZ3-CG2 4.33Å; W9-Q57 HydrophobicContact CH2-CB 4.43Å; W9-Q57 HydrophobicContact CZ2-CB 3.86Å; W9-Q57 HydrophobicContact CZ2-CG 3.71Å; W9-L58 HydrophobicContact CH2-CD1 4.12Å; W9-L58 HydrophobicContact CH2-CD2 3.63Å; W9-L58 HydrophobicContact CH2-CG 3.54Å; W9-L58 HydrophobicContact CZ2-CD2 3.47Å; W9-L58 VanDerWaalsContact CZ2-CD2 3.47Å; W9-L58 HydrophobicContact CZ2-CG 3.65Å; W9-L58 HydrophobicContact CZ3-CD2 4.36Å; W9-D61 PolarHBondContact NE1-OD2 3.27Å
10L88.9Confident80.1Confident0 Ų078.6 Ų78.60%038%0.376CS..Hα-helixtrans-60.5-33.1174.4-73.9175.5000113I6 Q12 I13 D14 L15 T19 L22I6-L10 HydrophobicContact CG2-CD1 3.77Å; I6-L10 HydrophobicContact CG2-CG 3.97Å; I6-L10 WeakPolarHBondContact O-CB 3.25Å; I6-L10 WeakPolarHBondContact O-CG 3.47Å; I6-L10 PolarHBondContact O-N 3.12Å; L10-Q12 PolarHBondContact O-N 3.25Å; L10-I13 HydrophobicContact CD2-CD1 4.07Å; L10-I13 HydrophobicContact CD2-CG1 4.47Å; L10-I13 WeakPolarHBondContact O-CG1 3.41Å; L10-I13 PolarHBondContact O-N 2.67Å; L10-D14 PolarHBondContact O-N 3.1Å; L10-L15 HydrophobicContact CD2-CB 4.41Å; L10-L15 PolarHBondContact O-N 3.38Å; L10-T19 VanDerWaalsContact CD1-CA 3.48Å; L10-L22 HydrophobicContact CD1-CD1 4.33Å; L10-L22 HydrophobicContact CD2-CD1 4.22Å
11R88.1Confident80.4Confident170 Ų17076.8 Ų76.864%0.64237%0.371SS*.THydrogen-bonded Turntrans-73.6-8.8172.1-69.9171.5-173.2-162.72.6114A7 W8 W9 P16A7-R11 WeakPolarHBondContact O-CD 3.41Å; A7-R11 VanDerWaalsContact O-CG 3.28Å; A7-R11 WeakPolarHBondContact O-CG 3.45Å; W8-R11 PolarHBondContact O-N 3.46Å; W9-R11 VanDerWaalsContact C-N 3.25Å; W9-R11 PolarHBondContact O-N 3.31Å; R11-P16 HydrophobicContact CG-CB 3.98Å
12Q84.6Confident82.2Confident124 Ų12473 Ų7358%0.57935%0.352SS*.THydrogen-bonded Turntrans-95.6-14.4173.3-61-66.5-96.800112.7W8 W9 L10W8-Q12 HydrophobicContact CD2-CG 4.39Å; W8-Q12 HydrophobicContact CE3-CG 4.37Å; W8-Q12 HydrophobicContact CH2-CG 3.88Å; W8-Q12 HydrophobicContact CZ2-CG 3.91Å; W8-Q12 HydrophobicContact CZ3-CG 4.12Å; W8-Q12 PolarHBondContact O-N 2.92Å; W9-Q12 WeakPolarHBondContact O-CA 3.33Å; W9-Q12 WeakPolarHBondContact O-CB 3.28Å; W9-Q12 PolarHBondContact O-N 3.39Å; L10-Q12 PolarHBondContact O-N 3.25Å
13I88.3Confident84.3Confident25 Ų2569 Ų6913%0.12833%0.328CS..THydrogen-bonded Turntrans-109.312171.165.3169.3000113W9 L10 L15 I54 Q57W9-I13 HydrophobicContact CE3-CD1 4.19Å; W9-I13 HydrophobicContact CH2-CD1 3.69Å; W9-I13 HydrophobicContact CZ2-CD1 4.41Å; W9-I13 HydrophobicContact CZ2-CG2 4.49Å; W9-I13 HydrophobicContact CZ3-CD1 3.58Å; W9-I13 HydrophobicContact CZ3-CG1 4.5Å; W9-I13 PolarHBondContact O-N 3.21Å; L10-I13 HydrophobicContact CD2-CD1 4.07Å; L10-I13 HydrophobicContact CD2-CG1 4.47Å; L10-I13 WeakPolarHBondContact O-CG1 3.41Å; L10-I13 PolarHBondContact O-N 2.67Å; I13-L15 VanDerWaalsContact C-N 3.29Å; I13-L15 HydrophobicContact CD1-CB 4.36Å; I13-L15 HydrophobicContact CD1-CD1 3.95Å; I13-L15 HydrophobicContact CD1-CG 4.4Å; I13-L15 HydrophobicContact CG1-CB 4.2Å; I13-L15 HydrophobicContact CG1-CD1 4.4Å; I13-L15 HydrophobicContact CG1-CG 4.32Å; I13-L15 PolarHBondContact O-N 3.15Å; I13-I54 HydrophobicContact CD1-CG1 3.74Å; I13-Q57 HydrophobicContact CG2-CB 4Å; I13-Q57 HydrophobicContact CG2-CG 3.65Å
14D87.8Confident85.6Confident136 Ų13664.2 Ų64.273%0.72731%0.307SS*.THydrogen-bonded Turntrans55.533.4-179-146.221000115.8L10 P16L10-D14 PolarHBondContact O-N 3.1Å; D14-P16 WeakPolarHBondContact O-CD 3.49Å
15L90.8Very high86.2Confident10 Ų1059.6 Ų59.65%0.05229%0.29CS..  trans-118.846175.3-60.7178.6000113.8L10 I13 Q17 Y18 H50 T53 I54L10-L15 HydrophobicContact CD2-CB 4.41Å; L10-L15 PolarHBondContact O-N 3.38Å; I13-L15 VanDerWaalsContact C-N 3.29Å; I13-L15 HydrophobicContact CD1-CB 4.36Å; I13-L15 HydrophobicContact CD1-CD1 3.95Å; I13-L15 HydrophobicContact CD1-CG 4.4Å; I13-L15 HydrophobicContact CG1-CB 4.2Å; I13-L15 HydrophobicContact CG1-CD1 4.4Å; I13-L15 HydrophobicContact CG1-CG 4.32Å; I13-L15 PolarHBondContact O-N 3.15Å; L15-Q17 PolarHBondContact O-N 3.36Å; L15-Q17 VanDerWaalsContact O-N 3.12Å; L15-Y18 HydrophobicContact CB-CD2 4.19Å; L15-Y18 PolarHBondContact O-N 3.46Å; L15-H50 HydrophobicContact CD1-CB 4.03Å; L15-H50 HydrophobicContact CD2-CB 4.34Å; L15-H50 WeakPolarHBondContact CD2-CD2 2.89Å; L15-T53 HydrophobicContact CD1-CG2 4.06Å; L15-I54 HydrophobicContact CD1-CD1 4.13Å; L15-I54 HydrophobicContact CD1-CG1 3.9Å
16P88Confident86.3Confident51 Ų5157.1 Ų57.133%0.33127%0.273SS..G310 helixtrans-61.7-21.7-175.528.6-36.9000114.4R11 D14 Y18 T19R11-P16 HydrophobicContact CG-CB 3.98Å; D14-P16 WeakPolarHBondContact O-CD 3.49Å; P16-Y18 PolarHBondContact O-N 2.9Å; P16-T19 VanDerWaalsContact O-CB 3.25Å; P16-T19 WeakPolarHBondContact O-CB 3.46Å; P16-T19 PolarHBondContact O-N 3.22Å; P16-T19 VanDerWaalsContact O-N 3.1Å; P16-T19 PolarHBondContact O-OG1 2.84Å
17Q85.8Confident85.9Confident99 Ų9966.8 Ų66.846%0.46331%0.31SS..G310 helixtrans-57.1-33.6-179.960.4-82.71800113.2L15 T19L15-Q17 PolarHBondContact O-N 3.36Å; L15-Q17 VanDerWaalsContact O-N 3.12Å; Q17-T19 VanDerWaalsContact C-N 3.26Å; Q17-T19 PolarHBondContact O-N 2.88Å
18Y89.6Confident85.6Confident37 Ų3767.2 Ų67.215%0.14532%0.317CS..G310 helixtrans-84.36.1-179.3-56.6-61.6000114.1L15 P16 K20 T21 L22 I45 H50L15-Y18 HydrophobicContact CB-CD2 4.19Å; L15-Y18 PolarHBondContact O-N 3.46Å; P16-Y18 PolarHBondContact O-N 2.9Å; Y18-K20 PolarHBondContact O-N 3.29Å; Y18-T21 WeakPolarHBondContact O-CB 3.32Å; Y18-T21 PolarHBondContact O-N 2.86Å; Y18-L22 PolarHBondContact O-N 3.29Å; Y18-I45 HydrophobicContact CD1-CB 4.47Å; Y18-I45 HydrophobicContact CD1-CD1 4.02Å; Y18-I45 HydrophobicContact CD1-CG1 3.73Å; Y18-I45 HydrophobicContact CD1-CG2 4.34Å; Y18-I45 HydrophobicContact CD2-CD1 4.17Å; Y18-I45 HydrophobicContact CD2-CG2 4.35Å; Y18-I45 HydrophobicContact CE1-CB 4.35Å; Y18-I45 HydrophobicContact CE1-CG1 4.1Å; Y18-I45 HydrophobicContact CE1-CG2 3.98Å; Y18-I45 HydrophobicContact CE2-CG2 4.01Å; Y18-I45 HydrophobicContact CG-CD1 3.75Å; Y18-I45 HydrophobicContact CG-CG1 4.02Å; Y18-H50 HydrophobicContact CE2-CB 3.81Å; Y18-H50 AromaticContact CE2-CG 3.87Å; Y18-H50 AromaticContact CE2-ND1 3.62Å; Y18-H50 AromaticContact CZ-ND1 3.72Å; Y18-H50 PolarHBondContact OH-ND1 3.15Å
19T87.3Confident85.3Confident23 Ų2362 Ų6214%0.14130%0.298CS..Hα-helixtrans-54.1-55.8-179.4-63.60000112.1A7 L10 P16 Q17 T21 L22 E23A7-T19 HydrophobicContact CB-CG2 3.35Å; L10-T19 VanDerWaalsContact CD1-CA 3.48Å; P16-T19 VanDerWaalsContact O-CB 3.25Å; P16-T19 WeakPolarHBondContact O-CB 3.46Å; P16-T19 PolarHBondContact O-N 3.22Å; P16-T19 VanDerWaalsContact O-N 3.1Å; P16-T19 PolarHBondContact O-OG1 2.84Å; Q17-T19 VanDerWaalsContact C-N 3.26Å; Q17-T19 PolarHBondContact O-N 2.88Å; T19-T21 VanDerWaalsContact C-N 3.28Å; T19-T21 PolarHBondContact O-N 3.13Å; T19-L22 PolarHBondContact O-N 3.19Å; T19-E23 WeakPolarHBondContact CG2-OE2 3.46Å; T19-E23 VanDerWaalsContact O-CB 3.3Å; T19-E23 WeakPolarHBondContact O-CB 3.4Å; T19-E23 WeakPolarHBondContact O-CG 3.41Å; T19-E23 PolarHBondContact O-N 3.29Å
20K83.6Confident84.8Confident183 Ų18366.6 Ų66.680%0.79632%0.32SS*.Hα-helixtrans-62.4-39.9-178.2-69.4-176.6176.2-1790111.6Y18 S24Y18-K20 PolarHBondContact O-N 3.29Å; K20-S24 VanDerWaalsContact O-CB 3.3Å; K20-S24 WeakPolarHBondContact O-CB 3.42Å; K20-S24 PolarHBondContact O-N 3.26Å; K20-S24 PolarHBondContact O-OG 3.38Å; K20-S24 VanDerWaalsContact O-OG 3.07Å
21T85.9Confident84.2Confident41 Ų4167.5 Ų67.525%0.25233%0.329SS..Hα-helixtrans-60.6-53.7-179-470000111.3Y18 T19 S24 A43Y18-T21 WeakPolarHBondContact O-CB 3.32Å; Y18-T21 PolarHBondContact O-N 2.86Å; T19-T21 VanDerWaalsContact C-N 3.28Å; T19-T21 PolarHBondContact O-N 3.13Å; T21-S24 PolarHBondContact O-N 3.48Å; T21-S24 PolarHBondContact O-OG 3.5Å; T21-A43 WeakPolarHBondContact CG2-O 3.14Å
22L85.9Confident84.1Confident0 Ų059.4 Ų59.40%030%0.298CS..Hα-helixtrans-77.5-33.8-177.5-64.7178.6000112.8I6 L10 Y18 T19 S24 E25 Y26 L32 L40 A43 I45I6-L22 HydrophobicContact CG2-CB 3.97Å; I6-L22 HydrophobicContact CG2-CD1 4.48Å; L10-L22 HydrophobicContact CD1-CD1 4.33Å; L10-L22 HydrophobicContact CD2-CD1 4.22Å; Y18-L22 PolarHBondContact O-N 3.29Å; T19-L22 PolarHBondContact O-N 3.19Å; L22-S24 PolarHBondContact O-N 3.44Å; L22-E25 PolarHBondContact O-N 2.96Å; L22-Y26 HydrophobicContact CD2-CD2 4.21Å; L22-Y26 HydrophobicContact CD2-CE2 4.34Å; L22-Y26 PolarHBondContact O-N 3.07Å; L22-L32 HydrophobicContact CD1-CD1 4.1Å; L22-L32 HydrophobicContact CD1-CD2 4.03Å; L22-L32 HydrophobicContact CD2-CD1 4.03Å; L22-L32 HydrophobicContact CG-CD1 4.48Å; L22-L40 HydrophobicContact CD2-CD2 3.88Å; L22-A43 HydrophobicContact CD2-CB 4.41Å; L22-I45 HydrophobicContact CD1-CD1 4.01Å; L22-I45 HydrophobicContact CD2-CD1 4.06Å; L22-I45 HydrophobicContact CG-CD1 4.14Å
23E85.5Confident83.9Confident76 Ų7654.5 Ų54.536%0.35528%0.276SS..Hα-helixtrans-71.9-9.1172.5-66.8-173.2152.500113.2S5 I6 A7 T19 Q81S5-E23 PolarHBondContact OG-OE1 3.14Å; I6-E23 HydrophobicContact CB-CG 3.68Å; I6-E23 HydrophobicContact CD1-CG 4.12Å; I6-E23 HydrophobicContact CG1-CG 4.25Å; I6-E23 HydrophobicContact CG2-CG 4.36Å; I6-E23 PolarHBondContact N-OE1 3Å; A7-E23 WeakPolarHBondContact CB-OE1 3.39Å; A7-E23 PolarHBondContact N-OE1 3.12Å; T19-E23 WeakPolarHBondContact CG2-OE2 3.46Å; T19-E23 VanDerWaalsContact O-CB 3.3Å; T19-E23 WeakPolarHBondContact O-CB 3.4Å; T19-E23 WeakPolarHBondContact O-CG 3.41Å; T19-E23 PolarHBondContact O-N 3.29Å; E23-Q81 PolarHBondContact O-NE2 3.25Å
24S81.1Confident83.7Confident49 Ų4958.2 Ų58.234%0.34329%0.289SS..THydrogen-bonded Turntrans-92.9-9169.166.30000115.2K20 T21 L22 Q81K20-S24 VanDerWaalsContact O-CB 3.3Å; K20-S24 WeakPolarHBondContact O-CB 3.42Å; K20-S24 PolarHBondContact O-N 3.26Å; K20-S24 PolarHBondContact O-OG 3.38Å; K20-S24 VanDerWaalsContact O-OG 3.07Å; T21-S24 PolarHBondContact O-N 3.48Å; T21-S24 PolarHBondContact O-OG 3.5Å; L22-S24 PolarHBondContact O-N 3.44Å; S24-Q81 PolarHBondContact O-OE1 2.93Å
25E78.9Confident83.6Confident28 Ų2852 Ų5213%0.13126%0.256CS..THydrogen-bonded Turntrans-117.7-30.1176.2-72.4-150.4146.400114L22 A43 R80 Q81L22-E25 PolarHBondContact O-N 2.96Å; E25-A43 VanDerWaalsContact OE2-CB 3.24Å; E25-A43 WeakPolarHBondContact OE2-CB 3.05Å; E25-R80 VanDerWaalsContact CD-CZ 3.49Å; E25-R80 CarbonylContact O-C 3.58Å; E25-R80 WeakPolarHBondContact O-CA 3.44Å; E25-R80 IonicContact OE1-CZ 3.7Å; E25-R80 IonicContact OE1-NE 3.76Å; E25-R80 IonicContact OE1-NH1 2.79Å; E25-R80 PolarHBondContact OE1-NH1 3.22Å; E25-R80 IonicContact OE2-CZ 2.79Å; E25-R80 IonicContact OE2-NE 3.21Å; E25-R80 PolarHBondContact OE2-NE 3.27Å; E25-R80 VanDerWaalsContact OE2-NE 3.08Å; E25-R80 IonicContact OE2-NH1 3.65Å; E25-R80 PolarHBondContact OE2-NH1 2.94Å; E25-R80 IonicContact OE2-NH2 3.66Å; E25-R80 PolarHBondContact OE2-NH2 3.21Å; E25-Q81 WeakPolarHBondContact O-CG 3.3Å; E25-Q81 PolarHBondContact O-N 3.37Å
26Y82.6Confident83.4Confident2 Ų255 Ų551%0.00828%0.275CS..  trans-124.8141.6-171.2-61.8-87.6000111.4L22 G31 L32 V35 V78 R80 Q81L22-Y26 HydrophobicContact CD2-CD2 4.21Å; L22-Y26 HydrophobicContact CD2-CE2 4.34Å; L22-Y26 PolarHBondContact O-N 3.07Å; Y26-G31 WeakPolarHBondContact CD1-O 3.3Å; Y26-L32 HydrophobicContact CD2-CD1 4.02Å; Y26-L32 HydrophobicContact CE2-CD1 4.49Å; Y26-L32 HydrophobicContact CG-CD1 4.1Å; Y26-V35 HydrophobicContact CE1-CG2 4.22Å; Y26-V35 HydrophobicContact CE2-CG2 4.49Å; Y26-V78 HydrophobicContact CD1-CG1 3.76Å; Y26-V78 HydrophobicContact CE1-CB 4.26Å; Y26-V78 HydrophobicContact CE1-CG1 3.67Å; Y26-R80 HydrophobicContact CE1-CG 4.44Å; Y26-R80 PolarHBondContact OH-NE 3.31Å; Y26-Q81 PolarHBondContact O-NE2 2.76Å
27Y77.8Confident83.4Confident202 Ų20255.9 Ų55.979%0.79228%0.277SS*.SBendtrans-9899.8-179.8-168.1-95.8000111.5
28G80.2Confident83.2Confident27 Ų2752.8 Ų52.828%0.27827%0.272SS..Hα-helixtrans70.3171.6-179.100000114.1E30 G31G28-E30 PolarHBondContact O-N 3.06Å; G28-G31 PolarHBondContact O-N 2.82Å
29L80.2Confident83Confident11 Ų1152.9 Ų52.96%0.05827%0.273CS..Hα-helixtrans-63.3-26.8-175.6-174.362000113.5R4 W9 L32 L33 L58R4-L29 HydrophobicContact CB-CD2 4.44Å; R4-L29 PolarHBondContact O-N 3.3Å; W9-L29 HydrophobicContact CB-CD1 3.96Å; W9-L29 HydrophobicContact CB-CD2 4.04Å; W9-L29 VanDerWaalsContact CD1-CD2 3.47Å; W9-L29 HydrophobicContact CD2-CD1 3.48Å; W9-L29 VanDerWaalsContact CD2-CD1 3.48Å; W9-L29 HydrophobicContact CD2-CD2 4.47Å; W9-L29 HydrophobicContact CE3-CD1 3.85Å; W9-L29 HydrophobicContact CG-CD1 3.53Å; W9-L29 HydrophobicContact CG-CD2 3.75Å; W9-L29 HydrophobicContact CG-CG 4.29Å; L29-L32 HydrophobicContact CD1-CD2 4.4Å; L29-L32 PolarHBondContact O-N 3.35Å; L29-L32 VanDerWaalsContact O-N 3.15Å; L29-L33 PolarHBondContact O-N 3Å; L29-L58 HydrophobicContact CD1-CD2 4.07Å
30E79.9Confident83Confident105 Ų10551.8 Ų51.849%0.49127%0.266SS..Hα-helixtrans-70.2-34.3-179.6-52.9-159.7133.200112.1M1 G28 L32 L33M1-E30 PolarHBondContact N-OE1 3.28Å; G28-E30 PolarHBondContact O-N 3.06Å; E30-L32 VanDerWaalsContact C-N 3.26Å; E30-L32 PolarHBondContact O-N 2.74Å; E30-L33 WeakPolarHBondContact O-CB 3.49Å; E30-L33 PolarHBondContact O-N 2.74Å
31G77.1Confident83.1Confident19 Ų1950.5 Ų50.520%0.19626%0.257CS..Hα-helixtrans-64.6-29.617000000112.9Y26 G28 V78Y26-G31 WeakPolarHBondContact CD1-O 3.3Å; G28-G31 PolarHBondContact O-N 2.82Å; G31-V78 VanDerWaalsContact O-CG1 3.26Å; G31-V78 WeakPolarHBondContact O-CG1 3.35Å
32L84.7Confident83Confident0 Ų054.2 Ų54.20%028%0.275CS..Hα-helixtrans-80-18.3177.7-159.370.2000112.9I6 W9 L22 Y26 L29 E30 Y34 V35 L40 L58I6-L32 HydrophobicContact CG2-CD2 4.34Å; W9-L32 HydrophobicContact CE3-CD2 4.29Å; W9-L32 HydrophobicContact CZ3-CD2 3.86Å; L22-L32 HydrophobicContact CD1-CD1 4.1Å; L22-L32 HydrophobicContact CD1-CD2 4.03Å; L22-L32 HydrophobicContact CD2-CD1 4.03Å; L22-L32 HydrophobicContact CG-CD1 4.48Å; Y26-L32 HydrophobicContact CD2-CD1 4.02Å; Y26-L32 HydrophobicContact CE2-CD1 4.49Å; Y26-L32 HydrophobicContact CG-CD1 4.1Å; L29-L32 HydrophobicContact CD1-CD2 4.4Å; L29-L32 PolarHBondContact O-N 3.35Å; L29-L32 VanDerWaalsContact O-N 3.15Å; E30-L32 VanDerWaalsContact C-N 3.26Å; E30-L32 PolarHBondContact O-N 2.74Å; L32-Y34 PolarHBondContact O-N 3.24Å; L32-V35 HydrophobicContact CD1-CB 4.31Å; L32-V35 HydrophobicContact CD1-CG1 4.05Å; L32-V35 HydrophobicContact CG-CG1 4.17Å; L32-V35 WeakPolarHBondContact O-CB 3.35Å; L32-V35 VanDerWaalsContact O-CG1 3.26Å; L32-V35 WeakPolarHBondContact O-CG1 3.41Å; L32-V35 PolarHBondContact O-N 3.19Å; L32-V35 VanDerWaalsContact O-N 3.12Å; L32-L40 HydrophobicContact CD1-CD2 4.31Å; L32-L58 HydrophobicContact CD2-CD1 4.16Å; L32-L58 HydrophobicContact CD2-CD2 4.4Å; L32-L58 HydrophobicContact CG-CD1 3.96Å; L32-L58 WeakPolarHBondContact O-CD1 3.33Å
33L82.1Confident82.8Confident20 Ų2054.9 Ų54.911%0.10528%0.28CS..THydrogen-bonded Turntrans-59.1-28.5-165.6-166.165.4000114.9L29 E30 L58 R62 L65L29-L33 PolarHBondContact O-N 3Å; E30-L33 WeakPolarHBondContact O-CB 3.49Å; E30-L33 PolarHBondContact O-N 2.74Å; L33-L58 HydrophobicContact CD1-CD2 4.43Å; L33-R62 HydrophobicContact CD1-CG 3.76Å; L33-R62 HydrophobicContact CD2-CG 4.18Å; L33-R62 HydrophobicContact CG-CG 3.72Å; L33-R62 WeakPolarHBondContact O-CD 3.38Å; L33-R62 PolarHBondContact O-NE 3.31Å; L33-R62 PolarHBondContact O-NH1 2.97Å; L33-R62 PolarHBondContact O-NH2 3.03Å; L33-L65 HydrophobicContact CD2-CD1 3.94Å
34Y82.2Confident82.6Confident104 Ų10453.4 Ų53.441%0.40829%0.286SS..THydrogen-bonded Turntrans-111.99.9-177.8-63-76.8000114.4L32L32-Y34 PolarHBondContact O-N 3.24Å
35V86.3Confident83Confident4 Ų451 Ų512%0.02427%0.269CS..  trans-60.1146.5-178.2770000112.5Y26 L32 E39 L40 L55 L58Y26-V35 HydrophobicContact CE1-CG2 4.22Å; Y26-V35 HydrophobicContact CE2-CG2 4.49Å; L32-V35 HydrophobicContact CD1-CB 4.31Å; L32-V35 HydrophobicContact CD1-CG1 4.05Å; L32-V35 HydrophobicContact CG-CG1 4.17Å; L32-V35 WeakPolarHBondContact O-CB 3.35Å; L32-V35 VanDerWaalsContact O-CG1 3.26Å; L32-V35 WeakPolarHBondContact O-CG1 3.41Å; L32-V35 PolarHBondContact O-N 3.19Å; L32-V35 VanDerWaalsContact O-N 3.12Å; V35-E39 HydrophobicContact CG2-CB 3.76Å; V35-L40 HydrophobicContact CB-CD2 4.48Å; V35-L40 HydrophobicContact CG1-CD1 4.02Å; V35-L40 HydrophobicContact CG1-CD2 3.8Å; V35-L40 HydrophobicContact CG1-CG 3.83Å; V35-L40 HydrophobicContact CG2-CD2 3.87Å; V35-L40 HydrophobicContact CG2-CG 3.88Å; V35-L55 HydrophobicContact CG1-CD2 4.17Å; V35-L55 WeakPolarHBondContact O-CD2 3.26Å; V35-L58 HydrophobicContact CG1-CD1 3.83Å
36T87.8Confident83.2Confident74 Ų7457.5 Ų57.545%0.45430%0.3SS..  trans-103.1163177.864.20000113G38 E39 L40T36-G38 VanDerWaalsContact C-N 3.29Å; T36-G38 PolarHBondContact O-N 2.72Å; T36-E39 WeakPolarHBondContact CB-OE2 3.5Å; T36-E39 WeakPolarHBondContact CG2-OE2 3.35Å; T36-E39 PolarHBondContact N-OE2 2.58Å; T36-E39 PolarHBondContact O-N 2.73Å; T36-E39 VanDerWaalsContact OG1-CD 3.29Å; T36-E39 WeakPolarHBondContact OG1-CG 3.34Å; T36-E39 PolarHBondContact OG1-N 3.21Å; T36-E39 PolarHBondContact OG1-OE2 2.79Å; T36-L40 PolarHBondContact O-N 3.27Å
37D86Confident83.5Confident69 Ų6960.6 Ų60.637%0.36932%0.316SS..Hα-helixtrans-56.4-42.2177.2-17473000112.7L40 R41 R51 L55D37-L40 PolarHBondContact O-N 3.25Å; D37-R41 WeakPolarHBondContact O-CB 3.19Å; D37-R41 PolarHBondContact O-N 2.92Å; D37-R51 VanDerWaalsContact CG-NE 3.31Å; D37-R51 WeakPolarHBondContact O-CD 3.32Å; D37-R51 WeakPolarHBondContact OD1-CB 3.5Å; D37-R51 IonicContact OD1-CZ 3.1Å; D37-R51 IonicContact OD1-NE 3.11Å; D37-R51 PolarHBondContact OD1-NE 3.01Å; D37-R51 IonicContact OD1-NH2 3.32Å; D37-R51 PolarHBondContact OD1-NH2 3.35Å; D37-R51 IonicContact OD2-CZ 2.62Å; D37-R51 IonicContact OD2-NE 2.7Å; D37-R51 PolarHBondContact OD2-NE 3.21Å; D37-R51 IonicContact OD2-NH2 2.69Å; D37-R51 PolarHBondContact OD2-NH2 2.95Å; D37-L55 HydrophobicContact CB-CD1 3.83Å
38G82.8Confident83.9Confident35 Ų3553.6 Ų53.636%0.36130%0.3SS..Hα-helixtrans-61.6-45.3176.200000112.1T36 R41 D42T36-G38 VanDerWaalsContact C-N 3.29Å; T36-G38 PolarHBondContact O-N 2.72Å; G38-R41 PolarHBondContact O-N 3.28Å; G38-D42 WeakPolarHBondContact O-CB 3.44Å; G38-D42 VanDerWaalsContact O-CG 3.24Å; G38-D42 PolarHBondContact O-N 2.97Å
39E85.4Confident84.3Confident38 Ų3856.3 Ų56.318%0.17831%0.311CS..Hα-helixtrans-67-38.7178.5-70.8164.2132.600112.5V35 T36 R41 D42 A43 R80V35-E39 HydrophobicContact CG2-CB 3.76Å; T36-E39 WeakPolarHBondContact CB-OE2 3.5Å; T36-E39 WeakPolarHBondContact CG2-OE2 3.35Å; T36-E39 PolarHBondContact N-OE2 2.58Å; T36-E39 PolarHBondContact O-N 2.73Å; T36-E39 VanDerWaalsContact OG1-CD 3.29Å; T36-E39 WeakPolarHBondContact OG1-CG 3.34Å; T36-E39 PolarHBondContact OG1-N 3.21Å; T36-E39 PolarHBondContact OG1-OE2 2.79Å; E39-R41 VanDerWaalsContact C-N 3.32Å; E39-D42 PolarHBondContact O-N 3.13Å; E39-A43 WeakPolarHBondContact O-CB 3.02Å; E39-A43 PolarHBondContact O-N 2.62Å; E39-R80 PolarHBondContact O-NH2 3.25Å
40L86.9Confident84.8Confident0 Ų057.9 Ų57.90%032%0.318CS..Hα-helixtrans-65.5-35.6173.4-71.9177.9000112.2L22 L32 V35 T36 D37 I45 R51 I54 L55L22-L40 HydrophobicContact CD2-CD2 3.88Å; L32-L40 HydrophobicContact CD1-CD2 4.31Å; V35-L40 HydrophobicContact CB-CD2 4.48Å; V35-L40 HydrophobicContact CG1-CD1 4.02Å; V35-L40 HydrophobicContact CG1-CD2 3.8Å; V35-L40 HydrophobicContact CG1-CG 3.83Å; V35-L40 HydrophobicContact CG2-CD2 3.87Å; V35-L40 HydrophobicContact CG2-CG 3.88Å; T36-L40 PolarHBondContact O-N 3.27Å; D37-L40 PolarHBondContact O-N 3.25Å; L40-I45 HydrophobicContact CD2-CD1 4.25Å; L40-I45 WeakPolarHBondContact O-CB 3.26Å; L40-I45 PolarHBondContact O-N 2.7Å; L40-R51 HydrophobicContact CB-CG 3.9Å; L40-R51 HydrophobicContact CD1-CB 4.3Å; L40-R51 HydrophobicContact CD1-CG 4.39Å; L40-I54 HydrophobicContact CD1-CB 4.15Å; L40-I54 HydrophobicContact CD1-CG2 3.66Å; L40-I54 HydrophobicContact CD2-CG2 4.24Å; L40-L55 HydrophobicContact CD1-CD1 4.36Å; L40-L55 HydrophobicContact CD1-CD2 3.83Å; L40-L55 HydrophobicContact CD1-CG 3.78Å
41R86.1Confident85.4Confident157 Ų15753.9 Ų53.959%0.59230%0.299SS*.Hα-helixtrans-69.1-45.1174.5-175.8-178.2173.4-136.6-4.9111.4D37 G38 E39 A43 G44D37-R41 WeakPolarHBondContact O-CB 3.19Å; D37-R41 PolarHBondContact O-N 2.92Å; G38-R41 PolarHBondContact O-N 3.28Å; E39-R41 VanDerWaalsContact C-N 3.32Å; R41-A43 PolarHBondContact O-N 3.01Å; R41-G44 WeakPolarHBondContact O-CA 3.28Å; R41-G44 PolarHBondContact O-N 3.1Å
42D82.9Confident86Confident118 Ų11859 Ų5963%0.63132%0.318SS*.Hα-helixtrans-65.1-27.2176.9-70.9-11.2000112.1G38 E39 G44G38-D42 WeakPolarHBondContact O-CB 3.44Å; G38-D42 VanDerWaalsContact O-CG 3.24Å; G38-D42 PolarHBondContact O-N 2.97Å; E39-D42 PolarHBondContact O-N 3.13Å; D42-G44 PolarHBondContact O-N 2.69Å
43A81.4Confident86.3Confident14 Ų1461.8 Ų61.812%0.11634%0.335CS..THydrogen-bonded Turntrans-71.9-8.8169.700000113.4T21 L22 E25 E39 R41T21-A43 WeakPolarHBondContact CG2-O 3.14Å; L22-A43 HydrophobicContact CD2-CB 4.41Å; E25-A43 VanDerWaalsContact OE2-CB 3.24Å; E25-A43 WeakPolarHBondContact OE2-CB 3.05Å; E39-A43 WeakPolarHBondContact O-CB 3.02Å; E39-A43 PolarHBondContact O-N 2.62Å; R41-A43 PolarHBondContact O-N 3.01Å
44G81.8Confident86.6Confident45 Ų4560.9 Ų60.946%0.46433%0.33SS..THydrogen-bonded Turntrans98.813.7179.500000115.7R41 D42 E46R41-G44 WeakPolarHBondContact O-CA 3.28Å; R41-G44 PolarHBondContact O-N 3.1Å; D42-G44 PolarHBondContact O-N 2.69Å; G44-E46 PolarHBondContact O-N 3.05Å
45I88.9Confident87Confident0 Ų057.7 Ų57.70%032%0.32CS..  trans-86.879170-49.6-169.9000108.8Y18 L22 L40 D47 H50 R51 I54Y18-I45 HydrophobicContact CD1-CB 4.47Å; Y18-I45 HydrophobicContact CD1-CD1 4.02Å; Y18-I45 HydrophobicContact CD1-CG1 3.73Å; Y18-I45 HydrophobicContact CD1-CG2 4.34Å; Y18-I45 HydrophobicContact CD2-CD1 4.17Å; Y18-I45 HydrophobicContact CD2-CG2 4.35Å; Y18-I45 HydrophobicContact CE1-CB 4.35Å; Y18-I45 HydrophobicContact CE1-CG1 4.1Å; Y18-I45 HydrophobicContact CE1-CG2 3.98Å; Y18-I45 HydrophobicContact CE2-CG2 4.01Å; Y18-I45 HydrophobicContact CG-CD1 3.75Å; Y18-I45 HydrophobicContact CG-CG1 4.02Å; L22-I45 HydrophobicContact CD1-CD1 4.01Å; L22-I45 HydrophobicContact CD2-CD1 4.06Å; L22-I45 HydrophobicContact CG-CD1 4.14Å; L40-I45 HydrophobicContact CD2-CD1 4.25Å; L40-I45 WeakPolarHBondContact O-CB 3.26Å; L40-I45 PolarHBondContact O-N 2.7Å; I45-D47 VanDerWaalsContact C-N 3.33Å; I45-D47 PolarHBondContact O-N 3.48Å; I45-H50 HydrophobicContact CG2-CB 4.14Å; I45-R51 HydrophobicContact CB-CG 3.94Å; I45-R51 HydrophobicContact CG2-CG 3.63Å; I45-R51 WeakPolarHBondContact O-CD 3.43Å; I45-R51 WeakPolarHBondContact O-CG 3.27Å; I45-R51 PolarHBondContact O-NH1 3.11Å; I45-I54 HydrophobicContact CD1-CD1 3.66Å
46E83.9Confident87.2Confident164 Ų16461 Ų6177%0.76634%0.34SS*.  trans-69.8-27.1-175-61.9-165.1148.200113.9G44 A48 R51G44-E46 PolarHBondContact O-N 3.05Å; E46-A48 PolarHBondContact O-N 3.07Å; E46-R51 PolarHBondContact O-NH1 3.41Å
47D89.9Confident87.2Confident66 Ų6659.8 Ų59.835%0.35333%0.329SS..  trans-69.9118.6178-167.2-42.1000111.6I45 T49 H50 R51I45-D47 VanDerWaalsContact C-N 3.33Å; I45-D47 PolarHBondContact O-N 3.48Å; D47-T49 PolarHBondContact O-N 2.67Å; D47-T49 WeakPolarHBondContact OD1-CB 3.45Å; D47-T49 PolarHBondContact OD1-N 2.81Å; D47-T49 PolarHBondContact OD1-OG1 3.42Å; D47-H50 HydrophobicContact CB-CB 4.15Å; D47-H50 WeakPolarHBondContact CB-ND1 3.41Å; D47-H50 PolarHBondContact O-N 3Å; D47-H50 PolarHBondContact OD1-N 3.21Å; D47-H50 IonicContact OD2-CE1 3.44Å; D47-H50 PolarHBondContact OD2-CE1 3.48Å; D47-H50 IonicContact OD2-ND1 3.5Å; D47-R51 WeakPolarHBondContact O-CG 3.46Å; D47-R51 PolarHBondContact O-N 3.05Å; D47-R51 VanDerWaalsContact O-N 3.15Å; D47-R51 PolarHBondContact O-NH1 3.16Å
48A85Confident87.3Confident56 Ų5656.6 Ų56.646%0.46331%0.312SS..Hα-helixtrans-65.8-35.1-179.500000113E46 R51 E52E46-A48 PolarHBondContact O-N 3.07Å; A48-R51 PolarHBondContact O-N 2.9Å; A48-E52 WeakPolarHBondContact O-CB 3.42Å; A48-E52 PolarHBondContact O-N 3.4Å
49T88.6Confident87.4Confident83 Ų8357.3 Ų57.351%0.50931%0.312SS..Hα-helixtrans-69.1-37.1-178.969.60000111.1D47 T53D47-T49 PolarHBondContact O-N 2.67Å; D47-T49 WeakPolarHBondContact OD1-CB 3.45Å; D47-T49 PolarHBondContact OD1-N 2.81Å; D47-T49 PolarHBondContact OD1-OG1 3.42Å; T49-T53 WeakPolarHBondContact O-CB 3.34Å; T49-T53 PolarHBondContact O-N 3.49Å; T49-T53 PolarHBondContact O-OG1 3.41Å
50H91.1Very high87.2Confident45 Ų4562.7 Ų62.721%0.20833%0.33CS..Hα-helixtrans-70.2-40.2174.6-62.2153.5000112L15 Y18 I45 D47 T53 I54L15-H50 HydrophobicContact CD1-CB 4.03Å; L15-H50 HydrophobicContact CD2-CB 4.34Å; L15-H50 WeakPolarHBondContact CD2-CD2 2.89Å; Y18-H50 HydrophobicContact CE2-CB 3.81Å; Y18-H50 AromaticContact CE2-CG 3.87Å; Y18-H50 AromaticContact CE2-ND1 3.62Å; Y18-H50 AromaticContact CZ-ND1 3.72Å; Y18-H50 PolarHBondContact OH-ND1 3.15Å; I45-H50 HydrophobicContact CG2-CB 4.14Å; D47-H50 HydrophobicContact CB-CB 4.15Å; D47-H50 WeakPolarHBondContact CB-ND1 3.41Å; D47-H50 PolarHBondContact O-N 3Å; D47-H50 PolarHBondContact OD1-N 3.21Å; D47-H50 IonicContact OD2-CE1 3.44Å; D47-H50 PolarHBondContact OD2-CE1 3.48Å; D47-H50 IonicContact OD2-ND1 3.5Å; H50-T53 PolarHBondContact O-N 2.9Å; H50-I54 WeakPolarHBondContact O-CD1 3.45Å; H50-I54 WeakPolarHBondContact O-CG1 3.3Å; H50-I54 PolarHBondContact O-N 3.48Å
51R92.4Very high86.8Confident20 Ų2063.3 Ų63.38%0.07533%0.334CS..Hα-helixtrans-63-45.1173.1-67.7-162.6-52.2-76.6-3.7111.9D37 L40 I45 E46 D47 A48 T53 I54 L55D37-R51 VanDerWaalsContact CG-NE 3.31Å; D37-R51 WeakPolarHBondContact O-CD 3.32Å; D37-R51 WeakPolarHBondContact OD1-CB 3.5Å; D37-R51 IonicContact OD1-CZ 3.1Å; D37-R51 IonicContact OD1-NE 3.11Å; D37-R51 PolarHBondContact OD1-NE 3.01Å; D37-R51 IonicContact OD1-NH2 3.32Å; D37-R51 PolarHBondContact OD1-NH2 3.35Å; D37-R51 IonicContact OD2-CZ 2.62Å; D37-R51 IonicContact OD2-NE 2.7Å; D37-R51 PolarHBondContact OD2-NE 3.21Å; D37-R51 IonicContact OD2-NH2 2.69Å; D37-R51 PolarHBondContact OD2-NH2 2.95Å; L40-R51 HydrophobicContact CB-CG 3.9Å; L40-R51 HydrophobicContact CD1-CB 4.3Å; L40-R51 HydrophobicContact CD1-CG 4.39Å; I45-R51 HydrophobicContact CB-CG 3.94Å; I45-R51 HydrophobicContact CG2-CG 3.63Å; I45-R51 WeakPolarHBondContact O-CD 3.43Å; I45-R51 WeakPolarHBondContact O-CG 3.27Å; I45-R51 PolarHBondContact O-NH1 3.11Å; E46-R51 PolarHBondContact O-NH1 3.41Å; D47-R51 WeakPolarHBondContact O-CG 3.46Å; D47-R51 PolarHBondContact O-N 3.05Å; D47-R51 VanDerWaalsContact O-N 3.15Å; D47-R51 PolarHBondContact O-NH1 3.16Å; A48-R51 PolarHBondContact O-N 2.9Å; R51-T53 VanDerWaalsContact C-N 3.34Å; R51-T53 PolarHBondContact O-N 3.36Å; R51-I54 PolarHBondContact O-N 3.43Å; R51-L55 WeakPolarHBondContact O-CB 3.19Å; R51-L55 VanDerWaalsContact O-CG 3.26Å; R51-L55 WeakPolarHBondContact O-CG 3.35Å; R51-L55 PolarHBondContact O-N 2.81Å
52E89.8Confident86.7Confident127 Ų12759.4 Ų59.459%0.59332%0.319SS*.Hα-helixtrans-61.1-42.1176.3-174.8169.7-154.900111.8A48 I54 L55 T56A48-E52 WeakPolarHBondContact O-CB 3.42Å; A48-E52 PolarHBondContact O-N 3.4Å; E52-I54 PolarHBondContact O-N 2.88Å; E52-L55 PolarHBondContact O-N 2.89Å; E52-T56 HydrophobicContact CG-CG2 4.2Å; E52-T56 WeakPolarHBondContact O-CB 3.45Å; E52-T56 VanDerWaalsContact O-CG2 3.27Å; E52-T56 WeakPolarHBondContact O-CG2 3.49Å; E52-T56 PolarHBondContact O-N 2.73Å; E52-T56 PolarHBondContact O-OG1 3.37Å
53T90.4Very high86.3Confident59 Ų5960 Ų6036%0.36232%0.318SS..Hα-helixtrans-61.3-43175-59.20000112.2L15 T49 H50 R51 T56 Q57L15-T53 HydrophobicContact CD1-CG2 4.06Å; T49-T53 WeakPolarHBondContact O-CB 3.34Å; T49-T53 PolarHBondContact O-N 3.49Å; T49-T53 PolarHBondContact O-OG1 3.41Å; H50-T53 PolarHBondContact O-N 2.9Å; R51-T53 VanDerWaalsContact C-N 3.34Å; R51-T53 PolarHBondContact O-N 3.36Å; T53-T56 PolarHBondContact O-OG1 3.48Å; T53-Q57 PolarHBondContact O-N 3.45Å
54I90.1Very high86Confident0 Ų067.1 Ų67.10%034%0.342CS..Hα-helixtrans-63.5-51175.3-73.6160.3000110.5W9 I13 L15 L40 I45 H50 R51 E52 T56 Q57 L58W9-I54 HydrophobicContact CH2-CG2 4.12Å; W9-I54 HydrophobicContact CZ3-CG2 4.33Å; I13-I54 HydrophobicContact CD1-CG1 3.74Å; L15-I54 HydrophobicContact CD1-CD1 4.13Å; L15-I54 HydrophobicContact CD1-CG1 3.9Å; L40-I54 HydrophobicContact CD1-CB 4.15Å; L40-I54 HydrophobicContact CD1-CG2 3.66Å; L40-I54 HydrophobicContact CD2-CG2 4.24Å; I45-I54 HydrophobicContact CD1-CD1 3.66Å; H50-I54 WeakPolarHBondContact O-CD1 3.45Å; H50-I54 WeakPolarHBondContact O-CG1 3.3Å; H50-I54 PolarHBondContact O-N 3.48Å; R51-I54 PolarHBondContact O-N 3.43Å; E52-I54 PolarHBondContact O-N 2.88Å; I54-T56 PolarHBondContact O-N 2.86Å; I54-Q57 PolarHBondContact O-N 3.26Å; I54-L58 HydrophobicContact CG2-CD1 3.6Å; I54-L58 HydrophobicContact CG2-CG 4.44Å; I54-L58 WeakPolarHBondContact O-CB 3.24Å; I54-L58 WeakPolarHBondContact O-CD1 3.49Å; I54-L58 VanDerWaalsContact O-CG 3.23Å; I54-L58 WeakPolarHBondContact O-CG 3.27Å; I54-L58 PolarHBondContact O-N 2.97Å
55L89.6Confident85.3Confident38 Ų3869.3 Ų69.320%0.19934%0.343CS..Hα-helixtrans-65.2-41.7-176.4-68.8169.8000112.6V35 D37 L40 R51 E52 L58 S59V35-L55 HydrophobicContact CG1-CD2 4.17Å; V35-L55 WeakPolarHBondContact O-CD2 3.26Å; D37-L55 HydrophobicContact CB-CD1 3.83Å; L40-L55 HydrophobicContact CD1-CD1 4.36Å; L40-L55 HydrophobicContact CD1-CD2 3.83Å; L40-L55 HydrophobicContact CD1-CG 3.78Å; R51-L55 WeakPolarHBondContact O-CB 3.19Å; R51-L55 VanDerWaalsContact O-CG 3.26Å; R51-L55 WeakPolarHBondContact O-CG 3.35Å; R51-L55 PolarHBondContact O-N 2.81Å; E52-L55 PolarHBondContact O-N 2.89Å; L55-L58 PolarHBondContact O-N 2.93Å; L55-S59 WeakPolarHBondContact O-CB 3.4Å; L55-S59 PolarHBondContact O-N 3.16Å
56T89.6Confident83.9Confident74 Ų7473.4 Ų73.445%0.45437%0.365SS..Hα-helixtrans-65.3-42.4177.9510000111.6E52 T53 I54 S59 R60E52-T56 HydrophobicContact CG-CG2 4.2Å; E52-T56 WeakPolarHBondContact O-CB 3.45Å; E52-T56 VanDerWaalsContact O-CG2 3.27Å; E52-T56 WeakPolarHBondContact O-CG2 3.49Å; E52-T56 PolarHBondContact O-N 2.73Å; E52-T56 PolarHBondContact O-OG1 3.37Å; T53-T56 PolarHBondContact O-OG1 3.48Å; I54-T56 PolarHBondContact O-N 2.86Å; T56-S59 WeakPolarHBondContact O-CB 3.46Å; T56-S59 PolarHBondContact O-N 3.5Å; T56-R60 WeakPolarHBondContact O-CG 3.34Å; T56-R60 PolarHBondContact O-N 3.27Å
57Q89.1Confident82.5Confident48 Ų4871 Ų7122%0.22436%0.363CS..Hα-helixtrans-67.7-40.8175.1-170.876.6-24.800112.2W9 I13 T53 I54 S59 R60 D61W9-Q57 HydrophobicContact CH2-CB 4.43Å; W9-Q57 HydrophobicContact CZ2-CB 3.86Å; W9-Q57 HydrophobicContact CZ2-CG 3.71Å; I13-Q57 HydrophobicContact CG2-CB 4Å; I13-Q57 HydrophobicContact CG2-CG 3.65Å; T53-Q57 PolarHBondContact O-N 3.45Å; I54-Q57 PolarHBondContact O-N 3.26Å; Q57-S59 PolarHBondContact O-N 3.22Å; Q57-R60 PolarHBondContact O-N 3.12Å; Q57-R60 VanDerWaalsContact O-N 3.1Å; Q57-D61 PolarHBondContact O-N 3.18Å
58L88.4Confident80.7Confident1 Ų175.5 Ų75.51%0.00539%0.386CS..Hα-helixtrans-64.1-27.6174.3-66.7166.1000112.2W9 L29 L32 L33 V35 I54 L55 R62W9-L58 HydrophobicContact CH2-CD1 4.12Å; W9-L58 HydrophobicContact CH2-CD2 3.63Å; W9-L58 HydrophobicContact CH2-CG 3.54Å; W9-L58 HydrophobicContact CZ2-CD2 3.47Å; W9-L58 VanDerWaalsContact CZ2-CD2 3.47Å; W9-L58 HydrophobicContact CZ2-CG 3.65Å; W9-L58 HydrophobicContact CZ3-CD2 4.36Å; L29-L58 HydrophobicContact CD1-CD2 4.07Å; L32-L58 HydrophobicContact CD2-CD1 4.16Å; L32-L58 HydrophobicContact CD2-CD2 4.4Å; L32-L58 HydrophobicContact CG-CD1 3.96Å; L32-L58 WeakPolarHBondContact O-CD1 3.33Å; L33-L58 HydrophobicContact CD1-CD2 4.43Å; V35-L58 HydrophobicContact CG1-CD1 3.83Å; I54-L58 HydrophobicContact CG2-CD1 3.6Å; I54-L58 HydrophobicContact CG2-CG 4.44Å; I54-L58 WeakPolarHBondContact O-CB 3.24Å; I54-L58 WeakPolarHBondContact O-CD1 3.49Å; I54-L58 VanDerWaalsContact O-CG 3.23Å; I54-L58 WeakPolarHBondContact O-CG 3.27Å; I54-L58 PolarHBondContact O-N 2.97Å; L55-L58 PolarHBondContact O-N 2.93Å; L58-R62 WeakPolarHBondContact O-CB 3.32Å; L58-R62 VanDerWaalsContact O-CG 3.32Å; L58-R62 WeakPolarHBondContact O-CG 3.48Å; L58-R62 PolarHBondContact O-N 2.98Å; L58-R62 PolarHBondContact O-NE 3.42Å
59S83.1Confident78.9Confident50 Ų5077.2 Ų77.235%0.3540%0.395SS..Hα-helixtrans-69.1-44.1170.3-170.20000111.5L55 T56 Q57 D61 R62 Q63L55-S59 WeakPolarHBondContact O-CB 3.4Å; L55-S59 PolarHBondContact O-N 3.16Å; T56-S59 WeakPolarHBondContact O-CB 3.46Å; T56-S59 PolarHBondContact O-N 3.5Å; Q57-S59 PolarHBondContact O-N 3.22Å; S59-D61 PolarHBondContact O-N 3.15Å; S59-R62 WeakPolarHBondContact O-CB 3.48Å; S59-R62 PolarHBondContact O-N 3.22Å; S59-Q63 WeakPolarHBondContact O-CG 3.23Å; S59-Q63 PolarHBondContact O-N 2.86Å
60R82.8Confident76.4Confident151 Ų15180.4 Ų80.457%0.5741%0.409SS*.Hα-helixtrans-65.1-36.2175.5-65.4-179.177.9162.97.1113T56 Q57 R64T56-R60 WeakPolarHBondContact O-CG 3.34Å; T56-R60 PolarHBondContact O-N 3.27Å; Q57-R60 PolarHBondContact O-N 3.12Å; Q57-R60 VanDerWaalsContact O-N 3.1Å; R60-R64 WeakPolarHBondContact O-CD 3.43Å; R60-R64 VanDerWaalsContact O-CG 3.31Å; R60-R64 WeakPolarHBondContact O-CG 3.48Å; R60-R64 PolarHBondContact O-N 3.06Å
61D79Confident74.1Confident14 Ų1485 Ų858%0.07544%0.435CS..Hα-helixtrans-75-28.3175-76.5-25.2000112.2W9 Q57 S59 R64 L65W9-D61 PolarHBondContact NE1-OD2 3.27Å; Q57-D61 PolarHBondContact O-N 3.18Å; S59-D61 PolarHBondContact O-N 3.15Å; D61-R64 WeakPolarHBondContact OD1-CD 3.32Å; D61-R64 IonicContact OD1-CZ 3.78Å; D61-R64 IonicContact OD1-NH1 2.74Å; D61-R64 PolarHBondContact OD1-NH1 2.86Å; D61-L65 WeakPolarHBondContact O-CD1 3.43Å; D61-L65 WeakPolarHBondContact O-CG 3.26Å; D61-L65 PolarHBondContact O-N 3.41Å
62R83.2Confident71.5Confident74 Ų7494.6 Ų94.628%0.27947%0.471SS..Hα-helixtrans-63.6-50.8165.5-82.9174.2-84.3-165.4-13.2112.1L33 L58 S59 R64 L65 D66L33-R62 HydrophobicContact CD1-CG 3.76Å; L33-R62 HydrophobicContact CD2-CG 4.18Å; L33-R62 HydrophobicContact CG-CG 3.72Å; L33-R62 WeakPolarHBondContact O-CD 3.38Å; L33-R62 PolarHBondContact O-NE 3.31Å; L33-R62 PolarHBondContact O-NH1 2.97Å; L33-R62 PolarHBondContact O-NH2 3.03Å; L58-R62 WeakPolarHBondContact O-CB 3.32Å; L58-R62 VanDerWaalsContact O-CG 3.32Å; L58-R62 WeakPolarHBondContact O-CG 3.48Å; L58-R62 PolarHBondContact O-N 2.98Å; L58-R62 PolarHBondContact O-NE 3.42Å; S59-R62 WeakPolarHBondContact O-CB 3.48Å; S59-R62 PolarHBondContact O-N 3.22Å; R62-R64 PolarHBondContact O-N 3.03Å; R62-R64 VanDerWaalsContact O-N 3.13Å; R62-L65 PolarHBondContact O-N 3.1Å; R62-D66 PolarHBondContact O-N 3.25Å
63Q74.4Confident69.1Low132 Ų13294.6 Ų94.662%0.61748%0.479SS*.Hα-helixtrans-60.9-22.1178.3-72.1175.8-16.300113.9S59S59-Q63 WeakPolarHBondContact O-CG 3.23Å; S59-Q63 PolarHBondContact O-N 2.86Å
64R75Confident66.6Low163 Ų16396.3 Ų96.362%0.61549%0.489SS*.THydrogen-bonded Turntrans-80.2-20.8172.5-77.6166.3165.2166.2-3.6114.1R60 D61 R62R60-R64 WeakPolarHBondContact O-CD 3.43Å; R60-R64 VanDerWaalsContact O-CG 3.31Å; R60-R64 WeakPolarHBondContact O-CG 3.48Å; R60-R64 PolarHBondContact O-N 3.06Å; D61-R64 WeakPolarHBondContact OD1-CD 3.32Å; D61-R64 IonicContact OD1-CZ 3.78Å; D61-R64 IonicContact OD1-NH1 2.74Å; D61-R64 PolarHBondContact OD1-NH1 2.86Å; R62-R64 PolarHBondContact O-N 3.03Å; R62-R64 VanDerWaalsContact O-N 3.13Å
65L67.6Low64Low91 Ų91105.5 Ų105.548%0.47653%0.529SS..THydrogen-bonded Turntrans-91.1-36.3-177.6-73.4166.7000112M1 L33 D61 R62M1-L65 HydrophobicContact CE-CD1 4.15Å; M1-L65 HydrophobicContact CE-CD2 4.13Å; M1-L65 HydrophobicContact CE-CG 4.28Å; M1-L65 HydrophobicContact CG-CD2 4.28Å; L33-L65 HydrophobicContact CD2-CD1 3.94Å; D61-L65 WeakPolarHBondContact O-CD1 3.43Å; D61-L65 WeakPolarHBondContact O-CG 3.26Å; D61-L65 PolarHBondContact O-N 3.41Å; R62-L65 PolarHBondContact O-N 3.1Å
66D59.8Low61.6Low86 Ų86108.2 Ų108.246%0.4654%0.541SS..  trans-138.5101.7175.2-160.1-26.5000111.8R62 L68R62-D66 PolarHBondContact O-N 3.25Å; D66-L68 VanDerWaalsContact C-N 3.26Å; D66-L68 PolarHBondContact O-N 2.93Å; D66-L68 PolarHBondContact OD1-N 2.9Å
67P54.7Low59.2Low112 Ų112114.4 Ų114.473%0.72756%0.561SS**THydrogen-bonded Turntrans-76.80.7-178.7-18.633.5000115.7
68L50.4Low56.9Low162 Ų162113.4 Ų113.485%0.84856%0.558SS**THydrogen-bonded Turntrans-119-0.4-169.8-71.3170.1000114.6D66 D70D66-L68 VanDerWaalsContact C-N 3.26Å; D66-L68 PolarHBondContact O-N 2.93Å; D66-L68 PolarHBondContact OD1-N 2.9Å; L68-D70 PolarHBondContact O-N 3.13Å
69S47.6Very low54.9Low92 Ų92118 Ų11864%0.64359%0.591SS**  trans-83.996.9175.664.20000111.8
70D36.2Very low53.2Low150 Ų150118.6 Ų118.680%0.80259%0.585SS**  trans-75.9160.4171.8-161.39.9000112.2L68 R72L68-D70 PolarHBondContact O-N 3.13Å; D70-R72 PolarHBondContact O-N 3.23Å; D70-R72 VanDerWaalsContact O-N 3.1Å
71D43.5Very low51.7Low140 Ų140115.7 Ų115.775%0.74958%0.578SS**SBendtrans-60.4105.5-152-166.49.4000115.3
72R38.4Very low50Low223 Ų223123.2 Ų123.284%0.84261%0.607SS**  trans-138.7116.6167.9-70.6-168.7174.6-162.8-1.5111D70 V74D70-R72 PolarHBondContact O-N 3.23Å; D70-R72 VanDerWaalsContact O-N 3.1Å; R72-V74 PolarHBondContact O-N 3.23Å
73V39.4Very low47.8Very low126 Ų126124 Ų12476%0.76462%0.624SS**  trans-71.883.9178.8-175.10000111.2K75V73-K75 PolarHBondContact O-N 3.46Å
74V37.6Very low45.9Very low95 Ų95125 Ų12558%0.57664%0.639SS**  trans-77.1112.7171.4-1760000109.6R72 H76R72-V74 PolarHBondContact O-N 3.23Å; V74-H76 VanDerWaalsContact C-N 3.33Å; V74-H76 WeakPolarHBondContact CG1-NE2 3.43Å; V74-H76 PolarHBondContact O-N 3.46Å; V74-H76 VanDerWaalsContact O-N 3.1Å
75K34.4Very low43.6Very low193 Ų193120.3 Ų120.384%0.83964%0.641SS**  trans-83.373.5174.9-69.5-172.6176.6-176.40111.3V73 K77V73-K75 PolarHBondContact O-N 3.46Å; K75-K77 PolarHBondContact O-N 3.19Å
76H40Very low41.6Very low96 Ų96121.9 Ų121.944%0.44466%0.66SS.*  trans-64.6129.6163.5-67.7-56.1000109.4V74V74-H76 VanDerWaalsContact C-N 3.33Å; V74-H76 WeakPolarHBondContact CG1-NE2 3.43Å; V74-H76 PolarHBondContact O-N 3.46Å; V74-H76 VanDerWaalsContact O-N 3.1Å
77K37.8Very low40Very low203 Ų203123.6 Ų123.688%0.88368%0.678SS**  trans-95.9113.7175.3-167.9178.9-177.2-175.10108.6K75K75-K77 PolarHBondContact O-N 3.19Å
78V42.6Very low38.7Very low27 Ų27123.6 Ų123.616%0.16468%0.681CS.*  trans-78.9145.5-168.9178.50000112.3Y26 G31 R80Y26-V78 HydrophobicContact CD1-CG1 3.76Å; Y26-V78 HydrophobicContact CE1-CB 4.26Å; Y26-V78 HydrophobicContact CE1-CG1 3.67Å; G31-V78 VanDerWaalsContact O-CG1 3.26Å; G31-V78 WeakPolarHBondContact O-CG1 3.35Å; V78-R80 PolarHBondContact O-N 3.33Å; V78-R80 VanDerWaalsContact O-N 3.13Å
79S45.3Very low37.7Very low98 Ų98122.5 Ų122.569%0.68568%0.676SS**  trans-7294.5171.939.60000112.1
80R48.3Very low36.6Very low62 Ų62124.9 Ų124.923%0.23468%0.681CS.*  trans-67.2147.1163.3-76.2-169.2174.3-167.33.6111.2E25 Y26 E39 V78 Y82 S83E25-R80 VanDerWaalsContact CD-CZ 3.49Å; E25-R80 CarbonylContact O-C 3.58Å; E25-R80 WeakPolarHBondContact O-CA 3.44Å; E25-R80 IonicContact OE1-CZ 3.7Å; E25-R80 IonicContact OE1-NE 3.76Å; E25-R80 IonicContact OE1-NH1 2.79Å; E25-R80 PolarHBondContact OE1-NH1 3.22Å; E25-R80 IonicContact OE2-CZ 2.79Å; E25-R80 IonicContact OE2-NE 3.21Å; E25-R80 PolarHBondContact OE2-NE 3.27Å; E25-R80 VanDerWaalsContact OE2-NE 3.08Å; E25-R80 IonicContact OE2-NH1 3.65Å; E25-R80 PolarHBondContact OE2-NH1 2.94Å; E25-R80 IonicContact OE2-NH2 3.66Å; E25-R80 PolarHBondContact OE2-NH2 3.21Å; Y26-R80 HydrophobicContact CE1-CG 4.44Å; Y26-R80 PolarHBondContact OH-NE 3.31Å; E39-R80 PolarHBondContact O-NH2 3.25Å; V78-R80 PolarHBondContact O-N 3.33Å; V78-R80 VanDerWaalsContact O-N 3.13Å; R80-Y82 PolarHBondContact O-N 2.89Å; R80-S83 PolarHBondContact O-N 3.15Å; R80-S83 VanDerWaalsContact O-N 3.12Å
81Q50.1Low36.7Very low90 Ų90122.2 Ų122.242%0.42167%0.672SS.*THydrogen-bonded Turntrans-56.6-14.9-179.7-73-179.334.300115.4E23 S24 E25 Y26E23-Q81 PolarHBondContact O-NE2 3.25Å; S24-Q81 PolarHBondContact O-OE1 2.93Å; E25-Q81 WeakPolarHBondContact O-CG 3.3Å; E25-Q81 PolarHBondContact O-N 3.37Å; Y26-Q81 PolarHBondContact O-NE2 2.76Å
82Y44.7Very low36Very low172 Ų172124.7 Ų124.768%0.67568%0.676SS**THydrogen-bonded Turntrans-106.38.9-179-60.2-68.4000115.2R80 V84R80-Y82 PolarHBondContact O-N 2.89Å; Y82-V84 PolarHBondContact O-N 3.45Å; Y82-V84 VanDerWaalsContact O-N 3.08Å
83S36.9Very low35.5Very low92 Ų92120.7 Ų120.764%0.64367%0.671SS**  trans-7396.8168.4-76.20000110.6R80 G85R80-S83 PolarHBondContact O-N 3.15Å; R80-S83 VanDerWaalsContact O-N 3.12Å; S83-G85 PolarHBondContact O-N 2.95Å
84V33.9Very low35Very low153 Ų153121.7 Ų121.793%0.92767%0.671SS**  trans-67.898.5178.1-177.60000110.1Y82Y82-V84 PolarHBondContact O-N 3.45Å; Y82-V84 VanDerWaalsContact O-N 3.08Å
85G26Very low34.5Very low64 Ų64125.6 Ų125.666%0.6668%0.681SS**SBendtrans-165.854-173.200000113.8S83S83-G85 PolarHBondContact O-N 2.95Å
86S26.1Very low34.1Very low124 Ų124125.9 Ų125.987%0.86768%0.677SS**  trans38.288.3165.5-172.70000117.4
87S26.2Very low33.5Very low122 Ų122128.9 Ų128.985%0.85369%0.69SS**  trans-116.9123.7163.1-175.10000111.1
88S28.1Very low32.8Very low112 Ų112130 Ų13078%0.78369%0.689SS**  trans-164.7107.3156.1600000110.1
89D27.7Very low32.1Very low139 Ų139135 Ų13574%0.74372%0.72SS**  trans-152.4148.6162.2-154.84.8000112.2
90L26Very low31.1Very low141 Ų141136.6 Ų136.674%0.73872%0.72SS**  trans66.3169.9168-64.2146000116.7
91P38.1Very low30.2Very low95 Ų95139.7 Ų139.762%0.61775%0.748SS**  -144.9175.9-79.541.8-22.5000118.2
92K27.3Very low29Very low191 Ų191145.7 Ų145.783%0.8377%0.767SS**  trans79.8141.8150-77.3165-175.9176.60123.2
93D28Very low28.1Very low139 Ų139146 Ų14674%0.74378%0.779SS**  trans-8.4142.6164.7-56.3-59.4000123
94L30.5Very low27.5Very low148 Ų148150 Ų15078%0.77579%0.787SS**  175.8133.295.8-85.9177.8000115.3
95F26Very low27.1Very low177 Ų177153.1 Ų153.178%0.77678%0.782SS**  trans54.7129.6149.1-80.3-55.1000126.9
96R27.1Very low27.2Very low199 Ų199156.8 Ų156.875%0.75179%0.785SS**  97114.6129.5-85.5-177.8-177.8-164.8-0.1122.6
97H27Very low27.3Very low158 Ų158157.8 Ų157.873%0.73178%0.781SS**  trans69.8151.2149.3-60.7-49.7000116.9
98R23.7Very low27.3Very low227 Ų227161.6 Ų161.686%0.85778%0.782SS**  cis-159.5128.112.3-137.7177.3-157.7-162.37.3107.9
99V27.1Very low27.2Very low132 Ų132165.1 Ų165.180%0.878%0.783SS**  154.1154.7108.9154.40000109.3
100L25.1Very low27.2Very low132 Ų132166.5 Ų166.569%0.69179%0.785SS**  trans-97.3156.6176.5-69.4166.8000112R102L100-R102 HydrophobicContact CD1-CG 4.49Å
101P28.5Very low27.1Very low127 Ų127170 Ų17083%0.82579%0.788SS**  -129.2133.286.415.44.6000112.1
102R24.2Very low26.7Very low216 Ų216172.4 Ų172.482%0.81580%0.795SS**  53.488.969.9-77.9-168.1172.7-178.8-0.7114.9L100L100-R102 HydrophobicContact CD1-CG 4.49Å
103L26.3Very low26.6Very low177 Ų177168.6 Ų168.693%0.92779%0.793SS**  trans-118.9160.7139.6-92.8167.8000109.1
104H24.4Very low26.6Very low176 Ų176166.1 Ų166.182%0.81579%0.791SS**  trans-155.2163-163.7-15163.9000111.2
105R26.5Very low26.4Very low220 Ų220164.2 Ų164.283%0.8379%0.79SS**  trans69.7156.4179.1-72.9178.5163.3-179.5-4.7114.9
106I26.6Very low26.3Very low140 Ų140160.6 Ų160.672%0.71879%0.786SS**  cis-144148.88.3-136.6154.9000112.2
107D28.6Very low26.3Very low146 Ų146155.5 Ų155.578%0.78178%0.781SS**  trans-71.1145.9167-95.7-65000112.3
108K27Very low26.3Very low201 Ų201156.9 Ų156.987%0.87479%0.787SS**  trans-160.2122146.3-115.1160.9-172179.50114.2
109K26Very low26.4Very low186 Ų186154.4 Ų154.481%0.80979%0.79SS**  trans-85.1149.5167.5-60.1169.8179.51730110.2
110H26.8Very low26.3Very low169 Ų169159 Ų15978%0.78279%0.793SS**  trans-164126.9134.3-103.6-89.3000106.5
111R25.2Very low26.8Very low215 Ų215158 Ų15881%0.81180%0.795SS**  55.512680.1-98.9-172.7179.9-171.81.9111.3
112L29.2Very low26.6Very low144 Ų144159.3 Ų159.375%0.75479%0.794SS**  cis-137.3153.634.1-75.3164.6000111.4
113S25Very low26.9Very low112 Ų112156.2 Ų156.278%0.78379%0.794SS**  65.9141.771.9-1320000113.3
114A28.6Very low27.2Very low86 Ų86157.3 Ų157.371%0.71179%0.794SS**  cis-146.5-170.21.400000108.3
115S25.6Very low27.3Very low108 Ų108155.5 Ų155.576%0.75579%0.79SS**  cis-161.9-173.21.3-139.90000107.6
116C24.3Very low27.4Very low101 Ų101151.9 Ų151.968%0.68279%0.788SS**  cis-151.2167.2-0-148.20000111.5
117S26.7Very low27.3Very low92 Ų92149.5 Ų149.564%0.64379%0.789SS**  trans27.5113153.156.80000119.5
118Q26.8Very low27.2Very low187 Ų187150.5 Ų150.587%0.87479%0.793SS**  55.5126.361.8-58.9-172.5-1600115.8
119L25.6Very low27.2Very low175 Ų175146.2 Ų146.292%0.91679%0.788SS**  -171.8138.1124.4-100.8166.4000113.7
120R24.5Very low27.2Very low229 Ų229146.6 Ų146.686%0.86479%0.793SS**  trans-148.1169.5163.4-106.6-159.9-170-149.67.9104.6
121P35.9Very low27.3Very low112 Ų112148.2 Ų148.273%0.72780%0.801SS**  cis-111.8-138.724.716.510.9000111.2
122L25Very low27.3Very low154 Ų154141.7 Ų141.781%0.80680%0.801SS**  cis-146170.213-90.8171.4000111.8
123D30.6Very low27.2Very low150 Ų150143.6 Ų143.680%0.80280%0.803SS**  trans-108.7149.2169.7-55.4-78.2000110.7
124E31.1Very low27.2Very low201 Ų201146.9 Ų146.994%0.93981%0.805SS**  trans-178.5-173.7137.3-107.7-177-162.100112.4
125D28Very low27.2Very low137 Ų137148.7 Ų148.773%0.73381%0.813SS**  trans-108.7158-143.4-109.1-39.7000118.7
126N27.4Very low27.5Very low145 Ų145152.3 Ų152.378%0.77582%0.815SS**  trans48.5137.7148.1-72-59.1000125.2
127A25Very low27.9Very low89 Ų89158.2 Ų158.274%0.73682%0.823SS**  trans119.2120.1134.200000121
128L26.5Very low28.3Very low167 Ų167162.8 Ų162.887%0.87483%0.831SS**  trans56.7100.5141-61.9172.4000123
129S26.8Very low28.9Very low111 Ų111155.7 Ų155.778%0.77680%0.802SS**  49.6113.8121-168.80000122.2
130Q27Very low29.3Very low195 Ų195151.9 Ų151.991%0.91178%0.782SS**  -162166.3121.7-111.3177.91500112.7
131E27.8Very low29.8Very low202 Ų202145.3 Ų145.394%0.94477%0.771SS**  trans-89.6148.8-170.4-62.9-172.7111.200115.1
132G25.4Very low29.7Very low78 Ų78143.2 Ų143.280%0.80476%0.763SS**  trans-153.3142.5168.300000111.1
133K26.8Very low30.4Very low184 Ų184141.9 Ų141.980%0.875%0.748SS**  trans-99.6160.5-164.4-64.5176.7179169.60115
134H26.7Very low30.9Very low181 Ų181137.6 Ų137.684%0.83872%0.723SS**  trans77.9100.7159.3-55.3-71.6000119.6
135S27.6Very low31.2Very low124 Ų124131.1 Ų131.187%0.86770%0.7SS**  -161156.498.3-167.90000111.4R137S135-R137 PolarHBondContact O-N 3.35Å
136K31.1Very low31.7Very low184 Ų184131.2 Ų131.280%0.870%0.696SS**  trans-8980.9-173.4-71.9177.6-179.6169.10112.1K138K136-K138 PolarHBondContact O-N 2.99Å
137R32.8Very low32.3Very low225 Ų225126.6 Ų126.685%0.84967%0.67SS**  trans-63.692.6162.5-96.7-176168166.1-1.9110.2S135S135-R137 PolarHBondContact O-N 3.35Å
138K35.5Very low33.1Very low189 Ų189129.9 Ų129.982%0.82267%0.668SS**  trans-125.572.1178.3-85.1-160.1168.7-161.70111.9K136K136-K138 PolarHBondContact O-N 2.99Å
139S38.8Very low33.7Very low38 Ų38128.7 Ų128.727%0.26666%0.66SS.*SBendtrans-147.4-61.3156.9-179.40000110.5S141 A142 P191S139-S141 PolarHBondContact O-N 2.9Å; S139-A142 PolarHBondContact O-N 3.29Å; S139-P191 PolarHBondContact OG-O 3.29Å
140I36.1Very low34.5Very low94 Ų94132.8 Ų132.848%0.48266%0.664SS.*THydrogen-bonded Turntrans-54-29.8-172.6-60.4170.5000114.7A142 F144I140-A142 VanDerWaalsContact C-N 3.28Å; I140-A142 PolarHBondContact O-N 3.41Å; I140-F144 HydrophobicContact CG2-CD2 3.65Å; I140-F144 HydrophobicContact CG2-CE2 3.84Å
141S33.5Very low35.2Very low91 Ų91124.4 Ų124.464%0.63663%0.63SS**Hα-helixtrans-65-24.1-173.1-167.70000114.9S139 S145S139-S141 PolarHBondContact O-N 2.9Å; S141-S145 PolarHBondContact O-N 2.92Å; S141-S145 PolarHBondContact O-OG 3.3Å
142A35.3Very low36.6Very low69 Ų69117.1 Ų117.157%0.5761%0.609SS**Hα-helixtrans-75.5-41.9-174.100000113S139 I140 S145S139-A142 PolarHBondContact O-N 3.29Å; I140-A142 VanDerWaalsContact C-N 3.28Å; I140-A142 PolarHBondContact O-N 3.41Å; A142-S145 PolarHBondContact O-OG 2.68Å
143Y39Very low38.2Very low125 Ų125124 Ų12449%0.4961%0.61SS.*Hα-helixtrans-65.9-46.8175.3-85.1-91.1000111.5S145 H146 A188 H291Y143-S145 PolarHBondContact O-N 3.07Å; Y143-H146 PolarHBondContact O-N 3.13Å; Y143-A188 WeakPolarHBondContact OH-CB 3.4Å; Y143-H291 PolarHBondContact OH-CE1 3.41Å
144F40.4Very low39.9Very low60 Ų60123.5 Ų123.526%0.26361%0.608SS.*Hα-helixtrans-69-17.6-178.5-81.3-80.5000114.3I140 K148I140-F144 HydrophobicContact CG2-CD2 3.65Å; I140-F144 HydrophobicContact CG2-CE2 3.84Å; F144-K148 WeakPolarHBondContact O-CB 3.32Å; F144-K148 WeakPolarHBondContact O-CG 3.48Å; F144-K148 PolarHBondContact O-N 3.17Å
145S37.7Very low42.1Very low65 Ų65118.7 Ų118.746%0.45559%0.586SS.*Hα-helixtrans-70.8-28174.733.90000114.3S141 A142 Y143S141-S145 PolarHBondContact O-N 2.92Å; S141-S145 PolarHBondContact O-OG 3.3Å; A142-S145 PolarHBondContact O-OG 2.68Å; Y143-S145 PolarHBondContact O-N 3.07Å
146H39Very low44.3Very low140 Ų140115.7 Ų115.765%0.64856%0.559SS**Hα-helixtrans-73.5-48.3176.7-153.7-114.7000110.5Y143 K148 M149 E293Y143-H146 PolarHBondContact O-N 3.13Å; H146-K148 VanDerWaalsContact C-N 3.3Å; H146-K148 PolarHBondContact O-N 3.27Å; H146-M149 PolarHBondContact O-N 2.98Å; H146-E293 IonicContact CE1-OE2 2.69Å
147L40.2Very low46.3Very low47 Ų47111.8 Ų111.825%0.24655%0.547CS..Hα-helixtrans-67.4-28.2-176.9-150.164.6000113.1M149 G151 M156 L159 L282L147-M149 VanDerWaalsContact C-N 3.31Å; L147-M149 PolarHBondContact O-N 3.31Å; L147-G151 PolarHBondContact O-N 3.33Å; L147-M156 HydrophobicContact CD2-CE 3.86Å; L147-M156 HydrophobicContact CG-CE 4.02Å; L147-L159 HydrophobicContact CD2-CD1 4.04Å; L147-L282 HydrophobicContact CD2-CD2 4.21Å
148K40.8Very low48.6Very low159 Ų159106.2 Ų106.269%0.69153%0.533SS*.THydrogen-bonded Turntrans-72.9-11.4177.1-86.2-175.6173-1770115.7F144 H146F144-K148 WeakPolarHBondContact O-CB 3.32Å; F144-K148 WeakPolarHBondContact O-CG 3.48Å; F144-K148 PolarHBondContact O-N 3.17Å; H146-K148 VanDerWaalsContact C-N 3.3Å; H146-K148 PolarHBondContact O-N 3.27Å
149M40Very low50.8Low141 Ų14197.9 Ų97.970%0.69550%0.497SS*.THydrogen-bonded Turntrans-83.7-13.5-177.2-71.4-58.5-58.100114.2H146 L147H146-M149 PolarHBondContact O-N 2.98Å; L147-M149 VanDerWaalsContact C-N 3.31Å; L147-M149 PolarHBondContact O-N 3.31Å
150F44.1Very low52.9Low198 Ų198101.8 Ų101.887%0.86851%0.509SS*.THydrogen-bonded Turntrans-131.5-28.1-179.2-71.3-82.3000114.4
151G41.8Very low55.3Low19 Ų19102.8 Ų102.820%0.19651%0.51CS..  trans-86.8119.8-175.700000115.2L147 E155L147-G151 PolarHBondContact O-N 3.33Å; G151-E155 WeakPolarHBondContact CA-OE2 3.37Å
152G57.2Low57.9Low48 Ų48100.7 Ų100.750%0.49549%0.491SS..  trans-74.2167.7169.300000112.7K154 E155G152-K154 PolarHBondContact O-N 3.44Å; G152-E155 WeakPolarHBondContact O-CB 3.31Å; G152-E155 PolarHBondContact O-N 3.02Å
153R58Low60.3Low223 Ų22398.5 Ų98.584%0.84247%0.469SS*.Hα-helixtrans-45.1-45-179.1-86-169176.9-139.45.9113.6E155 M156 D157R153-E155 PolarHBondContact O-N 3.44Å; R153-E155 VanDerWaalsContact O-N 3.16Å; R153-M156 WeakPolarHBondContact O-CB 3.41Å; R153-M156 PolarHBondContact O-N 2.82Å; R153-D157 PolarHBondContact O-N 3.28Å; R153-D157 VanDerWaalsContact O-OD2 3.14Å
154K61.6Low62.4Low174 Ų17496.1 Ų96.176%0.75746%0.463SS*.Hα-helixtrans-55.4-32.4179.6-64.9-176.3178-178.60113.7G152 D157 I158G152-K154 PolarHBondContact O-N 3.44Å; K154-D157 PolarHBondContact O-N 3.16Å; K154-I158 WeakPolarHBondContact O-CD1 3.34Å; K154-I158 VanDerWaalsContact O-CG1 3.22Å; K154-I158 WeakPolarHBondContact O-CG1 3.2Å; K154-I158 PolarHBondContact O-N 2.93Å
155E74.8Confident64.6Low79 Ų7998 Ų9837%0.36947%0.472SS..Hα-helixtrans-73.9-40.5178-168.2-179.6141.500111.3G151 G152 R153 D157 I158 L159G151-E155 WeakPolarHBondContact CA-OE2 3.37Å; G152-E155 WeakPolarHBondContact O-CB 3.31Å; G152-E155 PolarHBondContact O-N 3.02Å; R153-E155 PolarHBondContact O-N 3.44Å; R153-E155 VanDerWaalsContact O-N 3.16Å; E155-D157 VanDerWaalsContact C-N 3.27Å; E155-D157 PolarHBondContact O-N 3.19Å; E155-I158 PolarHBondContact O-N 3.32Å; E155-L159 WeakPolarHBondContact O-CG 3.42Å; E155-L159 PolarHBondContact O-N 2.99Å
156M71.8Confident66.9Low61 Ų6196.4 Ų96.430%0.346%0.458SS..Hα-helixtrans-61.7-37.6171.5-61.7-67.1104.400111.4L147 R153 L159 K160L147-M156 HydrophobicContact CD2-CE 3.86Å; L147-M156 HydrophobicContact CG-CE 4.02Å; R153-M156 WeakPolarHBondContact O-CB 3.41Å; R153-M156 PolarHBondContact O-N 2.82Å; M156-L159 HydrophobicContact CE-CD1 3.84Å; M156-K160 VanDerWaalsContact O-CB 3.3Å; M156-K160 WeakPolarHBondContact O-CB 3.35Å; M156-K160 PolarHBondContact O-N 3.32Å
157D74.6Confident69.1Low103 Ų10392.9 Ų92.955%0.55144%0.443SS*.Hα-helixtrans-66.3-38.2175.1-60.7-43.3000111.9R153 K154 E155 K161R153-D157 PolarHBondContact O-N 3.28Å; R153-D157 VanDerWaalsContact O-OD2 3.14Å; K154-D157 PolarHBondContact O-N 3.16Å; E155-D157 VanDerWaalsContact C-N 3.27Å; E155-D157 PolarHBondContact O-N 3.19Å; D157-K161 WeakPolarHBondContact O-CB 3.39Å; D157-K161 PolarHBondContact O-N 3.16Å
158I80.4Confident71.1Confident108 Ų10897.3 Ų97.355%0.55446%0.46SS*.Hα-helixtrans-66.5-49.5173.8-70.9161.4000111K154 E155 K160 K161 E162K154-I158 WeakPolarHBondContact O-CD1 3.34Å; K154-I158 VanDerWaalsContact O-CG1 3.22Å; K154-I158 WeakPolarHBondContact O-CG1 3.2Å; K154-I158 PolarHBondContact O-N 2.93Å; E155-I158 PolarHBondContact O-N 3.32Å; I158-K160 VanDerWaalsContact C-N 3.28Å; I158-K160 PolarHBondContact O-N 2.86Å; I158-K161 CarbonylContact O-C 3.54Å; I158-K161 WeakPolarHBondContact O-CA 3.44Å; I158-K161 WeakPolarHBondContact O-CB 3.45Å; I158-K161 PolarHBondContact O-N 2.78Å; I158-E162 PolarHBondContact O-N 3.08Å
159L81.9Confident73Confident13 Ų1392.9 Ų92.97%0.06844%0.444CS..Hα-helixtrans-62.5-35.5178.5-69.4178.7000112.1L147 E155 M156 L163 P283 V286L147-L159 HydrophobicContact CD2-CD1 4.04Å; E155-L159 WeakPolarHBondContact O-CG 3.42Å; E155-L159 PolarHBondContact O-N 2.99Å; M156-L159 HydrophobicContact CE-CD1 3.84Å; L159-L163 WeakPolarHBondContact O-CB 3.27Å; L159-L163 PolarHBondContact O-N 2.56Å; L159-P283 HydrophobicContact CD2-CG 4.15Å; L159-P283 WeakPolarHBondContact O-CG 3.37Å; L159-V286 HydrophobicContact CD2-CG2 3.7Å
160K83.3Confident74.7Confident120 Ų12089.9 Ų89.952%0.52244%0.436SS..Hα-helixtrans-64.7-41.7171.8-172.8-178-179-93.90111.4M156 I158 E164M156-K160 VanDerWaalsContact O-CB 3.3Å; M156-K160 WeakPolarHBondContact O-CB 3.35Å; M156-K160 PolarHBondContact O-N 3.32Å; I158-K160 VanDerWaalsContact C-N 3.28Å; I158-K160 PolarHBondContact O-N 2.86Å; K160-E164 IonicContact NZ-OE1 3.66Å; K160-E164 PolarHBondContact NZ-OE1 2.79Å; K160-E164 VanDerWaalsContact O-CB 3.27Å; K160-E164 WeakPolarHBondContact O-CB 3.27Å; K160-E164 WeakPolarHBondContact O-CG 3.42Å; K160-E164 PolarHBondContact O-N 3.11Å
161K86.6Confident76.2Confident115 Ų11585 Ų8550%0.542%0.423SS..Hα-helixtrans-66-41.6176.5-176.8179.7173.3-63.20112D157 I158 E164 E165D157-K161 WeakPolarHBondContact O-CB 3.39Å; D157-K161 PolarHBondContact O-N 3.16Å; I158-K161 CarbonylContact O-C 3.54Å; I158-K161 WeakPolarHBondContact O-CA 3.44Å; I158-K161 WeakPolarHBondContact O-CB 3.45Å; I158-K161 PolarHBondContact O-N 2.78Å; K161-E164 PolarHBondContact O-N 3.43Å; K161-E165 VanDerWaalsContact CE-OE1 3.26Å; K161-E165 WeakPolarHBondContact CE-OE1 3.39Å; K161-E165 IonicContact NZ-OE1 2.73Å; K161-E165 PolarHBondContact NZ-OE1 2.9Å; K161-E165 IonicContact NZ-OE2 3.17Å; K161-E165 PolarHBondContact NZ-OE2 3.48Å; K161-E165 VanDerWaalsContact NZ-OE2 3.1Å; K161-E165 WeakPolarHBondContact O-CB 3.48Å; K161-E165 WeakPolarHBondContact O-CG 3.46Å; K161-E165 PolarHBondContact O-N 3.34Å
162E86.7Confident77.6Confident48 Ų4891.1 Ų91.122%0.22445%0.447CS..Hα-helixtrans-59.9-48.1174.7-171-178.7176.100110.6I158 E165 E166 P283 R285I158-E162 PolarHBondContact O-N 3.08Å; E162-E165 PolarHBondContact O-N 2.82Å; E162-E165 VanDerWaalsContact O-N 3.16Å; E162-E166 PolarHBondContact O-N 3.14Å; E162-P283 HydrophobicContact CB-CB 4.36Å; E162-P283 HydrophobicContact CB-CG 3.7Å; E162-P283 HydrophobicContact CG-CB 3.79Å; E162-P283 HydrophobicContact CG-CG 3.67Å; E162-R285 IonicContact OE1-CZ 2.75Å; E162-R285 IonicContact OE1-NE 2.67Å; E162-R285 PolarHBondContact OE1-NE 2.74Å; E162-R285 IonicContact OE1-NH2 2.89Å; E162-R285 PolarHBondContact OE1-NH2 3.1Å; E162-R285 IonicContact OE2-CZ 3.99Å; E162-R285 IonicContact OE2-NE 2.98Å; E162-R285 IonicContact OE2-NH2 3.17Å; E162-R285 PolarHBondContact OE2-NH2 3.32Å
163L86.3Confident78.7Confident22 Ų2290.6 Ų90.612%0.11543%0.433CS..Hα-helixtrans-61.7-44.217417462.7000112.4L159 E165 E166 L167 R280 P283L159-L163 WeakPolarHBondContact O-CB 3.27Å; L159-L163 PolarHBondContact O-N 2.56Å; L163-E165 PolarHBondContact O-N 3.01Å; L163-E166 PolarHBondContact O-N 3.2Å; L163-L167 HydrophobicContact CD1-CD1 3.91Å; L163-L167 HydrophobicContact CD1-CG 4.1Å; L163-L167 HydrophobicContact CG-CD1 4.1Å; L163-L167 WeakPolarHBondContact O-CB 3.37Å; L163-L167 VanDerWaalsContact O-CG 3.3Å; L163-L167 WeakPolarHBondContact O-CG 3.3Å; L163-L167 PolarHBondContact O-N 3.37Å; L163-R280 HydrophobicContact CD1-CG 4.07Å; L163-R280 VanDerWaalsContact CD1-NH1 3.26Å; L163-P283 HydrophobicContact CB-CG 4.27Å
164E83.8Confident79.9Confident76 Ų7681 Ų8136%0.35540%0.398SS..Hα-helixtrans-63.7-24.7175.8-89.4-166.3-138.300113.3K160 K161 K168K160-E164 IonicContact NZ-OE1 3.66Å; K160-E164 PolarHBondContact NZ-OE1 2.79Å; K160-E164 VanDerWaalsContact O-CB 3.27Å; K160-E164 WeakPolarHBondContact O-CB 3.27Å; K160-E164 WeakPolarHBondContact O-CG 3.42Å; K160-E164 PolarHBondContact O-N 3.11Å; K161-E164 PolarHBondContact O-N 3.43Å; E164-K168 WeakPolarHBondContact O-CD 3.4Å; E164-K168 WeakPolarHBondContact O-CE 3.32Å; E164-K168 WeakPolarHBondContact O-CG 3.49Å; E164-K168 PolarHBondContact O-NZ 3.33Å; E164-K168 IonicContact OE2-NZ 3.52Å; E164-K168 PolarHBondContact OE2-NZ 3.45Å
165E85.9Confident81.1Confident99 Ų9978.5 Ų78.546%0.46338%0.384SS..Hα-helixtrans-85.1-39.9177.2-78.4167.3-17700111.6K161 E162 L163 L167 K168K161-E165 VanDerWaalsContact CE-OE1 3.26Å; K161-E165 WeakPolarHBondContact CE-OE1 3.39Å; K161-E165 IonicContact NZ-OE1 2.73Å; K161-E165 PolarHBondContact NZ-OE1 2.9Å; K161-E165 IonicContact NZ-OE2 3.17Å; K161-E165 PolarHBondContact NZ-OE2 3.48Å; K161-E165 VanDerWaalsContact NZ-OE2 3.1Å; K161-E165 WeakPolarHBondContact O-CB 3.48Å; K161-E165 WeakPolarHBondContact O-CG 3.46Å; K161-E165 PolarHBondContact O-N 3.34Å; E162-E165 PolarHBondContact O-N 2.82Å; E162-E165 VanDerWaalsContact O-N 3.16Å; L163-E165 PolarHBondContact O-N 3.01Å; E165-L167 VanDerWaalsContact C-N 3.33Å; E165-L167 PolarHBondContact O-N 3.24Å; E165-K168 PolarHBondContact O-N 2.92Å; E165-K168 VanDerWaalsContact O-N 3.17Å
166E87.1Confident81.6Confident32 Ų3275.6 Ų75.615%0.1537%0.372CS..Hα-helixtrans-59.1-41.8169.5-69.5180148.200112E162 L163 K168 L169 S176 R280 P283 L284E162-E166 PolarHBondContact O-N 3.14Å; L163-E166 PolarHBondContact O-N 3.2Å; E166-K168 PolarHBondContact O-N 2.85Å; E166-L169 WeakPolarHBondContact O-CB 3.41Å; E166-L169 WeakPolarHBondContact O-CD1 3.38Å; E166-L169 VanDerWaalsContact O-CG 3.24Å; E166-L169 WeakPolarHBondContact O-CG 3.43Å; E166-L169 PolarHBondContact O-N 2.88Å; E166-S176 WeakPolarHBondContact O-CA 3.47Å; E166-R280 IonicContact OE2-CZ 3.35Å; E166-R280 IonicContact OE2-NH1 3.41Å; E166-R280 PolarHBondContact OE2-NH1 3.27Å; E166-R280 IonicContact OE2-NH2 3.47Å; E166-R280 PolarHBondContact OE2-NH2 2.65Å; E166-P283 WeakPolarHBondContact OE2-CA 3.45Å; E166-L284 PolarHBondContact OE1-N 2.84Å; E166-L284 VanDerWaalsContact OE1-N 3.09Å; E166-L284 PolarHBondContact OE2-N 3.05Å
167L84.2Confident82.3Confident66 Ų6673.9 Ų73.935%0.34636%0.363SS..THydrogen-bonded Turntrans-73.6-6.5178.8-65.7177.2000114.1L163 E165 S176 A178L163-L167 HydrophobicContact CD1-CD1 3.91Å; L163-L167 HydrophobicContact CD1-CG 4.1Å; L163-L167 HydrophobicContact CG-CD1 4.1Å; L163-L167 WeakPolarHBondContact O-CB 3.37Å; L163-L167 VanDerWaalsContact O-CG 3.3Å; L163-L167 WeakPolarHBondContact O-CG 3.3Å; L163-L167 PolarHBondContact O-N 3.37Å; E165-L167 VanDerWaalsContact C-N 3.33Å; E165-L167 PolarHBondContact O-N 3.24Å; L167-S176 WeakPolarHBondContact CD2-O 3.48Å; L167-A178 HydrophobicContact CD2-CB 3.86Å
168K82Confident82.9Confident140 Ų14069.9 Ų69.961%0.60935%0.345SS*.THydrogen-bonded Turntrans-96.55174.3-72.3163.3-162.2151.70113E164 E165 E166E164-K168 WeakPolarHBondContact O-CD 3.4Å; E164-K168 WeakPolarHBondContact O-CE 3.32Å; E164-K168 WeakPolarHBondContact O-CG 3.49Å; E164-K168 PolarHBondContact O-NZ 3.33Å; E164-K168 IonicContact OE2-NZ 3.52Å; E164-K168 PolarHBondContact OE2-NZ 3.45Å; E165-K168 PolarHBondContact O-N 2.92Å; E165-K168 VanDerWaalsContact O-N 3.17Å; E166-K168 PolarHBondContact O-N 2.85Å
169L81Confident83.5Confident66 Ų6666.1 Ų66.135%0.34632%0.323SS..SBendtrans-67.2167.1172-66171.4000111.9E166 D173 R175 S176E166-L169 WeakPolarHBondContact O-CB 3.41Å; E166-L169 WeakPolarHBondContact O-CD1 3.38Å; E166-L169 VanDerWaalsContact O-CG 3.24Å; E166-L169 WeakPolarHBondContact O-CG 3.43Å; E166-L169 PolarHBondContact O-N 2.88Å; L169-D173 HydrophobicContact CB-CB 4.41Å; L169-R175 HydrophobicContact CD1-CB 3.81Å; L169-S176 WeakPolarHBondContact O-CB 3.37Å
170S76.4Confident83.9Confident77 Ų7766.5 Ų66.554%0.53832%0.324SS..  trans-63.6147.7-179.153.90000112.1E172 D173 S176S170-E172 PolarHBondContact O-N 3.17Å; S170-D173 WeakPolarHBondContact O-CB 3.18Å; S170-D173 PolarHBondContact O-N 2.81Å; S170-S176 WeakPolarHBondContact O-CB 3.45Å; S170-S176 PolarHBondContact O-OG 3.36Å
171T74.9Confident84.2Confident97 Ų9761.2 Ų61.260%0.59530%0.302SS*.THydrogen-bonded Turntrans-68.210.2-178.454.80000115.2H177T171-H177 PolarHBondContact O-CE1 3.18Å
172E71.6Confident84.3Confident146 Ų14655.8 Ų55.868%0.68228%0.278SS*.THydrogen-bonded Turntrans-106.5-20.4173.9-60.3-175.6151.900111.2S170S170-E172 PolarHBondContact O-N 3.17Å
173D80.7Confident84.3Confident38 Ų3856.7 Ų56.720%0.20329%0.288CS..SBendtrans-80129.4173.6-168.1-27.4000110.2L169 S170 R175 S176 H177L169-D173 HydrophobicContact CB-CB 4.41Å; S170-D173 WeakPolarHBondContact O-CB 3.18Å; S170-D173 PolarHBondContact O-N 2.81Å; D173-R175 PolarHBondContact O-N 3.26Å; D173-R175 VanDerWaalsContact OD1-CB 3.25Å; D173-R175 WeakPolarHBondContact OD1-CB 3.15Å; D173-R175 WeakPolarHBondContact OD1-CG 3.26Å; D173-R175 PolarHBondContact OD1-N 3.05Å; D173-R175 IonicContact OD1-NE 3.21Å; D173-R175 PolarHBondContact OD1-NE 3.19Å; D173-R175 IonicContact OD2-CZ 2.68Å; D173-R175 IonicContact OD2-NE 3.63Å; D173-R175 PolarHBondContact OD2-NE 3Å; D173-R175 IonicContact OD2-NH2 3.21Å; D173-R175 PolarHBondContact OD2-NH2 3.24Å; D173-S176 PolarHBondContact O-N 2.8Å; D173-S176 PolarHBondContact O-OG 3.35Å; D173-H177 PolarHBondContact O-CE1 2.97Å; D173-H177 PolarHBondContact O-ND1 3.03Å
174L83.4Confident84.3Confident22 Ų2256 Ų5612%0.11529%0.285CS..G310 helixtrans-61.9-28.6176-81.969.3000111.4S176 H177 Y180 Y211 V252 P253L174-S176 VanDerWaalsContact C-N 3.27Å; L174-S176 PolarHBondContact O-N 3.34Å; L174-H177 WeakPolarHBondContact O-CB 3.35Å; L174-H177 PolarHBondContact O-N 3.47Å; L174-Y180 HydrophobicContact CB-CD1 3.96Å; L174-Y180 HydrophobicContact CB-CD2 4.13Å; L174-Y180 HydrophobicContact CB-CE1 4.1Å; L174-Y180 HydrophobicContact CB-CE2 4.26Å; L174-Y180 HydrophobicContact CB-CG 3.95Å; L174-Y180 HydrophobicContact CD2-CD2 3.99Å; L174-Y180 HydrophobicContact CD2-CE2 3.85Å; L174-Y180 WeakPolarHBondContact O-CB 3.47Å; L174-Y180 WeakPolarHBondContact O-CD1 3.37Å; L174-Y211 HydrophobicContact CD2-CD1 4.1Å; L174-Y211 HydrophobicContact CD2-CD2 4.35Å; L174-Y211 HydrophobicContact CD2-CE1 3.73Å; L174-Y211 HydrophobicContact CD2-CE2 3.99Å; L174-Y211 HydrophobicContact CD2-CG 4.4Å; L174-V252 HydrophobicContact CD1-CB 4.33Å; L174-V252 HydrophobicContact CD2-CB 4.14Å; L174-V252 HydrophobicContact CD2-CG1 4.31Å; L174-V252 HydrophobicContact CD2-CG2 4.35Å; L174-V252 HydrophobicContact CG-CB 4.4Å; L174-P253 HydrophobicContact CD1-CG 4.42Å
175R85.4Confident84.3Confident121 Ų12155.6 Ų55.646%0.45728%0.28SS..G310 helixtrans-66.6-26-179.2-57.2179-67.4177.50.3113.5L169 D173 H177 Y180 R280 L284L169-R175 HydrophobicContact CD1-CB 3.81Å; D173-R175 PolarHBondContact O-N 3.26Å; D173-R175 VanDerWaalsContact OD1-CB 3.25Å; D173-R175 WeakPolarHBondContact OD1-CB 3.15Å; D173-R175 WeakPolarHBondContact OD1-CG 3.26Å; D173-R175 PolarHBondContact OD1-N 3.05Å; D173-R175 IonicContact OD1-NE 3.21Å; D173-R175 PolarHBondContact OD1-NE 3.19Å; D173-R175 IonicContact OD2-CZ 2.68Å; D173-R175 IonicContact OD2-NE 3.63Å; D173-R175 PolarHBondContact OD2-NE 3Å; D173-R175 IonicContact OD2-NH2 3.21Å; D173-R175 PolarHBondContact OD2-NH2 3.24Å; R175-H177 PolarHBondContact O-N 3.12Å; R175-Y180 HydrophobicContact CG-CE1 4.3Å; R175-R280 PolarHBondContact O-NH2 2.88Å; R175-L284 HydrophobicContact CB-CD1 3.8Å; R175-L284 HydrophobicContact CG-CD1 3.53Å
176S85.6Confident84.3Confident17 Ų1756.3 Ų56.312%0.11928%0.278CS..G310 helixtrans-69.3-15.317494.30000112.9E166 L167 L169 S170 D173 L174E166-S176 WeakPolarHBondContact O-CA 3.47Å; L167-S176 WeakPolarHBondContact CD2-O 3.48Å; L169-S176 WeakPolarHBondContact O-CB 3.37Å; S170-S176 WeakPolarHBondContact O-CB 3.45Å; S170-S176 PolarHBondContact O-OG 3.36Å; D173-S176 PolarHBondContact O-N 2.8Å; D173-S176 PolarHBondContact O-OG 3.35Å; L174-S176 VanDerWaalsContact C-N 3.27Å; L174-S176 PolarHBondContact O-N 3.34Å
177H86.3Confident84.2Confident25 Ų2560.9 Ų60.912%0.11630%0.3CS..  trans-96.3118.3-174.4-64.579.1000110.2T171 D173 L174 R175 W179 Y180 P253T171-H177 PolarHBondContact O-CE1 3.18Å; D173-H177 PolarHBondContact O-CE1 2.97Å; D173-H177 PolarHBondContact O-ND1 3.03Å; L174-H177 WeakPolarHBondContact O-CB 3.35Å; L174-H177 PolarHBondContact O-N 3.47Å; R175-H177 PolarHBondContact O-N 3.12Å; H177-W179 HydrophobicContact CB-CD2 3.93Å; H177-W179 HydrophobicContact CB-CE3 4.35Å; H177-W179 HydrophobicContact CB-CG 4.42Å; H177-W179 HydrophobicContact CB-CH2 4.17Å; H177-W179 HydrophobicContact CB-CZ2 3.75Å; H177-W179 HydrophobicContact CB-CZ3 4.45Å; H177-W179 AromaticContact CD2-CE2 3.65Å; H177-W179 AromaticContact CD2-CZ2 3.37Å; H177-W179 WeakPolarHBondContact CD2-CZ2 3.48Å; H177-W179 AromaticContact CD2-NE1 3.67Å; H177-W179 AromaticContact CG-CE2 3.87Å; H177-W179 AromaticContact CG-CZ2 3.61Å; H177-W179 PolarHBondContact O-N 2.72Å; H177-W179 VanDerWaalsContact O-N 3.14Å; H177-Y180 PolarHBondContact O-N 3.41Å; H177-P253 VanDerWaalsContact CE1-CG 3.5Å; H177-P253 WeakPolarHBondContact CE1-CG 3.3Å
178A88.3Confident84.2Confident20 Ų2057.9 Ų57.917%0.16528%0.284CS..THydrogen-bonded Turntrans-63.8-20.5-178.100000113.8L167 Y180 N279 R280L167-A178 HydrophobicContact CD2-CB 3.86Å; A178-Y180 VanDerWaalsContact C-N 3.31Å; A178-N279 HydrophobicContact CB-CB 3.89Å; A178-N279 VanDerWaalsContact CB-OD1 3.29Å; A178-N279 WeakPolarHBondContact CB-OD1 3.38Å; A178-N279 CarbonylContact O-C 3.53Å; A178-N279 WeakPolarHBondContact O-CA 3.42Å; A178-R280 WeakPolarHBondContact O-CG 3.41Å; A178-R280 PolarHBondContact O-N 2.89Å
179W91.6Very high84.4Confident28 Ų2851.2 Ų51.211%0.10626%0.255CS..THydrogen-bonded Turntrans-79.7-3.7173.453-109.6000115H177 H181 F199 L200 V201 V252 P253 I256 P277H177-W179 HydrophobicContact CB-CD2 3.93Å; H177-W179 HydrophobicContact CB-CE3 4.35Å; H177-W179 HydrophobicContact CB-CG 4.42Å; H177-W179 HydrophobicContact CB-CH2 4.17Å; H177-W179 HydrophobicContact CB-CZ2 3.75Å; H177-W179 HydrophobicContact CB-CZ3 4.45Å; H177-W179 AromaticContact CD2-CE2 3.65Å; H177-W179 AromaticContact CD2-CZ2 3.37Å; H177-W179 WeakPolarHBondContact CD2-CZ2 3.48Å; H177-W179 AromaticContact CD2-NE1 3.67Å; H177-W179 AromaticContact CG-CE2 3.87Å; H177-W179 AromaticContact CG-CZ2 3.61Å; H177-W179 PolarHBondContact O-N 2.72Å; H177-W179 VanDerWaalsContact O-N 3.14Å; W179-H181 PolarHBondContact O-CD2 2.83Å; W179-F199 HydrophobicContact CB-CE2 4.21Å; W179-F199 HydrophobicContact CD2-CE2 4.4Å; W179-F199 HydrophobicContact CG-CE2 4.14Å; W179-L200 WeakPolarHBondContact O-CA 3.46Å; W179-V201 HydrophobicContact CE3-CB 3.8Å; W179-V201 HydrophobicContact CE3-CG2 3.62Å; W179-V201 HydrophobicContact CZ3-CB 3.75Å; W179-V201 HydrophobicContact CZ3-CG1 4.44Å; W179-V201 HydrophobicContact CZ3-CG2 3.54Å; W179-V201 PolarHBondContact O-N 3.45Å; W179-V252 HydrophobicContact CH2-CG1 4.31Å; W179-V252 HydrophobicContact CZ3-CG1 4.45Å; W179-P253 HydrophobicContact CH2-CG 4.24Å; W179-P253 HydrophobicContact CZ2-CB 4.36Å; W179-P253 HydrophobicContact CZ2-CG 4.45Å; W179-I256 HydrophobicContact CH2-CB 4.31Å; W179-I256 HydrophobicContact CH2-CG1 3.93Å; W179-I256 HydrophobicContact CZ2-CB 4.16Å; W179-I256 HydrophobicContact CZ2-CG1 4.28Å; W179-I256 HydrophobicContact CZ2-CG2 4.1Å; W179-I256 HydrophobicContact CZ3-CG1 4.18Å; W179-P277 HydrophobicContact CB-CB 3.8Å; W179-P277 HydrophobicContact CG-CB 4.3Å
180Y91.8Very high84.7Confident21 Ų2151.8 Ų51.88%0.08226%0.256CS..BIsolated β-bridgetrans-98.2118175.5173.7-106.8000110.5L174 R175 H177 A178 V201 D203 Y211 R280 L284L174-Y180 HydrophobicContact CB-CD1 3.96Å; L174-Y180 HydrophobicContact CB-CD2 4.13Å; L174-Y180 HydrophobicContact CB-CE1 4.1Å; L174-Y180 HydrophobicContact CB-CE2 4.26Å; L174-Y180 HydrophobicContact CB-CG 3.95Å; L174-Y180 HydrophobicContact CD2-CD2 3.99Å; L174-Y180 HydrophobicContact CD2-CE2 3.85Å; L174-Y180 WeakPolarHBondContact O-CB 3.47Å; L174-Y180 WeakPolarHBondContact O-CD1 3.37Å; R175-Y180 HydrophobicContact CG-CE1 4.3Å; H177-Y180 PolarHBondContact O-N 3.41Å; A178-Y180 VanDerWaalsContact C-N 3.31Å; Y180-V201 CarbonylContact C-O 3.59Å; Y180-V201 WeakPolarHBondContact CA-O 3.47Å; Y180-V201 HydrophobicContact CD2-CB 4.3Å; Y180-V201 HydrophobicContact CD2-CG1 4.11Å; Y180-D203 PolarHBondContact OH-OD1 2.89Å; Y180-Y211 HydrophobicContact CE2-CD1 4.13Å; Y180-Y211 HydrophobicContact CE2-CE1 4.03Å; Y180-R280 WeakPolarHBondContact O-CD 3.25Å; Y180-R280 PolarHBondContact O-NE 3.43Å; Y180-L284 HydrophobicContact CD1-CD1 4.11Å; Y180-L284 HydrophobicContact CD1-CD2 4.23Å; Y180-L284 HydrophobicContact CE1-CD1 3.97Å; Y180-L284 HydrophobicContact CE1-CD2 4.45Å; Y180-L284 WeakPolarHBondContact O-CD2 3.31Å
181H88.4Confident85.2Confident10 Ų1051 Ų515%0.04625%0.249CC..  trans-104.85.4-173.4-68.6-122.5000113.5W179 L184 V201 I278 I287W179-H181 PolarHBondContact O-CD2 2.83Å; H181-L184 HydrophobicContact CB-CB 3.99Å; H181-L184 HydrophobicContact CB-CD2 3.84Å; H181-L184 HydrophobicContact CB-CG 4.5Å; H181-V201 PolarHBondContact N-O 3.05Å; H181-I278 PolarHBondContact NE2-O 2.98Å; H181-I287 WeakPolarHBondContact O-CG2 3.37Å
182G88.6Confident85.6Confident1 Ų148.9 Ų48.91%0.0123%0.234CC..SBendtrans57.8-133.3-178.900000112.5L184 R202 D203G182-L184 PolarHBondContact O-N 2.94Å; G182-R202 CarbonylContact O-C 3.55Å; G182-R202 VanDerWaalsContact O-CA 3.32Å; G182-R202 WeakPolarHBondContact O-CA 3.35Å; G182-R202 WeakPolarHBondContact O-CB 3.32Å; G182-D203 VanDerWaalsContact CA-OD2 3.28Å; G182-D203 WeakPolarHBondContact CA-OD2 3.39Å; G182-D203 PolarHBondContact O-N 3.1Å
183P86.4Confident86.4Confident67 Ų6742.9 Ų42.944%0.43521%0.206SC..SBendtrans-75.331.7-169.131.8-37.8000115.6D203P183-D203 VanDerWaalsContact N-OD2 3.13Å
184L86.9Confident86.5Confident8 Ų847.7 Ų47.74%0.04223%0.227CC..  trans-63.1134.6173.8-169.769.9000111H181 G182 A188 A189 L192 L200 R202 I287H181-L184 HydrophobicContact CB-CB 3.99Å; H181-L184 HydrophobicContact CB-CD2 3.84Å; H181-L184 HydrophobicContact CB-CG 4.5Å; G182-L184 PolarHBondContact O-N 2.94Å; L184-A188 HydrophobicContact CD1-CB 3.59Å; L184-A188 HydrophobicContact CG-CB 4.18Å; L184-A189 HydrophobicContact CD2-CB 3.86Å; L184-A189 HydrophobicContact CG-CB 4.42Å; L184-L192 HydrophobicContact CD2-CD1 4.03Å; L184-L200 HydrophobicContact CD2-CD1 3.97Å; L184-L200 HydrophobicContact CD2-CD2 4.02Å; L184-R202 HydrophobicContact CB-CB 4.02Å; L184-R202 WeakPolarHBondContact O-CD 3.42Å; L184-R202 PolarHBondContact O-NH1 3.24Å; L184-I287 HydrophobicContact CB-CG2 4.36Å; L184-I287 HydrophobicContact CD1-CG2 4.02Å
185R83.9Confident86.6Confident67 Ų6749.8 Ų49.825%0.25324%0.244SC..  trans-83.8167.3177-56.9-168.5-176.6117.716.2112.2E187 A188 A189 H291R185-E187 VanDerWaalsContact CB-OE2 3.23Å; R185-E187 WeakPolarHBondContact CB-OE2 3.49Å; R185-E187 PolarHBondContact O-N 3.41Å; R185-A188 PolarHBondContact O-N 3.17Å; R185-A189 PolarHBondContact O-N 3.21Å; R185-A189 VanDerWaalsContact O-N 3.11Å; R185-H291 VanDerWaalsContact CZ-O 3.25Å; R185-H291 PolarHBondContact NH1-O 3.24Å; R185-H291 PolarHBondContact NH2-O 2.83Å
186R85.4Confident86.7Confident114 Ų11447 Ų4743%0.4324%0.238SC..Hα-helixtrans-57.2-51.1177.5161.6173.5-73151.1-0.7111A188 A189 E190 H223R186-A188 PolarHBondContact O-N 2.91Å; R186-A188 VanDerWaalsContact O-N 3.13Å; R186-A189 PolarHBondContact O-N 3.08Å; R186-E190 VanDerWaalsContact CD-OE1 3.27Å; R186-E190 WeakPolarHBondContact CD-OE1 3.4Å; R186-E190 HydrophobicContact CG-CG 4.35Å; R186-E190 WeakPolarHBondContact CG-OE1 3.43Å; R186-E190 WeakPolarHBondContact O-CG 3.37Å; R186-E190 PolarHBondContact O-N 2.78Å; R186-H223 PolarHBondContact NE-CD2 3.21Å; R186-H223 PolarHBondContact NE-NE2 3.27Å; R186-H223 VanDerWaalsContact NE-NE2 3.17Å; R186-H223 PolarHBondContact NH2-CD2 3.27Å
187E84.7Confident86.6Confident128 Ų12846.2 Ų46.260%0.59823%0.232SC*.Hα-helixtrans-67.7-17.4-172.5-49.272.1-154.500111.9R185 P191R185-E187 VanDerWaalsContact CB-OE2 3.23Å; R185-E187 WeakPolarHBondContact CB-OE2 3.49Å; R185-E187 PolarHBondContact O-N 3.41Å; E187-P191 VanDerWaalsContact O-CD 3.3Å; E187-P191 WeakPolarHBondContact O-CD 3.15Å
188A84.7Confident86.9Confident3 Ų346 Ų463%0.02523%0.232CC..Hα-helixtrans-96.2-22.6175.800000113.3Y143 L184 R185 R186 L192 H291Y143-A188 WeakPolarHBondContact OH-CB 3.4Å; L184-A188 HydrophobicContact CD1-CB 3.59Å; L184-A188 HydrophobicContact CG-CB 4.18Å; R185-A188 PolarHBondContact O-N 3.17Å; R186-A188 PolarHBondContact O-N 2.91Å; R186-A188 VanDerWaalsContact O-N 3.13Å; A188-L192 WeakPolarHBondContact O-CG 3.41Å; A188-H291 VanDerWaalsContact CB-CE1 3.41Å; A188-H291 WeakPolarHBondContact CB-CE1 3.22Å; A188-H291 WeakPolarHBondContact CB-NE2 3.35Å
189A86.3Confident87.1Confident0 Ų045.2 Ų45.20%023%0.225CC..Hα-helixtrans-81.1-41.3174.100000112.2L184 R185 R186 L192 F193 L200L184-A189 HydrophobicContact CD2-CB 3.86Å; L184-A189 HydrophobicContact CG-CB 4.42Å; R185-A189 PolarHBondContact O-N 3.21Å; R185-A189 VanDerWaalsContact O-N 3.11Å; R186-A189 PolarHBondContact O-N 3.08Å; A189-L192 WeakPolarHBondContact O-CB 3.34Å; A189-L192 PolarHBondContact O-N 3.12Å; A189-F193 HydrophobicContact CB-CE2 4.49Å; A189-F193 WeakPolarHBondContact O-CD2 3.38Å; A189-F193 VanDerWaalsContact O-CE2 3.25Å; A189-F193 WeakPolarHBondContact O-CE2 3.45Å; A189-L200 HydrophobicContact CB-CD1 4.11Å; A189-L200 HydrophobicContact CB-CD2 4.2Å
190E88.1Confident87.2Confident78 Ų7843.9 Ų43.936%0.36422%0.22SC..G310 helixtrans-48.8-45.2179.2-74.1173-166.700115.2R186 L192 F193 P221 H223R186-E190 VanDerWaalsContact CD-OE1 3.27Å; R186-E190 WeakPolarHBondContact CD-OE1 3.4Å; R186-E190 HydrophobicContact CG-CG 4.35Å; R186-E190 WeakPolarHBondContact CG-OE1 3.43Å; R186-E190 WeakPolarHBondContact O-CG 3.37Å; R186-E190 PolarHBondContact O-N 2.78Å; E190-L192 PolarHBondContact O-N 3.08Å; E190-F193 WeakPolarHBondContact O-CD2 3.4Å; E190-P221 HydrophobicContact CG-CB 3.88Å; E190-P221 HydrophobicContact CG-CG 4.05Å; E190-H223 IonicContact OE1-NE2 3.9Å
191P85.3Confident87.3Confident60 Ų6042.9 Ų42.939%0.3922%0.216SC..G310 helixtrans-78.64.2178.832.4-38.1000115.2S139 E187S139-P191 PolarHBondContact OG-O 3.29Å; E187-P191 VanDerWaalsContact O-CD 3.3Å; E187-P191 WeakPolarHBondContact O-CD 3.15Å
192L84.3Confident87.5Confident53 Ų5342.9 Ų42.928%0.27722%0.215SC..G310 helixtrans-93.6-15.8176.9-58.2178.5000113.5L184 A188 A189 E190 L200 I278L184-L192 HydrophobicContact CD2-CD1 4.03Å; A188-L192 WeakPolarHBondContact O-CG 3.41Å; A189-L192 WeakPolarHBondContact O-CB 3.34Å; A189-L192 PolarHBondContact O-N 3.12Å; E190-L192 PolarHBondContact O-N 3.08Å; L192-L200 HydrophobicContact CD1-CD2 3.88Å; L192-I278 HydrophobicContact CB-CD1 4.15Å; L192-I278 HydrophobicContact CB-CG2 4.35Å; L192-I278 WeakPolarHBondContact O-CD1 3.28Å
193F87.8Confident87.5Confident19 Ų1944.7 Ų44.78%0.08323%0.225CC..  trans-80.7131.7177.8-51.8-69.7000110.7A189 E190 D198 L200 S214 F216 I278A189-F193 HydrophobicContact CB-CE2 4.49Å; A189-F193 WeakPolarHBondContact O-CD2 3.38Å; A189-F193 VanDerWaalsContact O-CE2 3.25Å; A189-F193 WeakPolarHBondContact O-CE2 3.45Å; E190-F193 WeakPolarHBondContact O-CD2 3.4Å; F193-D198 HydrophobicContact CB-CB 4.42Å; F193-D198 HydrophobicContact CD1-CB 3.82Å; F193-L200 HydrophobicContact CE1-CD2 4.49Å; F193-L200 HydrophobicContact CE1-CG 4.42Å; F193-L200 HydrophobicContact CZ-CD2 4.45Å; F193-L200 HydrophobicContact CZ-CG 4.38Å; F193-S214 WeakPolarHBondContact CE1-O 3.43Å; F193-F216 HydrophobicContact CB-CB 3.52Å; F193-F216 HydrophobicContact CB-CD2 3.98Å; F193-F216 HydrophobicContact CB-CG 3.87Å; F193-F216 HydrophobicContact CD1-CB 3.93Å; F193-F216 HydrophobicContact CD2-CB 4.22Å; F193-F216 HydrophobicContact CD2-CD2 4.44Å; F193-F216 HydrophobicContact CG-CB 3.64Å; F193-F216 HydrophobicContact CG-CD2 4.42Å; F193-F216 HydrophobicContact CG-CG 4.38Å; F193-I278 HydrophobicContact CD1-CD1 3.31Å; F193-I278 HydrophobicContact CE1-CD1 3.63Å; F193-I278 HydrophobicContact CG-CD1 4.15Å
194E82.7Confident87.5Confident140 Ų14042 Ų4265%0.65421%0.208SC*.  trans-116.6-15176-65.5-167.6165.300112.5D198E194-D198 PolarHBondContact N-OD2 3.13Å
195S85.8Confident87.1Confident66 Ų6645.4 Ų45.446%0.46223%0.232SC..SBendtrans-151.2157.3-176.5-73.90000114.4G197 D198S195-G197 PolarHBondContact O-N 3.18Å; S195-D198 PolarHBondContact N-OD2 2.89Å; S195-D198 VanDerWaalsContact O-CB 3.31Å; S195-D198 WeakPolarHBondContact O-CB 3.15Å; S195-D198 PolarHBondContact O-N 3.35Å
196D87Confident86.7Confident63 Ų6347.2 Ų47.234%0.33726%0.255SS..THydrogen-bonded Turntrans-61.8127.9171.4-91.510.6000110.3F216 W217 K218 N219D196-F216 WeakPolarHBondContact OD1-CD1 3.37Å; D196-W217 HydrophobicContact CB-CE3 4.12Å; D196-W217 HydrophobicContact CB-CZ3 4.42Å; D196-W217 VanDerWaalsContact OD1-C 3.26Å; D196-W217 VanDerWaalsContact OD1-CA 3.3Å; D196-W217 WeakPolarHBondContact OD1-CA 3.38Å; D196-K218 PolarHBondContact OD1-N 2.95Å; D196-K218 VanDerWaalsContact OD2-CA 3.32Å; D196-K218 WeakPolarHBondContact OD2-CA 3.43Å; D196-K218 PolarHBondContact OD2-N 2.97Å; D196-N219 PolarHBondContact OD1-N 2.98Å; D196-N219 VanDerWaalsContact OD1-N 3.08Å
197G85.2Confident86.3Confident0 Ų044.1 Ų44.10%025%0.249CC..THydrogen-bonded Turntrans99.8-8.1-176.400000114.4S195 F216 S275 H276S195-G197 PolarHBondContact O-N 3.18Å; G197-F216 PolarHBondContact N-O 3.38Å; G197-S275 PolarHBondContact O-N 3.39Å; G197-S275 PolarHBondContact O-OG 3.37Å; G197-H276 PolarHBondContact O-N 3.25Å
198D91.6Very high85.9Confident20 Ų2044.2 Ų44.211%0.10726%0.261CS..EExtended strand (participates in β ladder)trans-66.3137.9174.3-68.2-3.6000111.5F193 E194 S195 C215 F216 H276 I278F193-D198 HydrophobicContact CB-CB 4.42Å; F193-D198 HydrophobicContact CD1-CB 3.82Å; E194-D198 PolarHBondContact N-OD2 3.13Å; S195-D198 PolarHBondContact N-OD2 2.89Å; S195-D198 VanDerWaalsContact O-CB 3.31Å; S195-D198 WeakPolarHBondContact O-CB 3.15Å; S195-D198 PolarHBondContact O-N 3.35Å; D198-C215 CarbonylContact O-C 3.57Å; D198-C215 WeakPolarHBondContact O-CA 3.26Å; D198-C215 WeakPolarHBondContact O-CB 2.96Å; D198-F216 PolarHBondContact O-N 2.87Å; D198-H276 CarbonylContact C-O 3.59Å; D198-H276 WeakPolarHBondContact CA-O 3.36Å; D198-H276 WeakPolarHBondContact OD1-CB 3.35Å; D198-H276 IonicContact OD1-CG 3.54Å; D198-H276 IonicContact OD1-ND1 3.83Å; D198-H276 PolarHBondContact OD1-ND1 3.37Å; D198-I278 HydrophobicContact CB-CD1 4.1Å; D198-I278 HydrophobicContact CB-CG1 4.26Å
199F93.7Very high85.5Confident4 Ų447 Ų472%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-148155.9-179.379.5-87.6000115.6W179 L213 S214 C215 I256 V260 I274 H276 P277 I278W179-F199 HydrophobicContact CB-CE2 4.21Å; W179-F199 HydrophobicContact CD2-CE2 4.4Å; W179-F199 HydrophobicContact CG-CE2 4.14Å; F199-L213 HydrophobicContact CB-CD1 4.01Å; F199-L213 HydrophobicContact CD2-CD1 3.69Å; F199-L213 HydrophobicContact CG-CD1 4.22Å; F199-S214 CarbonylContact C-O 3.56Å; F199-S214 WeakPolarHBondContact CA-O 3.15Å; F199-C215 HydrophobicContact CB-CB 3.73Å; F199-I256 HydrophobicContact CE2-CG2 3.69Å; F199-I256 HydrophobicContact CZ-CG2 3.85Å; F199-V260 HydrophobicContact CE1-CG2 3.68Å; F199-V260 HydrophobicContact CZ-CG2 3.74Å; F199-I274 HydrophobicContact CB-CB 4.09Å; F199-I274 HydrophobicContact CB-CG2 3.59Å; F199-I274 HydrophobicContact CD1-CB 3.71Å; F199-I274 HydrophobicContact CD1-CD1 4.37Å; F199-I274 HydrophobicContact CD1-CG2 4.21Å; F199-I274 HydrophobicContact CD2-CD1 4.31Å; F199-I274 HydrophobicContact CE1-CB 4.35Å; F199-I274 HydrophobicContact CE1-CD1 4.5Å; F199-I274 HydrophobicContact CE2-CD1 4.46Å; F199-I274 HydrophobicContact CG-CB 3.98Å; F199-I274 HydrophobicContact CG-CD1 4.26Å; F199-I274 HydrophobicContact CG-CG2 4.03Å; F199-H276 VanDerWaalsContact CD1-O 3.23Å; F199-H276 WeakPolarHBondContact CD1-O 3.45Å; F199-H276 PolarHBondContact N-O 3.27Å; F199-P277 HydrophobicContact CE1-CB 3.99Å; F199-P277 HydrophobicContact CE2-CB 4.45Å; F199-P277 HydrophobicContact CZ-CB 3.83Å; F199-I278 PolarHBondContact O-N 3.42Å
200L93.1Very high85.4Confident0 Ų048.6 Ų48.60%030%0.298CS..EExtended strand (participates in β ladder)trans-146155.3166.761.386.4000111.3W179 L184 A189 L192 F193 R202 S214 I278W179-L200 WeakPolarHBondContact O-CA 3.46Å; L184-L200 HydrophobicContact CD2-CD1 3.97Å; L184-L200 HydrophobicContact CD2-CD2 4.02Å; A189-L200 HydrophobicContact CB-CD1 4.11Å; A189-L200 HydrophobicContact CB-CD2 4.2Å; L192-L200 HydrophobicContact CD1-CD2 3.88Å; F193-L200 HydrophobicContact CE1-CD2 4.49Å; F193-L200 HydrophobicContact CE1-CG 4.42Å; F193-L200 HydrophobicContact CZ-CD2 4.45Å; F193-L200 HydrophobicContact CZ-CG 4.38Å; L200-R202 HydrophobicContact CD1-CB 4.07Å; L200-R202 HydrophobicContact CD1-CG 4.23Å; L200-S214 PolarHBondContact N-O 2.59Å; L200-S214 PolarHBondContact O-N 3.27Å; L200-S214 VanDerWaalsContact O-O 3.09Å; L200-I278 HydrophobicContact CB-CB 4.39Å; L200-I278 HydrophobicContact CD2-CB 4.46Å; L200-I278 HydrophobicContact CD2-CD1 4.28Å; L200-I278 HydrophobicContact CD2-CG2 4.39Å
201V93.4Very high85.5Confident0 Ų047.7 Ų47.70%029%0.291CS..EExtended strand (participates in β ladder)trans-106.4138.2170.7-1780000109.3W179 Y180 H181 L213 I226 I256W179-V201 HydrophobicContact CE3-CB 3.8Å; W179-V201 HydrophobicContact CE3-CG2 3.62Å; W179-V201 HydrophobicContact CZ3-CB 3.75Å; W179-V201 HydrophobicContact CZ3-CG1 4.44Å; W179-V201 HydrophobicContact CZ3-CG2 3.54Å; W179-V201 PolarHBondContact O-N 3.45Å; Y180-V201 CarbonylContact C-O 3.59Å; Y180-V201 WeakPolarHBondContact CA-O 3.47Å; Y180-V201 HydrophobicContact CD2-CB 4.3Å; Y180-V201 HydrophobicContact CD2-CG1 4.11Å; H181-V201 PolarHBondContact N-O 3.05Å; V201-L213 HydrophobicContact CG2-CD1 3.9Å; V201-I226 HydrophobicContact CG1-CD1 4.32Å; V201-I256 HydrophobicContact CG2-CD1 3.78Å; V201-I256 HydrophobicContact CG2-CG1 4.17Å
202R92.1Very high85.9Confident10 Ų1045.4 Ų45.44%0.03828%0.277CS..EExtended strand (participates in β ladder)trans-144.3166.3-178.866.7-170.8-169.376.55.6110.5G182 L184 L200 S205 V212 S214G182-R202 CarbonylContact O-C 3.55Å; G182-R202 VanDerWaalsContact O-CA 3.32Å; G182-R202 WeakPolarHBondContact O-CA 3.35Å; G182-R202 WeakPolarHBondContact O-CB 3.32Å; L184-R202 HydrophobicContact CB-CB 4.02Å; L184-R202 WeakPolarHBondContact O-CD 3.42Å; L184-R202 PolarHBondContact O-NH1 3.24Å; L200-R202 HydrophobicContact CD1-CB 4.07Å; L200-R202 HydrophobicContact CD1-CG 4.23Å; R202-S205 PolarHBondContact NH1-OG 3.34Å; R202-S205 VanDerWaalsContact NH1-OG 3.08Å; R202-V212 HydrophobicContact CG-CB 4.34Å; R202-V212 PolarHBondContact N-O 3.26Å; R202-V212 PolarHBondContact O-N 3.5Å; R202-S214 PolarHBondContact NE-OG 3.08Å
203D89.8Confident86.3Confident39 Ų3942.9 Ų42.921%0.20926%0.263CS..EExtended strand (participates in β ladder)trans-77.1147.4178.4-55.4-37.9000111.6Y180 G182 P183 S205 Y211Y180-D203 PolarHBondContact OH-OD1 2.89Å; G182-D203 VanDerWaalsContact CA-OD2 3.28Å; G182-D203 WeakPolarHBondContact CA-OD2 3.39Å; G182-D203 PolarHBondContact O-N 3.1Å; P183-D203 VanDerWaalsContact N-OD2 3.13Å; D203-S205 PolarHBondContact O-N 3.09Å; D203-S205 VanDerWaalsContact O-N 3.13Å; D203-Y211 WeakPolarHBondContact OD1-CD1 3.49Å; D203-Y211 WeakPolarHBondContact OD1-CE1 3.24Å
204S84.9Confident86.5Confident11 Ų1142 Ų428%0.07726%0.259CS..  trans-71.8106.5179.4178.80000111.1S206 T207 D210S204-S206 PolarHBondContact O-N 2.91Å; S204-S206 PolarHBondContact OG-OG 3.02Å; S204-T207 VanDerWaalsContact CB-O 3.28Å; S204-T207 WeakPolarHBondContact CB-O 3.47Å; S204-T207 CarbonylContact O-C 3.51Å; S204-T207 PolarHBondContact O-N 2.94Å; S204-T207 PolarHBondContact OG-N 2.96Å; S204-T207 PolarHBondContact OG-OG1 2.86Å; S204-D210 WeakPolarHBondContact CB-O 3.5Å; S204-D210 PolarHBondContact N-O 2.92Å
205S79.1Confident86.9Confident78 Ų7835.3 Ų35.355%0.54523%0.228SC..THydrogen-bonded Turntrans-65.1-6.9-179.2-35.70000114.4R202 D203R202-S205 PolarHBondContact NH1-OG 3.34Å; R202-S205 VanDerWaalsContact NH1-OG 3.08Å; D203-S205 PolarHBondContact O-N 3.09Å; D203-S205 VanDerWaalsContact O-N 3.13Å
206S76.1Confident87.2Confident105 Ų10534.2 Ų34.273%0.73422%0.215SC*.THydrogen-bonded Turntrans-115.7-15.1178.761.70000114.3S204S204-S206 PolarHBondContact O-N 2.91Å; S204-S206 PolarHBondContact OG-OG 3.02Å
207T76.1Confident87.2Confident49 Ų4933.7 Ų33.730%0.30121%0.208SC..SBendtrans-144.593.3-177.723.60000108.9S204 G209 D210 K225S204-T207 VanDerWaalsContact CB-O 3.28Å; S204-T207 WeakPolarHBondContact CB-O 3.47Å; S204-T207 CarbonylContact O-C 3.51Å; S204-T207 PolarHBondContact O-N 2.94Å; S204-T207 PolarHBondContact OG-N 2.96Å; S204-T207 PolarHBondContact OG-OG1 2.86Å; T207-G209 PolarHBondContact O-N 3.47Å; T207-D210 WeakPolarHBondContact CB-OD2 3.32Å; T207-D210 PolarHBondContact O-N 2.85Å; T207-K225 PolarHBondContact OG1-NZ 3.25Å
208P76.7Confident87.2Confident131 Ų13140 Ų4085%0.85124%0.236SC*.THydrogen-bonded Turntrans-62.4137-175.226.3-34.3000111.2
209G76.1Confident86.7Confident61 Ų6145.9 Ų45.963%0.62927%0.268SS*.THydrogen-bonded Turntrans91.3-7.1-175.100000115.3T207T207-G209 PolarHBondContact O-N 3.47Å
210D85.3Confident86.3Confident34 Ų3446.6 Ų46.618%0.18228%0.276CS..  trans-96.4148169.1-75.6-68.8000112S204 T207 K225S204-D210 WeakPolarHBondContact CB-O 3.5Å; S204-D210 PolarHBondContact N-O 2.92Å; T207-D210 WeakPolarHBondContact CB-OD2 3.32Å; T207-D210 PolarHBondContact O-N 2.85Å; D210-K225 WeakPolarHBondContact OD1-CE 3.23Å; D210-K225 IonicContact OD1-NZ 3.22Å; D210-K225 VanDerWaalsContact OD2-CE 3.27Å; D210-K225 WeakPolarHBondContact OD2-CE 3.46Å; D210-K225 IonicContact OD2-NZ 2.7Å; D210-K225 PolarHBondContact OD2-NZ 3.48Å
211Y90.4Very high86.1Confident58 Ų5849.2 Ų49.223%0.22729%0.293CS..EExtended strand (participates in β ladder)trans-102.3150.8176-57.8-64.3000112.4L174 Y180 D203 I226 F242 V252L174-Y211 HydrophobicContact CD2-CD1 4.1Å; L174-Y211 HydrophobicContact CD2-CD2 4.35Å; L174-Y211 HydrophobicContact CD2-CE1 3.73Å; L174-Y211 HydrophobicContact CD2-CE2 3.99Å; L174-Y211 HydrophobicContact CD2-CG 4.4Å; Y180-Y211 HydrophobicContact CE2-CD1 4.13Å; Y180-Y211 HydrophobicContact CE2-CE1 4.03Å; D203-Y211 WeakPolarHBondContact OD1-CD1 3.49Å; D203-Y211 WeakPolarHBondContact OD1-CE1 3.24Å; Y211-I226 PolarHBondContact O-N 2.92Å; Y211-F242 HydrophobicContact CD2-CE1 4.21Å; Y211-F242 HydrophobicContact CE2-CE1 4.16Å; Y211-V252 HydrophobicContact CD2-CG2 3.79Å; Y211-V252 HydrophobicContact CE2-CG2 4.18Å
212V92.2Very high85.8Confident13 Ų1352.1 Ų52.18%0.07931%0.306CS..EExtended strand (participates in β ladder)trans-129.4117.5177.4-178.50000109.6R202 H223 F224R202-V212 HydrophobicContact CG-CB 4.34Å; R202-V212 PolarHBondContact N-O 3.26Å; R202-V212 PolarHBondContact O-N 3.5Å; V212-H223 HydrophobicContact CG1-CB 3.97Å; V212-F224 WeakPolarHBondContact CA-O 3.37Å
213L92.5Very high85.8Confident0 Ų053.6 Ų53.60%031%0.313CS..EExtended strand (participates in β ladder)trans-74.4126.8163.3175.565.2000108.3F199 V201 H223 F224 F244 I256 I266 I274F199-L213 HydrophobicContact CB-CD1 4.01Å; F199-L213 HydrophobicContact CD2-CD1 3.69Å; F199-L213 HydrophobicContact CG-CD1 4.22Å; V201-L213 HydrophobicContact CG2-CD1 3.9Å; L213-H223 CarbonylContact O-C 3.58Å; L213-H223 WeakPolarHBondContact O-CA 3.37Å; L213-F224 PolarHBondContact N-O 3.32Å; L213-F224 PolarHBondContact O-N 3.5Å; L213-F244 HydrophobicContact CB-CE1 4.02Å; L213-F244 HydrophobicContact CB-CZ 3.73Å; L213-F244 HydrophobicContact CD2-CE1 4.26Å; L213-F244 HydrophobicContact CD2-CE2 3.95Å; L213-F244 HydrophobicContact CD2-CZ 3.41Å; L213-F244 VanDerWaalsContact CD2-CZ 3.41Å; L213-F244 HydrophobicContact CG-CZ 4.22Å; L213-I256 HydrophobicContact CD1-CD1 3.94Å; L213-I256 HydrophobicContact CD2-CD1 4.33Å; L213-I266 HydrophobicContact CD2-CD1 3.48Å; L213-I266 VanDerWaalsContact CD2-CD1 3.48Å; L213-I266 HydrophobicContact CD2-CG1 4.11Å; L213-I274 HydrophobicContact CD1-CD1 4.39Å; L213-I274 HydrophobicContact CD2-CD1 3.93Å; L213-I274 HydrophobicContact CD2-CG2 4.45Å
214S92.2Very high85.8Confident0 Ų053.1 Ų53.10%031%0.31CS..EExtended strand (participates in β ladder)trans-119.1127.7174.6-550000108.4F193 F199 L200 R202 H222 H223F193-S214 WeakPolarHBondContact CE1-O 3.43Å; F199-S214 CarbonylContact C-O 3.56Å; F199-S214 WeakPolarHBondContact CA-O 3.15Å; L200-S214 PolarHBondContact N-O 2.59Å; L200-S214 PolarHBondContact O-N 3.27Å; L200-S214 VanDerWaalsContact O-O 3.09Å; R202-S214 PolarHBondContact NE-OG 3.08Å; S214-H222 WeakPolarHBondContact CA-O 3.49Å; S214-H223 WeakPolarHBondContact CB-ND1 3.47Å; S214-H223 PolarHBondContact OG-ND1 3.17Å
215C92.4Very high86Confident0 Ų056.9 Ų56.90%032%0.324CS..EExtended strand (participates in β ladder)trans-145.8164.1-177.265.30000111.9D198 F199 H222 I274D198-C215 CarbonylContact O-C 3.57Å; D198-C215 WeakPolarHBondContact O-CA 3.26Å; D198-C215 WeakPolarHBondContact O-CB 2.96Å; F199-C215 HydrophobicContact CB-CB 3.73Å; C215-H222 PolarHBondContact N-O 3.49Å; C215-H222 PolarHBondContact O-N 2.8Å; C215-I274 HydrophobicContact CB-CG2 3.56Å
216F91.2Very high86.5Confident43 Ų4353.2 Ų53.219%0.18930%0.299CS..EExtended strand (participates in β ladder)trans-111.8133.2177.2-167.4-95.6000110.9F193 D196 G197 D198 N219 G220 P221F193-F216 HydrophobicContact CB-CB 3.52Å; F193-F216 HydrophobicContact CB-CD2 3.98Å; F193-F216 HydrophobicContact CB-CG 3.87Å; F193-F216 HydrophobicContact CD1-CB 3.93Å; F193-F216 HydrophobicContact CD2-CB 4.22Å; F193-F216 HydrophobicContact CD2-CD2 4.44Å; F193-F216 HydrophobicContact CG-CB 3.64Å; F193-F216 HydrophobicContact CG-CD2 4.42Å; F193-F216 HydrophobicContact CG-CG 4.38Å; D196-F216 WeakPolarHBondContact OD1-CD1 3.37Å; G197-F216 PolarHBondContact N-O 3.38Å; D198-F216 PolarHBondContact O-N 2.87Å; F216-N219 HydrophobicContact CZ-CB 4.47Å; F216-G220 WeakPolarHBondContact CA-O 3.47Å; F216-P221 HydrophobicContact CD2-CB 4.49Å
217W88.3Confident87Confident51 Ų5151.9 Ų51.919%0.19328%0.283CS..EExtended strand (participates in β ladder)trans-157.7140.2-176-166.3-113.5000111.6D196 N219 G220 G271 A272 I273D196-W217 HydrophobicContact CB-CE3 4.12Å; D196-W217 HydrophobicContact CB-CZ3 4.42Å; D196-W217 VanDerWaalsContact OD1-C 3.26Å; D196-W217 VanDerWaalsContact OD1-CA 3.3Å; D196-W217 WeakPolarHBondContact OD1-CA 3.38Å; W217-N219 PolarHBondContact O-N 2.91Å; W217-G220 PolarHBondContact N-O 2.75Å; W217-G220 PolarHBondContact O-N 3.33Å; W217-G220 VanDerWaalsContact O-O 3.11Å; W217-G271 PolarHBondContact NE1-O 2.9Å; W217-A272 HydrophobicContact CB-CB 4.18Å; W217-A272 VanDerWaalsContact CD1-CA 3.45Å; W217-A272 HydrophobicContact CG-CB 4.1Å; W217-I273 HydrophobicContact CH2-CB 3.73Å; W217-I273 HydrophobicContact CH2-CD1 4.06Å; W217-I273 HydrophobicContact CH2-CG1 4.17Å; W217-I273 HydrophobicContact CZ2-CB 3.96Å; W217-I273 HydrophobicContact CZ2-CD1 3.92Å; W217-I273 HydrophobicContact CZ2-CG1 3.97Å; W217-I273 HydrophobicContact CZ3-CB 4.08Å
218K85Confident87.4Confident132 Ų13253.6 Ų53.657%0.57429%0.286SS*.THydrogen-bonded Turntrans51.739.9-177.3-63165.9-177.9165.40112.6D196 G220 S270D196-K218 PolarHBondContact OD1-N 2.95Å; D196-K218 VanDerWaalsContact OD2-CA 3.32Å; D196-K218 WeakPolarHBondContact OD2-CA 3.43Å; D196-K218 PolarHBondContact OD2-N 2.97Å; K218-G220 VanDerWaalsContact C-N 3.31Å; K218-G220 PolarHBondContact O-N 3.2Å; K218-S270 PolarHBondContact NZ-O 3.09Å
219N79.8Confident87.6Confident145 Ų14549.1 Ų49.178%0.77526%0.256SS*.THydrogen-bonded Turntrans63.225.3-174.5-55.4-63.7000115.5D196 F216 W217D196-N219 PolarHBondContact OD1-N 2.98Å; D196-N219 VanDerWaalsContact OD1-N 3.08Å; F216-N219 HydrophobicContact CZ-CB 4.47Å; W217-N219 PolarHBondContact O-N 2.91Å
220G85Confident87.7Confident18 Ų1850.1 Ų50.119%0.18625%0.25CC..EExtended strand (participates in β ladder)trans-138.4144.5177.600000114.2F216 W217 K218 H222F216-G220 WeakPolarHBondContact CA-O 3.47Å; W217-G220 PolarHBondContact N-O 2.75Å; W217-G220 PolarHBondContact O-N 3.33Å; W217-G220 VanDerWaalsContact O-O 3.11Å; K218-G220 VanDerWaalsContact C-N 3.31Å; K218-G220 PolarHBondContact O-N 3.2Å; G220-H222 PolarHBondContact O-CD2 3.34Å
221P89Confident87.1Confident56 Ų5652.1 Ų52.136%0.36426%0.26SS..EExtended strand (participates in β ladder)trans-75.2132171.131.1-33000111.1E190 F216E190-P221 HydrophobicContact CG-CB 3.88Å; E190-P221 HydrophobicContact CG-CG 4.05Å; F216-P221 HydrophobicContact CD2-CB 4.49Å
222H88.6Confident85.3Confident61 Ų6160.6 Ų60.628%0.28229%0.292SS..EExtended strand (participates in β ladder)trans-120.7147.1175.8-73-81.3000110.6S214 C215 G220 F224S214-H222 WeakPolarHBondContact CA-O 3.49Å; C215-H222 PolarHBondContact N-O 3.49Å; C215-H222 PolarHBondContact O-N 2.8Å; G220-H222 PolarHBondContact O-CD2 3.34Å; H222-F224 HydrophobicContact CB-CE2 3.66Å; H222-F224 HydrophobicContact CB-CZ 3.81Å
223H90.4Very high83.6Confident40 Ų4064.5 Ų64.519%0.18532%0.317CS..EExtended strand (participates in β ladder)trans-134118.3179.3-54.2-82.5000110.5R186 E190 V212 L213 S214R186-H223 PolarHBondContact NE-CD2 3.21Å; R186-H223 PolarHBondContact NE-NE2 3.27Å; R186-H223 VanDerWaalsContact NE-NE2 3.17Å; R186-H223 PolarHBondContact NH2-CD2 3.27Å; E190-H223 IonicContact OE1-NE2 3.9Å; V212-H223 HydrophobicContact CG1-CB 3.97Å; L213-H223 CarbonylContact O-C 3.58Å; L213-H223 WeakPolarHBondContact O-CA 3.37Å; S214-H223 WeakPolarHBondContact CB-ND1 3.47Å; S214-H223 PolarHBondContact OG-ND1 3.17Å
224F89.9Confident81.4Confident30 Ų3073.3 Ų73.313%0.13236%0.356CS..EExtended strand (participates in β ladder)trans-112118.5-179.1-56.5-75000109.2V212 L213 H222 I226 F244 I266 S270 A272V212-F224 WeakPolarHBondContact CA-O 3.37Å; L213-F224 PolarHBondContact N-O 3.32Å; L213-F224 PolarHBondContact O-N 3.5Å; H222-F224 HydrophobicContact CB-CE2 3.66Å; H222-F224 HydrophobicContact CB-CZ 3.81Å; F224-I226 PolarHBondContact O-N 2.91Å; F224-F244 HydrophobicContact CB-CD1 3.91Å; F224-F244 HydrophobicContact CB-CE1 3.68Å; F224-I266 HydrophobicContact CB-CG2 3.92Å; F224-I266 HydrophobicContact CD1-CG2 3.96Å; F224-I266 HydrophobicContact CD2-CB 4.31Å; F224-I266 HydrophobicContact CD2-CD1 4.04Å; F224-I266 HydrophobicContact CD2-CG2 3.66Å; F224-I266 HydrophobicContact CE1-CG2 4.43Å; F224-I266 HydrophobicContact CE2-CB 4.35Å; F224-I266 HydrophobicContact CE2-CD1 4.08Å; F224-I266 HydrophobicContact CE2-CG2 4.15Å; F224-I266 HydrophobicContact CG-CG2 3.55Å; F224-S270 WeakPolarHBondContact CZ-OG 3.33Å; F224-A272 HydrophobicContact CE2-CB 3.76Å; F224-A272 HydrophobicContact CZ-CB 3.68Å
225K89Confident79.5Confident89 Ų8983.2 Ų83.239%0.38740%0.399SS..EExtended strand (participates in β ladder)trans-69.8127.7172.2179.2169.3177.4161.70108.7T207 D210T207-K225 PolarHBondContact OG1-NZ 3.25Å; D210-K225 WeakPolarHBondContact OD1-CE 3.23Å; D210-K225 IonicContact OD1-NZ 3.22Å; D210-K225 VanDerWaalsContact OD2-CE 3.27Å; D210-K225 WeakPolarHBondContact OD2-CE 3.46Å; D210-K225 IonicContact OD2-NZ 2.7Å; D210-K225 PolarHBondContact OD2-NZ 3.48Å
226I89.9Confident77.8Confident2 Ų287.1 Ų87.11%0.0144%0.439CS..EExtended strand (participates in β ladder)trans-79119.9169.8-61.1170.9000106.5V201 Y211 F224 F242 F244 V252 L255V201-I226 HydrophobicContact CG1-CD1 4.32Å; Y211-I226 PolarHBondContact O-N 2.92Å; F224-I226 PolarHBondContact O-N 2.91Å; I226-F242 HydrophobicContact CG2-CB 3.86Å; I226-F242 HydrophobicContact CG2-CD1 3.93Å; I226-F242 HydrophobicContact CG2-CG 4.37Å; I226-F244 HydrophobicContact CB-CE1 4.4Å; I226-F244 HydrophobicContact CD1-CE1 4.47Å; I226-F244 HydrophobicContact CD1-CZ 4.33Å; I226-F244 HydrophobicContact CG1-CD1 4.3Å; I226-F244 HydrophobicContact CG1-CE1 3.44Å; I226-F244 VanDerWaalsContact CG1-CE1 3.44Å; I226-F244 HydrophobicContact CG1-CZ 3.73Å; I226-V252 HydrophobicContact CD1-CG1 3.79Å; I226-V252 HydrophobicContact CD1-CG2 4.39Å; I226-V252 HydrophobicContact CG2-CG2 4.47Å; I226-L255 HydrophobicContact CD1-CD2 4.32Å; I226-L255 HydrophobicContact CG2-CD1 4.08Å
227I86.1Confident75.8Confident76 Ų7694.5 Ų94.539%0.3947%0.467SS..EExtended strand (participates in β ladder)trans-86.3119.6-177.8-54.9177000108.7V229 F242 Q243I227-V229 HydrophobicContact CG2-CG2 4.07Å; I227-F242 WeakPolarHBondContact O-CA 3.48Å; I227-Q243 HydrophobicContact CB-CG 4.15Å; I227-Q243 PolarHBondContact N-O 3.32Å; I227-Q243 PolarHBondContact O-N 2.97Å
228K84.8Confident74.4Confident85 Ų8596 Ų9637%0.3749%0.485SS..EExtended strand (participates in β ladder)trans-85.5114.2172.1172.1165.9160.4150.90110.1E240 F242K228-E240 WeakPolarHBondContact CE-OE1 3.34Å; K228-E240 WeakPolarHBondContact CE-OE2 3.26Å; K228-E240 IonicContact NZ-OE1 3.46Å; K228-E240 PolarHBondContact NZ-OE1 3.49Å; K228-E240 IonicContact NZ-OE2 3.53Å; K228-E240 PolarHBondContact NZ-OE2 2.86Å; K228-F242 HydrophobicContact CB-CE1 4.42Å; K228-F242 HydrophobicContact CD-CE1 4.46Å
229V80.9Confident73.9Confident37 Ų3796.5 Ų96.522%0.22448%0.484CS..EExtended strand (participates in β ladder)trans-107.8108.8-179.4-179.70000109.1I227 L241 Q243I227-V229 HydrophobicContact CG2-CG2 4.07Å; V229-L241 HydrophobicContact CB-CB 4.48Å; V229-L241 PolarHBondContact N-O 3.12Å; V229-L241 PolarHBondContact O-N 3.1Å; V229-Q243 HydrophobicContact CG2-CG 3.94Å
230V78.4Confident74.1Confident82 Ų8293 Ų9350%0.49746%0.463SS..EExtended strand (participates in β ladder)trans-88121.5175.3-176.30000109.3E240V230-E240 HydrophobicContact CG2-CG 4.49Å
231L71.8Confident74.1Confident76 Ų7693.2 Ų93.240%0.39846%0.459SS..PPolyproline II helixtrans-75.4137.2176.2-66.6178.4000111.2R239 L241L231-R239 PolarHBondContact N-O 2.86Å; L231-R239 VanDerWaalsContact N-O 3.1Å; L231-L241 HydrophobicContact CD1-CD1 3.95Å; L231-L241 HydrophobicContact CG-CD1 4.28Å
232R54.1Low74.1Confident236 Ų23691.7 Ų91.789%0.89145%0.447SS*.PPolyproline II helixtrans-59.5125.8-176.1-150.2-167.9-59.5175.41.1110.1K234R232-K234 PolarHBondContact O-N 3.49Å
233P56.5Low74Confident95 Ų9589.8 Ų89.862%0.61744%0.438SS*.PPolyproline II helixtrans-65.8135.2-166.723.5-34.7000113.1
234K46.2Very low73.7Confident185 Ų18588.5 Ų88.580%0.80443%0.432SS*.BIsolated β-bridgetrans-118.5115159.7-76-173.9176.3-177.90107.6R232R232-K234 PolarHBondContact O-N 3.49Å
235K52.8Low73.2Confident208 Ų20890.5 Ų90.590%0.90444%0.442SS*.THydrogen-bonded Turntrans41.480172.7-64.4-170.7175-170.30114.6Y237K235-Y237 PolarHBondContact O-N 2.92Å
236G56.1Low72.4Confident82 Ų8292.5 Ų92.585%0.84545%0.452SS*.THydrogen-bonded Turntrans84.9-11.6164.100000117.5
237Y49.7Very low72Confident198 Ų19895.1 Ų95.178%0.77647%0.466SS*.BIsolated β-bridgetrans-118.1117.4-179.8-64.3-81.9000113K235K235-Y237 PolarHBondContact O-N 2.92Å
238S58.5Low72Confident82 Ų8298.7 Ų98.757%0.57348%0.475SS*.  trans-102.2106.6163.250.80000109.3
239R73.6Confident72.1Confident144 Ų14496.1 Ų96.154%0.54346%0.464SS..  trans-92.6124.4173-172172.7-178.1160.2-5.4109.2L231 L241 D250L231-R239 PolarHBondContact N-O 2.86Å; L231-R239 VanDerWaalsContact N-O 3.1Å; R239-L241 HydrophobicContact CG-CD2 4.46Å; R239-D250 IonicContact CZ-OD1 2.76Å; R239-D250 IonicContact CZ-OD2 2.64Å; R239-D250 IonicContact NE-OD1 3.19Å; R239-D250 PolarHBondContact NE-OD1 3.11Å; R239-D250 IonicContact NH2-OD1 3.16Å; R239-D250 PolarHBondContact NH2-OD1 2.87Å; R239-D250 IonicContact NH2-OD2 2.66Å; R239-D250 PolarHBondContact NH2-OD2 3.13Å
240E83.4Confident72.3Confident72 Ų7298 Ų9834%0.33647%0.473SS..EExtended strand (participates in β ladder)trans-90.4141.2172.8-48.4-164.9147.400109.3K228 V230K228-E240 WeakPolarHBondContact CE-OE1 3.34Å; K228-E240 WeakPolarHBondContact CE-OE2 3.26Å; K228-E240 IonicContact NZ-OE1 3.46Å; K228-E240 PolarHBondContact NZ-OE1 3.49Å; K228-E240 IonicContact NZ-OE2 3.53Å; K228-E240 PolarHBondContact NZ-OE2 2.86Å; V230-E240 HydrophobicContact CG2-CG 4.49Å
241L86.4Confident72.7Confident22 Ų2296.1 Ų96.112%0.11546%0.46CS..EExtended strand (participates in β ladder)trans-129143.1175.2-64.6176000109.8V229 L231 R239 R248 F249 D250V229-L241 HydrophobicContact CB-CB 4.48Å; V229-L241 PolarHBondContact N-O 3.12Å; V229-L241 PolarHBondContact O-N 3.1Å; L231-L241 HydrophobicContact CD1-CD1 3.95Å; L231-L241 HydrophobicContact CG-CD1 4.28Å; R239-L241 HydrophobicContact CG-CD2 4.46Å; L241-R248 HydrophobicContact CD1-CB 4.49Å; L241-F249 CarbonylContact C-O 3.49Å; L241-F249 WeakPolarHBondContact CA-O 3.47Å; L241-D250 VanDerWaalsContact CD2-OD1 3.24Å; L241-D250 WeakPolarHBondContact CD2-OD1 3.34Å
242F88.4Confident73.6Confident24 Ų2492.5 Ų92.511%0.10544%0.441CS..EExtended strand (participates in β ladder)trans-109.6133.6179.6-58.7-87.8000109.8Y211 I226 I227 K228 F249 V252 L255Y211-F242 HydrophobicContact CD2-CE1 4.21Å; Y211-F242 HydrophobicContact CE2-CE1 4.16Å; I226-F242 HydrophobicContact CG2-CB 3.86Å; I226-F242 HydrophobicContact CG2-CD1 3.93Å; I226-F242 HydrophobicContact CG2-CG 4.37Å; I227-F242 WeakPolarHBondContact O-CA 3.48Å; K228-F242 HydrophobicContact CB-CE1 4.42Å; K228-F242 HydrophobicContact CD-CE1 4.46Å; F242-F249 PolarHBondContact N-O 3.47Å; F242-F249 PolarHBondContact O-N 2.98Å; F242-V252 HydrophobicContact CB-CG2 4.41Å; F242-V252 HydrophobicContact CD1-CG2 3.68Å; F242-V252 HydrophobicContact CD2-CG2 4.37Å; F242-V252 HydrophobicContact CE1-CG2 3.99Å; F242-V252 HydrophobicContact CG-CG2 3.88Å; F242-V252 HydrophobicContact CZ-CG2 4.47Å; F242-L255 HydrophobicContact CB-CD1 4.1Å
243Q87.4Confident75.3Confident20 Ų2081.3 Ų81.39%0.09340%0.399CS..EExtended strand (participates in β ladder)trans-145.7161.5177.556.1162.290.600112.6I227 V229 E245 D247 R248I227-Q243 HydrophobicContact CB-CG 4.15Å; I227-Q243 PolarHBondContact N-O 3.32Å; I227-Q243 PolarHBondContact O-N 2.97Å; V229-Q243 HydrophobicContact CG2-CG 3.94Å; Q243-E245 PolarHBondContact NE2-O 3.14Å; Q243-D247 WeakPolarHBondContact CA-O 3.23Å; Q243-D247 WeakPolarHBondContact CB-O 3.34Å; Q243-R248 HydrophobicContact CB-CG 4.01Å; Q243-R248 HydrophobicContact CG-CG 4.38Å
244F83.4Confident76.8Confident13 Ų1378.1 Ų78.16%0.05738%0.381CS..SBendtrans-97-84.3160-67.5-63.3000109.5L213 F224 I226 L255 Y259 I266L213-F244 HydrophobicContact CB-CE1 4.02Å; L213-F244 HydrophobicContact CB-CZ 3.73Å; L213-F244 HydrophobicContact CD2-CE1 4.26Å; L213-F244 HydrophobicContact CD2-CE2 3.95Å; L213-F244 HydrophobicContact CD2-CZ 3.41Å; L213-F244 VanDerWaalsContact CD2-CZ 3.41Å; L213-F244 HydrophobicContact CG-CZ 4.22Å; F224-F244 HydrophobicContact CB-CD1 3.91Å; F224-F244 HydrophobicContact CB-CE1 3.68Å; I226-F244 HydrophobicContact CB-CE1 4.4Å; I226-F244 HydrophobicContact CD1-CE1 4.47Å; I226-F244 HydrophobicContact CD1-CZ 4.33Å; I226-F244 HydrophobicContact CG1-CD1 4.3Å; I226-F244 HydrophobicContact CG1-CE1 3.44Å; I226-F244 VanDerWaalsContact CG1-CE1 3.44Å; I226-F244 HydrophobicContact CG1-CZ 3.73Å; F244-L255 HydrophobicContact CD2-CD1 4.31Å; F244-L255 HydrophobicContact CD2-CD2 4.27Å; F244-L255 HydrophobicContact CD2-CG 4.41Å; F244-L255 HydrophobicContact CE2-CD1 4.26Å; F244-L255 HydrophobicContact CE2-CD2 3.47Å; F244-L255 VanDerWaalsContact CE2-CD2 3.47Å; F244-L255 HydrophobicContact CE2-CG 4.07Å; F244-L255 HydrophobicContact CZ-CD2 3.82Å; F244-Y259 HydrophobicContact CD2-CD2 4.01Å; F244-Y259 AromaticContact CD2-CE2 3.58Å; F244-Y259 HydrophobicContact CD2-CE2 3.58Å; F244-Y259 HydrophobicContact CE2-CD2 4.04Å; F244-Y259 HydrophobicContact CE2-CE2 4.08Å; F244-I266 HydrophobicContact CB-CG2 4.3Å; F244-I266 HydrophobicContact CD1-CG2 3.98Å; F244-I266 HydrophobicContact CD2-CG2 3.69Å; F244-I266 HydrophobicContact CE1-CG2 4.17Å; F244-I266 HydrophobicContact CE2-CG2 3.89Å; F244-I266 HydrophobicContact CG-CG2 3.74Å; F244-I266 HydrophobicContact CZ-CG2 4.15Å
245E78.6Confident78.9Confident72 Ų7269.3 Ų69.334%0.33634%0.342SS..SBendtrans-98.2-70.9178.9-66.2-175.7165.800112.3Q243 S267 K268Q243-E245 PolarHBondContact NE2-O 3.14Å; E245-S267 VanDerWaalsContact CD-CA 3.43Å; E245-S267 WeakPolarHBondContact OE1-CA 3.41Å; E245-S267 WeakPolarHBondContact OE1-CB 3.37Å; E245-S267 PolarHBondContact OE1-OG 3.01Å; E245-K268 PolarHBondContact OE1-N 3.05Å; E245-K268 WeakPolarHBondContact OE2-CG 3.29Å; E245-K268 PolarHBondContact OE2-N 3.19Å
246E72.8Confident80.7Confident131 Ų13159.6 Ų59.661%0.61230%0.3SS*.SBendtrans-116-40.8-169.5-71.7168.3-176.500113.5K268E246-K268 IonicContact OE1-NZ 2.72Å; E246-K268 PolarHBondContact OE1-NZ 2.86Å; E246-K268 IonicContact OE2-NZ 3.5Å; E246-K268 PolarHBondContact OE2-NZ 3.44Å
247D81.4Confident82.2Confident57 Ų5762.4 Ų62.431%0.30529%0.285SS..  trans-76.5134-176.5-57.7-62.5000112.1Q243 F249 F258 Y259Q243-D247 WeakPolarHBondContact CA-O 3.23Å; Q243-D247 WeakPolarHBondContact CB-O 3.34Å; D247-F249 HydrophobicContact CB-CE2 3.52Å; D247-F249 HydrophobicContact CB-CZ 3.66Å; D247-F258 HydrophobicContact CB-CE1 4.28Å; D247-Y259 PolarHBondContact OD2-OH 3.49Å
248R85.9Confident84Confident152 Ų15256.4 Ų56.457%0.57426%0.263SS*.EExtended strand (participates in β ladder)trans-119.2138.2-176.4-69.2177.6178.8156.76.8112.3L241 Q243L241-R248 HydrophobicContact CD1-CB 4.49Å; Q243-R248 HydrophobicContact CB-CG 4.01Å; Q243-R248 HydrophobicContact CG-CG 4.38Å
249F88Confident85.4Confident30 Ų3052.8 Ų52.813%0.13224%0.237CC..EExtended strand (participates in β ladder)trans-136.6151.3-175-54-88.7000112L241 F242 D247 N251 A254 L255 F258 Y259L241-F249 CarbonylContact C-O 3.49Å; L241-F249 WeakPolarHBondContact CA-O 3.47Å; F242-F249 PolarHBondContact N-O 3.47Å; F242-F249 PolarHBondContact O-N 2.98Å; D247-F249 HydrophobicContact CB-CE2 3.52Å; D247-F249 HydrophobicContact CB-CZ 3.66Å; F249-N251 VanDerWaalsContact C-N 3.35Å; F249-N251 PolarHBondContact O-N 3.42Å; F249-A254 HydrophobicContact CB-CB 4.3Å; F249-A254 HydrophobicContact CD1-CB 4.4Å; F249-L255 HydrophobicContact CB-CB 3.95Å; F249-L255 HydrophobicContact CD2-CB 3.5Å; F249-L255 HydrophobicContact CD2-CD1 4Å; F249-L255 HydrophobicContact CD2-CG 3.91Å; F249-L255 HydrophobicContact CE2-CB 4.17Å; F249-L255 HydrophobicContact CE2-CG 4.28Å; F249-L255 HydrophobicContact CG-CB 3.74Å; F249-F258 HydrophobicContact CD1-CB 4.48Å; F249-F258 HydrophobicContact CE1-CB 3.54Å; F249-F258 HydrophobicContact CE1-CD1 4.08Å; F249-F258 AromaticContact CE1-CD2 3.96Å; F249-F258 HydrophobicContact CE1-CD2 3.96Å; F249-F258 AromaticContact CE1-CG 3.61Å; F249-F258 HydrophobicContact CE1-CG 3.61Å; F249-F258 HydrophobicContact CE2-CD1 4.37Å; F249-F258 HydrophobicContact CZ-CB 3.67Å; F249-F258 AromaticContact CZ-CD1 3.43Å; F249-F258 HydrophobicContact CZ-CD1 3.43Å; F249-F258 VanDerWaalsContact CZ-CD1 3.43Å; F249-F258 HydrophobicContact CZ-CD2 4.09Å; F249-F258 AromaticContact CZ-CE1 3.97Å; F249-F258 HydrophobicContact CZ-CE1 3.97Å; F249-F258 AromaticContact CZ-CG 3.47Å; F249-F258 HydrophobicContact CZ-CG 3.47Å; F249-F258 VanDerWaalsContact CZ-CG 3.47Å; F249-Y259 HydrophobicContact CE2-CE2 4.17Å
250D84.4Confident86.1Confident78 Ų7848 Ų4842%0.41722%0.224SC..SBendtrans-74.1-21.5179.8-68.5-53.2000114.2R239 L241R239-D250 IonicContact CZ-OD1 2.76Å; R239-D250 IonicContact CZ-OD2 2.64Å; R239-D250 IonicContact NE-OD1 3.19Å; R239-D250 PolarHBondContact NE-OD1 3.11Å; R239-D250 IonicContact NH2-OD1 3.16Å; R239-D250 PolarHBondContact NH2-OD1 2.87Å; R239-D250 IonicContact NH2-OD2 2.66Å; R239-D250 PolarHBondContact NH2-OD2 3.13Å; L241-D250 VanDerWaalsContact CD2-OD1 3.24Å; L241-D250 WeakPolarHBondContact CD2-OD1 3.34Å
251N87.8Confident86.1Confident41 Ų4147.9 Ų47.922%0.21924%0.242CC..SBendtrans-151155.6175.958.461.6000112F249 A254 L255F249-N251 VanDerWaalsContact C-N 3.35Å; F249-N251 PolarHBondContact O-N 3.42Å; N251-A254 WeakPolarHBondContact O-CB 3.25Å; N251-A254 PolarHBondContact O-N 2.98Å; N251-A254 VanDerWaalsContact O-N 3.13Å; N251-A254 VanDerWaalsContact OD1-CB 3.28Å; N251-A254 WeakPolarHBondContact OD1-CB 3.46Å; N251-A254 PolarHBondContact OD1-N 2.75Å; N251-L255 PolarHBondContact O-N 3.44Å
252V89.8Confident85.8Confident1 Ų148.8 Ų48.81%0.00626%0.257CS..Hα-helixtrans-58.4-41-179.9177.70000112.7L174 W179 Y211 I226 F242 A254 L255 I256L174-V252 HydrophobicContact CD1-CB 4.33Å; L174-V252 HydrophobicContact CD2-CB 4.14Å; L174-V252 HydrophobicContact CD2-CG1 4.31Å; L174-V252 HydrophobicContact CD2-CG2 4.35Å; L174-V252 HydrophobicContact CG-CB 4.4Å; W179-V252 HydrophobicContact CH2-CG1 4.31Å; W179-V252 HydrophobicContact CZ3-CG1 4.45Å; Y211-V252 HydrophobicContact CD2-CG2 3.79Å; Y211-V252 HydrophobicContact CE2-CG2 4.18Å; I226-V252 HydrophobicContact CD1-CG1 3.79Å; I226-V252 HydrophobicContact CD1-CG2 4.39Å; I226-V252 HydrophobicContact CG2-CG2 4.47Å; F242-V252 HydrophobicContact CB-CG2 4.41Å; F242-V252 HydrophobicContact CD1-CG2 3.68Å; F242-V252 HydrophobicContact CD2-CG2 4.37Å; F242-V252 HydrophobicContact CE1-CG2 3.99Å; F242-V252 HydrophobicContact CG-CG2 3.88Å; F242-V252 HydrophobicContact CZ-CG2 4.47Å; V252-A254 VanDerWaalsContact C-N 3.32Å; V252-A254 PolarHBondContact O-N 3.02Å; V252-L255 WeakPolarHBondContact O-CB 3.34Å; V252-L255 PolarHBondContact O-N 2.79Å; V252-I256 HydrophobicContact CG1-CG1 4.15Å; V252-I256 WeakPolarHBondContact O-CG1 3.21Å; V252-I256 PolarHBondContact O-N 2.67Å
253P90.7Very high85.6Confident0 Ų052.6 Ų52.60%028%0.278CS..Hα-helixtrans-60-34.1173.9-28.538000114.7L174 H177 W179 R257L174-P253 HydrophobicContact CD1-CG 4.42Å; H177-P253 VanDerWaalsContact CE1-CG 3.5Å; H177-P253 WeakPolarHBondContact CE1-CG 3.3Å; W179-P253 HydrophobicContact CH2-CG 4.24Å; W179-P253 HydrophobicContact CZ2-CB 4.36Å; W179-P253 HydrophobicContact CZ2-CG 4.45Å; P253-R257 WeakPolarHBondContact O-CB 3.25Å; P253-R257 VanDerWaalsContact O-CG 3.23Å; P253-R257 WeakPolarHBondContact O-CG 3.43Å; P253-R257 PolarHBondContact O-N 2.98Å; P253-R257 PolarHBondContact O-NE 2.86Å
254A87.7Confident85.4Confident29 Ų2958 Ų5824%0.2430%0.297CS..Hα-helixtrans-68-44173.800000111.8F249 N251 V252 R257 F258F249-A254 HydrophobicContact CB-CB 4.3Å; F249-A254 HydrophobicContact CD1-CB 4.4Å; N251-A254 WeakPolarHBondContact O-CB 3.25Å; N251-A254 PolarHBondContact O-N 2.98Å; N251-A254 VanDerWaalsContact O-N 3.13Å; N251-A254 VanDerWaalsContact OD1-CB 3.28Å; N251-A254 WeakPolarHBondContact OD1-CB 3.46Å; N251-A254 PolarHBondContact OD1-N 2.75Å; V252-A254 VanDerWaalsContact C-N 3.32Å; V252-A254 PolarHBondContact O-N 3.02Å; A254-R257 PolarHBondContact O-N 3.23Å; A254-F258 PolarHBondContact O-N 3.09Å
255L89.8Confident85.5Confident0 Ų060.2 Ų60.20%031%0.314CS..Hα-helixtrans-56.7-49.9173.4169.4153.8000111.6I226 F242 F244 F249 N251 V252 F258 Y259I226-L255 HydrophobicContact CD1-CD2 4.32Å; I226-L255 HydrophobicContact CG2-CD1 4.08Å; F242-L255 HydrophobicContact CB-CD1 4.1Å; F244-L255 HydrophobicContact CD2-CD1 4.31Å; F244-L255 HydrophobicContact CD2-CD2 4.27Å; F244-L255 HydrophobicContact CD2-CG 4.41Å; F244-L255 HydrophobicContact CE2-CD1 4.26Å; F244-L255 HydrophobicContact CE2-CD2 3.47Å; F244-L255 VanDerWaalsContact CE2-CD2 3.47Å; F244-L255 HydrophobicContact CE2-CG 4.07Å; F244-L255 HydrophobicContact CZ-CD2 3.82Å; F249-L255 HydrophobicContact CB-CB 3.95Å; F249-L255 HydrophobicContact CD2-CB 3.5Å; F249-L255 HydrophobicContact CD2-CD1 4Å; F249-L255 HydrophobicContact CD2-CG 3.91Å; F249-L255 HydrophobicContact CE2-CB 4.17Å; F249-L255 HydrophobicContact CE2-CG 4.28Å; F249-L255 HydrophobicContact CG-CB 3.74Å; N251-L255 PolarHBondContact O-N 3.44Å; V252-L255 WeakPolarHBondContact O-CB 3.34Å; V252-L255 PolarHBondContact O-N 2.79Å; L255-F258 PolarHBondContact O-N 2.84Å; L255-Y259 HydrophobicContact CG-CD2 4.41Å; L255-Y259 HydrophobicContact CG-CE2 4.41Å; L255-Y259 WeakPolarHBondContact O-CD2 3.33Å; L255-Y259 PolarHBondContact O-N 2.86Å
256I90.4Very high85.8Confident4 Ų456.9 Ų56.92%0.02130%0.298CS..Hα-helixtrans-63.6-44.7178.9-65.7-64.8000111.2W179 F199 V201 L213 V252 F258 Y259 V260 I274W179-I256 HydrophobicContact CH2-CB 4.31Å; W179-I256 HydrophobicContact CH2-CG1 3.93Å; W179-I256 HydrophobicContact CZ2-CB 4.16Å; W179-I256 HydrophobicContact CZ2-CG1 4.28Å; W179-I256 HydrophobicContact CZ2-CG2 4.1Å; W179-I256 HydrophobicContact CZ3-CG1 4.18Å; F199-I256 HydrophobicContact CE2-CG2 3.69Å; F199-I256 HydrophobicContact CZ-CG2 3.85Å; V201-I256 HydrophobicContact CG2-CD1 3.78Å; V201-I256 HydrophobicContact CG2-CG1 4.17Å; L213-I256 HydrophobicContact CD1-CD1 3.94Å; L213-I256 HydrophobicContact CD2-CD1 4.33Å; V252-I256 HydrophobicContact CG1-CG1 4.15Å; V252-I256 WeakPolarHBondContact O-CG1 3.21Å; V252-I256 PolarHBondContact O-N 2.67Å; I256-F258 VanDerWaalsContact C-N 3.27Å; I256-F258 PolarHBondContact O-N 2.82Å; I256-Y259 PolarHBondContact O-N 2.98Å; I256-V260 HydrophobicContact CG2-CG2 4.18Å; I256-V260 WeakPolarHBondContact O-CB 3.45Å; I256-V260 WeakPolarHBondContact O-CG2 3.39Å; I256-V260 PolarHBondContact O-N 2.93Å; I256-I274 HydrophobicContact CD1-CD1 4.26Å
257R88.6Confident86.3Confident141 Ų14151.3 Ų51.353%0.53227%0.274SS..Hα-helixtrans-60.1-34.4176.9-77.4175.1-70-165.4-0112.7P253 A254 G261P253-R257 WeakPolarHBondContact O-CB 3.25Å; P253-R257 VanDerWaalsContact O-CG 3.23Å; P253-R257 WeakPolarHBondContact O-CG 3.43Å; P253-R257 PolarHBondContact O-N 2.98Å; P253-R257 PolarHBondContact O-NE 2.86Å; A254-R257 PolarHBondContact O-N 3.23Å; R257-G261 WeakPolarHBondContact O-CA 3.31Å; R257-G261 PolarHBondContact O-N 3.24Å
258F87.6Confident86.2Confident72 Ų7255.1 Ų55.132%0.31629%0.287SS..Hα-helixtrans-68.6-49.3176.9178.9-95.4000112.8D247 F249 A254 L255 I256 G262D247-F258 HydrophobicContact CB-CE1 4.28Å; F249-F258 HydrophobicContact CD1-CB 4.48Å; F249-F258 HydrophobicContact CE1-CB 3.54Å; F249-F258 HydrophobicContact CE1-CD1 4.08Å; F249-F258 AromaticContact CE1-CD2 3.96Å; F249-F258 HydrophobicContact CE1-CD2 3.96Å; F249-F258 AromaticContact CE1-CG 3.61Å; F249-F258 HydrophobicContact CE1-CG 3.61Å; F249-F258 HydrophobicContact CE2-CD1 4.37Å; F249-F258 HydrophobicContact CZ-CB 3.67Å; F249-F258 AromaticContact CZ-CD1 3.43Å; F249-F258 HydrophobicContact CZ-CD1 3.43Å; F249-F258 VanDerWaalsContact CZ-CD1 3.43Å; F249-F258 HydrophobicContact CZ-CD2 4.09Å; F249-F258 AromaticContact CZ-CE1 3.97Å; F249-F258 HydrophobicContact CZ-CE1 3.97Å; F249-F258 AromaticContact CZ-CG 3.47Å; F249-F258 HydrophobicContact CZ-CG 3.47Å; F249-F258 VanDerWaalsContact CZ-CG 3.47Å; A254-F258 PolarHBondContact O-N 3.09Å; L255-F258 PolarHBondContact O-N 2.84Å; I256-F258 VanDerWaalsContact C-N 3.27Å; I256-F258 PolarHBondContact O-N 2.82Å; F258-G262 PolarHBondContact O-N 3.41Å
259Y86.8Confident85.8Confident6 Ų654.4 Ų54.42%0.02430%0.3CS..Hα-helixtrans-68.2-41.3-179-77.4-79.6000112.4F244 D247 F249 L255 I256 N263 R264 I266F244-Y259 HydrophobicContact CD2-CD2 4.01Å; F244-Y259 AromaticContact CD2-CE2 3.58Å; F244-Y259 HydrophobicContact CD2-CE2 3.58Å; F244-Y259 HydrophobicContact CE2-CD2 4.04Å; F244-Y259 HydrophobicContact CE2-CE2 4.08Å; D247-Y259 PolarHBondContact OD2-OH 3.49Å; F249-Y259 HydrophobicContact CE2-CE2 4.17Å; L255-Y259 HydrophobicContact CG-CD2 4.41Å; L255-Y259 HydrophobicContact CG-CE2 4.41Å; L255-Y259 WeakPolarHBondContact O-CD2 3.33Å; L255-Y259 PolarHBondContact O-N 2.86Å; I256-Y259 PolarHBondContact O-N 2.98Å; Y259-N263 PolarHBondContact O-N 3.2Å; Y259-N263 VanDerWaalsContact O-N 3.08Å; Y259-R264 HydrophobicContact CD1-CB 3.91Å; Y259-R264 HydrophobicContact CE1-CB 4.24Å; Y259-R264 PolarHBondContact O-N 2.99Å; Y259-I266 HydrophobicContact CD1-CG1 4.3Å
260V88.8Confident85.5Confident42 Ų4254 Ų5426%0.25530%0.301SS..Hα-helixtrans-68-47.7176.1176.60000111.4F199 I256 G262 N263 I274F199-V260 HydrophobicContact CE1-CG2 3.68Å; F199-V260 HydrophobicContact CZ-CG2 3.74Å; I256-V260 HydrophobicContact CG2-CG2 4.18Å; I256-V260 WeakPolarHBondContact O-CB 3.45Å; I256-V260 WeakPolarHBondContact O-CG2 3.39Å; I256-V260 PolarHBondContact O-N 2.93Å; V260-G262 VanDerWaalsContact C-N 3.28Å; V260-G262 PolarHBondContact O-N 3.25Å; V260-N263 PolarHBondContact O-N 2.82Å; V260-I274 HydrophobicContact CG2-CB 4.45Å; V260-I274 HydrophobicContact CG2-CD1 3.63Å; V260-I274 HydrophobicContact CG2-CG1 3.83Å
261G83.3Confident85.5Confident70 Ų7051.3 Ų51.372%0.72229%0.292SS*.Hα-helixtrans-69.4-24.6179.900000114R257R257-G261 WeakPolarHBondContact O-CA 3.31Å; R257-G261 PolarHBondContact O-N 3.24Å
262G81.4Confident85.5Confident41 Ų4149.4 Ų49.442%0.42328%0.282SS..Hα-helixtrans-96.1-8.2179.400000115.5F258 V260 R264F258-G262 PolarHBondContact O-N 3.41Å; V260-G262 VanDerWaalsContact C-N 3.28Å; V260-G262 PolarHBondContact O-N 3.25Å; G262-R264 PolarHBondContact O-N 2.89Å; G262-R264 VanDerWaalsContact O-N 3.17Å
263N82.9Confident85.4Confident104 Ų10451.2 Ų51.256%0.55629%0.291SS*.THydrogen-bonded Turntrans46.238.5-169.1-73.5-38.8000113.2Y259 V260 I273Y259-N263 PolarHBondContact O-N 3.2Å; Y259-N263 VanDerWaalsContact O-N 3.08Å; V260-N263 PolarHBondContact O-N 2.82Å; N263-I273 HydrophobicContact CB-CG2 4.25Å
264R83.6Confident85.4Confident133 Ų13351.2 Ų51.250%0.50229%0.291SS..  trans-88.4145.3-175.9-72.2179.8178.2-105.5-7.2111.1Y259 G262 I266Y259-R264 HydrophobicContact CD1-CB 3.91Å; Y259-R264 HydrophobicContact CE1-CB 4.24Å; Y259-R264 PolarHBondContact O-N 2.99Å; G262-R264 PolarHBondContact O-N 2.89Å; G262-R264 VanDerWaalsContact O-N 3.17Å; R264-I266 PolarHBondContact O-N 3.47Å
265P85.4Confident85.4Confident61 Ų6151.6 Ų51.640%0.39629%0.292SS..  trans-65.7130170.528.5-33.7000110S267 A272P265-S267 PolarHBondContact O-N 2.85Å; P265-A272 CarbonylContact C-O 3.59Å; P265-A272 VanDerWaalsContact CA-O 3.28Å; P265-A272 WeakPolarHBondContact CA-O 3.42Å
266I85.4Confident85.3Confident2 Ų256.2 Ų56.21%0.0131%0.313CS..SBendtrans-62.2-34177.8-68.3154.3000111.6L213 F224 F244 Y259 R264 A272 I274L213-I266 HydrophobicContact CD2-CD1 3.48Å; L213-I266 VanDerWaalsContact CD2-CD1 3.48Å; L213-I266 HydrophobicContact CD2-CG1 4.11Å; F224-I266 HydrophobicContact CB-CG2 3.92Å; F224-I266 HydrophobicContact CD1-CG2 3.96Å; F224-I266 HydrophobicContact CD2-CB 4.31Å; F224-I266 HydrophobicContact CD2-CD1 4.04Å; F224-I266 HydrophobicContact CD2-CG2 3.66Å; F224-I266 HydrophobicContact CE1-CG2 4.43Å; F224-I266 HydrophobicContact CE2-CB 4.35Å; F224-I266 HydrophobicContact CE2-CD1 4.08Å; F224-I266 HydrophobicContact CE2-CG2 4.15Å; F224-I266 HydrophobicContact CG-CG2 3.55Å; F244-I266 HydrophobicContact CB-CG2 4.3Å; F244-I266 HydrophobicContact CD1-CG2 3.98Å; F244-I266 HydrophobicContact CD2-CG2 3.69Å; F244-I266 HydrophobicContact CE1-CG2 4.17Å; F244-I266 HydrophobicContact CE2-CG2 3.89Å; F244-I266 HydrophobicContact CG-CG2 3.74Å; F244-I266 HydrophobicContact CZ-CG2 4.15Å; Y259-I266 HydrophobicContact CD1-CG1 4.3Å; R264-I266 PolarHBondContact O-N 3.47Å; I266-A272 PolarHBondContact N-O 3.46Å; I266-I274 HydrophobicContact CD1-CB 4.38Å; I266-I274 HydrophobicContact CD1-CD1 4.43Å; I266-I274 HydrophobicContact CD1-CG1 4.06Å; I266-I274 HydrophobicContact CD1-CG2 3.59Å; I266-I274 HydrophobicContact CG1-CG1 4.46Å
267S83.4Confident85.4Confident14 Ų1458.9 Ų58.910%0.09833%0.331CS..SBendtrans-145134.4178.8162.70000110.9E245 P265 T269 S270 G271E245-S267 VanDerWaalsContact CD-CA 3.43Å; E245-S267 WeakPolarHBondContact OE1-CA 3.41Å; E245-S267 WeakPolarHBondContact OE1-CB 3.37Å; E245-S267 PolarHBondContact OE1-OG 3.01Å; P265-S267 PolarHBondContact O-N 2.85Å; S267-T269 VanDerWaalsContact C-N 3.25Å; S267-T269 PolarHBondContact O-N 3.41Å; S267-T269 PolarHBondContact OG-OG1 2.85Å; S267-S270 PolarHBondContact O-N 3Å; S267-S270 PolarHBondContact O-OG 3.22Å; S267-G271 PolarHBondContact O-N 3.16Å
268K79.6Confident85.5Confident136 Ų13653.5 Ų53.559%0.59131%0.312SS*.THydrogen-bonded Turntrans-62.1-28.7-176-70170.4-171.9-176.40113.5E245 E246E245-K268 PolarHBondContact OE1-N 3.05Å; E245-K268 WeakPolarHBondContact OE2-CG 3.29Å; E245-K268 PolarHBondContact OE2-N 3.19Å; E246-K268 IonicContact OE1-NZ 2.72Å; E246-K268 PolarHBondContact OE1-NZ 2.86Å; E246-K268 IonicContact OE2-NZ 3.5Å; E246-K268 PolarHBondContact OE2-NZ 3.44Å
269T77.8Confident85.5Confident137 Ų13754.5 Ų54.584%0.8432%0.321SS*.THydrogen-bonded Turntrans-81.7-29.9178.623.20000114.1S267S267-T269 VanDerWaalsContact C-N 3.25Å; S267-T269 PolarHBondContact O-N 3.41Å; S267-T269 PolarHBondContact OG-OG1 2.85Å
270S80.6Confident85.5Confident21 Ų2154.8 Ų54.815%0.14732%0.322CS..THydrogen-bonded Turntrans-87.8-36.8176.763.70000112.6K218 F224 S267 A272K218-S270 PolarHBondContact NZ-O 3.09Å; F224-S270 WeakPolarHBondContact CZ-OG 3.33Å; S267-S270 PolarHBondContact O-N 3Å; S267-S270 PolarHBondContact O-OG 3.22Å; S270-A272 PolarHBondContact O-N 3.33Å; S270-A272 PolarHBondContact OG-N 3.2Å
271G84.3Confident85.3Confident23 Ų2357.4 Ų57.424%0.23734%0.338CS..  trans62.325.7-16700000113.1W217 S267W217-G271 PolarHBondContact NE1-O 2.9Å; S267-G271 PolarHBondContact O-N 3.16Å
272A87.3Confident85.4Confident0 Ų055.6 Ų55.60%031%0.312CS..  trans-76.4124.6-178.900000112W217 F224 P265 I266 S270W217-A272 HydrophobicContact CB-CB 4.18Å; W217-A272 VanDerWaalsContact CD1-CA 3.45Å; W217-A272 HydrophobicContact CG-CB 4.1Å; F224-A272 HydrophobicContact CE2-CB 3.76Å; F224-A272 HydrophobicContact CZ-CB 3.68Å; P265-A272 CarbonylContact C-O 3.59Å; P265-A272 VanDerWaalsContact CA-O 3.28Å; P265-A272 WeakPolarHBondContact CA-O 3.42Å; I266-A272 PolarHBondContact N-O 3.46Å; S270-A272 PolarHBondContact O-N 3.33Å; S270-A272 PolarHBondContact OG-N 3.2Å
273I88.8Confident85.6Confident40 Ų4053.6 Ų53.621%0.20529%0.292CS..  trans-111.4147.8178.2-56.4170.2000107.9W217 N263W217-I273 HydrophobicContact CH2-CB 3.73Å; W217-I273 HydrophobicContact CH2-CD1 4.06Å; W217-I273 HydrophobicContact CH2-CG1 4.17Å; W217-I273 HydrophobicContact CZ2-CB 3.96Å; W217-I273 HydrophobicContact CZ2-CD1 3.92Å; W217-I273 HydrophobicContact CZ2-CG1 3.97Å; W217-I273 HydrophobicContact CZ3-CB 4.08Å; N263-I273 HydrophobicContact CB-CG2 4.25Å
274I90.7Very high85.7Confident0 Ų049.6 Ų49.60%027%0.27CS..  trans-118.8137.8176.951163.8000111.2F199 L213 C215 I256 V260 I266F199-I274 HydrophobicContact CB-CB 4.09Å; F199-I274 HydrophobicContact CB-CG2 3.59Å; F199-I274 HydrophobicContact CD1-CB 3.71Å; F199-I274 HydrophobicContact CD1-CD1 4.37Å; F199-I274 HydrophobicContact CD1-CG2 4.21Å; F199-I274 HydrophobicContact CD2-CD1 4.31Å; F199-I274 HydrophobicContact CE1-CB 4.35Å; F199-I274 HydrophobicContact CE1-CD1 4.5Å; F199-I274 HydrophobicContact CE2-CD1 4.46Å; F199-I274 HydrophobicContact CG-CB 3.98Å; F199-I274 HydrophobicContact CG-CD1 4.26Å; F199-I274 HydrophobicContact CG-CG2 4.03Å; L213-I274 HydrophobicContact CD1-CD1 4.39Å; L213-I274 HydrophobicContact CD2-CD1 3.93Å; L213-I274 HydrophobicContact CD2-CG2 4.45Å; C215-I274 HydrophobicContact CB-CG2 3.56Å; I256-I274 HydrophobicContact CD1-CD1 4.26Å; V260-I274 HydrophobicContact CG2-CB 4.45Å; V260-I274 HydrophobicContact CG2-CD1 3.63Å; V260-I274 HydrophobicContact CG2-CG1 3.83Å; I266-I274 HydrophobicContact CD1-CB 4.38Å; I266-I274 HydrophobicContact CD1-CD1 4.43Å; I266-I274 HydrophobicContact CD1-CG1 4.06Å; I266-I274 HydrophobicContact CD1-CG2 3.59Å; I266-I274 HydrophobicContact CG1-CG1 4.46Å
275S86.8Confident85.7Confident36 Ų3648.6 Ų48.625%0.25227%0.266SS..  trans-138.9-38.9-176.757.40000113.1G197G197-S275 PolarHBondContact O-N 3.39Å; G197-S275 PolarHBondContact O-OG 3.37Å
276H88.9Confident85.6Confident98 Ų9846.7 Ų46.745%0.45425%0.253SS..EExtended strand (participates in β ladder)trans-111.9111.2-169.6-50.2131.7000112G197 D198 F199 I278G197-H276 PolarHBondContact O-N 3.25Å; D198-H276 CarbonylContact C-O 3.59Å; D198-H276 WeakPolarHBondContact CA-O 3.36Å; D198-H276 WeakPolarHBondContact OD1-CB 3.35Å; D198-H276 IonicContact OD1-CG 3.54Å; D198-H276 IonicContact OD1-ND1 3.83Å; D198-H276 PolarHBondContact OD1-ND1 3.37Å; F199-H276 VanDerWaalsContact CD1-O 3.23Å; F199-H276 WeakPolarHBondContact CD1-O 3.45Å; F199-H276 PolarHBondContact N-O 3.27Å; H276-I278 PolarHBondContact O-N 3.21Å
277P91.3Very high85.4Confident59 Ų5947.6 Ų47.638%0.38326%0.258SS..EExtended strand (participates in β ladder)trans-74.5122.2177.526.7-31.6000111.9W179 F199 N279W179-P277 HydrophobicContact CB-CB 3.8Å; W179-P277 HydrophobicContact CG-CB 4.3Å; F199-P277 HydrophobicContact CE1-CB 3.99Å; F199-P277 HydrophobicContact CE2-CB 4.45Å; F199-P277 HydrophobicContact CZ-CB 3.83Å; P277-N279 PolarHBondContact O-N 3.01Å
278I90.1Very high84.9Confident28 Ų2847.9 Ų47.914%0.14426%0.263CS..  trans-75104.8168.6-64.5172.3000108.3H181 L192 F193 D198 F199 L200 H276H181-I278 PolarHBondContact NE2-O 2.98Å; L192-I278 HydrophobicContact CB-CD1 4.15Å; L192-I278 HydrophobicContact CB-CG2 4.35Å; L192-I278 WeakPolarHBondContact O-CD1 3.28Å; F193-I278 HydrophobicContact CD1-CD1 3.31Å; F193-I278 HydrophobicContact CE1-CD1 3.63Å; F193-I278 HydrophobicContact CG-CD1 4.15Å; D198-I278 HydrophobicContact CB-CD1 4.1Å; D198-I278 HydrophobicContact CB-CG1 4.26Å; F199-I278 PolarHBondContact O-N 3.42Å; L200-I278 HydrophobicContact CB-CB 4.39Å; L200-I278 HydrophobicContact CD2-CB 4.46Å; L200-I278 HydrophobicContact CD2-CD1 4.28Å; L200-I278 HydrophobicContact CD2-CG2 4.39Å; H276-I278 PolarHBondContact O-N 3.21Å
279N89.2Confident84.4Confident94 Ų9446 Ų4650%0.50326%0.256SS..  trans-80.8128.6180-66.3-37.5000111.8A178 P277A178-N279 HydrophobicContact CB-CB 3.89Å; A178-N279 VanDerWaalsContact CB-OD1 3.29Å; A178-N279 WeakPolarHBondContact CB-OD1 3.38Å; A178-N279 CarbonylContact O-C 3.53Å; A178-N279 WeakPolarHBondContact O-CA 3.42Å; P277-N279 PolarHBondContact O-N 3.01Å
280R86.9Confident83.5Confident11 Ų1141.2 Ų41.24%0.04223%0.234CC..  trans-66144.6174.570.2-155.1-176.179.5-8112.3L163 E166 R175 A178 Y180 L282 I287L163-R280 HydrophobicContact CD1-CG 4.07Å; L163-R280 VanDerWaalsContact CD1-NH1 3.26Å; E166-R280 IonicContact OE2-CZ 3.35Å; E166-R280 IonicContact OE2-NH1 3.41Å; E166-R280 PolarHBondContact OE2-NH1 3.27Å; E166-R280 IonicContact OE2-NH2 3.47Å; E166-R280 PolarHBondContact OE2-NH2 2.65Å; R175-R280 PolarHBondContact O-NH2 2.88Å; A178-R280 WeakPolarHBondContact O-CG 3.41Å; A178-R280 PolarHBondContact O-N 2.89Å; Y180-R280 WeakPolarHBondContact O-CD 3.25Å; Y180-R280 PolarHBondContact O-NE 3.43Å; R280-L282 PolarHBondContact NH1-O 3.44Å; R280-I287 HydrophobicContact CB-CD1 4.18Å
281T83.1Confident82.3Confident97 Ų9741 Ų4160%0.59523%0.231SC*.SBendtrans-112.45.2-179.451.60000113.5
282L85.3Confident80.6Confident32 Ų3245.7 Ų45.717%0.16825%0.248CC..SBendtrans-136.1155.9178.6-65.6173.6000110.5L147 R280 V286 I287L147-L282 HydrophobicContact CD2-CD2 4.21Å; R280-L282 PolarHBondContact NH1-O 3.44Å; L282-V286 HydrophobicContact CD1-CG1 4.12Å; L282-I287 HydrophobicContact CB-CG1 4.21Å
283P86.1Confident78.4Confident0 Ų051.7 Ų51.70%028%0.276CS..  trans-58.2152.5170.3-23.934.8000112.8L159 E162 L163 E166 R285 V286 I287L159-P283 HydrophobicContact CD2-CG 4.15Å; L159-P283 WeakPolarHBondContact O-CG 3.37Å; E162-P283 HydrophobicContact CB-CB 4.36Å; E162-P283 HydrophobicContact CB-CG 3.7Å; E162-P283 HydrophobicContact CG-CB 3.79Å; E162-P283 HydrophobicContact CG-CG 3.67Å; L163-P283 HydrophobicContact CB-CG 4.27Å; E166-P283 WeakPolarHBondContact OE2-CA 3.45Å; P283-R285 PolarHBondContact O-N 3.03Å; P283-V286 HydrophobicContact CB-CG2 4.46Å; P283-V286 HydrophobicContact CG-CG2 4.47Å; P283-V286 PolarHBondContact O-N 3.45Å; P283-I287 PolarHBondContact O-N 2.91Å
284L85.8Confident76.3Confident19 Ų1955.2 Ų55.210%0.09930%0.295CS..Hα-helixtrans-62-34.8-177.3-65.7174.1000112.4E166 R175 Y180 V286 I287 G288E166-L284 PolarHBondContact OE1-N 2.84Å; E166-L284 VanDerWaalsContact OE1-N 3.09Å; E166-L284 PolarHBondContact OE2-N 3.05Å; R175-L284 HydrophobicContact CB-CD1 3.8Å; R175-L284 HydrophobicContact CG-CD1 3.53Å; Y180-L284 HydrophobicContact CD1-CD1 4.11Å; Y180-L284 HydrophobicContact CD1-CD2 4.23Å; Y180-L284 HydrophobicContact CE1-CD1 3.97Å; Y180-L284 HydrophobicContact CE1-CD2 4.45Å; Y180-L284 WeakPolarHBondContact O-CD2 3.31Å; L284-V286 PolarHBondContact O-N 3.41Å; L284-I287 PolarHBondContact O-N 3.17Å; L284-G288 PolarHBondContact O-N 3.46Å; L284-G288 VanDerWaalsContact O-N 3.1Å
285R84.1Confident73.9Confident112 Ų11261.8 Ų61.842%0.42332%0.323SS..Hα-helixtrans-55-50.1175.6-176.8-177.560.574.24.9112.1E162 P283 I287 G288 E289E162-R285 IonicContact OE1-CZ 2.75Å; E162-R285 IonicContact OE1-NE 2.67Å; E162-R285 PolarHBondContact OE1-NE 2.74Å; E162-R285 IonicContact OE1-NH2 2.89Å; E162-R285 PolarHBondContact OE1-NH2 3.1Å; E162-R285 IonicContact OE2-CZ 3.99Å; E162-R285 IonicContact OE2-NE 2.98Å; E162-R285 IonicContact OE2-NH2 3.17Å; E162-R285 PolarHBondContact OE2-NH2 3.32Å; P283-R285 PolarHBondContact O-N 3.03Å; R285-I287 VanDerWaalsContact C-N 3.34Å; R285-I287 PolarHBondContact O-N 2.9Å; R285-G288 PolarHBondContact O-N 2.82Å; R285-G288 VanDerWaalsContact O-N 3.17Å; R285-E289 WeakPolarHBondContact CD-OE1 3.36Å; R285-E289 HydrophobicContact CG-CG 4.43Å; R285-E289 WeakPolarHBondContact CG-OE1 3.47Å; R285-E289 IonicContact CZ-OE1 2.98Å; R285-E289 IonicContact CZ-OE2 3.49Å; R285-E289 IonicContact NH1-OE1 3.85Å; R285-E289 PolarHBondContact NH1-OE1 3.17Å; R285-E289 IonicContact NH1-OE2 3.88Å; R285-E289 PolarHBondContact NH1-OE2 3.32Å; R285-E289 WeakPolarHBondContact O-CG 3.47Å; R285-E289 PolarHBondContact O-N 3.1Å
286V82.4Confident71.5Confident21 Ų2167.6 Ų67.613%0.12735%0.351CS..Hα-helixtrans-65.8-36.2-179.2-178.70000111.8L159 L282 P283 L284 G288 G290L159-V286 HydrophobicContact CD2-CG2 3.7Å; L282-V286 HydrophobicContact CD1-CG1 4.12Å; P283-V286 HydrophobicContact CB-CG2 4.46Å; P283-V286 HydrophobicContact CG-CG2 4.47Å; P283-V286 PolarHBondContact O-N 3.45Å; L284-V286 PolarHBondContact O-N 3.41Å; V286-G288 VanDerWaalsContact C-N 3.29Å; V286-G288 PolarHBondContact O-N 3.37Å; V286-G290 PolarHBondContact O-N 2.83Å; V286-G290 VanDerWaalsContact O-N 3.13Å
287I80.6Confident69Low22 Ų2268 Ų6811%0.11337%0.365CS..Hα-helixtrans-65.1-34.6176.5-61.7169.7000110.9H181 L184 R280 L282 P283 L284 R285 H291H181-I287 WeakPolarHBondContact O-CG2 3.37Å; L184-I287 HydrophobicContact CB-CG2 4.36Å; L184-I287 HydrophobicContact CD1-CG2 4.02Å; R280-I287 HydrophobicContact CB-CD1 4.18Å; L282-I287 HydrophobicContact CB-CG1 4.21Å; P283-I287 PolarHBondContact O-N 2.91Å; L284-I287 PolarHBondContact O-N 3.17Å; R285-I287 VanDerWaalsContact C-N 3.34Å; R285-I287 PolarHBondContact O-N 2.9Å; I287-H291 PolarHBondContact O-CD2 2.93Å
288G74.4Confident66.4Low19 Ų1969.9 Ų69.920%0.19638%0.38CS..Hα-helixtrans-73-50.9172.600000113.8L284 R285 V286 H291L284-G288 PolarHBondContact O-N 3.46Å; L284-G288 VanDerWaalsContact O-N 3.1Å; R285-G288 PolarHBondContact O-N 2.82Å; R285-G288 VanDerWaalsContact O-N 3.17Å; V286-G288 VanDerWaalsContact C-N 3.29Å; V286-G288 PolarHBondContact O-N 3.37Å; G288-H291 PolarHBondContact O-N 3.15Å
289E69.1Low63.7Low96 Ų9674.6 Ų74.645%0.44942%0.415SS..Hα-helixtrans-57.3-52.4-176.4-74.4167.7179.700112.2R285 H291 M292R285-E289 WeakPolarHBondContact CD-OE1 3.36Å; R285-E289 HydrophobicContact CG-CG 4.43Å; R285-E289 WeakPolarHBondContact CG-OE1 3.47Å; R285-E289 IonicContact CZ-OE1 2.98Å; R285-E289 IonicContact CZ-OE2 3.49Å; R285-E289 IonicContact NH1-OE1 3.85Å; R285-E289 PolarHBondContact NH1-OE1 3.17Å; R285-E289 IonicContact NH1-OE2 3.88Å; R285-E289 PolarHBondContact NH1-OE2 3.32Å; R285-E289 WeakPolarHBondContact O-CG 3.47Å; R285-E289 PolarHBondContact O-N 3.1Å; E289-H291 PolarHBondContact O-N 2.79Å; E289-M292 PolarHBondContact O-N 3.27Å
290G59Low60.8Low37 Ų3773.7 Ų73.738%0.38143%0.429SS..THydrogen-bonded Turntrans-62.6-12.7-176.200000115V286 L294V286-G290 PolarHBondContact O-N 2.83Å; V286-G290 VanDerWaalsContact O-N 3.13Å; G290-L294 WeakPolarHBondContact O-CD1 3.38Å
291H54.7Low58.2Low17 Ų1779.1 Ų79.18%0.07946%0.463CS..THydrogen-bonded Turntrans-95.9-5.6175.8-84.5-45.5000114.9Y143 R185 A188 I287 G288 E289Y143-H291 PolarHBondContact OH-CE1 3.41Å; R185-H291 VanDerWaalsContact CZ-O 3.25Å; R185-H291 PolarHBondContact NH1-O 3.24Å; R185-H291 PolarHBondContact NH2-O 2.83Å; A188-H291 VanDerWaalsContact CB-CE1 3.41Å; A188-H291 WeakPolarHBondContact CB-CE1 3.22Å; A188-H291 WeakPolarHBondContact CB-NE2 3.35Å; I287-H291 PolarHBondContact O-CD2 2.93Å; G288-H291 PolarHBondContact O-N 3.15Å; E289-H291 PolarHBondContact O-N 2.79Å
292M47.7Very low55.7Low121 Ų12183 Ų8360%0.59648%0.478SS*.THydrogen-bonded Turntrans-81.3-43.1174.2-62.8-123.164.700111.3E289 L294 K295E289-M292 PolarHBondContact O-N 3.27Å; M292-L294 PolarHBondContact O-N 2.87Å; M292-K295 PolarHBondContact O-N 2.78Å
293E41.4Very low52.9Low127 Ų12784.3 Ų84.359%0.59350%0.5SS*.G310 helixtrans-61.1-37-172.5-58-166.5131.600114H146 K295 N296H146-E293 IonicContact CE1-OE2 2.69Å; E293-K295 PolarHBondContact O-N 3.13Å; E293-N296 PolarHBondContact O-N 3.02Å
294L44.9Very low50.1Low114 Ų11496.9 Ų96.960%0.59755%0.547SS*.G310 helixtrans-62.2-16.4-179-82.780.8000114.2G290 M292 N296G290-L294 WeakPolarHBondContact O-CD1 3.38Å; M292-L294 PolarHBondContact O-N 2.87Å; L294-N296 VanDerWaalsContact C-N 3.3Å; L294-N296 PolarHBondContact O-N 2.86Å
295K40.8Very low47.3Very low138 Ų13899.3 Ų99.360%0.658%0.576SS**G310 helixtrans-70.1-22.1-179.5-78.4-169.5170.4-1730114.2M292 E293 S297M292-K295 PolarHBondContact O-N 2.78Å; E293-K295 PolarHBondContact O-N 3.13Å; K295-S297 VanDerWaalsContact C-N 3.33Å; K295-S297 PolarHBondContact O-N 3.34Å
296N36.4Very low44.6Very low157 Ų157105.2 Ų105.284%0.8460%0.599SS**G310 helixtrans-86.4-1.7-176-71.1-5.7000113.9E293 L294E293-N296 PolarHBondContact O-N 3.02Å; L294-N296 VanDerWaalsContact C-N 3.3Å; L294-N296 PolarHBondContact O-N 2.86Å
297S36Very low41.9Very low106 Ų106111.3 Ų111.374%0.74163%0.626SS**G310 helixtrans-107.7-2.8-167.3-55.80000115.2K295K295-S297 VanDerWaalsContact C-N 3.33Å; K295-S297 PolarHBondContact O-N 3.34Å
298S36.9Very low39.5Very low99 Ų99117.2 Ų117.269%0.69266%0.658SS**  trans-141.362.9-165.2680000115.7
299S32.9Very low37.3Very low127 Ų127124.4 Ų124.489%0.88869%0.686SS**  trans-149.1110.5157.365.20000111.4
300G29.2Very low35.3Very low76 Ų76124.6 Ų124.678%0.78470%0.704SS**  trans172.589.8176.400000116.3
301T31.8Very low33.9Very low125 Ų125126.7 Ų126.777%0.76773%0.726SS**  trans-147.6112.1163.443.10000111.9
302I30.3Very low32.9Very low178 Ų178131.6 Ų131.691%0.91376%0.762SS**  trans64.6129.6145.5-49.8165.9000117.4
303G27.2Very low32Very low60 Ų60130.8 Ų130.862%0.61977%0.768SS**  cis160.7164.8-5.700000113.7
304R26.8Very low31.4Very low264 Ų264133.9 Ų133.9100%0.99678%0.78SS**  trans69.4142.3-178.1-63.7172.7148.6-175.5-7.8116
305G25.9Very low30.6Very low69 Ų69138.7 Ų138.771%0.71179%0.79SS**  cis171.3166.4-8.200000113.8
306R28.3Very low29.9Very low236 Ų236142.6 Ų142.689%0.89180%0.801SS**  trans67.2156.8-176.4-66.3170.368.5179.61.2116.2
307E26.1Very low29.4Very low149 Ų149140 Ų14070%0.69680%0.795SS**  cis-174.5128-48.9-117.8179.2134.700109.3
308N28.9Very low29.5Very low146 Ų146143.3 Ų143.378%0.78180%0.804SS**  trans160.2109.3156.9-85.7-18.1000106.1
309Q29Very low28.9Very low171 Ų171144 Ų14480%0.79981%0.809SS**  58.5119.369.3-59.8-163.355.200112.3
310A27.6Very low28.6Very low100 Ų100142.9 Ų142.983%0.82680%0.8SS**  cis-140.4156.1-4.400000108.9
311G28.4Very low28.6Very low81 Ų81143.2 Ų143.284%0.83579%0.791SS**  112.2136.271.100000107.9
312S34.4Very low28.4Very low120 Ų120145.4 Ų145.484%0.83979%0.792SS**  cis-133.5158.720.6-177.60000112.2
313S28Very low28.3Very low103 Ų103145.3 Ų145.372%0.7279%0.787SS**  trans-139.7139.3178.2-43.70000112
314K30.5Very low28.4Very low192 Ų192149.4 Ų149.484%0.83580%0.795SS**  trans174.7144.9159.1-91.9138.1-165.2175.40108.1
315R27.1Very low28.3Very low216 Ų216142.6 Ų142.682%0.81578%0.783SS**  cis-159.7133.4-7.1-131.2179.6-176.9-145.74.1111.9
316R26.6Very low28.7Very low219 Ų219147.7 Ų147.783%0.82679%0.793SS**  trans20.3123.5134-62.4-174.2176.7-154.9-2.5121.1
317S25.6Very low28.6Very low103 Ų103144 Ų14472%0.7279%0.786SS**  68114.2114.7-47.90000122.4
318L37.3Very low28.8Very low176 Ų176145 Ų14592%0.92180%0.795SS**  45.5113.4125.3-57.5175.9000121.3
319S24.9Very low28.8Very low114 Ų114144.3 Ų144.380%0.79779%0.79SS**  -133.1146.1127.955.10000106.9
320S26.8Very low29.4Very low102 Ų102143 Ų14371%0.71379%0.789SS**  cis90.996.927.2-158.90000115.3
321S29.1Very low29.8Very low83 Ų83143.2 Ų143.258%0.5878%0.782SS**  77.8131.3129.765.60000122.3
322H28.7Very low29.8Very low171 Ų171146 Ų14679%0.79278%0.777SS**  trans74.8150.4162.8-50.4-58.5000116.8
323Q27.2Very low29.6Very low176 Ų176147.8 Ų147.882%0.82278%0.776SS**  cis-146.2166.96.8-150.8165.7-0.100112.6
324D29Very low29.8Very low146 Ų146154.5 Ų154.578%0.78179%0.786SS**  trans-66.3149.2178-52-94.1000114.6
325T25.8Very low29.8Very low122 Ų122150.7 Ų150.775%0.74878%0.783SS**  trans-150.4120.3140-49.20000110.3Q327T325-Q327 HydrophobicContact CG2-CG 4.02Å
326L32.5Very low29.8Very low175 Ų175143.5 Ų143.592%0.91678%0.777SS**  trans-76.9122164.8-74.7168.5000109.2
327Q26.5Very low30.1Very low158 Ų158138.9 Ų138.974%0.73878%0.778SS**  trans-127.6108.1164.1-71.4-160.8-8.200111.2T325 I329T325-Q327 HydrophobicContact CG2-CG 4.02Å; Q327-I329 PolarHBondContact O-N 3.19Å
328L31.9Very low30.4Very low170 Ų170142.8 Ų142.889%0.8979%0.785SS**  trans-79.3109169174.2134.2000108.5
329I27.1Very low31.5Very low133 Ų133139.9 Ų139.968%0.68278%0.776SS**  trans-133.2115168.2-57-177.6000108.7Q327 P331Q327-I329 PolarHBondContact O-N 3.19Å; I329-P331 HydrophobicContact CG2-CG 4.34Å
330N42.1Very low31.6Very low142 Ų142139.1 Ų139.176%0.75978%0.777SS**  trans-122101.8171.917813.5000108.9
331P35.5Very low31.7Very low106 Ų106141.1 Ų141.169%0.68878%0.78SS**  trans-10489.5178.833.6-21.9000112I329I329-P331 HydrophobicContact CG2-CG 4.34Å
332L28.5Very low31.9Very low139 Ų139143.7 Ų143.773%0.72879%0.786SS**  trans17.2125.8130.4-64.7165000119.7
333L32Very low32.2Very low157 Ų157142.8 Ų142.882%0.82278%0.782SS**  trans61.6109.4131.1-61.6173.2000121.7
334R31.7Very low32.4Very low244 Ų244139.9 Ų139.992%0.92177%0.773SS**  trans-150.2119.4134.8-127.7178.9170.3174.9-3.3106.5
335S30Very low32.5Very low112 Ų112139.5 Ų139.578%0.78378%0.775SS**  cis68.6120.441.2-162.90000112.6
336G27.4Very low32.6Very low66 Ų66136.9 Ų136.968%0.6877%0.772SS**  cis-141.1-152.3-3.700000110.5
337S31.7Very low32.6Very low122 Ų122140.6 Ų140.685%0.85377%0.774SS**  cis-158.4165.35.1-62.10000110.6
338Q33.7Very low32.9Very low184 Ų184144.5 Ų144.586%0.8678%0.782SS**  trans-102.1-148.4171-64.9-174.1-13.200111
339P59.3Low33.3Very low115 Ų115142.4 Ų142.475%0.74778%0.778SS**  -127.6174-77.333-16.1000114.9
340A27.1Very low33.6Very low98 Ų98141 Ų14181%0.8178%0.78SS**  trans169.5135.7142.400000109.3
341N29.8Very low32.9Very low145 Ų145141.7 Ų141.778%0.77578%0.783SS**  cis93.5143.59.3-154.719.4000117.3
342L32.2Very low32.7Very low136 Ų136144.7 Ų144.771%0.71279%0.788SS**  trans72.3147.9-179.7-49.3168.1000114.1
343E34.6Very low32.6Very low153 Ų153143.5 Ų143.572%0.71579%0.791SS**  cis-166.8169.9-7.1-120.3-170.4-110.700108.3
344N31.4Very low32.6Very low115 Ų115140.4 Ų140.462%0.61579%0.789SS**  cis-161.3169.5-11.3-155.1-22000109.6
345V32.1Very low32.4Very low137 Ų137137.6 Ų137.683%0.8379%0.786SS**  trans52.5154.7165.3-66.10000119.8
346G27.7Very low32.4Very low67 Ų67137 Ų13769%0.69178%0.782SS**  cis160.5152.3-10.100000113.8
347R31.7Very low32.6Very low253 Ų253140.3 Ų140.396%0.95578%0.784SS**  trans76.5141.6173.6-53.1-170.4-174.6-81.70.2119.6
348R33.3Very low32.6Very low241 Ų241138.4 Ų138.491%0.90977%0.771SS**  trans-74.9160.6156.8-89.4-177.6-176.4-178.81.6109.4
349P41.2Very low32.7Very low125 Ų125135.4 Ų135.481%0.81276%0.761SS**  -146.6-169.653.142.4-21.6000117
350S32.7Very low31.7Very low103 Ų103136.3 Ų136.372%0.7276%0.759SS**  trans-74.9152.7176.551.90000114.4
351L27.7Very low32.1Very low157 Ų157142.1 Ų142.182%0.82276%0.76SS**  -170.3177.8120.8-103.1168.2000112.2
352Q30.2Very low32.1Very low169 Ų169141.1 Ų141.179%0.7976%0.759SS**  trans-91159.8-174.9-52.1141.1-65.800112.4
353S28.2Very low31.9Very low114 Ų114138.4 Ų138.480%0.79776%0.764SS**  169.6127.8124.759.50000114.8
354A30.1Very low31.8Very low93 Ų93135.8 Ų135.877%0.76977%0.768SS**  trans163.7121.5154.500000106.3
355Q28.7Very low32.4Very low184 Ų184136.1 Ų136.186%0.8678%0.776SS**  cis66.1143.326.2-56.5-167.9-71.100115.1
356S30Very low32.3Very low101 Ų101136.7 Ų136.771%0.70677%0.77SS**  cis-96.9-157.1-1.559.20000111.5
357D31.3Very low32.4Very low135 Ų135141.2 Ų141.272%0.72277%0.771SS**  cis-152.9-152.46.2-141.6-59.6000113.7
358S31.6Very low32.6Very low81 Ų81135.7 Ų135.757%0.56677%0.765SS**  trans-147.5157.3-161.753.20000111
359N36.7Very low33.9Very low122 Ų122129.6 Ų129.665%0.65276%0.756SS**  -172.8133.173.1-85.7-76.1000110.6
360L37.3Very low34.4Very low134 Ų134128.7 Ų128.770%0.70275%0.751SS**  69.8144.3102.7-60.7-175.3000116.6
361R35.5Very low34.4Very low220 Ų220130.9 Ų130.983%0.8375%0.754SS**  cis-145.3-176.83.1-86.3-144.7178.7179.4-1109.6
362T30Very low34.5Very low124 Ų124129.6 Ų129.676%0.76175%0.748SS**  cis172.6129.5-41.9-69.70000107.8
363G27.2Very low34.5Very low79 Ų79127.2 Ų127.281%0.81475%0.745SS**  trans-177.6137.8170.800000114.9
364A32.3Very low34.5Very low97 Ų97128.3 Ų128.380%0.80274%0.742SS**  trans-150.5173.7178.600000109.4
365P44.2Very low34.5Very low122 Ų122128.4 Ų128.479%0.79274%0.738SS**  -157.4167.778.541-19.3000119.9
366E31.2Very low34.6Very low150 Ų150127 Ų12770%0.70174%0.736SS**  trans15.1143148.5-59.5-157.4122.700129.2
367K28.4Very low35.7Very low161 Ų161126.7 Ų126.770%0.773%0.732SS**  trans78.9102.5132.6-74.5164.9-174153.90126
368V36.4Very low35.7Very low137 Ų137127.4 Ų127.483%0.8373%0.734SS**  21.5149.4106.7-172.50000120
369P60.7Low36Very low113 Ų113128.5 Ų128.573%0.73474%0.741SS**  cis-126.1-133.5-10.637-13.6000111.9
370P52.9Low36.8Very low107 Ų107127.8 Ų127.870%0.69574%0.744SS**  cis-137.7174.4-26.640.5-21.3000119.1
371D31.4Very low36.6Very low149 Ų149126.7 Ų126.780%0.79774%0.742SS**  trans53.5150.5142.3-77.5-37000130.3
372D30.1Very low36.5Very low130 Ų130125.2 Ų125.270%0.69574%0.742SS**  trans77.5120.7142.8-85.6-23.8000127
373T30.9Very low36.8Very low119 Ų119129.5 Ų129.573%0.7374%0.744SS**  trans66.1159.1140.266.40000120.6
374D28.1Very low37.2Very low136 Ų136132.1 Ų132.173%0.72775%0.745SS**  cis-156.4169.2-9.4-138.5-53.3000112.7
375S30.8Very low37.2Very low96 Ų96130.6 Ų130.667%0.67174%0.738SS**  trans44.5112.5145.4-66.10000124.3
376D30.2Very low36.7Very low154 Ų154131 Ų13182%0.82474%0.744SS**  26.8166.699.9-9611.4000122.1
377P53.5Low37Very low95 Ų95132.6 Ų132.662%0.61775%0.751SS**  cis-146.4-161-23.138.2-15.5000115.7
378I31.3Very low38.4Very low149 Ų149129.4 Ų129.476%0.76475%0.747SS**  trans74.9119158-65.7165.9000117.1
379S36.3Very low38.3Very low104 Ų104129.6 Ų129.673%0.72774%0.743SS**  70.2157.367.6-140.50000114.7
380P53.7Low37.1Very low108 Ų108131 Ų13170%0.70174%0.743SS**  cis-143.31707.744.2-24.5000119.7
381V34Very low36.2Very low111 Ų111130.8 Ų130.867%0.67374%0.744SS**  trans24.5131.6138.4-173.70000122.6
382F33.5Very low37.1Very low189 Ų189129.4 Ų129.483%0.82974%0.743SS**  -179-164121.3-101.6-65.4000115.5
383R35.8Very low37.2Very low214 Ų214132.7 Ų132.781%0.80875%0.746SS**  trans-128-175.8-160.9-53.9172.1-178161.8-1.4112.1
384T35.8Very low37.3Very low134 Ų134132.7 Ų132.782%0.82275%0.751SS**  cis-165.8148.314.7-25.90000113.4
385G31.6Very low37.4Very low64 Ų64133.4 Ų133.466%0.6675%0.749SS**  trans91.8160.2133.800000123.9
386S34.7Very low37.4Very low131 Ų131137.3 Ų137.392%0.91676%0.757SS**  trans88.8146.7158.467.40000123.3
387E36.3Very low37.5Very low183 Ų183136 Ų13686%0.85576%0.755SS**  trans-109-150.4177.9-43.5-178.1125.400110.7
388P58.4Low36.5Very low94 Ų94141.9 Ų141.961%0.6177%0.765SS**  cis-138.5-173.1-20.925.7-0.1000116
389L34.7Very low36.9Very low142 Ų142140.4 Ų140.474%0.74377%0.765SS**  142.7124.5125.2-70.8179.2000119.2
390L35.3Very low36.7Very low143 Ų143140.5 Ų140.575%0.74977%0.765SS**  trans59.2120.4137-58.2177.6000122.1
391S33.7Very low35.7Very low101 Ų101143.7 Ų143.771%0.70677%0.77SS**  84.4163.668.8-69.50000115.5
392P51.2Low36.2Very low120 Ų120144.3 Ų144.378%0.77978%0.777SS**  cis-112.4-179.2-5.442.4-31000113
393R32.1Very low36Very low200 Ų200138.9 Ų138.976%0.75577%0.774SS**  cis98.1112.24.8-164.7-169.7173.8-170.3-1.1118.7
394S32.1Very low35.7Very low119 Ų119132.9 Ų132.983%0.83278%0.779SS**  trans-150.3159.9160.664.90000113.2
395H30.9Very low35.4Very low150 Ų150130.1 Ų130.169%0.69478%0.777SS**  trans-134.3165.6-170.1-66.6-91.1000112.7
396H31.1Very low35.4Very low178 Ų178131.3 Ų131.382%0.82478%0.781SS**  158.7-177.4122.2-84-62.8000115.8
397T31.4Very low35.4Very low128 Ų128130.7 Ų130.779%0.78577%0.772SS**  trans-139.4144.6-150.7-2.80000114.7
398R32.7Very low35.2Very low218 Ų218131.3 Ų131.382%0.82377%0.772SS**  trans25.3127152-144-168.3-175.7-1751.7120.8
399P40.2Very low34.2Very low118 Ų118137.7 Ų137.777%0.76678%0.784SS**  -130.6-168.9103.440.4-31.5000110.8
400S30.8Very low34Very low106 Ų106134.3 Ų134.374%0.74178%0.783SS**  cis-159.9-179.5-11.726.90000110.3
401H32.8Very low34.2Very low174 Ų174132.8 Ų132.881%0.80678%0.784SS**  trans-105.8175.3161.4-86.6-52.8000109.7
402P45.1Very low34.6Very low124 Ų124136 Ų13681%0.80579%0.793SS**  cis-146.1177.422.544.5-25.2000119.3
403G28.8Very low33.9Very low75 Ų75134 Ų13477%0.77380%0.795SS**  trans93.9119.7131.400000121.2
404G29.3Very low34.6Very low88 Ų88132.5 Ų132.591%0.90780%0.797SS**  trans77.2163164.600000116.2
405G30.6Very low34.9Very low77 Ų77133.4 Ų133.479%0.79479%0.791SS**  cis172.8124.9-9.700000112.7
406A30.5Very low35.4Very low89 Ų89134.7 Ų134.774%0.73680%0.797SS**  trans36.6121.8162.300000122.8
407T34.6Very low35.8Very low117 Ų117132.4 Ų132.472%0.71880%0.799SS**  trans54.7124.7137.258.90000122.8
408F32.8Very low36.1Very low196 Ų196137.9 Ų137.986%0.8681%0.805SS**  -173.2119.6121.8-84.5-58000107.7
409R37.5Very low36.5Very low229 Ų229131.7 Ų131.786%0.86480%0.8SS**  80.410479.1-171.9-160.5-97.8-86.96.2115.2
410G31.2Very low37Very low71 Ų71131.7 Ų131.773%0.73280%0.8SS**  trans85.6161150.800000117.5
411S39.6Very low37.6Very low110 Ų110132.6 Ų132.677%0.76980%0.804SS**  cis-171141.5-15.943.30000110.5
412D42.1Very low37.7Very low168 Ų168133.5 Ų133.590%0.89881%0.805SS**  trans51.1140.8166.8-75.1-58000121.6
413G35.3Very low37.4Very low79 Ų79133.6 Ų133.681%0.81481%0.806SS**  trans172.988.3-179.400000110.2
414Q47.9Very low37.7Very low169 Ų169137.8 Ų137.879%0.7981%0.81SS**  trans-88.9167.3-160.4-151.2-177.856.700113.7
415L37Very low37.9Very low137 Ų137145.3 Ų145.372%0.71781%0.811SS**  trans71.893.3164.3-51.6176.5000117.8
416H42.6Very low38Very low177 Ų177147.6 Ų147.682%0.81981%0.809SS**  175.9141.1126.4-87.8-57.5000109.1R418H416-R418 PolarHBondContact O-N 3.37Å; H416-R418 VanDerWaalsContact O-N 3.12Å
417P39Very low37.9Very low131 Ų131148.7 Ų148.785%0.85181%0.811SS**  trans-70.2108.8175.828.7-33000110.3
418R37.6Very low37.8Very low243 Ų243148.2 Ų148.292%0.91781%0.808SS**PPolyproline II helixtrans-73.8140.6173.8-73.8-176172.3178.7-1.5110.4H416H416-R418 PolarHBondContact O-N 3.37Å; H416-R418 VanDerWaalsContact O-N 3.12Å
419A41Very low37.5Very low87 Ų87145.1 Ų145.172%0.71981%0.805SS**PPolyproline II helixtrans-61.5156.7178.300000112.5
420P51.8Low37.5Very low119 Ų119142.4 Ų142.477%0.77380%0.8SS**PPolyproline II helixtrans-54.8140.5-179.7-26.735.2000113.1
421P42.2Very low37.3Very low125 Ų125144.3 Ų144.381%0.81280%0.802SS**PPolyproline II helixtrans-65.5138.3176.827.9-34000110.8
422K35.1Very low36.8Very low192 Ų192147.2 Ų147.284%0.83581%0.809SS**PPolyproline II helixtrans-62.9141.9176-67.8177.7178.3177.50110.3
423P37.9Very low36.4Very low126 Ų126143.6 Ų143.682%0.81880%0.802SS**PPolyproline II helixtrans-61.8145.817925.9-34.5000111.8
424L35.2Very low36.2Very low164 Ų164145.4 Ų145.486%0.85980%0.802SS**PPolyproline II helixtrans-70.5129.1-179.4-67.7169.6000110.7V426L424-V426 PolarHBondContact O-N 3.03Å
425R34.7Very low35.5Very low246 Ų246142.8 Ų142.893%0.92880%0.8SS**  trans-68.3109168.7-82.4-178.9168.3166.4-5.3109.9
426V33.2Very low35.3Very low124 Ų124143.9 Ų143.975%0.75281%0.806SS**  trans-83.5129.8162.1-179.70000108.2L424L424-V426 PolarHBondContact O-N 3.03Å
427S26.6Very low34.9Very low112 Ų112141.1 Ų141.178%0.78380%0.803SS**  trans-90.3102.6175.8-62.50000110.2V429S427-V429 PolarHBondContact O-N 2.9Å
428T32.7Very low34.7Very low107 Ų107140.1 Ų140.166%0.65680%0.8SS**  trans-81.495.1172.128.60000111F430T428-F430 HydrophobicContact CG2-CD2 4.46Å; T428-F430 HydrophobicContact CG2-CE2 3.7Å; T428-F430 HydrophobicContact CG2-CZ 4.21Å
429V28Very low34.7Very low131 Ų131135.6 Ų135.679%0.79480%0.799SS**  trans-101.798.5161.71800000107.6S427S427-V429 PolarHBondContact O-N 2.9Å
430F36.1Very low34.3Very low173 Ų173138 Ų13876%0.75980%0.8SS**  trans-82.6130.7168.5-71-80.3000109.4T428T428-F430 HydrophobicContact CG2-CD2 4.46Å; T428-F430 HydrophobicContact CG2-CE2 3.7Å; T428-F430 HydrophobicContact CG2-CZ 4.21Å
431S27.4Very low33.9Very low111 Ų111138.3 Ų138.378%0.77680%0.802SS**  trans-81.7129168.5-63.80000109.3A433S431-A433 PolarHBondContact O-N 3.22Å
432N30.5Very low34.1Very low171 Ų171140 Ų14091%0.91480%0.804SS**  trans-61.4109.8-176.3-69.6-11.5000112.3
433A32.3Very low34.2Very low91 Ų91139 Ų13975%0.75280%0.803SS**  trans-145.599.2165.500000108.6S431 P435S431-A433 PolarHBondContact O-N 3.22Å; A433-P435 WeakPolarHBondContact O-CD 3.32Å
434S31Very low34.4Very low117 Ų117137.8 Ų137.882%0.81879%0.789SS**PPolyproline II helixtrans-82.8124.4173.7167.50000109.3
435P34Very low34.9Very low115 Ų115135 Ų13575%0.74778%0.78SS**PPolyproline II helixtrans-69.5143161.3-1329.8000109.6A433A433-P435 WeakPolarHBondContact O-CD 3.32Å
436L32.8Very low35.5Very low160 Ų160127.1 Ų127.184%0.83876%0.763SS**PPolyproline II helixtrans-75.1147.7168.1-73.2158.2000109.7S438L436-S438 PolarHBondContact O-N 2.99Å
437P33.9Very low36Very low118 Ų118124 Ų12477%0.76675%0.747SS**PPolyproline II helixtrans-67.9131.1176.828.3-34000111.2
438S34.7Very low36.7Very low111 Ų111128.2 Ų128.278%0.77675%0.747SS**PPolyproline II helixtrans-70139.8168.340.80000110.7L436 D440L436-S438 PolarHBondContact O-N 2.99Å; S438-D440 PolarHBondContact O-N 3.04Å
439T36.9Very low37.1Very low147 Ų147133 Ų13390%0.90276%0.755SS**  trans-96.686.3178.3-47.80000109.9
440D34.3Very low37.8Very low139 Ų139129.1 Ų129.174%0.74373%0.733SS**  trans-143137.9170.8-129.7-27.8000109S438S438-D440 PolarHBondContact O-N 3.04Å
441P42.1Very low38.2Very low125 Ų125129.4 Ų129.481%0.81274%0.737SS**SBendtrans-91.1-1.4-164.4-9.229.1000116.4
442D46.2Very low38.8Very low161 Ų161131.2 Ų131.286%0.86174%0.738SS**  trans-121.322-153.6-123.63.8000114.8
443E38.7Very low39.2Very low171 Ų171128.4 Ų128.480%0.79972%0.721SS**  trans-93.6135.3172.2-79.6-148142.700113.7
444D41.7Very low39.4Very low100 Ų100131.3 Ų131.354%0.53572%0.722SS.*  trans-70.4128.7178.5167.419.6000112.3S446 S447D444-S446 VanDerWaalsContact CG-OG 3.23Å; D444-S446 PolarHBondContact O-N 3.37Å; D444-S446 PolarHBondContact OD1-N 3.31Å; D444-S446 VanDerWaalsContact OD2-CB 3.28Å; D444-S446 WeakPolarHBondContact OD2-CB 3.3Å; D444-S446 PolarHBondContact OD2-OG 3.41Å; D444-S447 PolarHBondContact O-N 3.21Å
445P44.7Very low39.8Very low104 Ų104134.5 Ų134.568%0.67572%0.717SS**G310 helixtrans-61.2-6177.725.8-35.6000115.4S447 Y448P445-S447 PolarHBondContact O-N 3.26Å; P445-Y448 WeakPolarHBondContact O-CD2 3.28Å
446S47.7Very low40.1Very low81 Ų81133 Ų13357%0.56671%0.705SS**G310 helixtrans-63.6-19.5171.378.80000114.6D444 Y448D444-S446 VanDerWaalsContact CG-OG 3.23Å; D444-S446 PolarHBondContact O-N 3.37Å; D444-S446 PolarHBondContact OD1-N 3.31Å; D444-S446 VanDerWaalsContact OD2-CB 3.28Å; D444-S446 WeakPolarHBondContact OD2-CB 3.3Å; D444-S446 PolarHBondContact OD2-OG 3.41Å; S446-Y448 VanDerWaalsContact C-N 3.25Å; S446-Y448 PolarHBondContact O-N 2.92Å; S446-Y448 VanDerWaalsContact O-N 3.15Å
447S42.9Very low40.3Very low60 Ų60130 Ų13042%0.4270%0.695SS.*G310 helixtrans-59.2-27.5-174-1670000115D444 P445 Y449 S450D444-S447 PolarHBondContact O-N 3.21Å; P445-S447 PolarHBondContact O-N 3.26Å; S447-Y449 PolarHBondContact O-N 3.35Å; S447-Y449 VanDerWaalsContact O-N 3.1Å; S447-S450 WeakPolarHBondContact O-CB 3.19Å; S447-S450 PolarHBondContact O-N 3.31Å; S447-S450 PolarHBondContact O-OG 2.96Å
448Y41.3Very low40.8Very low199 Ų199133.7 Ų133.778%0.7870%0.702SS**G310 helixtrans-64-15.7-174.7-74.2-82.1000115.4P445 S446 S450P445-Y448 WeakPolarHBondContact O-CD2 3.28Å; S446-Y448 VanDerWaalsContact C-N 3.25Å; S446-Y448 PolarHBondContact O-N 2.92Å; S446-Y448 VanDerWaalsContact O-N 3.15Å; Y448-S450 VanDerWaalsContact C-N 3.33Å
449Y42.2Very low41.2Very low207 Ų207132.3 Ų132.381%0.81269%0.692SS**G310 helixtrans-86.43.8176.9-100.4-86000114.8S447 E451S447-Y449 PolarHBondContact O-N 3.35Å; S447-Y449 VanDerWaalsContact O-N 3.1Å; Y449-E451 VanDerWaalsContact C-N 3.28Å; Y449-E451 PolarHBondContact O-N 2.7Å
450S41.6Very low41.9Very low50 Ų50134.9 Ų134.935%0.3569%0.694SS.*G310 helixtrans-74.4-7.2-174.560.10000115.8S447 Y448 L452 I453S447-S450 WeakPolarHBondContact O-CB 3.19Å; S447-S450 PolarHBondContact O-N 3.31Å; S447-S450 PolarHBondContact O-OG 2.96Å; Y448-S450 VanDerWaalsContact C-N 3.33Å; S450-L452 VanDerWaalsContact C-N 3.29Å; S450-L452 PolarHBondContact O-N 2.91Å; S450-I453 PolarHBondContact O-N 3.18Å
451E45.2Very low42.4Very low179 Ų179137.5 Ų137.584%0.83669%0.694SS**G310 helixtrans-68.2-18.9-177.3-60.9-162.2157.700114.9Y449 I453Y449-E451 VanDerWaalsContact C-N 3.28Å; Y449-E451 PolarHBondContact O-N 2.7Å; E451-I453 VanDerWaalsContact C-N 3.26Å; E451-I453 PolarHBondContact O-N 3.31Å
452L40Very low43Very low150 Ų150141.9 Ų141.979%0.78570%0.7SS**G310 helixtrans-78.8-5.8179-66.8176.4000113.9S450 I454S450-L452 VanDerWaalsContact C-N 3.29Å; S450-L452 PolarHBondContact O-N 2.91Å; L452-I454 PolarHBondContact O-N 2.83Å
453I39.1Very low43.7Very low111 Ų111135.8 Ų135.857%0.56968%0.676SS**SBendtrans-82.3111.5172.9-57.8177000108.7S450 E451 R455S450-I453 PolarHBondContact O-N 3.18Å; E451-I453 VanDerWaalsContact C-N 3.26Å; E451-I453 PolarHBondContact O-N 3.31Å; I453-R455 VanDerWaalsContact C-N 3.26Å; I453-R455 HydrophobicContact CG2-CG 4.15Å; I453-R455 PolarHBondContact O-N 3.16Å
454I36.2Very low44.5Very low152 Ų152134.1 Ų134.178%0.77967%0.667SS**  trans-68.183.8174.1-54.1177.3000109.5L452L452-I454 PolarHBondContact O-N 2.83Å
455R40.1Very low45.5Very low184 Ų184133.9 Ų133.969%0.69467%0.669SS**PPolyproline II helixtrans-69.1132.7173.9-64.5-175.4-177.6-169.71.5109.3I453I453-R455 VanDerWaalsContact C-N 3.26Å; I453-R455 HydrophobicContact CG2-CG 4.15Å; I453-R455 PolarHBondContact O-N 3.16Å
456V39.2Very low46Very low85 Ų85133 Ų13352%0.51566%0.659SS.*PPolyproline II helixtrans-57126.9174.5176.40000108.9Q458 W474V456-Q458 PolarHBondContact O-N 3.26Å; V456-Q458 VanDerWaalsContact O-N 3.1Å; V456-W474 HydrophobicContact CG2-CD2 4.35Å
457P37Very low46.8Very low96 Ų96136.2 Ų136.262%0.62366%0.659SS**PPolyproline II helixtrans-58.2117.7-176.8-27.535.3000112S459P457-S459 PolarHBondContact O-N 3.09Å
458Q45.7Very low47.4Very low196 Ų196137.4 Ų137.492%0.91666%0.66SS**  trans-73.572.1177.2-69.2-169.3-3.100111.1V456 Q460V456-Q458 PolarHBondContact O-N 3.26Å; V456-Q458 VanDerWaalsContact O-N 3.1Å; Q458-Q460 PolarHBondContact O-N 3.42Å
459S42.8Very low48.4Very low81 Ų81134.9 Ų134.957%0.56665%0.649SS**  trans-66.1118.9171.1680000109.5P457 R461P457-S459 PolarHBondContact O-N 3.09Å; S459-R461 PolarHBondContact O-N 3.45Å
460Q50.6Low49.2Very low201 Ų201127.3 Ų127.394%0.93963%0.63SS**  trans-6099.2172.7-70.8-173.8-6.100110.4Q458Q458-Q460 PolarHBondContact O-N 3.42Å
461R46.3Very low49.9Very low195 Ų195128.4 Ų128.474%0.73663%0.629SS**  trans-138.2126.4174.3-65.6-169.9176.7-154.7-2.2109.4S459 G463S459-R461 PolarHBondContact O-N 3.45Å; R461-G463 PolarHBondContact O-N 3.16Å
462K53.9Low50.5Low216 Ų216125.9 Ų125.994%0.93962%0.617SS**  trans-88.290.4-171-70-178.2176.1-1800111.1
463G61.7Low51.3Low34 Ų34125.4 Ų125.435%0.35161%0.609SS.*  trans175131169.600000114.2R461 V465 D466 R467R461-G463 PolarHBondContact O-N 3.16Å; G463-V465 VanDerWaalsContact C-N 3.29Å; G463-V465 PolarHBondContact O-N 3.12Å; G463-D466 PolarHBondContact O-N 2.81Å; G463-R467 PolarHBondContact O-N 3.21Å; G463-R467 VanDerWaalsContact O-N 3.13Å
464H54Low51.9Low135 Ų135125.5 Ų125.563%0.62560%0.602SS**Hα-helixtrans-59.5-40.8174.1178.264000111.8D466 R467 L468H464-D466 PolarHBondContact O-N 3.21Å; H464-R467 WeakPolarHBondContact O-CB 3.49Å; H464-R467 PolarHBondContact O-N 3.44Å; H464-L468 PolarHBondContact O-N 3.46Å; H464-L468 VanDerWaalsContact O-N 3.14Å
465V64Low52.6Low95 Ų95123.8 Ų123.858%0.57659%0.591SS**Hα-helixtrans-65.8-35.8177.9-176.90000112.4G463 R469G463-V465 VanDerWaalsContact C-N 3.29Å; G463-V465 PolarHBondContact O-N 3.12Å; V465-R469 WeakPolarHBondContact O-CB 3.29Å; V465-R469 PolarHBondContact O-N 3.36Å
466D54.6Low53Low87 Ų87118.2 Ų118.247%0.46558%0.58SS.*Hα-helixtrans-72.4-32.2176.4-80.3-26.2000112.1G463 H464 A470G463-D466 PolarHBondContact O-N 2.81Å; H464-D466 PolarHBondContact O-N 3.21Å; D466-A470 WeakPolarHBondContact O-CB 3.33Å; D466-A470 PolarHBondContact O-N 2.86Å
467R63.7Low53.4Low147 Ų147123.5 Ų123.556%0.55559%0.591SS**Hα-helixtrans-62.8-51.8172.6-154.4-164.184.1175.816.2110.8G463 H464 R469 A470 E471G463-R467 PolarHBondContact O-N 3.21Å; G463-R467 VanDerWaalsContact O-N 3.13Å; H464-R467 WeakPolarHBondContact O-CB 3.49Å; H464-R467 PolarHBondContact O-N 3.44Å; R467-R469 VanDerWaalsContact C-N 3.32Å; R467-R469 PolarHBondContact O-N 2.89Å; R467-A470 WeakPolarHBondContact O-CA 3.43Å; R467-A470 WeakPolarHBondContact O-CB 3.45Å; R467-A470 PolarHBondContact O-N 2.84Å; R467-E471 VanDerWaalsContact C-OE2 3.27Å; R467-E471 WeakPolarHBondContact CG-OE2 3.35Å; R467-E471 IonicContact CZ-OE1 3.67Å; R467-E471 IonicContact CZ-OE2 3.64Å; R467-E471 IonicContact NE-OE1 2.9Å; R467-E471 PolarHBondContact NE-OE1 3.02Å; R467-E471 IonicContact NE-OE2 2.7Å; R467-E471 PolarHBondContact NE-OE2 2.86Å; R467-E471 IonicContact NH2-OE1 2.64Å; R467-E471 PolarHBondContact NH2-OE1 3Å; R467-E471 IonicContact NH2-OE2 3.14Å; R467-E471 PolarHBondContact NH2-OE2 3.32Å; R467-E471 PolarHBondContact O-N 2.96Å
468L57.1Low54Low85 Ų85122.1 Ų122.145%0.44559%0.587SS.*Hα-helixtrans-59-42.2177.9-68.5171.4000111.9H464 A470 E471 E472H464-L468 PolarHBondContact O-N 3.46Å; H464-L468 VanDerWaalsContact O-N 3.14Å; L468-A470 VanDerWaalsContact C-N 3.27Å; L468-A470 PolarHBondContact O-N 2.86Å; L468-E471 PolarHBondContact N-OE2 2.64Å; L468-E471 PolarHBondContact O-N 2.84Å; L468-E472 VanDerWaalsContact O-CB 3.3Å; L468-E472 WeakPolarHBondContact O-CB 3.16Å; L468-E472 PolarHBondContact O-N 3.36Å
469R62.4Low54.1Low146 Ų146122.4 Ų122.455%0.55158%0.58SS**Hα-helixtrans-67.2-24.7176.3-166.8-177.8-62.7-117.9-1113.3V465 R467 K473V465-R469 WeakPolarHBondContact O-CB 3.29Å; V465-R469 PolarHBondContact O-N 3.36Å; R467-R469 VanDerWaalsContact C-N 3.32Å; R467-R469 PolarHBondContact O-N 2.89Å; R469-K473 WeakPolarHBondContact O-CB 3.5Å; R469-K473 WeakPolarHBondContact O-CG 3.45Å; R469-K473 PolarHBondContact O-N 3.43Å
470A57.3Low54Low49 Ų49125.5 Ų125.541%0.40559%0.589SS.*Hα-helixtrans-80.5-42.7172.500000111.7D466 R467 L468 K473 W474D466-A470 WeakPolarHBondContact O-CB 3.33Å; D466-A470 PolarHBondContact O-N 2.86Å; R467-A470 WeakPolarHBondContact O-CA 3.43Å; R467-A470 WeakPolarHBondContact O-CB 3.45Å; R467-A470 PolarHBondContact O-N 2.84Å; L468-A470 VanDerWaalsContact C-N 3.27Å; L468-A470 PolarHBondContact O-N 2.86Å; A470-K473 PolarHBondContact O-N 2.95Å; A470-W474 PolarHBondContact O-N 3.18Å
471E57.3Low53.5Low73 Ų73120.1 Ų120.134%0.34157%0.57SS.*Hα-helixtrans-58.4-49173.6-73.6164.1116.400110.6R467 L468 K473 W474 Q475R467-E471 VanDerWaalsContact C-OE2 3.27Å; R467-E471 WeakPolarHBondContact CG-OE2 3.35Å; R467-E471 IonicContact CZ-OE1 3.67Å; R467-E471 IonicContact CZ-OE2 3.64Å; R467-E471 IonicContact NE-OE1 2.9Å; R467-E471 PolarHBondContact NE-OE1 3.02Å; R467-E471 IonicContact NE-OE2 2.7Å; R467-E471 PolarHBondContact NE-OE2 2.86Å; R467-E471 IonicContact NH2-OE1 2.64Å; R467-E471 PolarHBondContact NH2-OE1 3Å; R467-E471 IonicContact NH2-OE2 3.14Å; R467-E471 PolarHBondContact NH2-OE2 3.32Å; R467-E471 PolarHBondContact O-N 2.96Å; L468-E471 PolarHBondContact N-OE2 2.64Å; L468-E471 PolarHBondContact O-N 2.84Å; E471-K473 PolarHBondContact O-N 3.24Å; E471-W474 PolarHBondContact O-N 3.34Å; E471-W474 VanDerWaalsContact O-N 3.14Å; E471-Q475 WeakPolarHBondContact O-CG 3.35Å; E471-Q475 PolarHBondContact O-N 3.4Å
472E58.2Low53.1Low125 Ų125120.7 Ų120.758%0.58458%0.581SS**Hα-helixtrans-58.7-43.2176.3-177.4-177-137.500112.7L468 S476L468-E472 VanDerWaalsContact O-CB 3.3Å; L468-E472 WeakPolarHBondContact O-CB 3.16Å; L468-E472 PolarHBondContact O-N 3.36Å; E472-S476 VanDerWaalsContact O-CB 3.29Å; E472-S476 WeakPolarHBondContact O-CB 3.22Å; E472-S476 PolarHBondContact O-N 2.9Å; E472-S476 PolarHBondContact O-OG 3.01Å
473K56.9Low52.4Low141 Ų141115.6 Ų115.661%0.61357%0.568SS**Hα-helixtrans-69.7-30.3176.1-81.3-174.2173.8-174.10113.4R469 A470 E471 R477R469-K473 WeakPolarHBondContact O-CB 3.5Å; R469-K473 WeakPolarHBondContact O-CG 3.45Å; R469-K473 PolarHBondContact O-N 3.43Å; A470-K473 PolarHBondContact O-N 2.95Å; E471-K473 PolarHBondContact O-N 3.24Å; K473-R477 PolarHBondContact O-N 2.87Å
474W51.8Low51Low113 Ų113119.4 Ų119.443%0.42859%0.589SS.*Hα-helixtrans-72.2-47.3173.6-97.695.2000111.5V456 A470 E471 S476 R477 A478V456-W474 HydrophobicContact CG2-CD2 4.35Å; A470-W474 PolarHBondContact O-N 3.18Å; E471-W474 PolarHBondContact O-N 3.34Å; E471-W474 VanDerWaalsContact O-N 3.14Å; W474-S476 VanDerWaalsContact C-N 3.27Å; W474-S476 PolarHBondContact O-N 2.62Å; W474-R477 PolarHBondContact O-N 2.83Å; W474-A478 PolarHBondContact O-N 3.07Å
475Q50.9Low50.4Low116 Ų116123.1 Ų123.154%0.54260%0.604SS.*Hα-helixtrans-59.9-39.1174.5-70.1179.9-4.900111.6E471 R477 A478 R479E471-Q475 WeakPolarHBondContact O-CG 3.35Å; E471-Q475 PolarHBondContact O-N 3.4Å; Q475-R477 VanDerWaalsContact C-N 3.31Å; Q475-R477 PolarHBondContact O-N 3.13Å; Q475-A478 PolarHBondContact O-N 3.31Å; Q475-R479 WeakPolarHBondContact O-CG 3.27Å; Q475-R479 PolarHBondContact O-N 3.08Å
476S46.8Very low49.1Very low66 Ų66121.6 Ų121.646%0.46261%0.608SS.*Hα-helixtrans-63.6-33.7174.7-61.60000113.2E472 W474E472-S476 VanDerWaalsContact O-CB 3.29Å; E472-S476 WeakPolarHBondContact O-CB 3.22Å; E472-S476 PolarHBondContact O-N 2.9Å; E472-S476 PolarHBondContact O-OG 3.01Å; W474-S476 VanDerWaalsContact C-N 3.27Å; W474-S476 PolarHBondContact O-N 2.62Å
477R48.9Very low48.1Very low197 Ų197127 Ų12774%0.74363%0.627SS**Hα-helixtrans-75.8-39175-89.1-178.5152.4178.8-8.1113.1K473 W474 Q475 R479 L480K473-R477 PolarHBondContact O-N 2.87Å; W474-R477 PolarHBondContact O-N 2.83Å; Q475-R477 VanDerWaalsContact C-N 3.31Å; Q475-R477 PolarHBondContact O-N 3.13Å; R477-R479 PolarHBondContact O-N 3.46Å; R477-L480 PolarHBondContact O-N 2.87Å; R477-L480 VanDerWaalsContact O-N 3.13Å
478A48.6Very low46.8Very low66 Ų66128 Ų12855%0.54564%0.643SS.*Hα-helixtrans-62.3-31177.100000112.6W474 Q475 L480 T481W474-A478 PolarHBondContact O-N 3.07Å; Q475-A478 PolarHBondContact O-N 3.31Å; A478-L480 VanDerWaalsContact C-N 3.25Å; A478-L480 PolarHBondContact O-N 3.27Å; A478-T481 PolarHBondContact O-OG1 2.8Å
479R48.5Very low45.8Very low203 Ų203133.2 Ų133.277%0.76667%0.665SS**THydrogen-bonded Turntrans-77.2-1.8176.1-66.5175.9-170.3176.75.7114.8Q475 R477Q475-R479 WeakPolarHBondContact O-CG 3.27Å; Q475-R479 PolarHBondContact O-N 3.08Å; R477-R479 PolarHBondContact O-N 3.46Å
480L40.2Very low44.4Very low146 Ų146130.8 Ų130.876%0.76468%0.676SS**THydrogen-bonded Turntrans-102.86.9-178.1-108.2149.3000113.5R477 A478R477-L480 PolarHBondContact O-N 2.87Å; R477-L480 VanDerWaalsContact O-N 3.13Å; A478-L480 VanDerWaalsContact C-N 3.25Å; A478-L480 PolarHBondContact O-N 3.27Å
481T40.9Very low43.2Very low87 Ų87137.4 Ų137.453%0.53470%0.699SS.*SBendtrans-117.8120.3168.9450000109A478 T483A478-T481 PolarHBondContact O-OG1 2.8Å; T481-T483 PolarHBondContact O-N 3.08Å
482E37.7Very low41.8Very low207 Ų207141.7 Ų141.797%0.96772%0.724SS**SBendtrans-73.124.4-170.4-60.8-176.712700115.1
483T38.5Very low40.6Very low109 Ų109143.4 Ų143.467%0.66974%0.737SS**  trans-107.570.6178.554.70000110.6T481 F485T481-T483 PolarHBondContact O-N 3.08Å; T483-F485 PolarHBondContact O-N 2.96Å; T483-F485 VanDerWaalsContact O-N 3.08Å
484S33.7Very low39.1Very low114 Ų114140 Ų14080%0.79774%0.742SS**  trans-79.282.2-173.31770000113.7G486S484-G486 VanDerWaalsContact C-N 3.29Å; S484-G486 PolarHBondContact O-N 3.06Å; S484-G486 VanDerWaalsContact O-N 3.11Å
485F39.3Very low38.5Very low214 Ų214140.6 Ų140.694%0.93976%0.76SS**  trans-79.578.7160.4-78.7-80000110.3T483T483-F485 PolarHBondContact O-N 2.96Å; T483-F485 VanDerWaalsContact O-N 3.08Å
486G37.8Very low37.4Very low63 Ų63141 Ų14165%0.64978%0.776SS**  trans-119.465.2-173.900000113.6S484S484-G486 VanDerWaalsContact C-N 3.29Å; S484-G486 PolarHBondContact O-N 3.06Å; S484-G486 VanDerWaalsContact O-N 3.11Å
487F33.4Very low36.5Very low199 Ų199143.2 Ų143.287%0.87379%0.791SS**  trans-149.971173.8-156.1-89.9000113.1
488L35.9Very low35.5Very low170 Ų170142.6 Ų142.689%0.8980%0.797SS**  trans-173.168.7155.9-108.8164.4000111.3
489E36.1Very low34.7Very low194 Ų194147 Ų14791%0.90781%0.811SS**  trans-13576164-160.6167.3-131.500108.2Q491E489-Q491 PolarHBondContact O-N 3.32Å
490A34.4Very low33.7Very low94 Ų94144.2 Ų144.278%0.77781%0.81SS**PPolyproline II helixtrans-68129.5-175.100000111.1
491Q31.4Very low33.5Very low189 Ų189145.6 Ų145.688%0.88381%0.81SS**PPolyproline II helixtrans-69.8143.3179.9-70.3-175.1-6.900111.7E489E489-Q491 PolarHBondContact O-N 3.32Å
492N28.1Very low33.2Very low163 Ų163150.6 Ų150.687%0.87283%0.828SS**PPolyproline II helixtrans-77.3147.2-175.6-151.6-10.5000111.5
493N33.1Very low32.8Very low161 Ų161149 Ų14986%0.86182%0.817SS**PPolyproline II helixtrans-69.9146.5-165.8-80.5-48.1000114.9
494G25.6Very low32.7Very low70 Ų70151 Ų15172%0.72282%0.82SS**  trans-144.8122.5164.400000110.6
495P39Very low32.9Very low124 Ų124153.4 Ų153.481%0.80582%0.821SS**  trans-88.6143.7-171.433.9-34.9000113.4
496S27.4Very low32.6Very low125 Ų125151.4 Ų151.487%0.87482%0.815SS**  trans-156.4145.7157.2-79.90000109.7
497S28.4Very low32.4Very low112 Ų112156.3 Ų156.378%0.78381%0.814SS**  trans-116.4172.2-165.9-56.20000112.9
498Q27.8Very low32.4Very low184 Ų184155.6 Ų155.686%0.8681%0.811SS**  trans98155.7164.5-54.7-176.6-11.600117.7
499L30.6Very low32.3Very low160 Ų160152.2 Ų152.284%0.83881%0.807SS**  trans75.667.7-177.2-53.1177.2000115.1
500L28.2Very low32.3Very low144 Ų144146.7 Ų146.775%0.75480%0.795SS**  71.510976.3-66.8174.7000116.5Q502L500-Q502 PolarHBondContact O-N 2.91Å
501F35.7Very low32.3Very low174 Ų174145.5 Ų145.576%0.76377%0.773SS**  60.949.2126.5-91.8-91000121
502Q34.1Very low32.6Very low193 Ų193145.3 Ų145.390%0.90277%0.772SS**SBendtrans-154.148.3154.8-131.7171.116.500117.9L500L500-Q502 PolarHBondContact O-N 2.91Å
503K31Very low33.3Very low172 Ų172146.4 Ų146.475%0.74877%0.772SS**  trans-148.220.6172.6-136172.4-175.5179.30117.6I505K503-I505 PolarHBondContact O-N 3.06Å
504E35.2Very low33.9Very low153 Ų153147.6 Ų147.672%0.71576%0.764SS**SBendtrans-91.13.8-162.1-145.5148.7-133.800115.7
505I38.3Very low34.7Very low163 Ų163150.3 Ų150.384%0.83676%0.762SS**SBendtrans-112.6-18.1-177.8-64.4177.9000113K503K503-I505 PolarHBondContact O-N 3.06Å
506Q32.4Very low34.9Very low173 Ų173156.6 Ų156.681%0.80877%0.77SS**SBendtrans-101.2-1.4174-72.8-178.4-19.200113.5K508Q506-K508 PolarHBondContact O-N 2.9Å
507R33.2Very low36.4Very low165 Ų165157.6 Ų157.662%0.62376%0.761SS**THydrogen-bonded Turntrans-10046.8-179.4-161-176132.2162.10.6112E511R507-E511 HydrophobicContact CG-CG 4.03Å; R507-E511 IonicContact CZ-OE1 3.84Å; R507-E511 IonicContact NE-OE1 2.72Å; R507-E511 PolarHBondContact NE-OE1 3.48Å; R507-E511 IonicContact NH2-OE1 2.84Å; R507-E511 PolarHBondContact NH2-OE1 3.34Å
508K33.5Very low38.5Very low185 Ų185160.8 Ų160.880%0.80476%0.761SS**THydrogen-bonded Turntrans-133.81.3177.2-104.7-171.3177.2-175.20115.7Q506Q506-K508 PolarHBondContact O-N 2.9Å
509A34.5Very low40.6Very low98 Ų98155.9 Ų155.981%0.8174%0.738SS**SBendtrans-121.616.7169.600000111.6
510A35.5Very low43.1Very low79 Ų79157.2 Ų157.265%0.65373%0.732SS**SBendtrans-143.931-176.700000111
511E35.8Very low46Very low68 Ų68152.1 Ų152.132%0.31871%0.707SS.*SBendtrans-123.612.6174.4-64.8-161.1130.400112.3R507 R514R507-E511 HydrophobicContact CG-CG 4.03Å; R507-E511 IonicContact CZ-OE1 3.84Å; R507-E511 IonicContact NE-OE1 2.72Å; R507-E511 PolarHBondContact NE-OE1 3.48Å; R507-E511 IonicContact NH2-OE1 2.84Å; R507-E511 PolarHBondContact NH2-OE1 3.34Å; E511-R514 WeakPolarHBondContact O-CG 3.46Å; E511-R514 PolarHBondContact O-NH1 2.84Å
512E37.5Very low48.6Very low186 Ų186148.4 Ų148.487%0.86969%0.692SS**SBendtrans-95.3-22.8174.4-65.1-172.2154.400112R514E512-R514 PolarHBondContact O-N 3.21Å
513E43.2Very low51.3Low186 Ų186144.5 Ų144.587%0.86968%0.676SS**SBendtrans-76.755.3158.4-68-165.9131.600111.1D515E513-D515 PolarHBondContact O-N 2.86Å
514R44.5Very low54.1Low185 Ų185138.6 Ų138.670%0.69865%0.651SS**  trans-79101164.9-82.8-162.3-49.5-79.57.5109.8E511 E512 W516E511-R514 WeakPolarHBondContact O-CG 3.46Å; E511-R514 PolarHBondContact O-NH1 2.84Å; E512-R514 PolarHBondContact O-N 3.21Å; R514-W516 PolarHBondContact O-N 2.93Å
515D43.4Very low56.7Low127 Ų127137.1 Ų137.168%0.67965%0.653SS**  48.174.7129.7-110.2-9.6000114.1E513 H517E513-D515 PolarHBondContact O-N 2.86Å; D515-H517 PolarHBondContact O-N 3.17Å; D515-H517 PolarHBondContact O-ND1 3.42Å; D515-H517 IonicContact OD2-CE1 2.62Å
516W42.1Very low59.2Low257 Ų257133.1 Ų133.197%0.97364%0.639SS**  trans-6573.1176.1-74.193.8000112.1R514 F518R514-W516 PolarHBondContact O-N 2.93Å; W516-F518 PolarHBondContact O-N 3.3Å
517H60Low62Low146 Ų146127 Ų12768%0.67662%0.615SS**  trans-69.1125.3168.7-69.575.9000108.7D515 E519D515-H517 PolarHBondContact O-N 3.17Å; D515-H517 PolarHBondContact O-ND1 3.42Å; D515-H517 IonicContact OD2-CE1 2.62Å; H517-E519 PolarHBondContact O-N 3.35Å
518F71.2Confident64.8Low179 Ų179121.4 Ų121.479%0.78560%0.601SS**  trans-68.2102.6170.9174.4-99.2000109.4W516 R520W516-F518 PolarHBondContact O-N 3.3Å; F518-R520 HydrophobicContact CE1-CB 4.41Å
519E73.6Confident67.7Low80 Ų80113.2 Ų113.237%0.37457%0.566SS.*PPolyproline II helixtrans-85127.9169.5-170.3165.8-167.800109.3H517 H522 R589H517-E519 PolarHBondContact O-N 3.35Å; E519-H522 IonicContact OE1-CE1 3.26Å; E519-R589 IonicContact OE1-CZ 2.64Å; E519-R589 IonicContact OE1-NH1 3.68Å; E519-R589 PolarHBondContact OE1-NH1 3.1Å; E519-R589 WeakPolarHBondContact OE2-CD 3.32Å; E519-R589 WeakPolarHBondContact OE2-CG 3.47Å; E519-R589 IonicContact OE2-CZ 3.53Å; E519-R589 IonicContact OE2-NE 3.42Å; E519-R589 IonicContact OE2-NH1 2.86Å; E519-R589 PolarHBondContact OE2-NH1 3.28Å
520R82.4Confident70.3Confident189 Ų189113.2 Ų113.271%0.71355%0.549SS*.PPolyproline II helixtrans-68.9130.7-179.5-176.6177.6174.3169.5-1.5109.3F518 H522F518-R520 HydrophobicContact CE1-CB 4.41Å; R520-H522 PolarHBondContact O-N 2.92Å; R520-H522 PolarHBondContact O-ND1 3.01Å
521P89.1Confident72.9Confident36 Ų36110.3 Ų110.323%0.23452%0.523CS..PPolyproline II helixtrans-55.3135.7172.6-26.636.2000111.2I590P521-I590 WeakPolarHBondContact CA-O 3.22Å
522H89.3Confident75.3Confident97 Ų97113.8 Ų113.845%0.44954%0.543SS..PPolyproline II helixtrans-81.5146.9-178.6-68.560.1000110E519 R520 I590E519-H522 IonicContact OE1-CE1 3.26Å; R520-H522 PolarHBondContact O-N 2.92Å; R520-H522 PolarHBondContact O-ND1 3.01Å; H522-I590 HydrophobicContact CB-CG2 4.01Å; H522-I590 PolarHBondContact N-O 3.21Å
523I90.7Very high77.7Confident110 Ų110111.8 Ų111.856%0.56453%0.534SS*.  trans-95.2115.6171-53.5-179.6000106.9H604I523-H604 HydrophobicContact CB-CB 4.46Å; I523-H604 HydrophobicContact CG1-CB 3.94Å; I523-H604 HydrophobicContact CG2-CB 4.42Å
524E91.2Very high79.9Confident48 Ų48103.7 Ų103.722%0.22450%0.496CS..  trans-75.9133.4173.8-67.8173.3-164.300109.5R579 Q607E524-R579 IonicContact OE1-CZ 3.72Å; E524-R579 IonicContact OE1-NH1 2.77Å; E524-R579 PolarHBondContact OE1-NH1 3.15Å; E524-R579 IonicContact OE1-NH2 3.93Å; E524-R579 PolarHBondContact OE1-NH2 3.17Å; E524-R579 IonicContact OE2-CZ 2.91Å; E524-R579 IonicContact OE2-NH1 3.47Å; E524-R579 PolarHBondContact OE2-NH1 2.82Å; E524-R579 IonicContact OE2-NH2 3.18Å; E524-R579 PolarHBondContact OE2-NH2 2.99Å; E524-Q607 HydrophobicContact CB-CB 3.85Å; E524-Q607 HydrophobicContact CB-CG 4.16Å
525T89.6Confident81.9Confident122 Ų122100 Ų10075%0.74849%0.494SS*.  trans-125.75.8-174.256.10000113.3
526S90.1Very high84.1Confident79 Ų7995.3 Ų95.355%0.55247%0.471SS*.SBendtrans-142.714117958.50000110.6Q607S526-Q607 VanDerWaalsContact C-OE1 3.3Å; S526-Q607 VanDerWaalsContact O-CG 3.28Å; S526-Q607 WeakPolarHBondContact O-CG 3.24Å
527S92.5Very high86.4Confident44 Ų4489 Ų8931%0.30845%0.454SS..  trans-57.2143.3-178.1-173.80000112.6F529 D611S527-F529 PolarHBondContact O-N 2.89Å; S527-F529 VanDerWaalsContact OG-CD2 3.3Å; S527-F529 WeakPolarHBondContact OG-CD2 3.38Å; S527-F529 PolarHBondContact OG-N 3.35Å; S527-D611 WeakPolarHBondContact CA-OD1 3.39Å; S527-D611 WeakPolarHBondContact CB-OD1 3.25Å; S527-D611 VanDerWaalsContact OG-CG 3.29Å; S527-D611 PolarHBondContact OG-OD1 3.46Å
528C91.6Very high87.8Confident48 Ų4884.2 Ų84.232%0.32443%0.433SS..SBendtrans-69.2-12.8172.665.50000113.5Q530 D611C528-Q530 PolarHBondContact O-N 3.13Å; C528-D611 PolarHBondContact N-OD2 2.78Å; C528-D611 PolarHBondContact SG-OD2 2.89Å
529F93.8Very high88.8Confident13 Ų1376 Ų766%0.05740%0.397CS..  trans-80.879179.2-53.3-42.4000112.3S527 L531 V577 D611 E614 R615 T785 E786 L789S527-F529 PolarHBondContact O-N 2.89Å; S527-F529 VanDerWaalsContact OG-CD2 3.3Å; S527-F529 WeakPolarHBondContact OG-CD2 3.38Å; S527-F529 PolarHBondContact OG-N 3.35Å; F529-L531 PolarHBondContact O-N 3Å; F529-V577 HydrophobicContact CE1-CG1 3.93Å; F529-V577 HydrophobicContact CE1-CG2 4.15Å; F529-V577 HydrophobicContact CZ-CG1 3.84Å; F529-D611 HydrophobicContact CE2-CB 3.69Å; F529-D611 VanDerWaalsContact CE2-O 3.26Å; F529-D611 WeakPolarHBondContact CE2-O 3.3Å; F529-D611 HydrophobicContact CZ-CB 3.86Å; F529-D611 WeakPolarHBondContact CZ-O 3.43Å; F529-E614 HydrophobicContact CE2-CB 4.44Å; F529-E614 HydrophobicContact CE2-CG 4.47Å; F529-R615 HydrophobicContact CZ-CB 4.21Å; F529-T785 HydrophobicContact CD1-CG2 4.15Å; F529-T785 HydrophobicContact CD2-CG2 3.82Å; F529-T785 VanDerWaalsContact CE1-CB 3.49Å; F529-T785 HydrophobicContact CE1-CG2 3.94Å; F529-T785 VanDerWaalsContact CE1-OG1 3.22Å; F529-T785 WeakPolarHBondContact CE1-OG1 3.44Å; F529-T785 HydrophobicContact CE2-CG2 3.58Å; F529-T785 HydrophobicContact CG-CG2 4.11Å; F529-T785 HydrophobicContact CZ-CG2 3.66Å; F529-T785 WeakPolarHBondContact CZ-OG1 3.19Å; F529-E786 HydrophobicContact CB-CG 4.06Å; F529-L789 HydrophobicContact CB-CD1 4.2Å; F529-L789 HydrophobicContact CD2-CD1 4.48Å
530Q90.3Very high89.6Confident99 Ų9975.2 Ų75.246%0.46340%0.399SS..  trans-80.979.2-172.6-65.6-179.4-1.900112.7C528 D532 Q533 F534C528-Q530 PolarHBondContact O-N 3.13Å; Q530-D532 VanDerWaalsContact C-N 3.26Å; Q530-D532 PolarHBondContact O-N 3.32Å; Q530-D532 VanDerWaalsContact O-N 3.14Å; Q530-Q533 HydrophobicContact CB-CB 4.36Å; Q530-Q533 PolarHBondContact O-N 2.77Å; Q530-F534 PolarHBondContact O-N 2.7Å; Q530-F534 VanDerWaalsContact O-N 3.12Å
531L89.4Confident89.7Confident18 Ų1871.3 Ų71.39%0.09439%0.392CS..THydrogen-bonded Turntrans-53.1-33.9-175-60.6-176000115.4F529 Q533 F534 E786 L789 R790 A798 T799F529-L531 PolarHBondContact O-N 3Å; L531-Q533 VanDerWaalsContact C-N 3.29Å; L531-Q533 PolarHBondContact O-N 3.45Å; L531-F534 PolarHBondContact O-N 3.18Å; L531-E786 HydrophobicContact CD2-CB 3.97Å; L531-E786 HydrophobicContact CD2-CG 4.31Å; L531-L789 HydrophobicContact CD2-CB 3.98Å; L531-L789 HydrophobicContact CD2-CD1 3.89Å; L531-R790 HydrophobicContact CD2-CG 4.21Å; L531-A798 HydrophobicContact CD1-CB 3.71Å; L531-T799 HydrophobicContact CD1-CG2 4.11Å
532D85Confident89.5Confident141 Ų14177.7 Ų77.775%0.75442%0.419SS*.THydrogen-bonded Turntrans-73.9-18.6178.7-64.3-43.1000113.6Q530Q530-D532 VanDerWaalsContact C-N 3.26Å; Q530-D532 PolarHBondContact O-N 3.32Å; Q530-D532 VanDerWaalsContact O-N 3.14Å
533Q87.8Confident89.6Confident144 Ų14473.3 Ų73.367%0.67340%0.399SS*.THydrogen-bonded Turntrans-104.1-8.5176.4-67.4178.464.800112.4Q530 L531 T535Q530-Q533 HydrophobicContact CB-CB 4.36Å; Q530-Q533 PolarHBondContact O-N 2.77Å; L531-Q533 VanDerWaalsContact C-N 3.29Å; L531-Q533 PolarHBondContact O-N 3.45Å; Q533-T535 PolarHBondContact O-N 2.74Å
534F90.4Very high89.7Confident16 Ų1676.5 Ų76.57%0.0740%0.404CS..  trans-75.4106.3179.6176.7-99.9000111.3Q530 L531 E781 R784 E786 F787Q530-F534 PolarHBondContact O-N 2.7Å; Q530-F534 VanDerWaalsContact O-N 3.12Å; L531-F534 PolarHBondContact O-N 3.18Å; F534-E781 HydrophobicContact CZ-CG 4.33Å; F534-R784 HydrophobicContact CE2-CB 4.43Å; F534-E786 HydrophobicContact CB-CB 3.91Å; F534-E786 HydrophobicContact CB-CG 4.28Å; F534-E786 HydrophobicContact CD1-CB 4Å; F534-E786 HydrophobicContact CD2-CB 3.45Å; F534-E786 VanDerWaalsContact CD2-CB 3.45Å; F534-E786 HydrophobicContact CD2-CG 4.06Å; F534-E786 HydrophobicContact CE1-CB 4.41Å; F534-E786 HydrophobicContact CE2-CB 3.95Å; F534-E786 HydrophobicContact CG-CB 3.48Å; F534-E786 VanDerWaalsContact CG-CB 3.48Å; F534-E786 HydrophobicContact CG-CG 4.25Å; F534-E786 HydrophobicContact CZ-CB 4.41Å; F534-F787 HydrophobicContact CE1-CB 4.25Å; F534-F787 HydrophobicContact CZ-CB 3.72Å; F534-F787 HydrophobicContact CZ-CD2 4.23Å; F534-F787 HydrophobicContact CZ-CG 4.5Å
535T86.6Confident89.8Confident106 Ų10677.9 Ų77.965%0.6542%0.417SS*.  trans-95.9151.1166.455.40000110.6Q533Q533-T535 PolarHBondContact O-N 2.74Å
536S89.9Confident89.9Confident30 Ų3074.3 Ų74.321%0.2139%0.393CS..  trans-142.7143.3-169.8171.30000110.9L538 L539 E781S536-L538 PolarHBondContact OG-N 2.73Å; S536-L539 WeakPolarHBondContact OG-CB 3.44Å; S536-L539 PolarHBondContact OG-N 3.4Å; S536-E781 WeakPolarHBondContact CB-OE1 3.4Å; S536-E781 PolarHBondContact OG-OE1 2.88Å
537M89.8Confident90Very high125 Ų12572.4 Ų72.462%0.61638%0.375SS*.SBendtrans-83.3-28.8173.2-59.2180-65.300112.1P777 E781M537-P777 HydrophobicContact CE-CB 3.8Å; M537-E781 WeakPolarHBondContact CE-OE2 3.43Å; M537-E781 VanDerWaalsContact N-CD 3.27Å; M537-E781 PolarHBondContact N-OE1 2.86Å; M537-E781 PolarHBondContact N-OE2 2.77Å
538L90.7Very high89.9Confident44 Ų4474 Ų7423%0.2339%0.386CS..SBendtrans-99.5-23.2-175.1-60.3176.3000113.9S536 V550 L557 E778 E781 T782 F787S536-L538 PolarHBondContact OG-N 2.73Å; L538-V550 WeakPolarHBondContact O-CG2 3.45Å; L538-L557 HydrophobicContact CD1-CD1 4.06Å; L538-E778 HydrophobicContact CD1-CB 4.28Å; L538-E778 HydrophobicContact CD2-CG 4.44Å; L538-E781 WeakPolarHBondContact CB-OE1 3.3Å; L538-E781 PolarHBondContact N-OE1 2.75Å; L538-T782 HydrophobicContact CD1-CG2 3.62Å; L538-F787 HydrophobicContact CB-CE2 3.88Å; L538-F787 HydrophobicContact CB-CZ 4.3Å; L538-F787 HydrophobicContact CD1-CE2 4.47Å; L538-F787 HydrophobicContact CD1-CZ 4.43Å
539L91.3Very high89.9Confident7 Ų777.5 Ų77.54%0.03740%0.402CS..SBendtrans-117125.8-172.6-163.873.4000111.4S536 N543 V550 F787 R790 L791S536-L539 WeakPolarHBondContact OG-CB 3.44Å; S536-L539 PolarHBondContact OG-N 3.4Å; L539-N543 HydrophobicContact CD1-CB 3.73Å; L539-N543 HydrophobicContact CD2-CB 4.42Å; L539-N543 HydrophobicContact CG-CB 3.76Å; L539-V550 HydrophobicContact CD1-CG1 4.08Å; L539-V550 HydrophobicContact CD1-CG2 4.17Å; L539-F787 HydrophobicContact CB-CD2 4.2Å; L539-F787 HydrophobicContact CB-CE2 3.89Å; L539-F787 HydrophobicContact CD2-CD2 4.5Å; L539-R790 HydrophobicContact CD2-CB 3.42Å; L539-R790 VanDerWaalsContact CD2-CB 3.42Å; L539-L791 HydrophobicContact CD1-CD1 4.33Å
540P89.4Confident89.9Confident64 Ų6477.2 Ų77.242%0.41640%0.401SS..  trans-65.4150.3176.3-23.434000114.3H542 N543 R790P540-H542 PolarHBondContact O-N 2.77Å; P540-N543 HydrophobicContact CB-CB 4.46Å; P540-N543 VanDerWaalsContact O-CB 3.32Å; P540-N543 WeakPolarHBondContact O-CB 3.45Å; P540-N543 PolarHBondContact O-N 3.43Å; P540-N543 PolarHBondContact O-OD1 2.79Å; P540-R790 PolarHBondContact O-NH2 3.3Å
541D84.4Confident90.1Very high106 Ų10674.8 Ų74.857%0.56739%0.391SS*.THydrogen-bonded Turntrans-57.4-23.4178.2-62.1-50.6000114.2R790D541-R790 VanDerWaalsContact C-NH2 3.25Å; D541-R790 PolarHBondContact O-NH2 3.29Å
542H85.9Confident90.2Very high170 Ų17079 Ų7979%0.78741%0.413SS*.THydrogen-bonded Turntrans-123.341.3176.7-64.1-12.5000111.8P540P540-H542 PolarHBondContact O-N 2.77Å
543N91.1Very high90.7Very high6 Ų674.2 Ų74.23%0.03239%0.393CS..PPolyproline II helixtrans-60.4152178.877.1-79.3000113.5L539 P540 E547 R790 Q795L539-N543 HydrophobicContact CD1-CB 3.73Å; L539-N543 HydrophobicContact CD2-CB 4.42Å; L539-N543 HydrophobicContact CG-CB 3.76Å; P540-N543 HydrophobicContact CB-CB 4.46Å; P540-N543 VanDerWaalsContact O-CB 3.32Å; P540-N543 WeakPolarHBondContact O-CB 3.45Å; P540-N543 PolarHBondContact O-N 3.43Å; P540-N543 PolarHBondContact O-OD1 2.79Å; N543-E547 WeakPolarHBondContact CA-OE2 3.37Å; N543-R790 PolarHBondContact ND2-O 3.07Å; N543-R790 PolarHBondContact OD1-NE 3.09Å; N543-R790 PolarHBondContact OD1-NH2 3.24Å; N543-Q795 PolarHBondContact O-N 3.31Å
544R92.6Very high91Very high177 Ų17768 Ų6867%0.66837%0.365SS*.PPolyproline II helixtrans-91.1161.3172.1-78.1-178.9-70-175.5-2.6111.9L546 E547R544-L546 PolarHBondContact O-N 3.5Å; R544-E547 PolarHBondContact N-OE2 3.14Å
545P93Very high91.1Very high77 Ų7769.8 Ų69.850%0.537%0.372SS..THydrogen-bonded Turntrans-59.2135.3169.9-13.724.8000110.5E547 F792P545-E547 VanDerWaalsContact C-N 3.33Å; P545-E547 PolarHBondContact O-N 2.92Å; P545-F792 WeakPolarHBondContact CB-O 3.34Å
546L92.1Very high91.5Very high46 Ų4669.5 Ų69.524%0.24136%0.364CS..THydrogen-bonded Turntrans5147.7176.1-60.9176.7000113.3R544 S548 L551 V625 L791 F792 F809 I812R544-L546 PolarHBondContact O-N 3.5Å; L546-S548 PolarHBondContact O-N 3.1Å; L546-S548 VanDerWaalsContact O-N 3.12Å; L546-L551 HydrophobicContact CB-CD1 4.02Å; L546-L551 HydrophobicContact CD2-CD1 4.36Å; L546-L551 WeakPolarHBondContact O-CD1 3.19Å; L546-V625 HydrophobicContact CD2-CG1 4.28Å; L546-L791 PolarHBondContact N-O 2.82Å; L546-F792 HydrophobicContact CD2-CD1 4.01Å; L546-F809 HydrophobicContact CD1-CE2 4.09Å; L546-F809 HydrophobicContact CD1-CZ 4.38Å; L546-F809 HydrophobicContact CD2-CE2 4.13Å; L546-F809 HydrophobicContact CD2-CZ 4.07Å; L546-F809 HydrophobicContact CG-CE2 4.32Å; L546-I812 HydrophobicContact CD1-CG2 4.27Å
547E91.5Very high91.7Very high40 Ų4069.8 Ų69.819%0.18736%0.363CS..  trans-65.4111.8-175.4-171.8152.317400112.3N543 R544 P545 N549 V550 L551N543-E547 WeakPolarHBondContact CA-OE2 3.37Å; R544-E547 PolarHBondContact N-OE2 3.14Å; P545-E547 VanDerWaalsContact C-N 3.33Å; P545-E547 PolarHBondContact O-N 2.92Å; E547-N549 VanDerWaalsContact C-N 3.27Å; E547-N549 PolarHBondContact O-N 2.89Å; E547-N549 VanDerWaalsContact O-N 3.1Å; E547-V550 HydrophobicContact CB-CG2 4.31Å; E547-V550 HydrophobicContact CG-CG2 4.32Å; E547-V550 PolarHBondContact O-N 2.74Å; E547-L551 PolarHBondContact O-N 3.02Å
548S91.5Very high91.9Very high76 Ų7665.8 Ų65.853%0.53134%0.342SS..Hα-helixtrans-55.4-34.7-167.5-171.90000114.9L546 L552L546-S548 PolarHBondContact O-N 3.1Å; L546-S548 VanDerWaalsContact O-N 3.12Å; S548-L552 WeakPolarHBondContact O-CB 3.02Å; S548-L552 VanDerWaalsContact O-CG 3.25Å; S548-L552 WeakPolarHBondContact O-CG 3.49Å; S548-L552 PolarHBondContact O-N 2.85Å
549N92.1Very high91.9Very high122 Ų12267.5 Ų67.565%0.65236%0.357SS*.Hα-helixtrans-68.5-39.7-179.7-66.1-6000111E547 L552 A553E547-N549 VanDerWaalsContact C-N 3.27Å; E547-N549 PolarHBondContact O-N 2.89Å; E547-N549 VanDerWaalsContact O-N 3.1Å; N549-L552 PolarHBondContact O-N 3.41Å; N549-A553 PolarHBondContact O-N 3.21Å
550V94Very high92Very high8 Ų876 Ų765%0.04839%0.389CS..Hα-helixtrans-71.6-43.9178.3-172.90000109.8L538 L539 E547 L552 A553 V554 F787 L791L538-V550 WeakPolarHBondContact O-CG2 3.45Å; L539-V550 HydrophobicContact CD1-CG1 4.08Å; L539-V550 HydrophobicContact CD1-CG2 4.17Å; E547-V550 HydrophobicContact CB-CG2 4.31Å; E547-V550 HydrophobicContact CG-CG2 4.32Å; E547-V550 PolarHBondContact O-N 2.74Å; V550-L552 VanDerWaalsContact C-N 3.28Å; V550-L552 PolarHBondContact O-N 3.41Å; V550-A553 PolarHBondContact O-N 2.81Å; V550-A553 VanDerWaalsContact O-N 3.13Å; V550-V554 HydrophobicContact CG1-CG2 4.23Å; V550-V554 VanDerWaalsContact O-CG2 3.27Å; V550-V554 WeakPolarHBondContact O-CG2 3.4Å; V550-V554 PolarHBondContact O-N 2.66Å; V550-F787 HydrophobicContact CG1-CE2 4.38Å; V550-F787 HydrophobicContact CG1-CZ 3.88Å; V550-L791 HydrophobicContact CB-CD1 4.2Å; V550-L791 HydrophobicContact CG1-CD1 3.99Å
551L93.1Very high92.3Very high48 Ų4874 Ų7425%0.25138%0.376SS..Hα-helixtrans-57.6-39174.1-70.2173.7000112.6L546 E547 K555 V625 L791L546-L551 HydrophobicContact CB-CD1 4.02Å; L546-L551 HydrophobicContact CD2-CD1 4.36Å; L546-L551 WeakPolarHBondContact O-CD1 3.19Å; E547-L551 PolarHBondContact O-N 3.02Å; L551-K555 WeakPolarHBondContact O-CB 3.34Å; L551-K555 PolarHBondContact O-N 3.45Å; L551-V625 HydrophobicContact CD2-CG1 4.09Å; L551-L791 HydrophobicContact CD2-CD1 4.11Å; L551-L791 HydrophobicContact CD2-CD2 4.07Å; L551-L791 HydrophobicContact CD2-CG 4.29Å; L551-L791 HydrophobicContact CG-CD1 4.33Å
552L92.7Very high92.8Very high107 Ų10773.4 Ų73.456%0.5637%0.373SS*.Hα-helixtrans-66.9-42.6174.6-74168000112.2S548 N549 V550 K555 E556S548-L552 WeakPolarHBondContact O-CB 3.02Å; S548-L552 VanDerWaalsContact O-CG 3.25Å; S548-L552 WeakPolarHBondContact O-CG 3.49Å; S548-L552 PolarHBondContact O-N 2.85Å; N549-L552 PolarHBondContact O-N 3.41Å; V550-L552 VanDerWaalsContact C-N 3.28Å; V550-L552 PolarHBondContact O-N 3.41Å; L552-K555 PolarHBondContact O-N 2.79Å; L552-E556 WeakPolarHBondContact O-CB 3.09Å; L552-E556 PolarHBondContact O-N 3.46Å
553A94Very high93.2Very high39 Ų3966.6 Ų66.632%0.32235%0.347SS..Hα-helixtrans-64.4-46177.200000112.4N549 V550 K555 E556 L557N549-A553 PolarHBondContact O-N 3.21Å; V550-A553 PolarHBondContact O-N 2.81Å; V550-A553 VanDerWaalsContact O-N 3.13Å; A553-K555 PolarHBondContact O-N 2.82Å; A553-E556 PolarHBondContact O-N 3.32Å; A553-L557 WeakPolarHBondContact O-CG 3.44Å; A553-L557 PolarHBondContact O-N 3.01Å
554V94.6Very high93.4Very high14 Ų1471.5 Ų71.59%0.08537%0.368CS..Hα-helixtrans-59.3-46.1175.1175.10000110.7V550 E556 L557 F558 T782 F787V550-V554 HydrophobicContact CG1-CG2 4.23Å; V550-V554 VanDerWaalsContact O-CG2 3.27Å; V550-V554 WeakPolarHBondContact O-CG2 3.4Å; V550-V554 PolarHBondContact O-N 2.66Å; V554-E556 VanDerWaalsContact C-N 3.31Å; V554-E556 PolarHBondContact O-N 2.81Å; V554-L557 PolarHBondContact O-N 3.38Å; V554-F558 HydrophobicContact CG1-CD2 4.07Å; V554-F558 HydrophobicContact CG1-CE1 4.24Å; V554-F558 HydrophobicContact CG1-CE2 3.58Å; V554-F558 HydrophobicContact CG1-CZ 3.69Å; V554-F558 WeakPolarHBondContact O-CG 3.49Å; V554-F558 PolarHBondContact O-N 3.44Å; V554-T782 HydrophobicContact CB-CG2 4.4Å; V554-T782 HydrophobicContact CG1-CG2 4.11Å; V554-T782 HydrophobicContact CG2-CG2 3.74Å; V554-F787 HydrophobicContact CG2-CE1 4Å; V554-F787 HydrophobicContact CG2-CZ 3.86Å
555K93.5Very high93.5Very high53 Ų5364 Ų6423%0.2334%0.342CS..Hα-helixtrans-62.8-36.7176.6-168.8-179.3-149.973.50112.3L551 L552 A553 S559 D626 C630L551-K555 WeakPolarHBondContact O-CB 3.34Å; L551-K555 PolarHBondContact O-N 3.45Å; L552-K555 PolarHBondContact O-N 2.79Å; A553-K555 PolarHBondContact O-N 2.82Å; K555-S559 WeakPolarHBondContact O-CB 3.39Å; K555-S559 PolarHBondContact O-N 3.47Å; K555-D626 PolarHBondContact NZ-O 2.84Å; K555-D626 IonicContact NZ-OD1 3.98Å; K555-D626 PolarHBondContact NZ-OD1 2.98Å; K555-C630 PolarHBondContact NZ-SG 2.87Å
556E93.3Very high93.7Very high101 Ų10161 Ų6147%0.47232%0.322SS..Hα-helixtrans-68-42.6174.4178.8162.6-150.700112L552 A553 V554 S559 R560L552-E556 WeakPolarHBondContact O-CB 3.09Å; L552-E556 PolarHBondContact O-N 3.46Å; A553-E556 PolarHBondContact O-N 3.32Å; V554-E556 VanDerWaalsContact C-N 3.31Å; V554-E556 PolarHBondContact O-N 2.81Å; E556-S559 CarbonylContact O-C 3.52Å; E556-S559 WeakPolarHBondContact O-CA 3.19Å; E556-S559 WeakPolarHBondContact O-CB 3.19Å; E556-S559 PolarHBondContact O-N 3.02Å; E556-S559 VanDerWaalsContact O-N 3.1Å; E556-R560 VanDerWaalsContact CD-NH2 3.27Å; E556-R560 HydrophobicContact CG-CG 4.23Å; E556-R560 WeakPolarHBondContact O-CG 3.27Å; E556-R560 PolarHBondContact O-N 3.5Å; E556-R560 IonicContact OE1-CZ 3.97Å; E556-R560 IonicContact OE1-NE 2.82Å; E556-R560 PolarHBondContact OE1-NE 3.23Å; E556-R560 IonicContact OE1-NH2 3.45Å; E556-R560 PolarHBondContact OE1-NH2 3.48Å; E556-R560 IonicContact OE2-NH2 2.78Å
557L94.3Very high94Very high35 Ų3558.9 Ų58.918%0.18331%0.311CS..Hα-helixtrans-57.6-52.2174.1-70.1167.6000111L538 A553 V554 S559 R560 S561 E778 L779 T782L538-L557 HydrophobicContact CD1-CD1 4.06Å; A553-L557 WeakPolarHBondContact O-CG 3.44Å; A553-L557 PolarHBondContact O-N 3.01Å; V554-L557 PolarHBondContact O-N 3.38Å; L557-S559 PolarHBondContact O-N 3.47Å; L557-R560 PolarHBondContact O-N 3.45Å; L557-R560 VanDerWaalsContact O-N 3.15Å; L557-S561 PolarHBondContact O-N 3.19Å; L557-S561 PolarHBondContact O-OG 2.87Å; L557-S561 VanDerWaalsContact O-OG 3.04Å; L557-E778 HydrophobicContact CD1-CB 3.88Å; L557-E778 HydrophobicContact CD2-CB 4.24Å; L557-L779 HydrophobicContact CB-CD2 3.86Å; L557-T782 HydrophobicContact CD1-CG2 4.31Å
558F94.2Very high94.3Very high42 Ų4257.7 Ų57.718%0.18431%0.306CS..Hα-helixtrans-62.9-26.3175-63.1-11.4000113.2V554 L566 K643 L779 F783V554-F558 HydrophobicContact CG1-CD2 4.07Å; V554-F558 HydrophobicContact CG1-CE1 4.24Å; V554-F558 HydrophobicContact CG1-CE2 3.58Å; V554-F558 HydrophobicContact CG1-CZ 3.69Å; V554-F558 WeakPolarHBondContact O-CG 3.49Å; V554-F558 PolarHBondContact O-N 3.44Å; F558-L566 HydrophobicContact CD1-CD2 3.68Å; F558-L566 HydrophobicContact CE1-CD2 4.17Å; F558-K643 PolarHBondContact O-NZ 3.05Å; F558-K643 VanDerWaalsContact O-NZ 3.14Å; F558-L779 HydrophobicContact CD1-CD2 3.9Å; F558-L779 HydrophobicContact CE1-CD2 4.03Å; F558-F783 HydrophobicContact CE1-CE1 4.27Å; F558-F783 HydrophobicContact CE1-CE2 4.04Å; F558-F783 AromaticContact CE1-CZ 3.71Å; F558-F783 HydrophobicContact CE1-CZ 3.71Å; F558-F783 HydrophobicContact CZ-CE1 4.09Å; F558-F783 AromaticContact CZ-CZ 3.99Å; F558-F783 HydrophobicContact CZ-CZ 3.99Å
559S92Very high94.5Very high79 Ų7954.1 Ų54.155%0.55228%0.281SS*.Hα-helixtrans-75.2-36.8174.9-164.50000112.7K555 E556 L557 K643K555-S559 WeakPolarHBondContact O-CB 3.39Å; K555-S559 PolarHBondContact O-N 3.47Å; E556-S559 CarbonylContact O-C 3.52Å; E556-S559 WeakPolarHBondContact O-CA 3.19Å; E556-S559 WeakPolarHBondContact O-CB 3.19Å; E556-S559 PolarHBondContact O-N 3.02Å; E556-S559 VanDerWaalsContact O-N 3.1Å; L557-S559 PolarHBondContact O-N 3.47Å; S559-K643 VanDerWaalsContact C-NZ 3.34Å; S559-K643 PolarHBondContact O-NZ 3.16Å
560R93.3Very high94.8Very high187 Ų18748.4 Ų48.471%0.70625%0.25SS*.Hα-helixtrans-76.6-30.1178.2-69.8171.5177.8-157.65.7113E556 L557E556-R560 VanDerWaalsContact CD-NH2 3.27Å; E556-R560 HydrophobicContact CG-CG 4.23Å; E556-R560 WeakPolarHBondContact O-CG 3.27Å; E556-R560 PolarHBondContact O-N 3.5Å; E556-R560 IonicContact OE1-CZ 3.97Å; E556-R560 IonicContact OE1-NE 2.82Å; E556-R560 PolarHBondContact OE1-NE 3.23Å; E556-R560 IonicContact OE1-NH2 3.45Å; E556-R560 PolarHBondContact OE1-NH2 3.48Å; E556-R560 IonicContact OE2-NH2 2.78Å; L557-R560 PolarHBondContact O-N 3.45Å; L557-R560 VanDerWaalsContact O-N 3.15Å
561S94.9Very high95Very high20 Ų2048 Ų4814%0.1425%0.248CC..SBendtrans-82.7155.1-178.5-57.50000114.4L557 L779L557-S561 PolarHBondContact O-N 3.19Å; L557-S561 PolarHBondContact O-OG 2.87Å; L557-S561 VanDerWaalsContact O-OG 3.04Å; S561-L779 VanDerWaalsContact OG-CD1 3.32Å; S561-L779 WeakPolarHBondContact OG-CD1 3.37Å
562D94.1Very high95.1Very high94 Ų9446 Ų4650%0.50324%0.238SC..  trans-88.2159.4169.572.5-80000112.4K564 S565 L566D562-K564 VanDerWaalsContact C-N 3.31Å; D562-K564 PolarHBondContact O-N 3.32Å; D562-K564 WeakPolarHBondContact OD2-CA 3.36Å; D562-K564 WeakPolarHBondContact OD2-CB 3.31Å; D562-K564 PolarHBondContact OD2-N 3.43Å; D562-S565 PolarHBondContact O-N 2.81Å; D562-S565 WeakPolarHBondContact OD1-CB 3.29Å; D562-S565 PolarHBondContact OD2-N 3.2Å; D562-L566 WeakPolarHBondContact O-CG 3.41Å; D562-L566 PolarHBondContact O-N 3.2Å
563A95.6Very high95.3Very high28 Ų2841.3 Ų41.323%0.23121%0.214CC..Hα-helixtrans-64.8-28.6-175.900000114.2A567 L646 A650A563-A567 WeakPolarHBondContact O-CB 3.39Å; A563-A567 PolarHBondContact O-N 3.19Å; A563-L646 HydrophobicContact CB-CB 4.1Å; A563-A650 HydrophobicContact CB-CB 4.26Å; A563-A650 WeakPolarHBondContact O-CB 3.2Å
564K95.2Very high95.5Very high108 Ų10839.5 Ų39.547%0.4720%0.199SC..Hα-helixtrans-76.8-42178-175-174.4174-172.10110.6D562 A567 L568 H654D562-K564 VanDerWaalsContact C-N 3.31Å; D562-K564 PolarHBondContact O-N 3.32Å; D562-K564 WeakPolarHBondContact OD2-CA 3.36Å; D562-K564 WeakPolarHBondContact OD2-CB 3.31Å; D562-K564 PolarHBondContact OD2-N 3.43Å; K564-A567 PolarHBondContact O-N 2.89Å; K564-L568 HydrophobicContact CG-CD1 4.29Å; K564-L568 WeakPolarHBondContact O-CG 3.32Å; K564-L568 PolarHBondContact O-N 3.03Å; K564-H654 HydrophobicContact CG-CB 4.42Å
565S95.3Very high95.6Very high20 Ų2038.9 Ų38.914%0.1419%0.194CC..Hα-helixtrans-59.6-47.5172.7-1780000111.1D562 A567 L568 H569D562-S565 PolarHBondContact O-N 2.81Å; D562-S565 WeakPolarHBondContact OD1-CB 3.29Å; D562-S565 PolarHBondContact OD2-N 3.2Å; S565-A567 PolarHBondContact O-N 3.39Å; S565-L568 PolarHBondContact O-N 3.31Å; S565-H569 PolarHBondContact O-N 3.28Å; S565-H569 PolarHBondContact O-ND1 2.83Å; S565-H569 PolarHBondContact OG-CE1 2.81Å
566L96.9Very high95.7Very high15 Ų1541.4 Ų41.48%0.07921%0.207CC..Hα-helixtrans-58.3-45.8175.5-67.9173.4000112F558 D562 L568 H569 M570 L647 L779 F783F558-L566 HydrophobicContact CD1-CD2 3.68Å; F558-L566 HydrophobicContact CE1-CD2 4.17Å; D562-L566 WeakPolarHBondContact O-CG 3.41Å; D562-L566 PolarHBondContact O-N 3.2Å; L566-L568 VanDerWaalsContact C-N 3.34Å; L566-L568 PolarHBondContact O-N 2.95Å; L566-H569 PolarHBondContact O-N 3.12Å; L566-M570 WeakPolarHBondContact O-CG 3.47Å; L566-M570 PolarHBondContact O-N 2.99Å; L566-L647 HydrophobicContact CB-CD1 3.81Å; L566-L779 HydrophobicContact CD2-CD1 4.32Å; L566-L779 HydrophobicContact CD2-CD2 3.87Å; L566-F783 HydrophobicContact CB-CZ 4.42Å; L566-F783 HydrophobicContact CD2-CE2 3.98Å; L566-F783 HydrophobicContact CD2-CZ 4Å
567A97.6Very high95.9Very high0 Ų037.5 Ų37.50%019%0.19CC..Hα-helixtrans-61.6-36.9176.500000113.4A563 K564 S565 M570 L571 L647 A650 L651 V655A563-A567 WeakPolarHBondContact O-CB 3.39Å; A563-A567 PolarHBondContact O-N 3.19Å; K564-A567 PolarHBondContact O-N 2.89Å; S565-A567 PolarHBondContact O-N 3.39Å; A567-M570 PolarHBondContact O-N 3.27Å; A567-L571 WeakPolarHBondContact O-CB 3.47Å; A567-L571 PolarHBondContact O-N 2.82Å; A567-L647 HydrophobicContact CB-CD1 3.98Å; A567-A650 HydrophobicContact CB-CB 3.89Å; A567-L651 HydrophobicContact CB-CD2 3.8Å; A567-L651 HydrophobicContact CB-CG 3.9Å; A567-V655 HydrophobicContact CB-CB 4.24Å; A567-V655 HydrophobicContact CB-CG2 3.59Å
568L97.2Very high96Very high16 Ų1636 Ų368%0.08418%0.183CC..Hα-helixtrans-69.4-37.2175.1-73.1168.7000112.5K564 S565 L566 S572 V655 L769 W773K564-L568 HydrophobicContact CG-CD1 4.29Å; K564-L568 WeakPolarHBondContact O-CG 3.32Å; K564-L568 PolarHBondContact O-N 3.03Å; S565-L568 PolarHBondContact O-N 3.31Å; L566-L568 VanDerWaalsContact C-N 3.34Å; L566-L568 PolarHBondContact O-N 2.95Å; L568-S572 WeakPolarHBondContact O-CB 3.45Å; L568-S572 PolarHBondContact O-N 3.2Å; L568-V655 HydrophobicContact CD2-CG1 4.37Å; L568-V655 HydrophobicContact CD2-CG2 4.02Å; L568-V655 HydrophobicContact CG-CG2 4.09Å; L568-L769 HydrophobicContact CD2-CB 4.33Å; L568-W773 HydrophobicContact CB-CD2 4.46Å; L568-W773 HydrophobicContact CB-CZ2 4.16Å; L568-W773 HydrophobicContact CD1-CG 4.33Å
569H97.6Very high96.1Very high1 Ų135 Ų351%0.00518%0.178CC..Hα-helixtrans-63.2-44.5172.8-71.885.8000111.2S565 L566 S572 V573 W773 I776 L779 F783S565-H569 PolarHBondContact O-N 3.28Å; S565-H569 PolarHBondContact O-ND1 2.83Å; S565-H569 PolarHBondContact OG-CE1 2.81Å; L566-H569 PolarHBondContact O-N 3.12Å; H569-S572 PolarHBondContact O-N 3.12Å; H569-S572 PolarHBondContact O-OG 3.31Å; H569-V573 PolarHBondContact O-N 3.03Å; H569-W773 HydrophobicContact CB-CZ2 4.36Å; H569-W773 AromaticContact CD2-CZ2 3.62Å; H569-W773 AromaticContact CE1-CZ2 3.67Å; H569-W773 AromaticContact CG-CZ2 3.68Å; H569-W773 AromaticContact ND1-CZ2 3.72Å; H569-W773 AromaticContact NE2-CZ2 3.61Å; H569-I776 PolarHBondContact NE2-N 2.8Å; H569-L779 HydrophobicContact CB-CB 4.47Å; H569-L779 VanDerWaalsContact CD2-CB 3.45Å; H569-L779 WeakPolarHBondContact CD2-CB 3.48Å; H569-F783 HydrophobicContact CB-CD2 3.61Å; H569-F783 HydrophobicContact CB-CE2 3.8Å
570M97.6Very high96.3Very high2 Ų231.2 Ų31.21%0.0115%0.152CC..Hα-helixtrans-56.2-59.2173.6-67.2177.780.600110.8L566 A567 S572 V573 D574 I619 L647 L651 V664 F783L566-M570 WeakPolarHBondContact O-CG 3.47Å; L566-M570 PolarHBondContact O-N 2.99Å; A567-M570 PolarHBondContact O-N 3.27Å; M570-S572 PolarHBondContact O-N 2.83Å; M570-S572 VanDerWaalsContact O-N 3.11Å; M570-V573 PolarHBondContact O-N 2.94Å; M570-D574 PolarHBondContact O-N 2.9Å; M570-I619 HydrophobicContact CE-CD1 4.46Å; M570-I619 HydrophobicContact CE-CG2 3.58Å; M570-L647 HydrophobicContact SD-CD1 4.02Å; M570-L647 HydrophobicContact SD-CD2 3.98Å; M570-L647 HydrophobicContact SD-CG 4.3Å; M570-L651 HydrophobicContact CB-CD2 4.26Å; M570-L651 HydrophobicContact CE-CD1 4.29Å; M570-L651 HydrophobicContact SD-CD1 4.07Å; M570-L651 HydrophobicContact SD-CD2 4.26Å; M570-V664 HydrophobicContact CE-CG2 4.32Å; M570-F783 HydrophobicContact CE-CE1 4.38Å; M570-F783 HydrophobicContact CG-CD1 3.51Å; M570-F783 HydrophobicContact CG-CD2 4.21Å; M570-F783 HydrophobicContact CG-CE1 3.39Å; M570-F783 HydrophobicContact CG-CE2 4.11Å; M570-F783 HydrophobicContact CG-CG 3.93Å; M570-F783 HydrophobicContact CG-CZ 3.7Å; M570-F783 HydrophobicContact SD-CD1 4.38Å; M570-F783 HydrophobicContact SD-CE1 3.79Å; M570-F783 HydrophobicContact SD-CZ 4.18Å
571L97.3Very high96.3Very high0 Ų023.8 Ų23.80%013%0.127CC..Hα-helixtrans-48.7-44.2177.4174.871.5000112.3A567 V573 D574 C575 V655 D657 A718 V719 L769 L770A567-L571 WeakPolarHBondContact O-CB 3.47Å; A567-L571 PolarHBondContact O-N 2.82Å; L571-V573 VanDerWaalsContact C-N 3.26Å; L571-V573 PolarHBondContact O-N 3.47Å; L571-D574 PolarHBondContact O-N 3.44Å; L571-C575 WeakPolarHBondContact CD1-SG 3.37Å; L571-C575 VanDerWaalsContact O-CB 3.28Å; L571-C575 WeakPolarHBondContact O-CB 3.49Å; L571-C575 PolarHBondContact O-N 2.93Å; L571-C575 PolarHBondContact O-SG 2.81Å; L571-V655 HydrophobicContact CB-CG1 3.48Å; L571-V655 VanDerWaalsContact CB-CG1 3.48Å; L571-V655 HydrophobicContact CD1-CG1 4.27Å; L571-V655 HydrophobicContact CD2-CG1 3.5Å; L571-V655 VanDerWaalsContact CD2-CG1 3.5Å; L571-V655 HydrophobicContact CG-CG1 3.9Å; L571-D657 HydrophobicContact CD1-CB 4.17Å; L571-A718 HydrophobicContact CD1-CB 3.65Å; L571-A718 HydrophobicContact CD2-CB 4.28Å; L571-V719 HydrophobicContact CD1-CG2 3.63Å; L571-L769 HydrophobicContact CD2-CB 4.12Å; L571-L769 HydrophobicContact CD2-CD1 3.93Å; L571-L770 HydrophobicContact CD2-CD1 4.46Å; L571-L770 HydrophobicContact CD2-CD2 4.36Å; L571-L770 HydrophobicContact CD2-CG 4.3Å
572S96.6Very high95.9Very high6 Ų625.8 Ų25.84%0.04215%0.151CC..Hα-helixtrans-62.6-32.8-177.177.20000113.1L568 H569 M570 Q576 W773 L780L568-S572 WeakPolarHBondContact O-CB 3.45Å; L568-S572 PolarHBondContact O-N 3.2Å; H569-S572 PolarHBondContact O-N 3.12Å; H569-S572 PolarHBondContact O-OG 3.31Å; M570-S572 PolarHBondContact O-N 2.83Å; M570-S572 VanDerWaalsContact O-N 3.11Å; S572-Q576 VanDerWaalsContact O-CD 3.3Å; S572-Q576 VanDerWaalsContact O-CG 3.25Å; S572-Q576 WeakPolarHBondContact O-CG 3.38Å; S572-Q576 PolarHBondContact O-NE2 3.35Å; S572-W773 WeakPolarHBondContact OG-CH2 3.14Å; S572-L780 WeakPolarHBondContact OG-CD2 3.37Å
573V97.1Very high95.9Very high8 Ų822.1 Ų22.15%0.04813%0.132CC..Hα-helixtrans-86.6-38.8176-174.70000110.6H569 M570 L571 C575 Q576 V577 L780 F783H569-V573 PolarHBondContact O-N 3.03Å; M570-V573 PolarHBondContact O-N 2.94Å; L571-V573 VanDerWaalsContact C-N 3.26Å; L571-V573 PolarHBondContact O-N 3.47Å; V573-C575 PolarHBondContact O-N 3.2Å; V573-Q576 WeakPolarHBondContact O-CB 3.4Å; V573-Q576 PolarHBondContact O-N 2.98Å; V573-Q576 VanDerWaalsContact O-N 3.1Å; V573-V577 HydrophobicContact CG1-CG2 4.23Å; V573-V577 WeakPolarHBondContact O-CG2 3.45Å; V573-V577 PolarHBondContact O-N 2.91Å; V573-L780 HydrophobicContact CG2-CD2 4.13Å; V573-F783 HydrophobicContact CG2-CB 4.3Å
574D97.8Very high95.7Very high1 Ų124.2 Ų24.21%0.00514%0.142CC..Hα-helixtrans-60.8-43.8176.5-68-43.7000111.5M570 L571 Q576 V577 A578 R615 F659 S660M570-D574 PolarHBondContact O-N 2.9Å; L571-D574 PolarHBondContact O-N 3.44Å; D574-Q576 VanDerWaalsContact C-N 3.3Å; D574-Q576 PolarHBondContact O-N 3.47Å; D574-V577 PolarHBondContact O-N 2.97Å; D574-A578 WeakPolarHBondContact O-CB 3.29Å; D574-A578 PolarHBondContact O-N 2.79Å; D574-R615 IonicContact OD1-CZ 2.86Å; D574-R615 IonicContact OD1-NE 3.21Å; D574-R615 PolarHBondContact OD1-NE 3.25Å; D574-R615 IonicContact OD1-NH2 2.75Å; D574-R615 PolarHBondContact OD1-NH2 3.42Å; D574-R615 IonicContact OD2-NH2 2.82Å; D574-F659 HydrophobicContact CB-CD1 4.47Å; D574-S660 VanDerWaalsContact CG-OG 3.32Å; D574-S660 WeakPolarHBondContact OD2-CB 3.17Å; D574-S660 PolarHBondContact OD2-OG 3.04Å
575C96.6Very high95.4Very high0 Ų024.8 Ų24.80%015%0.15CC..Hα-helixtrans-66-26173.5-74.80000114.4L571 V573 R579 I580 V581 A766L571-C575 WeakPolarHBondContact CD1-SG 3.37Å; L571-C575 VanDerWaalsContact O-CB 3.28Å; L571-C575 WeakPolarHBondContact O-CB 3.49Å; L571-C575 PolarHBondContact O-N 2.93Å; L571-C575 PolarHBondContact O-SG 2.81Å; V573-C575 PolarHBondContact O-N 3.2Å; C575-R579 PolarHBondContact O-N 2.99Å; C575-I580 HydrophobicContact CB-CB 4.2Å; C575-I580 PolarHBondContact O-N 3.4Å; C575-V581 HydrophobicContact CB-CB 4.08Å; C575-V581 HydrophobicContact CB-CG2 3.93Å; C575-V581 PolarHBondContact O-N 3.5Å; C575-A766 VanDerWaalsContact SG-CB 3.54Å
576Q95.6Very high95.2Very high106 Ų10628.2 Ų28.250%0.49516%0.164SC..Hα-helixtrans-76.5-51.4174.2-74.5169.243.800110.4S572 V573 D574 R579S572-Q576 VanDerWaalsContact O-CD 3.3Å; S572-Q576 VanDerWaalsContact O-CG 3.25Å; S572-Q576 WeakPolarHBondContact O-CG 3.38Å; S572-Q576 PolarHBondContact O-NE2 3.35Å; V573-Q576 WeakPolarHBondContact O-CB 3.4Å; V573-Q576 PolarHBondContact O-N 2.98Å; V573-Q576 VanDerWaalsContact O-N 3.1Å; D574-Q576 VanDerWaalsContact C-N 3.3Å; D574-Q576 PolarHBondContact O-N 3.47Å; Q576-R579 PolarHBondContact O-N 3.46Å
577V96.5Very high94.8Very high20 Ų2031 Ų3112%0.12118%0.177CC..Hα-helixtrans-64.3-43.7-179.4177.70000111.1F529 V573 D574 R579 L608 L612F529-V577 HydrophobicContact CE1-CG1 3.93Å; F529-V577 HydrophobicContact CE1-CG2 4.15Å; F529-V577 HydrophobicContact CZ-CG1 3.84Å; V573-V577 HydrophobicContact CG1-CG2 4.23Å; V573-V577 WeakPolarHBondContact O-CG2 3.45Å; V573-V577 PolarHBondContact O-N 2.91Å; D574-V577 PolarHBondContact O-N 2.97Å; V577-R579 PolarHBondContact O-N 3.28Å; V577-L608 VanDerWaalsContact O-CD1 3.26Å; V577-L608 WeakPolarHBondContact O-CD1 3.28Å; V577-L612 HydrophobicContact CG1-CD2 3.98Å
578A96.8Very high94.6Very high3 Ų334 Ų343%0.02519%0.189CC..THydrogen-bonded Turntrans-75.12.917500000114.1D574 I580 G596 L612D574-A578 WeakPolarHBondContact O-CB 3.29Å; D574-A578 PolarHBondContact O-N 2.79Å; A578-I580 VanDerWaalsContact C-N 3.31Å; A578-I580 HydrophobicContact CB-CD1 3.87Å; A578-I580 HydrophobicContact CB-CG1 4.02Å; A578-I580 PolarHBondContact O-N 2.93Å; A578-G596 VanDerWaalsContact O-CA 3.29Å; A578-G596 WeakPolarHBondContact O-CA 3.4Å; A578-L612 HydrophobicContact CB-CD1 4.5Å; A578-L612 HydrophobicContact CB-CD2 3.98Å
579R96.4Very high94.2Very high21 Ų2138.6 Ų38.68%0.07921%0.206CC..THydrogen-bonded Turntrans51.848.1177.5-46.3179.3-166.3-176.72.6112.3E524 C575 Q576 V577 V583 M591 S595 G596E524-R579 IonicContact OE1-CZ 3.72Å; E524-R579 IonicContact OE1-NH1 2.77Å; E524-R579 PolarHBondContact OE1-NH1 3.15Å; E524-R579 IonicContact OE1-NH2 3.93Å; E524-R579 PolarHBondContact OE1-NH2 3.17Å; E524-R579 IonicContact OE2-CZ 2.91Å; E524-R579 IonicContact OE2-NH1 3.47Å; E524-R579 PolarHBondContact OE2-NH1 2.82Å; E524-R579 IonicContact OE2-NH2 3.18Å; E524-R579 PolarHBondContact OE2-NH2 2.99Å; C575-R579 PolarHBondContact O-N 2.99Å; Q576-R579 PolarHBondContact O-N 3.46Å; V577-R579 PolarHBondContact O-N 3.28Å; R579-V583 VanDerWaalsContact C-CG2 3.49Å; R579-V583 HydrophobicContact CB-CG2 3.91Å; R579-V583 VanDerWaalsContact O-CG2 3.26Å; R579-V583 WeakPolarHBondContact O-CG2 3.19Å; R579-M591 WeakPolarHBondContact CD-SD 3.19Å; R579-M591 PolarHBondContact NH1-SD 3.01Å; R579-M591 VanDerWaalsContact NH1-SD 3.39Å; R579-S595 WeakPolarHBondContact O-CA 3.24Å; R579-S595 PolarHBondContact O-OG 3.13Å; R579-S595 VanDerWaalsContact O-OG 3.09Å; R579-G596 PolarHBondContact O-N 3.49Å
580I95.8Very high93.9Very high0 Ų040.8 Ų40.80%022%0.217CC..SBendtrans-96.3-40.6175.1-60.6171.8000109.5C575 A578 L597 V719 Q763 A766C575-I580 HydrophobicContact CB-CB 4.2Å; C575-I580 PolarHBondContact O-N 3.4Å; A578-I580 VanDerWaalsContact C-N 3.31Å; A578-I580 HydrophobicContact CB-CD1 3.87Å; A578-I580 HydrophobicContact CB-CG1 4.02Å; A578-I580 PolarHBondContact O-N 2.93Å; I580-L597 HydrophobicContact CD1-CD1 4.09Å; I580-L597 HydrophobicContact CD1-CD2 4.09Å; I580-L597 HydrophobicContact CD1-CG 4.11Å; I580-L597 HydrophobicContact CG1-CD1 4.02Å; I580-L597 HydrophobicContact CG1-CD2 4.35Å; I580-L597 HydrophobicContact CG1-CG 3.9Å; I580-V719 HydrophobicContact CD1-CB 4.4Å; I580-V719 HydrophobicContact CD1-CG1 4.06Å; I580-V719 HydrophobicContact CD1-CG2 3.99Å; I580-Q763 HydrophobicContact CG2-CB 4.22Å; I580-Q763 WeakPolarHBondContact O-CG 3.38Å; I580-Q763 PolarHBondContact O-NE2 2.87Å; I580-A766 HydrophobicContact CG2-CB 4.46Å
581V92.8Very high93.7Very high30 Ų3040.8 Ų40.818%0.18222%0.217CC..SBendtrans-128.2148.2179.4-175.60000109.4C575 V583 A766 Q767C575-V581 HydrophobicContact CB-CB 4.08Å; C575-V581 HydrophobicContact CB-CG2 3.93Å; C575-V581 PolarHBondContact O-N 3.5Å; V581-V583 VanDerWaalsContact C-N 3.33Å; V581-V583 PolarHBondContact O-N 3.07Å; V581-A766 HydrophobicContact CG2-CB 3.7Å; V581-Q767 HydrophobicContact CG1-CG 4.25Å; V581-Q767 HydrophobicContact CG2-CG 4.25Å
582G87.9Confident93.4Very high63 Ų6343.1 Ų43.165%0.64924%0.241SC*.SBendtrans81.54.7177.800000115.6T584G582-T584 PolarHBondContact O-N 3.3Å
583V92.6Very high93.3Very high17 Ų1743.4 Ų43.410%0.10324%0.242CC..  trans-64.7115.5-179.3-166.90000110.9R579 V581 Q587 K588 M591R579-V583 VanDerWaalsContact C-CG2 3.49Å; R579-V583 HydrophobicContact CB-CG2 3.91Å; R579-V583 VanDerWaalsContact O-CG2 3.26Å; R579-V583 WeakPolarHBondContact O-CG2 3.19Å; V581-V583 VanDerWaalsContact C-N 3.33Å; V581-V583 PolarHBondContact O-N 3.07Å; V583-Q587 HydrophobicContact CG1-CB 3.82Å; V583-K588 HydrophobicContact CG1-CG 3.84Å; V583-K588 WeakPolarHBondContact O-CE 3.42Å; V583-M591 HydrophobicContact CG1-CE 3.61Å
584T91.9Very high93Very high72 Ų7247.5 Ų47.544%0.44226%0.264SS..  trans-72.7157176.768.60000111.2G582 E586 Q587 K588G582-T584 PolarHBondContact O-N 3.3Å; T584-E586 PolarHBondContact O-N 2.99Å; T584-Q587 WeakPolarHBondContact O-CB 3.4Å; T584-Q587 PolarHBondContact O-N 3.46Å; T584-Q587 WeakPolarHBondContact OG1-CG 3.04Å; T584-Q587 PolarHBondContact OG1-N 3.07Å; T584-Q587 VanDerWaalsContact OG1-N 3.09Å; T584-Q587 PolarHBondContact OG1-OE1 3.26Å; T584-K588 WeakPolarHBondContact O-CG 3.39Å; T584-K588 PolarHBondContact O-N 3.35Å
585D90.3Very high92.9Very high120 Ų12047.7 Ų47.764%0.64227%0.265SS*.Hα-helixtrans-64.1-27.8176.1-57.2-55.8000112.2K588 R589D585-K588 PolarHBondContact O-N 2.97Å; D585-K588 IonicContact OD1-NZ 2.86Å; D585-K588 PolarHBondContact OD1-NZ 3.48Å; D585-R589 WeakPolarHBondContact O-CB 3.31Å; D585-R589 PolarHBondContact O-N 2.89Å
586E89.2Confident92.9Very high91 Ų9147.7 Ų47.743%0.42527%0.265SS..Hα-helixtrans-63.3-44.5169.3-178.362.9-177.200112.1T584 K588 R589 I590T584-E586 PolarHBondContact O-N 2.99Å; E586-K588 PolarHBondContact O-N 3.26Å; E586-R589 WeakPolarHBondContact O-CB 3.43Å; E586-R589 PolarHBondContact O-N 3.14Å; E586-R589 IonicContact OE1-CZ 3.29Å; E586-R589 IonicContact OE1-NE 2.77Å; E586-R589 IonicContact OE1-NH2 3.53Å; E586-R589 PolarHBondContact OE1-NH2 2.9Å; E586-R589 IonicContact OE2-CZ 2.68Å; E586-R589 IonicContact OE2-NE 3.48Å; E586-R589 PolarHBondContact OE2-NE 3.02Å; E586-R589 IonicContact OE2-NH2 3.31Å; E586-R589 PolarHBondContact OE2-NH2 3.25Å; E586-I590 HydrophobicContact CG-CD1 4.01Å; E586-I590 WeakPolarHBondContact O-CB 3.48Å; E586-I590 VanDerWaalsContact O-CG1 3.27Å; E586-I590 WeakPolarHBondContact O-CG1 3.4Å; E586-I590 PolarHBondContact O-N 2.87Å
587Q90.5Very high93Very high75 Ų7542.8 Ų42.835%0.3524%0.242SC..Hα-helixtrans-64.2-40.2174.4-74.5168.1-35.400111.5V583 T584 R589 I590 M591V583-Q587 HydrophobicContact CG1-CB 3.82Å; T584-Q587 WeakPolarHBondContact O-CB 3.4Å; T584-Q587 PolarHBondContact O-N 3.46Å; T584-Q587 WeakPolarHBondContact OG1-CG 3.04Å; T584-Q587 PolarHBondContact OG1-N 3.07Å; T584-Q587 VanDerWaalsContact OG1-N 3.09Å; T584-Q587 PolarHBondContact OG1-OE1 3.26Å; Q587-R589 VanDerWaalsContact C-N 3.34Å; Q587-R589 PolarHBondContact O-N 3.1Å; Q587-I590 PolarHBondContact O-N 3.31Å; Q587-M591 HydrophobicContact CB-CE 4.43Å; Q587-M591 WeakPolarHBondContact O-CB 3.32Å; Q587-M591 WeakPolarHBondContact O-CG 3.44Å; Q587-M591 PolarHBondContact O-N 3.46Å
588K91.9Very high93Very high62 Ų6244.8 Ų44.827%0.2725%0.25SS..Hα-helixtrans-60.9-43.2174.8-61.1169.7-1561620111.4V583 T584 D585 E586 M591 G592V583-K588 HydrophobicContact CG1-CG 3.84Å; V583-K588 WeakPolarHBondContact O-CE 3.42Å; T584-K588 WeakPolarHBondContact O-CG 3.39Å; T584-K588 PolarHBondContact O-N 3.35Å; D585-K588 PolarHBondContact O-N 2.97Å; D585-K588 IonicContact OD1-NZ 2.86Å; D585-K588 PolarHBondContact OD1-NZ 3.48Å; E586-K588 PolarHBondContact O-N 3.26Å; K588-M591 PolarHBondContact O-N 3.36Å; K588-G592 WeakPolarHBondContact O-CA 3.45Å; K588-G592 PolarHBondContact O-N 3.35Å
589R90Very high93Very high113 Ų11344.8 Ų44.843%0.42625%0.25SS..Hα-helixtrans-59.6-46.3176-172.217378.295.75.8111.9E519 D585 E586 Q587E519-R589 IonicContact OE1-CZ 2.64Å; E519-R589 IonicContact OE1-NH1 3.68Å; E519-R589 PolarHBondContact OE1-NH1 3.1Å; E519-R589 WeakPolarHBondContact OE2-CD 3.32Å; E519-R589 WeakPolarHBondContact OE2-CG 3.47Å; E519-R589 IonicContact OE2-CZ 3.53Å; E519-R589 IonicContact OE2-NE 3.42Å; E519-R589 IonicContact OE2-NH1 2.86Å; E519-R589 PolarHBondContact OE2-NH1 3.28Å; D585-R589 WeakPolarHBondContact O-CB 3.31Å; D585-R589 PolarHBondContact O-N 2.89Å; E586-R589 WeakPolarHBondContact O-CB 3.43Å; E586-R589 PolarHBondContact O-N 3.14Å; E586-R589 IonicContact OE1-CZ 3.29Å; E586-R589 IonicContact OE1-NE 2.77Å; E586-R589 IonicContact OE1-NH2 3.53Å; E586-R589 PolarHBondContact OE1-NH2 2.9Å; E586-R589 IonicContact OE2-CZ 2.68Å; E586-R589 IonicContact OE2-NE 3.48Å; E586-R589 PolarHBondContact OE2-NE 3.02Å; E586-R589 IonicContact OE2-NH2 3.31Å; E586-R589 PolarHBondContact OE2-NH2 3.25Å; Q587-R589 VanDerWaalsContact C-N 3.34Å; Q587-R589 PolarHBondContact O-N 3.1Å
590I90.4Very high93Very high47 Ų4743.9 Ų43.924%0.24125%0.247CC..Hα-helixtrans-64.5-47.1176.4-70.6168.9000111.6P521 H522 E586 Q587P521-I590 WeakPolarHBondContact CA-O 3.22Å; H522-I590 HydrophobicContact CB-CG2 4.01Å; H522-I590 PolarHBondContact N-O 3.21Å; E586-I590 HydrophobicContact CG-CD1 4.01Å; E586-I590 WeakPolarHBondContact O-CB 3.48Å; E586-I590 VanDerWaalsContact O-CG1 3.27Å; E586-I590 WeakPolarHBondContact O-CG1 3.4Å; E586-I590 PolarHBondContact O-N 2.87Å; Q587-I590 PolarHBondContact O-N 3.31Å
591M93.7Very high93Very high2 Ų246 Ų461%0.0126%0.26CS..Hα-helixtrans-75.8-25.2-176.1-64.9-176.1-53.400113.8R579 V583 Q587 K588 V593 L599 H604R579-M591 WeakPolarHBondContact CD-SD 3.19Å; R579-M591 PolarHBondContact NH1-SD 3.01Å; R579-M591 VanDerWaalsContact NH1-SD 3.39Å; V583-M591 HydrophobicContact CG1-CE 3.61Å; Q587-M591 HydrophobicContact CB-CE 4.43Å; Q587-M591 WeakPolarHBondContact O-CB 3.32Å; Q587-M591 WeakPolarHBondContact O-CG 3.44Å; Q587-M591 PolarHBondContact O-N 3.46Å; K588-M591 PolarHBondContact O-N 3.36Å; M591-V593 HydrophobicContact CB-CG2 3.8Å; M591-V593 PolarHBondContact O-N 3.11Å; M591-L599 HydrophobicContact CB-CD2 4.23Å; M591-L599 HydrophobicContact CG-CD2 3.75Å; M591-L599 HydrophobicContact SD-CD2 3.67Å; M591-H604 PolarHBondContact O-NE2 3.31Å
592G92.1Very high93.2Very high48 Ų4847.1 Ų47.150%0.49527%0.265SS..THydrogen-bonded Turntrans75.25.2-171.600000115.1K588K588-G592 WeakPolarHBondContact O-CA 3.45Å; K588-G592 PolarHBondContact O-N 3.35Å
593V93.8Very high93.5Very high13 Ų1349.4 Ų49.48%0.07927%0.268CS..SBendtrans-143.9161.6-171.7-70.40000111.3M591 E598 L599 L602M591-V593 HydrophobicContact CB-CG2 3.8Å; M591-V593 PolarHBondContact O-N 3.11Å; V593-E598 HydrophobicContact CB-CB 4.13Å; V593-E598 HydrophobicContact CB-CG 4.02Å; V593-E598 WeakPolarHBondContact CB-OE2 3.25Å; V593-E598 HydrophobicContact CG1-CB 4.4Å; V593-E598 HydrophobicContact CG1-CG 3.8Å; V593-E598 HydrophobicContact CG2-CB 4.43Å; V593-L599 HydrophobicContact CG2-CB 3.79Å; V593-L599 HydrophobicContact CG2-CD1 4.33Å; V593-L602 HydrophobicContact CG1-CD1 3.75Å
594N91.3Very high93.5Very high94 Ų9450.4 Ų50.450%0.50327%0.271SS..SBendtrans-85.7-18.8-171.3-71.7-75.1000114.2E598N594-E598 PolarHBondContact N-OE2 3.2Å
595S95.6Very high93.7Very high4 Ų447 Ų473%0.02825%0.251CS..  trans-148.5151.5-177.5-178.50000112.1R579 L597 E598 L599R579-S595 WeakPolarHBondContact O-CA 3.24Å; R579-S595 PolarHBondContact O-OG 3.13Å; R579-S595 VanDerWaalsContact O-OG 3.09Å; S595-L597 PolarHBondContact O-N 3.03Å; S595-L597 PolarHBondContact OG-N 3.38Å; S595-E598 WeakPolarHBondContact O-CB 3.28Å; S595-E598 PolarHBondContact O-N 2.84Å; S595-L599 PolarHBondContact O-N 3.47Å; S595-L599 VanDerWaalsContact O-N 3.11Å
596G96.4Very high94Very high1 Ų145.4 Ų45.41%0.0124%0.239CC..Hα-helixtrans-61.4-26.4171.400000113.7A578 R579 E598 L599 V600A578-G596 VanDerWaalsContact O-CA 3.29Å; A578-G596 WeakPolarHBondContact O-CA 3.4Å; R579-G596 PolarHBondContact O-N 3.49Å; G596-E598 PolarHBondContact O-N 3.41Å; G596-L599 PolarHBondContact O-N 2.72Å; G596-V600 WeakPolarHBondContact O-CG1 3.48Å; G596-V600 WeakPolarHBondContact O-CG2 3.15Å; G596-V600 PolarHBondContact O-N 2.98Å
597L96.6Very high94.3Very high2 Ų242.2 Ų42.21%0.0122%0.224CC..Hα-helixtrans-63.2-28.9172.9-65.3177.1000112.8I580 S595 P720 L722 Y762I580-L597 HydrophobicContact CD1-CD1 4.09Å; I580-L597 HydrophobicContact CD1-CD2 4.09Å; I580-L597 HydrophobicContact CD1-CG 4.11Å; I580-L597 HydrophobicContact CG1-CD1 4.02Å; I580-L597 HydrophobicContact CG1-CD2 4.35Å; I580-L597 HydrophobicContact CG1-CG 3.9Å; S595-L597 PolarHBondContact O-N 3.03Å; S595-L597 PolarHBondContact OG-N 3.38Å; L597-P720 HydrophobicContact CD2-CG 3.73Å; L597-L722 HydrophobicContact CD2-CD1 4.12Å; L597-L722 HydrophobicContact CD2-CD2 3.96Å; L597-Y762 HydrophobicContact CD1-CD1 4.49Å; L597-Y762 HydrophobicContact CD1-CD2 3.81Å; L597-Y762 HydrophobicContact CD1-CG 3.77Å
598E96.7Very high94.6Very high62 Ų6238.7 Ų38.729%0.2921%0.208SC..Hα-helixtrans-79.5-48.9171.4-165.1177.8-177.600109.2V593 N594 S595 G596 V600 T601V593-E598 HydrophobicContact CB-CB 4.13Å; V593-E598 HydrophobicContact CB-CG 4.02Å; V593-E598 WeakPolarHBondContact CB-OE2 3.25Å; V593-E598 HydrophobicContact CG1-CB 4.4Å; V593-E598 HydrophobicContact CG1-CG 3.8Å; V593-E598 HydrophobicContact CG2-CB 4.43Å; N594-E598 PolarHBondContact N-OE2 3.2Å; S595-E598 WeakPolarHBondContact O-CB 3.28Å; S595-E598 PolarHBondContact O-N 2.84Å; G596-E598 PolarHBondContact O-N 3.41Å; E598-V600 PolarHBondContact O-N 2.97Å; E598-T601 PolarHBondContact O-N 3.21Å; E598-T601 VanDerWaalsContact O-N 3.1Å; E598-T601 PolarHBondContact O-OG1 3.32Å
599L96.8Very high94.9Very high4 Ų436.2 Ų36.22%0.02120%0.197CC..Hα-helixtrans-56-43.1-177.8-177.558.9000113.8M591 V593 S595 G596 T601 L602 H604 G605 L608M591-L599 HydrophobicContact CB-CD2 4.23Å; M591-L599 HydrophobicContact CG-CD2 3.75Å; M591-L599 HydrophobicContact SD-CD2 3.67Å; V593-L599 HydrophobicContact CG2-CB 3.79Å; V593-L599 HydrophobicContact CG2-CD1 4.33Å; S595-L599 PolarHBondContact O-N 3.47Å; S595-L599 VanDerWaalsContact O-N 3.11Å; G596-L599 PolarHBondContact O-N 2.72Å; L599-T601 PolarHBondContact O-N 3.46Å; L599-T601 VanDerWaalsContact O-N 3.13Å; L599-L602 WeakPolarHBondContact O-CB 3.16Å; L599-L602 PolarHBondContact O-N 2.67Å; L599-H604 WeakPolarHBondContact CD1-NE2 3.43Å; L599-G605 WeakPolarHBondContact O-CA 3.45Å; L599-L608 HydrophobicContact CB-CD2 4.27Å; L599-L608 HydrophobicContact CD2-CB 4.42Å; L599-L608 HydrophobicContact CD2-CD2 3.9Å; L599-L608 HydrophobicContact CG-CD2 4.3Å
600V97Very high95.2Very high1 Ų133.1 Ų33.11%0.00619%0.187CC..THydrogen-bonded Turntrans-60.2-26-178.6-68.40000112.8G596 E598 L602 L608 R609 L612 L725 L726 M729G596-V600 WeakPolarHBondContact O-CG1 3.48Å; G596-V600 WeakPolarHBondContact O-CG2 3.15Å; G596-V600 PolarHBondContact O-N 2.98Å; E598-V600 PolarHBondContact O-N 2.97Å; V600-L602 VanDerWaalsContact C-N 3.27Å; V600-L602 PolarHBondContact O-N 2.97Å; V600-L608 HydrophobicContact CG1-CB 4.47Å; V600-L608 HydrophobicContact CG1-CD2 3.78Å; V600-L608 HydrophobicContact CG1-CG 3.83Å; V600-R609 HydrophobicContact CB-CG 4Å; V600-R609 HydrophobicContact CG1-CG 4.06Å; V600-R609 WeakPolarHBondContact O-CD 3.4Å; V600-R609 PolarHBondContact O-NH1 3.31Å; V600-L612 HydrophobicContact CG1-CD1 3.93Å; V600-L725 HydrophobicContact CG2-CD2 4.26Å; V600-L726 HydrophobicContact CB-CD2 4.29Å; V600-L726 HydrophobicContact CG1-CD2 4.15Å; V600-M729 WeakPolarHBondContact O-CE 3.35Å
601T96.6Very high95.5Very high45 Ų4531 Ų3128%0.27618%0.176SC..THydrogen-bonded Turntrans-78.1-7.8176.671.20000113.9E598 L599 L725 M729 A756E598-T601 PolarHBondContact O-N 3.21Å; E598-T601 VanDerWaalsContact O-N 3.1Å; E598-T601 PolarHBondContact O-OG1 3.32Å; L599-T601 PolarHBondContact O-N 3.46Å; L599-T601 VanDerWaalsContact O-N 3.13Å; T601-L725 HydrophobicContact CG2-CD2 4.36Å; T601-M729 WeakPolarHBondContact O-CE 3.25Å; T601-A756 HydrophobicContact CG2-CB 4.06Å
602L95.7Very high95.7Very high54 Ų5431 Ų3128%0.28318%0.176SC..SBendtrans-104.7155.2-175.4-55.4-179.6000111.7V593 L599 V600 H604 G605 R609V593-L602 HydrophobicContact CG1-CD1 3.75Å; L599-L602 WeakPolarHBondContact O-CB 3.16Å; L599-L602 PolarHBondContact O-N 2.67Å; V600-L602 VanDerWaalsContact C-N 3.27Å; V600-L602 PolarHBondContact O-N 2.97Å; L602-H604 VanDerWaalsContact C-N 3.34Å; L602-H604 PolarHBondContact O-N 3.31Å; L602-G605 PolarHBondContact O-N 3.12Å; L602-R609 PolarHBondContact O-NH1 2.97Å
603P94Very high96Very high110 Ų11029.5 Ų29.571%0.71416%0.157SC*.G310 helixtrans-57.5-43.4-177.9-26.835.8000113.4G605 H606P603-G605 PolarHBondContact O-N 3.25Å; P603-H606 PolarHBondContact O-N 2.76Å
604H94.1Very high96.1Very high38 Ų3829.6 Ų29.618%0.17616%0.156CC..G310 helixtrans-73.6-5.3179.965.1-67.8000114.3I523 M591 L599 L602 H606I523-H604 HydrophobicContact CB-CB 4.46Å; I523-H604 HydrophobicContact CG1-CB 3.94Å; I523-H604 HydrophobicContact CG2-CB 4.42Å; M591-H604 PolarHBondContact O-NE2 3.31Å; L599-H604 WeakPolarHBondContact CD1-NE2 3.43Å; L602-H604 VanDerWaalsContact C-N 3.34Å; L602-H604 PolarHBondContact O-N 3.31Å; H604-H606 PolarHBondContact O-N 2.98Å
605G95.4Very high96.4Very high1 Ų125.3 Ų25.31%0.0113%0.133CC..G310 helixtrans-76.50.9170.700000115.3L599 L602 P603 Q607 L608 R609L599-G605 WeakPolarHBondContact O-CA 3.45Å; L602-G605 PolarHBondContact O-N 3.12Å; P603-G605 PolarHBondContact O-N 3.25Å; G605-Q607 VanDerWaalsContact C-N 3.35Å; G605-Q607 PolarHBondContact O-N 2.95Å; G605-L608 PolarHBondContact O-N 3.44Å; G605-L608 VanDerWaalsContact O-N 3.07Å; G605-R609 PolarHBondContact O-N 3.31Å
606H95.7Very high96.5Very high87 Ų8725.3 Ų25.340%0.40313%0.133SC..Hα-helixtrans-44-51.9179.117060.3000114.1P603 H604 L608 R609 Q610 E730P603-H606 PolarHBondContact O-N 2.76Å; H604-H606 PolarHBondContact O-N 2.98Å; H606-L608 PolarHBondContact O-N 2.75Å; H606-R609 VanDerWaalsContact CA-NH2 3.34Å; H606-R609 WeakPolarHBondContact O-CB 3.47Å; H606-R609 PolarHBondContact O-N 3.1Å; H606-R609 VanDerWaalsContact O-N 3.07Å; H606-Q610 PolarHBondContact O-N 3.28Å; H606-E730 IonicContact CE1-OE1 3.36Å; H606-E730 IonicContact CE1-OE2 3.79Å; H606-E730 PolarHBondContact CE1-OE2 2.83Å; H606-E730 IonicContact CG-OE1 3.63Å; H606-E730 IonicContact ND1-OE1 3.97Å; H606-E730 PolarHBondContact ND1-OE1 2.81Å; H606-E730 IonicContact ND1-OE2 2.63Å; H606-E730 PolarHBondContact ND1-OE2 3.3Å
607Q96.4Very high96.5Very high24 Ų2427.3 Ų27.311%0.11214%0.142CC..Hα-helixtrans-62.6-41.1-179-173.259.672.500112.4E524 S526 G605 R609 Q610 D611E524-Q607 HydrophobicContact CB-CB 3.85Å; E524-Q607 HydrophobicContact CB-CG 4.16Å; S526-Q607 VanDerWaalsContact C-OE1 3.3Å; S526-Q607 VanDerWaalsContact O-CG 3.28Å; S526-Q607 WeakPolarHBondContact O-CG 3.24Å; G605-Q607 VanDerWaalsContact C-N 3.35Å; G605-Q607 PolarHBondContact O-N 2.95Å; Q607-R609 VanDerWaalsContact C-N 3.3Å; Q607-R609 PolarHBondContact O-N 2.99Å; Q607-Q610 PolarHBondContact O-N 3.48Å; Q607-D611 PolarHBondContact NE2-OD1 3.35Å; Q607-D611 WeakPolarHBondContact O-CB 3.38Å; Q607-D611 PolarHBondContact O-N 3.45Å
608L97.1Very high96.6Very high1 Ų127.4 Ų27.41%0.00514%0.142CC..Hα-helixtrans-64.6-34.6175.217959.5000111.6V577 L599 V600 G605 H606 L612V577-L608 VanDerWaalsContact O-CD1 3.26Å; V577-L608 WeakPolarHBondContact O-CD1 3.28Å; L599-L608 HydrophobicContact CB-CD2 4.27Å; L599-L608 HydrophobicContact CD2-CB 4.42Å; L599-L608 HydrophobicContact CD2-CD2 3.9Å; L599-L608 HydrophobicContact CG-CD2 4.3Å; V600-L608 HydrophobicContact CG1-CB 4.47Å; V600-L608 HydrophobicContact CG1-CD2 3.78Å; V600-L608 HydrophobicContact CG1-CG 3.83Å; G605-L608 PolarHBondContact O-N 3.44Å; G605-L608 VanDerWaalsContact O-N 3.07Å; H606-L608 PolarHBondContact O-N 2.75Å; L608-L612 HydrophobicContact CD1-CD1 4.07Å; L608-L612 HydrophobicContact CD1-CG 4.13Å; L608-L612 HydrophobicContact CG-CD1 4.04Å; L608-L612 WeakPolarHBondContact O-CB 3.46Å; L608-L612 VanDerWaalsContact O-CG 3.26Å; L608-L612 WeakPolarHBondContact O-CG 3.45Å; L608-L612 PolarHBondContact O-N 3.1Å
609R97.5Very high96.6Very high10 Ų1025.4 Ų25.44%0.03813%0.134CC..Hα-helixtrans-65.8-46.1173.8-64.2-165.8-68.7-87.1-4.9111.8V600 L602 G605 H606 Q607 D611 L612 L613 L726 E730V600-R609 HydrophobicContact CB-CG 4Å; V600-R609 HydrophobicContact CG1-CG 4.06Å; V600-R609 WeakPolarHBondContact O-CD 3.4Å; V600-R609 PolarHBondContact O-NH1 3.31Å; L602-R609 PolarHBondContact O-NH1 2.97Å; G605-R609 PolarHBondContact O-N 3.31Å; H606-R609 VanDerWaalsContact CA-NH2 3.34Å; H606-R609 WeakPolarHBondContact O-CB 3.47Å; H606-R609 PolarHBondContact O-N 3.1Å; H606-R609 VanDerWaalsContact O-N 3.07Å; Q607-R609 VanDerWaalsContact C-N 3.3Å; Q607-R609 PolarHBondContact O-N 2.99Å; R609-D611 VanDerWaalsContact C-N 3.35Å; R609-D611 PolarHBondContact O-N 2.92Å; R609-L612 PolarHBondContact O-N 3.39Å; R609-L613 WeakPolarHBondContact O-CG 3.32Å; R609-L613 PolarHBondContact O-N 2.58Å; R609-L726 HydrophobicContact CB-CD2 3.91Å; R609-L726 HydrophobicContact CG-CD2 3.63Å; R609-E730 HydrophobicContact CB-CG 4.05Å; R609-E730 IonicContact CZ-OE1 3.47Å; R609-E730 IonicContact NE-OE1 2.74Å; R609-E730 PolarHBondContact NE-OE1 3.34Å; R609-E730 IonicContact NH2-OE1 2.69Å; R609-E730 PolarHBondContact NH2-OE1 2.85Å
610Q96.1Very high96.7Very high47 Ų4725.3 Ų25.322%0.2213%0.133CC..Hα-helixtrans-63.4-38.8176.9-75.9-63.7-21.800112.8H606 Q607 L613 E614 E730H606-Q610 PolarHBondContact O-N 3.28Å; Q607-Q610 PolarHBondContact O-N 3.48Å; Q610-L613 PolarHBondContact O-N 2.94Å; Q610-E614 WeakPolarHBondContact O-CB 3.45Å; Q610-E614 PolarHBondContact O-N 3.14Å; Q610-E730 WeakPolarHBondContact CG-OE2 3.45Å; Q610-E730 PolarHBondContact NE2-OE2 2.94Å
611D97.3Very high96.7Very high3 Ų325.5 Ų25.52%0.01613%0.134CC..Hα-helixtrans-65.2-42.4175.9-70.9-8.9000111.7S527 C528 F529 Q607 R609 R615S527-D611 WeakPolarHBondContact CA-OD1 3.39Å; S527-D611 WeakPolarHBondContact CB-OD1 3.25Å; S527-D611 VanDerWaalsContact OG-CG 3.29Å; S527-D611 PolarHBondContact OG-OD1 3.46Å; C528-D611 PolarHBondContact N-OD2 2.78Å; C528-D611 PolarHBondContact SG-OD2 2.89Å; F529-D611 HydrophobicContact CE2-CB 3.69Å; F529-D611 VanDerWaalsContact CE2-O 3.26Å; F529-D611 WeakPolarHBondContact CE2-O 3.3Å; F529-D611 HydrophobicContact CZ-CB 3.86Å; F529-D611 WeakPolarHBondContact CZ-O 3.43Å; Q607-D611 PolarHBondContact NE2-OD1 3.35Å; Q607-D611 WeakPolarHBondContact O-CB 3.38Å; Q607-D611 PolarHBondContact O-N 3.45Å; R609-D611 VanDerWaalsContact C-N 3.35Å; R609-D611 PolarHBondContact O-N 2.92Å; D611-R615 VanDerWaalsContact O-CB 3.31Å; D611-R615 WeakPolarHBondContact O-CB 3.35Å; D611-R615 PolarHBondContact O-N 2.92Å
612L98.1Very high96.7Very high1 Ų124.4 Ų24.41%0.00513%0.132CC..Hα-helixtrans-68.3-36.4175.2-72.3169.1000112.5V577 A578 V600 L608 R609 R615 H616 F659 L722 L726V577-L612 HydrophobicContact CG1-CD2 3.98Å; A578-L612 HydrophobicContact CB-CD1 4.5Å; A578-L612 HydrophobicContact CB-CD2 3.98Å; V600-L612 HydrophobicContact CG1-CD1 3.93Å; L608-L612 HydrophobicContact CD1-CD1 4.07Å; L608-L612 HydrophobicContact CD1-CG 4.13Å; L608-L612 HydrophobicContact CG-CD1 4.04Å; L608-L612 WeakPolarHBondContact O-CB 3.46Å; L608-L612 VanDerWaalsContact O-CG 3.26Å; L608-L612 WeakPolarHBondContact O-CG 3.45Å; L608-L612 PolarHBondContact O-N 3.1Å; R609-L612 PolarHBondContact O-N 3.39Å; L612-R615 PolarHBondContact O-N 3.17Å; L612-H616 WeakPolarHBondContact O-CB 3.4Å; L612-H616 PolarHBondContact O-N 2.89Å; L612-F659 HydrophobicContact CB-CE2 4.34Å; L612-F659 HydrophobicContact CB-CZ 4.47Å; L612-F659 HydrophobicContact CD2-CE2 4.41Å; L612-F659 HydrophobicContact CD2-CZ 4.12Å; L612-F659 WeakPolarHBondContact O-CZ 3.33Å; L612-L722 HydrophobicContact CD1-CD1 4.13Å; L612-L726 HydrophobicContact CB-CD1 3.57Å; L612-L726 HydrophobicContact CD1-CD1 4.37Å; L612-L726 HydrophobicContact CD1-CD2 4.39Å
613L97.1Very high96.8Very high17 Ų1722.6 Ų22.69%0.08912%0.123CC..Hα-helixtrans-66.8-43174.2-74170.1000112.3R609 Q610 H616 H617 L726 M727 E730R609-L613 WeakPolarHBondContact O-CG 3.32Å; R609-L613 PolarHBondContact O-N 2.58Å; Q610-L613 PolarHBondContact O-N 2.94Å; L613-H616 PolarHBondContact O-N 2.67Å; L613-H617 PolarHBondContact O-N 2.64Å; L613-H617 VanDerWaalsContact O-N 3.09Å; L613-L726 HydrophobicContact CD1-CB 4.2Å; L613-L726 HydrophobicContact CD2-CB 3.72Å; L613-L726 HydrophobicContact CD2-CD1 4.35Å; L613-L726 HydrophobicContact CG-CB 3.83Å; L613-L726 HydrophobicContact CG-CD1 4.33Å; L613-M727 HydrophobicContact CD2-CG 3.92Å; L613-E730 HydrophobicContact CD1-CB 4.47Å; L613-E730 HydrophobicContact CD1-CG 4.13Å
614E96.4Very high96.9Very high15 Ų1517.4 Ų17.47%0.079%0.09CC..Hα-helixtrans-59.4-50.1172.9179.874.2-120.300110F529 Q610 H616 H617 L618 K802 R805 Y806F529-E614 HydrophobicContact CE2-CB 4.44Å; F529-E614 HydrophobicContact CE2-CG 4.47Å; Q610-E614 WeakPolarHBondContact O-CB 3.45Å; Q610-E614 PolarHBondContact O-N 3.14Å; E614-H616 PolarHBondContact O-N 3.37Å; E614-H617 PolarHBondContact O-N 3.29Å; E614-L618 HydrophobicContact CG-CD1 3.78Å; E614-L618 WeakPolarHBondContact O-CD1 3.48Å; E614-L618 WeakPolarHBondContact O-CG 3.49Å; E614-L618 PolarHBondContact O-N 2.92Å; E614-K802 WeakPolarHBondContact OE2-CD 3.43Å; E614-K802 WeakPolarHBondContact OE2-CG 3.27Å; E614-R805 IonicContact OE1-CZ 2.67Å; E614-R805 IonicContact OE1-NH1 3.87Å; E614-R805 PolarHBondContact OE1-NH1 3.27Å; E614-R805 IonicContact OE1-NH2 2.89Å; E614-R805 PolarHBondContact OE1-NH2 3.13Å; E614-R805 IonicContact OE2-CZ 2.79Å; E614-R805 IonicContact OE2-NH1 3.2Å; E614-R805 IonicContact OE2-NH2 2.98Å; E614-R805 PolarHBondContact OE2-NH2 3.42Å; E614-Y806 WeakPolarHBondContact OE1-CE1 3.27Å; E614-Y806 PolarHBondContact OE1-OH 3.47Å; E614-Y806 PolarHBondContact OE2-OH 3.06Å
615R97.8Very high97Very high4 Ų416.4 Ų16.42%0.0159%0.086CC..Hα-helixtrans-58.5-44.1177.4-179.3170.2176.270.412.6113.1F529 D574 D611 L612 H617 L618 I619 F659 F783 T785F529-R615 HydrophobicContact CZ-CB 4.21Å; D574-R615 IonicContact OD1-CZ 2.86Å; D574-R615 IonicContact OD1-NE 3.21Å; D574-R615 PolarHBondContact OD1-NE 3.25Å; D574-R615 IonicContact OD1-NH2 2.75Å; D574-R615 PolarHBondContact OD1-NH2 3.42Å; D574-R615 IonicContact OD2-NH2 2.82Å; D611-R615 VanDerWaalsContact O-CB 3.31Å; D611-R615 WeakPolarHBondContact O-CB 3.35Å; D611-R615 PolarHBondContact O-N 2.92Å; L612-R615 PolarHBondContact O-N 3.17Å; R615-H617 PolarHBondContact O-N 3.4Å; R615-L618 PolarHBondContact O-N 2.95Å; R615-I619 HydrophobicContact CG-CD1 4.07Å; R615-I619 WeakPolarHBondContact O-CG1 3.25Å; R615-I619 PolarHBondContact O-N 3.09Å; R615-F659 HydrophobicContact CG-CE1 4.4Å; R615-F659 HydrophobicContact CG-CZ 4.48Å; R615-F783 PolarHBondContact NH1-O 3.41Å; R615-F783 PolarHBondContact NH2-O 3.48Å; R615-T785 HydrophobicContact CB-CG2 3.99Å; R615-T785 HydrophobicContact CG-CG2 4.36Å; R615-T785 PolarHBondContact NH1-OG1 3.46Å
616H98.1Very high97Very high4 Ų417.8 Ų17.82%0.0199%0.093CC..Hα-helixtrans-58.9-46.7177.4-173.2-90.1000112L612 L613 E614 L618 I619 T620 F659 S662 A663 V723L612-H616 WeakPolarHBondContact O-CB 3.4Å; L612-H616 PolarHBondContact O-N 2.89Å; L613-H616 PolarHBondContact O-N 2.67Å; E614-H616 PolarHBondContact O-N 3.37Å; H616-L618 VanDerWaalsContact C-N 3.34Å; H616-L618 PolarHBondContact O-N 3.26Å; H616-I619 PolarHBondContact O-N 2.88Å; H616-T620 PolarHBondContact O-N 2.89Å; H616-T620 PolarHBondContact O-OG1 3.21Å; H616-F659 HydrophobicContact CB-CE2 3.95Å; H616-F659 HydrophobicContact CB-CZ 3.89Å; H616-F659 AromaticContact CD2-CE2 3.94Å; H616-S662 PolarHBondContact NE2-OG 3.29Å; H616-A663 VanDerWaalsContact NE2-CA 3.34Å; H616-A663 WeakPolarHBondContact NE2-CA 3.38Å; H616-A663 PolarHBondContact NE2-N 2.92Å; H616-A663 VanDerWaalsContact NE2-N 3.15Å; H616-V723 WeakPolarHBondContact CD2-CG2 3.32Å; H616-V723 WeakPolarHBondContact NE2-CG2 3.45Å
617H97Very high97Very high44 Ų4413.7 Ų13.720%0.2047%0.074CC..Hα-helixtrans-65.1-38177.4-166.580.6000111.5L613 E614 R615 T620 L621 Y806L613-H617 PolarHBondContact O-N 2.64Å; L613-H617 VanDerWaalsContact O-N 3.09Å; E614-H617 PolarHBondContact O-N 3.29Å; R615-H617 PolarHBondContact O-N 3.4Å; H617-T620 CarbonylContact O-C 3.29Å; H617-T620 WeakPolarHBondContact O-CA 3.43Å; H617-T620 VanDerWaalsContact O-CB 3.25Å; H617-T620 WeakPolarHBondContact O-CB 3.44Å; H617-T620 PolarHBondContact O-N 3.31Å; H617-L621 WeakPolarHBondContact O-CG 3.49Å; H617-L621 PolarHBondContact O-N 2.68Å; H617-Y806 HydrophobicContact CB-CE2 4.08Å; H617-Y806 AromaticContact CD2-CD1 3.71Å; H617-Y806 AromaticContact CD2-CD2 3.68Å; H617-Y806 AromaticContact CD2-CE1 3.48Å; H617-Y806 VanDerWaalsContact CD2-CE1 3.48Å; H617-Y806 WeakPolarHBondContact CD2-CE1 3.47Å; H617-Y806 AromaticContact CD2-CE2 3.43Å; H617-Y806 VanDerWaalsContact CD2-CE2 3.43Å; H617-Y806 WeakPolarHBondContact CD2-CE2 3.44Å; H617-Y806 AromaticContact CD2-CG 3.82Å; H617-Y806 AromaticContact CD2-CZ 3.34Å; H617-Y806 AromaticContact CG-CE2 3.63Å; H617-Y806 AromaticContact CG-CZ 3.75Å; H617-Y806 AromaticContact NE2-CD1 3.88Å; H617-Y806 AromaticContact NE2-CD2 3.66Å; H617-Y806 AromaticContact NE2-CE2 3.91Å; H617-Y806 AromaticContact NE2-CG 3.64Å
618L97.1Very high96.9Very high4 Ų412.6 Ų12.62%0.0217%0.069CC..Hα-helixtrans-68.6-36.9179.4-67.8165.5000113.5E614 R615 H616 T620 L621 G622 T785 A788 L789 F792 W793E614-L618 HydrophobicContact CG-CD1 3.78Å; E614-L618 WeakPolarHBondContact O-CD1 3.48Å; E614-L618 WeakPolarHBondContact O-CG 3.49Å; E614-L618 PolarHBondContact O-N 2.92Å; R615-L618 PolarHBondContact O-N 2.95Å; H616-L618 VanDerWaalsContact C-N 3.34Å; H616-L618 PolarHBondContact O-N 3.26Å; L618-T620 VanDerWaalsContact C-N 3.33Å; L618-L621 PolarHBondContact O-N 2.83Å; L618-G622 PolarHBondContact O-N 3.45Å; L618-T785 HydrophobicContact CD1-CG2 3.31Å; L618-A788 HydrophobicContact CB-CB 4.17Å; L618-L789 HydrophobicContact CD1-CD1 4.32Å; L618-L789 HydrophobicContact CD1-CD2 3.89Å; L618-L789 HydrophobicContact CD1-CG 3.68Å; L618-L789 HydrophobicContact CD2-CD2 4.25Å; L618-L789 HydrophobicContact CD2-CG 4.49Å; L618-F792 HydrophobicContact CD2-CD2 3.79Å; L618-F792 HydrophobicContact CD2-CE2 3.98Å; L618-W793 HydrophobicContact CD2-CH2 3.54Å; L618-W793 HydrophobicContact CD2-CZ3 3.39Å
619I97.9Very high96.6Very high20 Ų2014.4 Ų14.410%0.1039%0.088CC..Hα-helixtrans-64.3-42.4170.7-64.8166.1000109.8M570 R615 H616 L621 G622 V623 F659 A663M570-I619 HydrophobicContact CE-CD1 4.46Å; M570-I619 HydrophobicContact CE-CG2 3.58Å; R615-I619 HydrophobicContact CG-CD1 4.07Å; R615-I619 WeakPolarHBondContact O-CG1 3.25Å; R615-I619 PolarHBondContact O-N 3.09Å; H616-I619 PolarHBondContact O-N 2.88Å; I619-L621 PolarHBondContact O-N 3.05Å; I619-G622 PolarHBondContact O-N 2.59Å; I619-V623 WeakPolarHBondContact O-CG2 3.34Å; I619-V623 PolarHBondContact O-N 3.26Å; I619-V623 VanDerWaalsContact O-N 3.12Å; I619-F659 HydrophobicContact CD1-CE1 4.44Å; I619-A663 HydrophobicContact CB-CB 3.81Å; I619-A663 HydrophobicContact CG2-CB 3.53Å
620T98.1Very high96.2Very high2 Ų214.2 Ų14.21%0.0129%0.088CC..Hα-helixtrans-57.1-50.4175.2-54.80000111.2H616 H617 L618 A624 A663 K666 A667 M670H616-T620 PolarHBondContact O-N 2.89Å; H616-T620 PolarHBondContact O-OG1 3.21Å; H617-T620 CarbonylContact O-C 3.29Å; H617-T620 WeakPolarHBondContact O-CA 3.43Å; H617-T620 VanDerWaalsContact O-CB 3.25Å; H617-T620 WeakPolarHBondContact O-CB 3.44Å; H617-T620 PolarHBondContact O-N 3.31Å; L618-T620 VanDerWaalsContact C-N 3.33Å; T620-A624 PolarHBondContact O-N 3.48Å; T620-A663 PolarHBondContact OG1-O 2.66Å; T620-K666 HydrophobicContact CG2-CB 4.06Å; T620-K666 HydrophobicContact CG2-CD 4.27Å; T620-K666 HydrophobicContact CG2-CG 3.88Å; T620-A667 HydrophobicContact CG2-CB 4.01Å; T620-A667 VanDerWaalsContact O-CB 3.3Å; T620-A667 WeakPolarHBondContact O-CB 3.45Å; T620-M670 HydrophobicContact CG2-CG 4.42Å; T620-M670 HydrophobicContact CG2-SD 3.89Å
621L97.1Very high95.7Very high4 Ų417.8 Ų17.82%0.02111%0.113CC..Hα-helixtrans-64-41.3177.5-67.8-175.6000112.3H617 L618 I619 V623 A624 V625 M670 F792 W793 F809 L813H617-L621 WeakPolarHBondContact O-CG 3.49Å; H617-L621 PolarHBondContact O-N 2.68Å; L618-L621 PolarHBondContact O-N 2.83Å; I619-L621 PolarHBondContact O-N 3.05Å; L621-V623 PolarHBondContact O-N 2.99Å; L621-A624 PolarHBondContact O-N 3.28Å; L621-V625 WeakPolarHBondContact O-CB 3.44Å; L621-V625 WeakPolarHBondContact O-CG2 3.44Å; L621-V625 PolarHBondContact O-N 3.06Å; L621-M670 HydrophobicContact CD2-CE 4.39Å; L621-F792 HydrophobicContact CB-CD2 4.4Å; L621-F792 HydrophobicContact CB-CE2 3.96Å; L621-F792 HydrophobicContact CD1-CD2 4.5Å; L621-W793 HydrophobicContact CD1-CH2 3.78Å; L621-W793 HydrophobicContact CD1-CZ2 3.99Å; L621-F809 HydrophobicContact CB-CE1 4.2Å; L621-F809 HydrophobicContact CD1-CD1 3.8Å; L621-F809 HydrophobicContact CD1-CE1 4.15Å; L621-F809 HydrophobicContact CD1-CG 4.34Å; L621-F809 HydrophobicContact CD2-CD1 3.85Å; L621-F809 HydrophobicContact CD2-CE1 4.22Å; L621-F809 HydrophobicContact CG-CD1 4.28Å; L621-F809 HydrophobicContact CG-CE1 4.42Å; L621-L813 HydrophobicContact CD2-CD1 3.8Å
622G96.4Very high95.2Very high23 Ų2319.7 Ų19.724%0.23713%0.133CC..Hα-helixtrans-61.1-41.9-18000000113.3L618 I619 V625 D626L618-G622 PolarHBondContact O-N 3.45Å; I619-G622 PolarHBondContact O-N 2.59Å; G622-V625 PolarHBondContact O-N 3.49Å; G622-D626 PolarHBondContact O-N 3.17Å
623V97.4Very high95Very high16 Ų1623.3 Ų23.310%0.09716%0.156CC..Hα-helixtrans-64.4-44.2174.2172.20000111.1I619 L621 V625 D626 I627 V644 V664 A667I619-V623 WeakPolarHBondContact O-CG2 3.34Å; I619-V623 PolarHBondContact O-N 3.26Å; I619-V623 VanDerWaalsContact O-N 3.12Å; L621-V623 PolarHBondContact O-N 2.99Å; V623-V625 VanDerWaalsContact C-N 3.33Å; V623-V625 PolarHBondContact O-N 2.69Å; V623-D626 PolarHBondContact O-N 3.02Å; V623-I627 HydrophobicContact CG1-CD1 4.03Å; V623-I627 WeakPolarHBondContact O-CG1 3.47Å; V623-I627 PolarHBondContact O-N 3.39Å; V623-V644 HydrophobicContact CG1-CB 4.45Å; V623-V644 HydrophobicContact CG1-CG1 3.45Å; V623-V644 VanDerWaalsContact CG1-CG1 3.45Å; V623-V644 HydrophobicContact CG1-CG2 4.09Å; V623-V664 HydrophobicContact CG2-CG2 4.22Å; V623-A667 HydrophobicContact CB-CB 3.61Å; V623-A667 HydrophobicContact CG1-CB 3.53Å
624A97Very high94.9Very high1 Ų124.8 Ų24.81%0.00817%0.165CC..Hα-helixtrans-63.1-38.5175.900000112.4T620 L621 I627 L628 M670 I673 L813T620-A624 PolarHBondContact O-N 3.48Å; L621-A624 PolarHBondContact O-N 3.28Å; A624-I627 PolarHBondContact O-N 2.87Å; A624-L628 VanDerWaalsContact O-CB 3.26Å; A624-L628 WeakPolarHBondContact O-CB 3.41Å; A624-L628 WeakPolarHBondContact O-CG 3.3Å; A624-L628 PolarHBondContact O-N 3.11Å; A624-M670 HydrophobicContact CB-CE 4.48Å; A624-M670 HydrophobicContact CB-SD 3.74Å; A624-I673 HydrophobicContact CB-CD1 4.19Å; A624-I673 HydrophobicContact CB-CG1 4.27Å; A624-L813 HydrophobicContact CB-CD1 4.23Å
625V96.3Very high94.8Very high16 Ų1628.6 Ų28.610%0.09719%0.186CC..Hα-helixtrans-67.5-36.8176.5169.50000112.1L546 L551 L621 G622 V623 G629 F792 F809 L813L546-V625 HydrophobicContact CD2-CG1 4.28Å; L551-V625 HydrophobicContact CD2-CG1 4.09Å; L621-V625 WeakPolarHBondContact O-CB 3.44Å; L621-V625 WeakPolarHBondContact O-CG2 3.44Å; L621-V625 PolarHBondContact O-N 3.06Å; G622-V625 PolarHBondContact O-N 3.49Å; V623-V625 VanDerWaalsContact C-N 3.33Å; V623-V625 PolarHBondContact O-N 2.69Å; V625-G629 VanDerWaalsContact O-CA 3.3Å; V625-G629 WeakPolarHBondContact O-CA 3.46Å; V625-G629 PolarHBondContact O-N 3.33Å; V625-F792 HydrophobicContact CG2-CE1 4.34Å; V625-F809 HydrophobicContact CG2-CE1 3.58Å; V625-F809 HydrophobicContact CG2-CZ 3.54Å; V625-L813 HydrophobicContact CG2-CD2 3.94Å
626D95Very high94.7Very high31 Ų3133.8 Ų33.817%0.16621%0.21CC..Hα-helixtrans-67.8-42.4176.1-171.337.9000111.6K555 G622 V623 C630 V640K555-D626 PolarHBondContact NZ-O 2.84Å; K555-D626 IonicContact NZ-OD1 3.98Å; K555-D626 PolarHBondContact NZ-OD1 2.98Å; G622-D626 PolarHBondContact O-N 3.17Å; V623-D626 PolarHBondContact O-N 3.02Å; D626-C630 PolarHBondContact O-N 3.23Å; D626-C630 PolarHBondContact O-SG 3.15Å; D626-V640 WeakPolarHBondContact OD2-CG1 3.32Å
627I95.9Very high94.6Very high1 Ų133.8 Ų33.81%0.00521%0.21CC..Hα-helixtrans-66.1-49.5176.4-62.3164.6000111V623 A624 G629 C630 R637 V640 L641 V644 L668 I673 L676V623-I627 HydrophobicContact CG1-CD1 4.03Å; V623-I627 WeakPolarHBondContact O-CG1 3.47Å; V623-I627 PolarHBondContact O-N 3.39Å; A624-I627 PolarHBondContact O-N 2.87Å; I627-G629 VanDerWaalsContact C-N 3.33Å; I627-C630 WeakPolarHBondContact O-CB 3.2Å; I627-C630 PolarHBondContact O-N 2.52Å; I627-C630 VanDerWaalsContact O-N 3.13Å; I627-R637 HydrophobicContact CG2-CG 4.2Å; I627-R637 WeakPolarHBondContact O-CD 3.22Å; I627-V640 HydrophobicContact CG1-CG1 4.18Å; I627-L641 HydrophobicContact CD1-CD1 4.03Å; I627-V644 HydrophobicContact CD1-CG2 4.31Å; I627-V644 HydrophobicContact CG1-CG2 4.32Å; I627-L668 HydrophobicContact CD1-CD2 4.33Å; I627-I673 HydrophobicContact CB-CD1 4.12Å; I627-I673 HydrophobicContact CD1-CD1 4.46Å; I627-I673 HydrophobicContact CD1-CG2 4.22Å; I627-I673 HydrophobicContact CG2-CD1 3.98Å; I627-L676 HydrophobicContact CG2-CD1 4.1Å
628L95.1Very high94.5Very high0 Ų031.7 Ų31.70%020%0.201CC..Hα-helixtrans-76.5-19.3-179.2-66.6171.8000113.2A624 C630 Q672 I673 L676 L813 L816 L820A624-L628 VanDerWaalsContact O-CB 3.26Å; A624-L628 WeakPolarHBondContact O-CB 3.41Å; A624-L628 WeakPolarHBondContact O-CG 3.3Å; A624-L628 PolarHBondContact O-N 3.11Å; L628-C630 PolarHBondContact O-N 3.46Å; L628-Q672 HydrophobicContact CD1-CB 4.26Å; L628-I673 HydrophobicContact CD1-CD1 3.83Å; L628-I673 HydrophobicContact CD2-CD1 4.07Å; L628-I673 HydrophobicContact CG-CD1 3.63Å; L628-L676 HydrophobicContact CD2-CD1 3.94Å; L628-L676 HydrophobicContact CD2-CD2 4.43Å; L628-L813 HydrophobicContact CD1-CB 4.02Å; L628-L813 HydrophobicContact CD1-CD2 3.9Å; L628-L813 HydrophobicContact CD1-CG 4.48Å; L628-L816 HydrophobicContact CB-CB 4.13Å; L628-L816 HydrophobicContact CB-CD1 4.47Å; L628-L820 HydrophobicContact CB-CD1 4.48Å; L628-L820 HydrophobicContact CD2-CD1 3.93Å; L628-L820 WeakPolarHBondContact O-CD1 3.39Å
629G90.9Very high94.5Very high39 Ų3934.9 Ų34.940%0.40222%0.216SC..THydrogen-bonded Turntrans-74.7-4.8167.100000113.6V625 I627 T631V625-G629 VanDerWaalsContact O-CA 3.3Å; V625-G629 WeakPolarHBondContact O-CA 3.46Å; V625-G629 PolarHBondContact O-N 3.33Å; I627-G629 VanDerWaalsContact C-N 3.33Å; G629-T631 VanDerWaalsContact C-N 3.26Å; G629-T631 PolarHBondContact O-N 2.88Å
630C89.3Confident94.4Very high7 Ų735 Ų355%0.04722%0.218CC..  trans-78.972.1172.2-62.80000111.9K555 D626 I627 L628 G632 R637 V640K555-C630 PolarHBondContact NZ-SG 2.87Å; D626-C630 PolarHBondContact O-N 3.23Å; D626-C630 PolarHBondContact O-SG 3.15Å; I627-C630 WeakPolarHBondContact O-CB 3.2Å; I627-C630 PolarHBondContact O-N 2.52Å; I627-C630 VanDerWaalsContact O-N 3.13Å; L628-C630 PolarHBondContact O-N 3.46Å; C630-G632 PolarHBondContact O-N 2.9Å; C630-R637 HydrophobicContact CB-CB 3.6Å; C630-R637 HydrophobicContact CB-CG 3.63Å; C630-R637 PolarHBondContact O-NH1 3.41Å; C630-R637 VanDerWaalsContact O-NH1 3.14Å; C630-V640 VanDerWaalsContact SG-CG2 3.54Å
631T84.3Confident94.3Very high122 Ų12235 Ų3575%0.74822%0.218SC*.  trans-72.75.1171.8590000114.1G629 L820G629-T631 VanDerWaalsContact C-N 3.26Å; G629-T631 PolarHBondContact O-N 2.88Å; T631-L820 HydrophobicContact CG2-CD2 4.41Å
632G87.1Confident94.3Very high42 Ų4236.4 Ų36.443%0.43322%0.224SC..SBendtrans-78.4-159.8170.400000113.2C630C630-G632 PolarHBondContact O-N 2.9Å
633T93.5Very high94.3Very high78 Ų7838.7 Ų38.748%0.47923%0.228SC..  trans-65154.217863.50000112.4N635 Q636 R637T633-N635 PolarHBondContact O-N 2.98Å; T633-Q636 WeakPolarHBondContact O-CB 3.24Å; T633-Q636 PolarHBondContact O-N 3.17Å; T633-Q636 WeakPolarHBondContact OG1-CG 3.44Å; T633-Q636 PolarHBondContact OG1-N 2.93Å; T633-Q636 PolarHBondContact OG1-OE1 3.34Å; T633-R637 PolarHBondContact O-N 3.22Å
634V95.6Very high94.4Very high47 Ų4738.4 Ų38.429%0.28523%0.226SC..Hα-helixtrans-54-35.9173.9-1750000111.7R637 A638 M678 A682V634-R637 PolarHBondContact O-N 3.31Å; V634-A638 VanDerWaalsContact O-CB 3.31Å; V634-A638 WeakPolarHBondContact O-CB 3.21Å; V634-A638 PolarHBondContact O-N 3.37Å; V634-M678 VanDerWaalsContact CG1-C 3.46Å; V634-M678 HydrophobicContact CG1-CB 3.92Å; V634-M678 WeakPolarHBondContact CG1-O 3.15Å; V634-M678 HydrophobicContact CG2-CB 4.43Å; V634-A682 HydrophobicContact CG1-CB 3.96Å
635N94.8Very high94.4Very high95 Ų9538.3 Ų38.351%0.50823%0.225SC..Hα-helixtrans-66.5-38.8175.6-74.4-22.6000112.9T633 A638 M639 N686T633-N635 PolarHBondContact O-N 2.98Å; N635-A638 PolarHBondContact O-N 3.25Å; N635-M639 PolarHBondContact O-N 3.27Å; N635-N686 PolarHBondContact OD1-ND2 3.2Å; N635-N686 VanDerWaalsContact OD1-ND2 3.12Å
636Q94.6Very high94.5Very high113 Ų11340.2 Ų40.253%0.52824%0.235SC..Hα-helixtrans-67.2-40.8174.7-74.1161.5-52.100111.3T633 M639 V640T633-Q636 WeakPolarHBondContact O-CB 3.24Å; T633-Q636 PolarHBondContact O-N 3.17Å; T633-Q636 WeakPolarHBondContact OG1-CG 3.44Å; T633-Q636 PolarHBondContact OG1-N 2.93Å; T633-Q636 PolarHBondContact OG1-OE1 3.34Å; Q636-M639 PolarHBondContact O-N 3.16Å; Q636-V640 PolarHBondContact O-N 3.36Å; Q636-V640 VanDerWaalsContact O-N 3.09Å
637R95.6Very high94.7Very high4 Ų439.6 Ų39.62%0.01523%0.231CC..Hα-helixtrans-65.2-39.7174.4-172.6163.760.2-114.38.3112.3I627 C630 T633 V634 M639 V640 L641 T679 E821I627-R637 HydrophobicContact CG2-CG 4.2Å; I627-R637 WeakPolarHBondContact O-CD 3.22Å; C630-R637 HydrophobicContact CB-CB 3.6Å; C630-R637 HydrophobicContact CB-CG 3.63Å; C630-R637 PolarHBondContact O-NH1 3.41Å; C630-R637 VanDerWaalsContact O-NH1 3.14Å; T633-R637 PolarHBondContact O-N 3.22Å; V634-R637 PolarHBondContact O-N 3.31Å; R637-M639 VanDerWaalsContact C-N 3.28Å; R637-M639 PolarHBondContact O-N 2.96Å; R637-V640 PolarHBondContact O-N 3.49Å; R637-L641 PolarHBondContact O-N 3.05Å; R637-T679 HydrophobicContact CB-CG2 4.34Å; R637-T679 HydrophobicContact CG-CG2 3.88Å; R637-T679 PolarHBondContact NE-OG1 3.02Å; R637-T679 PolarHBondContact NH2-OG1 3.04Å; R637-E821 IonicContact CZ-OE1 2.77Å; R637-E821 IonicContact NE-OE1 3.62Å; R637-E821 IonicContact NH2-OE1 3.43Å; R637-E821 PolarHBondContact NH2-OE1 2.91Å
638A96.7Very high94.8Very high0 Ų039.6 Ų39.60%023%0.231CC..Hα-helixtrans-65.6-28.8173.600000112.9V634 N635 H642 T679 A682 L683V634-A638 VanDerWaalsContact O-CB 3.31Å; V634-A638 WeakPolarHBondContact O-CB 3.21Å; V634-A638 PolarHBondContact O-N 3.37Å; N635-A638 PolarHBondContact O-N 3.25Å; A638-H642 VanDerWaalsContact O-CB 3.29Å; A638-H642 WeakPolarHBondContact O-CB 3.43Å; A638-H642 PolarHBondContact O-N 3.35Å; A638-T679 HydrophobicContact CB-CG2 4.18Å; A638-A682 HydrophobicContact CB-CB 3.84Å; A638-L683 HydrophobicContact CB-CB 4.49Å
639M95.5Very high94.9Very high72 Ų7241.9 Ų41.936%0.35524%0.242SC..Hα-helixtrans-73.2-35.2172.3176.24852.900112.6N635 Q636 R637 H642 K643 H687N635-M639 PolarHBondContact O-N 3.27Å; Q636-M639 PolarHBondContact O-N 3.16Å; R637-M639 VanDerWaalsContact C-N 3.28Å; R637-M639 PolarHBondContact O-N 2.96Å; M639-H642 HydrophobicContact CE-CB 4.48Å; M639-H642 WeakPolarHBondContact O-CB 3.45Å; M639-H642 PolarHBondContact O-N 3.21Å; M639-H642 HydrophobicContact SD-CB 4.43Å; M639-K643 PolarHBondContact O-N 3.25Å; M639-K643 HydrophobicContact SD-CG 4.47Å; M639-H687 WeakPolarHBondContact CE-CE1 3.34Å; M639-H687 WeakPolarHBondContact CE-NE2 3.49Å
640V95.9Very high95.2Very high22 Ų2240.2 Ų40.213%0.13322%0.224CC..Hα-helixtrans-65.9-45.6169.6169.90000110.6D626 I627 C630 Q636 R637 H642 K643 V644D626-V640 WeakPolarHBondContact OD2-CG1 3.32Å; I627-V640 HydrophobicContact CG1-CG1 4.18Å; C630-V640 VanDerWaalsContact SG-CG2 3.54Å; Q636-V640 PolarHBondContact O-N 3.36Å; Q636-V640 VanDerWaalsContact O-N 3.09Å; R637-V640 PolarHBondContact O-N 3.49Å; V640-H642 VanDerWaalsContact C-N 3.3Å; V640-H642 PolarHBondContact O-N 3.41Å; V640-K643 WeakPolarHBondContact O-CB 3.47Å; V640-K643 PolarHBondContact O-N 3.2Å; V640-V644 HydrophobicContact CG1-CG2 4.46Å; V640-V644 WeakPolarHBondContact O-CG2 3.44Å; V640-V644 PolarHBondContact O-N 2.99Å
641L97Very high95.6Very high1 Ų139.9 Ų39.91%0.00522%0.222CC..Hα-helixtrans-56.9-42173.9-175.563.4000112.5I627 R637 V644 I645 L668 T679 W680 L683I627-L641 HydrophobicContact CD1-CD1 4.03Å; R637-L641 PolarHBondContact O-N 3.05Å; L641-V644 PolarHBondContact O-N 3.17Å; L641-I645 HydrophobicContact CG-CD1 4.31Å; L641-I645 WeakPolarHBondContact O-CG1 3.35Å; L641-I645 PolarHBondContact O-N 3.08Å; L641-L668 HydrophobicContact CD1-CD2 3.41Å; L641-L668 VanDerWaalsContact CD1-CD2 3.41Å; L641-T679 HydrophobicContact CB-CG2 4.44Å; L641-T679 HydrophobicContact CD2-CG2 3.78Å; L641-W680 HydrophobicContact CD1-CH2 3.96Å; L641-W680 HydrophobicContact CD1-CZ2 4.04Å; L641-W680 HydrophobicContact CD1-CZ3 4.47Å; L641-W680 HydrophobicContact CD2-CD2 3.82Å; L641-W680 HydrophobicContact CD2-CE3 3.82Å; L641-W680 HydrophobicContact CD2-CG 4.45Å; L641-W680 HydrophobicContact CD2-CH2 4.15Å; L641-W680 HydrophobicContact CD2-CZ2 4.16Å; L641-W680 HydrophobicContact CD2-CZ3 3.98Å; L641-W680 HydrophobicContact CG-CH2 4.43Å; L641-W680 HydrophobicContact CG-CZ3 4.46Å; L641-L683 HydrophobicContact CD2-CB 4.33Å; L641-L683 HydrophobicContact CD2-CD2 3.96Å; L641-L683 HydrophobicContact CG-CD2 4.21Å
642H97.3Very high96.1Very high34 Ų3435.9 Ų35.916%0.15719%0.194CC..Hα-helixtrans-58.6-46.9172.2170.9-103.7000112.2A638 M639 V640 V644 I645 L646 L683 H687 C690A638-H642 VanDerWaalsContact O-CB 3.29Å; A638-H642 WeakPolarHBondContact O-CB 3.43Å; A638-H642 PolarHBondContact O-N 3.35Å; M639-H642 HydrophobicContact CE-CB 4.48Å; M639-H642 WeakPolarHBondContact O-CB 3.45Å; M639-H642 PolarHBondContact O-N 3.21Å; M639-H642 HydrophobicContact SD-CB 4.43Å; V640-H642 VanDerWaalsContact C-N 3.3Å; V640-H642 PolarHBondContact O-N 3.41Å; H642-V644 PolarHBondContact O-N 3.14Å; H642-I645 PolarHBondContact O-N 2.9Å; H642-L646 WeakPolarHBondContact O-CG 3.41Å; H642-L646 PolarHBondContact O-N 2.93Å; H642-L683 HydrophobicContact CB-CD1 3.72Å; H642-H687 AromaticContact CD2-CG 3.45Å; H642-H687 VanDerWaalsContact CD2-CG 3.45Å; H642-H687 AromaticContact CD2-ND1 3.76Å; H642-H687 AromaticContact CG-CG 3.96Å; H642-H687 AromaticContact NE2-CG 3.86Å; H642-H687 AromaticContact NE2-ND1 3.67Å; H642-C690 PolarHBondContact CD2-SG 2.58Å
643K96.8Very high96.5Very high71 Ų7136.4 Ų36.431%0.30919%0.186SC..Hα-helixtrans-61.8-40.2175.3-81.2-168.1161.3-155.80112.8F558 S559 M639 V640 L646 L647F558-K643 PolarHBondContact O-NZ 3.05Å; F558-K643 VanDerWaalsContact O-NZ 3.14Å; S559-K643 VanDerWaalsContact C-NZ 3.34Å; S559-K643 PolarHBondContact O-NZ 3.16Å; M639-K643 PolarHBondContact O-N 3.25Å; M639-K643 HydrophobicContact SD-CG 4.47Å; V640-K643 WeakPolarHBondContact O-CB 3.47Å; V640-K643 PolarHBondContact O-N 3.2Å; K643-L646 PolarHBondContact O-N 2.82Å; K643-L647 PolarHBondContact O-N 3.36Å
644V97.9Very high96.4Very high10 Ų1037.3 Ų37.36%0.06118%0.184CC..Hα-helixtrans-63-41.1177.11720000111.5V623 I627 V640 L641 H642 L647 A648 V664 L668V623-V644 HydrophobicContact CG1-CB 4.45Å; V623-V644 HydrophobicContact CG1-CG1 3.45Å; V623-V644 VanDerWaalsContact CG1-CG1 3.45Å; V623-V644 HydrophobicContact CG1-CG2 4.09Å; I627-V644 HydrophobicContact CD1-CG2 4.31Å; I627-V644 HydrophobicContact CG1-CG2 4.32Å; V640-V644 HydrophobicContact CG1-CG2 4.46Å; V640-V644 WeakPolarHBondContact O-CG2 3.44Å; V640-V644 PolarHBondContact O-N 2.99Å; L641-V644 PolarHBondContact O-N 3.17Å; H642-V644 PolarHBondContact O-N 3.14Å; V644-L647 WeakPolarHBondContact O-CB 3.22Å; V644-L647 PolarHBondContact O-N 3.04Å; V644-A648 PolarHBondContact O-N 2.86Å; V644-V664 HydrophobicContact CG1-CG1 3.6Å; V644-L668 HydrophobicContact CG1-CD1 4.36Å; V644-L668 HydrophobicContact CG1-CD2 3.79Å; V644-L668 HydrophobicContact CG1-CG 4.15Å
645I98.3Very high96.3Very high0 Ų035 Ų350%017%0.17CC..Hα-helixtrans-67.4-36.5175.9-67163000111.5L641 H642 A648 Q649 L668 W680 L683 C690 L693 Y694 L698L641-I645 HydrophobicContact CG-CD1 4.31Å; L641-I645 WeakPolarHBondContact O-CG1 3.35Å; L641-I645 PolarHBondContact O-N 3.08Å; H642-I645 PolarHBondContact O-N 2.9Å; I645-A648 PolarHBondContact O-N 2.78Å; I645-Q649 PolarHBondContact O-N 3.1Å; I645-L668 HydrophobicContact CG1-CD1 3.89Å; I645-L668 HydrophobicContact CG1-CD2 4.4Å; I645-W680 HydrophobicContact CD1-CZ3 4.22Å; I645-L683 HydrophobicContact CD1-CD2 3.63Å; I645-C690 WeakPolarHBondContact CG2-SG 3.39Å; I645-L693 HydrophobicContact CG2-CD2 4.19Å; I645-Y694 HydrophobicContact CD1-CG 4.3Å; I645-Y694 HydrophobicContact CG1-CD2 4.49Å; I645-Y694 HydrophobicContact CG1-CG 4.5Å; I645-L698 HydrophobicContact CG2-CD1 4.01Å
646L98.1Very high96.4Very high56 Ų5633.3 Ų33.329%0.29316%0.157SC..Hα-helixtrans-68.2-33.8172.9-68.4176.1000112.6A563 H642 K643 Q649 A650A563-L646 HydrophobicContact CB-CB 4.1Å; H642-L646 WeakPolarHBondContact O-CG 3.41Å; H642-L646 PolarHBondContact O-N 2.93Å; K643-L646 PolarHBondContact O-N 2.82Å; L646-Q649 PolarHBondContact O-N 3.08Å; L646-A650 WeakPolarHBondContact O-CB 3.16Å; L646-A650 PolarHBondContact O-N 2.91Å
647L98.3Very high96.5Very high18 Ų1828 Ų289%0.09413%0.132CC..Hα-helixtrans-63.9-45.6171.4177.158.9000111.2L566 A567 M570 K643 V644 Q649 A650 L651L566-L647 HydrophobicContact CB-CD1 3.81Å; A567-L647 HydrophobicContact CB-CD1 3.98Å; M570-L647 HydrophobicContact SD-CD1 4.02Å; M570-L647 HydrophobicContact SD-CD2 3.98Å; M570-L647 HydrophobicContact SD-CG 4.3Å; K643-L647 PolarHBondContact O-N 3.36Å; V644-L647 WeakPolarHBondContact O-CB 3.22Å; V644-L647 PolarHBondContact O-N 3.04Å; L647-Q649 VanDerWaalsContact C-N 3.3Å; L647-Q649 PolarHBondContact O-N 3.13Å; L647-A650 PolarHBondContact O-N 3.37Å; L647-A650 VanDerWaalsContact O-N 3.16Å; L647-L651 HydrophobicContact CD1-CD1 4.17Å; L647-L651 HydrophobicContact CD1-CG 4.27Å; L647-L651 HydrophobicContact CG-CD1 4.03Å; L647-L651 WeakPolarHBondContact O-CG 3.31Å; L647-L651 PolarHBondContact O-N 3.23Å
648A98.3Very high96.6Very high0 Ų028.1 Ų28.10%013%0.133CC..Hα-helixtrans-57.7-41.5172.400000112.1V644 I645 K652 F661 V664 M665 L698V644-A648 PolarHBondContact O-N 2.86Å; I645-A648 PolarHBondContact O-N 2.78Å; A648-K652 WeakPolarHBondContact O-CB 3.41Å; A648-K652 PolarHBondContact O-N 3.39Å; A648-K652 VanDerWaalsContact O-N 3.1Å; A648-F661 HydrophobicContact CB-CD2 4.09Å; A648-F661 HydrophobicContact CB-CE2 4.11Å; A648-F661 VanDerWaalsContact O-CD2 3.26Å; A648-F661 WeakPolarHBondContact O-CD2 3.12Å; A648-V664 HydrophobicContact CB-CB 4.42Å; A648-V664 HydrophobicContact CB-CG1 3.87Å; A648-M665 HydrophobicContact CB-SD 4.33Å; A648-L698 HydrophobicContact CB-CD1 3.99Å
649Q97.4Very high96.6Very high49 Ų4928.2 Ų28.223%0.22913%0.134CC..Hα-helixtrans-63.6-43.9174-166.7-172.2-0.100112.2I645 L646 L647 K652 E653 L693I645-Q649 PolarHBondContact O-N 3.1Å; L646-Q649 PolarHBondContact O-N 3.08Å; L647-Q649 VanDerWaalsContact C-N 3.3Å; L647-Q649 PolarHBondContact O-N 3.13Å; Q649-K652 PolarHBondContact O-N 3.33Å; Q649-E653 HydrophobicContact CG-CG 4.24Å; Q649-E653 WeakPolarHBondContact CG-OE2 3.3Å; Q649-E653 PolarHBondContact NE2-OE2 2.92Å; Q649-E653 WeakPolarHBondContact O-CB 3.33Å; Q649-E653 PolarHBondContact O-N 3.4Å; Q649-L693 HydrophobicContact CB-CD2 4.21Å; Q649-L693 HydrophobicContact CG-CD1 4.32Å; Q649-L693 HydrophobicContact CG-CD2 4.29Å; Q649-L693 VanDerWaalsContact OE1-CD2 3.24Å
650A97.4Very high96.8Very high4 Ų424.8 Ų24.83%0.03312%0.117CC..Hα-helixtrans-64.2-42.6179.900000112.5A563 A567 L646 L647 K652 H654 V655A563-A650 HydrophobicContact CB-CB 4.26Å; A563-A650 WeakPolarHBondContact O-CB 3.2Å; A567-A650 HydrophobicContact CB-CB 3.89Å; L646-A650 WeakPolarHBondContact O-CB 3.16Å; L646-A650 PolarHBondContact O-N 2.91Å; L647-A650 PolarHBondContact O-N 3.37Å; L647-A650 VanDerWaalsContact O-N 3.16Å; A650-K652 VanDerWaalsContact C-N 3.32Å; A650-K652 PolarHBondContact O-N 2.99Å; A650-H654 WeakPolarHBondContact O-CA 3.36Å; A650-H654 WeakPolarHBondContact O-CB 3.46Å; A650-H654 PolarHBondContact O-N 2.83Å; A650-V655 PolarHBondContact O-N 3.17Å
651L97.6Very high96.9Very high0 Ų023.7 Ų23.70%011%0.11CC..Iπ-helixtrans-58.2-43.5173.2-71.4162.5000111.2A567 M570 L647 Y656 D657 F661 V664A567-L651 HydrophobicContact CB-CD2 3.8Å; A567-L651 HydrophobicContact CB-CG 3.9Å; M570-L651 HydrophobicContact CB-CD2 4.26Å; M570-L651 HydrophobicContact CE-CD1 4.29Å; M570-L651 HydrophobicContact SD-CD1 4.07Å; M570-L651 HydrophobicContact SD-CD2 4.26Å; L647-L651 HydrophobicContact CD1-CD1 4.17Å; L647-L651 HydrophobicContact CD1-CG 4.27Å; L647-L651 HydrophobicContact CG-CD1 4.03Å; L647-L651 WeakPolarHBondContact O-CG 3.31Å; L647-L651 PolarHBondContact O-N 3.23Å; L651-Y656 VanDerWaalsContact O-CA 3.25Å; L651-Y656 WeakPolarHBondContact O-CA 3.48Å; L651-Y656 PolarHBondContact O-N 3.19Å; L651-D657 HydrophobicContact CD2-CB 4.08Å; L651-D657 PolarHBondContact O-N 3.43Å; L651-F661 HydrophobicContact CB-CB 4.03Å; L651-V664 HydrophobicContact CD1-CG2 3.79Å
652K95.3Very high96.9Very high38 Ų3823.9 Ų23.917%0.16511%0.111CC..Iπ-helixtrans-73.6-40.9179.5179.1-172.3170.3-65.30114.8A648 Q649 A650 Y656 F661 L698 F701A648-K652 WeakPolarHBondContact O-CB 3.41Å; A648-K652 PolarHBondContact O-N 3.39Å; A648-K652 VanDerWaalsContact O-N 3.1Å; Q649-K652 PolarHBondContact O-N 3.33Å; A650-K652 VanDerWaalsContact C-N 3.32Å; A650-K652 PolarHBondContact O-N 2.99Å; K652-Y656 WeakPolarHBondContact O-CD1 3.05Å; K652-F661 HydrophobicContact CB-CD2 3.93Å; K652-F661 HydrophobicContact CB-CE2 4.12Å; K652-F661 HydrophobicContact CB-CG 4.38Å; K652-F661 HydrophobicContact CD-CE2 4.3Å; K652-F661 HydrophobicContact CD-CZ 4.35Å; K652-L698 HydrophobicContact CD-CD2 3.6Å; K652-F701 HydrophobicContact CD-CD1 3.62Å; K652-F701 HydrophobicContact CD-CE1 3.7Å; K652-F701 HydrophobicContact CD-CG 4.29Å; K652-F701 HydrophobicContact CD-CZ 4.42Å; K652-F701 VanDerWaalsContact CE-CD1 3.43Å; K652-F701 HydrophobicContact CG-CD1 4.15Å; K652-F701 HydrophobicContact CG-CE1 3.68Å; K652-F701 HydrophobicContact CG-CZ 4.2Å
653E94.1Very high97Very high53 Ų5322.2 Ų22.225%0.24810%0.104CC..Iπ-helixtrans-118.4-7.5-161.9-56.6-170.7159.300114.7Q649 Y656Q649-E653 HydrophobicContact CG-CG 4.24Å; Q649-E653 WeakPolarHBondContact CG-OE2 3.3Å; Q649-E653 PolarHBondContact NE2-OE2 2.92Å; Q649-E653 WeakPolarHBondContact O-CB 3.33Å; Q649-E653 PolarHBondContact O-N 3.4Å; E653-Y656 PolarHBondContact O-OH 3.16Å
654H92.9Very high97Very high96 Ų9618.9 Ų18.944%0.4449%0.089SC..Iπ-helixtrans-124.4-33.7177.7-61.9-20.5000113.2K564 A650K564-H654 HydrophobicContact CG-CB 4.42Å; A650-H654 WeakPolarHBondContact O-CA 3.36Å; A650-H654 WeakPolarHBondContact O-CB 3.46Å; A650-H654 PolarHBondContact O-N 2.83Å
655V93.8Very high97.1Very high0 Ų018.4 Ų18.40%09%0.086CC..Iπ-helixtrans-111.2-22.4-172.8-177.70000112A567 L568 L571 A650 D657 A718 L769A567-V655 HydrophobicContact CB-CB 4.24Å; A567-V655 HydrophobicContact CB-CG2 3.59Å; L568-V655 HydrophobicContact CD2-CG1 4.37Å; L568-V655 HydrophobicContact CD2-CG2 4.02Å; L568-V655 HydrophobicContact CG-CG2 4.09Å; L571-V655 HydrophobicContact CB-CG1 3.48Å; L571-V655 VanDerWaalsContact CB-CG1 3.48Å; L571-V655 HydrophobicContact CD1-CG1 4.27Å; L571-V655 HydrophobicContact CD2-CG1 3.5Å; L571-V655 VanDerWaalsContact CD2-CG1 3.5Å; L571-V655 HydrophobicContact CG-CG1 3.9Å; A650-V655 PolarHBondContact O-N 3.17Å; V655-D657 VanDerWaalsContact C-N 3.28Å; V655-D657 HydrophobicContact CG1-CB 4.35Å; V655-D657 PolarHBondContact O-N 2.91Å; V655-A718 WeakPolarHBondContact O-CB 3.46Å; V655-L769 VanDerWaalsContact O-CD1 3.22Å; V655-L769 WeakPolarHBondContact O-CD1 3.26Å
656Y95.8Very high97Very high59 Ų5923 Ų2323%0.23111%0.106CC..  trans53.443179-52.2-90.7000113.4L651 K652 E653 R714 P716 A718 V719L651-Y656 VanDerWaalsContact O-CA 3.25Å; L651-Y656 WeakPolarHBondContact O-CA 3.48Å; L651-Y656 PolarHBondContact O-N 3.19Å; K652-Y656 WeakPolarHBondContact O-CD1 3.05Å; E653-Y656 PolarHBondContact O-OH 3.16Å; Y656-R714 VanDerWaalsContact CE1-O 3.3Å; Y656-R714 WeakPolarHBondContact CE1-O 3.41Å; Y656-P716 WeakPolarHBondContact CB-O 3.19Å; Y656-P716 HydrophobicContact CD2-CG 4.07Å; Y656-P716 HydrophobicContact CE2-CG 4.08Å; Y656-A718 PolarHBondContact O-N 2.85Å; Y656-V719 PolarHBondContact O-N 3.36Å
657D97.3Very high97Very high0 Ų020.3 Ų20.30%09%0.092CC..BIsolated β-bridgetrans-99.499.8170.3-170.8-35.2000108.9L571 L651 V655 F659 S660 F661 V719L571-D657 HydrophobicContact CD1-CB 4.17Å; L651-D657 HydrophobicContact CD2-CB 4.08Å; L651-D657 PolarHBondContact O-N 3.43Å; V655-D657 VanDerWaalsContact C-N 3.28Å; V655-D657 HydrophobicContact CG1-CB 4.35Å; V655-D657 PolarHBondContact O-N 2.91Å; D657-F659 PolarHBondContact OD1-N 3.36Å; D657-F659 VanDerWaalsContact OD1-N 3.14Å; D657-S660 PolarHBondContact OD1-N 3.32Å; D657-F661 WeakPolarHBondContact O-CB 3.1Å; D657-F661 PolarHBondContact O-N 3.01Å; D657-F661 VanDerWaalsContact O-N 3.17Å; D657-V719 HydrophobicContact CB-CB 4.44Å; D657-V719 HydrophobicContact CB-CG2 4.42Å
658L96.8Very high97Very high7 Ų719.4 Ų19.44%0.0379%0.088CC..Hα-helixtrans-81.3-25.7-178.1-56.6-179.9000112.1S662 F701 L705 V713 I717 V719 H721L658-S662 WeakPolarHBondContact O-CB 3.44Å; L658-S662 PolarHBondContact O-N 3.15Å; L658-S662 PolarHBondContact O-OG 2.89Å; L658-F701 HydrophobicContact CD2-CE1 4.18Å; L658-F701 HydrophobicContact CD2-CZ 4.05Å; L658-L705 HydrophobicContact CD1-CD2 4.23Å; L658-L705 HydrophobicContact CD2-CD1 4.41Å; L658-V713 HydrophobicContact CD1-CG1 3.79Å; L658-V713 HydrophobicContact CD1-CG2 4.31Å; L658-I717 HydrophobicContact CD1-CG2 4.15Å; L658-I717 HydrophobicContact CG-CG2 4.39Å; L658-V719 WeakPolarHBondContact CB-O 3.49Å; L658-V719 PolarHBondContact N-O 3.03Å; L658-H721 HydrophobicContact CB-CB 4.1Å
659F97.8Very high96.9Very high2 Ų222.2 Ų22.21%0.00910%0.102CC..Hα-helixtrans-64.6-56.9176.2171.1-98.5000110.4D574 L612 R615 H616 I619 D657 S662 A663 V719 L722 V723 L726D574-F659 HydrophobicContact CB-CD1 4.47Å; L612-F659 HydrophobicContact CB-CE2 4.34Å; L612-F659 HydrophobicContact CB-CZ 4.47Å; L612-F659 HydrophobicContact CD2-CE2 4.41Å; L612-F659 HydrophobicContact CD2-CZ 4.12Å; L612-F659 WeakPolarHBondContact O-CZ 3.33Å; R615-F659 HydrophobicContact CG-CE1 4.4Å; R615-F659 HydrophobicContact CG-CZ 4.48Å; H616-F659 HydrophobicContact CB-CE2 3.95Å; H616-F659 HydrophobicContact CB-CZ 3.89Å; H616-F659 AromaticContact CD2-CE2 3.94Å; I619-F659 HydrophobicContact CD1-CE1 4.44Å; D657-F659 PolarHBondContact OD1-N 3.36Å; D657-F659 VanDerWaalsContact OD1-N 3.14Å; F659-S662 PolarHBondContact O-N 2.78Å; F659-S662 PolarHBondContact O-OG 3.05Å; F659-A663 PolarHBondContact O-N 3.33Å; F659-V719 HydrophobicContact CB-CB 4.45Å; F659-V719 HydrophobicContact CB-CG1 3.64Å; F659-V719 HydrophobicContact CG-CG1 4.48Å; F659-L722 HydrophobicContact CD2-CB 4.38Å; F659-V723 HydrophobicContact CD2-CG2 4.29Å; F659-L726 HydrophobicContact CE2-CD1 4.46Å
660S98Very high96.9Very high0 Ų021.2 Ų21.20%010%0.098CC..Hα-helixtrans-70.5-32.5178.1-95.80000112.7D574 D657 S662 A663 V664D574-S660 VanDerWaalsContact CG-OG 3.32Å; D574-S660 WeakPolarHBondContact OD2-CB 3.17Å; D574-S660 PolarHBondContact OD2-OG 3.04Å; D657-S660 PolarHBondContact OD1-N 3.32Å; S660-S662 VanDerWaalsContact C-N 3.31Å; S660-S662 PolarHBondContact O-N 3.22Å; S660-A663 PolarHBondContact O-N 3.4Å; S660-V664 WeakPolarHBondContact O-CG2 3.36Å; S660-V664 PolarHBondContact O-N 2.97Å; S660-V664 VanDerWaalsContact O-N 3.12Å
661F98.3Very high96.8Very high0 Ų025.9 Ų25.90%013%0.127CC..Hα-helixtrans-54.5-47.3168168.8-105.9000111.6A648 L651 K652 D657 A663 V664 M665 L698 F701 M702 L705A648-F661 HydrophobicContact CB-CD2 4.09Å; A648-F661 HydrophobicContact CB-CE2 4.11Å; A648-F661 VanDerWaalsContact O-CD2 3.26Å; A648-F661 WeakPolarHBondContact O-CD2 3.12Å; L651-F661 HydrophobicContact CB-CB 4.03Å; K652-F661 HydrophobicContact CB-CD2 3.93Å; K652-F661 HydrophobicContact CB-CE2 4.12Å; K652-F661 HydrophobicContact CB-CG 4.38Å; K652-F661 HydrophobicContact CD-CE2 4.3Å; K652-F661 HydrophobicContact CD-CZ 4.35Å; D657-F661 WeakPolarHBondContact O-CB 3.1Å; D657-F661 PolarHBondContact O-N 3.01Å; D657-F661 VanDerWaalsContact O-N 3.17Å; F661-A663 VanDerWaalsContact C-N 3.3Å; F661-A663 PolarHBondContact O-N 3.48Å; F661-V664 PolarHBondContact O-N 3.48Å; F661-M665 HydrophobicContact CD1-CG 4.36Å; F661-M665 HydrophobicContact CD2-CG 4.02Å; F661-M665 HydrophobicContact CE1-CG 3.85Å; F661-M665 HydrophobicContact CE2-CG 3.49Å; F661-M665 VanDerWaalsContact CE2-CG 3.49Å; F661-M665 HydrophobicContact CE2-SD 3.82Å; F661-M665 HydrophobicContact CG-CG 4.43Å; F661-M665 HydrophobicContact CZ-CG 3.39Å; F661-M665 HydrophobicContact CZ-SD 3.92Å; F661-M665 WeakPolarHBondContact O-CG 3.44Å; F661-M665 PolarHBondContact O-N 3.42Å; F661-L698 HydrophobicContact CE2-CB 4.4Å; F661-L698 HydrophobicContact CE2-CD2 4.18Å; F661-L698 HydrophobicContact CZ-CB 4.4Å; F661-F701 HydrophobicContact CD1-CD1 4.42Å; F661-F701 HydrophobicContact CD1-CE1 4.12Å; F661-F701 AromaticContact CE1-CD1 3.52Å; F661-F701 HydrophobicContact CE1-CD1 3.52Å; F661-F701 AromaticContact CE1-CE1 3.66Å; F661-F701 HydrophobicContact CE1-CE1 3.66Å; F661-F701 AromaticContact CZ-CD1 3.71Å; F661-F701 HydrophobicContact CZ-CD1 3.71Å; F661-F701 HydrophobicContact CZ-CE1 4.15Å; F661-M702 HydrophobicContact CD1-SD 4.09Å; F661-M702 HydrophobicContact CE1-CB 4.24Å; F661-M702 HydrophobicContact CE1-SD 3.7Å; F661-M702 HydrophobicContact CZ-CB 4.47Å; F661-L705 HydrophobicContact CD1-CD1 4.01Å; F661-L705 HydrophobicContact CE1-CD1 3.95Å
662S97.7Very high96.7Very high4 Ų426.3 Ų26.33%0.02813%0.128CC..Hα-helixtrans-65.7-30.8-179.176.80000113.3H616 L658 F659 S660 K666 H721H616-S662 PolarHBondContact NE2-OG 3.29Å; L658-S662 WeakPolarHBondContact O-CB 3.44Å; L658-S662 PolarHBondContact O-N 3.15Å; L658-S662 PolarHBondContact O-OG 2.89Å; F659-S662 PolarHBondContact O-N 2.78Å; F659-S662 PolarHBondContact O-OG 3.05Å; S660-S662 VanDerWaalsContact C-N 3.31Å; S660-S662 PolarHBondContact O-N 3.22Å; S662-K666 VanDerWaalsContact O-CB 3.24Å; S662-K666 WeakPolarHBondContact O-CB 3.39Å; S662-K666 PolarHBondContact O-N 2.8Å; S662-H721 VanDerWaalsContact CB-CE1 3.48Å; S662-H721 WeakPolarHBondContact CB-CE1 3.21Å
663A98.4Very high96.8Very high0 Ų024.5 Ų24.50%012%0.121CC..Hα-helixtrans-68.5-43.9174.700000111.7H616 I619 T620 F659 S660 F661 K666 A667H616-A663 VanDerWaalsContact NE2-CA 3.34Å; H616-A663 WeakPolarHBondContact NE2-CA 3.38Å; H616-A663 PolarHBondContact NE2-N 2.92Å; H616-A663 VanDerWaalsContact NE2-N 3.15Å; I619-A663 HydrophobicContact CB-CB 3.81Å; I619-A663 HydrophobicContact CG2-CB 3.53Å; T620-A663 PolarHBondContact OG1-O 2.66Å; F659-A663 PolarHBondContact O-N 3.33Å; S660-A663 PolarHBondContact O-N 3.4Å; F661-A663 VanDerWaalsContact C-N 3.3Å; F661-A663 PolarHBondContact O-N 3.48Å; A663-K666 PolarHBondContact O-N 2.98Å; A663-A667 PolarHBondContact O-N 2.76Å
664V98.6Very high96.9Very high0 Ų025.3 Ų25.30%013%0.129CC..Hα-helixtrans-64.4-41.7175.7-178.80000111M570 V623 V644 A648 L651 S660 F661 A667 L668M570-V664 HydrophobicContact CE-CG2 4.32Å; V623-V664 HydrophobicContact CG2-CG2 4.22Å; V644-V664 HydrophobicContact CG1-CG1 3.6Å; A648-V664 HydrophobicContact CB-CB 4.42Å; A648-V664 HydrophobicContact CB-CG1 3.87Å; L651-V664 HydrophobicContact CD1-CG2 3.79Å; S660-V664 WeakPolarHBondContact O-CG2 3.36Å; S660-V664 PolarHBondContact O-N 2.97Å; S660-V664 VanDerWaalsContact O-N 3.12Å; F661-V664 PolarHBondContact O-N 3.48Å; V664-A667 WeakPolarHBondContact O-CB 3.47Å; V664-A667 PolarHBondContact O-N 3.28Å; V664-L668 WeakPolarHBondContact O-CG 3.48Å; V664-L668 PolarHBondContact O-N 2.97Å; V664-L668 VanDerWaalsContact O-N 3.16Å
665M98.4Very high97.1Very high0 Ų024.4 Ų24.40%012%0.122CC..Hα-helixtrans-64.5-44.4175.2-70.3-60.1-6000112.2A648 F661 A667 L668 D669 Y694 L698 R699 M702A648-M665 HydrophobicContact CB-SD 4.33Å; F661-M665 HydrophobicContact CD1-CG 4.36Å; F661-M665 HydrophobicContact CD2-CG 4.02Å; F661-M665 HydrophobicContact CE1-CG 3.85Å; F661-M665 HydrophobicContact CE2-CG 3.49Å; F661-M665 VanDerWaalsContact CE2-CG 3.49Å; F661-M665 HydrophobicContact CE2-SD 3.82Å; F661-M665 HydrophobicContact CG-CG 4.43Å; F661-M665 HydrophobicContact CZ-CG 3.39Å; F661-M665 HydrophobicContact CZ-SD 3.92Å; F661-M665 WeakPolarHBondContact O-CG 3.44Å; F661-M665 PolarHBondContact O-N 3.42Å; M665-A667 PolarHBondContact O-N 3Å; M665-L668 PolarHBondContact O-N 3.39Å; M665-L668 VanDerWaalsContact O-N 3.12Å; M665-L668 HydrophobicContact SD-CD1 4.3Å; M665-D669 PolarHBondContact O-N 3.07Å; M665-D669 VanDerWaalsContact O-N 3.09Å; M665-Y694 HydrophobicContact CE-CD2 4.03Å; M665-Y694 HydrophobicContact CE-CE2 3.65Å; M665-Y694 HydrophobicContact SD-CD2 4.37Å; M665-Y694 HydrophobicContact SD-CE2 4.26Å; M665-L698 HydrophobicContact CE-CB 3.97Å; M665-L698 HydrophobicContact SD-CB 3.81Å; M665-L698 HydrophobicContact SD-CD1 4.48Å; M665-R699 HydrophobicContact CE-CB 4.27Å; M665-M702 HydrophobicContact CB-CB 4.45Å; M665-M702 HydrophobicContact CB-CG 3.84Å; M665-M702 HydrophobicContact CB-SD 3.86Å; M665-M702 HydrophobicContact CE-CB 4.14Å; M665-M702 HydrophobicContact CG-CB 4.32Å; M665-M702 HydrophobicContact CG-CG 4.18Å; M665-M702 HydrophobicContact CG-SD 4.09Å
666K97.5Very high97.2Very high96 Ų9624.5 Ų24.542%0.41712%0.122SC..Hα-helixtrans-57.8-35.6175.4-171.2173.3-177.7170.40111.8T620 S662 A663 D669 M670T620-K666 HydrophobicContact CG2-CB 4.06Å; T620-K666 HydrophobicContact CG2-CD 4.27Å; T620-K666 HydrophobicContact CG2-CG 3.88Å; S662-K666 VanDerWaalsContact O-CB 3.24Å; S662-K666 WeakPolarHBondContact O-CB 3.39Å; S662-K666 PolarHBondContact O-N 2.8Å; A663-K666 PolarHBondContact O-N 2.98Å; K666-D669 PolarHBondContact O-N 2.9Å; K666-M670 WeakPolarHBondContact O-CG 3.21Å; K666-M670 PolarHBondContact O-N 3.33Å; K666-M670 VanDerWaalsContact O-N 3.16Å
667A98Very high97.2Very high0 Ų027 Ų270%014%0.136CC..Hα-helixtrans-69-40176.300000112.9T620 V623 A663 V664 M665 D669 M670 I673T620-A667 HydrophobicContact CG2-CB 4.01Å; T620-A667 VanDerWaalsContact O-CB 3.3Å; T620-A667 WeakPolarHBondContact O-CB 3.45Å; V623-A667 HydrophobicContact CB-CB 3.61Å; V623-A667 HydrophobicContact CG1-CB 3.53Å; A663-A667 PolarHBondContact O-N 2.76Å; V664-A667 WeakPolarHBondContact O-CB 3.47Å; V664-A667 PolarHBondContact O-N 3.28Å; M665-A667 PolarHBondContact O-N 3Å; A667-D669 PolarHBondContact O-N 3.11Å; A667-M670 WeakPolarHBondContact O-CB 3.34Å; A667-M670 PolarHBondContact O-N 2.93Å; A667-I673 WeakPolarHBondContact O-CG1 3.36Å
668L97.9Very high97.1Very high0 Ų031.5 Ų31.50%016%0.158CC..Hα-helixtrans-66.2-29.1176.3-67.3172.9000112.5I627 L641 V644 I645 V664 M665 V674 W680 Y694I627-L668 HydrophobicContact CD1-CD2 4.33Å; L641-L668 HydrophobicContact CD1-CD2 3.41Å; L641-L668 VanDerWaalsContact CD1-CD2 3.41Å; V644-L668 HydrophobicContact CG1-CD1 4.36Å; V644-L668 HydrophobicContact CG1-CD2 3.79Å; V644-L668 HydrophobicContact CG1-CG 4.15Å; I645-L668 HydrophobicContact CG1-CD1 3.89Å; I645-L668 HydrophobicContact CG1-CD2 4.4Å; V664-L668 WeakPolarHBondContact O-CG 3.48Å; V664-L668 PolarHBondContact O-N 2.97Å; V664-L668 VanDerWaalsContact O-N 3.16Å; M665-L668 PolarHBondContact O-N 3.39Å; M665-L668 VanDerWaalsContact O-N 3.12Å; M665-L668 HydrophobicContact SD-CD1 4.3Å; L668-V674 WeakPolarHBondContact O-CG2 3.38Å; L668-W680 HydrophobicContact CD2-CH2 4.32Å; L668-Y694 HydrophobicContact CB-CE2 3.87Å; L668-Y694 WeakPolarHBondContact CB-OH 3.38Å; L668-Y694 HydrophobicContact CD1-CD2 3.95Å; L668-Y694 HydrophobicContact CD1-CE2 3.64Å; L668-Y694 HydrophobicContact CG-CE2 4.37Å
669D96.6Very high97.1Very high58 Ų5831.2 Ų31.231%0.3116%0.156SC..THydrogen-bonded Turntrans-92.41.4177.5-76-25.5000114.7M665 K666 A667 T671 Y694 R699M665-D669 PolarHBondContact O-N 3.07Å; M665-D669 VanDerWaalsContact O-N 3.09Å; K666-D669 PolarHBondContact O-N 2.9Å; A667-D669 PolarHBondContact O-N 3.11Å; D669-T671 PolarHBondContact O-N 2.9Å; D669-Y694 PolarHBondContact OD1-OH 3.05Å; D669-R699 VanDerWaalsContact CG-NH1 3.3Å; D669-R699 IonicContact OD1-CZ 3.35Å; D669-R699 IonicContact OD1-NH1 3.89Å; D669-R699 PolarHBondContact OD1-NH1 3.1Å; D669-R699 IonicContact OD1-NH2 3.78Å; D669-R699 IonicContact OD2-NH1 2.8Å; D669-R699 PolarHBondContact OD2-NH1 2.95Å
670M96.7Very high97.1Very high28 Ų2831.6 Ų31.614%0.13816%0.158CC..SBendtrans-60.2137.3170.3-72.9-176.171.900111T620 L621 A624 K666 A667 Q672 I673 V674 L813T620-M670 HydrophobicContact CG2-CG 4.42Å; T620-M670 HydrophobicContact CG2-SD 3.89Å; L621-M670 HydrophobicContact CD2-CE 4.39Å; A624-M670 HydrophobicContact CB-CE 4.48Å; A624-M670 HydrophobicContact CB-SD 3.74Å; K666-M670 WeakPolarHBondContact O-CG 3.21Å; K666-M670 PolarHBondContact O-N 3.33Å; K666-M670 VanDerWaalsContact O-N 3.16Å; A667-M670 WeakPolarHBondContact O-CB 3.34Å; A667-M670 PolarHBondContact O-N 2.93Å; M670-Q672 PolarHBondContact O-N 3.47Å; M670-Q672 VanDerWaalsContact O-N 3.11Å; M670-I673 HydrophobicContact CB-CB 4.48Å; M670-I673 HydrophobicContact CB-CG1 4.13Å; M670-I673 WeakPolarHBondContact O-CA 3.41Å; M670-I673 PolarHBondContact O-N 2.99Å; M670-V674 WeakPolarHBondContact O-CG2 3.4Å; M670-V674 PolarHBondContact O-N 3.43Å; M670-L813 HydrophobicContact CE-CD1 3.64Å
671T95.5Very high97Very high103 Ų10336 Ų3663%0.63218%0.175SC*.Hα-helixtrans-56.5-34.7-176.962.30000112.3D669 I673 R675D669-T671 PolarHBondContact O-N 2.9Å; T671-I673 VanDerWaalsContact C-N 3.29Å; T671-I673 PolarHBondContact O-N 3.3Å; T671-R675 WeakPolarHBondContact O-CB 3.44Å; T671-R675 VanDerWaalsContact O-CG 3.27Å; T671-R675 WeakPolarHBondContact O-CG 3.47Å; T671-R675 PolarHBondContact O-N 2.99Å
672Q96.3Very high97Very high8 Ų836.5 Ų36.54%0.03718%0.178CC..Hα-helixtrans-69.9-19.8177.4-55.688.2-8.300113.8L628 M670 D810 L813 C814 S817L628-Q672 HydrophobicContact CD1-CB 4.26Å; M670-Q672 PolarHBondContact O-N 3.47Å; M670-Q672 VanDerWaalsContact O-N 3.11Å; Q672-D810 PolarHBondContact NE2-OD1 3.14Å; Q672-L813 HydrophobicContact CG-CB 4.17Å; Q672-C814 PolarHBondContact NE2-SG 2.95Å; Q672-S817 WeakPolarHBondContact O-CB 3.41Å; Q672-S817 PolarHBondContact O-OG 3.24Å
673I96.9Very high97Very high1 Ų136.3 Ų36.31%0.00518%0.177CC..Hα-helixtrans-99.5-44.2178.3-56.5-58.1000110.9A624 I627 L628 A667 M670 T671 R675 L676 W680A624-I673 HydrophobicContact CB-CD1 4.19Å; A624-I673 HydrophobicContact CB-CG1 4.27Å; I627-I673 HydrophobicContact CB-CD1 4.12Å; I627-I673 HydrophobicContact CD1-CD1 4.46Å; I627-I673 HydrophobicContact CD1-CG2 4.22Å; I627-I673 HydrophobicContact CG2-CD1 3.98Å; L628-I673 HydrophobicContact CD1-CD1 3.83Å; L628-I673 HydrophobicContact CD2-CD1 4.07Å; L628-I673 HydrophobicContact CG-CD1 3.63Å; A667-I673 WeakPolarHBondContact O-CG1 3.36Å; M670-I673 HydrophobicContact CB-CB 4.48Å; M670-I673 HydrophobicContact CB-CG1 4.13Å; M670-I673 WeakPolarHBondContact O-CA 3.41Å; M670-I673 PolarHBondContact O-N 2.99Å; T671-I673 VanDerWaalsContact C-N 3.29Å; T671-I673 PolarHBondContact O-N 3.3Å; I673-R675 VanDerWaalsContact C-N 3.25Å; I673-R675 PolarHBondContact O-N 3.07Å; I673-L676 HydrophobicContact CD1-CD1 4.37Å; I673-L676 WeakPolarHBondContact O-CB 3.38Å; I673-L676 WeakPolarHBondContact O-CG 3.44Å; I673-L676 PolarHBondContact O-N 3.05Å; I673-L676 VanDerWaalsContact O-N 3.16Å; I673-W680 HydrophobicContact CG2-CZ2 4.3Å; I673-W680 PolarHBondContact O-NE1 3.48Å
674V96.4Very high97Very high69 Ų6941.7 Ų41.742%0.41820%0.197SC..Hα-helixtrans-58.2-37.8178.51760000111.6L668 M670 L676L668-V674 WeakPolarHBondContact O-CG2 3.38Å; M670-V674 WeakPolarHBondContact O-CG2 3.4Å; M670-V674 PolarHBondContact O-N 3.43Å; V674-L676 PolarHBondContact O-N 3.29Å
675R96.2Very high96.9Very high78 Ų7851.2 Ų51.229%0.29423%0.233SC..THydrogen-bonded Turntrans-68.9-7.8179.670.9168.3-85.8-176.3-11.1116T671 I673 E677 S817 D818 E821T671-R675 WeakPolarHBondContact O-CB 3.44Å; T671-R675 VanDerWaalsContact O-CG 3.27Å; T671-R675 WeakPolarHBondContact O-CG 3.47Å; T671-R675 PolarHBondContact O-N 2.99Å; I673-R675 VanDerWaalsContact C-N 3.25Å; I673-R675 PolarHBondContact O-N 3.07Å; R675-E677 PolarHBondContact O-N 2.92Å; R675-S817 VanDerWaalsContact CD-OG 3.27Å; R675-S817 WeakPolarHBondContact CD-OG 3.46Å; R675-S817 WeakPolarHBondContact CG-OG 3.36Å; R675-D818 IonicContact CZ-OD1 2.86Å; R675-D818 VanDerWaalsContact NH1-CG 3.32Å; R675-D818 IonicContact NH1-OD1 3.12Å; R675-D818 PolarHBondContact NH1-OD1 3.08Å; R675-D818 IonicContact NH1-OD2 3.96Å; R675-D818 IonicContact NH2-OD1 2.74Å; R675-D818 PolarHBondContact NH2-OD1 3.11Å; R675-E821 PolarHBondContact NH2-O 3.1Å
676L95.6Very high96.8Very high1 Ų154.9 Ų54.91%0.00525%0.253CS..  trans-77.362-176.6-62.1175.7000111I627 L628 I673 V674 M678 T679 W680 S817 E821I627-L676 HydrophobicContact CG2-CD1 4.1Å; L628-L676 HydrophobicContact CD2-CD1 3.94Å; L628-L676 HydrophobicContact CD2-CD2 4.43Å; I673-L676 HydrophobicContact CD1-CD1 4.37Å; I673-L676 WeakPolarHBondContact O-CB 3.38Å; I673-L676 WeakPolarHBondContact O-CG 3.44Å; I673-L676 PolarHBondContact O-N 3.05Å; I673-L676 VanDerWaalsContact O-N 3.16Å; V674-L676 PolarHBondContact O-N 3.29Å; L676-M678 VanDerWaalsContact C-N 3.3Å; L676-M678 PolarHBondContact O-N 3.1Å; L676-T679 WeakPolarHBondContact O-CA 3.2Å; L676-T679 WeakPolarHBondContact O-CB 3.4Å; L676-T679 PolarHBondContact O-N 3.31Å; L676-W680 VanDerWaalsContact O-CD1 3.22Å; L676-W680 PolarHBondContact O-N 3.12Å; L676-S817 WeakPolarHBondContact CD2-OG 3.47Å; L676-E821 VanDerWaalsContact CA-OE2 3.32Å; L676-E821 WeakPolarHBondContact CA-OE2 3.45Å; L676-E821 HydrophobicContact CD2-CB 4.06Å; L676-E821 HydrophobicContact CD2-CG 4.03Å
677E95.6Very high96.7Very high112 Ų11252.8 Ų52.852%0.52324%0.244SC..Hα-helixtrans-53.8-41-172.9-78.3-158.3-158.800113.9R675 T679 W680 R681 E821R675-E677 PolarHBondContact O-N 2.92Å; E677-T679 VanDerWaalsContact C-N 3.3Å; E677-T679 PolarHBondContact O-N 3.08Å; E677-W680 PolarHBondContact O-N 3.36Å; E677-R681 WeakPolarHBondContact O-CB 3.41Å; E677-R681 WeakPolarHBondContact O-CG 3.12Å; E677-R681 PolarHBondContact O-N 2.9Å; E677-R681 IonicContact OE2-CZ 2.72Å; E677-R681 VanDerWaalsContact OE2-CZ 3.32Å; E677-R681 IonicContact OE2-NE 3.58Å; E677-R681 PolarHBondContact OE2-NE 3.48Å; E677-R681 VanDerWaalsContact OE2-NE 3.11Å; E677-R681 IonicContact OE2-NH2 2.73Å; E677-R681 PolarHBondContact OE2-NH2 3.48Å; E677-E821 PolarHBondContact N-OE2 2.87Å; E677-E821 VanDerWaalsContact N-OE2 3.08Å
678M95.7Very high96.7Very high95 Ų9556.4 Ų56.447%0.46827%0.267SS..Hα-helixtrans-64.1-40.9178.9-56.1-68.8-68.800109.9V634 L676 R681 A682 E821V634-M678 VanDerWaalsContact CG1-C 3.46Å; V634-M678 HydrophobicContact CG1-CB 3.92Å; V634-M678 WeakPolarHBondContact CG1-O 3.15Å; V634-M678 HydrophobicContact CG2-CB 4.43Å; L676-M678 VanDerWaalsContact C-N 3.3Å; L676-M678 PolarHBondContact O-N 3.1Å; M678-R681 PolarHBondContact SD-NH1 3.12Å; M678-A682 VanDerWaalsContact O-CB 3.31Å; M678-A682 WeakPolarHBondContact O-CB 3.5Å; M678-A682 PolarHBondContact O-N 3.04Å; M678-E821 WeakPolarHBondContact CA-OE2 3.3Å; M678-E821 HydrophobicContact CB-CG 4.4Å; M678-E821 VanDerWaalsContact CB-OE2 3.26Å; M678-E821 WeakPolarHBondContact CB-OE2 3.44Å; M678-E821 HydrophobicContact CG-CG 4.45Å; M678-E821 WeakPolarHBondContact CG-OE2 3.26Å; M678-E821 PolarHBondContact N-OE2 3.37Å
679T96.9Very high96.6Very high0 Ų062.6 Ų62.60%030%0.3CS..Hα-helixtrans-64.5-49.7175.1-56.30000111.6R637 A638 L641 L676 E677 R681 A682 L683 E821R637-T679 HydrophobicContact CB-CG2 4.34Å; R637-T679 HydrophobicContact CG-CG2 3.88Å; R637-T679 PolarHBondContact NE-OG1 3.02Å; R637-T679 PolarHBondContact NH2-OG1 3.04Å; A638-T679 HydrophobicContact CB-CG2 4.18Å; L641-T679 HydrophobicContact CB-CG2 4.44Å; L641-T679 HydrophobicContact CD2-CG2 3.78Å; L676-T679 WeakPolarHBondContact O-CA 3.2Å; L676-T679 WeakPolarHBondContact O-CB 3.4Å; L676-T679 PolarHBondContact O-N 3.31Å; E677-T679 VanDerWaalsContact C-N 3.3Å; E677-T679 PolarHBondContact O-N 3.08Å; T679-R681 VanDerWaalsContact C-N 3.35Å; T679-R681 PolarHBondContact O-N 3.06Å; T679-A682 PolarHBondContact O-N 2.78Å; T679-L683 PolarHBondContact O-N 2.69Å; T679-E821 WeakPolarHBondContact CB-OE1 3.47Å; T679-E821 PolarHBondContact N-OE1 3.42Å; T679-E821 VanDerWaalsContact N-OE1 3.11Å; T679-E821 PolarHBondContact OG1-OE1 3.24Å
680W97.6Very high96.6Very high10 Ų1060.2 Ų60.24%0.03829%0.288CS..Hα-helixtrans-66-35178.3-72.4106.7000112.6L641 I645 L668 I673 L676 E677 L683 R684 Y694L641-W680 HydrophobicContact CD1-CH2 3.96Å; L641-W680 HydrophobicContact CD1-CZ2 4.04Å; L641-W680 HydrophobicContact CD1-CZ3 4.47Å; L641-W680 HydrophobicContact CD2-CD2 3.82Å; L641-W680 HydrophobicContact CD2-CE3 3.82Å; L641-W680 HydrophobicContact CD2-CG 4.45Å; L641-W680 HydrophobicContact CD2-CH2 4.15Å; L641-W680 HydrophobicContact CD2-CZ2 4.16Å; L641-W680 HydrophobicContact CD2-CZ3 3.98Å; L641-W680 HydrophobicContact CG-CH2 4.43Å; L641-W680 HydrophobicContact CG-CZ3 4.46Å; I645-W680 HydrophobicContact CD1-CZ3 4.22Å; L668-W680 HydrophobicContact CD2-CH2 4.32Å; I673-W680 HydrophobicContact CG2-CZ2 4.3Å; I673-W680 PolarHBondContact O-NE1 3.48Å; L676-W680 VanDerWaalsContact O-CD1 3.22Å; L676-W680 PolarHBondContact O-N 3.12Å; E677-W680 PolarHBondContact O-N 3.36Å; W680-L683 HydrophobicContact CE3-CD2 3.8Å; W680-L683 HydrophobicContact CZ3-CD2 3.81Å; W680-R684 WeakPolarHBondContact O-CB 3.32Å; W680-R684 VanDerWaalsContact O-CG 3.25Å; W680-R684 WeakPolarHBondContact O-CG 3.27Å; W680-R684 PolarHBondContact O-N 3.25Å; W680-Y694 AromaticContact CH2-CD1 3.88Å; W680-Y694 HydrophobicContact CH2-CD1 3.88Å; W680-Y694 AromaticContact CH2-CE1 3.34Å; W680-Y694 HydrophobicContact CH2-CE1 3.34Å; W680-Y694 AromaticContact CH2-CZ 3.77Å; W680-Y694 HydrophobicContact CZ2-CE1 4.31Å; W680-Y694 AromaticContact CZ3-CD1 3.65Å; W680-Y694 HydrophobicContact CZ3-CD1 3.65Å; W680-Y694 AromaticContact CZ3-CE1 3.53Å; W680-Y694 HydrophobicContact CZ3-CE1 3.53Å
681R97.2Very high96.7Very high94 Ų9459.2 Ų59.236%0.35528%0.284SS..Hα-helixtrans-70.2-31.6173-72.2-173.5-97.4111.5-13.6111.9E677 M678 T679 R685E677-R681 WeakPolarHBondContact O-CB 3.41Å; E677-R681 WeakPolarHBondContact O-CG 3.12Å; E677-R681 PolarHBondContact O-N 2.9Å; E677-R681 IonicContact OE2-CZ 2.72Å; E677-R681 VanDerWaalsContact OE2-CZ 3.32Å; E677-R681 IonicContact OE2-NE 3.58Å; E677-R681 PolarHBondContact OE2-NE 3.48Å; E677-R681 VanDerWaalsContact OE2-NE 3.11Å; E677-R681 IonicContact OE2-NH2 2.73Å; E677-R681 PolarHBondContact OE2-NH2 3.48Å; M678-R681 PolarHBondContact SD-NH1 3.12Å; T679-R681 VanDerWaalsContact C-N 3.35Å; T679-R681 PolarHBondContact O-N 3.06Å; R681-R685 WeakPolarHBondContact O-CD 3.41Å; R681-R685 VanDerWaalsContact O-CG 3.25Å; R681-R685 WeakPolarHBondContact O-CG 3.46Å; R681-R685 PolarHBondContact O-N 2.97Å
682A97.4Very high96.8Very high9 Ų958.5 Ų58.57%0.07428%0.279CS..Hα-helixtrans-71.4-43.5170.900000112.1V634 A638 M678 T679 R684 R685 N686V634-A682 HydrophobicContact CG1-CB 3.96Å; A638-A682 HydrophobicContact CB-CB 3.84Å; M678-A682 VanDerWaalsContact O-CB 3.31Å; M678-A682 WeakPolarHBondContact O-CB 3.5Å; M678-A682 PolarHBondContact O-N 3.04Å; T679-A682 PolarHBondContact O-N 2.78Å; A682-R684 PolarHBondContact O-N 3.27Å; A682-R685 PolarHBondContact O-N 2.92Å; A682-R685 VanDerWaalsContact O-N 3.16Å; A682-N686 WeakPolarHBondContact O-CB 2.97Å; A682-N686 VanDerWaalsContact O-CG 3.26Å; A682-N686 PolarHBondContact O-N 3.19Å
683L97.8Very high96.8Very high0 Ų058.9 Ų58.90%028%0.281CS..Hα-helixtrans-56.2-50.9173.5-177.678000111A638 L641 H642 I645 T679 W680 R685 N686 H687 A691A638-L683 HydrophobicContact CB-CB 4.49Å; L641-L683 HydrophobicContact CD2-CB 4.33Å; L641-L683 HydrophobicContact CD2-CD2 3.96Å; L641-L683 HydrophobicContact CG-CD2 4.21Å; H642-L683 HydrophobicContact CB-CD1 3.72Å; I645-L683 HydrophobicContact CD1-CD2 3.63Å; T679-L683 PolarHBondContact O-N 2.69Å; W680-L683 HydrophobicContact CE3-CD2 3.8Å; W680-L683 HydrophobicContact CZ3-CD2 3.81Å; L683-R685 PolarHBondContact O-N 3.22Å; L683-N686 PolarHBondContact O-N 2.78Å; L683-H687 HydrophobicContact CD1-CB 4.17Å; L683-H687 CarbonylContact O-C 3.57Å; L683-H687 VanDerWaalsContact O-C 3.29Å; L683-H687 WeakPolarHBondContact O-CA 3.4Å; L683-H687 PolarHBondContact O-N 2.63Å; L683-A691 HydrophobicContact CD2-CB 4.13Å; L683-A691 HydrophobicContact CG-CB 4.33Å
684R97.7Very high96.8Very high114 Ų11458.9 Ų58.943%0.4328%0.281SS..Hα-helixtrans-62.6-20.9179.4-71.3170.3-171.9130.71.6114W680 A682 T688 A691 E695W680-R684 WeakPolarHBondContact O-CB 3.32Å; W680-R684 VanDerWaalsContact O-CG 3.25Å; W680-R684 WeakPolarHBondContact O-CG 3.27Å; W680-R684 PolarHBondContact O-N 3.25Å; A682-R684 PolarHBondContact O-N 3.27Å; R684-T688 WeakPolarHBondContact O-CG2 3.23Å; R684-A691 HydrophobicContact CB-CB 4.49Å; R684-A691 HydrophobicContact CG-CB 3.72Å; R684-E695 IonicContact NH2-OE1 2.72Å; R684-E695 PolarHBondContact NH2-OE1 2.61Å
685R96.3Very high96.9Very high199 Ų19958.1 Ų58.175%0.75127%0.273SS*.Hα-helixtrans-90.9-41.4176.5-75.3171.6178.1177.8-1113R681 A682 L683R681-R685 WeakPolarHBondContact O-CD 3.41Å; R681-R685 VanDerWaalsContact O-CG 3.25Å; R681-R685 WeakPolarHBondContact O-CG 3.46Å; R681-R685 PolarHBondContact O-N 2.97Å; A682-R685 PolarHBondContact O-N 2.92Å; A682-R685 VanDerWaalsContact O-N 3.16Å; L683-R685 PolarHBondContact O-N 3.22Å
686N96.1Very high96.9Very high78 Ų7862 Ų6242%0.41729%0.292SS..Hα-helixtrans-91-28-172.5-57.6-9000112.2N635 A682 L683N635-N686 PolarHBondContact OD1-ND2 3.2Å; N635-N686 VanDerWaalsContact OD1-ND2 3.12Å; A682-N686 WeakPolarHBondContact O-CB 2.97Å; A682-N686 VanDerWaalsContact O-CG 3.26Å; A682-N686 PolarHBondContact O-N 3.19Å; L683-N686 PolarHBondContact O-N 2.78Å
687H96.6Very high96.9Very high51 Ų5167.9 Ų67.924%0.23632%0.318CS..  trans-141.460.3-173.3-53.8-67.9000110.8M639 H642 L683 D689 C690 A691M639-H687 WeakPolarHBondContact CE-CE1 3.34Å; M639-H687 WeakPolarHBondContact CE-NE2 3.49Å; H642-H687 AromaticContact CD2-CG 3.45Å; H642-H687 VanDerWaalsContact CD2-CG 3.45Å; H642-H687 AromaticContact CD2-ND1 3.76Å; H642-H687 AromaticContact CG-CG 3.96Å; H642-H687 AromaticContact NE2-CG 3.86Å; H642-H687 AromaticContact NE2-ND1 3.67Å; L683-H687 HydrophobicContact CD1-CB 4.17Å; L683-H687 CarbonylContact O-C 3.57Å; L683-H687 VanDerWaalsContact O-C 3.29Å; L683-H687 WeakPolarHBondContact O-CA 3.4Å; L683-H687 PolarHBondContact O-N 2.63Å; H687-D689 PolarHBondContact O-N 2.81Å; H687-C690 HydrophobicContact CB-CB 4Å; H687-C690 WeakPolarHBondContact O-CB 3.45Å; H687-C690 PolarHBondContact O-N 3.14Å; H687-A691 PolarHBondContact O-N 2.97Å; H687-A691 VanDerWaalsContact O-N 3.15Å
688T97.1Very high97Very high76 Ų7662.6 Ų62.647%0.46629%0.293SS..Hα-helixtrans-43.6-50179.644.70000112.7R684 C690 A691 V692R684-T688 WeakPolarHBondContact O-CG2 3.23Å; T688-C690 VanDerWaalsContact C-N 3.33Å; T688-C690 PolarHBondContact O-N 2.93Å; T688-A691 PolarHBondContact O-N 2.84Å; T688-V692 WeakPolarHBondContact O-CG2 3.28Å; T688-V692 PolarHBondContact O-N 3.33Å
689D97Very high97Very high130 Ų13061.2 Ų61.270%0.69528%0.283SS*.Hα-helixtrans-73.5-30.5-168.1-55.11000111.3H687 L693H687-D689 PolarHBondContact O-N 2.81Å; D689-L693 WeakPolarHBondContact O-CB 3.42Å; D689-L693 PolarHBondContact O-N 2.95Å
690C97.1Very high96.9Very high8 Ų864 Ų645%0.05430%0.301CS..Hα-helixtrans-70-41.8172.8-178.30000111.5H642 I645 H687 T688 L693 Y694H642-C690 PolarHBondContact CD2-SG 2.58Å; I645-C690 WeakPolarHBondContact CG2-SG 3.39Å; H687-C690 HydrophobicContact CB-CB 4Å; H687-C690 WeakPolarHBondContact O-CB 3.45Å; H687-C690 PolarHBondContact O-N 3.14Å; T688-C690 VanDerWaalsContact C-N 3.33Å; T688-C690 PolarHBondContact O-N 2.93Å; C690-L693 WeakPolarHBondContact O-CB 3.28Å; C690-L693 PolarHBondContact O-N 3.11Å; C690-Y694 PolarHBondContact O-N 2.72Å
691A96.9Very high96.9Very high7 Ų764.8 Ų64.86%0.05830%0.304CS..Hα-helixtrans-65.4-38.7173.600000111.9L683 R684 H687 T688 E695L683-A691 HydrophobicContact CD2-CB 4.13Å; L683-A691 HydrophobicContact CG-CB 4.33Å; R684-A691 HydrophobicContact CB-CB 4.49Å; R684-A691 HydrophobicContact CG-CB 3.72Å; H687-A691 PolarHBondContact O-N 2.97Å; H687-A691 VanDerWaalsContact O-N 3.15Å; T688-A691 PolarHBondContact O-N 2.84Å; A691-E695 VanDerWaalsContact O-CG 3.29Å; A691-E695 WeakPolarHBondContact O-CG 3.43Å; A691-E695 PolarHBondContact O-N 3.37Å; A691-E695 VanDerWaalsContact O-N 3.07Å
692V97.7Very high96.8Very high88 Ų8860.8 Ų60.853%0.53329%0.29SS..Hα-helixtrans-67.4-41.8174.2172.20000111.5T688 Y694 E695 K696T688-V692 WeakPolarHBondContact O-CG2 3.28Å; T688-V692 PolarHBondContact O-N 3.33Å; V692-Y694 PolarHBondContact O-N 3.35Å; V692-E695 PolarHBondContact O-N 3.47Å; V692-K696 HydrophobicContact CG1-CB 4.37Å; V692-K696 HydrophobicContact CG1-CG 4.19Å; V692-K696 WeakPolarHBondContact O-CA 3.35Å; V692-K696 VanDerWaalsContact O-CB 3.24Å; V692-K696 WeakPolarHBondContact O-CB 3.38Å; V692-K696 PolarHBondContact O-N 2.75Å
693L97.6Very high96.5Very high17 Ų1764.4 Ų64.49%0.08931%0.308CS..Hα-helixtrans-54.4-49.3173.3165.667.6000111.4I645 Q649 D689 C690 K697 L698I645-L693 HydrophobicContact CG2-CD2 4.19Å; Q649-L693 HydrophobicContact CB-CD2 4.21Å; Q649-L693 HydrophobicContact CG-CD1 4.32Å; Q649-L693 HydrophobicContact CG-CD2 4.29Å; Q649-L693 VanDerWaalsContact OE1-CD2 3.24Å; D689-L693 WeakPolarHBondContact O-CB 3.42Å; D689-L693 PolarHBondContact O-N 2.95Å; C690-L693 WeakPolarHBondContact O-CB 3.28Å; C690-L693 PolarHBondContact O-N 3.11Å; L693-K697 HydrophobicContact CD1-CB 4.25Å; L693-K697 HydrophobicContact CD1-CD 3.93Å; L693-K697 WeakPolarHBondContact O-CA 3.16Å; L693-K697 WeakPolarHBondContact O-CB 3.35Å; L693-K697 PolarHBondContact O-N 3.22Å; L693-L698 HydrophobicContact CD1-CD2 4.21Å; L693-L698 HydrophobicContact CD1-CG 4.17Å; L693-L698 HydrophobicContact CG-CD1 4.19Å; L693-L698 HydrophobicContact CG-CG 4.2Å; L693-L698 PolarHBondContact O-N 3.35Å
694Y97.6Very high96.2Very high0 Ų065.7 Ų65.70%032%0.317CS..Iπ-helixtrans-60.5-59.4176.9173.3-117.3000112.1I645 M665 L668 D669 W680 C690 V692 K696 L698 R699I645-Y694 HydrophobicContact CD1-CG 4.3Å; I645-Y694 HydrophobicContact CG1-CD2 4.49Å; I645-Y694 HydrophobicContact CG1-CG 4.5Å; M665-Y694 HydrophobicContact CE-CD2 4.03Å; M665-Y694 HydrophobicContact CE-CE2 3.65Å; M665-Y694 HydrophobicContact SD-CD2 4.37Å; M665-Y694 HydrophobicContact SD-CE2 4.26Å; L668-Y694 HydrophobicContact CB-CE2 3.87Å; L668-Y694 WeakPolarHBondContact CB-OH 3.38Å; L668-Y694 HydrophobicContact CD1-CD2 3.95Å; L668-Y694 HydrophobicContact CD1-CE2 3.64Å; L668-Y694 HydrophobicContact CG-CE2 4.37Å; D669-Y694 PolarHBondContact OD1-OH 3.05Å; W680-Y694 AromaticContact CH2-CD1 3.88Å; W680-Y694 HydrophobicContact CH2-CD1 3.88Å; W680-Y694 AromaticContact CH2-CE1 3.34Å; W680-Y694 HydrophobicContact CH2-CE1 3.34Å; W680-Y694 AromaticContact CH2-CZ 3.77Å; W680-Y694 HydrophobicContact CZ2-CE1 4.31Å; W680-Y694 AromaticContact CZ3-CD1 3.65Å; W680-Y694 HydrophobicContact CZ3-CD1 3.65Å; W680-Y694 AromaticContact CZ3-CE1 3.53Å; W680-Y694 HydrophobicContact CZ3-CE1 3.53Å; C690-Y694 PolarHBondContact O-N 2.72Å; V692-Y694 PolarHBondContact O-N 3.35Å; Y694-K696 PolarHBondContact O-N 3.3Å; Y694-L698 PolarHBondContact O-N 3.31Å; Y694-R699 VanDerWaalsContact CE1-NH2 3.32Å; Y694-R699 PolarHBondContact O-N 3.49Å; Y694-R699 PolarHBondContact OH-NH2 2.99Å
695E96.7Very high95.9Very high53 Ų5360.8 Ų60.825%0.24830%0.299CS..Iπ-helixtrans-73.6-24.3-171.2-55.8-80-152.200113.7R684 A691 V692 R699R684-E695 IonicContact NH2-OE1 2.72Å; R684-E695 PolarHBondContact NH2-OE1 2.61Å; A691-E695 VanDerWaalsContact O-CG 3.29Å; A691-E695 WeakPolarHBondContact O-CG 3.43Å; A691-E695 PolarHBondContact O-N 3.37Å; A691-E695 VanDerWaalsContact O-N 3.07Å; V692-E695 PolarHBondContact O-N 3.47Å; E695-R699 IonicContact OE2-CZ 3.08Å; E695-R699 VanDerWaalsContact OE2-CZ 3.31Å; E695-R699 IonicContact OE2-NE 2.59Å; E695-R699 PolarHBondContact OE2-NE 3.26Å; E695-R699 IonicContact OE2-NH2 2.78Å; E695-R699 PolarHBondContact OE2-NH2 2.84Å
696K96.6Very high95.5Very high159 Ų15955 Ų5569%0.69128%0.283SS*.Iπ-helixtrans-113.1-10.7-175-58.4-59.2-174.1-174.20115.4V692 Y694V692-K696 HydrophobicContact CG1-CB 4.37Å; V692-K696 HydrophobicContact CG1-CG 4.19Å; V692-K696 WeakPolarHBondContact O-CA 3.35Å; V692-K696 VanDerWaalsContact O-CB 3.24Å; V692-K696 WeakPolarHBondContact O-CB 3.38Å; V692-K696 PolarHBondContact O-N 2.75Å; Y694-K696 PolarHBondContact O-N 3.3Å
697K95.7Very high94.9Very high126 Ų12655.9 Ų55.955%0.54829%0.285SS..Iπ-helixtrans-126.5-52.2174.9-60-179.7176.9178.50112.8L693 F701L693-K697 HydrophobicContact CD1-CB 4.25Å; L693-K697 HydrophobicContact CD1-CD 3.93Å; L693-K697 WeakPolarHBondContact O-CA 3.16Å; L693-K697 WeakPolarHBondContact O-CB 3.35Å; L693-K697 PolarHBondContact O-N 3.22Å; K697-F701 WeakPolarHBondContact O-CB 3.26Å; K697-F701 PolarHBondContact O-N 2.94Å
698L97.1Very high94.2Very high0 Ų053.9 Ų53.90%028%0.278CS..Iπ-helixtrans-74.6-48.7-172-54.7-176.3000112.4I645 A648 K652 F661 M665 L693 Y694 F701 M702I645-L698 HydrophobicContact CG2-CD1 4.01Å; A648-L698 HydrophobicContact CB-CD1 3.99Å; K652-L698 HydrophobicContact CD-CD2 3.6Å; F661-L698 HydrophobicContact CE2-CB 4.4Å; F661-L698 HydrophobicContact CE2-CD2 4.18Å; F661-L698 HydrophobicContact CZ-CB 4.4Å; M665-L698 HydrophobicContact CE-CB 3.97Å; M665-L698 HydrophobicContact SD-CB 3.81Å; M665-L698 HydrophobicContact SD-CD1 4.48Å; L693-L698 HydrophobicContact CD1-CD2 4.21Å; L693-L698 HydrophobicContact CD1-CG 4.17Å; L693-L698 HydrophobicContact CG-CD1 4.19Å; L693-L698 HydrophobicContact CG-CG 4.2Å; L693-L698 PolarHBondContact O-N 3.35Å; Y694-L698 PolarHBondContact O-N 3.31Å; L698-F701 PolarHBondContact O-N 3.2Å; L698-M702 WeakPolarHBondContact O-CB 3.4Å; L698-M702 PolarHBondContact O-N 3.4Å
699R96.3Very high93.4Very high66 Ų6653.1 Ų53.125%0.24927%0.271CS..Hα-helixtrans-60.3-50.3177.4-178.3-160.2-61.4-72.85.8112.3M665 D669 Y694 E695 F701 M702 N703M665-R699 HydrophobicContact CE-CB 4.27Å; D669-R699 VanDerWaalsContact CG-NH1 3.3Å; D669-R699 IonicContact OD1-CZ 3.35Å; D669-R699 IonicContact OD1-NH1 3.89Å; D669-R699 PolarHBondContact OD1-NH1 3.1Å; D669-R699 IonicContact OD1-NH2 3.78Å; D669-R699 IonicContact OD2-NH1 2.8Å; D669-R699 PolarHBondContact OD2-NH1 2.95Å; Y694-R699 VanDerWaalsContact CE1-NH2 3.32Å; Y694-R699 PolarHBondContact O-N 3.49Å; Y694-R699 PolarHBondContact OH-NH2 2.99Å; E695-R699 IonicContact OE2-CZ 3.08Å; E695-R699 VanDerWaalsContact OE2-CZ 3.31Å; E695-R699 IonicContact OE2-NE 2.59Å; E695-R699 PolarHBondContact OE2-NE 3.26Å; E695-R699 IonicContact OE2-NH2 2.78Å; E695-R699 PolarHBondContact OE2-NH2 2.84Å; R699-F701 VanDerWaalsContact C-N 3.32Å; R699-F701 PolarHBondContact O-N 3.01Å; R699-M702 PolarHBondContact O-N 3.45Å; R699-N703 PolarHBondContact O-N 3.47Å; R699-N703 PolarHBondContact O-OD1 3.45Å
700P96.1Very high92.5Very high59 Ų5950.7 Ų50.738%0.38326%0.259SS..Hα-helixtrans-61.9-37.1177.6-2435.7000113.5N703 S704P700-N703 PolarHBondContact O-N 3.01Å; P700-S704 PolarHBondContact O-N 3.03Å; P700-S704 VanDerWaalsContact O-N 3.16Å
701F95.9Very high91.8Very high26 Ų2654.5 Ų54.511%0.11429%0.285CS..Hα-helixtrans-65.9-40.6175.5174.5-103.9000112.1K652 L658 F661 K697 L698 R699 N703 S704 L705 V712K652-F701 HydrophobicContact CD-CD1 3.62Å; K652-F701 HydrophobicContact CD-CE1 3.7Å; K652-F701 HydrophobicContact CD-CG 4.29Å; K652-F701 HydrophobicContact CD-CZ 4.42Å; K652-F701 VanDerWaalsContact CE-CD1 3.43Å; K652-F701 HydrophobicContact CG-CD1 4.15Å; K652-F701 HydrophobicContact CG-CE1 3.68Å; K652-F701 HydrophobicContact CG-CZ 4.2Å; L658-F701 HydrophobicContact CD2-CE1 4.18Å; L658-F701 HydrophobicContact CD2-CZ 4.05Å; F661-F701 HydrophobicContact CD1-CD1 4.42Å; F661-F701 HydrophobicContact CD1-CE1 4.12Å; F661-F701 AromaticContact CE1-CD1 3.52Å; F661-F701 HydrophobicContact CE1-CD1 3.52Å; F661-F701 AromaticContact CE1-CE1 3.66Å; F661-F701 HydrophobicContact CE1-CE1 3.66Å; F661-F701 AromaticContact CZ-CD1 3.71Å; F661-F701 HydrophobicContact CZ-CD1 3.71Å; F661-F701 HydrophobicContact CZ-CE1 4.15Å; K697-F701 WeakPolarHBondContact O-CB 3.26Å; K697-F701 PolarHBondContact O-N 2.94Å; L698-F701 PolarHBondContact O-N 3.2Å; R699-F701 VanDerWaalsContact C-N 3.32Å; R699-F701 PolarHBondContact O-N 3.01Å; F701-N703 VanDerWaalsContact C-N 3.34Å; F701-N703 PolarHBondContact O-N 3.23Å; F701-S704 PolarHBondContact O-N 2.92Å; F701-L705 HydrophobicContact CD1-CD1 4.06Å; F701-L705 HydrophobicContact CD1-CG 4.47Å; F701-L705 HydrophobicContact CE1-CD1 3.56Å; F701-L705 HydrophobicContact CE1-CG 4.14Å; F701-L705 HydrophobicContact CE2-CG 4.5Å; F701-L705 HydrophobicContact CZ-CD1 3.95Å; F701-L705 HydrophobicContact CZ-CD2 4.24Å; F701-L705 HydrophobicContact CZ-CG 4.15Å; F701-L705 WeakPolarHBondContact O-CG 3.38Å; F701-L705 PolarHBondContact O-N 2.75Å; F701-V712 HydrophobicContact CD2-CB 4.21Å; F701-V712 HydrophobicContact CD2-CG2 3.76Å; F701-V712 HydrophobicContact CE2-CB 4.36Å; F701-V712 HydrophobicContact CE2-CG2 3.79Å
702M95.2Very high91.2Very high11 Ų1156.3 Ų56.35%0.05430%0.295CS..Hα-helixtrans-62.1-40.7174.9-171.565-124.300112F661 M665 L698 R699 L705 N706F661-M702 HydrophobicContact CD1-SD 4.09Å; F661-M702 HydrophobicContact CE1-CB 4.24Å; F661-M702 HydrophobicContact CE1-SD 3.7Å; F661-M702 HydrophobicContact CZ-CB 4.47Å; M665-M702 HydrophobicContact CB-CB 4.45Å; M665-M702 HydrophobicContact CB-CG 3.84Å; M665-M702 HydrophobicContact CB-SD 3.86Å; M665-M702 HydrophobicContact CE-CB 4.14Å; M665-M702 HydrophobicContact CG-CB 4.32Å; M665-M702 HydrophobicContact CG-CG 4.18Å; M665-M702 HydrophobicContact CG-SD 4.09Å; L698-M702 WeakPolarHBondContact O-CB 3.4Å; L698-M702 PolarHBondContact O-N 3.4Å; R699-M702 PolarHBondContact O-N 3.45Å; M702-L705 HydrophobicContact CE-CB 4.3Å; M702-L705 PolarHBondContact O-N 3.23Å; M702-L705 HydrophobicContact SD-CD1 4.49Å; M702-N706 WeakPolarHBondContact CE-OD1 3.45Å; M702-N706 PolarHBondContact O-N 2.82Å; M702-N706 VanDerWaalsContact O-N 3.11Å
703N91.6Very high90.6Very high84 Ų8453.4 Ų53.445%0.44928%0.278SS..Hα-helixtrans-60.8-49.6175.5-68.814.9000111R699 P700 F701 L705 N706 E707R699-N703 PolarHBondContact O-N 3.47Å; R699-N703 PolarHBondContact O-OD1 3.45Å; P700-N703 PolarHBondContact O-N 3.01Å; F701-N703 VanDerWaalsContact C-N 3.34Å; F701-N703 PolarHBondContact O-N 3.23Å; N703-L705 VanDerWaalsContact C-N 3.29Å; N703-L705 PolarHBondContact O-N 2.98Å; N703-N706 PolarHBondContact O-N 3.01Å; N703-E707 WeakPolarHBondContact O-CG 3.31Å; N703-E707 PolarHBondContact O-N 3.05Å
704S91.4Very high89.9Confident27 Ų2762.4 Ų62.419%0.18931%0.31CS..Hα-helixtrans-68.2-23.4178.2-66.70000114.6P700 F701 E707 N709P700-S704 PolarHBondContact O-N 3.03Å; P700-S704 VanDerWaalsContact O-N 3.16Å; F701-S704 PolarHBondContact O-N 2.92Å; S704-E707 WeakPolarHBondContact CA-OE2 3.43Å; S704-E707 PolarHBondContact OG-OE2 2.95Å; S704-N709 VanDerWaalsContact O-CB 3.32Å; S704-N709 WeakPolarHBondContact O-CB 3.36Å; S704-N709 PolarHBondContact O-N 2.79Å
705L90.6Very high89.3Confident11 Ų1164.7 Ų64.76%0.05833%0.334CS..Hα-helixtrans-66.3-42.1167-77-179.7000111.9L658 F661 F701 M702 N703 E707 G708 V713 H721L658-L705 HydrophobicContact CD1-CD2 4.23Å; L658-L705 HydrophobicContact CD2-CD1 4.41Å; F661-L705 HydrophobicContact CD1-CD1 4.01Å; F661-L705 HydrophobicContact CE1-CD1 3.95Å; F701-L705 HydrophobicContact CD1-CD1 4.06Å; F701-L705 HydrophobicContact CD1-CG 4.47Å; F701-L705 HydrophobicContact CE1-CD1 3.56Å; F701-L705 HydrophobicContact CE1-CG 4.14Å; F701-L705 HydrophobicContact CE2-CG 4.5Å; F701-L705 HydrophobicContact CZ-CD1 3.95Å; F701-L705 HydrophobicContact CZ-CD2 4.24Å; F701-L705 HydrophobicContact CZ-CG 4.15Å; F701-L705 WeakPolarHBondContact O-CG 3.38Å; F701-L705 PolarHBondContact O-N 2.75Å; M702-L705 HydrophobicContact CE-CB 4.3Å; M702-L705 PolarHBondContact O-N 3.23Å; M702-L705 HydrophobicContact SD-CD1 4.49Å; N703-L705 VanDerWaalsContact C-N 3.29Å; N703-L705 PolarHBondContact O-N 2.98Å; L705-E707 VanDerWaalsContact C-N 3.29Å; L705-E707 PolarHBondContact O-N 3.43Å; L705-G708 PolarHBondContact O-N 3.35Å; L705-G708 VanDerWaalsContact O-N 3.12Å; L705-V713 HydrophobicContact CD2-CG2 3.62Å; L705-H721 HydrophobicContact CD2-CB 4.43Å; L705-H721 PolarHBondContact O-CD2 3.37Å
706N88Confident89.1Confident78 Ų7865 Ų6542%0.41734%0.341SS..Hα-helixtrans-69.4-27.6176.9-70.4-19.8000112.6M702 N703 G708 H721M702-N706 WeakPolarHBondContact CE-OD1 3.45Å; M702-N706 PolarHBondContact O-N 2.82Å; M702-N706 VanDerWaalsContact O-N 3.11Å; N703-N706 PolarHBondContact O-N 3.01Å; N706-G708 PolarHBondContact O-N 2.98Å; N706-H721 PolarHBondContact OD1-NE2 3.34Å
707E84.7Confident89Confident96 Ų9659.1 Ų59.145%0.44932%0.316SS..THydrogen-bonded Turntrans-70.5-3.8170.5-66.4169.4162.300113.6N703 S704 L705 N709N703-E707 WeakPolarHBondContact O-CG 3.31Å; N703-E707 PolarHBondContact O-N 3.05Å; S704-E707 WeakPolarHBondContact CA-OE2 3.43Å; S704-E707 PolarHBondContact OG-OE2 2.95Å; L705-E707 VanDerWaalsContact C-N 3.29Å; L705-E707 PolarHBondContact O-N 3.43Å; E707-N709 VanDerWaalsContact C-N 3.3Å; E707-N709 PolarHBondContact O-N 3.49Å
708G80.9Confident89Confident10 Ų1053.1 Ų53.110%0.10329%0.29CS..THydrogen-bonded Turntrans7612.6-177.100000114.5L705 N706 D710L705-G708 PolarHBondContact O-N 3.35Å; L705-G708 VanDerWaalsContact O-N 3.12Å; N706-G708 PolarHBondContact O-N 2.98Å; G708-D710 PolarHBondContact O-N 2.84Å
709N81.4Confident88.9Confident59 Ų5953.1 Ų53.132%0.31629%0.291SS..  trans-81.480.1-170.6-174.2-3.8000112.6S704 E707 S711 V712S704-N709 VanDerWaalsContact O-CB 3.32Å; S704-N709 WeakPolarHBondContact O-CB 3.36Å; S704-N709 PolarHBondContact O-N 2.79Å; E707-N709 VanDerWaalsContact C-N 3.3Å; E707-N709 PolarHBondContact O-N 3.49Å; N709-S711 PolarHBondContact O-N 3.06Å; N709-S711 WeakPolarHBondContact OD1-CB 3.46Å; N709-S711 PolarHBondContact OD1-N 2.84Å; N709-S711 PolarHBondContact OD1-OG 3.18Å; N709-V712 WeakPolarHBondContact O-CG2 3.39Å; N709-V712 PolarHBondContact O-N 3.15Å
710D78Confident88.9Confident80 Ų8050.4 Ų50.443%0.42828%0.281SS..G310 helixtrans-49.6-24.9176.9-80.4-11.6000114G708 V712 V713 S751G708-D710 PolarHBondContact O-N 2.84Å; D710-V712 VanDerWaalsContact C-N 3.27Å; D710-V712 PolarHBondContact O-N 3.1Å; D710-V713 WeakPolarHBondContact O-CB 3.22Å; D710-V713 PolarHBondContact O-N 3.25Å; D710-S751 WeakPolarHBondContact OD1-CB 3.28Å; D710-S751 PolarHBondContact OD1-OG 3.11Å; D710-S751 WeakPolarHBondContact OD2-CB 3.45Å; D710-S751 PolarHBondContact OD2-OG 2.97Å
711S82Confident88.8Confident88 Ų8849 Ų4962%0.61527%0.269SS*.G310 helixtrans-67.4-19.8-177.181.50000115N709 V713N709-S711 PolarHBondContact O-N 3.06Å; N709-S711 WeakPolarHBondContact OD1-CB 3.46Å; N709-S711 PolarHBondContact OD1-N 2.84Å; N709-S711 PolarHBondContact OD1-OG 3.18Å; S711-V713 VanDerWaalsContact C-N 3.3Å
712V84.6Confident88.8Confident44 Ų4448 Ų4827%0.26727%0.266SS..G310 helixtrans-79.1-17173.2-54.70000112.4F701 N709 D710F701-V712 HydrophobicContact CD2-CB 4.21Å; F701-V712 HydrophobicContact CD2-CG2 3.76Å; F701-V712 HydrophobicContact CE2-CB 4.36Å; F701-V712 HydrophobicContact CE2-CG2 3.79Å; N709-V712 WeakPolarHBondContact O-CG2 3.39Å; N709-V712 PolarHBondContact O-N 3.15Å; D710-V712 VanDerWaalsContact C-N 3.27Å; D710-V712 PolarHBondContact O-N 3.1Å
713V84.9Confident88.8Confident27 Ų2748 Ų4816%0.16427%0.266CS..  trans-82.2132.3-176.6-167.90000110.2L658 L705 D710 S711 I717L658-V713 HydrophobicContact CD1-CG1 3.79Å; L658-V713 HydrophobicContact CD1-CG2 4.31Å; L705-V713 HydrophobicContact CD2-CG2 3.62Å; D710-V713 WeakPolarHBondContact O-CB 3.22Å; D710-V713 PolarHBondContact O-N 3.25Å; S711-V713 VanDerWaalsContact C-N 3.3Å; V713-I717 HydrophobicContact CG1-CD1 3.49Å; V713-I717 VanDerWaalsContact CG1-CD1 3.49Å; V713-I717 HydrophobicContact CG1-CG1 3.78Å
714R82.4Confident88.8Confident206 Ų20644.5 Ų44.578%0.77725%0.248SC*.  trans-144.7140.5-177.8-58.9-176.7-174.1-178.71.4110.3Y656Y656-R714 VanDerWaalsContact CE1-O 3.3Å; Y656-R714 WeakPolarHBondContact CE1-O 3.41Å
715G85.3Confident89Confident48 Ų4843.6 Ų43.650%0.49524%0.241SC..SBendtrans106.4177.7178.900000113.6I717G715-I717 PolarHBondContact O-N 3.28Å
716P91.6Very high89.2Confident61 Ų6143 Ų4340%0.39624%0.238SC..  trans-7783.6-178.932.3-34.8000110.7Y656 A718 N765Y656-P716 WeakPolarHBondContact CB-O 3.19Å; Y656-P716 HydrophobicContact CD2-CG 4.07Å; Y656-P716 HydrophobicContact CE2-CG 4.08Å; P716-A718 PolarHBondContact O-N 2.82Å; P716-N765 VanDerWaalsContact C-ND2 3.33Å; P716-N765 HydrophobicContact CB-CB 4.23Å
717I94.7Very high89.5Confident34 Ų3441.2 Ų41.217%0.17423%0.227CC..  trans-55.4124.9-179.6-46.4166.7000110.1L658 V713 G715 V719 Y762 N765L658-I717 HydrophobicContact CD1-CG2 4.15Å; L658-I717 HydrophobicContact CG-CG2 4.39Å; V713-I717 HydrophobicContact CG1-CD1 3.49Å; V713-I717 VanDerWaalsContact CG1-CD1 3.49Å; V713-I717 HydrophobicContact CG1-CG1 3.78Å; G715-I717 PolarHBondContact O-N 3.28Å; I717-V719 WeakPolarHBondContact CG2-O 3.27Å; I717-Y762 HydrophobicContact CB-CD1 4.03Å; I717-Y762 HydrophobicContact CB-CE1 3.75Å; I717-Y762 HydrophobicContact CD1-CE1 4.31Å; I717-Y762 HydrophobicContact CG2-CD1 3.93Å; I717-Y762 HydrophobicContact CG2-CE1 3.65Å; I717-Y762 WeakPolarHBondContact O-CD1 3.25Å; I717-N765 WeakPolarHBondContact O-CB 3.34Å; I717-N765 PolarHBondContact O-ND2 2.57Å
718A95.4Very high89.8Confident0 Ų038.8 Ų38.80%022%0.217CC..SBendtrans-96.4-37.317700000111.5L571 V655 Y656 P716 A766 L769L571-A718 HydrophobicContact CD1-CB 3.65Å; L571-A718 HydrophobicContact CD2-CB 4.28Å; V655-A718 WeakPolarHBondContact O-CB 3.46Å; Y656-A718 PolarHBondContact O-N 2.85Å; P716-A718 PolarHBondContact O-N 2.82Å; A718-A766 HydrophobicContact CB-CB 4.15Å; A718-L769 HydrophobicContact CB-CD1 4.09Å
719V96.6Very high90.4Very high1 Ų141.2 Ų41.21%0.00623%0.227CC..BIsolated β-bridgetrans-135.8124.2171.2-168.10000109.5L571 I580 Y656 D657 L658 F659 I717L571-V719 HydrophobicContact CD1-CG2 3.63Å; I580-V719 HydrophobicContact CD1-CB 4.4Å; I580-V719 HydrophobicContact CD1-CG1 4.06Å; I580-V719 HydrophobicContact CD1-CG2 3.99Å; Y656-V719 PolarHBondContact O-N 3.36Å; D657-V719 HydrophobicContact CB-CB 4.44Å; D657-V719 HydrophobicContact CB-CG2 4.42Å; L658-V719 WeakPolarHBondContact CB-O 3.49Å; L658-V719 PolarHBondContact N-O 3.03Å; F659-V719 HydrophobicContact CB-CB 4.45Å; F659-V719 HydrophobicContact CB-CG1 3.64Å; F659-V719 HydrophobicContact CG-CG1 4.48Å; I717-V719 WeakPolarHBondContact CG2-O 3.27Å
720P95.4Very high91Very high8 Ų840.2 Ų40.25%0.05222%0.22CC..  trans-75.1169.4178.631.4-33.9000112.5L597 L722 A755 Y762L597-P720 HydrophobicContact CD2-CG 3.73Å; P720-L722 HydrophobicContact CG-CD2 3.91Å; P720-L722 HydrophobicContact CG-CG 4.21Å; P720-L722 PolarHBondContact O-N 3.23Å; P720-A755 HydrophobicContact CB-CB 4.45Å; P720-A755 HydrophobicContact CG-CB 4.13Å; P720-Y762 HydrophobicContact CB-CE1 3.88Å; P720-Y762 HydrophobicContact CG-CD1 4.37Å; P720-Y762 HydrophobicContact CG-CE1 4.04Å
721H94.8Very high91.4Very high29 Ų2939.9 Ų39.913%0.13424%0.235CC..  trans-77.689.3175.5-175.537.7000110.7L658 S662 L705 N706 P724L658-H721 HydrophobicContact CB-CB 4.1Å; S662-H721 VanDerWaalsContact CB-CE1 3.48Å; S662-H721 WeakPolarHBondContact CB-CE1 3.21Å; L705-H721 HydrophobicContact CD2-CB 4.43Å; L705-H721 PolarHBondContact O-CD2 3.37Å; N706-H721 PolarHBondContact OD1-NE2 3.34Å; H721-P724 WeakPolarHBondContact NE2-CD 3.38Å
722L94.6Very high91.5Very high7 Ų740.1 Ų40.14%0.03723%0.227CC..  trans-77.4-27.4-174.2-66.6173.9000113.9L597 L612 F659 P720 L725 L726L597-L722 HydrophobicContact CD2-CD1 4.12Å; L597-L722 HydrophobicContact CD2-CD2 3.96Å; L612-L722 HydrophobicContact CD1-CD1 4.13Å; F659-L722 HydrophobicContact CD2-CB 4.38Å; P720-L722 HydrophobicContact CG-CD2 3.91Å; P720-L722 HydrophobicContact CG-CG 4.21Å; P720-L722 PolarHBondContact O-N 3.23Å; L722-L725 WeakPolarHBondContact O-CB 3.46Å; L722-L725 PolarHBondContact O-N 2.72Å; L722-L726 HydrophobicContact CB-CD1 3.93Å; L722-L726 HydrophobicContact CB-CD2 4.47Å; L722-L726 HydrophobicContact CB-CG 3.99Å; L722-L726 WeakPolarHBondContact O-CG 3.42Å; L722-L726 PolarHBondContact O-N 3.46Å
723V95.3Very high90.9Very high10 Ų1043.1 Ų43.16%0.06124%0.241CC..Hα-helixtrans-54.9-44.4-161.4-172.80000115H616 F659 L725 L726 M727H616-V723 WeakPolarHBondContact CD2-CG2 3.32Å; H616-V723 WeakPolarHBondContact NE2-CG2 3.45Å; F659-V723 HydrophobicContact CD2-CG2 4.29Å; V723-L725 VanDerWaalsContact C-N 3.33Å; V723-L725 PolarHBondContact O-N 3.06Å; V723-L726 PolarHBondContact O-N 3.33Å; V723-L726 VanDerWaalsContact O-N 3.17Å; V723-M727 HydrophobicContact CG1-CG 4.33Å; V723-M727 HydrophobicContact CG1-SD 3.97Å; V723-M727 WeakPolarHBondContact O-CG 3.43Å; V723-M727 PolarHBondContact O-N 3.1Å
724P93.1Very high89.9Confident10 Ų1044.2 Ų44.27%0.06525%0.249CC..Hα-helixtrans-63.4-38.2179.7-21.735000112.4H721 L728 V748H721-P724 WeakPolarHBondContact NE2-CD 3.38Å; P724-L728 WeakPolarHBondContact O-CB 3.28Å; P724-L728 PolarHBondContact O-N 3.44Å; P724-L728 VanDerWaalsContact O-N 3.1Å; P724-V748 HydrophobicContact CB-CG1 3.95Å; P724-V748 HydrophobicContact CB-CG2 3.88Å
725L94.1Very high89Confident8 Ų835.7 Ų35.74%0.04222%0.219CC..Hα-helixtrans-64.6-44.9173177.374.1000111.3V600 T601 L722 V723 L728 M729 V748 L749 A752V600-L725 HydrophobicContact CG2-CD2 4.26Å; T601-L725 HydrophobicContact CG2-CD2 4.36Å; L722-L725 WeakPolarHBondContact O-CB 3.46Å; L722-L725 PolarHBondContact O-N 2.72Å; V723-L725 VanDerWaalsContact C-N 3.33Å; V723-L725 PolarHBondContact O-N 3.06Å; L725-L728 PolarHBondContact O-N 3.3Å; L725-M729 HydrophobicContact CD1-CG 3.89Å; L725-M729 HydrophobicContact CD1-SD 3.64Å; L725-M729 HydrophobicContact CD2-SD 4.39Å; L725-M729 HydrophobicContact CG-CG 4.27Å; L725-M729 HydrophobicContact CG-SD 3.89Å; L725-M729 WeakPolarHBondContact O-CB 3.37Å; L725-M729 WeakPolarHBondContact O-CG 3.15Å; L725-M729 PolarHBondContact O-N 2.69Å; L725-V748 HydrophobicContact CB-CG1 4.25Å; L725-L749 HydrophobicContact CD1-CD2 4.15Å; L725-A752 HydrophobicContact CB-CB 4.4Å; L725-A752 HydrophobicContact CD1-CB 3.53Å; L725-A752 HydrophobicContact CD2-CB 3.49Å; L725-A752 VanDerWaalsContact CD2-CB 3.49Å; L725-A752 HydrophobicContact CG-CB 3.97Å
726L95.9Very high88Confident0 Ų040.2 Ų40.20%023%0.228CC..Hα-helixtrans-62-45.4-177.4-61.3-179.8000111.5V600 R609 L612 L613 F659 L722 V723 E730V600-L726 HydrophobicContact CB-CD2 4.29Å; V600-L726 HydrophobicContact CG1-CD2 4.15Å; R609-L726 HydrophobicContact CB-CD2 3.91Å; R609-L726 HydrophobicContact CG-CD2 3.63Å; L612-L726 HydrophobicContact CB-CD1 3.57Å; L612-L726 HydrophobicContact CD1-CD1 4.37Å; L612-L726 HydrophobicContact CD1-CD2 4.39Å; L613-L726 HydrophobicContact CD1-CB 4.2Å; L613-L726 HydrophobicContact CD2-CB 3.72Å; L613-L726 HydrophobicContact CD2-CD1 4.35Å; L613-L726 HydrophobicContact CG-CB 3.83Å; L613-L726 HydrophobicContact CG-CD1 4.33Å; F659-L726 HydrophobicContact CE2-CD1 4.46Å; L722-L726 HydrophobicContact CB-CD1 3.93Å; L722-L726 HydrophobicContact CB-CD2 4.47Å; L722-L726 HydrophobicContact CB-CG 3.99Å; L722-L726 WeakPolarHBondContact O-CG 3.42Å; L722-L726 PolarHBondContact O-N 3.46Å; V723-L726 PolarHBondContact O-N 3.33Å; V723-L726 VanDerWaalsContact O-N 3.17Å; L726-E730 WeakPolarHBondContact O-CB 3.48Å; L726-E730 WeakPolarHBondContact O-CG 3.41Å; L726-E730 PolarHBondContact O-N 3.36Å
727M93.5Very high86.7Confident39 Ų3945.2 Ų45.219%0.19225%0.251CS..Hα-helixtrans-61.8-53.7175.9-70.3176.263.600111L613 V723 M729 E730 G731 E732 P734L613-M727 HydrophobicContact CD2-CG 3.92Å; V723-M727 HydrophobicContact CG1-CG 4.33Å; V723-M727 HydrophobicContact CG1-SD 3.97Å; V723-M727 WeakPolarHBondContact O-CG 3.43Å; V723-M727 PolarHBondContact O-N 3.1Å; M727-M729 VanDerWaalsContact C-N 3.35Å; M727-M729 PolarHBondContact O-N 3.13Å; M727-E730 CarbonylContact O-C 3.17Å; M727-E730 PolarHBondContact O-N 3.02Å; M727-G731 PolarHBondContact O-N 2.99Å; M727-E732 CarbonylContact C-O 3.6Å; M727-E732 HydrophobicContact CB-CB 3.96Å; M727-E732 HydrophobicContact CE-CB 4.27Å; M727-E732 PolarHBondContact O-N 3.21Å; M727-E732 VanDerWaalsContact O-N 3.12Å; M727-E732 VanDerWaalsContact O-O 3.06Å; M727-P734 HydrophobicContact CB-CB 4.24Å; M727-P734 HydrophobicContact CE-CB 4.19Å; M727-P734 HydrophobicContact SD-CB 4.35Å
728L91.9Very high85.4Confident46 Ų4648.2 Ų48.224%0.24127%0.268CS..Hα-helixtrans-53.7-46.9-179.2173.567.6000113.2P724 L725 E730 G731 E732 P734 L745 V748 L749P724-L728 WeakPolarHBondContact O-CB 3.28Å; P724-L728 PolarHBondContact O-N 3.44Å; P724-L728 VanDerWaalsContact O-N 3.1Å; L725-L728 PolarHBondContact O-N 3.3Å; L728-E730 PolarHBondContact O-N 2.9Å; L728-G731 PolarHBondContact O-N 2.94Å; L728-E732 WeakPolarHBondContact CA-O 3.27Å; L728-E732 PolarHBondContact N-O 3.42Å; L728-P734 HydrophobicContact CB-CG 4.24Å; L728-L745 HydrophobicContact CD1-CD1 3.5Å; L728-L745 HydrophobicContact CD2-CD1 3.35Å; L728-L745 HydrophobicContact CG-CD1 4.05Å; L728-V748 HydrophobicContact CD2-CG1 4.49Å; L728-L749 HydrophobicContact CD2-CD1 4.48Å; L728-L749 HydrophobicContact CD2-CD2 3.81Å; L728-L749 HydrophobicContact CD2-CG 4.02Å
729M93Very high84.3Confident60 Ų6056.3 Ų56.330%0.29631%0.311SS..Hα-helixtrans-73.6-10.8-178.4-71-168.775.300113.8V600 T601 L725 M727V600-M729 WeakPolarHBondContact O-CE 3.35Å; T601-M729 WeakPolarHBondContact O-CE 3.25Å; L725-M729 HydrophobicContact CD1-CG 3.89Å; L725-M729 HydrophobicContact CD1-SD 3.64Å; L725-M729 HydrophobicContact CD2-SD 4.39Å; L725-M729 HydrophobicContact CG-CG 4.27Å; L725-M729 HydrophobicContact CG-SD 3.89Å; L725-M729 WeakPolarHBondContact O-CB 3.37Å; L725-M729 WeakPolarHBondContact O-CG 3.15Å; L725-M729 PolarHBondContact O-N 2.69Å; M727-M729 VanDerWaalsContact C-N 3.35Å; M727-M729 PolarHBondContact O-N 3.13Å
730E93.5Very high83.5Confident39 Ų3965.7 Ų65.718%0.18235%0.346CS..THydrogen-bonded Turntrans-104.84.5177.3-65.3-64.7124.400112.4H606 R609 Q610 L613 L726 M727 L728 E732H606-E730 IonicContact CE1-OE1 3.36Å; H606-E730 IonicContact CE1-OE2 3.79Å; H606-E730 PolarHBondContact CE1-OE2 2.83Å; H606-E730 IonicContact CG-OE1 3.63Å; H606-E730 IonicContact ND1-OE1 3.97Å; H606-E730 PolarHBondContact ND1-OE1 2.81Å; H606-E730 IonicContact ND1-OE2 2.63Å; H606-E730 PolarHBondContact ND1-OE2 3.3Å; R609-E730 HydrophobicContact CB-CG 4.05Å; R609-E730 IonicContact CZ-OE1 3.47Å; R609-E730 IonicContact NE-OE1 2.74Å; R609-E730 PolarHBondContact NE-OE1 3.34Å; R609-E730 IonicContact NH2-OE1 2.69Å; R609-E730 PolarHBondContact NH2-OE1 2.85Å; Q610-E730 WeakPolarHBondContact CG-OE2 3.45Å; Q610-E730 PolarHBondContact NE2-OE2 2.94Å; L613-E730 HydrophobicContact CD1-CB 4.47Å; L613-E730 HydrophobicContact CD1-CG 4.13Å; L726-E730 WeakPolarHBondContact O-CB 3.48Å; L726-E730 WeakPolarHBondContact O-CG 3.41Å; L726-E730 PolarHBondContact O-N 3.36Å; M727-E730 CarbonylContact O-C 3.17Å; M727-E730 PolarHBondContact O-N 3.02Å; L728-E730 PolarHBondContact O-N 2.9Å; E730-E732 VanDerWaalsContact C-N 3.35Å
731G87.4Confident83.1Confident72 Ų7266 Ų6674%0.74235%0.351SS*.THydrogen-bonded Turntrans83.25.817700000114.9M727 L728M727-G731 PolarHBondContact O-N 2.99Å; L728-G731 PolarHBondContact O-N 2.94Å
732E84.6Confident82.7Confident93 Ų9369.7 Ų69.744%0.43538%0.379SS..  trans-79.6127.3162.9-65.6179.1-162.700108.1M727 L728 E730 P734M727-E732 CarbonylContact C-O 3.6Å; M727-E732 HydrophobicContact CB-CB 3.96Å; M727-E732 HydrophobicContact CE-CB 4.27Å; M727-E732 PolarHBondContact O-N 3.21Å; M727-E732 VanDerWaalsContact O-N 3.12Å; M727-E732 VanDerWaalsContact O-O 3.06Å; L728-E732 WeakPolarHBondContact CA-O 3.27Å; L728-E732 PolarHBondContact N-O 3.42Å; E730-E732 VanDerWaalsContact C-N 3.35Å; E732-P734 WeakPolarHBondContact O-CD 3.4Å
733D70.4Confident82.5Confident108 Ų10874.5 Ų74.558%0.57840%0.401SS*.  trans-83.6112175.3-165.8-11.6000110V735D733-V735 VanDerWaalsContact C-N 3.26Å; D733-V735 PolarHBondContact OD1-N 3.06Å
734P63.6Low82.2Confident49 Ų4975.4 Ų75.432%0.31841%0.407SS..  trans-84.3-1.9177.836.9-35000112.4M727 L728 E732M727-P734 HydrophobicContact CB-CB 4.24Å; M727-P734 HydrophobicContact CE-CB 4.19Å; M727-P734 HydrophobicContact SD-CB 4.35Å; L728-P734 HydrophobicContact CB-CG 4.24Å; E732-P734 WeakPolarHBondContact O-CD 3.4Å
735V64.8Low82Confident27 Ų2777.8 Ų77.816%0.16442%0.419CS..SBendtrans-113124.4-170-161.40000110.4D733 V744D733-V735 VanDerWaalsContact C-N 3.26Å; D733-V735 PolarHBondContact OD1-N 3.06Å; V735-V744 HydrophobicContact CG1-CB 4.2Å; V735-V744 HydrophobicContact CG1-CG1 4.3Å; V735-V744 HydrophobicContact CG2-CG1 4.36Å
736E63.8Low81.9Confident143 Ų14383.9 Ų83.967%0.66844%0.442SS*.  trans-61.7149.7171.3-67.6179.6174.200111.3N738E736-N738 VanDerWaalsContact CB-ND2 3.31Å; E736-N738 WeakPolarHBondContact CB-ND2 3.43Å; E736-N738 PolarHBondContact O-N 3.26Å; E736-N738 PolarHBondContact OE2-ND2 3.3Å
737N63.8Low81.6Confident167 Ų16786.2 Ų86.289%0.89346%0.455SS*.SBendtrans-71.451.9178.4-80.3-76.3000113.3
738N67.1Low81.5Confident96 Ų9685 Ų8551%0.51345%0.449SS..SBendtrans-100157.8179.3-64.5-32.9000110.5E736 R740 G741E736-N738 VanDerWaalsContact CB-ND2 3.31Å; E736-N738 WeakPolarHBondContact CB-ND2 3.43Å; E736-N738 PolarHBondContact O-N 3.26Å; E736-N738 PolarHBondContact OE2-ND2 3.3Å; N738-R740 PolarHBondContact O-N 2.68Å; N738-G741 PolarHBondContact O-N 2.86Å
739D74.1Confident81.5Confident171 Ų17186.6 Ų86.691%0.91446%0.458SS*.THydrogen-bonded Turntrans-56.3-17.9-178.5-64.1-40.9000115
740R79.5Confident81.5Confident198 Ų19887 Ų8775%0.74746%0.458SS*.THydrogen-bonded Turntrans-92.7-1.3177.2-57.4-170.7-171.4-163.34.2114.1N738 C742 Q743 V744N738-R740 PolarHBondContact O-N 2.68Å; R740-C742 PolarHBondContact O-N 3.1Å; R740-Q743 WeakPolarHBondContact O-CA 3.5Å; R740-Q743 WeakPolarHBondContact O-CB 3.43Å; R740-Q743 PolarHBondContact O-N 2.82Å; R740-V744 PolarHBondContact O-N 3.47Å
741G85.7Confident81.4Confident15 Ų1586.3 Ų86.316%0.15546%0.458CS..Hα-helixtrans-57.1-45.3-168.900000113.3N738 Q743 V744 L745N738-G741 PolarHBondContact O-N 2.86Å; G741-Q743 VanDerWaalsContact C-N 3.26Å; G741-Q743 PolarHBondContact O-N 3.46Å; G741-V744 PolarHBondContact O-N 3.37Å; G741-L745 VanDerWaalsContact O-CB 3.28Å; G741-L745 WeakPolarHBondContact O-CB 3.38Å; G741-L745 PolarHBondContact O-N 2.91Å
742C87.5Confident81.7Confident106 Ų10683.4 Ų83.472%0.71643%0.427SS*.Hα-helixtrans-65.3-25.5176.2-56.70000114R740 Y746R740-C742 PolarHBondContact O-N 3.1Å; C742-Y746 WeakPolarHBondContact O-CB 3.32Å; C742-Y746 PolarHBondContact O-N 3.25Å; C742-Y746 VanDerWaalsContact O-N 3.11Å
743Q89.4Confident82.2Confident107 Ų10786.1 Ų86.150%0.543%0.434SS..Hα-helixtrans-75.9-49.1175.8-178.661.252.600110.4R740 G741 L745 Y746 D747R740-Q743 WeakPolarHBondContact O-CA 3.5Å; R740-Q743 WeakPolarHBondContact O-CB 3.43Å; R740-Q743 PolarHBondContact O-N 2.82Å; G741-Q743 VanDerWaalsContact C-N 3.26Å; G741-Q743 PolarHBondContact O-N 3.46Å; Q743-L745 VanDerWaalsContact C-N 3.28Å; Q743-L745 PolarHBondContact O-N 3.03Å; Q743-Y746 WeakPolarHBondContact O-CB 3.38Å; Q743-Y746 PolarHBondContact O-N 3.24Å; Q743-Y746 VanDerWaalsContact O-N 3.08Å; Q743-D747 PolarHBondContact NE2-OD1 3.3Å; Q743-D747 PolarHBondContact NE2-OD2 2.88Å; Q743-D747 PolarHBondContact O-N 3.43Å
744V88.7Confident83.3Confident29 Ų2982.6 Ų82.618%0.17642%0.417CS..Hα-helixtrans-57.7-42.9174.7175.20000110.7V735 R740 G741 Y746 D747 V748V735-V744 HydrophobicContact CG1-CB 4.2Å; V735-V744 HydrophobicContact CG1-CG1 4.3Å; V735-V744 HydrophobicContact CG2-CG1 4.36Å; R740-V744 PolarHBondContact O-N 3.47Å; G741-V744 PolarHBondContact O-N 3.37Å; V744-Y746 PolarHBondContact O-N 3.33Å; V744-D747 PolarHBondContact O-N 2.94Å; V744-V748 HydrophobicContact CG1-CG2 4.39Å; V744-V748 WeakPolarHBondContact O-CB 3.42Å; V744-V748 VanDerWaalsContact O-CG2 3.31Å; V744-V748 WeakPolarHBondContact O-CG2 3.01Å; V744-V748 PolarHBondContact O-N 3.4Å
745L89.7Confident84.7Confident61 Ų6180.5 Ų80.532%0.31940%0.404SS..Hα-helixtrans-58-45.6173.8175.459.9000112.5L728 G741 Q743 L749L728-L745 HydrophobicContact CD1-CD1 3.5Å; L728-L745 HydrophobicContact CD2-CD1 3.35Å; L728-L745 HydrophobicContact CG-CD1 4.05Å; G741-L745 VanDerWaalsContact O-CB 3.28Å; G741-L745 WeakPolarHBondContact O-CB 3.38Å; G741-L745 PolarHBondContact O-N 2.91Å; Q743-L745 VanDerWaalsContact C-N 3.28Å; Q743-L745 PolarHBondContact O-N 3.03Å; L745-L749 HydrophobicContact CD1-CD1 3.96Å; L745-L749 HydrophobicContact CD1-CG 4.38Å; L745-L749 HydrophobicContact CG-CD1 4.21Å; L745-L749 WeakPolarHBondContact O-CB 3.38Å; L745-L749 VanDerWaalsContact O-CG 3.28Å; L745-L749 WeakPolarHBondContact O-CG 3.43Å; L745-L749 PolarHBondContact O-N 3.37Å; L745-L749 VanDerWaalsContact O-N 3.1Å
746Y91.2Very high86.1Confident136 Ų13679.9 Ų79.953%0.53340%0.402SS..Hα-helixtrans-63.7-44.9176.2173.9-93.4000111.9C742 Q743 V744 L749 Q750C742-Y746 WeakPolarHBondContact O-CB 3.32Å; C742-Y746 PolarHBondContact O-N 3.25Å; C742-Y746 VanDerWaalsContact O-N 3.11Å; Q743-Y746 WeakPolarHBondContact O-CB 3.38Å; Q743-Y746 PolarHBondContact O-N 3.24Å; Q743-Y746 VanDerWaalsContact O-N 3.08Å; V744-Y746 PolarHBondContact O-N 3.33Å; Y746-L749 PolarHBondContact O-N 2.86Å; Y746-Q750 HydrophobicContact CE1-CB 4.36Å; Y746-Q750 VanDerWaalsContact O-CB 3.27Å; Y746-Q750 WeakPolarHBondContact O-CB 3.45Å; Y746-Q750 PolarHBondContact O-N 2.69Å
747D91.2Very high87.6Confident49 Ų4978.9 Ų78.926%0.26240%0.4SS..Hα-helixtrans-66.9-40.9-178-66.9-35.3000111.5Q743 V744 Q750 S751Q743-D747 PolarHBondContact NE2-OD1 3.3Å; Q743-D747 PolarHBondContact NE2-OD2 2.88Å; Q743-D747 PolarHBondContact O-N 3.43Å; V744-D747 PolarHBondContact O-N 2.94Å; D747-Q750 PolarHBondContact O-N 3.2Å; D747-S751 VanDerWaalsContact O-CB 3.31Å; D747-S751 WeakPolarHBondContact O-CB 3.47Å; D747-S751 PolarHBondContact O-N 3.28Å
748V91Very high89.1Confident12 Ų1275.5 Ų75.57%0.07338%0.379CS..Hα-helixtrans-59.5-46.8171.4167.10000111.6P724 L725 L728 V744 A752P724-V748 HydrophobicContact CB-CG1 3.95Å; P724-V748 HydrophobicContact CB-CG2 3.88Å; L725-V748 HydrophobicContact CB-CG1 4.25Å; L728-V748 HydrophobicContact CD2-CG1 4.49Å; V744-V748 HydrophobicContact CG1-CG2 4.39Å; V744-V748 WeakPolarHBondContact O-CB 3.42Å; V744-V748 VanDerWaalsContact O-CG2 3.31Å; V744-V748 WeakPolarHBondContact O-CG2 3.01Å; V744-V748 PolarHBondContact O-N 3.4Å; V748-A752 VanDerWaalsContact O-CB 3.29Å; V748-A752 WeakPolarHBondContact O-CB 3.46Å; V748-A752 PolarHBondContact O-N 3.39Å
749L92.4Very high90.4Very high81 Ų8171.4 Ų71.442%0.42436%0.358SS..Hα-helixtrans-67.7-34.5178.8-72.3170.5000112.6L725 L728 L745 Y746 R753L725-L749 HydrophobicContact CD1-CD2 4.15Å; L728-L749 HydrophobicContact CD2-CD1 4.48Å; L728-L749 HydrophobicContact CD2-CD2 3.81Å; L728-L749 HydrophobicContact CD2-CG 4.02Å; L745-L749 HydrophobicContact CD1-CD1 3.96Å; L745-L749 HydrophobicContact CD1-CG 4.38Å; L745-L749 HydrophobicContact CG-CD1 4.21Å; L745-L749 WeakPolarHBondContact O-CB 3.38Å; L745-L749 VanDerWaalsContact O-CG 3.28Å; L745-L749 WeakPolarHBondContact O-CG 3.43Å; L745-L749 PolarHBondContact O-N 3.37Å; L745-L749 VanDerWaalsContact O-N 3.1Å; Y746-L749 PolarHBondContact O-N 2.86Å; L749-R753 WeakPolarHBondContact O-CB 3.28Å; L749-R753 PolarHBondContact O-N 2.89Å
750Q93.1Very high91.3Very high67 Ų6770 Ų7031%0.31335%0.346SS..Hα-helixtrans-77-34.9178.6179.949.848.700112Y746 D747 S754Y746-Q750 HydrophobicContact CE1-CB 4.36Å; Y746-Q750 VanDerWaalsContact O-CB 3.27Å; Y746-Q750 WeakPolarHBondContact O-CB 3.45Å; Y746-Q750 PolarHBondContact O-N 2.69Å; D747-Q750 PolarHBondContact O-N 3.2Å; Q750-S754 WeakPolarHBondContact O-CB 3.41Å; Q750-S754 PolarHBondContact O-N 3.13Å
751S91.2Very high92.1Very high26 Ų2664 Ų6418%0.18233%0.331CS..Hα-helixtrans-64.4-45.9169.1-176.40000110.9D710 D747 R753 S754 A755D710-S751 WeakPolarHBondContact OD1-CB 3.28Å; D710-S751 PolarHBondContact OD1-OG 3.11Å; D710-S751 WeakPolarHBondContact OD2-CB 3.45Å; D710-S751 PolarHBondContact OD2-OG 2.97Å; D747-S751 VanDerWaalsContact O-CB 3.31Å; D747-S751 WeakPolarHBondContact O-CB 3.47Å; D747-S751 PolarHBondContact O-N 3.28Å; S751-R753 PolarHBondContact O-N 3.04Å; S751-S754 CarbonylContact O-C 3.56Å; S751-S754 WeakPolarHBondContact O-CA 3.29Å; S751-S754 VanDerWaalsContact O-CB 3.27Å; S751-S754 WeakPolarHBondContact O-CB 3.36Å; S751-S754 PolarHBondContact O-N 3.41Å; S751-A755 PolarHBondContact O-N 3.33Å
752A93Very high92.6Very high11 Ų1164.5 Ų64.59%0.09133%0.328CS..Hα-helixtrans-57.3-46174.100000113.2L725 V748 S754 A755 A756L725-A752 HydrophobicContact CB-CB 4.4Å; L725-A752 HydrophobicContact CD1-CB 3.53Å; L725-A752 HydrophobicContact CD2-CB 3.49Å; L725-A752 VanDerWaalsContact CD2-CB 3.49Å; L725-A752 HydrophobicContact CG-CB 3.97Å; V748-A752 VanDerWaalsContact O-CB 3.29Å; V748-A752 WeakPolarHBondContact O-CB 3.46Å; V748-A752 PolarHBondContact O-N 3.39Å; A752-S754 VanDerWaalsContact C-N 3.3Å; A752-S754 PolarHBondContact O-N 3.02Å; A752-A755 PolarHBondContact O-N 2.99Å; A752-A756 PolarHBondContact O-N 3.09Å
753R94.8Very high93Very high150 Ų15062 Ų6257%0.56631%0.306SS*.Hα-helixtrans-60.3-39.2173.4179.2-178.5172.9-143.12111.9L749 S751 L757L749-R753 WeakPolarHBondContact O-CB 3.28Å; L749-R753 PolarHBondContact O-N 2.89Å; S751-R753 PolarHBondContact O-N 3.04Å; R753-L757 HydrophobicContact CG-CD1 4.08Å; R753-L757 WeakPolarHBondContact O-CB 3.27Å; R753-L757 VanDerWaalsContact O-CG 3.26Å; R753-L757 WeakPolarHBondContact O-CG 3.31Å; R753-L757 PolarHBondContact O-N 3.43Å; R753-L757 VanDerWaalsContact O-N 3.13Å
754S92.8Very high93.3Very high34 Ų3463.6 Ų63.624%0.23831%0.312CS..Hα-helixtrans-64.5-41.9174.5-1660000111.8Q750 S751 A752 L757 H758Q750-S754 WeakPolarHBondContact O-CB 3.41Å; Q750-S754 PolarHBondContact O-N 3.13Å; S751-S754 CarbonylContact O-C 3.56Å; S751-S754 WeakPolarHBondContact O-CA 3.29Å; S751-S754 VanDerWaalsContact O-CB 3.27Å; S751-S754 WeakPolarHBondContact O-CB 3.36Å; S751-S754 PolarHBondContact O-N 3.41Å; A752-S754 VanDerWaalsContact C-N 3.3Å; A752-S754 PolarHBondContact O-N 3.02Å; S754-L757 PolarHBondContact O-N 3.41Å; S754-H758 WeakPolarHBondContact O-CB 3.47Å; S754-H758 PolarHBondContact O-N 3.2Å; S754-H758 PolarHBondContact O-ND1 3.34Å; S754-H758 PolarHBondContact OG-ND1 3.07Å
755A93.1Very high93.6Very high4 Ų463.9 Ų63.93%0.03331%0.312CS..Hα-helixtrans-63.8-42.3178.600000112.7P720 S751 A752 S759 Y762P720-A755 HydrophobicContact CB-CB 4.45Å; P720-A755 HydrophobicContact CG-CB 4.13Å; S751-A755 PolarHBondContact O-N 3.33Å; A752-A755 PolarHBondContact O-N 2.99Å; A755-S759 WeakPolarHBondContact O-CA 3.46Å; A755-S759 PolarHBondContact O-N 3.3Å; A755-S759 VanDerWaalsContact O-N 3.07Å; A755-Y762 HydrophobicContact CB-CE2 4.28Å
756A95.5Very high93.9Very high14 Ų1461 Ų6112%0.11630%0.297CS..Hα-helixtrans-63-51174.900000111.9T601 A752 H758 S759T601-A756 HydrophobicContact CG2-CB 4.06Å; A752-A756 PolarHBondContact O-N 3.09Å; A756-H758 VanDerWaalsContact C-N 3.27Å; A756-H758 PolarHBondContact O-N 2.91Å; A756-S759 WeakPolarHBondContact O-CB 3.26Å; A756-S759 PolarHBondContact O-N 3.43Å; A756-S759 PolarHBondContact O-OG 2.84Å; A756-S759 VanDerWaalsContact O-OG 3.06Å
757L95.4Very high94Very high122 Ų12258.5 Ų58.564%0.63929%0.29SS*.Hα-helixtrans-60-33.8-180-74170.6000113.3R753 S754R753-L757 HydrophobicContact CG-CD1 4.08Å; R753-L757 WeakPolarHBondContact O-CB 3.27Å; R753-L757 VanDerWaalsContact O-CG 3.26Å; R753-L757 WeakPolarHBondContact O-CG 3.31Å; R753-L757 PolarHBondContact O-N 3.43Å; R753-L757 VanDerWaalsContact O-N 3.13Å; S754-L757 PolarHBondContact O-N 3.41Å
758H93.9Very high94.2Very high96 Ų9660.8 Ų60.844%0.44431%0.306SS..THydrogen-bonded Turntrans-10518.4-178.4-55.8102.9000113.3S754 A756 Q760 V761 Y762S754-H758 WeakPolarHBondContact O-CB 3.47Å; S754-H758 PolarHBondContact O-N 3.2Å; S754-H758 PolarHBondContact O-ND1 3.34Å; S754-H758 PolarHBondContact OG-ND1 3.07Å; A756-H758 VanDerWaalsContact C-N 3.27Å; A756-H758 PolarHBondContact O-N 2.91Å; H758-Q760 PolarHBondContact O-N 2.85Å; H758-Q760 VanDerWaalsContact O-N 3.07Å; H758-V761 HydrophobicContact CB-CB 4.5Å; H758-V761 HydrophobicContact CB-CG2 4.17Å; H758-V761 WeakPolarHBondContact O-CA 3.29Å; H758-V761 VanDerWaalsContact O-CB 3.26Å; H758-V761 WeakPolarHBondContact O-CB 3.44Å; H758-V761 PolarHBondContact O-N 3.03Å; H758-Y762 HydrophobicContact CB-CE2 4.16Å; H758-Y762 VanDerWaalsContact O-CD2 3.3Å; H758-Y762 WeakPolarHBondContact O-CD2 3.48Å
759S94.5Very high94.3Very high10 Ų1062.5 Ų62.57%0.0732%0.315CS..Hα-helixtrans-47.8-39.3-17651.90000114.7A755 A756 V761 Y762 Q763A755-S759 WeakPolarHBondContact O-CA 3.46Å; A755-S759 PolarHBondContact O-N 3.3Å; A755-S759 VanDerWaalsContact O-N 3.07Å; A756-S759 WeakPolarHBondContact O-CB 3.26Å; A756-S759 PolarHBondContact O-N 3.43Å; A756-S759 PolarHBondContact O-OG 2.84Å; A756-S759 VanDerWaalsContact O-OG 3.06Å; S759-V761 VanDerWaalsContact C-N 3.25Å; S759-V761 PolarHBondContact O-N 3.07Å; S759-Y762 PolarHBondContact O-N 3.04Å; S759-Q763 PolarHBondContact O-N 2.91Å; S759-Q763 VanDerWaalsContact O-N 3.09Å
760Q94.4Very high94.3Very high141 Ų14160.2 Ų60.266%0.65930%0.302SS*.Hα-helixtrans-61.1-28.4175.4-63.6-177.41.400113.9H758 K764H758-Q760 PolarHBondContact O-N 2.85Å; H758-Q760 VanDerWaalsContact O-N 3.07Å; Q760-K764 WeakPolarHBondContact O-CB 3.38Å; Q760-K764 PolarHBondContact O-N 3.18Å
761V95.8Very high94.1Very high74 Ų7462 Ų6245%0.44832%0.318SS..Hα-helixtrans-71.2-46.2177.8-175.80000110.2H758 S759 Q763 K764 N765H758-V761 HydrophobicContact CB-CB 4.5Å; H758-V761 HydrophobicContact CB-CG2 4.17Å; H758-V761 WeakPolarHBondContact O-CA 3.29Å; H758-V761 VanDerWaalsContact O-CB 3.26Å; H758-V761 WeakPolarHBondContact O-CB 3.44Å; H758-V761 PolarHBondContact O-N 3.03Å; S759-V761 VanDerWaalsContact C-N 3.25Å; S759-V761 PolarHBondContact O-N 3.07Å; V761-Q763 VanDerWaalsContact C-N 3.35Å; V761-Q763 PolarHBondContact O-N 2.93Å; V761-K764 PolarHBondContact O-N 3.15Å; V761-N765 WeakPolarHBondContact O-CB 3.4Å; V761-N765 PolarHBondContact O-N 2.84Å; V761-N765 PolarHBondContact O-ND2 3.48Å; V761-N765 PolarHBondContact O-OD1 3.44Å
762Y95.8Very high93.9Very high24 Ų2468.4 Ų68.49%0.09435%0.35CS..Hα-helixtrans-60.1-45.1174.6-60.2-89.7000111.2L597 I717 P720 A755 H758 S759 K764 N765 A766L597-Y762 HydrophobicContact CD1-CD1 4.49Å; L597-Y762 HydrophobicContact CD1-CD2 3.81Å; L597-Y762 HydrophobicContact CD1-CG 3.77Å; I717-Y762 HydrophobicContact CB-CD1 4.03Å; I717-Y762 HydrophobicContact CB-CE1 3.75Å; I717-Y762 HydrophobicContact CD1-CE1 4.31Å; I717-Y762 HydrophobicContact CG2-CD1 3.93Å; I717-Y762 HydrophobicContact CG2-CE1 3.65Å; I717-Y762 WeakPolarHBondContact O-CD1 3.25Å; P720-Y762 HydrophobicContact CB-CE1 3.88Å; P720-Y762 HydrophobicContact CG-CD1 4.37Å; P720-Y762 HydrophobicContact CG-CE1 4.04Å; A755-Y762 HydrophobicContact CB-CE2 4.28Å; H758-Y762 HydrophobicContact CB-CE2 4.16Å; H758-Y762 VanDerWaalsContact O-CD2 3.3Å; H758-Y762 WeakPolarHBondContact O-CD2 3.48Å; S759-Y762 PolarHBondContact O-N 3.04Å; Y762-K764 PolarHBondContact O-N 3.27Å; Y762-N765 PolarHBondContact O-N 2.9Å; Y762-A766 WeakPolarHBondContact O-CB 3.16Å; Y762-A766 PolarHBondContact O-N 3.25Å
763Q95.4Very high93.8Very high53 Ų5370.2 Ų70.225%0.24836%0.355CS..Hα-helixtrans-55.6-48.5173.5173.4171.673.200112.4I580 S759 V761 A766 Q767I580-Q763 HydrophobicContact CG2-CB 4.22Å; I580-Q763 WeakPolarHBondContact O-CG 3.38Å; I580-Q763 PolarHBondContact O-NE2 2.87Å; S759-Q763 PolarHBondContact O-N 2.91Å; S759-Q763 VanDerWaalsContact O-N 3.09Å; V761-Q763 VanDerWaalsContact C-N 3.35Å; V761-Q763 PolarHBondContact O-N 2.93Å; Q763-A766 PolarHBondContact O-N 2.84Å; Q763-Q767 WeakPolarHBondContact O-CB 3.28Å; Q763-Q767 VanDerWaalsContact O-CG 3.25Å; Q763-Q767 WeakPolarHBondContact O-CG 3.42Å; Q763-Q767 PolarHBondContact O-N 3Å
764K95.8Very high93.7Very high142 Ų14268.7 Ų68.762%0.61736%0.362SS*.Hα-helixtrans-65.4-39.3178.7-175.3176.4178.7179.50112.4Q760 V761 Y762 T768Q760-K764 WeakPolarHBondContact O-CB 3.38Å; Q760-K764 PolarHBondContact O-N 3.18Å; V761-K764 PolarHBondContact O-N 3.15Å; Y762-K764 PolarHBondContact O-N 3.27Å; K764-T768 WeakPolarHBondContact O-CB 3.12Å; K764-T768 PolarHBondContact O-N 3.24Å; K764-T768 PolarHBondContact O-OG1 3.47Å
765N95.9Very high93.7Very high34 Ų3470 Ų7018%0.18237%0.371CS..Hα-helixtrans-63.5-49176.9-67.4-18.9000110.9P716 I717 V761 Y762 T768 L769P716-N765 VanDerWaalsContact C-ND2 3.33Å; P716-N765 HydrophobicContact CB-CB 4.23Å; I717-N765 WeakPolarHBondContact O-CB 3.34Å; I717-N765 PolarHBondContact O-ND2 2.57Å; V761-N765 WeakPolarHBondContact O-CB 3.4Å; V761-N765 PolarHBondContact O-N 2.84Å; V761-N765 PolarHBondContact O-ND2 3.48Å; V761-N765 PolarHBondContact O-OD1 3.44Å; Y762-N765 PolarHBondContact O-N 2.9Å; N765-T768 PolarHBondContact O-N 3.26Å; N765-L769 PolarHBondContact O-N 3.05Å; N765-L769 VanDerWaalsContact O-N 3.15Å
766A95.4Very high93.8Very high0 Ų072.9 Ų72.90%039%0.385CS..Hα-helixtrans-59.7-47.1175.700000112.2C575 I580 V581 A718 Y762 Q763 T768 L769 L770C575-A766 VanDerWaalsContact SG-CB 3.54Å; I580-A766 HydrophobicContact CG2-CB 4.46Å; V581-A766 HydrophobicContact CG2-CB 3.7Å; A718-A766 HydrophobicContact CB-CB 4.15Å; Y762-A766 WeakPolarHBondContact O-CB 3.16Å; Y762-A766 PolarHBondContact O-N 3.25Å; Q763-A766 PolarHBondContact O-N 2.84Å; A766-T768 VanDerWaalsContact C-N 3.34Å; A766-T768 PolarHBondContact O-N 3.41Å; A766-L769 PolarHBondContact O-N 3.28Å; A766-L770 WeakPolarHBondContact O-CB 3.38Å; A766-L770 VanDerWaalsContact O-CG 3.27Å; A766-L770 WeakPolarHBondContact O-CG 3.4Å; A766-L770 PolarHBondContact O-N 3.13Å; A766-L770 VanDerWaalsContact O-N 3.13Å
767Q94.3Very high93.7Very high85 Ų8575.8 Ų75.840%0.39740%0.402SS..Hα-helixtrans-57.9-44.6174.8-75.3169.9-1300111.8V581 Q763 L769 L770 T771V581-Q767 HydrophobicContact CG1-CG 4.25Å; V581-Q767 HydrophobicContact CG2-CG 4.25Å; Q763-Q767 WeakPolarHBondContact O-CB 3.28Å; Q763-Q767 VanDerWaalsContact O-CG 3.25Å; Q763-Q767 WeakPolarHBondContact O-CG 3.42Å; Q763-Q767 PolarHBondContact O-N 3Å; Q767-L769 PolarHBondContact O-N 3.4Å; Q767-L770 PolarHBondContact O-N 3.37Å; Q767-T771 PolarHBondContact O-N 3.29Å; Q767-T771 PolarHBondContact O-OG1 3.34Å
768T94.9Very high93.7Very high97 Ų9773.7 Ų73.760%0.59539%0.389SS*.Hα-helixtrans-60.3-33.5178.8-55.10000112.4K764 N765 A766K764-T768 WeakPolarHBondContact O-CB 3.12Å; K764-T768 PolarHBondContact O-N 3.24Å; K764-T768 PolarHBondContact O-OG1 3.47Å; N765-T768 PolarHBondContact O-N 3.26Å; A766-T768 VanDerWaalsContact C-N 3.34Å; A766-T768 PolarHBondContact O-N 3.41Å
769L93.4Very high93.7Very high48 Ų4869.2 Ų69.225%0.25137%0.368SS..Hα-helixtrans-78.7-21.7176.3-68.3168.6000113.9L568 L571 V655 A718 N765 A766 Q767L568-L769 HydrophobicContact CD2-CB 4.33Å; L571-L769 HydrophobicContact CD2-CB 4.12Å; L571-L769 HydrophobicContact CD2-CD1 3.93Å; V655-L769 VanDerWaalsContact O-CD1 3.22Å; V655-L769 WeakPolarHBondContact O-CD1 3.26Å; A718-L769 HydrophobicContact CB-CD1 4.09Å; N765-L769 PolarHBondContact O-N 3.05Å; N765-L769 VanDerWaalsContact O-N 3.15Å; A766-L769 PolarHBondContact O-N 3.28Å; Q767-L769 PolarHBondContact O-N 3.4Å
770L92.6Very high93.7Very high32 Ų3270.8 Ų70.817%0.16838%0.376CS..Hα-helixtrans-106.8-14.3-172.2-64.7171.7000114.3L571 A766 Q767 W773L571-L770 HydrophobicContact CD2-CD1 4.46Å; L571-L770 HydrophobicContact CD2-CD2 4.36Å; L571-L770 HydrophobicContact CD2-CG 4.3Å; A766-L770 WeakPolarHBondContact O-CB 3.38Å; A766-L770 VanDerWaalsContact O-CG 3.27Å; A766-L770 WeakPolarHBondContact O-CG 3.4Å; A766-L770 PolarHBondContact O-N 3.13Å; A766-L770 VanDerWaalsContact O-N 3.13Å; Q767-L770 PolarHBondContact O-N 3.37Å; L770-W773 HydrophobicContact CD2-CD2 4.22Å; L770-W773 HydrophobicContact CD2-CE3 3.6Å; L770-W773 HydrophobicContact CD2-CZ3 3.81Å; L770-W773 PolarHBondContact O-N 3.43Å
771T89.1Confident93.7Very high106 Ų10664.8 Ų64.865%0.6535%0.348SS*.THydrogen-bonded Turntrans-59.8-49.4-177.5-62.50000113.5Q767 W773Q767-T771 PolarHBondContact O-N 3.29Å; Q767-T771 PolarHBondContact O-OG1 3.34Å; T771-W773 VanDerWaalsContact C-N 3.34Å
772D85.9Confident93.7Very high159 Ų15961.9 Ų61.985%0.8533%0.33SS*.THydrogen-bonded Turntrans-96.119.6-175.4-62.8-42.9000113
773W92Very high93.7Very high49 Ų4961.9 Ų61.919%0.18633%0.331CS..  trans-111129.1-172.6169.774.8000112.2L568 H569 S572 L770 T771 P775 L780L568-W773 HydrophobicContact CB-CD2 4.46Å; L568-W773 HydrophobicContact CB-CZ2 4.16Å; L568-W773 HydrophobicContact CD1-CG 4.33Å; H569-W773 HydrophobicContact CB-CZ2 4.36Å; H569-W773 AromaticContact CD2-CZ2 3.62Å; H569-W773 AromaticContact CE1-CZ2 3.67Å; H569-W773 AromaticContact CG-CZ2 3.68Å; H569-W773 AromaticContact ND1-CZ2 3.72Å; H569-W773 AromaticContact NE2-CZ2 3.61Å; S572-W773 WeakPolarHBondContact OG-CH2 3.14Å; L770-W773 HydrophobicContact CD2-CD2 4.22Å; L770-W773 HydrophobicContact CD2-CE3 3.6Å; L770-W773 HydrophobicContact CD2-CZ3 3.81Å; L770-W773 PolarHBondContact O-N 3.43Å; T771-W773 VanDerWaalsContact C-N 3.34Å; W773-P775 HydrophobicContact CE3-CB 4.45Å; W773-P775 HydrophobicContact CH2-CB 3.66Å; W773-P775 HydrophobicContact CZ2-CB 4.13Å; W773-P775 HydrophobicContact CZ3-CB 3.82Å; W773-P775 HydrophobicContact CZ3-CG 4.36Å; W773-P775 WeakPolarHBondContact O-CD 3.37Å; W773-L780 HydrophobicContact CH2-CD2 4.05Å
774T91.8Very high93.8Very high118 Ų11864.6 Ų64.672%0.72434%0.339SS*.  trans-93.6113.2175.755.40000110.6
775P92.6Very high93.8Very high63 Ų6358 Ų5841%0.40931%0.31SS..  trans-68.2144.617426-33.2000112.1W773 L780W773-P775 HydrophobicContact CE3-CB 4.45Å; W773-P775 HydrophobicContact CH2-CB 3.66Å; W773-P775 HydrophobicContact CZ2-CB 4.13Å; W773-P775 HydrophobicContact CZ3-CB 3.82Å; W773-P775 HydrophobicContact CZ3-CG 4.36Å; W773-P775 WeakPolarHBondContact O-CD 3.37Å; P775-L780 HydrophobicContact CB-CD1 3.55Å; P775-L780 HydrophobicContact CB-CD2 4.31Å; P775-L780 HydrophobicContact CB-CG 3.87Å; P775-L780 HydrophobicContact CG-CD1 4.24Å
776I94.7Very high93.8Very high64 Ų6457.9 Ų57.933%0.32831%0.309SS..  trans-92.7114.8166.9-63.7169000106.6H569 E778 L779 L780H569-I776 PolarHBondContact NE2-N 2.8Å; I776-E778 VanDerWaalsContact C-N 3.28Å; I776-E778 HydrophobicContact CG2-CB 4.5Å; I776-E778 VanDerWaalsContact CG2-OE2 3.27Å; I776-E778 WeakPolarHBondContact CG2-OE2 3.3Å; I776-E778 PolarHBondContact O-N 2.74Å; I776-L779 HydrophobicContact CB-CB 4.23Å; I776-L779 HydrophobicContact CB-CD1 4.01Å; I776-L779 HydrophobicContact CB-CG 4.26Å; I776-L779 HydrophobicContact CD1-CD1 3.8Å; I776-L779 HydrophobicContact CG1-CD1 4.46Å; I776-L779 HydrophobicContact CG2-CB 4.34Å; I776-L779 HydrophobicContact CG2-CD1 4.18Å; I776-L779 HydrophobicContact CG2-CG 4.08Å; I776-L779 PolarHBondContact O-N 2.87Å; I776-L779 VanDerWaalsContact O-N 3.1Å; I776-L780 PolarHBondContact O-N 3.43Å
777P94.4Very high93.8Very high75 Ų7558 Ų5849%0.48731%0.309SS..Hα-helixtrans-55.6-39.4-173-28.936.8000114.1M537 L780 E781M537-P777 HydrophobicContact CE-CB 3.8Å; P777-L780 PolarHBondContact O-N 3.42Å; P777-E781 PolarHBondContact O-N 2.88Å
778E94.2Very high93.9Very high78 Ų7854.6 Ų54.636%0.36430%0.296SS..Hα-helixtrans-64.6-41.5179.2-57.791.2151.300111.4L538 L557 I776 E781 T782L538-E778 HydrophobicContact CD1-CB 4.28Å; L538-E778 HydrophobicContact CD2-CG 4.44Å; L557-E778 HydrophobicContact CD1-CB 3.88Å; L557-E778 HydrophobicContact CD2-CB 4.24Å; I776-E778 VanDerWaalsContact C-N 3.28Å; I776-E778 HydrophobicContact CG2-CB 4.5Å; I776-E778 VanDerWaalsContact CG2-OE2 3.27Å; I776-E778 WeakPolarHBondContact CG2-OE2 3.3Å; I776-E778 PolarHBondContact O-N 2.74Å; E778-E781 PolarHBondContact O-N 3.35Å; E778-T782 WeakPolarHBondContact O-CG2 3.47Å; E778-T782 PolarHBondContact O-N 3.34Å
779L94.5Very high93.9Very high1 Ų150.4 Ų50.41%0.00527%0.269CS..Hα-helixtrans-70.3-42.1177.4-72.4175000111.9L557 F558 S561 L566 H569 I776 E781 T782 F783L557-L779 HydrophobicContact CB-CD2 3.86Å; F558-L779 HydrophobicContact CD1-CD2 3.9Å; F558-L779 HydrophobicContact CE1-CD2 4.03Å; S561-L779 VanDerWaalsContact OG-CD1 3.32Å; S561-L779 WeakPolarHBondContact OG-CD1 3.37Å; L566-L779 HydrophobicContact CD2-CD1 4.32Å; L566-L779 HydrophobicContact CD2-CD2 3.87Å; H569-L779 HydrophobicContact CB-CB 4.47Å; H569-L779 VanDerWaalsContact CD2-CB 3.45Å; H569-L779 WeakPolarHBondContact CD2-CB 3.48Å; I776-L779 HydrophobicContact CB-CB 4.23Å; I776-L779 HydrophobicContact CB-CD1 4.01Å; I776-L779 HydrophobicContact CB-CG 4.26Å; I776-L779 HydrophobicContact CD1-CD1 3.8Å; I776-L779 HydrophobicContact CG1-CD1 4.46Å; I776-L779 HydrophobicContact CG2-CB 4.34Å; I776-L779 HydrophobicContact CG2-CD1 4.18Å; I776-L779 HydrophobicContact CG2-CG 4.08Å; I776-L779 PolarHBondContact O-N 2.87Å; I776-L779 VanDerWaalsContact O-N 3.1Å; L779-E781 PolarHBondContact O-N 2.93Å; L779-T782 WeakPolarHBondContact CA-OG1 3.22Å; L779-T782 PolarHBondContact O-N 3.46Å; L779-T782 VanDerWaalsContact O-N 3.14Å; L779-T782 PolarHBondContact O-OG1 3.31Å; L779-F783 WeakPolarHBondContact O-CD2 3.4Å; L779-F783 PolarHBondContact O-N 2.93Å; L779-F783 VanDerWaalsContact O-N 3.16Å
780L94.8Very high94Very high44 Ų4448.7 Ų48.723%0.2326%0.259CS..Hα-helixtrans-52.8-44.5172.1-79.3-174000111.1S572 V573 W773 P775 I776 P777 F783 R784S572-L780 WeakPolarHBondContact OG-CD2 3.37Å; V573-L780 HydrophobicContact CG2-CD2 4.13Å; W773-L780 HydrophobicContact CH2-CD2 4.05Å; P775-L780 HydrophobicContact CB-CD1 3.55Å; P775-L780 HydrophobicContact CB-CD2 4.31Å; P775-L780 HydrophobicContact CB-CG 3.87Å; P775-L780 HydrophobicContact CG-CD1 4.24Å; I776-L780 PolarHBondContact O-N 3.43Å; P777-L780 PolarHBondContact O-N 3.42Å; L780-F783 PolarHBondContact O-N 3.5Å; L780-R784 PolarHBondContact O-N 3Å
781E94.9Very high94.1Very high15 Ų1547.5 Ų47.57%0.0725%0.253CS..Hα-helixtrans-64.3-43.6178.1-164.9177.7110.700111.9F534 S536 M537 L538 P777 E778 L779 F783 R784 F787F534-E781 HydrophobicContact CZ-CG 4.33Å; S536-E781 WeakPolarHBondContact CB-OE1 3.4Å; S536-E781 PolarHBondContact OG-OE1 2.88Å; M537-E781 WeakPolarHBondContact CE-OE2 3.43Å; M537-E781 VanDerWaalsContact N-CD 3.27Å; M537-E781 PolarHBondContact N-OE1 2.86Å; M537-E781 PolarHBondContact N-OE2 2.77Å; L538-E781 WeakPolarHBondContact CB-OE1 3.3Å; L538-E781 PolarHBondContact N-OE1 2.75Å; P777-E781 PolarHBondContact O-N 2.88Å; E778-E781 PolarHBondContact O-N 3.35Å; L779-E781 PolarHBondContact O-N 2.93Å; E781-F783 PolarHBondContact O-N 3.37Å; E781-R784 WeakPolarHBondContact O-CB 3.39Å; E781-R784 PolarHBondContact O-N 3.05Å; E781-R784 VanDerWaalsContact O-N 3.08Å; E781-F787 HydrophobicContact CG-CD2 4.15Å; E781-F787 WeakPolarHBondContact O-CB 3.48Å; E781-F787 WeakPolarHBondContact O-CG 3.48Å
782T95.4Very high94.4Very high13 Ų1343 Ų438%0.0823%0.225CC..Hα-helixtrans-62.4-26.3177.759.80000114.6L538 V554 L557 E778 L779 F787L538-T782 HydrophobicContact CD1-CG2 3.62Å; V554-T782 HydrophobicContact CB-CG2 4.4Å; V554-T782 HydrophobicContact CG1-CG2 4.11Å; V554-T782 HydrophobicContact CG2-CG2 3.74Å; L557-T782 HydrophobicContact CD1-CG2 4.31Å; E778-T782 WeakPolarHBondContact O-CG2 3.47Å; E778-T782 PolarHBondContact O-N 3.34Å; L779-T782 WeakPolarHBondContact CA-OG1 3.22Å; L779-T782 PolarHBondContact O-N 3.46Å; L779-T782 VanDerWaalsContact O-N 3.14Å; L779-T782 PolarHBondContact O-OG1 3.31Å; T782-F787 HydrophobicContact CG2-CE1 4.04Å; T782-F787 HydrophobicContact CG2-CZ 4.22Å
783F96.3Very high94.8Very high24 Ų2436.5 Ų36.511%0.10519%0.188CC..THydrogen-bonded Turntrans-93.12.8177.3-69-62.4000114F558 L566 H569 M570 V573 R615 L779 L780 E781F558-F783 HydrophobicContact CE1-CE1 4.27Å; F558-F783 HydrophobicContact CE1-CE2 4.04Å; F558-F783 AromaticContact CE1-CZ 3.71Å; F558-F783 HydrophobicContact CE1-CZ 3.71Å; F558-F783 HydrophobicContact CZ-CE1 4.09Å; F558-F783 AromaticContact CZ-CZ 3.99Å; F558-F783 HydrophobicContact CZ-CZ 3.99Å; L566-F783 HydrophobicContact CB-CZ 4.42Å; L566-F783 HydrophobicContact CD2-CE2 3.98Å; L566-F783 HydrophobicContact CD2-CZ 4Å; H569-F783 HydrophobicContact CB-CD2 3.61Å; H569-F783 HydrophobicContact CB-CE2 3.8Å; M570-F783 HydrophobicContact CE-CE1 4.38Å; M570-F783 HydrophobicContact CG-CD1 3.51Å; M570-F783 HydrophobicContact CG-CD2 4.21Å; M570-F783 HydrophobicContact CG-CE1 3.39Å; M570-F783 HydrophobicContact CG-CE2 4.11Å; M570-F783 HydrophobicContact CG-CG 3.93Å; M570-F783 HydrophobicContact CG-CZ 3.7Å; M570-F783 HydrophobicContact SD-CD1 4.38Å; M570-F783 HydrophobicContact SD-CE1 3.79Å; M570-F783 HydrophobicContact SD-CZ 4.18Å; V573-F783 HydrophobicContact CG2-CB 4.3Å; R615-F783 PolarHBondContact NH1-O 3.41Å; R615-F783 PolarHBondContact NH2-O 3.48Å; L779-F783 WeakPolarHBondContact O-CD2 3.4Å; L779-F783 PolarHBondContact O-N 2.93Å; L779-F783 VanDerWaalsContact O-N 3.16Å; L780-F783 PolarHBondContact O-N 3.5Å; E781-F783 PolarHBondContact O-N 3.37Å
784R96Very high94.9Very high109 Ų10934.2 Ų34.241%0.41118%0.18SC..  trans-72.9143.5170.5-82.5-175.9161.5-170-12.2112F534 L780 E781 F787 A788F534-R784 HydrophobicContact CE2-CB 4.43Å; L780-R784 PolarHBondContact O-N 3Å; E781-R784 WeakPolarHBondContact O-CB 3.39Å; E781-R784 PolarHBondContact O-N 3.05Å; E781-R784 VanDerWaalsContact O-N 3.08Å; R784-F787 HydrophobicContact CB-CB 4.18Å; R784-F787 PolarHBondContact O-N 3.24Å; R784-A788 PolarHBondContact O-N 3.29Å
785T96.1Very high94.8Very high3 Ų330.8 Ų30.82%0.01816%0.156CC..Hα-helixtrans-69.9-37.3-176.2-420000111.3F529 R615 L618 A788 L789F529-T785 HydrophobicContact CD1-CG2 4.15Å; F529-T785 HydrophobicContact CD2-CG2 3.82Å; F529-T785 VanDerWaalsContact CE1-CB 3.49Å; F529-T785 HydrophobicContact CE1-CG2 3.94Å; F529-T785 VanDerWaalsContact CE1-OG1 3.22Å; F529-T785 WeakPolarHBondContact CE1-OG1 3.44Å; F529-T785 HydrophobicContact CE2-CG2 3.58Å; F529-T785 HydrophobicContact CG-CG2 4.11Å; F529-T785 HydrophobicContact CZ-CG2 3.66Å; F529-T785 WeakPolarHBondContact CZ-OG1 3.19Å; R615-T785 HydrophobicContact CB-CG2 3.99Å; R615-T785 HydrophobicContact CG-CG2 4.36Å; R615-T785 PolarHBondContact NH1-OG1 3.46Å; L618-T785 HydrophobicContact CD1-CG2 3.31Å; T785-A788 PolarHBondContact O-N 3.09Å; T785-L789 HydrophobicContact CG2-CD1 4.36Å; T785-L789 WeakPolarHBondContact O-CB 3.39Å; T785-L789 VanDerWaalsContact O-CG 3.32Å; T785-L789 WeakPolarHBondContact O-CG 3.16Å; T785-L789 PolarHBondContact O-N 3.29Å
786E95.6Very high94.5Very high33 Ų3336.6 Ų36.615%0.15418%0.178CC..Hα-helixtrans-63.1-40176.2-54.387.6159.300111.9F529 L531 F534 R790F529-E786 HydrophobicContact CB-CG 4.06Å; L531-E786 HydrophobicContact CD2-CB 3.97Å; L531-E786 HydrophobicContact CD2-CG 4.31Å; F534-E786 HydrophobicContact CB-CB 3.91Å; F534-E786 HydrophobicContact CB-CG 4.28Å; F534-E786 HydrophobicContact CD1-CB 4Å; F534-E786 HydrophobicContact CD2-CB 3.45Å; F534-E786 VanDerWaalsContact CD2-CB 3.45Å; F534-E786 HydrophobicContact CD2-CG 4.06Å; F534-E786 HydrophobicContact CE1-CB 4.41Å; F534-E786 HydrophobicContact CE2-CB 3.95Å; F534-E786 HydrophobicContact CG-CB 3.48Å; F534-E786 VanDerWaalsContact CG-CB 3.48Å; F534-E786 HydrophobicContact CG-CG 4.25Å; F534-E786 HydrophobicContact CZ-CB 4.41Å; E786-R790 PolarHBondContact O-N 3.06Å
787F96.1Very high94.2Very high3 Ų334.6 Ų34.61%0.01317%0.173CC..Hα-helixtrans-62.6-48.7174.2-178.6-95000110.7F534 L538 L539 V550 V554 E781 T782 R784 R790 L791F534-F787 HydrophobicContact CE1-CB 4.25Å; F534-F787 HydrophobicContact CZ-CB 3.72Å; F534-F787 HydrophobicContact CZ-CD2 4.23Å; F534-F787 HydrophobicContact CZ-CG 4.5Å; L538-F787 HydrophobicContact CB-CE2 3.88Å; L538-F787 HydrophobicContact CB-CZ 4.3Å; L538-F787 HydrophobicContact CD1-CE2 4.47Å; L538-F787 HydrophobicContact CD1-CZ 4.43Å; L539-F787 HydrophobicContact CB-CD2 4.2Å; L539-F787 HydrophobicContact CB-CE2 3.89Å; L539-F787 HydrophobicContact CD2-CD2 4.5Å; V550-F787 HydrophobicContact CG1-CE2 4.38Å; V550-F787 HydrophobicContact CG1-CZ 3.88Å; V554-F787 HydrophobicContact CG2-CE1 4Å; V554-F787 HydrophobicContact CG2-CZ 3.86Å; E781-F787 HydrophobicContact CG-CD2 4.15Å; E781-F787 WeakPolarHBondContact O-CB 3.48Å; E781-F787 WeakPolarHBondContact O-CG 3.48Å; T782-F787 HydrophobicContact CG2-CE1 4.04Å; T782-F787 HydrophobicContact CG2-CZ 4.22Å; R784-F787 HydrophobicContact CB-CB 4.18Å; R784-F787 PolarHBondContact O-N 3.24Å; F787-R790 PolarHBondContact O-N 3.22Å; F787-L791 HydrophobicContact CD1-CD2 4.45Å; F787-L791 HydrophobicContact CE1-CD2 3.78Å; F787-L791 HydrophobicContact CZ-CD2 4.37Å; F787-L791 WeakPolarHBondContact O-CB 3.34Å; F787-L791 PolarHBondContact O-N 3.24Å
788A95.8Very high94Very high13 Ų1331.2 Ų31.211%0.10715%0.151CC..Hα-helixtrans-61.8-45.9177.700000112.3L618 R784 T785 R790 L791 F792L618-A788 HydrophobicContact CB-CB 4.17Å; R784-A788 PolarHBondContact O-N 3.29Å; T785-A788 PolarHBondContact O-N 3.09Å; A788-R790 PolarHBondContact O-N 2.8Å; A788-L791 PolarHBondContact O-N 2.99Å; A788-F792 HydrophobicContact CB-CD2 4.47Å; A788-F792 HydrophobicContact CB-CE2 3.91Å; A788-F792 HydrophobicContact CB-CZ 4.21Å; A788-F792 WeakPolarHBondContact O-CB 3.38Å; A788-F792 VanDerWaalsContact O-CD2 3.27Å; A788-F792 WeakPolarHBondContact O-CD2 3.26Å; A788-F792 VanDerWaalsContact O-CG 3.22Å; A788-F792 WeakPolarHBondContact O-CG 3.47Å; A788-F792 PolarHBondContact O-N 3.49Å
789L95.6Very high93.8Very high8 Ų831.8 Ų31.84%0.04216%0.16CC..Hα-helixtrans-53.6-52.7175-78.9164.1000111.5F529 L531 L618 T785 W793 A798 R805F529-L789 HydrophobicContact CB-CD1 4.2Å; F529-L789 HydrophobicContact CD2-CD1 4.48Å; L531-L789 HydrophobicContact CD2-CB 3.98Å; L531-L789 HydrophobicContact CD2-CD1 3.89Å; L618-L789 HydrophobicContact CD1-CD1 4.32Å; L618-L789 HydrophobicContact CD1-CD2 3.89Å; L618-L789 HydrophobicContact CD1-CG 3.68Å; L618-L789 HydrophobicContact CD2-CD2 4.25Å; L618-L789 HydrophobicContact CD2-CG 4.49Å; T785-L789 HydrophobicContact CG2-CD1 4.36Å; T785-L789 WeakPolarHBondContact O-CB 3.39Å; T785-L789 VanDerWaalsContact O-CG 3.32Å; T785-L789 WeakPolarHBondContact O-CG 3.16Å; T785-L789 PolarHBondContact O-N 3.29Å; L789-W793 HydrophobicContact CD2-CE3 4.37Å; L789-W793 HydrophobicContact CD2-CZ3 4.01Å; L789-W793 PolarHBondContact O-N 3.45Å; L789-A798 HydrophobicContact CB-CB 4.33Å; L789-R805 VanDerWaalsContact CD2-NH1 3.29Å
790R95.1Very high93.7Very high12 Ų1233.3 Ų33.35%0.04517%0.173CC..Hα-helixtrans-71.7-35-179.3-68.9-177.657.7148.94.7112.7L531 L539 P540 D541 N543 E786 F787 A788 G794 Q795 A798L531-R790 HydrophobicContact CD2-CG 4.21Å; L539-R790 HydrophobicContact CD2-CB 3.42Å; L539-R790 VanDerWaalsContact CD2-CB 3.42Å; P540-R790 PolarHBondContact O-NH2 3.3Å; D541-R790 VanDerWaalsContact C-NH2 3.25Å; D541-R790 PolarHBondContact O-NH2 3.29Å; N543-R790 PolarHBondContact ND2-O 3.07Å; N543-R790 PolarHBondContact OD1-NE 3.09Å; N543-R790 PolarHBondContact OD1-NH2 3.24Å; E786-R790 PolarHBondContact O-N 3.06Å; F787-R790 PolarHBondContact O-N 3.22Å; A788-R790 PolarHBondContact O-N 2.8Å; R790-G794 WeakPolarHBondContact O-CA 3.45Å; R790-G794 PolarHBondContact O-N 2.89Å; R790-Q795 VanDerWaalsContact NH1-OE1 3.11Å; R790-A798 HydrophobicContact CG-CB 4.17Å
791L95.3Very high93.5Very high8 Ų836 Ų364%0.04219%0.187CC..Hα-helixtrans-63.9-41.8176.6178.161.7000111.9L539 L546 V550 L551 F787 A788L539-L791 HydrophobicContact CD1-CD1 4.33Å; L546-L791 PolarHBondContact N-O 2.82Å; V550-L791 HydrophobicContact CB-CD1 4.2Å; V550-L791 HydrophobicContact CG1-CD1 3.99Å; L551-L791 HydrophobicContact CD2-CD1 4.11Å; L551-L791 HydrophobicContact CD2-CD2 4.07Å; L551-L791 HydrophobicContact CD2-CG 4.29Å; L551-L791 HydrophobicContact CG-CD1 4.33Å; F787-L791 HydrophobicContact CD1-CD2 4.45Å; F787-L791 HydrophobicContact CE1-CD2 3.78Å; F787-L791 HydrophobicContact CZ-CD2 4.37Å; F787-L791 WeakPolarHBondContact O-CB 3.34Å; F787-L791 PolarHBondContact O-N 3.24Å; A788-L791 PolarHBondContact O-N 2.99Å
792F95.2Very high93.4Very high10 Ų1037.6 Ų37.64%0.04419%0.194CC..Hα-helixtrans-79.7-39.5-174.8-61.2-23.2000113.6P545 L546 L618 L621 V625 A788 F809P545-F792 WeakPolarHBondContact CB-O 3.34Å; L546-F792 HydrophobicContact CD2-CD1 4.01Å; L618-F792 HydrophobicContact CD2-CD2 3.79Å; L618-F792 HydrophobicContact CD2-CE2 3.98Å; L621-F792 HydrophobicContact CB-CD2 4.4Å; L621-F792 HydrophobicContact CB-CE2 3.96Å; L621-F792 HydrophobicContact CD1-CD2 4.5Å; V625-F792 HydrophobicContact CG2-CE1 4.34Å; A788-F792 HydrophobicContact CB-CD2 4.47Å; A788-F792 HydrophobicContact CB-CE2 3.91Å; A788-F792 HydrophobicContact CB-CZ 4.21Å; A788-F792 WeakPolarHBondContact O-CB 3.38Å; A788-F792 VanDerWaalsContact O-CD2 3.27Å; A788-F792 WeakPolarHBondContact O-CD2 3.26Å; A788-F792 VanDerWaalsContact O-CG 3.22Å; A788-F792 WeakPolarHBondContact O-CG 3.47Å; A788-F792 PolarHBondContact O-N 3.49Å; F792-F809 HydrophobicContact CB-CD2 4.33Å; F792-F809 HydrophobicContact CB-CE2 3.65Å; F792-F809 HydrophobicContact CB-CZ 4.01Å; F792-F809 HydrophobicContact CD1-CE2 4.5Å; F792-F809 HydrophobicContact CD1-CZ 4.07Å; F792-F809 HydrophobicContact CG-CE2 4.13Å; F792-F809 AromaticContact CG-CZ 3.96Å; F792-F809 HydrophobicContact CG-CZ 3.96Å
793W95.2Very high93.2Very high23 Ų2343.7 Ų43.79%0.08722%0.22CC..Hα-helixtrans-117.31.9-176.2-59.3-85.6000115.4L618 L621 L789 G797 R805 Y806 F809L618-W793 HydrophobicContact CD2-CH2 3.54Å; L618-W793 HydrophobicContact CD2-CZ3 3.39Å; L621-W793 HydrophobicContact CD1-CH2 3.78Å; L621-W793 HydrophobicContact CD1-CZ2 3.99Å; L789-W793 HydrophobicContact CD2-CE3 4.37Å; L789-W793 HydrophobicContact CD2-CZ3 4.01Å; L789-W793 PolarHBondContact O-N 3.45Å; W793-G797 VanDerWaalsContact CB-C 3.41Å; W793-G797 WeakPolarHBondContact O-CA 3.37Å; W793-G797 PolarHBondContact O-N 3.47Å; W793-R805 HydrophobicContact CD2-CB 4.12Å; W793-R805 HydrophobicContact CD2-CG 3.97Å; W793-R805 HydrophobicContact CG-CB 4.49Å; W793-R805 HydrophobicContact CG-CG 4.02Å; W793-R805 HydrophobicContact CZ2-CB 3.89Å; W793-R805 PolarHBondContact NE1-O 2.68Å; W793-Y806 HydrophobicContact CH2-CD1 4.07Å; W793-Y806 AromaticContact CH2-CE1 3.98Å; W793-Y806 HydrophobicContact CH2-CE1 3.98Å; W793-Y806 AromaticContact CZ2-CD1 3.94Å; W793-Y806 HydrophobicContact CZ2-CD1 3.94Å; W793-Y806 HydrophobicContact CZ2-CE1 4.32Å; W793-F809 AromaticContact CE2-CD2 3.93Å; W793-F809 HydrophobicContact CZ2-CB 4Å; W793-F809 HydrophobicContact CZ2-CD2 4.1Å; W793-F809 HydrophobicContact CZ2-CG 4.08Å; W793-F809 AromaticContact NE1-CD2 3.76Å
794G93.1Very high93Very high2 Ų247 Ų472%0.02124%0.235CC..Hα-helixtrans70.8168.5-178.200000113.2R790 Q796 G797 A798R790-G794 WeakPolarHBondContact O-CA 3.45Å; R790-G794 PolarHBondContact O-N 2.89Å; G794-Q796 VanDerWaalsContact C-N 3.25Å; G794-Q796 PolarHBondContact O-N 2.91Å; G794-Q796 VanDerWaalsContact O-N 3.17Å; G794-G797 PolarHBondContact O-N 2.69Å; G794-G797 VanDerWaalsContact O-N 3.15Å; G794-A798 VanDerWaalsContact O-CB 3.29Å; G794-A798 WeakPolarHBondContact O-CB 3.48Å; G794-A798 PolarHBondContact O-N 2.87Å
795Q89.1Confident93Very high46 Ų4642.6 Ų42.622%0.21522%0.219CC..Hα-helixtrans-57.4-35.2-176175.256.55.300113.9N543 R790N543-Q795 PolarHBondContact O-N 3.31Å; R790-Q795 VanDerWaalsContact NH1-OE1 3.11Å
796Q86.6Confident92.9Very high184 Ų18444.3 Ų44.386%0.8623%0.225SC*.Hα-helixtrans-86.3-23179.8-68.1-179.4-9.400114.1G794 T799G794-Q796 VanDerWaalsContact C-N 3.25Å; G794-Q796 PolarHBondContact O-N 2.91Å; G794-Q796 VanDerWaalsContact O-N 3.17Å; Q796-T799 PolarHBondContact O-OG1 2.94Å
797G88.9Confident92.8Very high22 Ų2247.2 Ų47.223%0.22724%0.239CC..Hα-helixtrans-96-20.4-178.700000113.5W793 G794 T799 A800 R805W793-G797 VanDerWaalsContact CB-C 3.41Å; W793-G797 WeakPolarHBondContact O-CA 3.37Å; W793-G797 PolarHBondContact O-N 3.47Å; G794-G797 PolarHBondContact O-N 2.69Å; G794-G797 VanDerWaalsContact O-N 3.15Å; G797-T799 PolarHBondContact O-N 2.93Å; G797-A800 VanDerWaalsContact O-CB 3.3Å; G797-A800 WeakPolarHBondContact O-CB 3.45Å; G797-A800 PolarHBondContact O-N 3.24Å; G797-A800 VanDerWaalsContact O-N 3.17Å; G797-R805 WeakPolarHBondContact O-CD 3.4Å
798A91.1Very high92.7Very high4 Ų452.2 Ų52.23%0.03326%0.26CS..THydrogen-bonded Turntrans-66.7-25.217800000113.2L531 L789 R790 G794L531-A798 HydrophobicContact CD1-CB 3.71Å; L789-A798 HydrophobicContact CB-CB 4.33Å; R790-A798 HydrophobicContact CG-CB 4.17Å; G794-A798 VanDerWaalsContact O-CB 3.29Å; G794-A798 WeakPolarHBondContact O-CB 3.48Å; G794-A798 PolarHBondContact O-N 2.87Å
799T88.8Confident92.6Very high91 Ų9151.6 Ų51.656%0.55826%0.256SS*.THydrogen-bonded Turntrans-87.6-0.6174.853.40000113.9L531 Q796 G797L531-T799 HydrophobicContact CD1-CG2 4.11Å; Q796-T799 PolarHBondContact O-OG1 2.94Å; G797-T799 PolarHBondContact O-N 2.93Å
800A91.8Very high92.6Very high33 Ų3354.7 Ų54.727%0.27327%0.272SS..SBendtrans-74.9162.1174.900000111.9G797 R805G797-A800 VanDerWaalsContact O-CB 3.3Å; G797-A800 WeakPolarHBondContact O-CB 3.45Å; G797-A800 PolarHBondContact O-N 3.24Å; G797-A800 VanDerWaalsContact O-N 3.17Å; A800-R805 HydrophobicContact CB-CG 4.1Å; A800-R805 WeakPolarHBondContact O-CD 3.44Å; A800-R805 PolarHBondContact O-NE 3.29Å
801D92.2Very high92.6Very high99 Ų9959.7 Ų59.753%0.52929%0.294SS..  trans-54143-178.2171.363.3000113K803 E804 R805D801-K803 PolarHBondContact O-N 3.1Å; D801-K803 WeakPolarHBondContact OD2-CA 3.26Å; D801-K803 VanDerWaalsContact OD2-CB 3.28Å; D801-K803 WeakPolarHBondContact OD2-CB 3.3Å; D801-K803 PolarHBondContact OD2-N 2.88Å; D801-E804 HydrophobicContact CB-CB 4.22Å; D801-E804 PolarHBondContact O-N 3.17Å; D801-E804 PolarHBondContact OD2-N 2.81Å; D801-R805 VanDerWaalsContact O-CB 3.32Å; D801-R805 WeakPolarHBondContact O-CB 3.33Å; D801-R805 WeakPolarHBondContact O-CG 3.37Å; D801-R805 PolarHBondContact O-N 2.64Å
802K91.4Very high92.6Very high49 Ų4962.7 Ų62.721%0.21331%0.309CS..Hα-helixtrans-57.9-45.2-177.1-178.4172.1177.4175.50112.2E614 Y806E614-K802 WeakPolarHBondContact OE2-CD 3.43Å; E614-K802 WeakPolarHBondContact OE2-CG 3.27Å; K802-Y806 HydrophobicContact CD-CE2 4.47Å; K802-Y806 HydrophobicContact CG-CD2 4.35Å; K802-Y806 HydrophobicContact CG-CE1 4.31Å; K802-Y806 HydrophobicContact CG-CE2 3.77Å; K802-Y806 WeakPolarHBondContact O-CD1 3.46Å; K802-Y806 PolarHBondContact O-N 3.27Å; K802-Y806 VanDerWaalsContact O-N 3.1Å
803K91.6Very high92.6Very high141 Ų14162.2 Ų62.261%0.61331%0.307SS*.Hα-helixtrans-69.7-45.1179.5-179175.6174.9173.20110.9D801 R805 Y806 E807D801-K803 PolarHBondContact O-N 3.1Å; D801-K803 WeakPolarHBondContact OD2-CA 3.26Å; D801-K803 VanDerWaalsContact OD2-CB 3.28Å; D801-K803 WeakPolarHBondContact OD2-CB 3.3Å; D801-K803 PolarHBondContact OD2-N 2.88Å; K803-R805 PolarHBondContact O-N 2.77Å; K803-Y806 PolarHBondContact O-N 3.29Å; K803-E807 WeakPolarHBondContact CE-OE1 3.41Å; K803-E807 HydrophobicContact CG-CG 4.37Å; K803-E807 WeakPolarHBondContact O-CB 3.49Å; K803-E807 WeakPolarHBondContact O-CG 3.27Å; K803-E807 PolarHBondContact O-N 2.86Å
804E93.5Very high92.7Very high93 Ų9363 Ų6344%0.43532%0.316SS..Hα-helixtrans-61.9-42177-164.3-169.1-175.700112.2D801 K808D801-E804 HydrophobicContact CB-CB 4.22Å; D801-E804 PolarHBondContact O-N 3.17Å; D801-E804 PolarHBondContact OD2-N 2.81Å; E804-K808 HydrophobicContact CG-CD 4.24Å; E804-K808 WeakPolarHBondContact O-CB 3.33Å; E804-K808 WeakPolarHBondContact O-CG 3.38Å; E804-K808 PolarHBondContact O-N 3.42Å; E804-K808 VanDerWaalsContact O-N 3.1Å; E804-K808 WeakPolarHBondContact OE1-CE 3.45Å; E804-K808 IonicContact OE1-NZ 2.98Å; E804-K808 PolarHBondContact OE1-NZ 3Å; E804-K808 IonicContact OE2-NZ 2.67Å
805R94.8Very high92.8Very high18 Ų1866.4 Ų66.47%0.06834%0.336CS..Hα-helixtrans-56.4-51.2174.3-83.4-168.9-67.2113.9-4.1111.3E614 L789 W793 G797 A800 D801 K803 K808 F809E614-R805 IonicContact OE1-CZ 2.67Å; E614-R805 IonicContact OE1-NH1 3.87Å; E614-R805 PolarHBondContact OE1-NH1 3.27Å; E614-R805 IonicContact OE1-NH2 2.89Å; E614-R805 PolarHBondContact OE1-NH2 3.13Å; E614-R805 IonicContact OE2-CZ 2.79Å; E614-R805 IonicContact OE2-NH1 3.2Å; E614-R805 IonicContact OE2-NH2 2.98Å; E614-R805 PolarHBondContact OE2-NH2 3.42Å; L789-R805 VanDerWaalsContact CD2-NH1 3.29Å; W793-R805 HydrophobicContact CD2-CB 4.12Å; W793-R805 HydrophobicContact CD2-CG 3.97Å; W793-R805 HydrophobicContact CG-CB 4.49Å; W793-R805 HydrophobicContact CG-CG 4.02Å; W793-R805 HydrophobicContact CZ2-CB 3.89Å; W793-R805 PolarHBondContact NE1-O 2.68Å; G797-R805 WeakPolarHBondContact O-CD 3.4Å; A800-R805 HydrophobicContact CB-CG 4.1Å; A800-R805 WeakPolarHBondContact O-CD 3.44Å; A800-R805 PolarHBondContact O-NE 3.29Å; D801-R805 VanDerWaalsContact O-CB 3.32Å; D801-R805 WeakPolarHBondContact O-CB 3.33Å; D801-R805 WeakPolarHBondContact O-CG 3.37Å; D801-R805 PolarHBondContact O-N 2.64Å; K803-R805 PolarHBondContact O-N 2.77Å; R805-K808 PolarHBondContact O-N 3.47Å; R805-F809 WeakPolarHBondContact O-CB 3.26Å; R805-F809 VanDerWaalsContact O-N 3.09Å; R805-F809 PolarHBondContact O-N 3.48Å
806Y94.8Very high93Very high39 Ų3966.7 Ų66.715%0.15334%0.339CS..Hα-helixtrans-70.6-44.5-176.2-64.3-1.5000111.9E614 H617 W793 K802 K803 K808 F809 D810E614-Y806 WeakPolarHBondContact OE1-CE1 3.27Å; E614-Y806 PolarHBondContact OE1-OH 3.47Å; E614-Y806 PolarHBondContact OE2-OH 3.06Å; H617-Y806 HydrophobicContact CB-CE2 4.08Å; H617-Y806 AromaticContact CD2-CD1 3.71Å; H617-Y806 AromaticContact CD2-CD2 3.68Å; H617-Y806 AromaticContact CD2-CE1 3.48Å; H617-Y806 VanDerWaalsContact CD2-CE1 3.48Å; H617-Y806 WeakPolarHBondContact CD2-CE1 3.47Å; H617-Y806 AromaticContact CD2-CE2 3.43Å; H617-Y806 VanDerWaalsContact CD2-CE2 3.43Å; H617-Y806 WeakPolarHBondContact CD2-CE2 3.44Å; H617-Y806 AromaticContact CD2-CG 3.82Å; H617-Y806 AromaticContact CD2-CZ 3.34Å; H617-Y806 AromaticContact CG-CE2 3.63Å; H617-Y806 AromaticContact CG-CZ 3.75Å; H617-Y806 AromaticContact NE2-CD1 3.88Å; H617-Y806 AromaticContact NE2-CD2 3.66Å; H617-Y806 AromaticContact NE2-CE2 3.91Å; H617-Y806 AromaticContact NE2-CG 3.64Å; W793-Y806 HydrophobicContact CH2-CD1 4.07Å; W793-Y806 AromaticContact CH2-CE1 3.98Å; W793-Y806 HydrophobicContact CH2-CE1 3.98Å; W793-Y806 AromaticContact CZ2-CD1 3.94Å; W793-Y806 HydrophobicContact CZ2-CD1 3.94Å; W793-Y806 HydrophobicContact CZ2-CE1 4.32Å; K802-Y806 HydrophobicContact CD-CE2 4.47Å; K802-Y806 HydrophobicContact CG-CD2 4.35Å; K802-Y806 HydrophobicContact CG-CE1 4.31Å; K802-Y806 HydrophobicContact CG-CE2 3.77Å; K802-Y806 WeakPolarHBondContact O-CD1 3.46Å; K802-Y806 PolarHBondContact O-N 3.27Å; K802-Y806 VanDerWaalsContact O-N 3.1Å; K803-Y806 PolarHBondContact O-N 3.29Å; Y806-K808 PolarHBondContact O-N 2.9Å; Y806-F809 PolarHBondContact O-N 2.77Å; Y806-D810 PolarHBondContact O-N 3.05Å
807E93.7Very high93.5Very high94 Ų9458 Ų5844%0.43930%0.298SS..Hα-helixtrans-60.6-31.1176.7-83.2-166.8-146.400113.6K803 K811K803-E807 WeakPolarHBondContact CE-OE1 3.41Å; K803-E807 HydrophobicContact CG-CG 4.37Å; K803-E807 WeakPolarHBondContact O-CB 3.49Å; K803-E807 WeakPolarHBondContact O-CG 3.27Å; K803-E807 PolarHBondContact O-N 2.86Å; E807-K811 WeakPolarHBondContact O-CD 3.39Å; E807-K811 WeakPolarHBondContact O-CE 3.46Å; E807-K811 WeakPolarHBondContact O-CG 3.48Å; E807-K811 PolarHBondContact O-NZ 3Å; E807-K811 IonicContact OE2-NZ 3.01Å
808K93.3Very high93.8Very high107 Ų10760 Ų6047%0.46530%0.304SS..Hα-helixtrans-75.5-38.2172.4-75.8174.1180170.60111.5E804 R805 Y806 I812E804-K808 HydrophobicContact CG-CD 4.24Å; E804-K808 WeakPolarHBondContact O-CB 3.33Å; E804-K808 WeakPolarHBondContact O-CG 3.38Å; E804-K808 PolarHBondContact O-N 3.42Å; E804-K808 VanDerWaalsContact O-N 3.1Å; E804-K808 WeakPolarHBondContact OE1-CE 3.45Å; E804-K808 IonicContact OE1-NZ 2.98Å; E804-K808 PolarHBondContact OE1-NZ 3Å; E804-K808 IonicContact OE2-NZ 2.67Å; R805-K808 PolarHBondContact O-N 3.47Å; Y806-K808 PolarHBondContact O-N 2.9Å; K808-I812 WeakPolarHBondContact O-CG1 3.48Å; K808-I812 PolarHBondContact O-N 2.73Å
809F94.6Very high93.9Very high1 Ų167.2 Ų67.20%0.00433%0.334CS..Hα-helixtrans-74.9-38.8-174.7-152.7-94.4000113L546 L621 V625 F792 W793 R805 Y806 K811 I812 L813L546-F809 HydrophobicContact CD1-CE2 4.09Å; L546-F809 HydrophobicContact CD1-CZ 4.38Å; L546-F809 HydrophobicContact CD2-CE2 4.13Å; L546-F809 HydrophobicContact CD2-CZ 4.07Å; L546-F809 HydrophobicContact CG-CE2 4.32Å; L621-F809 HydrophobicContact CB-CE1 4.2Å; L621-F809 HydrophobicContact CD1-CD1 3.8Å; L621-F809 HydrophobicContact CD1-CE1 4.15Å; L621-F809 HydrophobicContact CD1-CG 4.34Å; L621-F809 HydrophobicContact CD2-CD1 3.85Å; L621-F809 HydrophobicContact CD2-CE1 4.22Å; L621-F809 HydrophobicContact CG-CD1 4.28Å; L621-F809 HydrophobicContact CG-CE1 4.42Å; V625-F809 HydrophobicContact CG2-CE1 3.58Å; V625-F809 HydrophobicContact CG2-CZ 3.54Å; F792-F809 HydrophobicContact CB-CD2 4.33Å; F792-F809 HydrophobicContact CB-CE2 3.65Å; F792-F809 HydrophobicContact CB-CZ 4.01Å; F792-F809 HydrophobicContact CD1-CE2 4.5Å; F792-F809 HydrophobicContact CD1-CZ 4.07Å; F792-F809 HydrophobicContact CG-CE2 4.13Å; F792-F809 AromaticContact CG-CZ 3.96Å; F792-F809 HydrophobicContact CG-CZ 3.96Å; W793-F809 AromaticContact CE2-CD2 3.93Å; W793-F809 HydrophobicContact CZ2-CB 4Å; W793-F809 HydrophobicContact CZ2-CD2 4.1Å; W793-F809 HydrophobicContact CZ2-CG 4.08Å; W793-F809 AromaticContact NE1-CD2 3.76Å; R805-F809 WeakPolarHBondContact O-CB 3.26Å; R805-F809 VanDerWaalsContact O-N 3.09Å; R805-F809 PolarHBondContact O-N 3.48Å; Y806-F809 PolarHBondContact O-N 2.77Å; F809-K811 PolarHBondContact O-N 3.36Å; F809-K811 VanDerWaalsContact C-N 3.28Å; F809-I812 HydrophobicContact CD2-CD1 4.42Å; F809-I812 WeakPolarHBondContact O-CA 3.25Å; F809-I812 WeakPolarHBondContact O-CB 3.38Å; F809-I812 PolarHBondContact O-N 3.02Å; F809-L813 PolarHBondContact O-N 2.86Å; F809-L813 HydrophobicContact CE1-CG 4.01Å; F809-L813 HydrophobicContact CE1-CD2 3.85Å; F809-L813 HydrophobicContact CE1-CD1 4.1Å; F809-L813 HydrophobicContact CD1-CD2 4.3Å; F809-L813 HydrophobicContact CD1-CD1 3.96Å; F809-L813 HydrophobicContact CD1-CG 3.94Å
810D94.6Very high94.1Very high72 Ų7264.5 Ų64.539%0.38532%0.317SS..Hα-helixtrans-56.1-43.2173.5-179.187.4000111.9Q672 Y806 I812 L813 C814Q672-D810 PolarHBondContact NE2-OD1 3.14Å; Y806-D810 PolarHBondContact O-N 3.05Å; D810-I812 VanDerWaalsContact C-N 3.29Å; D810-I812 PolarHBondContact O-N 3.4Å; D810-L813 PolarHBondContact O-N 3.32Å; D810-L813 VanDerWaalsContact O-N 3.15Å; D810-C814 PolarHBondContact O-N 2.87Å; D810-C814 PolarHBondContact O-SG 3.19Å
811K95.2Very high94.2Very high117 Ų11763.8 Ų63.851%0.50931%0.308SS..Hα-helixtrans-61.8-34.8175.1-64.6169.2-172.6120.50112.1E807 F809 V815E807-K811 WeakPolarHBondContact O-CD 3.39Å; E807-K811 WeakPolarHBondContact O-CE 3.46Å; E807-K811 WeakPolarHBondContact O-CG 3.48Å; E807-K811 PolarHBondContact O-NZ 3Å; E807-K811 IonicContact OE2-NZ 3.01Å; F809-K811 PolarHBondContact O-N 3.36Å; F809-K811 VanDerWaalsContact C-N 3.28Å; K811-V815 WeakPolarHBondContact O-CG2 3.43Å; K811-V815 PolarHBondContact O-N 3.41Å
812I95.4Very high94.1Very high71 Ų7163.6 Ų63.636%0.36431%0.312SS..Hα-helixtrans-67.9-46.3173.3-65.8167.6000110.4L546 K808 F809 D810 C814 V815 L816L546-I812 HydrophobicContact CD1-CG2 4.27Å; K808-I812 WeakPolarHBondContact O-CG1 3.48Å; K808-I812 PolarHBondContact O-N 2.73Å; F809-I812 HydrophobicContact CD2-CD1 4.42Å; F809-I812 WeakPolarHBondContact O-CA 3.25Å; F809-I812 WeakPolarHBondContact O-CB 3.38Å; F809-I812 PolarHBondContact O-N 3.02Å; D810-I812 VanDerWaalsContact C-N 3.29Å; D810-I812 PolarHBondContact O-N 3.4Å; I812-C814 VanDerWaalsContact C-N 3.34Å; I812-C814 PolarHBondContact O-N 3.14Å; I812-V815 PolarHBondContact O-N 2.88Å; I812-L816 HydrophobicContact CG2-CD1 3.99Å; I812-L816 HydrophobicContact CG2-CG 4.36Å; I812-L816 WeakPolarHBondContact O-CG 3.39Å; I812-L816 PolarHBondContact O-N 3.36Å
813L95.8Very high93.6Very high0 Ų065.8 Ų65.80%033%0.329CS..Hα-helixtrans-63.7-38.3179.1-62.3-179.8000112.3L621 A624 V625 L628 M670 Q672 F809 D810 L816 S817L621-L813 HydrophobicContact CD2-CD1 3.8Å; A624-L813 HydrophobicContact CB-CD1 4.23Å; V625-L813 HydrophobicContact CG2-CD2 3.94Å; L628-L813 HydrophobicContact CD1-CB 4.02Å; L628-L813 HydrophobicContact CD1-CD2 3.9Å; L628-L813 HydrophobicContact CD1-CG 4.48Å; M670-L813 HydrophobicContact CE-CD1 3.64Å; Q672-L813 HydrophobicContact CG-CB 4.17Å; F809-L813 PolarHBondContact O-N 2.86Å; F809-L813 HydrophobicContact CE1-CG 4.01Å; F809-L813 HydrophobicContact CE1-CD2 3.85Å; F809-L813 HydrophobicContact CE1-CD1 4.1Å; F809-L813 HydrophobicContact CD1-CD2 4.3Å; F809-L813 HydrophobicContact CD1-CD1 3.96Å; F809-L813 HydrophobicContact CD1-CG 3.94Å; D810-L813 PolarHBondContact O-N 3.32Å; D810-L813 VanDerWaalsContact O-N 3.15Å; L813-L816 HydrophobicContact CD2-CD1 4.48Å; L813-L816 PolarHBondContact O-N 3.36Å; L813-S817 WeakPolarHBondContact O-CB 3.48Å; L813-S817 PolarHBondContact O-N 3.07Å
814C95.6Very high92.3Very high41 Ų4167.6 Ų67.628%0.27734%0.339SS..Hα-helixtrans-57.3-53.2171.9-67.50000111.1Q672 D810 I812 L816 S817 D818Q672-C814 PolarHBondContact NE2-SG 2.95Å; D810-C814 PolarHBondContact O-N 2.87Å; D810-C814 PolarHBondContact O-SG 3.19Å; I812-C814 VanDerWaalsContact C-N 3.34Å; I812-C814 PolarHBondContact O-N 3.14Å; C814-L816 VanDerWaalsContact C-N 3.28Å; C814-L816 PolarHBondContact O-N 2.94Å; C814-S817 PolarHBondContact O-N 3.36Å; C814-S817 VanDerWaalsContact O-N 3.13Å; C814-D818 PolarHBondContact O-N 3.49Å
815V95.5Very high90.3Very high73 Ų7369.2 Ų69.244%0.44236%0.356SS..Hα-helixtrans-63.4-30.6179.6169.70000112.7K811 I812 K819K811-V815 WeakPolarHBondContact O-CG2 3.43Å; K811-V815 PolarHBondContact O-N 3.41Å; I812-V815 PolarHBondContact O-N 2.88Å; V815-K819 WeakPolarHBondContact O-CG 3.15Å; V815-K819 PolarHBondContact O-N 3.4Å; V815-K819 WeakPolarHBondContact O-CD 3.33Å; V815-K819 WeakPolarHBondContact O-CB 3.19Å; V815-K819 HydrophobicContact CG1-CD 4.17Å
816L94.8Very high87.5Confident52 Ų5272.9 Ų72.927%0.27238%0.384SS..Hα-helixtrans-71.7-43.3172.8-71172.8000111.7L628 I812 L813 C814 K819 L820L628-L816 HydrophobicContact CB-CB 4.13Å; L628-L816 HydrophobicContact CB-CD1 4.47Å; I812-L816 HydrophobicContact CG2-CD1 3.99Å; I812-L816 HydrophobicContact CG2-CG 4.36Å; I812-L816 WeakPolarHBondContact O-CG 3.39Å; I812-L816 PolarHBondContact O-N 3.36Å; L813-L816 HydrophobicContact CD2-CD1 4.48Å; L813-L816 PolarHBondContact O-N 3.36Å; C814-L816 VanDerWaalsContact C-N 3.28Å; C814-L816 PolarHBondContact O-N 2.94Å; L816-K819 PolarHBondContact O-N 3.22Å; L816-L820 WeakPolarHBondContact O-CG 3.41Å; L816-L820 PolarHBondContact O-N 3.39Å; L816-L820 VanDerWaalsContact O-N 3.07Å
817S96.4Very high85.1Confident0 Ų076.6 Ų76.60%041%0.413CS..Hα-helixtrans-61.8-47.1176.7-169.90000111.9Q672 R675 L676 L813 C814 K819 L820 E821Q672-S817 WeakPolarHBondContact O-CB 3.41Å; Q672-S817 PolarHBondContact O-OG 3.24Å; R675-S817 VanDerWaalsContact CD-OG 3.27Å; R675-S817 WeakPolarHBondContact CD-OG 3.46Å; R675-S817 WeakPolarHBondContact CG-OG 3.36Å; L676-S817 WeakPolarHBondContact CD2-OG 3.47Å; L813-S817 WeakPolarHBondContact O-CB 3.48Å; L813-S817 PolarHBondContact O-N 3.07Å; C814-S817 PolarHBondContact O-N 3.36Å; C814-S817 VanDerWaalsContact O-N 3.13Å; S817-K819 PolarHBondContact O-N 2.96Å; S817-L820 PolarHBondContact O-N 2.84Å; S817-L820 VanDerWaalsContact O-N 3.13Å; S817-E821 PolarHBondContact O-N 2.73Å
818D94.3Very high82.6Confident65 Ų6581.1 Ų81.135%0.34843%0.434SS..Hα-helixtrans-60.7-29.4174.4-81.8-51.6000113.8R675 C814 P822R675-D818 IonicContact CZ-OD1 2.86Å; R675-D818 VanDerWaalsContact NH1-CG 3.32Å; R675-D818 IonicContact NH1-OD1 3.12Å; R675-D818 PolarHBondContact NH1-OD1 3.08Å; R675-D818 IonicContact NH1-OD2 3.96Å; R675-D818 IonicContact NH2-OD1 2.74Å; R675-D818 PolarHBondContact NH2-OD1 3.11Å; C814-D818 PolarHBondContact O-N 3.49Å; D818-P822 WeakPolarHBondContact O-CA 3.48Å; D818-P822 WeakPolarHBondContact O-CG 3.29Å; D818-P822 VanDerWaalsContact O-CA 3.28Å
819K93.6Very high79.8Confident155 Ų15584.7 Ų84.767%0.67445%0.452SS*.Hα-helixtrans-78.7-28.3175.5-78.1170.8-177.9173.90113.6V815 L816 S817V815-K819 WeakPolarHBondContact O-CG 3.15Å; V815-K819 PolarHBondContact O-N 3.4Å; V815-K819 WeakPolarHBondContact O-CD 3.33Å; V815-K819 WeakPolarHBondContact O-CB 3.19Å; V815-K819 HydrophobicContact CG1-CD 4.17Å; L816-K819 PolarHBondContact O-N 3.22Å; S817-K819 PolarHBondContact O-N 2.96Å
820L93.9Very high77.3Confident35 Ų3590.7 Ų90.718%0.18349%0.491CS..Hα-helixtrans-83.8-39.7179-70.7-176.2000112.7L628 T631 L816 S817L628-L820 HydrophobicContact CB-CD1 4.48Å; L628-L820 HydrophobicContact CD2-CD1 3.93Å; L628-L820 WeakPolarHBondContact O-CD1 3.39Å; T631-L820 HydrophobicContact CG2-CD2 4.41Å; L816-L820 WeakPolarHBondContact O-CG 3.41Å; L816-L820 PolarHBondContact O-N 3.39Å; L816-L820 VanDerWaalsContact O-N 3.07Å; S817-L820 PolarHBondContact O-N 2.84Å; S817-L820 VanDerWaalsContact O-N 3.13Å
821E93.8Very high74.6Confident18 Ų1890.5 Ų90.58%0.08451%0.506CS..SBendtrans-142.385.7179.8-63.1-173.4-151.900108.9R637 R675 L676 E677 M678 T679 S817R637-E821 IonicContact CZ-OE1 2.77Å; R637-E821 IonicContact NE-OE1 3.62Å; R637-E821 IonicContact NH2-OE1 3.43Å; R637-E821 PolarHBondContact NH2-OE1 2.91Å; R675-E821 PolarHBondContact NH2-O 3.1Å; L676-E821 VanDerWaalsContact CA-OE2 3.32Å; L676-E821 WeakPolarHBondContact CA-OE2 3.45Å; L676-E821 HydrophobicContact CD2-CB 4.06Å; L676-E821 HydrophobicContact CD2-CG 4.03Å; E677-E821 PolarHBondContact N-OE2 2.87Å; E677-E821 VanDerWaalsContact N-OE2 3.08Å; M678-E821 WeakPolarHBondContact CA-OE2 3.3Å; M678-E821 HydrophobicContact CB-CG 4.4Å; M678-E821 VanDerWaalsContact CB-OE2 3.26Å; M678-E821 WeakPolarHBondContact CB-OE2 3.44Å; M678-E821 HydrophobicContact CG-CG 4.45Å; M678-E821 WeakPolarHBondContact CG-OE2 3.26Å; M678-E821 PolarHBondContact N-OE2 3.37Å; T679-E821 WeakPolarHBondContact CB-OE1 3.47Å; T679-E821 PolarHBondContact N-OE1 3.42Å; T679-E821 VanDerWaalsContact N-OE1 3.11Å; T679-E821 PolarHBondContact OG1-OE1 3.24Å; S817-E821 PolarHBondContact O-N 2.73Å
822P89.1Confident72Confident95 Ų9590.9 Ų90.962%0.61752%0.519SS*.  trans-59.2144.2-178.7-23.432.9000112.4D818 E824D818-P822 WeakPolarHBondContact O-CA 3.48Å; D818-P822 WeakPolarHBondContact O-CG 3.29Å; D818-P822 VanDerWaalsContact O-CA 3.28Å; P822-E824 PolarHBondContact O-N 3.13Å
823V81.8Confident69.4Low95 Ų9595.8 Ų95.858%0.57655%0.545SS*.  trans-65.2121.6168.8-173.70000108.6V825V823-V825 VanDerWaalsContact C-N 3.29Å; V823-V825 PolarHBondContact O-N 3.34Å
824E64.8Low66.7Low178 Ų178105.2 Ų105.283%0.83260%0.603SS**  trans-6987.3171.8-71.2-170.4177.500110P822 S826P822-E824 PolarHBondContact O-N 3.13Å; E824-S826 VanDerWaalsContact C-N 3.28Å; E824-S826 PolarHBondContact O-N 2.86Å
825V51.1Low65.3Low128 Ų128108.5 Ų108.578%0.77662%0.619SS**  trans-65.793.3166.2-178.50000107.4V823 P827V823-V825 VanDerWaalsContact C-N 3.29Å; V823-V825 PolarHBondContact O-N 3.34Å; V825-P827 VanDerWaalsContact O-N 3.16Å; V825-P827 WeakPolarHBondContact O-CD 3.39Å
826S36.5Very low63.7Low95 Ų95110.3 Ų110.366%0.66463%0.628SS**PPolyproline II helixtrans-56.1119.8176.9-41.20000108.4E824 Q828E824-S826 VanDerWaalsContact C-N 3.28Å; E824-S826 PolarHBondContact O-N 2.86Å; S826-Q828 PolarHBondContact O-N 3.12Å; S826-Q828 VanDerWaalsContact O-N 3.12Å
827P43.9Very low62Low116 Ų116113.6 Ų113.675%0.75365%0.648SS**PPolyproline II helixtrans-62.6121.817825.1-32.5000108.1V825 Q829V825-P827 VanDerWaalsContact O-N 3.16Å; V825-P827 WeakPolarHBondContact O-CD 3.39Å; P827-Q829 PolarHBondContact O-N 2.7Å; P827-Q829 VanDerWaalsContact O-N 3.12Å
828Q40.8Very low60Low190 Ų190120.2 Ų120.289%0.88869%0.686SS**PPolyproline II helixtrans-53.9122.8173.2-72.7-176.9-24.800108.2S826S826-Q828 PolarHBondContact O-N 3.12Å; S826-Q828 VanDerWaalsContact O-N 3.12Å
829Q34.8Very low57.8Low182 Ų182123.7 Ų123.785%0.8571%0.707SS**PPolyproline II helixtrans-55.9129.4175-72-178.6-30.300108.3P827 G831P827-Q829 PolarHBondContact O-N 2.7Å; P827-Q829 VanDerWaalsContact O-N 3.12Å; Q829-G831 PolarHBondContact O-N 2.72Å
830P42.7Very low55.4Low126 Ų126121.6 Ų121.682%0.81871%0.709SS**  trans-61.2113.8175.525.3-32.6000107.8T832P830-T832 PolarHBondContact O-N 3.45Å
831G37.4Very low52.7Low68 Ų68127.8 Ų127.870%0.70175%0.747SS**  trans-56.9122.3-17000000111.7Q829 L833Q829-G831 PolarHBondContact O-N 2.72Å; G831-L833 PolarHBondContact O-N 3.44Å
832T40.7Very low49.5Very low126 Ų126136.2 Ų136.277%0.77380%0.798SS**  trans-61.2118.5179-38.20000109.6P830 T834P830-T832 PolarHBondContact O-N 3.45Å; T832-T834 HydrophobicContact CG2-CG2 4.45Å; T832-T834 PolarHBondContact O-N 3.48Å
833L40.7Very low46.2Very low174 Ų174139.7 Ų139.791%0.91181%0.813SS**  trans-76.8106.4171.7-76.5166.8000109.6G831G831-L833 PolarHBondContact O-N 3.44Å
834T39.7Very low43Very low198 Ų198143.7 Ų143.7100%1.21584%0.835SS**  trans-144.10164.455.30000109T832T832-T834 HydrophobicContact CG2-CG2 4.45Å; T832-T834 PolarHBondContact O-N 3.48Å

Retrieved 834 of 834 residues in 209.9 ms (Link to these results)

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