A0A087Y7M0_POEFO Loading...

UTP6 small subunit processome component

AlphaFold DB , UniProt , Accession A0A087Y7M0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 595 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
1M62.9Low81.8Confident123 Ų12383.9 Ų83.961%0.60642%0.419SS*.  0-57.40-167179.3-65.300111.3V5 H45M1-V5 WeakPolarHBondContact O-CG2 3.43Å; M1-V5 PolarHBondContact O-N 3.22Å; M1-H45 WeakPolarHBondContact CE-O 3.46Å; M1-H45 HydrophobicContact CG-CB 3.68Å; M1-H45 HydrophobicContact SD-CB 4.06Å
2A77.2Confident82.5Confident56 Ų5677.1 Ų77.146%0.46338%0.384SS..Hα-helixtrans-63.1-39.5178.200000113.4I4 V5 Q6A2-I4 PolarHBondContact O-N 3.23Å; A2-V5 PolarHBondContact O-N 2.93Å; A2-Q6 WeakPolarHBondContact O-CB 3.46Å; A2-Q6 PolarHBondContact O-N 3.02Å
3E79.9Confident82.8Confident161 Ų16177.2 Ų77.275%0.75239%0.386SS*.Hα-helixtrans-60.6-42.6178.5-169.3176.9-168.100113.4V5 Q6 Q7E3-V5 PolarHBondContact O-N 3.11Å; E3-Q6 PolarHBondContact O-N 3.49Å; E3-Q7 WeakPolarHBondContact O-CB 3.27Å; E3-Q7 PolarHBondContact O-N 3.36Å
4I81.5Confident83.2Confident77 Ų7778.1 Ų78.140%0.39540%0.4SS..Hα-helixtrans-66.7-37.8176.6-60.4172000111.2A2 R8A2-I4 PolarHBondContact O-N 3.23Å; I4-R8 WeakPolarHBondContact O-CG 3.48Å; I4-R8 PolarHBondContact O-N 3.48Å; I4-R8 VanDerWaalsContact O-N 3.17Å
5V83.2Confident83.8Confident1 Ų173.2 Ų73.21%0.00638%0.375CS..Hα-helixtrans-66-44175.3173.40000109.8M1 A2 E3 R8 I9 E41 Y42M1-V5 WeakPolarHBondContact O-CG2 3.43Å; M1-V5 PolarHBondContact O-N 3.22Å; A2-V5 PolarHBondContact O-N 2.93Å; E3-V5 PolarHBondContact O-N 3.11Å; V5-R8 PolarHBondContact O-N 2.89Å; V5-I9 WeakPolarHBondContact O-CG1 3.37Å; V5-I9 PolarHBondContact O-N 3.25Å; V5-I9 VanDerWaalsContact O-N 3.11Å; V5-E41 HydrophobicContact CG1-CB 3.88Å; V5-E41 HydrophobicContact CG2-CB 4.27Å; V5-Y42 HydrophobicContact CB-CE1 4.41Å; V5-Y42 HydrophobicContact CG1-CD2 4.13Å; V5-Y42 HydrophobicContact CG1-CE1 4.36Å; V5-Y42 HydrophobicContact CG1-CE2 3.87Å; V5-Y42 HydrophobicContact CG1-CG 4.45Å; V5-Y42 HydrophobicContact CG2-CD1 4.21Å; V5-Y42 HydrophobicContact CG2-CE1 4.26Å
6Q83.1Confident84.1Confident101 Ų10169.1 Ų69.147%0.47235%0.354SS..Hα-helixtrans-61.5-48.5179.6-171.7641600111.6A2 E3 R8 I9 E10A2-Q6 WeakPolarHBondContact O-CB 3.46Å; A2-Q6 PolarHBondContact O-N 3.02Å; E3-Q6 PolarHBondContact O-N 3.49Å; Q6-R8 VanDerWaalsContact C-N 3.32Å; Q6-R8 PolarHBondContact O-N 2.9Å; Q6-I9 PolarHBondContact O-N 3.05Å; Q6-E10 WeakPolarHBondContact CG-OE1 3.26Å; Q6-E10 PolarHBondContact NE2-OE1 2.8Å; Q6-E10 WeakPolarHBondContact O-CG 3.25Å; Q6-E10 PolarHBondContact O-N 3.08Å
7Q85.9Confident84.4Confident111 Ų11170 Ų7052%0.51936%0.356SS..Hα-helixtrans-56.6-44.1175.8-173-179.410.700112.2E3 I9 E10 D11E3-Q7 WeakPolarHBondContact O-CB 3.27Å; E3-Q7 PolarHBondContact O-N 3.36Å; Q7-I9 VanDerWaalsContact C-N 3.26Å; Q7-I9 PolarHBondContact O-N 3.37Å; Q7-E10 WeakPolarHBondContact O-CB 3.46Å; Q7-E10 PolarHBondContact O-N 3.32Å; Q7-E10 VanDerWaalsContact O-N 3.15Å; Q7-D11 VanDerWaalsContact O-CG 3.3Å; Q7-D11 PolarHBondContact O-N 3.29Å
8R85.1Confident84.6Confident66 Ų6667.3 Ų67.325%0.24934%0.342CS..Hα-helixtrans-66-26.7177.4-76.2-173.8-172.6157.814.3114I4 V5 Q6 R12 E41 H45 R98I4-R8 WeakPolarHBondContact O-CG 3.48Å; I4-R8 PolarHBondContact O-N 3.48Å; I4-R8 VanDerWaalsContact O-N 3.17Å; V5-R8 PolarHBondContact O-N 2.89Å; Q6-R8 VanDerWaalsContact C-N 3.32Å; Q6-R8 PolarHBondContact O-N 2.9Å; R8-R12 VanDerWaalsContact O-CG 3.28Å; R8-R12 WeakPolarHBondContact O-CG 3.37Å; R8-E41 WeakPolarHBondContact CD-OE1 3.37Å; R8-E41 WeakPolarHBondContact CD-OE2 3.15Å; R8-E41 IonicContact CZ-OE2 3.69Å; R8-E41 IonicContact NH1-OE1 3.9Å; R8-E41 IonicContact NH1-OE2 3.64Å; R8-E41 PolarHBondContact NH1-OE2 2.82Å; R8-H45 PolarHBondContact NH1-CE1 3.23Å; R8-H45 PolarHBondContact NH1-NE2 3.41Å; R8-H45 VanDerWaalsContact NH1-NE2 3.18Å; R8-H45 PolarHBondContact NH2-NE2 3.01Å; R8-R98 VanDerWaalsContact NH1-CZ 3.27Å
9I87.4Confident84.9Confident17 Ų1763.7 Ų63.79%0.08732%0.324CS..Hα-helixtrans-77.2-39.2173.5-63.6-60.4000109.9V5 Q6 Q7 D11 R12 V34 V37V5-I9 WeakPolarHBondContact O-CG1 3.37Å; V5-I9 PolarHBondContact O-N 3.25Å; V5-I9 VanDerWaalsContact O-N 3.11Å; Q6-I9 PolarHBondContact O-N 3.05Å; Q7-I9 VanDerWaalsContact C-N 3.26Å; Q7-I9 PolarHBondContact O-N 3.37Å; I9-D11 PolarHBondContact O-N 2.91Å; I9-R12 WeakPolarHBondContact O-CB 3.29Å; I9-R12 PolarHBondContact O-N 3.46Å; I9-R12 VanDerWaalsContact O-N 3.1Å; I9-V34 HydrophobicContact CG2-CG1 4.02Å; I9-V37 HydrophobicContact CD1-CB 4.31Å; I9-V37 HydrophobicContact CD1-CG1 3.75Å
10E86.8Confident85.1Confident97 Ų9763.9 Ų63.945%0.45332%0.323SS..Hα-helixtrans-60.9-42.1176.2-72.3169.6-172.400112.1Q6 Q7 R12 I13Q6-E10 WeakPolarHBondContact CG-OE1 3.26Å; Q6-E10 PolarHBondContact NE2-OE1 2.8Å; Q6-E10 WeakPolarHBondContact O-CG 3.25Å; Q6-E10 PolarHBondContact O-N 3.08Å; Q7-E10 WeakPolarHBondContact O-CB 3.46Å; Q7-E10 PolarHBondContact O-N 3.32Å; Q7-E10 VanDerWaalsContact O-N 3.15Å; E10-R12 PolarHBondContact O-N 2.69Å; E10-I13 HydrophobicContact CB-CD1 4.36Å; E10-I13 HydrophobicContact CG-CD1 4.26Å; E10-I13 WeakPolarHBondContact O-CB 3.3Å; E10-I13 WeakPolarHBondContact O-CG1 3.2Å; E10-I13 PolarHBondContact O-N 3.27Å
11D87.1Confident85.2Confident113 Ų11369 Ų6960%0.60434%0.339SS*.THydrogen-bonded Turntrans-58.2-18.5175.1-68.2-22.7000113.6Q7 I9Q7-D11 VanDerWaalsContact O-CG 3.3Å; Q7-D11 PolarHBondContact O-N 3.29Å; I9-D11 PolarHBondContact O-N 2.91Å
12R89.4Confident86.4Confident2 Ų264.5 Ų64.51%0.00832%0.318CS..THydrogen-bonded Turntrans-91-17.3179.8-55.2176.473.2-124.8-1.8112.9R8 I9 E10 E15 L16 E61R8-R12 VanDerWaalsContact O-CG 3.28Å; R8-R12 WeakPolarHBondContact O-CG 3.37Å; I9-R12 WeakPolarHBondContact O-CB 3.29Å; I9-R12 PolarHBondContact O-N 3.46Å; I9-R12 VanDerWaalsContact O-N 3.1Å; E10-R12 PolarHBondContact O-N 2.69Å; R12-E15 PolarHBondContact O-N 2.89Å; R12-L16 HydrophobicContact CB-CD1 4.01Å; R12-L16 HydrophobicContact CB-CG 4.35Å; R12-L16 WeakPolarHBondContact O-CB 3.24Å; R12-L16 VanDerWaalsContact O-CG 3.29Å; R12-L16 WeakPolarHBondContact O-CG 3.46Å; R12-L16 PolarHBondContact O-N 3.08Å; R12-E61 IonicContact NH2-OE1 3.54Å
13I87Confident86.7Confident78 Ų7864.1 Ų64.140%0.432%0.32SS..Hα-helixtrans-56-47.4-174-64.6173.1000111.5E10 E15 L16 E17E10-I13 HydrophobicContact CB-CD1 4.36Å; E10-I13 HydrophobicContact CG-CD1 4.26Å; E10-I13 WeakPolarHBondContact O-CB 3.3Å; E10-I13 WeakPolarHBondContact O-CG1 3.2Å; E10-I13 PolarHBondContact O-N 3.27Å; I13-E15 PolarHBondContact O-N 3.4Å; I13-L16 PolarHBondContact O-N 2.9Å; I13-E17 HydrophobicContact CG2-CG 4.15Å; I13-E17 WeakPolarHBondContact CG2-OE1 3.38Å; I13-E17 WeakPolarHBondContact O-CB 3.33Å; I13-E17 WeakPolarHBondContact O-CG 3.39Å; I13-E17 PolarHBondContact O-N 3.32Å
14P88.8Confident87.1Confident90 Ų9056.6 Ų56.658%0.58429%0.285SS*.Hα-helixtrans-60-43.4-178.4-24.235.1000113.3Q18P14-Q18 WeakPolarHBondContact O-CB 3.48Å; P14-Q18 PolarHBondContact O-N 3.25Å; P14-Q18 VanDerWaalsContact O-N 3.15Å
15E91.2Very high87.6Confident5 Ų553.5 Ų53.52%0.02327%0.268CS..Hα-helixtrans-63.7-47.1177.3177.9-154.8123.800111.4R12 I13 Q18 L19 I88 R91R12-E15 PolarHBondContact O-N 2.89Å; I13-E15 PolarHBondContact O-N 3.4Å; E15-Q18 PolarHBondContact O-N 3.27Å; E15-L19 HydrophobicContact CG-CD1 4.42Å; E15-L19 WeakPolarHBondContact O-CG 3.42Å; E15-L19 PolarHBondContact O-N 3.49Å; E15-I88 HydrophobicContact CG-CG1 4.36Å; E15-I88 VanDerWaalsContact OE1-CD1 3.24Å; E15-I88 WeakPolarHBondContact OE1-CD1 3.45Å; E15-I88 WeakPolarHBondContact OE1-CG1 3.49Å; E15-I88 VanDerWaalsContact OE2-CG1 3.29Å; E15-I88 WeakPolarHBondContact OE2-CG1 3.39Å; E15-R91 IonicContact OE2-CZ 3.05Å; E15-R91 IonicContact OE2-NH1 3.64Å; E15-R91 IonicContact OE2-NH2 3.39Å; E15-R91 PolarHBondContact OE2-NH2 3.05Å
16L89.8Confident88Confident8 Ų857.1 Ų57.14%0.04229%0.29CS..Hα-helixtrans-67.3-38.9-177.2-70.6176.8000112.4R12 I13 Q18 L19 E20 V30 I33 V34R12-L16 HydrophobicContact CB-CD1 4.01Å; R12-L16 HydrophobicContact CB-CG 4.35Å; R12-L16 WeakPolarHBondContact O-CB 3.24Å; R12-L16 VanDerWaalsContact O-CG 3.29Å; R12-L16 WeakPolarHBondContact O-CG 3.46Å; R12-L16 PolarHBondContact O-N 3.08Å; I13-L16 PolarHBondContact O-N 2.9Å; L16-Q18 VanDerWaalsContact C-N 3.28Å; L16-Q18 PolarHBondContact O-N 2.99Å; L16-L19 HydrophobicContact CD2-CD1 4.2Å; L16-L19 PolarHBondContact O-N 2.85Å; L16-E20 PolarHBondContact O-N 2.89Å; L16-E20 VanDerWaalsContact O-N 3.14Å; L16-V30 HydrophobicContact CB-CG1 3.9Å; L16-V30 HydrophobicContact CD1-CG1 4.37Å; L16-V30 HydrophobicContact CD2-CG1 4.37Å; L16-V30 HydrophobicContact CG-CG1 4.45Å; L16-I33 HydrophobicContact CD2-CG2 3.96Å; L16-V34 HydrophobicContact CD1-CG2 3.53Å
17E89.1Confident88.4Confident84 Ų8458.9 Ų58.939%0.39330%0.297SS..Hα-helixtrans-62.1-39.2171.8-74.8-173.5-171.300111.3I13 E20 R21I13-E17 HydrophobicContact CG2-CG 4.15Å; I13-E17 WeakPolarHBondContact CG2-OE1 3.38Å; I13-E17 WeakPolarHBondContact O-CB 3.33Å; I13-E17 WeakPolarHBondContact O-CG 3.39Å; I13-E17 PolarHBondContact O-N 3.32Å; E17-E20 PolarHBondContact O-N 3.4Å; E17-R21 WeakPolarHBondContact O-CB 3.18Å; E17-R21 VanDerWaalsContact O-CG 3.25Å; E17-R21 WeakPolarHBondContact O-CG 3.24Å; E17-R21 PolarHBondContact O-N 3.16Å; E17-R21 IonicContact OE2-CZ 2.99Å; E17-R21 IonicContact OE2-NH2 3.87Å; E17-R21 PolarHBondContact OE2-NH2 3.06Å
18Q88.3Confident88.7Confident21 Ų2162.1 Ų62.110%0.09831%0.309CS..Hα-helixtrans-69.9-37.8179.3-147.372.6-36.100112.1P14 E15 L16 E20 R21 V22 K80 E83 I84P14-Q18 WeakPolarHBondContact O-CB 3.48Å; P14-Q18 PolarHBondContact O-N 3.25Å; P14-Q18 VanDerWaalsContact O-N 3.15Å; E15-Q18 PolarHBondContact O-N 3.27Å; L16-Q18 VanDerWaalsContact C-N 3.28Å; L16-Q18 PolarHBondContact O-N 2.99Å; Q18-E20 VanDerWaalsContact C-N 3.26Å; Q18-E20 PolarHBondContact O-N 2.8Å; Q18-R21 PolarHBondContact O-N 2.72Å; Q18-V22 WeakPolarHBondContact O-CB 3.22Å; Q18-V22 WeakPolarHBondContact O-CG2 3.41Å; Q18-V22 PolarHBondContact O-N 3.43Å; Q18-K80 HydrophobicContact CG-CD 4Å; Q18-E83 PolarHBondContact NE2-OE2 3.37Å; Q18-I84 HydrophobicContact CB-CD1 4.31Å; Q18-I84 HydrophobicContact CB-CG1 4.1Å; Q18-I84 HydrophobicContact CG-CD1 4.21Å; Q18-I84 HydrophobicContact CG-CG1 4.26Å
19L89.1Confident89Confident0 Ų062 Ų620%031%0.311CS..Hα-helixtrans-59.5-36.8171.9-77.1171.7000112.4E15 L16 G23 L24 F25 I68 I84E15-L19 HydrophobicContact CG-CD1 4.42Å; E15-L19 WeakPolarHBondContact O-CG 3.42Å; E15-L19 PolarHBondContact O-N 3.49Å; L16-L19 HydrophobicContact CD2-CD1 4.2Å; L16-L19 PolarHBondContact O-N 2.85Å; L19-G23 PolarHBondContact O-N 3.44Å; L19-L24 HydrophobicContact CD2-CB 4.1Å; L19-L24 HydrophobicContact CD2-CD1 3.92Å; L19-L24 PolarHBondContact O-N 3.35Å; L19-F25 HydrophobicContact CB-CD2 4.17Å; L19-F25 HydrophobicContact CD1-CD2 4.34Å; L19-F25 HydrophobicContact CD2-CD2 3.94Å; L19-F25 HydrophobicContact CD2-CE2 4.17Å; L19-F25 HydrophobicContact CG-CD2 4.4Å; L19-F25 PolarHBondContact O-N 3.02Å; L19-F25 VanDerWaalsContact O-N 3.15Å; L19-I68 HydrophobicContact CD1-CD1 4.11Å; L19-I68 HydrophobicContact CD2-CD1 3.88Å; L19-I68 HydrophobicContact CD2-CG1 3.87Å; L19-I68 HydrophobicContact CD2-CG2 4.49Å; L19-I84 HydrophobicContact CD2-CD1 4.31Å; L19-I84 HydrophobicContact CD2-CG1 4.5Å; L19-I84 HydrophobicContact CD2-CG2 3.39Å; L19-I84 HydrophobicContact CG-CG2 3.93Å
20E89.8Confident89.2Confident67 Ų6761.9 Ų61.931%0.31331%0.311SS..Hα-helixtrans-72.8-48.2175.7-167.6-170.7136.600112.1L16 E17 Q18 V22 G23 K27 V30L16-E20 PolarHBondContact O-N 2.89Å; L16-E20 VanDerWaalsContact O-N 3.14Å; E17-E20 PolarHBondContact O-N 3.4Å; Q18-E20 VanDerWaalsContact C-N 3.26Å; Q18-E20 PolarHBondContact O-N 2.8Å; E20-V22 VanDerWaalsContact C-N 3.28Å; E20-V22 PolarHBondContact O-N 3.07Å; E20-G23 WeakPolarHBondContact O-CA 3.49Å; E20-G23 PolarHBondContact O-N 3.17Å; E20-K27 HydrophobicContact CG-CG 4.11Å; E20-K27 WeakPolarHBondContact OE1-CD 3.25Å; E20-K27 WeakPolarHBondContact OE1-CE 3.38Å; E20-K27 WeakPolarHBondContact OE1-CG 3.36Å; E20-K27 IonicContact OE1-NZ 3.52Å; E20-K27 WeakPolarHBondContact OE2-CG 3.43Å; E20-V30 HydrophobicContact CB-CG2 4.36Å
21R87.4Confident89.4Confident172 Ų17264.9 Ų64.965%0.64932%0.323SS*.Hα-helixtrans-61-36.6-178.9-74.2171-172.7178.86.8112.7E17 Q18 G23E17-R21 WeakPolarHBondContact O-CB 3.18Å; E17-R21 VanDerWaalsContact O-CG 3.25Å; E17-R21 WeakPolarHBondContact O-CG 3.24Å; E17-R21 PolarHBondContact O-N 3.16Å; E17-R21 IonicContact OE2-CZ 2.99Å; E17-R21 IonicContact OE2-NH2 3.87Å; E17-R21 PolarHBondContact OE2-NH2 3.06Å; Q18-R21 PolarHBondContact O-N 2.72Å; R21-G23 PolarHBondContact O-N 2.87Å
22V86.5Confident89.6Confident28 Ų2863 Ų6317%0.1732%0.318CS..THydrogen-bonded Turntrans-77.8-10.1177176.40000111.7Q18 E20 L24 Y77 K80 I84Q18-V22 WeakPolarHBondContact O-CB 3.22Å; Q18-V22 WeakPolarHBondContact O-CG2 3.41Å; Q18-V22 PolarHBondContact O-N 3.43Å; E20-V22 VanDerWaalsContact C-N 3.28Å; E20-V22 PolarHBondContact O-N 3.07Å; V22-L24 VanDerWaalsContact C-N 3.27Å; V22-L24 HydrophobicContact CB-CG 4.46Å; V22-L24 HydrophobicContact CG1-CD1 3.95Å; V22-L24 HydrophobicContact CG1-CG 3.88Å; V22-L24 PolarHBondContact O-N 3.39Å; V22-Y77 HydrophobicContact CB-CE1 4.25Å; V22-Y77 HydrophobicContact CG1-CD1 3.29Å; V22-Y77 HydrophobicContact CG1-CD2 4.46Å; V22-Y77 HydrophobicContact CG1-CE1 3.12Å; V22-Y77 HydrophobicContact CG1-CE2 4.3Å; V22-Y77 HydrophobicContact CG1-CG 3.99Å; V22-Y77 HydrophobicContact CG2-CE1 4.01Å; V22-K80 HydrophobicContact CG2-CD 4.34Å; V22-I84 HydrophobicContact CG2-CD1 4.42Å
23G84.7Confident89.7Confident48 Ų4863.4 Ų63.450%0.49532%0.32SS..THydrogen-bonded Turntrans7514.9-179.200000113.8L19 E20 R21 F25L19-G23 PolarHBondContact O-N 3.44Å; E20-G23 WeakPolarHBondContact O-CA 3.49Å; E20-G23 PolarHBondContact O-N 3.17Å; R21-G23 PolarHBondContact O-N 2.87Å; G23-F25 VanDerWaalsContact C-N 3.3Å
24L88.6Confident89.9Confident3 Ų361.8 Ų61.82%0.01631%0.314CS..SBendtrans-71.4-29.5174.1-71.3169.3000111.3L19 V22 I68 R71 R72 I75 I84L19-L24 HydrophobicContact CD2-CB 4.1Å; L19-L24 HydrophobicContact CD2-CD1 3.92Å; L19-L24 PolarHBondContact O-N 3.35Å; V22-L24 VanDerWaalsContact C-N 3.27Å; V22-L24 HydrophobicContact CB-CG 4.46Å; V22-L24 HydrophobicContact CG1-CD1 3.95Å; V22-L24 HydrophobicContact CG1-CG 3.88Å; V22-L24 PolarHBondContact O-N 3.39Å; L24-I68 HydrophobicContact CD1-CG2 4.38Å; L24-R71 HydrophobicContact CD2-CB 3.88Å; L24-R71 WeakPolarHBondContact O-CD 3.31Å; L24-R71 PolarHBondContact O-NH1 3.13Å; L24-R72 HydrophobicContact CD1-CG 4.05Å; L24-R72 HydrophobicContact CD2-CG 3.76Å; L24-I75 HydrophobicContact CD2-CD1 4.34Å; L24-I84 HydrophobicContact CD1-CD1 4.36Å
25F91.9Very high90.1Very high11 Ų1165.5 Ų65.55%0.04832%0.321CS..SBendtrans-135.5149.1176.7-75.6-99.7000111.3L19 G23 E29 V30 I33 L67 I68 R71L19-F25 HydrophobicContact CB-CD2 4.17Å; L19-F25 HydrophobicContact CD1-CD2 4.34Å; L19-F25 HydrophobicContact CD2-CD2 3.94Å; L19-F25 HydrophobicContact CD2-CE2 4.17Å; L19-F25 HydrophobicContact CG-CD2 4.4Å; L19-F25 PolarHBondContact O-N 3.02Å; L19-F25 VanDerWaalsContact O-N 3.15Å; G23-F25 VanDerWaalsContact C-N 3.3Å; F25-E29 WeakPolarHBondContact CA-OE2 3.09Å; F25-E29 HydrophobicContact CB-CB 4.45Å; F25-E29 HydrophobicContact CD1-CB 3.85Å; F25-V30 HydrophobicContact CB-CG2 3.94Å; F25-I33 HydrophobicContact CD1-CD1 3.8Å; F25-I33 HydrophobicContact CE1-CD1 3.78Å; F25-L67 HydrophobicContact CE1-CD2 3.77Å; F25-L67 HydrophobicContact CE1-CG 4.47Å; F25-L67 HydrophobicContact CZ-CB 4.48Å; F25-L67 HydrophobicContact CZ-CD2 3.74Å; F25-L67 HydrophobicContact CZ-CG 3.98Å; F25-I68 HydrophobicContact CE2-CD1 4.44Å; F25-I68 HydrophobicContact CE2-CG1 3.52Å; F25-I68 HydrophobicContact CZ-CG1 4.08Å; F25-R71 VanDerWaalsContact CD1-NH1 3.31Å
26T91.6Very high90.1Very high77 Ų7770.6 Ų70.647%0.47234%0.343SS..  trans-83156.5172.467.80000111.3K28 E29 V30T26-K28 PolarHBondContact O-N 2.77Å; T26-K28 VanDerWaalsContact O-N 3.07Å; T26-E29 PolarHBondContact N-OE2 3.19Å; T26-E29 PolarHBondContact O-N 3.07Å; T26-E29 VanDerWaalsContact OG1-CG 3.31Å; T26-E29 WeakPolarHBondContact OG1-CG 3.43Å; T26-E29 PolarHBondContact OG1-N 3.17Å; T26-E29 PolarHBondContact OG1-OE2 2.96Å; T26-V30 PolarHBondContact O-N 2.9Å
27K90.5Very high90.1Very high139 Ų13970.2 Ų70.260%0.60434%0.341SS*.Hα-helixtrans-47.3-38171-76.2179.2177-178.80113.5E20 K31E20-K27 HydrophobicContact CG-CG 4.11Å; E20-K27 WeakPolarHBondContact OE1-CD 3.25Å; E20-K27 WeakPolarHBondContact OE1-CE 3.38Å; E20-K27 WeakPolarHBondContact OE1-CG 3.36Å; E20-K27 IonicContact OE1-NZ 3.52Å; E20-K27 WeakPolarHBondContact OE2-CG 3.43Å; K27-K31 WeakPolarHBondContact O-CG 3.11Å; K27-K31 PolarHBondContact O-N 3.36Å; K27-K31 VanDerWaalsContact O-N 3.16Å
28K92.7Very high90.2Very high178 Ų17868 Ų6877%0.77433%0.333SS*.Hα-helixtrans-69-42179.3-68.1-175.1-179178.80111.4T26 S32T26-K28 PolarHBondContact O-N 2.77Å; T26-K28 VanDerWaalsContact O-N 3.07Å; K28-S32 PolarHBondContact O-N 3.04Å
29E91.3Very high90.3Very high63 Ų6369.3 Ų69.329%0.29435%0.348SS..Hα-helixtrans-68.9-41.9177.9-66.3172.6133.100111.7F25 T26 K31 S32 I33 R71F25-E29 WeakPolarHBondContact CA-OE2 3.09Å; F25-E29 HydrophobicContact CB-CB 4.45Å; F25-E29 HydrophobicContact CD1-CB 3.85Å; T26-E29 PolarHBondContact N-OE2 3.19Å; T26-E29 PolarHBondContact O-N 3.07Å; T26-E29 VanDerWaalsContact OG1-CG 3.31Å; T26-E29 WeakPolarHBondContact OG1-CG 3.43Å; T26-E29 PolarHBondContact OG1-N 3.17Å; T26-E29 PolarHBondContact OG1-OE2 2.96Å; E29-K31 VanDerWaalsContact C-N 3.34Å; E29-K31 PolarHBondContact O-N 3.39Å; E29-S32 CarbonylContact O-C 3.53Å; E29-S32 WeakPolarHBondContact O-CA 3.39Å; E29-S32 VanDerWaalsContact O-CB 3.32Å; E29-S32 WeakPolarHBondContact O-CB 3.16Å; E29-S32 PolarHBondContact O-N 3.5Å; E29-S32 VanDerWaalsContact O-N 3.07Å; E29-I33 WeakPolarHBondContact O-CG1 3.4Å; E29-I33 PolarHBondContact O-N 3.36Å; E29-R71 IonicContact OE1-CZ 2.92Å; E29-R71 IonicContact OE1-NH1 3.62Å; E29-R71 PolarHBondContact OE1-NH1 3.25Å; E29-R71 IonicContact OE1-NH2 3.53Å; E29-R71 PolarHBondContact OE1-NH2 3.17Å; E29-R71 IonicContact OE2-CZ 2.82Å; E29-R71 IonicContact OE2-NH1 2.73Å; E29-R71 PolarHBondContact OE2-NH1 3.28Å; E29-R71 IonicContact OE2-NH2 3.76Å
30V91.3Very high90.3Very high16 Ų1669.9 Ų69.910%0.09735%0.351CS..Hα-helixtrans-58.2-46.2175.1173.20000110.9L16 E20 F25 T26 S32 I33 V34L16-V30 HydrophobicContact CB-CG1 3.9Å; L16-V30 HydrophobicContact CD1-CG1 4.37Å; L16-V30 HydrophobicContact CD2-CG1 4.37Å; L16-V30 HydrophobicContact CG-CG1 4.45Å; E20-V30 HydrophobicContact CB-CG2 4.36Å; F25-V30 HydrophobicContact CB-CG2 3.94Å; T26-V30 PolarHBondContact O-N 2.9Å; V30-S32 VanDerWaalsContact C-N 3.3Å; V30-S32 PolarHBondContact O-N 3.3Å; V30-I33 WeakPolarHBondContact O-CB 3.45Å; V30-I33 PolarHBondContact O-N 3.11Å; V30-I33 VanDerWaalsContact O-N 3.17Å; V30-V34 WeakPolarHBondContact O-CG2 3.32Å; V30-V34 PolarHBondContact O-N 3.08Å
31K91.1Very high90.3Very high160 Ų16066.9 Ų66.970%0.69634%0.337SS*.Hα-helixtrans-59.8-39.3174.2-74.4-179.3-179.5-173.10112.6K27 E29 V34 K35K27-K31 WeakPolarHBondContact O-CG 3.11Å; K27-K31 PolarHBondContact O-N 3.36Å; K27-K31 VanDerWaalsContact O-N 3.16Å; E29-K31 VanDerWaalsContact C-N 3.34Å; E29-K31 PolarHBondContact O-N 3.39Å; K31-V34 PolarHBondContact O-N 2.96Å; K31-K35 WeakPolarHBondContact O-CB 3.27Å; K31-K35 PolarHBondContact O-N 3.18Å
32S92.1Very high90.3Very high73 Ų7363.4 Ų63.451%0.5133%0.325SS..Hα-helixtrans-63.9-42.7175.4-169.50000111.7K28 E29 V30 K35 K36K28-S32 PolarHBondContact O-N 3.04Å; E29-S32 CarbonylContact O-C 3.53Å; E29-S32 WeakPolarHBondContact O-CA 3.39Å; E29-S32 VanDerWaalsContact O-CB 3.32Å; E29-S32 WeakPolarHBondContact O-CB 3.16Å; E29-S32 PolarHBondContact O-N 3.5Å; E29-S32 VanDerWaalsContact O-N 3.07Å; V30-S32 VanDerWaalsContact C-N 3.3Å; V30-S32 PolarHBondContact O-N 3.3Å; S32-K35 PolarHBondContact O-N 3.15Å; S32-K36 WeakPolarHBondContact O-CB 3.17Å; S32-K36 PolarHBondContact O-N 3.13Å
33I91.4Very high90.3Very high10 Ų1065.5 Ų65.55%0.05133%0.332CS..Hα-helixtrans-61.2-46.6176.5-70166.6000110.7L16 F25 E29 V30 K36 V37 Y60L16-I33 HydrophobicContact CD2-CG2 3.96Å; F25-I33 HydrophobicContact CD1-CD1 3.8Å; F25-I33 HydrophobicContact CE1-CD1 3.78Å; E29-I33 WeakPolarHBondContact O-CG1 3.4Å; E29-I33 PolarHBondContact O-N 3.36Å; V30-I33 WeakPolarHBondContact O-CB 3.45Å; V30-I33 PolarHBondContact O-N 3.11Å; V30-I33 VanDerWaalsContact O-N 3.17Å; I33-K36 PolarHBondContact O-N 3.42Å; I33-V37 HydrophobicContact CG2-CG2 4.42Å; I33-V37 WeakPolarHBondContact O-CB 3.49Å; I33-V37 WeakPolarHBondContact O-CG2 3.23Å; I33-V37 PolarHBondContact O-N 3.06Å; I33-Y60 WeakPolarHBondContact CA-OH 3.31Å
34V90.9Very high90.4Very high45 Ų4563.6 Ų63.627%0.27331%0.31SS..Hα-helixtrans-58.4-52.8176.2175.10000110.1I9 L16 V30 K31 K36 V37 T38I9-V34 HydrophobicContact CG2-CG1 4.02Å; L16-V34 HydrophobicContact CD1-CG2 3.53Å; V30-V34 WeakPolarHBondContact O-CG2 3.32Å; V30-V34 PolarHBondContact O-N 3.08Å; K31-V34 PolarHBondContact O-N 2.96Å; V34-K36 VanDerWaalsContact C-N 3.3Å; V34-K36 PolarHBondContact O-N 3.18Å; V34-V37 PolarHBondContact O-N 2.5Å; V34-T38 WeakPolarHBondContact O-CB 3.41Å; V34-T38 PolarHBondContact O-N 3.15Å; V34-T38 PolarHBondContact O-OG1 3.43Å
35K91.8Very high90.1Very high167 Ų16765 Ų6573%0.72632%0.316SS*.Hα-helixtrans-55.6-43.9180-175.2178.1-179.6178.90112.3K31 S32 A39K31-K35 WeakPolarHBondContact O-CB 3.27Å; K31-K35 PolarHBondContact O-N 3.18Å; S32-K35 PolarHBondContact O-N 3.15Å; K35-A39 PolarHBondContact O-N 3.36Å
36K91.9Very high89.8Confident112 Ų11270.8 Ų70.849%0.48734%0.338SS..Hα-helixtrans-69.7-42.1-178.7-169.866.5174.7-168.80112S32 I33 V34 A39 L40 Y60S32-K36 WeakPolarHBondContact O-CB 3.17Å; S32-K36 PolarHBondContact O-N 3.13Å; I33-K36 PolarHBondContact O-N 3.42Å; V34-K36 VanDerWaalsContact C-N 3.3Å; V34-K36 PolarHBondContact O-N 3.18Å; K36-A39 PolarHBondContact O-N 3.21Å; K36-L40 HydrophobicContact CG-CD1 4.31Å; K36-L40 WeakPolarHBondContact O-CG 3.38Å; K36-L40 PolarHBondContact O-N 3.04Å; K36-L40 VanDerWaalsContact O-N 3.11Å; K36-Y60 HydrophobicContact CB-CE2 4.28Å; K36-Y60 HydrophobicContact CG-CD2 4.11Å; K36-Y60 HydrophobicContact CG-CE1 4.33Å; K36-Y60 HydrophobicContact CG-CE2 3.59Å
37V90.7Very high88.8Confident0 Ų075.5 Ų75.50%036%0.359CS..Hα-helixtrans-68.7-40.2178172.40000111.7I9 I33 V34 A39 L40 E41 Y57 Y60I9-V37 HydrophobicContact CD1-CB 4.31Å; I9-V37 HydrophobicContact CD1-CG1 3.75Å; I33-V37 HydrophobicContact CG2-CG2 4.42Å; I33-V37 WeakPolarHBondContact O-CB 3.49Å; I33-V37 WeakPolarHBondContact O-CG2 3.23Å; I33-V37 PolarHBondContact O-N 3.06Å; V34-V37 PolarHBondContact O-N 2.5Å; V37-A39 VanDerWaalsContact C-N 3.28Å; V37-A39 PolarHBondContact O-N 3.4Å; V37-L40 PolarHBondContact O-N 3.5Å; V37-L40 VanDerWaalsContact O-N 3.1Å; V37-E41 HydrophobicContact CG1-CG 4.15Å; V37-E41 PolarHBondContact O-N 3.19Å; V37-Y57 HydrophobicContact CG1-CE2 4.17Å; V37-Y57 WeakPolarHBondContact CG1-OH 3.49Å; V37-Y57 HydrophobicContact CG2-CE2 4.39Å; V37-Y60 HydrophobicContact CG2-CD1 4.17Å; V37-Y60 HydrophobicContact CG2-CE1 3.56Å
38T89.6Confident88.3Confident37 Ų3775.4 Ų75.423%0.22736%0.364CS..Hα-helixtrans-55.4-45.8173.3-56.70000110.9V34 L40 E41 Y42V34-T38 WeakPolarHBondContact O-CB 3.41Å; V34-T38 PolarHBondContact O-N 3.15Å; V34-T38 PolarHBondContact O-OG1 3.43Å; T38-L40 PolarHBondContact O-N 2.9Å; T38-E41 PolarHBondContact O-N 3.39Å; T38-Y42 HydrophobicContact CG2-CD2 3.75Å; T38-Y42 HydrophobicContact CG2-CE2 3.5Å; T38-Y42 WeakPolarHBondContact O-CD2 3.4Å; T38-Y42 PolarHBondContact O-N 3.02Å
39A90.4Very high87.9Confident50 Ų5068 Ų6841%0.41333%0.334SS..Hα-helixtrans-62.9-39.3177.200000113.1K35 K36 V37 K43K35-A39 PolarHBondContact O-N 3.36Å; K36-A39 PolarHBondContact O-N 3.21Å; V37-A39 VanDerWaalsContact C-N 3.28Å; V37-A39 PolarHBondContact O-N 3.4Å; A39-K43 WeakPolarHBondContact O-CG 3.41Å; A39-K43 PolarHBondContact O-N 3.28Å
40L90.3Very high87.8Confident11 Ų1168.9 Ų68.96%0.05834%0.341CS..Hα-helixtrans-70.2-40.3177.5-69.4166.4000112.1K36 V37 T38 K43 L44 Y57 Y60K36-L40 HydrophobicContact CG-CD1 4.31Å; K36-L40 WeakPolarHBondContact O-CG 3.38Å; K36-L40 PolarHBondContact O-N 3.04Å; K36-L40 VanDerWaalsContact O-N 3.11Å; V37-L40 PolarHBondContact O-N 3.5Å; V37-L40 VanDerWaalsContact O-N 3.1Å; T38-L40 PolarHBondContact O-N 2.9Å; L40-K43 WeakPolarHBondContact O-CB 3.42Å; L40-K43 PolarHBondContact O-N 3.49Å; L40-L44 PolarHBondContact O-N 2.83Å; L40-L44 VanDerWaalsContact O-N 3.09Å; L40-Y57 HydrophobicContact CB-CD1 4.18Å; L40-Y57 HydrophobicContact CB-CD2 3.98Å; L40-Y57 HydrophobicContact CB-CE2 4.4Å; L40-Y57 HydrophobicContact CB-CG 3.89Å; L40-Y57 HydrophobicContact CD1-CD2 3.72Å; L40-Y57 HydrophobicContact CD1-CE2 4.4Å; L40-Y57 HydrophobicContact CD1-CG 4.22Å; L40-Y57 HydrophobicContact CG-CD2 4.42Å; L40-Y60 HydrophobicContact CD1-CD1 3.82Å; L40-Y60 HydrophobicContact CD1-CG 3.86Å
41E89.3Confident87.7Confident5 Ų570.9 Ų70.92%0.02335%0.348CS..Hα-helixtrans-64.2-40.5175.5-77.4-68.3173.200111.9V5 R8 V37 T38 K43 L44 H45 Y57V5-E41 HydrophobicContact CG1-CB 3.88Å; V5-E41 HydrophobicContact CG2-CB 4.27Å; R8-E41 WeakPolarHBondContact CD-OE1 3.37Å; R8-E41 WeakPolarHBondContact CD-OE2 3.15Å; R8-E41 IonicContact CZ-OE2 3.69Å; R8-E41 IonicContact NH1-OE1 3.9Å; R8-E41 IonicContact NH1-OE2 3.64Å; R8-E41 PolarHBondContact NH1-OE2 2.82Å; V37-E41 HydrophobicContact CG1-CG 4.15Å; V37-E41 PolarHBondContact O-N 3.19Å; T38-E41 PolarHBondContact O-N 3.39Å; E41-K43 VanDerWaalsContact C-N 3.3Å; E41-K43 PolarHBondContact O-N 3.34Å; E41-L44 PolarHBondContact O-N 2.98Å; E41-H45 PolarHBondContact O-N 3.38Å; E41-H45 PolarHBondContact O-ND1 2.93Å; E41-H45 IonicContact OE2-CE1 2.9Å; E41-H45 PolarHBondContact OE2-CE1 2.94Å; E41-H45 IonicContact OE2-ND1 3.71Å; E41-Y57 HydrophobicContact CG-CE1 4.06Å; E41-Y57 WeakPolarHBondContact OE1-CE1 3.39Å; E41-Y57 PolarHBondContact OE1-OH 3.3Å
42Y87.9Confident87.7Confident98 Ų9868.9 Ų68.938%0.38434%0.341SS..Hα-helixtrans-62-37.4172.9-84.5-65.3000112.3V5 T38 H45 R46V5-Y42 HydrophobicContact CB-CE1 4.41Å; V5-Y42 HydrophobicContact CG1-CD2 4.13Å; V5-Y42 HydrophobicContact CG1-CE1 4.36Å; V5-Y42 HydrophobicContact CG1-CE2 3.87Å; V5-Y42 HydrophobicContact CG1-CG 4.45Å; V5-Y42 HydrophobicContact CG2-CD1 4.21Å; V5-Y42 HydrophobicContact CG2-CE1 4.26Å; T38-Y42 HydrophobicContact CG2-CD2 3.75Å; T38-Y42 HydrophobicContact CG2-CE2 3.5Å; T38-Y42 WeakPolarHBondContact O-CD2 3.4Å; T38-Y42 PolarHBondContact O-N 3.02Å; Y42-H45 PolarHBondContact O-N 3.49Å; Y42-R46 WeakPolarHBondContact O-CG 3.42Å
43K87.3Confident87.7Confident73 Ų7366.4 Ų66.432%0.31732%0.322SS..Hα-helixtrans-62.8-41.2175-72.4176.6172.5-156.80112.2A39 L40 E41 H45 R46 D53A39-K43 WeakPolarHBondContact O-CG 3.41Å; A39-K43 PolarHBondContact O-N 3.28Å; L40-K43 WeakPolarHBondContact O-CB 3.42Å; L40-K43 PolarHBondContact O-N 3.49Å; E41-K43 VanDerWaalsContact C-N 3.3Å; E41-K43 PolarHBondContact O-N 3.34Å; K43-H45 VanDerWaalsContact C-N 3.26Å; K43-H45 PolarHBondContact O-N 2.89Å; K43-R46 WeakPolarHBondContact O-CG 3.15Å; K43-R46 PolarHBondContact O-N 3.39Å; K43-D53 HydrophobicContact CB-CB 4.38Å; K43-D53 IonicContact NZ-OD1 3.33Å
44L85.9Confident87.7Confident7 Ų766.4 Ų66.44%0.03732%0.322CS..Hα-helixtrans-69.8-17.5-179.5-70-156.2000115.1L40 E41 V49 D53 F54 Y57 I95L40-L44 PolarHBondContact O-N 2.83Å; L40-L44 VanDerWaalsContact O-N 3.09Å; E41-L44 PolarHBondContact O-N 2.98Å; L44-V49 HydrophobicContact CD2-CG1 4.46Å; L44-D53 HydrophobicContact CD2-CB 3.96Å; L44-F54 HydrophobicContact CD1-CD1 3.85Å; L44-F54 HydrophobicContact CD1-CE1 3.71Å; L44-F54 HydrophobicContact CD1-CG 4.32Å; L44-F54 HydrophobicContact CD1-CZ 4.09Å; L44-F54 HydrophobicContact CD2-CB 4.38Å; L44-F54 HydrophobicContact CD2-CD1 4.13Å; L44-F54 HydrophobicContact CD2-CD2 3.53Å; L44-F54 HydrophobicContact CD2-CE1 4.34Å; L44-F54 HydrophobicContact CD2-CE2 3.81Å; L44-F54 HydrophobicContact CD2-CG 3.73Å; L44-F54 HydrophobicContact CD2-CZ 4.2Å; L44-Y57 HydrophobicContact CD1-CD1 3.5Å; L44-Y57 VanDerWaalsContact CD1-CD1 3.5Å; L44-Y57 HydrophobicContact CD1-CE1 3.98Å; L44-Y57 HydrophobicContact CG-CD1 4Å; L44-I95 HydrophobicContact CD1-CG2 4.36Å
45H83.3Confident87.8Confident32 Ų3268 Ų6815%0.14833%0.328CS..THydrogen-bonded Turntrans-103.36.9178.8-63.594.7000113.9M1 R8 E41 Y42 K43M1-H45 WeakPolarHBondContact CE-O 3.46Å; M1-H45 HydrophobicContact CG-CB 3.68Å; M1-H45 HydrophobicContact SD-CB 4.06Å; R8-H45 PolarHBondContact NH1-CE1 3.23Å; R8-H45 PolarHBondContact NH1-NE2 3.41Å; R8-H45 VanDerWaalsContact NH1-NE2 3.18Å; R8-H45 PolarHBondContact NH2-NE2 3.01Å; E41-H45 PolarHBondContact O-N 3.38Å; E41-H45 PolarHBondContact O-ND1 2.93Å; E41-H45 IonicContact OE2-CE1 2.9Å; E41-H45 PolarHBondContact OE2-CE1 2.94Å; E41-H45 IonicContact OE2-ND1 3.71Å; Y42-H45 PolarHBondContact O-N 3.49Å; K43-H45 VanDerWaalsContact C-N 3.26Å; K43-H45 PolarHBondContact O-N 2.89Å
46R83.7Confident87.9Confident134 Ų13462.3 Ų62.351%0.50631%0.312SS..SBendtrans-60.7155.5174.9-67.9174.2178.8-173.4-4.9111.4Y42 K43 I48 V49Y42-R46 WeakPolarHBondContact O-CG 3.42Å; K43-R46 WeakPolarHBondContact O-CG 3.15Å; K43-R46 PolarHBondContact O-N 3.39Å; R46-I48 VanDerWaalsContact C-N 3.28Å; R46-I48 WeakPolarHBondContact CB-O 3.39Å; R46-I48 PolarHBondContact O-N 3.01Å; R46-V49 WeakPolarHBondContact O-CG2 3.41Å
47L71.3Confident88Confident176 Ų17657 Ų5792%0.92129%0.289SS*.SBendtrans-55.7-44.5176-81.7152.9000111.8
48I81.1Confident88.2Confident136 Ų13657.4 Ų57.470%0.69729%0.291SS*.SBendtrans-102113.3170.8-56172.8000106.8R46R46-I48 VanDerWaalsContact C-N 3.28Å; R46-I48 WeakPolarHBondContact CB-O 3.39Å; R46-I48 PolarHBondContact O-N 3.01Å
49V84.3Confident88.4Confident24 Ų2460.2 Ų60.215%0.14530%0.301CS..  trans-105.4124.5178-159.80000109.3L44 R46 F54 K102 W103L44-V49 HydrophobicContact CD2-CG1 4.46Å; R46-V49 WeakPolarHBondContact O-CG2 3.41Å; V49-F54 HydrophobicContact CG1-CD2 4.02Å; V49-F54 HydrophobicContact CG1-CE2 3.51Å; V49-K102 VanDerWaalsContact CB-NZ 3.26Å; V49-K102 PolarHBondContact O-NZ 3.35Å; V49-W103 WeakPolarHBondContact O-CZ2 3.34Å
50N87.9Confident88.6Confident81 Ų8160 Ų6043%0.43329%0.29SS..  trans-92.6152.4179.8-65.4-13.7000111E52 D53 W103N50-E52 VanDerWaalsContact C-N 3.34Å; N50-D53 PolarHBondContact O-N 2.71Å; N50-W103 WeakPolarHBondContact O-CH2 3.46Å
51K89.8Confident88.8Confident58 Ų5859.5 Ų59.525%0.25229%0.288SS..Hα-helixtrans-69.2-38.4-179.6-174.417766.4176.40111D53 F54 I55 W103 D106K51-D53 PolarHBondContact O-N 2.93Å; K51-F54 WeakPolarHBondContact O-CB 3.49Å; K51-F54 PolarHBondContact O-N 3.39Å; K51-I55 HydrophobicContact CD-CD1 4.46Å; K51-I55 HydrophobicContact CG-CD1 4.02Å; K51-I55 PolarHBondContact O-N 3.36Å; K51-W103 VanDerWaalsContact CA-CZ2 3.49Å; K51-W103 HydrophobicContact CB-CD2 4.03Å; K51-W103 HydrophobicContact CB-CE3 4.41Å; K51-W103 HydrophobicContact CB-CH2 4.24Å; K51-W103 HydrophobicContact CB-CZ2 3.82Å; K51-W103 HydrophobicContact CD-CD2 4.35Å; K51-W103 HydrophobicContact CD-CG 4.18Å; K51-W103 HydrophobicContact CG-CD2 3.99Å; K51-W103 HydrophobicContact CG-CE3 4.18Å; K51-W103 HydrophobicContact CG-CG 4.34Å; K51-W103 VanDerWaalsContact N-CZ2 3.34Å; K51-D106 WeakPolarHBondContact CD-OD2 3.47Å; K51-D106 IonicContact NZ-OD2 3.39Å; K51-D106 PolarHBondContact NZ-OD2 2.86Å
52E91Very high89Confident118 Ų11860.2 Ų60.255%0.55129%0.292SS*.Hα-helixtrans-60.5-32.5-179-62.368.6-146.400111.2N50 I55 A56N50-E52 VanDerWaalsContact C-N 3.34Å; E52-I55 PolarHBondContact O-N 2.84Å; E52-A56 WeakPolarHBondContact O-CB 3.45Å; E52-A56 PolarHBondContact O-N 3.05Å
53D91.4Very high89.3Confident21 Ų2159.2 Ų59.211%0.11229%0.293CS..Hα-helixtrans-69.1-37.1176.8-71.7-42.5000112K43 L44 N50 K51 Y57K43-D53 HydrophobicContact CB-CB 4.38Å; K43-D53 IonicContact NZ-OD1 3.33Å; L44-D53 HydrophobicContact CD2-CB 3.96Å; N50-D53 PolarHBondContact O-N 2.71Å; K51-D53 PolarHBondContact O-N 2.93Å; D53-Y57 WeakPolarHBondContact O-CB 3.2Å; D53-Y57 PolarHBondContact O-N 3.47Å; D53-Y57 VanDerWaalsContact O-N 3.09Å
54F92.8Very high89.6Confident9 Ų956.2 Ų56.24%0.03928%0.281CS..Hα-helixtrans-66.6-46.3172.4-85.8-93.1000111.2L44 V49 K51 A56 Y57 I58 I95 R98 A99 W103L44-F54 HydrophobicContact CD1-CD1 3.85Å; L44-F54 HydrophobicContact CD1-CE1 3.71Å; L44-F54 HydrophobicContact CD1-CG 4.32Å; L44-F54 HydrophobicContact CD1-CZ 4.09Å; L44-F54 HydrophobicContact CD2-CB 4.38Å; L44-F54 HydrophobicContact CD2-CD1 4.13Å; L44-F54 HydrophobicContact CD2-CD2 3.53Å; L44-F54 HydrophobicContact CD2-CE1 4.34Å; L44-F54 HydrophobicContact CD2-CE2 3.81Å; L44-F54 HydrophobicContact CD2-CG 3.73Å; L44-F54 HydrophobicContact CD2-CZ 4.2Å; V49-F54 HydrophobicContact CG1-CD2 4.02Å; V49-F54 HydrophobicContact CG1-CE2 3.51Å; K51-F54 WeakPolarHBondContact O-CB 3.49Å; K51-F54 PolarHBondContact O-N 3.39Å; F54-A56 VanDerWaalsContact C-N 3.35Å; F54-A56 PolarHBondContact O-N 3.24Å; F54-Y57 PolarHBondContact O-N 3.47Å; F54-I58 WeakPolarHBondContact O-CB 3.46Å; F54-I58 WeakPolarHBondContact O-CD1 3.44Å; F54-I58 VanDerWaalsContact O-CG1 3.25Å; F54-I58 WeakPolarHBondContact O-CG1 3.42Å; F54-I58 PolarHBondContact O-N 3.12Å; F54-I95 HydrophobicContact CD1-CG2 3.74Å; F54-I95 HydrophobicContact CE1-CG2 4.31Å; F54-R98 HydrophobicContact CE1-CB 3.77Å; F54-R98 HydrophobicContact CZ-CB 4.33Å; F54-A99 HydrophobicContact CB-CB 4.04Å; F54-A99 HydrophobicContact CD1-CB 3.63Å; F54-A99 HydrophobicContact CE1-CB 4.23Å; F54-A99 HydrophobicContact CG-CB 3.94Å; F54-W103 HydrophobicContact CB-CZ3 4.36Å; F54-W103 AromaticContact CD2-CH2 3.44Å; F54-W103 HydrophobicContact CD2-CH2 3.44Å; F54-W103 VanDerWaalsContact CD2-CH2 3.44Å; F54-W103 AromaticContact CD2-CZ3 3.3Å; F54-W103 HydrophobicContact CD2-CZ3 3.3Å; F54-W103 AromaticContact CE2-CH2 3.64Å; F54-W103 HydrophobicContact CE2-CH2 3.64Å; F54-W103 AromaticContact CE2-CZ3 3.58Å; F54-W103 HydrophobicContact CE2-CZ3 3.58Å; F54-W103 HydrophobicContact CG-CH2 4.42Å; F54-W103 AromaticContact CG-CZ3 3.91Å; F54-W103 HydrophobicContact CG-CZ3 3.91Å; F54-W103 HydrophobicContact CZ-CZ3 4.42Å
55I92.8Very high89.9Confident79 Ų7955.9 Ų55.941%0.40528%0.279SS..Hα-helixtrans-60.8-46.1178.8-65.2171.3000110.2K51 E52 Y57 I58 Q59K51-I55 HydrophobicContact CD-CD1 4.46Å; K51-I55 HydrophobicContact CG-CD1 4.02Å; K51-I55 PolarHBondContact O-N 3.36Å; E52-I55 PolarHBondContact O-N 2.84Å; I55-Y57 VanDerWaalsContact C-N 3.31Å; I55-Y57 PolarHBondContact O-N 3.04Å; I55-I58 PolarHBondContact O-N 3.08Å; I55-Q59 WeakPolarHBondContact O-CB 3.38Å; I55-Q59 PolarHBondContact O-N 3.09Å
56A93.3Very high90.4Very high48 Ų4857 Ų5740%0.39728%0.284SS..Hα-helixtrans-61.4-38.9178.500000112.3E52 F54 Y60E52-A56 WeakPolarHBondContact O-CB 3.45Å; E52-A56 PolarHBondContact O-N 3.05Å; F54-A56 VanDerWaalsContact C-N 3.35Å; F54-A56 PolarHBondContact O-N 3.24Å; A56-Y60 WeakPolarHBondContact O-CB 3.39Å; A56-Y60 PolarHBondContact O-N 2.69Å
57Y94.1Very high90.8Very high0 Ų053.7 Ų53.70%028%0.276CS..Hα-helixtrans-71.6-44177.5-172.3-170.9000112.1V37 L40 E41 L44 D53 F54 I55 Q59 Y60 E61 I95V37-Y57 HydrophobicContact CG1-CE2 4.17Å; V37-Y57 WeakPolarHBondContact CG1-OH 3.49Å; V37-Y57 HydrophobicContact CG2-CE2 4.39Å; L40-Y57 HydrophobicContact CB-CD1 4.18Å; L40-Y57 HydrophobicContact CB-CD2 3.98Å; L40-Y57 HydrophobicContact CB-CE2 4.4Å; L40-Y57 HydrophobicContact CB-CG 3.89Å; L40-Y57 HydrophobicContact CD1-CD2 3.72Å; L40-Y57 HydrophobicContact CD1-CE2 4.4Å; L40-Y57 HydrophobicContact CD1-CG 4.22Å; L40-Y57 HydrophobicContact CG-CD2 4.42Å; E41-Y57 HydrophobicContact CG-CE1 4.06Å; E41-Y57 WeakPolarHBondContact OE1-CE1 3.39Å; E41-Y57 PolarHBondContact OE1-OH 3.3Å; L44-Y57 HydrophobicContact CD1-CD1 3.5Å; L44-Y57 VanDerWaalsContact CD1-CD1 3.5Å; L44-Y57 HydrophobicContact CD1-CE1 3.98Å; L44-Y57 HydrophobicContact CG-CD1 4Å; D53-Y57 WeakPolarHBondContact O-CB 3.2Å; D53-Y57 PolarHBondContact O-N 3.47Å; D53-Y57 VanDerWaalsContact O-N 3.09Å; F54-Y57 PolarHBondContact O-N 3.47Å; I55-Y57 VanDerWaalsContact C-N 3.31Å; I55-Y57 PolarHBondContact O-N 3.04Å; Y57-Q59 VanDerWaalsContact C-N 3.32Å; Y57-Q59 PolarHBondContact O-N 3.39Å; Y57-Y60 WeakPolarHBondContact O-CB 3.38Å; Y57-Y60 PolarHBondContact O-N 3.19Å; Y57-E61 HydrophobicContact CD2-CG 3.82Å; Y57-E61 HydrophobicContact CE2-CG 3.53Å; Y57-E61 PolarHBondContact O-N 3.43Å; Y57-I95 HydrophobicContact CD1-CD1 3.86Å; Y57-I95 HydrophobicContact CD1-CG1 4.47Å; Y57-I95 HydrophobicContact CD1-CG2 4.45Å; Y57-I95 HydrophobicContact CD2-CD1 4.25Å; Y57-I95 HydrophobicContact CE1-CD1 3.58Å; Y57-I95 HydrophobicContact CE1-CG1 4.22Å; Y57-I95 HydrophobicContact CE2-CD1 4Å; Y57-I95 HydrophobicContact CG-CD1 4.16Å
58I94.1Very high91.7Very high8 Ų845.3 Ų45.34%0.04123%0.232CC..Hα-helixtrans-56-49.6173.7-72.4163.3000110.3F54 I55 Y60 E61 I62 I92 I95 F96F54-I58 WeakPolarHBondContact O-CB 3.46Å; F54-I58 WeakPolarHBondContact O-CD1 3.44Å; F54-I58 VanDerWaalsContact O-CG1 3.25Å; F54-I58 WeakPolarHBondContact O-CG1 3.42Å; F54-I58 PolarHBondContact O-N 3.12Å; I55-I58 PolarHBondContact O-N 3.08Å; I58-Y60 VanDerWaalsContact C-N 3.29Å; I58-Y60 PolarHBondContact O-N 3.05Å; I58-E61 PolarHBondContact O-N 3.38Å; I58-I62 HydrophobicContact CG2-CD1 3.7Å; I58-I62 HydrophobicContact CG2-CG1 4.4Å; I58-I62 VanDerWaalsContact O-CG1 3.31Å; I58-I62 WeakPolarHBondContact O-CG1 3.37Å; I58-I62 PolarHBondContact O-N 3.21Å; I58-I92 HydrophobicContact CG2-CG2 4.47Å; I58-I95 HydrophobicContact CD1-CG2 4Å; I58-I95 HydrophobicContact CG1-CB 4.14Å; I58-I95 HydrophobicContact CG1-CG2 3.54Å; I58-F96 HydrophobicContact CD1-CD1 3.61Å; I58-F96 HydrophobicContact CD1-CD2 4.32Å; I58-F96 HydrophobicContact CD1-CE1 3.78Å; I58-F96 HydrophobicContact CD1-CE2 4.46Å; I58-F96 HydrophobicContact CD1-CG 3.91Å; I58-F96 HydrophobicContact CD1-CZ 4.22Å; I58-F96 HydrophobicContact CG1-CD2 4.47Å; I58-F96 HydrophobicContact CG2-CD2 4.2Å; I58-F96 HydrophobicContact CG2-CE1 3.96Å; I58-F96 HydrophobicContact CG2-CE2 3.45Å; I58-F96 VanDerWaalsContact CG2-CE2 3.45Å; I58-F96 HydrophobicContact CG2-CZ 3.32Å
59Q93.9Very high92.2Very high96 Ų9644.9 Ų44.945%0.44923%0.225SC..Hα-helixtrans-61-40.6179.7-172.562.34900111.6I55 Y57 I62 N63I55-Q59 WeakPolarHBondContact O-CB 3.38Å; I55-Q59 PolarHBondContact O-N 3.09Å; Y57-Q59 VanDerWaalsContact C-N 3.32Å; Y57-Q59 PolarHBondContact O-N 3.39Å; Q59-I62 PolarHBondContact O-N 3.14Å; Q59-N63 PolarHBondContact NE2-OD1 2.72Å; Q59-N63 WeakPolarHBondContact O-CB 3.32Å; Q59-N63 PolarHBondContact O-N 3.11Å; Q59-N63 PolarHBondContact O-ND2 3.35Å; Q59-N63 PolarHBondContact O-OD1 3.33Å
60Y95.5Very high92.5Very high46 Ų4651.1 Ų51.118%0.1825%0.25CS..Hα-helixtrans-61.1-48.5176.6177.4-95.7000112I33 K36 V37 L40 A56 Y57 I58 N63 V64I33-Y60 WeakPolarHBondContact CA-OH 3.31Å; K36-Y60 HydrophobicContact CB-CE2 4.28Å; K36-Y60 HydrophobicContact CG-CD2 4.11Å; K36-Y60 HydrophobicContact CG-CE1 4.33Å; K36-Y60 HydrophobicContact CG-CE2 3.59Å; V37-Y60 HydrophobicContact CG2-CD1 4.17Å; V37-Y60 HydrophobicContact CG2-CE1 3.56Å; L40-Y60 HydrophobicContact CD1-CD1 3.82Å; L40-Y60 HydrophobicContact CD1-CG 3.86Å; A56-Y60 WeakPolarHBondContact O-CB 3.39Å; A56-Y60 PolarHBondContact O-N 2.69Å; Y57-Y60 WeakPolarHBondContact O-CB 3.38Å; Y57-Y60 PolarHBondContact O-N 3.19Å; I58-Y60 VanDerWaalsContact C-N 3.29Å; I58-Y60 PolarHBondContact O-N 3.05Å; Y60-N63 PolarHBondContact O-N 3.23Å; Y60-V64 HydrophobicContact CD1-CG2 4.37Å; Y60-V64 HydrophobicContact CE1-CG2 3.87Å; Y60-V64 HydrophobicContact CE2-CG2 4.37Å; Y60-V64 WeakPolarHBondContact O-CG2 3.41Å; Y60-V64 PolarHBondContact O-N 3Å
61E93.8Very high92.7Very high0 Ų050.1 Ų50.10%024%0.241CC..Hα-helixtrans-65.6-38.2178.6-72.5-75.7-169.500111.9R12 Y57 I58 N63 V64 L65 R91 I92 I95R12-E61 IonicContact NH2-OE1 3.54Å; Y57-E61 HydrophobicContact CD2-CG 3.82Å; Y57-E61 HydrophobicContact CE2-CG 3.53Å; Y57-E61 PolarHBondContact O-N 3.43Å; I58-E61 PolarHBondContact O-N 3.38Å; E61-N63 VanDerWaalsContact C-N 3.34Å; E61-N63 PolarHBondContact O-N 3.38Å; E61-V64 PolarHBondContact O-N 3.44Å; E61-L65 WeakPolarHBondContact O-CB 3.21Å; E61-L65 PolarHBondContact O-N 2.93Å; E61-R91 WeakPolarHBondContact OE1-CD 3.19Å; E61-R91 IonicContact OE1-CZ 3.42Å; E61-R91 IonicContact OE1-NH1 2.68Å; E61-R91 PolarHBondContact OE1-NH1 3.46Å; E61-R91 IonicContact OE2-NH1 3.52Å; E61-R91 PolarHBondContact OE2-NH1 3.33Å; E61-I92 HydrophobicContact CB-CD1 3.91Å; E61-I92 HydrophobicContact CB-CG1 3.52Å; E61-I92 HydrophobicContact CG-CG1 4.49Å; E61-I95 HydrophobicContact CG-CD1 4.43Å
62I93.6Very high92.7Very high21 Ų2147.8 Ų47.811%0.10823%0.23CC..Hα-helixtrans-60-45.2172.5-69.9171.7000110.7I58 Q59 V64 L65 E66 I92 F116I58-I62 HydrophobicContact CG2-CD1 3.7Å; I58-I62 HydrophobicContact CG2-CG1 4.4Å; I58-I62 VanDerWaalsContact O-CG1 3.31Å; I58-I62 WeakPolarHBondContact O-CG1 3.37Å; I58-I62 PolarHBondContact O-N 3.21Å; Q59-I62 PolarHBondContact O-N 3.14Å; I62-V64 VanDerWaalsContact C-N 3.33Å; I62-V64 PolarHBondContact O-N 2.98Å; I62-L65 PolarHBondContact O-N 2.92Å; I62-E66 HydrophobicContact CG2-CG 4.36Å; I62-E66 WeakPolarHBondContact O-CG 3.32Å; I62-E66 PolarHBondContact O-N 3.26Å; I62-I92 HydrophobicContact CG1-CD1 4.03Å; I62-I92 HydrophobicContact CG1-CG2 4.34Å; I62-F116 HydrophobicContact CD1-CD2 3.86Å; I62-F116 HydrophobicContact CD1-CE2 4.42Å; I62-F116 HydrophobicContact CG1-CD2 3.86Å; I62-F116 HydrophobicContact CG1-CE2 3.92Å
63N94.6Very high92.6Very high77 Ų7744.6 Ų44.641%0.41223%0.229SC..Hα-helixtrans-63.3-39.1179.4-68.8-10.8000111.9Q59 Y60 E61 E66 L67Q59-N63 PolarHBondContact NE2-OD1 2.72Å; Q59-N63 WeakPolarHBondContact O-CB 3.32Å; Q59-N63 PolarHBondContact O-N 3.11Å; Q59-N63 PolarHBondContact O-ND2 3.35Å; Q59-N63 PolarHBondContact O-OD1 3.33Å; Y60-N63 PolarHBondContact O-N 3.23Å; E61-N63 VanDerWaalsContact C-N 3.34Å; E61-N63 PolarHBondContact O-N 3.38Å; N63-E66 PolarHBondContact O-N 3.48Å; N63-L67 WeakPolarHBondContact O-CB 3.3Å; N63-L67 PolarHBondContact O-N 3.02Å
64V92.8Very high92.5Very high10 Ų1051.5 Ų51.56%0.06126%0.261CS..Hα-helixtrans-62.9-46.3174.6172.30000110.4Y60 E61 I62 E66 L67 I68Y60-V64 HydrophobicContact CD1-CG2 4.37Å; Y60-V64 HydrophobicContact CE1-CG2 3.87Å; Y60-V64 HydrophobicContact CE2-CG2 4.37Å; Y60-V64 WeakPolarHBondContact O-CG2 3.41Å; Y60-V64 PolarHBondContact O-N 3Å; E61-V64 PolarHBondContact O-N 3.44Å; I62-V64 VanDerWaalsContact C-N 3.33Å; I62-V64 PolarHBondContact O-N 2.98Å; V64-E66 PolarHBondContact O-N 3.2Å; V64-L67 WeakPolarHBondContact O-CB 3.43Å; V64-L67 PolarHBondContact O-N 3.35Å; V64-I68 HydrophobicContact CG1-CD1 4.07Å; V64-I68 WeakPolarHBondContact O-CG1 3.29Å; V64-I68 PolarHBondContact O-N 3.1Å
65L93.1Very high92.3Very high0 Ų055.3 Ų55.30%028%0.28CS..Hα-helixtrans-62.7-40.4178.3-172.862.2000112.5E61 I62 I68 K69 E85 I88 I89 I92 F116 W120E61-L65 WeakPolarHBondContact O-CB 3.21Å; E61-L65 PolarHBondContact O-N 2.93Å; I62-L65 PolarHBondContact O-N 2.92Å; L65-I68 PolarHBondContact O-N 3.42Å; L65-K69 PolarHBondContact O-N 3.34Å; L65-K69 VanDerWaalsContact O-N 3.07Å; L65-E85 HydrophobicContact CD1-CB 3.92Å; L65-E85 HydrophobicContact CD1-CG 3.71Å; L65-I88 HydrophobicContact CB-CG2 4.03Å; L65-I88 HydrophobicContact CD1-CB 4.19Å; L65-I88 HydrophobicContact CD1-CD1 4.21Å; L65-I88 HydrophobicContact CD1-CG2 4.13Å; L65-I88 HydrophobicContact CD2-CG2 4.43Å; L65-I88 HydrophobicContact CG-CG2 4.42Å; L65-I89 HydrophobicContact CD1-CG1 4.48Å; L65-I89 HydrophobicContact CD2-CD1 4.33Å; L65-I89 HydrophobicContact CD2-CG1 3.59Å; L65-I92 HydrophobicContact CD2-CD1 4.13Å; L65-F116 HydrophobicContact CD2-CE2 4.42Å; L65-W120 HydrophobicContact CB-CH2 4.49Å; L65-W120 HydrophobicContact CB-CZ2 4.29Å; L65-W120 HydrophobicContact CD1-CH2 4.33Å; L65-W120 HydrophobicContact CD1-CZ3 4.44Å; L65-W120 HydrophobicContact CD2-CD2 3.74Å; L65-W120 HydrophobicContact CD2-CE3 4.03Å; L65-W120 HydrophobicContact CD2-CG 4.41Å; L65-W120 HydrophobicContact CD2-CH2 3.76Å; L65-W120 HydrophobicContact CD2-CZ2 3.43Å; L65-W120 VanDerWaalsContact CD2-CZ2 3.43Å; L65-W120 HydrophobicContact CD2-CZ3 4.04Å; L65-W120 HydrophobicContact CG-CE3 4.49Å; L65-W120 HydrophobicContact CG-CH2 3.5Å; L65-W120 VanDerWaalsContact CG-CH2 3.5Å; L65-W120 HydrophobicContact CG-CZ2 3.54Å; L65-W120 HydrophobicContact CG-CZ3 3.99Å
66E92.7Very high91.9Very high55 Ų5557.5 Ų57.526%0.25729%0.293SS..Hα-helixtrans-66.3-38.6174.7-73.7-177.5-179.700112.6I62 N63 V64 K69 K70 K119 W120I62-E66 HydrophobicContact CG2-CG 4.36Å; I62-E66 WeakPolarHBondContact O-CG 3.32Å; I62-E66 PolarHBondContact O-N 3.26Å; N63-E66 PolarHBondContact O-N 3.48Å; V64-E66 PolarHBondContact O-N 3.2Å; E66-K69 PolarHBondContact O-N 3.05Å; E66-K70 WeakPolarHBondContact O-CG 3.45Å; E66-K70 PolarHBondContact O-N 3.36Å; E66-K119 IonicContact OE1-NZ 2.68Å; E66-K119 PolarHBondContact OE1-NZ 2.61Å; E66-W120 HydrophobicContact CG-CZ2 4.27Å
67L93.3Very high91.4Very high65 Ų6558 Ų5834%0.3429%0.285SS..Hα-helixtrans-63.7-42.7175.1-177.760.4000111.2F25 N63 V64 K69 K70 R71F25-L67 HydrophobicContact CE1-CD2 3.77Å; F25-L67 HydrophobicContact CE1-CG 4.47Å; F25-L67 HydrophobicContact CZ-CB 4.48Å; F25-L67 HydrophobicContact CZ-CD2 3.74Å; F25-L67 HydrophobicContact CZ-CG 3.98Å; N63-L67 WeakPolarHBondContact O-CB 3.3Å; N63-L67 PolarHBondContact O-N 3.02Å; V64-L67 WeakPolarHBondContact O-CB 3.43Å; V64-L67 PolarHBondContact O-N 3.35Å; L67-K69 VanDerWaalsContact C-N 3.33Å; L67-K69 PolarHBondContact O-N 3.36Å; L67-K70 PolarHBondContact O-N 2.72Å; L67-R71 HydrophobicContact CD1-CG 4.27Å; L67-R71 WeakPolarHBondContact O-CG 3.48Å; L67-R71 PolarHBondContact O-N 3.41Å
68I90.9Very high90.9Very high0 Ų063.9 Ų63.90%031%0.312CS..Hα-helixtrans-55.7-49.7173.1-70.3161.4000110.1L19 L24 F25 V64 L65 K70 R71 R72 I84 E85 I88L19-I68 HydrophobicContact CD1-CD1 4.11Å; L19-I68 HydrophobicContact CD2-CD1 3.88Å; L19-I68 HydrophobicContact CD2-CG1 3.87Å; L19-I68 HydrophobicContact CD2-CG2 4.49Å; L24-I68 HydrophobicContact CD1-CG2 4.38Å; F25-I68 HydrophobicContact CE2-CD1 4.44Å; F25-I68 HydrophobicContact CE2-CG1 3.52Å; F25-I68 HydrophobicContact CZ-CG1 4.08Å; V64-I68 HydrophobicContact CG1-CD1 4.07Å; V64-I68 WeakPolarHBondContact O-CG1 3.29Å; V64-I68 PolarHBondContact O-N 3.1Å; L65-I68 PolarHBondContact O-N 3.42Å; I68-K70 VanDerWaalsContact C-N 3.35Å; I68-K70 PolarHBondContact O-N 2.78Å; I68-R71 PolarHBondContact O-N 3.14Å; I68-R72 HydrophobicContact CG2-CG 4.5Å; I68-R72 WeakPolarHBondContact O-CG 3.42Å; I68-R72 PolarHBondContact O-N 3.33Å; I68-I84 HydrophobicContact CD1-CG2 4.25Å; I68-I84 HydrophobicContact CG2-CG2 4.21Å; I68-E85 HydrophobicContact CG2-CG 4.19Å; I68-I88 HydrophobicContact CD1-CD1 3.3Å
69K89.7Confident90.3Very high126 Ų12670.8 Ų70.855%0.54834%0.342SS..Hα-helixtrans-59-43.7179.6-169.2177.7-1781780112.1L65 E66 L67 G73 W120L65-K69 PolarHBondContact O-N 3.34Å; L65-K69 VanDerWaalsContact O-N 3.07Å; E66-K69 PolarHBondContact O-N 3.05Å; L67-K69 VanDerWaalsContact C-N 3.33Å; L67-K69 PolarHBondContact O-N 3.36Å; K69-G73 PolarHBondContact O-N 2.89Å; K69-W120 HydrophobicContact CB-CH2 4.38Å; K69-W120 HydrophobicContact CD-CH2 3.91Å; K69-W120 HydrophobicContact CD-CZ3 4.11Å
70K91.8Very high89.8Confident155 Ų15570.2 Ų70.267%0.67434%0.338SS*.Hα-helixtrans-63.8-45.7176.5-73.5-179.6-180179.80112.2E66 L67 I68 G73 H74E66-K70 WeakPolarHBondContact O-CG 3.45Å; E66-K70 PolarHBondContact O-N 3.36Å; L67-K70 PolarHBondContact O-N 2.72Å; I68-K70 VanDerWaalsContact C-N 3.35Å; I68-K70 PolarHBondContact O-N 2.78Å; K70-G73 PolarHBondContact O-N 3.38Å; K70-H74 PolarHBondContact O-N 3.28Å; K70-H74 VanDerWaalsContact O-N 3.09Å
71R92.1Very high89.3Confident60 Ų6074 Ų7423%0.22635%0.352CS..Hα-helixtrans-65.6-38.5-179.8-71.4-174.4-178.5-170.6-4112.2L24 F25 E29 L67 I68 G73 H74 I75L24-R71 HydrophobicContact CD2-CB 3.88Å; L24-R71 WeakPolarHBondContact O-CD 3.31Å; L24-R71 PolarHBondContact O-NH1 3.13Å; F25-R71 VanDerWaalsContact CD1-NH1 3.31Å; E29-R71 IonicContact OE1-CZ 2.92Å; E29-R71 IonicContact OE1-NH1 3.62Å; E29-R71 PolarHBondContact OE1-NH1 3.25Å; E29-R71 IonicContact OE1-NH2 3.53Å; E29-R71 PolarHBondContact OE1-NH2 3.17Å; E29-R71 IonicContact OE2-CZ 2.82Å; E29-R71 IonicContact OE2-NH1 2.73Å; E29-R71 PolarHBondContact OE2-NH1 3.28Å; E29-R71 IonicContact OE2-NH2 3.76Å; L67-R71 HydrophobicContact CD1-CG 4.27Å; L67-R71 WeakPolarHBondContact O-CG 3.48Å; L67-R71 PolarHBondContact O-N 3.41Å; I68-R71 PolarHBondContact O-N 3.14Å; R71-G73 VanDerWaalsContact C-N 3.33Å; R71-G73 PolarHBondContact O-N 3.16Å; R71-H74 PolarHBondContact O-N 2.98Å; R71-I75 WeakPolarHBondContact O-CG1 3.13Å; R71-I75 PolarHBondContact O-N 3.03Å
72R90.3Very high88.8Confident9 Ų980.8 Ų80.83%0.03438%0.384CS..Hα-helixtrans-59.7-42.3172.1-77.1-173.5176.7-92.612.5112.6L24 I68 H74 I75 N76 Y77 F79 K80 E85L24-R72 HydrophobicContact CD1-CG 4.05Å; L24-R72 HydrophobicContact CD2-CG 3.76Å; I68-R72 HydrophobicContact CG2-CG 4.5Å; I68-R72 WeakPolarHBondContact O-CG 3.42Å; I68-R72 PolarHBondContact O-N 3.33Å; R72-H74 VanDerWaalsContact C-N 3.32Å; R72-H74 PolarHBondContact O-N 3.02Å; R72-I75 PolarHBondContact O-N 2.94Å; R72-N76 VanDerWaalsContact O-CA 3.32Å; R72-N76 WeakPolarHBondContact O-CA 3.26Å; R72-N76 PolarHBondContact O-N 2.93Å; R72-Y77 WeakPolarHBondContact CB-O 3.44Å; R72-Y77 WeakPolarHBondContact CD-O 3.04Å; R72-Y77 VanDerWaalsContact CG-O 3.3Å; R72-Y77 WeakPolarHBondContact CG-O 3.47Å; R72-Y77 VanDerWaalsContact NH1-CD1 3.26Å; R72-Y77 PolarHBondContact NH1-O 3.45Å; R72-Y77 PolarHBondContact O-N 3.43Å; R72-Y77 VanDerWaalsContact O-N 3.15Å; R72-F79 VanDerWaalsContact CZ-O 3.31Å; R72-F79 PolarHBondContact NH1-O 2.91Å; R72-F79 PolarHBondContact NH2-O 3.22Å; R72-K80 PolarHBondContact NH2-O 3.38Å; R72-E85 VanDerWaalsContact CD-OE1 3.24Å; R72-E85 WeakPolarHBondContact CD-OE1 3.38Å; R72-E85 IonicContact CZ-OE1 2.71Å; R72-E85 IonicContact CZ-OE2 3.47Å; R72-E85 IonicContact NE-OE1 3.69Å; R72-E85 PolarHBondContact NE-OE1 3.42Å; R72-E85 IonicContact NE-OE2 3.38Å; R72-E85 IonicContact NH2-OE1 3.3Å; R72-E85 IonicContact NH2-OE2 2.71Å; R72-E85 PolarHBondContact NH2-OE2 2.89Å
73G89Confident88.4Confident52 Ų5284.4 Ų84.454%0.53640%0.401SS..Hα-helixtrans-63.1-37.7175.700000112.9K69 K70 R71K69-G73 PolarHBondContact O-N 2.89Å; K70-G73 PolarHBondContact O-N 3.38Å; R71-G73 VanDerWaalsContact C-N 3.33Å; R71-G73 PolarHBondContact O-N 3.16Å
74H89Confident88Confident166 Ų16680.8 Ų80.877%0.76938%0.381SS*.Hα-helixtrans-71.8-40.1177.5-176.6-79.1000113.3K70 R71 R72 N76K70-H74 PolarHBondContact O-N 3.28Å; K70-H74 VanDerWaalsContact O-N 3.09Å; R71-H74 PolarHBondContact O-N 2.98Å; R72-H74 VanDerWaalsContact C-N 3.32Å; R72-H74 PolarHBondContact O-N 3.02Å; H74-N76 VanDerWaalsContact C-N 3.32Å
75I87.4Confident87.8Confident88 Ų8880.7 Ų80.745%0.45138%0.38SS..Hα-helixtrans-87.8-7-177.9-58.1173.3000111.3L24 R71 R72 Y77L24-I75 HydrophobicContact CD2-CD1 4.34Å; R71-I75 WeakPolarHBondContact O-CG1 3.13Å; R71-I75 PolarHBondContact O-N 3.03Å; R72-I75 PolarHBondContact O-N 2.94Å; I75-Y77 VanDerWaalsContact C-N 3.28Å; I75-Y77 PolarHBondContact O-N 2.92Å
76N84.3Confident87.7Confident125 Ų12585.4 Ų85.467%0.66840%0.401SS*.THydrogen-bonded Turntrans53.541.6-174.6-160.229000113.1R72 H74 H78R72-N76 VanDerWaalsContact O-CA 3.32Å; R72-N76 WeakPolarHBondContact O-CA 3.26Å; R72-N76 PolarHBondContact O-N 2.93Å; H74-N76 VanDerWaalsContact C-N 3.32Å; N76-H78 PolarHBondContact OD1-NE2 3.27Å
77Y84.7Confident87.6Confident59 Ų5985.1 Ų85.123%0.23140%0.404CS..  trans-113.9111.1-178.5-178-91.3000111.7V22 R72 I75 F79V22-Y77 HydrophobicContact CB-CE1 4.25Å; V22-Y77 HydrophobicContact CG1-CD1 3.29Å; V22-Y77 HydrophobicContact CG1-CD2 4.46Å; V22-Y77 HydrophobicContact CG1-CE1 3.12Å; V22-Y77 HydrophobicContact CG1-CE2 4.3Å; V22-Y77 HydrophobicContact CG1-CG 3.99Å; V22-Y77 HydrophobicContact CG2-CE1 4.01Å; R72-Y77 WeakPolarHBondContact CB-O 3.44Å; R72-Y77 WeakPolarHBondContact CD-O 3.04Å; R72-Y77 VanDerWaalsContact CG-O 3.3Å; R72-Y77 WeakPolarHBondContact CG-O 3.47Å; R72-Y77 VanDerWaalsContact NH1-CD1 3.26Å; R72-Y77 PolarHBondContact NH1-O 3.45Å; R72-Y77 PolarHBondContact O-N 3.43Å; R72-Y77 VanDerWaalsContact O-N 3.15Å; I75-Y77 VanDerWaalsContact C-N 3.28Å; I75-Y77 PolarHBondContact O-N 2.92Å; Y77-F79 HydrophobicContact CD2-CD2 4.33Å; Y77-F79 HydrophobicContact CE1-CB 4.14Å; Y77-F79 WeakPolarHBondContact CE1-O 3.41Å; Y77-F79 HydrophobicContact CE2-CB 4.11Å; Y77-F79 HydrophobicContact CE2-CD2 4.01Å
78H81.5Confident87.4Confident124 Ų12482 Ų8257%0.57439%0.387SS*.  trans-112.20.5-171.9-64-67.5000115.3N76N76-H78 PolarHBondContact OD1-NE2 3.27Å
79F83.3Confident87.5Confident153 Ų15382.5 Ų82.567%0.67139%0.39SS*.  trans-82.5163.2-178.8-60.8-80.8000113.1R72 Y77 R81R72-F79 VanDerWaalsContact CZ-O 3.31Å; R72-F79 PolarHBondContact NH1-O 2.91Å; R72-F79 PolarHBondContact NH2-O 3.22Å; Y77-F79 HydrophobicContact CD2-CD2 4.33Å; Y77-F79 HydrophobicContact CE1-CB 4.14Å; Y77-F79 WeakPolarHBondContact CE1-O 3.41Å; Y77-F79 HydrophobicContact CE2-CB 4.11Å; Y77-F79 HydrophobicContact CE2-CD2 4.01Å; F79-R81 VanDerWaalsContact C-N 3.31Å; F79-R81 PolarHBondContact O-N 3.47Å
80K83.4Confident87.5Confident84 Ų8482.2 Ų82.237%0.36539%0.39SS..  trans60.929.3177.4-57.1-175.4171.4-177.20115.5Q18 V22 R72 E82 E83 I84Q18-K80 HydrophobicContact CG-CD 4Å; V22-K80 HydrophobicContact CG2-CD 4.34Å; R72-K80 PolarHBondContact NH2-O 3.38Å; K80-E82 PolarHBondContact O-N 3.48Å; K80-E83 HydrophobicContact CB-CB 4.44Å; K80-E83 PolarHBondContact O-N 3.06Å; K80-I84 HydrophobicContact CB-CD1 4.42Å; K80-I84 PolarHBondContact O-N 2.99Å
81R83.5Confident87.5Confident125 Ų12576.5 Ų76.547%0.47236%0.364SS..Hα-helixtrans-60.7-34.1178.3-172.8175.9176.8-170.2-5.4112.6F79 E85 F86F79-R81 VanDerWaalsContact C-N 3.31Å; F79-R81 PolarHBondContact O-N 3.47Å; R81-E85 VanDerWaalsContact CA-OE2 3.28Å; R81-E85 WeakPolarHBondContact CA-OE2 3.38Å; R81-E85 HydrophobicContact CG-CB 4.12Å; R81-E85 HydrophobicContact CG-CG 4.32Å; R81-E85 WeakPolarHBondContact O-CB 3.24Å; R81-E85 PolarHBondContact O-N 3.21Å; R81-F86 PolarHBondContact O-N 2.9Å
82E83.3Confident87.5Confident142 Ų14273.7 Ų73.766%0.66435%0.354SS*.Hα-helixtrans-71.7-30.6-179.9-53.8-171.1159.400112.8K80 F86 P87K80-E82 PolarHBondContact O-N 3.48Å; E82-F86 HydrophobicContact CB-CD2 3.91Å; E82-F86 HydrophobicContact CB-CE2 4.1Å; E82-F86 HydrophobicContact CG-CD2 4.03Å; E82-F86 HydrophobicContact CG-CE2 3.67Å; E82-F86 HydrophobicContact CG-CZ 4.25Å; E82-F86 WeakPolarHBondContact O-CB 3.35Å; E82-P87 WeakPolarHBondContact O-CD 3.43Å
83E85.1Confident87.6Confident98 Ų9873.5 Ų73.546%0.45835%0.354SS..Hα-helixtrans-83.7-20.8-179.4-64.8173.4-15800112.7Q18 K80 P87Q18-E83 PolarHBondContact NE2-OE2 3.37Å; K80-E83 HydrophobicContact CB-CB 4.44Å; K80-E83 PolarHBondContact O-N 3.06Å; E83-P87 WeakPolarHBondContact O-CG 3.42Å
84I86.7Confident87.7Confident0 Ų073.4 Ų73.40%034%0.344CS..Hα-helixtrans-110.8-60.9-173.1-67.3169.3000110.6Q18 L19 V22 L24 I68 K80 I88Q18-I84 HydrophobicContact CB-CD1 4.31Å; Q18-I84 HydrophobicContact CB-CG1 4.1Å; Q18-I84 HydrophobicContact CG-CD1 4.21Å; Q18-I84 HydrophobicContact CG-CG1 4.26Å; L19-I84 HydrophobicContact CD2-CD1 4.31Å; L19-I84 HydrophobicContact CD2-CG1 4.5Å; L19-I84 HydrophobicContact CD2-CG2 3.39Å; L19-I84 HydrophobicContact CG-CG2 3.93Å; V22-I84 HydrophobicContact CG2-CD1 4.42Å; L24-I84 HydrophobicContact CD1-CD1 4.36Å; I68-I84 HydrophobicContact CD1-CG2 4.25Å; I68-I84 HydrophobicContact CG2-CG2 4.21Å; K80-I84 HydrophobicContact CB-CD1 4.42Å; K80-I84 PolarHBondContact O-N 2.99Å; I84-I88 WeakPolarHBondContact O-CD1 3.27Å; I84-I88 WeakPolarHBondContact O-CG1 3.14Å
85E89.7Confident87.8Confident8 Ų865.6 Ų65.64%0.03731%0.308CS..Hα-helixtrans-77.8-36.1-173.2-70.795.5135.400113.6L65 I68 R72 R81 I88 I89L65-E85 HydrophobicContact CD1-CB 3.92Å; L65-E85 HydrophobicContact CD1-CG 3.71Å; I68-E85 HydrophobicContact CG2-CG 4.19Å; R72-E85 VanDerWaalsContact CD-OE1 3.24Å; R72-E85 WeakPolarHBondContact CD-OE1 3.38Å; R72-E85 IonicContact CZ-OE1 2.71Å; R72-E85 IonicContact CZ-OE2 3.47Å; R72-E85 IonicContact NE-OE1 3.69Å; R72-E85 PolarHBondContact NE-OE1 3.42Å; R72-E85 IonicContact NE-OE2 3.38Å; R72-E85 IonicContact NH2-OE1 3.3Å; R72-E85 IonicContact NH2-OE2 2.71Å; R72-E85 PolarHBondContact NH2-OE2 2.89Å; R81-E85 VanDerWaalsContact CA-OE2 3.28Å; R81-E85 WeakPolarHBondContact CA-OE2 3.38Å; R81-E85 HydrophobicContact CG-CB 4.12Å; R81-E85 HydrophobicContact CG-CG 4.32Å; R81-E85 WeakPolarHBondContact O-CB 3.24Å; R81-E85 PolarHBondContact O-N 3.21Å; E85-I88 PolarHBondContact O-N 3.09Å; E85-I89 HydrophobicContact CB-CD1 4.4Å; E85-I89 WeakPolarHBondContact O-CB 3.41Å; E85-I89 WeakPolarHBondContact O-CD1 3.47Å; E85-I89 WeakPolarHBondContact O-CG1 3.36Å; E85-I89 PolarHBondContact O-N 3.27Å
86F89.4Confident88.1Confident100 Ų10061.7 Ų61.744%0.43929%0.288SS..Hα-helixtrans-66.2-41-178-68.2-0.9000113.6R81 E82 I88 I89 H90R81-F86 PolarHBondContact O-N 2.9Å; E82-F86 HydrophobicContact CB-CD2 3.91Å; E82-F86 HydrophobicContact CB-CE2 4.1Å; E82-F86 HydrophobicContact CG-CD2 4.03Å; E82-F86 HydrophobicContact CG-CE2 3.67Å; E82-F86 HydrophobicContact CG-CZ 4.25Å; E82-F86 WeakPolarHBondContact O-CB 3.35Å; F86-I88 VanDerWaalsContact C-N 3.32Å; F86-I88 PolarHBondContact O-N 3.39Å; F86-I89 HydrophobicContact CD1-CD1 4.35Å; F86-I89 PolarHBondContact O-N 3.31Å; F86-H90 WeakPolarHBondContact O-CB 2.93Å; F86-H90 PolarHBondContact O-N 3.33Å
87P90.6Very high88.5Confident49 Ų4960.8 Ų60.832%0.31828%0.275SS..Hα-helixtrans-59-41.3173-2836.7000112.9E82 E83 H90 R91E82-P87 WeakPolarHBondContact O-CD 3.43Å; E83-P87 WeakPolarHBondContact O-CG 3.42Å; P87-H90 PolarHBondContact O-N 3.38Å; P87-R91 WeakPolarHBondContact O-CB 3.42Å; P87-R91 PolarHBondContact O-N 3.36Å
88I90.6Very high88.8Confident0 Ų061 Ų610%028%0.276CS..Hα-helixtrans-65.1-47.5176.6-58.2171.1000110.4E15 L65 I68 I84 E85 F86 H90 R91 I92E15-I88 HydrophobicContact CG-CG1 4.36Å; E15-I88 VanDerWaalsContact OE1-CD1 3.24Å; E15-I88 WeakPolarHBondContact OE1-CD1 3.45Å; E15-I88 WeakPolarHBondContact OE1-CG1 3.49Å; E15-I88 VanDerWaalsContact OE2-CG1 3.29Å; E15-I88 WeakPolarHBondContact OE2-CG1 3.39Å; L65-I88 HydrophobicContact CB-CG2 4.03Å; L65-I88 HydrophobicContact CD1-CB 4.19Å; L65-I88 HydrophobicContact CD1-CD1 4.21Å; L65-I88 HydrophobicContact CD1-CG2 4.13Å; L65-I88 HydrophobicContact CD2-CG2 4.43Å; L65-I88 HydrophobicContact CG-CG2 4.42Å; I68-I88 HydrophobicContact CD1-CD1 3.3Å; I84-I88 WeakPolarHBondContact O-CD1 3.27Å; I84-I88 WeakPolarHBondContact O-CG1 3.14Å; E85-I88 PolarHBondContact O-N 3.09Å; F86-I88 VanDerWaalsContact C-N 3.32Å; F86-I88 PolarHBondContact O-N 3.39Å; I88-H90 VanDerWaalsContact C-N 3.32Å; I88-H90 PolarHBondContact O-N 3.19Å; I88-R91 WeakPolarHBondContact O-CB 3.36Å; I88-R91 PolarHBondContact O-N 3.13Å; I88-R91 VanDerWaalsContact O-N 3.16Å; I88-I92 HydrophobicContact CG2-CD1 3.86Å; I88-I92 HydrophobicContact CG2-CG1 4.41Å; I88-I92 WeakPolarHBondContact O-CG1 3.2Å; I88-I92 PolarHBondContact O-N 2.82Å
89I91.4Very high89.3Confident10 Ų1055.1 Ų55.15%0.05125%0.249CC..Hα-helixtrans-60.6-42.3178-69.7165000111L65 E85 F86 R91 I92 N93 F116 W120 T122L65-I89 HydrophobicContact CD1-CG1 4.48Å; L65-I89 HydrophobicContact CD2-CD1 4.33Å; L65-I89 HydrophobicContact CD2-CG1 3.59Å; E85-I89 HydrophobicContact CB-CD1 4.4Å; E85-I89 WeakPolarHBondContact O-CB 3.41Å; E85-I89 WeakPolarHBondContact O-CD1 3.47Å; E85-I89 WeakPolarHBondContact O-CG1 3.36Å; E85-I89 PolarHBondContact O-N 3.27Å; F86-I89 HydrophobicContact CD1-CD1 4.35Å; F86-I89 PolarHBondContact O-N 3.31Å; I89-R91 VanDerWaalsContact C-N 3.34Å; I89-I92 PolarHBondContact O-N 3.01Å; I89-N93 WeakPolarHBondContact O-CB 3.28Å; I89-N93 PolarHBondContact O-N 3Å; I89-N93 PolarHBondContact O-ND2 3.19Å; I89-F116 HydrophobicContact CG1-CZ 4.41Å; I89-F116 HydrophobicContact CG2-CE1 4.24Å; I89-F116 HydrophobicContact CG2-CZ 4.27Å; I89-W120 HydrophobicContact CD1-CB 4.24Å; I89-W120 HydrophobicContact CD1-CD2 4.43Å; I89-W120 HydrophobicContact CD1-CE3 4.15Å; I89-W120 HydrophobicContact CD1-CG 4.48Å; I89-T122 HydrophobicContact CG2-CG2 3.61Å
90H90.1Very high89.7Confident119 Ų11948 Ų4855%0.55122%0.218SC*.Hα-helixtrans-63.5-40.9176.2-177.4-94.3000111.4F86 P87 I88 N93 S94F86-H90 WeakPolarHBondContact O-CB 2.93Å; F86-H90 PolarHBondContact O-N 3.33Å; P87-H90 PolarHBondContact O-N 3.38Å; I88-H90 VanDerWaalsContact C-N 3.32Å; I88-H90 PolarHBondContact O-N 3.19Å; H90-N93 WeakPolarHBondContact O-CB 3.1Å; H90-N93 PolarHBondContact O-N 2.67Å; H90-S94 WeakPolarHBondContact O-CB 3.35Å; H90-S94 PolarHBondContact O-N 3.21Å
91R91.7Very high90Very high36 Ų3651.8 Ų51.814%0.13623%0.234CC..Hα-helixtrans-63.7-48.1176.4-165.3-174.2-51132.216.3111.8E15 E61 P87 I88 I89 N93 S94 I95E15-R91 IonicContact OE2-CZ 3.05Å; E15-R91 IonicContact OE2-NH1 3.64Å; E15-R91 IonicContact OE2-NH2 3.39Å; E15-R91 PolarHBondContact OE2-NH2 3.05Å; E61-R91 WeakPolarHBondContact OE1-CD 3.19Å; E61-R91 IonicContact OE1-CZ 3.42Å; E61-R91 IonicContact OE1-NH1 2.68Å; E61-R91 PolarHBondContact OE1-NH1 3.46Å; E61-R91 IonicContact OE2-NH1 3.52Å; E61-R91 PolarHBondContact OE2-NH1 3.33Å; P87-R91 WeakPolarHBondContact O-CB 3.42Å; P87-R91 PolarHBondContact O-N 3.36Å; I88-R91 WeakPolarHBondContact O-CB 3.36Å; I88-R91 PolarHBondContact O-N 3.13Å; I88-R91 VanDerWaalsContact O-N 3.16Å; I89-R91 VanDerWaalsContact C-N 3.34Å; R91-N93 VanDerWaalsContact C-N 3.3Å; R91-N93 PolarHBondContact O-N 2.89Å; R91-S94 WeakPolarHBondContact O-CB 3.5Å; R91-S94 PolarHBondContact O-N 3.28Å; R91-S94 VanDerWaalsContact O-N 3.07Å; R91-I95 HydrophobicContact CG-CD1 4.1Å; R91-I95 VanDerWaalsContact O-CG1 3.31Å; R91-I95 WeakPolarHBondContact O-CG1 3.48Å; R91-I95 PolarHBondContact O-N 3.42Å
92I93.1Very high90.3Very high0 Ų051 Ų510%023%0.234CC..Hα-helixtrans-57.2-46.4176.5-66.6165.4000110I58 E61 I62 L65 I88 I89 S94 I95 F96 F116I58-I92 HydrophobicContact CG2-CG2 4.47Å; E61-I92 HydrophobicContact CB-CD1 3.91Å; E61-I92 HydrophobicContact CB-CG1 3.52Å; E61-I92 HydrophobicContact CG-CG1 4.49Å; I62-I92 HydrophobicContact CG1-CD1 4.03Å; I62-I92 HydrophobicContact CG1-CG2 4.34Å; L65-I92 HydrophobicContact CD2-CD1 4.13Å; I88-I92 HydrophobicContact CG2-CD1 3.86Å; I88-I92 HydrophobicContact CG2-CG1 4.41Å; I88-I92 WeakPolarHBondContact O-CG1 3.2Å; I88-I92 PolarHBondContact O-N 2.82Å; I89-I92 PolarHBondContact O-N 3.01Å; I92-S94 VanDerWaalsContact C-N 3.33Å; I92-S94 PolarHBondContact O-N 3.19Å; I92-I95 PolarHBondContact O-N 3.25Å; I92-F96 HydrophobicContact CG2-CD2 3.59Å; I92-F96 HydrophobicContact CG2-CE2 3.55Å; I92-F96 WeakPolarHBondContact O-CD2 3.48Å; I92-F96 PolarHBondContact O-N 2.96Å; I92-F116 HydrophobicContact CB-CE1 3.95Å; I92-F116 HydrophobicContact CB-CE2 4.18Å; I92-F116 HydrophobicContact CB-CZ 3.64Å; I92-F116 HydrophobicContact CD1-CE2 3.65Å; I92-F116 HydrophobicContact CD1-CZ 3.66Å; I92-F116 HydrophobicContact CG1-CE2 4.49Å; I92-F116 HydrophobicContact CG1-CZ 4.25Å; I92-F116 HydrophobicContact CG2-CD1 3.9Å; I92-F116 HydrophobicContact CG2-CD2 3.95Å; I92-F116 HydrophobicContact CG2-CE1 3.55Å; I92-F116 HydrophobicContact CG2-CE2 3.61Å; I92-F116 HydrophobicContact CG2-CG 4.09Å; I92-F116 HydrophobicContact CG2-CZ 3.42Å; I92-F116 VanDerWaalsContact CG2-CZ 3.42Å
93N91.7Very high90.7Very high6 Ų647 Ų473%0.03221%0.213CC..Hα-helixtrans-59-41.6174.8-85.8-53.2000113I89 H90 R91 F96 R97 H113 C117I89-N93 WeakPolarHBondContact O-CB 3.28Å; I89-N93 PolarHBondContact O-N 3Å; I89-N93 PolarHBondContact O-ND2 3.19Å; H90-N93 WeakPolarHBondContact O-CB 3.1Å; H90-N93 PolarHBondContact O-N 2.67Å; R91-N93 VanDerWaalsContact C-N 3.3Å; R91-N93 PolarHBondContact O-N 2.89Å; N93-F96 PolarHBondContact O-N 2.73Å; N93-R97 WeakPolarHBondContact O-CB 3.35Å; N93-R97 VanDerWaalsContact O-CG 3.31Å; N93-R97 WeakPolarHBondContact O-CG 3.08Å; N93-R97 PolarHBondContact O-N 3.03Å; N93-H113 PolarHBondContact OD1-NE2 3.29Å; N93-C117 PolarHBondContact OD1-SG 3.33Å
94S91.2Very high91Very high49 Ų4947.1 Ų47.134%0.34321%0.212SC..Hα-helixtrans-64.2-42.6176.7-176.90000112H90 R91 I92 R97 R98H90-S94 WeakPolarHBondContact O-CB 3.35Å; H90-S94 PolarHBondContact O-N 3.21Å; R91-S94 WeakPolarHBondContact O-CB 3.5Å; R91-S94 PolarHBondContact O-N 3.28Å; R91-S94 VanDerWaalsContact O-N 3.07Å; I92-S94 VanDerWaalsContact C-N 3.33Å; I92-S94 PolarHBondContact O-N 3.19Å; S94-R97 PolarHBondContact O-N 2.94Å; S94-R98 VanDerWaalsContact O-CG 3.31Å; S94-R98 WeakPolarHBondContact O-CG 3.38Å; S94-R98 PolarHBondContact O-N 2.71Å
95I91.8Very high91.1Very high2 Ų253.4 Ų53.41%0.0125%0.246CC..Hα-helixtrans-65.1-45.3176.9-60.5162.8000110.3L44 F54 Y57 I58 E61 R91 I92 R98 A99L44-I95 HydrophobicContact CD1-CG2 4.36Å; F54-I95 HydrophobicContact CD1-CG2 3.74Å; F54-I95 HydrophobicContact CE1-CG2 4.31Å; Y57-I95 HydrophobicContact CD1-CD1 3.86Å; Y57-I95 HydrophobicContact CD1-CG1 4.47Å; Y57-I95 HydrophobicContact CD1-CG2 4.45Å; Y57-I95 HydrophobicContact CD2-CD1 4.25Å; Y57-I95 HydrophobicContact CE1-CD1 3.58Å; Y57-I95 HydrophobicContact CE1-CG1 4.22Å; Y57-I95 HydrophobicContact CE2-CD1 4Å; Y57-I95 HydrophobicContact CG-CD1 4.16Å; I58-I95 HydrophobicContact CD1-CG2 4Å; I58-I95 HydrophobicContact CG1-CB 4.14Å; I58-I95 HydrophobicContact CG1-CG2 3.54Å; E61-I95 HydrophobicContact CG-CD1 4.43Å; R91-I95 HydrophobicContact CG-CD1 4.1Å; R91-I95 VanDerWaalsContact O-CG1 3.31Å; R91-I95 WeakPolarHBondContact O-CG1 3.48Å; R91-I95 PolarHBondContact O-N 3.42Å; I92-I95 PolarHBondContact O-N 3.25Å; I95-R98 PolarHBondContact O-N 2.73Å; I95-A99 WeakPolarHBondContact O-CB 3.36Å; I95-A99 PolarHBondContact O-N 2.81Å
96F93.6Very high91.2Very high7 Ų754.9 Ų54.93%0.03125%0.254CS..Hα-helixtrans-57.4-49.2173.4-89.5-66.4000112I58 I92 N93 R98 A99 T100 L109 H113 F116I58-F96 HydrophobicContact CD1-CD1 3.61Å; I58-F96 HydrophobicContact CD1-CD2 4.32Å; I58-F96 HydrophobicContact CD1-CE1 3.78Å; I58-F96 HydrophobicContact CD1-CE2 4.46Å; I58-F96 HydrophobicContact CD1-CG 3.91Å; I58-F96 HydrophobicContact CD1-CZ 4.22Å; I58-F96 HydrophobicContact CG1-CD2 4.47Å; I58-F96 HydrophobicContact CG2-CD2 4.2Å; I58-F96 HydrophobicContact CG2-CE1 3.96Å; I58-F96 HydrophobicContact CG2-CE2 3.45Å; I58-F96 VanDerWaalsContact CG2-CE2 3.45Å; I58-F96 HydrophobicContact CG2-CZ 3.32Å; I92-F96 HydrophobicContact CG2-CD2 3.59Å; I92-F96 HydrophobicContact CG2-CE2 3.55Å; I92-F96 WeakPolarHBondContact O-CD2 3.48Å; I92-F96 PolarHBondContact O-N 2.96Å; N93-F96 PolarHBondContact O-N 2.73Å; F96-R98 VanDerWaalsContact C-N 3.28Å; F96-R98 PolarHBondContact O-N 3.4Å; F96-A99 CarbonylContact O-C 3.39Å; F96-A99 WeakPolarHBondContact O-CA 3.14Å; F96-A99 WeakPolarHBondContact O-CB 3.46Å; F96-A99 PolarHBondContact O-N 2.85Å; F96-T100 WeakPolarHBondContact O-CG2 3.43Å; F96-T100 PolarHBondContact O-N 2.85Å; F96-T100 PolarHBondContact O-OG1 3.14Å; F96-T100 VanDerWaalsContact O-OG1 3.13Å; F96-L109 HydrophobicContact CD1-CD1 4.38Å; F96-L109 HydrophobicContact CE1-CD1 4.45Å; F96-H113 HydrophobicContact CB-CB 4.16Å; F96-H113 HydrophobicContact CD1-CB 3.62Å; F96-H113 AromaticContact CD1-CG 3.94Å; F96-H113 HydrophobicContact CD2-CB 4.47Å; F96-H113 AromaticContact CD2-CD2 3.66Å; F96-H113 HydrophobicContact CE1-CB 4.02Å; F96-H113 HydrophobicContact CG-CB 3.87Å; F96-H113 AromaticContact CG-CD2 3.59Å; F96-H113 AromaticContact CG-CG 3.65Å; F96-F116 HydrophobicContact CD2-CD1 4.41Å; F96-F116 HydrophobicContact CE2-CB 3.82Å; F96-F116 HydrophobicContact CE2-CD1 4.17Å; F96-F116 HydrophobicContact CE2-CD2 4.49Å; F96-F116 AromaticContact CE2-CG 3.89Å; F96-F116 HydrophobicContact CE2-CG 3.89Å; F96-F116 HydrophobicContact CZ-CB 4.24Å
97R91.3Very high91.4Very high105 Ų10551.3 Ų51.340%0.39624%0.24SC..Hα-helixtrans-58.4-38.8177.7-75.4-177.7-167.6163.95.1112.7N93 S94 T100 K101N93-R97 WeakPolarHBondContact O-CB 3.35Å; N93-R97 VanDerWaalsContact O-CG 3.31Å; N93-R97 WeakPolarHBondContact O-CG 3.08Å; N93-R97 PolarHBondContact O-N 3.03Å; S94-R97 PolarHBondContact O-N 2.94Å; R97-T100 WeakPolarHBondContact CA-OG1 3.16Å; R97-T100 PolarHBondContact O-OG1 2.96Å; R97-K101 VanDerWaalsContact O-CB 3.26Å; R97-K101 WeakPolarHBondContact O-CB 3.41Å; R97-K101 PolarHBondContact O-N 2.94Å
98R90.9Very high91.5Very high64 Ų6455.1 Ų55.124%0.24225%0.254CS..Hα-helixtrans-66-41.8175.3-73.8166.859.3-151-1.5111.1R8 F54 S94 I95 F96 K102R8-R98 VanDerWaalsContact NH1-CZ 3.27Å; F54-R98 HydrophobicContact CE1-CB 3.77Å; F54-R98 HydrophobicContact CZ-CB 4.33Å; S94-R98 VanDerWaalsContact O-CG 3.31Å; S94-R98 WeakPolarHBondContact O-CG 3.38Å; S94-R98 PolarHBondContact O-N 2.71Å; I95-R98 PolarHBondContact O-N 2.73Å; F96-R98 VanDerWaalsContact C-N 3.28Å; F96-R98 PolarHBondContact O-N 3.4Å; R98-K102 PolarHBondContact O-N 3.28Å
99A92.4Very high91.6Very high1 Ų155.5 Ų55.51%0.00826%0.256CS..Hα-helixtrans-64.9-51177.700000111.1F54 I95 F96 K101 K102 W103 L109F54-A99 HydrophobicContact CB-CB 4.04Å; F54-A99 HydrophobicContact CD1-CB 3.63Å; F54-A99 HydrophobicContact CE1-CB 4.23Å; F54-A99 HydrophobicContact CG-CB 3.94Å; I95-A99 WeakPolarHBondContact O-CB 3.36Å; I95-A99 PolarHBondContact O-N 2.81Å; F96-A99 CarbonylContact O-C 3.39Å; F96-A99 WeakPolarHBondContact O-CA 3.14Å; F96-A99 WeakPolarHBondContact O-CB 3.46Å; F96-A99 PolarHBondContact O-N 2.85Å; A99-K101 VanDerWaalsContact C-N 3.31Å; A99-K101 PolarHBondContact O-N 3.38Å; A99-K102 PolarHBondContact O-N 2.92Å; A99-W103 HydrophobicContact CB-CE3 4.36Å; A99-W103 HydrophobicContact CB-CZ3 4.39Å; A99-W103 VanDerWaalsContact O-CE3 3.3Å; A99-W103 PolarHBondContact O-N 2.73Å; A99-L109 HydrophobicContact CB-CD1 4.3Å; A99-L109 HydrophobicContact CB-CD2 3.8Å; A99-L109 HydrophobicContact CB-CG 4.49Å
100T92Very high91.7Very high4 Ų455.5 Ų55.53%0.02526%0.255CS..Hα-helixtrans-67-29.2-178.758.60000113F96 R97 K102 K104 L109 W110F96-T100 WeakPolarHBondContact O-CG2 3.43Å; F96-T100 PolarHBondContact O-N 2.85Å; F96-T100 PolarHBondContact O-OG1 3.14Å; F96-T100 VanDerWaalsContact O-OG1 3.13Å; R97-T100 WeakPolarHBondContact CA-OG1 3.16Å; R97-T100 PolarHBondContact O-OG1 2.96Å; T100-K102 VanDerWaalsContact C-N 3.28Å; T100-K102 PolarHBondContact O-N 3.13Å; T100-K104 WeakPolarHBondContact O-CA 3.33Å; T100-K104 WeakPolarHBondContact O-CG 3.37Å; T100-K104 PolarHBondContact O-N 3.43Å; T100-L109 HydrophobicContact CG2-CD2 4.07Å; T100-L109 HydrophobicContact CG2-CG 3.89Å; T100-W110 VanDerWaalsContact CB-CZ2 3.5Å; T100-W110 HydrophobicContact CG2-CD2 3.73Å; T100-W110 HydrophobicContact CG2-CE3 3.78Å; T100-W110 HydrophobicContact CG2-CG 4.22Å; T100-W110 HydrophobicContact CG2-CH2 4.36Å; T100-W110 HydrophobicContact CG2-CZ2 4.31Å; T100-W110 HydrophobicContact CG2-CZ3 4.11Å
101K90.6Very high91.9Very high162 Ų16251.9 Ų51.970%0.70424%0.239SC*.Hα-helixtrans-66-30170.8-173.1175.8-178.3-179.90112.6R97 A99 K104R97-K101 VanDerWaalsContact O-CB 3.26Å; R97-K101 WeakPolarHBondContact O-CB 3.41Å; R97-K101 PolarHBondContact O-N 2.94Å; A99-K101 VanDerWaalsContact C-N 3.31Å; A99-K101 PolarHBondContact O-N 3.38Å; K101-K104 WeakPolarHBondContact O-CE 3.5Å; K101-K104 WeakPolarHBondContact O-CG 3.39Å
102K89.6Confident91.9Very high108 Ų10853 Ų5347%0.4725%0.253SS..Hα-helixtrans-89.6-43.8-177.4-154.3-175.8-175.6-1620112.4V49 R98 A99 T100V49-K102 VanDerWaalsContact CB-NZ 3.26Å; V49-K102 PolarHBondContact O-NZ 3.35Å; R98-K102 PolarHBondContact O-N 3.28Å; A99-K102 PolarHBondContact O-N 2.92Å; T100-K102 VanDerWaalsContact C-N 3.28Å; T100-K102 PolarHBondContact O-N 3.13Å
103W92.3Very high92Very high58 Ų5853 Ų5322%0.2225%0.253CS..SBendtrans-10968.2176.2-61.9-81.9000110.3V49 N50 K51 F54 A99 D105 D106 L109V49-W103 WeakPolarHBondContact O-CZ2 3.34Å; N50-W103 WeakPolarHBondContact O-CH2 3.46Å; K51-W103 VanDerWaalsContact CA-CZ2 3.49Å; K51-W103 HydrophobicContact CB-CD2 4.03Å; K51-W103 HydrophobicContact CB-CE3 4.41Å; K51-W103 HydrophobicContact CB-CH2 4.24Å; K51-W103 HydrophobicContact CB-CZ2 3.82Å; K51-W103 HydrophobicContact CD-CD2 4.35Å; K51-W103 HydrophobicContact CD-CG 4.18Å; K51-W103 HydrophobicContact CG-CD2 3.99Å; K51-W103 HydrophobicContact CG-CE3 4.18Å; K51-W103 HydrophobicContact CG-CG 4.34Å; K51-W103 VanDerWaalsContact N-CZ2 3.34Å; F54-W103 HydrophobicContact CB-CZ3 4.36Å; F54-W103 AromaticContact CD2-CH2 3.44Å; F54-W103 HydrophobicContact CD2-CH2 3.44Å; F54-W103 VanDerWaalsContact CD2-CH2 3.44Å; F54-W103 AromaticContact CD2-CZ3 3.3Å; F54-W103 HydrophobicContact CD2-CZ3 3.3Å; F54-W103 AromaticContact CE2-CH2 3.64Å; F54-W103 HydrophobicContact CE2-CH2 3.64Å; F54-W103 AromaticContact CE2-CZ3 3.58Å; F54-W103 HydrophobicContact CE2-CZ3 3.58Å; F54-W103 HydrophobicContact CG-CH2 4.42Å; F54-W103 AromaticContact CG-CZ3 3.91Å; F54-W103 HydrophobicContact CG-CZ3 3.91Å; F54-W103 HydrophobicContact CZ-CZ3 4.42Å; A99-W103 HydrophobicContact CB-CE3 4.36Å; A99-W103 HydrophobicContact CB-CZ3 4.39Å; A99-W103 VanDerWaalsContact O-CE3 3.3Å; A99-W103 PolarHBondContact O-N 2.73Å; W103-D105 VanDerWaalsContact C-N 3.26Å; W103-D105 PolarHBondContact O-N 2.65Å; W103-D106 HydrophobicContact CB-CB 4.28Å; W103-D106 PolarHBondContact O-N 2.94Å; W103-L109 HydrophobicContact CB-CD2 4.26Å
104K90.6Very high92Very high101 Ų10153 Ų5344%0.43925%0.253SS..THydrogen-bonded Turntrans-62.3-33.9-173.9-66.7-178.8-174.5175.90112.9T100 K101 D106 W110 I136 H137T100-K104 WeakPolarHBondContact O-CA 3.33Å; T100-K104 WeakPolarHBondContact O-CG 3.37Å; T100-K104 PolarHBondContact O-N 3.43Å; K101-K104 WeakPolarHBondContact O-CE 3.5Å; K101-K104 WeakPolarHBondContact O-CG 3.39Å; K104-D106 VanDerWaalsContact C-N 3.32Å; K104-D106 PolarHBondContact O-N 3.37Å; K104-W110 PolarHBondContact O-NE1 2.88Å; K104-I136 HydrophobicContact CB-CD1 4.16Å; K104-I136 HydrophobicContact CB-CG2 4.13Å; K104-I136 HydrophobicContact CD-CD1 4.22Å; K104-I136 HydrophobicContact CG-CD1 4.14Å; K104-H137 PolarHBondContact O-NE2 3.33Å
105D89.3Confident92Very high133 Ų13353.3 Ų53.371%0.71126%0.259SS*.THydrogen-bonded Turntrans-77.6-17.3-174.8-53.5-44.5000113.5W103 V107 H137W103-D105 VanDerWaalsContact C-N 3.26Å; W103-D105 PolarHBondContact O-N 2.65Å; D105-V107 PolarHBondContact O-N 3.31Å; D105-H137 PolarHBondContact O-CE1 3.05Å
106D91.8Very high92Very high38 Ų3853.7 Ų53.720%0.20326%0.26CS..  trans-78.290.3-177.9-168.6-24000111K51 W103 K104 Q108 L109 W110K51-D106 WeakPolarHBondContact CD-OD2 3.47Å; K51-D106 IonicContact NZ-OD2 3.39Å; K51-D106 PolarHBondContact NZ-OD2 2.86Å; W103-D106 HydrophobicContact CB-CB 4.28Å; W103-D106 PolarHBondContact O-N 2.94Å; K104-D106 VanDerWaalsContact C-N 3.32Å; K104-D106 PolarHBondContact O-N 3.37Å; D106-Q108 PolarHBondContact O-N 2.99Å; D106-Q108 WeakPolarHBondContact OD1-CB 3.12Å; D106-Q108 PolarHBondContact OD1-N 3.32Å; D106-L109 HydrophobicContact CB-CB 4.1Å; D106-L109 WeakPolarHBondContact O-CB 3.3Å; D106-L109 PolarHBondContact O-N 3.32Å; D106-L109 PolarHBondContact OD1-N 3.12Å; D106-L109 VanDerWaalsContact OD1-N 3.16Å; D106-W110 PolarHBondContact O-N 2.99Å
107V92.1Very high91.9Very high26 Ų2653.4 Ų53.416%0.15826%0.259CS..Hα-helixtrans-58.7-34.2177.7179.70000111.9D105 L109 W110 L111 K140 L143D105-V107 PolarHBondContact O-N 3.31Å; V107-L109 VanDerWaalsContact C-N 3.28Å; V107-L109 PolarHBondContact O-N 3.32Å; V107-W110 WeakPolarHBondContact O-CB 3.36Å; V107-W110 PolarHBondContact O-N 3.07Å; V107-W110 VanDerWaalsContact O-N 3.15Å; V107-L111 HydrophobicContact CG1-CD1 4.02Å; V107-L111 HydrophobicContact CG1-CG 4.08Å; V107-L111 WeakPolarHBondContact O-CG 3.5Å; V107-L111 PolarHBondContact O-N 3.23Å; V107-K140 HydrophobicContact CG2-CD 4.2Å; V107-L143 HydrophobicContact CG1-CD1 4.34Å; V107-L143 HydrophobicContact CG1-CD2 4.02Å
108Q92.9Very high91.7Very high129 Ų12951.8 Ų51.860%0.60326%0.255SS*.Hα-helixtrans-65.7-35-178.8-66.1-60.5-28.400111.7D106 L111 S112D106-Q108 PolarHBondContact O-N 2.99Å; D106-Q108 WeakPolarHBondContact OD1-CB 3.12Å; D106-Q108 PolarHBondContact OD1-N 3.32Å; Q108-L111 PolarHBondContact O-N 3.38Å; Q108-S112 WeakPolarHBondContact O-CB 3.45Å; Q108-S112 PolarHBondContact O-N 2.86Å; Q108-S112 PolarHBondContact O-OG 3.35Å
109L92.9Very high91.6Very high8 Ų854.4 Ų54.44%0.04227%0.268CS..Hα-helixtrans-64-41.5173.7-175.963.4000111.9F96 A99 T100 W103 D106 V107 S112 H113F96-L109 HydrophobicContact CD1-CD1 4.38Å; F96-L109 HydrophobicContact CE1-CD1 4.45Å; A99-L109 HydrophobicContact CB-CD1 4.3Å; A99-L109 HydrophobicContact CB-CD2 3.8Å; A99-L109 HydrophobicContact CB-CG 4.49Å; T100-L109 HydrophobicContact CG2-CD2 4.07Å; T100-L109 HydrophobicContact CG2-CG 3.89Å; W103-L109 HydrophobicContact CB-CD2 4.26Å; D106-L109 HydrophobicContact CB-CB 4.1Å; D106-L109 WeakPolarHBondContact O-CB 3.3Å; D106-L109 PolarHBondContact O-N 3.32Å; D106-L109 PolarHBondContact OD1-N 3.12Å; D106-L109 VanDerWaalsContact OD1-N 3.16Å; V107-L109 VanDerWaalsContact C-N 3.28Å; V107-L109 PolarHBondContact O-N 3.32Å; L109-S112 PolarHBondContact O-N 2.63Å; L109-H113 PolarHBondContact O-N 3.22Å
110W94.1Very high91.3Very high10 Ų1055.2 Ų55.24%0.03827%0.271CS..Hα-helixtrans-64.8-44.9174.3-69102.2000112.2T100 K104 D106 V107 S112 H113 V114 V129 M133 I136 H137T100-W110 VanDerWaalsContact CB-CZ2 3.5Å; T100-W110 HydrophobicContact CG2-CD2 3.73Å; T100-W110 HydrophobicContact CG2-CE3 3.78Å; T100-W110 HydrophobicContact CG2-CG 4.22Å; T100-W110 HydrophobicContact CG2-CH2 4.36Å; T100-W110 HydrophobicContact CG2-CZ2 4.31Å; T100-W110 HydrophobicContact CG2-CZ3 4.11Å; K104-W110 PolarHBondContact O-NE1 2.88Å; D106-W110 PolarHBondContact O-N 2.99Å; V107-W110 WeakPolarHBondContact O-CB 3.36Å; V107-W110 PolarHBondContact O-N 3.07Å; V107-W110 VanDerWaalsContact O-N 3.15Å; W110-S112 VanDerWaalsContact C-N 3.3Å; W110-S112 PolarHBondContact O-N 3.39Å; W110-H113 WeakPolarHBondContact O-CB 3.41Å; W110-H113 PolarHBondContact O-N 3.44Å; W110-H113 VanDerWaalsContact O-N 3.11Å; W110-V114 WeakPolarHBondContact O-CG2 3.28Å; W110-V114 PolarHBondContact O-N 3.46Å; W110-V129 HydrophobicContact CE3-CG1 4Å; W110-V129 HydrophobicContact CZ3-CG1 4.35Å; W110-M133 HydrophobicContact CB-CG 4.01Å; W110-M133 HydrophobicContact CB-SD 3.54Å; W110-M133 VanDerWaalsContact CB-SD 3.54Å; W110-M133 HydrophobicContact CD2-CB 4.07Å; W110-M133 HydrophobicContact CD2-CG 4.18Å; W110-M133 HydrophobicContact CE3-CB 3.93Å; W110-M133 HydrophobicContact CE3-CG 4.49Å; W110-M133 HydrophobicContact CG-CB 4.39Å; W110-M133 HydrophobicContact CG-CG 3.99Å; W110-M133 HydrophobicContact CG-SD 4.19Å; W110-M133 HydrophobicContact CZ3-CB 4.44Å; W110-I136 HydrophobicContact CH2-CD1 4.17Å; W110-I136 HydrophobicContact CZ2-CD1 3.54Å; W110-H137 AromaticContact NE1-NE2 3.99Å
111L93.4Very high90.8Very high42 Ų4262.2 Ų62.222%0.2230%0.303CS..Hα-helixtrans-61.9-39.1177-67.8177.8000111.7V107 Q108 H113 V114 A115 L143 M146V107-L111 HydrophobicContact CG1-CD1 4.02Å; V107-L111 HydrophobicContact CG1-CG 4.08Å; V107-L111 WeakPolarHBondContact O-CG 3.5Å; V107-L111 PolarHBondContact O-N 3.23Å; Q108-L111 PolarHBondContact O-N 3.38Å; L111-H113 VanDerWaalsContact C-N 3.32Å; L111-H113 PolarHBondContact O-N 3.17Å; L111-V114 PolarHBondContact O-N 2.96Å; L111-A115 WeakPolarHBondContact O-CB 3.47Å; L111-A115 PolarHBondContact O-N 3.28Å; L111-L143 HydrophobicContact CD2-CD2 4.23Å; L111-M146 HydrophobicContact CD2-CE 3.75Å; L111-M146 HydrophobicContact CD2-SD 3.55Å; L111-M146 VanDerWaalsContact CD2-SD 3.55Å
112S93.4Very high90.3Very high59 Ų5955.7 Ų55.741%0.41328%0.277SS..Hα-helixtrans-62.6-39.2173.9-59.30000111.8Q108 L109 W110 A115 F116Q108-S112 WeakPolarHBondContact O-CB 3.45Å; Q108-S112 PolarHBondContact O-N 2.86Å; Q108-S112 PolarHBondContact O-OG 3.35Å; L109-S112 PolarHBondContact O-N 2.63Å; W110-S112 VanDerWaalsContact C-N 3.3Å; W110-S112 PolarHBondContact O-N 3.39Å; S112-A115 PolarHBondContact O-N 3.3Å; S112-F116 PolarHBondContact O-N 3.33Å
113H93.4Very high89.8Confident1 Ų155.7 Ų55.71%0.00528%0.277CS..Hα-helixtrans-65-45.5174.7-169.6-171.6000111.4N93 F96 L109 W110 L111 A115 F116 C117 V129N93-H113 PolarHBondContact OD1-NE2 3.29Å; F96-H113 HydrophobicContact CB-CB 4.16Å; F96-H113 HydrophobicContact CD1-CB 3.62Å; F96-H113 AromaticContact CD1-CG 3.94Å; F96-H113 HydrophobicContact CD2-CB 4.47Å; F96-H113 AromaticContact CD2-CD2 3.66Å; F96-H113 HydrophobicContact CE1-CB 4.02Å; F96-H113 HydrophobicContact CG-CB 3.87Å; F96-H113 AromaticContact CG-CD2 3.59Å; F96-H113 AromaticContact CG-CG 3.65Å; L109-H113 PolarHBondContact O-N 3.22Å; W110-H113 WeakPolarHBondContact O-CB 3.41Å; W110-H113 PolarHBondContact O-N 3.44Å; W110-H113 VanDerWaalsContact O-N 3.11Å; L111-H113 VanDerWaalsContact C-N 3.32Å; L111-H113 PolarHBondContact O-N 3.17Å; H113-A115 PolarHBondContact O-N 2.74Å; H113-F116 PolarHBondContact O-N 2.9Å; H113-C117 VanDerWaalsContact CD2-SG 3.55Å; H113-C117 PolarHBondContact O-N 3.22Å; H113-C117 PolarHBondContact O-SG 3.09Å; H113-V129 HydrophobicContact CB-CG1 4.42Å; H113-V129 WeakPolarHBondContact CE1-CG2 3.48Å; H113-V129 WeakPolarHBondContact ND1-CG2 3.25Å
114V91.9Very high89.3Confident6 Ų656.5 Ų56.54%0.03629%0.292CS..Hα-helixtrans-59.9-46.2175.51720000111.2W110 L111 F116 C117 K118 V129 F130W110-V114 WeakPolarHBondContact O-CG2 3.28Å; W110-V114 PolarHBondContact O-N 3.46Å; L111-V114 PolarHBondContact O-N 2.96Å; V114-F116 VanDerWaalsContact C-N 3.32Å; V114-F116 PolarHBondContact O-N 3.42Å; V114-C117 PolarHBondContact O-N 3.27Å; V114-C117 VanDerWaalsContact O-N 3.13Å; V114-K118 PolarHBondContact O-N 3.35Å; V114-V129 HydrophobicContact CG2-CG1 3.68Å; V114-F130 HydrophobicContact CB-CZ 4.44Å; V114-F130 HydrophobicContact CG1-CE1 4.25Å; V114-F130 HydrophobicContact CG1-CE2 3.94Å; V114-F130 HydrophobicContact CG1-CZ 3.51Å; V114-F130 HydrophobicContact CG2-CD1 4.5Å; V114-F130 HydrophobicContact CG2-CE1 4.07Å; V114-F130 HydrophobicContact CG2-CE2 4.42Å; V114-F130 HydrophobicContact CG2-CZ 4.03Å
115A92.1Very high88.9Confident56 Ų5653.3 Ų53.346%0.46328%0.278SS..Hα-helixtrans-60.5-41.7179.100000112L111 S112 H113 K118 K119L111-A115 WeakPolarHBondContact O-CB 3.47Å; L111-A115 PolarHBondContact O-N 3.28Å; S112-A115 PolarHBondContact O-N 3.3Å; H113-A115 PolarHBondContact O-N 2.74Å; A115-K118 PolarHBondContact O-N 3.18Å; A115-K119 WeakPolarHBondContact O-CB 3.26Å; A115-K119 PolarHBondContact O-N 3.14Å
116F92.4Very high88.8Confident10 Ų1047.1 Ų47.14%0.04425%0.245CC..Hα-helixtrans-60.2-48.9172.3173.7-97.1000111.4I62 L65 I89 I92 F96 S112 H113 V114 K118 K119 W120I62-F116 HydrophobicContact CD1-CD2 3.86Å; I62-F116 HydrophobicContact CD1-CE2 4.42Å; I62-F116 HydrophobicContact CG1-CD2 3.86Å; I62-F116 HydrophobicContact CG1-CE2 3.92Å; L65-F116 HydrophobicContact CD2-CE2 4.42Å; I89-F116 HydrophobicContact CG1-CZ 4.41Å; I89-F116 HydrophobicContact CG2-CE1 4.24Å; I89-F116 HydrophobicContact CG2-CZ 4.27Å; I92-F116 HydrophobicContact CB-CE1 3.95Å; I92-F116 HydrophobicContact CB-CE2 4.18Å; I92-F116 HydrophobicContact CB-CZ 3.64Å; I92-F116 HydrophobicContact CD1-CE2 3.65Å; I92-F116 HydrophobicContact CD1-CZ 3.66Å; I92-F116 HydrophobicContact CG1-CE2 4.49Å; I92-F116 HydrophobicContact CG1-CZ 4.25Å; I92-F116 HydrophobicContact CG2-CD1 3.9Å; I92-F116 HydrophobicContact CG2-CD2 3.95Å; I92-F116 HydrophobicContact CG2-CE1 3.55Å; I92-F116 HydrophobicContact CG2-CE2 3.61Å; I92-F116 HydrophobicContact CG2-CG 4.09Å; I92-F116 HydrophobicContact CG2-CZ 3.42Å; I92-F116 VanDerWaalsContact CG2-CZ 3.42Å; F96-F116 HydrophobicContact CD2-CD1 4.41Å; F96-F116 HydrophobicContact CE2-CB 3.82Å; F96-F116 HydrophobicContact CE2-CD1 4.17Å; F96-F116 HydrophobicContact CE2-CD2 4.49Å; F96-F116 AromaticContact CE2-CG 3.89Å; F96-F116 HydrophobicContact CE2-CG 3.89Å; F96-F116 HydrophobicContact CZ-CB 4.24Å; S112-F116 PolarHBondContact O-N 3.33Å; H113-F116 PolarHBondContact O-N 2.9Å; V114-F116 VanDerWaalsContact C-N 3.32Å; V114-F116 PolarHBondContact O-N 3.42Å; F116-K118 VanDerWaalsContact C-N 3.3Å; F116-K118 PolarHBondContact O-N 2.57Å; F116-K119 PolarHBondContact O-N 3.09Å; F116-W120 AromaticContact CD2-CD1 3.5Å; F116-W120 AromaticContact CD2-NE1 3.75Å; F116-W120 AromaticContact CE2-CD1 3.2Å; F116-W120 HydrophobicContact CE2-CG 4.2Å; F116-W120 AromaticContact CE2-NE1 3.37Å; F116-W120 AromaticContact CZ-CD1 3.7Å; F116-W120 HydrophobicContact CZ-CG 4.34Å; F116-W120 PolarHBondContact O-N 3.02Å
117C89.8Confident88.6Confident0 Ų046.5 Ų46.50%024%0.244CC..Hα-helixtrans-61.9-37.8-178.4-68.20000112.6N93 H113 V114 E121 T122 I126N93-C117 PolarHBondContact OD1-SG 3.33Å; H113-C117 VanDerWaalsContact CD2-SG 3.55Å; H113-C117 PolarHBondContact O-N 3.22Å; H113-C117 PolarHBondContact O-SG 3.09Å; V114-C117 PolarHBondContact O-N 3.27Å; V114-C117 VanDerWaalsContact O-N 3.13Å; C117-E121 PolarHBondContact O-N 3.35Å; C117-T122 VanDerWaalsContact CA-OG1 3.23Å; C117-T122 WeakPolarHBondContact CA-OG1 3.25Å; C117-T122 WeakPolarHBondContact CB-OG1 3.45Å; C117-T122 PolarHBondContact O-N 3.33Å; C117-T122 PolarHBondContact O-OG1 3.5Å; C117-T122 VanDerWaalsContact O-OG1 3.11Å; C117-I126 HydrophobicContact CB-CD1 4.21Å; C117-I126 HydrophobicContact CB-CG1 3.38Å
118K88.6Confident88.4Confident71 Ų7151.1 Ų51.131%0.30926%0.262SS..Hα-helixtrans-64.2-49173.2-77-166.8170.3-153.10112.1V114 A115 F116 W120 E121 I126 S150 D154V114-K118 PolarHBondContact O-N 3.35Å; A115-K118 PolarHBondContact O-N 3.18Å; F116-K118 VanDerWaalsContact C-N 3.3Å; F116-K118 PolarHBondContact O-N 2.57Å; K118-W120 PolarHBondContact O-N 2.95Å; K118-W120 VanDerWaalsContact O-N 3.16Å; K118-E121 PolarHBondContact O-N 3.39Å; K118-E121 VanDerWaalsContact O-N 3.14Å; K118-I126 HydrophobicContact CG-CD1 3.89Å; K118-S150 WeakPolarHBondContact CE-OG 3.36Å; K118-D154 WeakPolarHBondContact CE-OD2 3.02Å; K118-D154 IonicContact NZ-OD2 3.68Å
119K89.2Confident88.3Confident120 Ų12045.2 Ų45.252%0.52223%0.234SC..Hα-helixtrans-58.3-31-178.8-176.6173.8-176.5174.30113.6E66 A115 F116E66-K119 IonicContact OE1-NZ 2.68Å; E66-K119 PolarHBondContact OE1-NZ 2.61Å; A115-K119 WeakPolarHBondContact O-CB 3.26Å; A115-K119 PolarHBondContact O-N 3.14Å; F116-K119 PolarHBondContact O-N 3.09Å
120W85.4Confident88.2Confident18 Ų1845 Ų457%0.06823%0.233CC..THydrogen-bonded Turntrans-109.416.1-178.2-62.7100.6000113.5L65 E66 K69 I89 F116 K118 T122L65-W120 HydrophobicContact CB-CH2 4.49Å; L65-W120 HydrophobicContact CB-CZ2 4.29Å; L65-W120 HydrophobicContact CD1-CH2 4.33Å; L65-W120 HydrophobicContact CD1-CZ3 4.44Å; L65-W120 HydrophobicContact CD2-CD2 3.74Å; L65-W120 HydrophobicContact CD2-CE3 4.03Å; L65-W120 HydrophobicContact CD2-CG 4.41Å; L65-W120 HydrophobicContact CD2-CH2 3.76Å; L65-W120 HydrophobicContact CD2-CZ2 3.43Å; L65-W120 VanDerWaalsContact CD2-CZ2 3.43Å; L65-W120 HydrophobicContact CD2-CZ3 4.04Å; L65-W120 HydrophobicContact CG-CE3 4.49Å; L65-W120 HydrophobicContact CG-CH2 3.5Å; L65-W120 VanDerWaalsContact CG-CH2 3.5Å; L65-W120 HydrophobicContact CG-CZ2 3.54Å; L65-W120 HydrophobicContact CG-CZ3 3.99Å; E66-W120 HydrophobicContact CG-CZ2 4.27Å; K69-W120 HydrophobicContact CB-CH2 4.38Å; K69-W120 HydrophobicContact CD-CH2 3.91Å; K69-W120 HydrophobicContact CD-CZ3 4.11Å; I89-W120 HydrophobicContact CD1-CB 4.24Å; I89-W120 HydrophobicContact CD1-CD2 4.43Å; I89-W120 HydrophobicContact CD1-CE3 4.15Å; I89-W120 HydrophobicContact CD1-CG 4.48Å; F116-W120 AromaticContact CD2-CD1 3.5Å; F116-W120 AromaticContact CD2-NE1 3.75Å; F116-W120 AromaticContact CE2-CD1 3.2Å; F116-W120 HydrophobicContact CE2-CG 4.2Å; F116-W120 AromaticContact CE2-NE1 3.37Å; F116-W120 AromaticContact CZ-CD1 3.7Å; F116-W120 HydrophobicContact CZ-CG 4.34Å; F116-W120 PolarHBondContact O-N 3.02Å; K118-W120 PolarHBondContact O-N 2.95Å; K118-W120 VanDerWaalsContact O-N 3.16Å; W120-T122 PolarHBondContact O-N 3.23Å; W120-T122 VanDerWaalsContact O-N 3.14Å
121E81.3Confident88.1Confident151 Ų15147.2 Ų47.271%0.70625%0.253SS*.THydrogen-bonded Turntrans53.832.8173.5-62.8177.2178.700114.7C117 K118 K123C117-E121 PolarHBondContact O-N 3.35Å; K118-E121 PolarHBondContact O-N 3.39Å; K118-E121 VanDerWaalsContact O-N 3.14Å; E121-K123 PolarHBondContact O-N 3.04Å
122T80.6Confident87.9Confident25 Ų2548 Ų4815%0.15326%0.262CS..  trans-82.863.5178.753.30000111.8I89 C117 W120 S124 Q125 I126I89-T122 HydrophobicContact CG2-CG2 3.61Å; C117-T122 VanDerWaalsContact CA-OG1 3.23Å; C117-T122 WeakPolarHBondContact CA-OG1 3.25Å; C117-T122 WeakPolarHBondContact CB-OG1 3.45Å; C117-T122 PolarHBondContact O-N 3.33Å; C117-T122 PolarHBondContact O-OG1 3.5Å; C117-T122 VanDerWaalsContact O-OG1 3.11Å; W120-T122 PolarHBondContact O-N 3.23Å; W120-T122 VanDerWaalsContact O-N 3.14Å; T122-S124 VanDerWaalsContact C-N 3.31Å; T122-S124 PolarHBondContact O-N 3.01Å; T122-S124 VanDerWaalsContact O-N 3.15Å; T122-Q125 WeakPolarHBondContact O-CB 3.47Å; T122-Q125 PolarHBondContact O-N 3.46Å; T122-I126 PolarHBondContact O-N 3.25Å
123K78.9Confident87.9Confident108 Ų10845.1 Ų45.147%0.4724%0.242SC..Hα-helixtrans-50.7-43.1-171-61.3-176.3179.5-160.50114.2E121 Q125 I126 D154 R155E121-K123 PolarHBondContact O-N 3.04Å; K123-Q125 VanDerWaalsContact C-N 3.26Å; K123-Q125 PolarHBondContact O-N 2.96Å; K123-I126 PolarHBondContact O-N 3.5Å; K123-D154 VanDerWaalsContact CD-O 3.31Å; K123-D154 WeakPolarHBondContact CD-O 3.06Å; K123-D154 WeakPolarHBondContact CE-O 3.29Å; K123-D154 PolarHBondContact NZ-O 3.27Å; K123-R155 HydrophobicContact CB-CG 4.29Å
124S80.9Confident87.9Confident75 Ų7545.1 Ų45.152%0.52424%0.242SC..Hα-helixtrans-68.3-23.4-18064.40000114T122 K128T122-S124 VanDerWaalsContact C-N 3.31Å; T122-S124 PolarHBondContact O-N 3.01Å; T122-S124 VanDerWaalsContact O-N 3.15Å; S124-K128 WeakPolarHBondContact O-CG 3.49Å
125Q83.3Confident87.8Confident33 Ų3348 Ų4815%0.15427%0.267CS..Hα-helixtrans-84.3-36.5178-60.1-54.9-27.500111.6T122 K123 S127 K128 V129T122-Q125 WeakPolarHBondContact O-CB 3.47Å; T122-Q125 PolarHBondContact O-N 3.46Å; K123-Q125 VanDerWaalsContact C-N 3.26Å; K123-Q125 PolarHBondContact O-N 2.96Å; Q125-S127 PolarHBondContact O-N 3.17Å; Q125-K128 PolarHBondContact O-N 3.38Å; Q125-K128 VanDerWaalsContact O-N 3.14Å; Q125-V129 VanDerWaalsContact O-CG2 3.28Å; Q125-V129 WeakPolarHBondContact O-CG2 3.23Å; Q125-V129 PolarHBondContact O-N 3.16Å
126I87.1Confident87.8Confident4 Ų448.2 Ų48.22%0.02126%0.26CS..Hα-helixtrans-52.8-52.4177.4-65174.2000110.7C117 K118 T122 K123 K128 V129 F130 S150C117-I126 HydrophobicContact CB-CD1 4.21Å; C117-I126 HydrophobicContact CB-CG1 3.38Å; K118-I126 HydrophobicContact CG-CD1 3.89Å; T122-I126 PolarHBondContact O-N 3.25Å; K123-I126 PolarHBondContact O-N 3.5Å; I126-K128 VanDerWaalsContact C-N 3.32Å; I126-K128 PolarHBondContact O-N 3.23Å; I126-V129 PolarHBondContact O-N 3.39Å; I126-V129 VanDerWaalsContact O-N 3.16Å; I126-F130 HydrophobicContact CG2-CD2 3.49Å; I126-F130 VanDerWaalsContact CG2-CD2 3.49Å; I126-F130 HydrophobicContact CG2-CE2 3.32Å; I126-F130 VanDerWaalsContact O-CD2 3.29Å; I126-F130 WeakPolarHBondContact O-CD2 3.46Å; I126-F130 PolarHBondContact O-N 3.03Å; I126-S150 WeakPolarHBondContact CG2-OG 3.13Å
127S86.3Confident87.7Confident24 Ų2448.2 Ų48.217%0.16826%0.26CS..Hα-helixtrans-60.1-39.3179.5-47.80000112.8Q125 F130 A131 E151 R155Q125-S127 PolarHBondContact O-N 3.17Å; S127-F130 PolarHBondContact O-N 2.82Å; S127-A131 VanDerWaalsContact O-CB 3.32Å; S127-A131 WeakPolarHBondContact O-CB 3.32Å; S127-A131 PolarHBondContact O-N 2.73Å; S127-E151 WeakPolarHBondContact CB-OE1 3.33Å; S127-E151 PolarHBondContact OG-OE1 3.34Å; S127-R155 WeakPolarHBondContact OG-CD 3.48Å
128K88.8Confident87.8Confident124 Ų12449.8 Ų49.854%0.53927%0.27SS..Hα-helixtrans-67.6-39.1177.7-67.8179.9-176.4-175.70111.9S124 Q125 I126 S132S124-K128 WeakPolarHBondContact O-CG 3.49Å; Q125-K128 PolarHBondContact O-N 3.38Å; Q125-K128 VanDerWaalsContact O-N 3.14Å; I126-K128 VanDerWaalsContact C-N 3.32Å; I126-K128 PolarHBondContact O-N 3.23Å; K128-S132 WeakPolarHBondContact O-CB 3.26Å; K128-S132 PolarHBondContact O-N 2.84Å; K128-S132 PolarHBondContact O-OG 3.16Å
129V90.6Very high87.9Confident5 Ų551.1 Ų51.13%0.0328%0.281CS..Hα-helixtrans-66-47.1176.3175.40000109.9W110 H113 V114 Q125 I126 S132 M133W110-V129 HydrophobicContact CE3-CG1 4Å; W110-V129 HydrophobicContact CZ3-CG1 4.35Å; H113-V129 HydrophobicContact CB-CG1 4.42Å; H113-V129 WeakPolarHBondContact CE1-CG2 3.48Å; H113-V129 WeakPolarHBondContact ND1-CG2 3.25Å; V114-V129 HydrophobicContact CG2-CG1 3.68Å; Q125-V129 VanDerWaalsContact O-CG2 3.28Å; Q125-V129 WeakPolarHBondContact O-CG2 3.23Å; Q125-V129 PolarHBondContact O-N 3.16Å; I126-V129 PolarHBondContact O-N 3.39Å; I126-V129 VanDerWaalsContact O-N 3.16Å; V129-S132 PolarHBondContact O-N 3.13Å; V129-M133 VanDerWaalsContact O-CB 3.3Å; V129-M133 WeakPolarHBondContact O-CB 3.48Å; V129-M133 PolarHBondContact O-N 2.95Å
130F91.3Very high88Confident4 Ų448.6 Ų48.62%0.01827%0.27CS..Hα-helixtrans-60.3-46.3174.8-80.2-61.5000112.5V114 I126 S127 S132 M133 L134 M146 A147 S150V114-F130 HydrophobicContact CB-CZ 4.44Å; V114-F130 HydrophobicContact CG1-CE1 4.25Å; V114-F130 HydrophobicContact CG1-CE2 3.94Å; V114-F130 HydrophobicContact CG1-CZ 3.51Å; V114-F130 HydrophobicContact CG2-CD1 4.5Å; V114-F130 HydrophobicContact CG2-CE1 4.07Å; V114-F130 HydrophobicContact CG2-CE2 4.42Å; V114-F130 HydrophobicContact CG2-CZ 4.03Å; I126-F130 HydrophobicContact CG2-CD2 3.49Å; I126-F130 VanDerWaalsContact CG2-CD2 3.49Å; I126-F130 HydrophobicContact CG2-CE2 3.32Å; I126-F130 VanDerWaalsContact O-CD2 3.29Å; I126-F130 WeakPolarHBondContact O-CD2 3.46Å; I126-F130 PolarHBondContact O-N 3.03Å; S127-F130 PolarHBondContact O-N 2.82Å; F130-S132 VanDerWaalsContact C-N 3.29Å; F130-S132 PolarHBondContact O-N 3Å; F130-M133 HydrophobicContact CD1-CE 3.4Å; F130-M133 VanDerWaalsContact CD1-CE 3.4Å; F130-M133 HydrophobicContact CE1-CE 3.66Å; F130-M133 PolarHBondContact O-N 3.26Å; F130-L134 WeakPolarHBondContact O-CB 3.4Å; F130-L134 VanDerWaalsContact O-CG 3.23Å; F130-L134 WeakPolarHBondContact O-CG 3.29Å; F130-L134 PolarHBondContact O-N 3.39Å; F130-M146 HydrophobicContact CE1-CB 4.41Å; F130-M146 HydrophobicContact CE1-CG 3.94Å; F130-M146 HydrophobicContact CE1-SD 4.14Å; F130-M146 HydrophobicContact CZ-CG 3.97Å; F130-M146 HydrophobicContact CZ-SD 4.35Å; F130-A147 HydrophobicContact CB-CB 3.95Å; F130-A147 HydrophobicContact CD1-CB 3.44Å; F130-A147 VanDerWaalsContact CD1-CB 3.44Å; F130-A147 HydrophobicContact CD2-CB 4.32Å; F130-A147 HydrophobicContact CE1-CB 3.98Å; F130-A147 HydrophobicContact CG-CB 3.67Å; F130-S150 VanDerWaalsContact CE2-CB 3.46Å; F130-S150 WeakPolarHBondContact CE2-OG 3.38Å
131A90.7Very high88.4Confident55 Ų5549.1 Ų49.146%0.45528%0.275SS..Hα-helixtrans-58.7-41.2177.600000112.2S127 A135S127-A131 VanDerWaalsContact O-CB 3.32Å; S127-A131 WeakPolarHBondContact O-CB 3.32Å; S127-A131 PolarHBondContact O-N 2.73Å; A131-A135 WeakPolarHBondContact O-CB 3.38Å; A131-A135 PolarHBondContact O-N 2.88Å; A131-A135 VanDerWaalsContact O-N 3.17Å
132S90.4Very high89Confident58 Ų5845.2 Ų45.241%0.40627%0.268SS..Hα-helixtrans-69.8-41.9177.2-55.30000112.1K128 V129 F130 A135 I136K128-S132 WeakPolarHBondContact O-CB 3.26Å; K128-S132 PolarHBondContact O-N 2.84Å; K128-S132 PolarHBondContact O-OG 3.16Å; V129-S132 PolarHBondContact O-N 3.13Å; F130-S132 VanDerWaalsContact C-N 3.29Å; F130-S132 PolarHBondContact O-N 3Å; S132-A135 PolarHBondContact O-N 2.87Å; S132-I136 PolarHBondContact O-N 3.03Å
133M92.7Very high89.6Confident0 Ų044.4 Ų44.40%026%0.263CS..Hα-helixtrans-64.8-46.1179.1-177.4178.462.600111.2W110 V129 F130 A135 I136 H137 L143W110-M133 HydrophobicContact CB-CG 4.01Å; W110-M133 HydrophobicContact CB-SD 3.54Å; W110-M133 VanDerWaalsContact CB-SD 3.54Å; W110-M133 HydrophobicContact CD2-CB 4.07Å; W110-M133 HydrophobicContact CD2-CG 4.18Å; W110-M133 HydrophobicContact CE3-CB 3.93Å; W110-M133 HydrophobicContact CE3-CG 4.49Å; W110-M133 HydrophobicContact CG-CB 4.39Å; W110-M133 HydrophobicContact CG-CG 3.99Å; W110-M133 HydrophobicContact CG-SD 4.19Å; W110-M133 HydrophobicContact CZ3-CB 4.44Å; V129-M133 VanDerWaalsContact O-CB 3.3Å; V129-M133 WeakPolarHBondContact O-CB 3.48Å; V129-M133 PolarHBondContact O-N 2.95Å; F130-M133 HydrophobicContact CD1-CE 3.4Å; F130-M133 VanDerWaalsContact CD1-CE 3.4Å; F130-M133 HydrophobicContact CE1-CE 3.66Å; F130-M133 PolarHBondContact O-N 3.26Å; M133-A135 VanDerWaalsContact C-N 3.3Å; M133-A135 PolarHBondContact O-N 2.82Å; M133-I136 PolarHBondContact O-N 3.17Å; M133-I136 VanDerWaalsContact O-N 3.16Å; M133-H137 PolarHBondContact O-N 3Å; M133-L143 HydrophobicContact CE-CB 4.16Å; M133-L143 HydrophobicContact CE-CD1 4.42Å; M133-L143 HydrophobicContact CE-CD2 4Å; M133-L143 HydrophobicContact CE-CG 4.42Å; M133-L143 HydrophobicContact CG-CD1 4.21Å; M133-L143 HydrophobicContact SD-CD1 4.15Å; M133-L143 HydrophobicContact SD-CD2 4.06Å
134L92.9Very high90.4Very high1 Ų139.3 Ų39.31%0.00524%0.241CC..Hα-helixtrans-70.2-25.5-180-66.9173.2000113.1F130 I136 L143 W144 A147 L164F130-L134 WeakPolarHBondContact O-CB 3.4Å; F130-L134 VanDerWaalsContact O-CG 3.23Å; F130-L134 WeakPolarHBondContact O-CG 3.29Å; F130-L134 PolarHBondContact O-N 3.39Å; L134-I136 VanDerWaalsContact C-N 3.25Å; L134-I136 PolarHBondContact O-N 3.07Å; L134-L143 HydrophobicContact CD2-CB 3.83Å; L134-W144 HydrophobicContact CB-CH2 4.03Å; L134-W144 HydrophobicContact CB-CZ2 4.14Å; L134-W144 HydrophobicContact CB-CZ3 4.38Å; L134-W144 HydrophobicContact CD1-CD2 4.21Å; L134-W144 HydrophobicContact CD1-CE3 3.74Å; L134-W144 HydrophobicContact CD1-CH2 4.27Å; L134-W144 HydrophobicContact CD1-CZ3 3.77Å; L134-W144 HydrophobicContact CD2-CD2 3.71Å; L134-W144 HydrophobicContact CD2-CE3 4.13Å; L134-W144 HydrophobicContact CD2-CG 3.9Å; L134-W144 HydrophobicContact CD2-CZ2 4.3Å; L134-W144 HydrophobicContact CG-CD2 4.46Å; L134-W144 HydrophobicContact CG-CE3 4.42Å; L134-W144 HydrophobicContact CG-CZ3 4.47Å; L134-A147 HydrophobicContact CD1-CB 3.76Å; L134-L164 HydrophobicContact CD1-CD2 3.94Å
135A91.4Very high91Very high67 Ų6736.6 Ų36.655%0.55422%0.221SC*.Hα-helixtrans-68.3-27172.300000112.6A131 S132 M133A131-A135 WeakPolarHBondContact O-CB 3.38Å; A131-A135 PolarHBondContact O-N 2.88Å; A131-A135 VanDerWaalsContact O-N 3.17Å; S132-A135 PolarHBondContact O-N 2.87Å; M133-A135 VanDerWaalsContact C-N 3.3Å; M133-A135 PolarHBondContact O-N 2.82Å
136I91.7Very high91.4Very high60 Ų6038.5 Ų38.531%0.30823%0.23SC..Hα-helixtrans-95.6-38-179.6-63.6163.5000111.2K104 W110 S132 M133 L134 P138K104-I136 HydrophobicContact CB-CD1 4.16Å; K104-I136 HydrophobicContact CB-CG2 4.13Å; K104-I136 HydrophobicContact CD-CD1 4.22Å; K104-I136 HydrophobicContact CG-CD1 4.14Å; W110-I136 HydrophobicContact CH2-CD1 4.17Å; W110-I136 HydrophobicContact CZ2-CD1 3.54Å; S132-I136 PolarHBondContact O-N 3.03Å; M133-I136 PolarHBondContact O-N 3.17Å; M133-I136 VanDerWaalsContact O-N 3.16Å; L134-I136 VanDerWaalsContact C-N 3.25Å; L134-I136 PolarHBondContact O-N 3.07Å; I136-P138 WeakPolarHBondContact O-CD 3.4Å
137H90.8Very high91.7Very high9 Ų938.3 Ų38.34%0.04223%0.229CC..  trans-116.157.6-176.9-59.6-87.2000112.3K104 D105 W110 M133 D139 K140 L143K104-H137 PolarHBondContact O-NE2 3.33Å; D105-H137 PolarHBondContact O-CE1 3.05Å; W110-H137 AromaticContact NE1-NE2 3.99Å; M133-H137 PolarHBondContact O-N 3Å; H137-D139 WeakPolarHBondContact CA-OD1 3.14Å; H137-D139 PolarHBondContact O-N 3.45Å; H137-K140 HydrophobicContact CB-CD 4.31Å; H137-K140 PolarHBondContact ND1-NZ 3.3Å; H137-L143 HydrophobicContact CB-CD1 3.63Å
138P91.5Very high92Very high34 Ų3437.2 Ų37.222%0.22122%0.222CC..THydrogen-bonded Turntrans-69.5-21.1179.631-35.6000112.3I136 K140 W144 F171 H172I136-P138 WeakPolarHBondContact O-CD 3.4Å; P138-K140 PolarHBondContact O-N 3.11Å; P138-W144 HydrophobicContact CB-CZ2 4.27Å; P138-W144 PolarHBondContact O-NE1 3.41Å; P138-F171 HydrophobicContact CB-CD1 3.94Å; P138-F171 HydrophobicContact CB-CD2 4.37Å; P138-F171 HydrophobicContact CB-CE1 3.86Å; P138-F171 HydrophobicContact CB-CE2 4.31Å; P138-F171 HydrophobicContact CB-CG 4.2Å; P138-F171 HydrophobicContact CB-CZ 4.06Å; P138-F171 HydrophobicContact CG-CE1 4.46Å; P138-H172 PolarHBondContact O-NE2 3.26Å
139D90.7Very high92Very high99 Ų9934.8 Ų34.853%0.52921%0.211SC..THydrogen-bonded Turntrans-71.3-8.3-177.664.8-54.4000114.4H137 P141 H172H137-D139 WeakPolarHBondContact CA-OD1 3.14Å; H137-D139 PolarHBondContact O-N 3.45Å; D139-P141 VanDerWaalsContact O-CD 3.28Å; D139-P141 WeakPolarHBondContact O-CD 3.45Å; D139-H172 VanDerWaalsContact C-CE1 3.4Å; D139-H172 PolarHBondContact O-CE1 2.71Å
140K91.9Very high91.9Very high67 Ų6734.6 Ų34.629%0.29121%0.21SC..  trans-109.8100.2-173.8-62.1177.9-170.9158.40111.6V107 H137 P138 A142 L143V107-K140 HydrophobicContact CG2-CD 4.2Å; H137-K140 HydrophobicContact CB-CD 4.31Å; H137-K140 PolarHBondContact ND1-NZ 3.3Å; P138-K140 PolarHBondContact O-N 3.11Å; K140-A142 VanDerWaalsContact C-N 3.26Å; K140-A142 PolarHBondContact O-N 3.35Å; K140-L143 HydrophobicContact CB-CB 4.48Å; K140-L143 HydrophobicContact CB-CD1 3.9Å; K140-L143 HydrophobicContact CB-CG 3.93Å; K140-L143 HydrophobicContact CD-CD1 4.05Å; K140-L143 PolarHBondContact O-N 2.91Å; K140-L143 VanDerWaalsContact O-N 3.11Å
141P92.3Very high91.7Very high29 Ų2934.9 Ų34.919%0.18821%0.212CC..Hα-helixtrans-55.3-37-179-2328000114.1D139 L143 W144 I145 N175 V178D139-P141 VanDerWaalsContact O-CD 3.28Å; D139-P141 WeakPolarHBondContact O-CD 3.45Å; P141-L143 PolarHBondContact O-N 3.13Å; P141-W144 WeakPolarHBondContact O-CB 3.41Å; P141-W144 PolarHBondContact O-N 3.31Å; P141-W144 VanDerWaalsContact O-N 3.16Å; P141-I145 WeakPolarHBondContact O-CG1 3.3Å; P141-I145 PolarHBondContact O-N 3.19Å; P141-I145 VanDerWaalsContact O-N 3.12Å; P141-N175 VanDerWaalsContact CG-ND2 3.27Å; P141-N175 WeakPolarHBondContact CG-ND2 3.38Å; P141-V178 HydrophobicContact CB-CG2 3.76Å
142A93.8Very high91.4Very high68 Ų6833.4 Ų33.456%0.56220%0.196SC*.Hα-helixtrans-61-32.8-178.900000113K140 M146K140-A142 VanDerWaalsContact C-N 3.26Å; K140-A142 PolarHBondContact O-N 3.35Å; A142-M146 WeakPolarHBondContact O-CB 3.37Å; A142-M146 PolarHBondContact O-N 3.08Å
143L93.6Very high91Very high9 Ų937 Ų375%0.04721%0.206CC..Hα-helixtrans-71.1-37.1178.2-61.9-176.3000111.5V107 L111 M133 L134 H137 K140 P141 M146 A147V107-L143 HydrophobicContact CG1-CD1 4.34Å; V107-L143 HydrophobicContact CG1-CD2 4.02Å; L111-L143 HydrophobicContact CD2-CD2 4.23Å; M133-L143 HydrophobicContact CE-CB 4.16Å; M133-L143 HydrophobicContact CE-CD1 4.42Å; M133-L143 HydrophobicContact CE-CD2 4Å; M133-L143 HydrophobicContact CE-CG 4.42Å; M133-L143 HydrophobicContact CG-CD1 4.21Å; M133-L143 HydrophobicContact SD-CD1 4.15Å; M133-L143 HydrophobicContact SD-CD2 4.06Å; L134-L143 HydrophobicContact CD2-CB 3.83Å; H137-L143 HydrophobicContact CB-CD1 3.63Å; K140-L143 HydrophobicContact CB-CB 4.48Å; K140-L143 HydrophobicContact CB-CD1 3.9Å; K140-L143 HydrophobicContact CB-CG 3.93Å; K140-L143 HydrophobicContact CD-CD1 4.05Å; K140-L143 PolarHBondContact O-N 2.91Å; K140-L143 VanDerWaalsContact O-N 3.11Å; P141-L143 PolarHBondContact O-N 3.13Å; L143-M146 PolarHBondContact O-N 3.23Å; L143-A147 WeakPolarHBondContact O-CB 3.39Å; L143-A147 PolarHBondContact O-N 2.95Å
144W95.3Very high90.3Very high0 Ų038.9 Ų38.90%022%0.216CC..Hα-helixtrans-63.6-47.5174.6-69.697.9000111.6L134 P138 P141 M146 A147 A148 L164 R167 A168 F171L134-W144 HydrophobicContact CB-CH2 4.03Å; L134-W144 HydrophobicContact CB-CZ2 4.14Å; L134-W144 HydrophobicContact CB-CZ3 4.38Å; L134-W144 HydrophobicContact CD1-CD2 4.21Å; L134-W144 HydrophobicContact CD1-CE3 3.74Å; L134-W144 HydrophobicContact CD1-CH2 4.27Å; L134-W144 HydrophobicContact CD1-CZ3 3.77Å; L134-W144 HydrophobicContact CD2-CD2 3.71Å; L134-W144 HydrophobicContact CD2-CE3 4.13Å; L134-W144 HydrophobicContact CD2-CG 3.9Å; L134-W144 HydrophobicContact CD2-CZ2 4.3Å; L134-W144 HydrophobicContact CG-CD2 4.46Å; L134-W144 HydrophobicContact CG-CE3 4.42Å; L134-W144 HydrophobicContact CG-CZ3 4.47Å; P138-W144 HydrophobicContact CB-CZ2 4.27Å; P138-W144 PolarHBondContact O-NE1 3.41Å; P141-W144 WeakPolarHBondContact O-CB 3.41Å; P141-W144 PolarHBondContact O-N 3.31Å; P141-W144 VanDerWaalsContact O-N 3.16Å; W144-M146 VanDerWaalsContact C-N 3.3Å; W144-M146 PolarHBondContact O-N 3.33Å; W144-A147 PolarHBondContact O-N 3.39Å; W144-A148 PolarHBondContact O-N 3.3Å; W144-L164 HydrophobicContact CE3-CD2 4.42Å; W144-L164 HydrophobicContact CZ3-CD2 4.19Å; W144-R167 HydrophobicContact CH2-CB 4.31Å; W144-R167 HydrophobicContact CH2-CG 3.63Å; W144-R167 HydrophobicContact CZ3-CB 3.9Å; W144-R167 HydrophobicContact CZ3-CG 3.73Å; W144-A168 HydrophobicContact CB-CB 3.57Å; W144-A168 HydrophobicContact CD2-CB 3.7Å; W144-A168 HydrophobicContact CE3-CB 3.9Å; W144-A168 HydrophobicContact CG-CB 3.55Å; W144-F171 HydrophobicContact CH2-CD2 4.25Å; W144-F171 HydrophobicContact CH2-CE2 4.1Å; W144-F171 AromaticContact CZ2-CD2 3.67Å; W144-F171 HydrophobicContact CZ2-CD2 3.67Å; W144-F171 AromaticContact CZ2-CE2 3.81Å; W144-F171 HydrophobicContact CZ2-CE2 3.81Å
145I93.9Very high89.4Confident19 Ų1944.6 Ų44.610%0.09724%0.238CC..Hα-helixtrans-58.7-45.4176.7-65.1165.2000110P141 A147 A148 K149 F165 K177 V178 E181P141-I145 WeakPolarHBondContact O-CG1 3.3Å; P141-I145 PolarHBondContact O-N 3.19Å; P141-I145 VanDerWaalsContact O-N 3.12Å; I145-A147 PolarHBondContact O-N 2.89Å; I145-A148 PolarHBondContact O-N 3.07Å; I145-K149 HydrophobicContact CG2-CD 4.07Å; I145-K149 HydrophobicContact CG2-CG 4.45Å; I145-K149 WeakPolarHBondContact O-CB 3.39Å; I145-K149 WeakPolarHBondContact O-CG 3.23Å; I145-K149 PolarHBondContact O-N 3.22Å; I145-F165 HydrophobicContact CG1-CE1 4.26Å; I145-K177 HydrophobicContact CD1-CB 4.11Å; I145-V178 HydrophobicContact CD1-CG2 4.24Å; I145-V178 HydrophobicContact CG1-CG2 4.35Å; I145-E181 HydrophobicContact CD1-CG 4.18Å; I145-E181 HydrophobicContact CG1-CB 4.3Å; I145-E181 HydrophobicContact CG1-CG 4.34Å; I145-E181 HydrophobicContact CG2-CB 4.03Å; I145-E181 HydrophobicContact CG2-CG 3.75Å
146M92.4Very high88.7Confident72 Ų7245.4 Ų45.436%0.35523%0.233SC..Hα-helixtrans-61.9-44178.7-175.5-177.2-66.500112.5L111 F130 A142 L143 W144 S150L111-M146 HydrophobicContact CD2-CE 3.75Å; L111-M146 HydrophobicContact CD2-SD 3.55Å; L111-M146 VanDerWaalsContact CD2-SD 3.55Å; F130-M146 HydrophobicContact CE1-CB 4.41Å; F130-M146 HydrophobicContact CE1-CG 3.94Å; F130-M146 HydrophobicContact CE1-SD 4.14Å; F130-M146 HydrophobicContact CZ-CG 3.97Å; F130-M146 HydrophobicContact CZ-SD 4.35Å; A142-M146 WeakPolarHBondContact O-CB 3.37Å; A142-M146 PolarHBondContact O-N 3.08Å; L143-M146 PolarHBondContact O-N 3.23Å; W144-M146 VanDerWaalsContact C-N 3.3Å; W144-M146 PolarHBondContact O-N 3.33Å; M146-S150 WeakPolarHBondContact O-CB 3.39Å; M146-S150 PolarHBondContact O-N 3.43Å
147A92.5Very high88.3Confident0 Ų044 Ų440%023%0.228CC..Hα-helixtrans-62.1-46.8177.700000111.6F130 L134 L143 W144 I145 S150 E151 L164F130-A147 HydrophobicContact CB-CB 3.95Å; F130-A147 HydrophobicContact CD1-CB 3.44Å; F130-A147 VanDerWaalsContact CD1-CB 3.44Å; F130-A147 HydrophobicContact CD2-CB 4.32Å; F130-A147 HydrophobicContact CE1-CB 3.98Å; F130-A147 HydrophobicContact CG-CB 3.67Å; L134-A147 HydrophobicContact CD1-CB 3.76Å; L143-A147 WeakPolarHBondContact O-CB 3.39Å; L143-A147 PolarHBondContact O-N 2.95Å; W144-A147 PolarHBondContact O-N 3.39Å; I145-A147 PolarHBondContact O-N 2.89Å; A147-S150 WeakPolarHBondContact O-CB 3.09Å; A147-S150 PolarHBondContact O-N 2.86Å; A147-E151 PolarHBondContact O-N 3.01Å; A147-L164 HydrophobicContact CB-CD1 4.05Å
148A92.6Very high88Confident1 Ų144 Ų441%0.00823%0.229CC..Hα-helixtrans-64.9-41.8-179.900000112.3W144 I145 S150 E151 L152 A161 L164 F165W144-A148 PolarHBondContact O-N 3.3Å; I145-A148 PolarHBondContact O-N 3.07Å; A148-S150 VanDerWaalsContact C-N 3.33Å; A148-S150 PolarHBondContact O-N 3.43Å; A148-E151 PolarHBondContact O-N 3.42Å; A148-L152 PolarHBondContact O-N 3.43Å; A148-L152 VanDerWaalsContact O-N 3.15Å; A148-A161 HydrophobicContact CB-CB 4.33Å; A148-A161 WeakPolarHBondContact O-CB 3.34Å; A148-L164 HydrophobicContact CB-CB 4.08Å; A148-L164 HydrophobicContact CB-CD1 4.4Å; A148-F165 HydrophobicContact CB-CD1 4.41Å; A148-F165 HydrophobicContact CB-CD2 3.71Å; A148-F165 HydrophobicContact CB-CE1 4.09Å; A148-F165 HydrophobicContact CB-CE2 3.34Å; A148-F165 HydrophobicContact CB-CG 4.24Å; A148-F165 HydrophobicContact CB-CZ 3.55Å
149K89.9Confident87.8Confident74 Ų7448.3 Ų48.332%0.32225%0.246SC..Hα-helixtrans-59-43.7172.8-74.7-178.1179.4-1760111.9I145 L152 E153 E181I145-K149 HydrophobicContact CG2-CD 4.07Å; I145-K149 HydrophobicContact CG2-CG 4.45Å; I145-K149 WeakPolarHBondContact O-CB 3.39Å; I145-K149 WeakPolarHBondContact O-CG 3.23Å; I145-K149 PolarHBondContact O-N 3.22Å; K149-L152 PolarHBondContact O-N 2.92Å; K149-E153 WeakPolarHBondContact O-CB 3.43Å; K149-E153 WeakPolarHBondContact O-CG 3.15Å; K149-E153 PolarHBondContact O-N 3.36Å; K149-E181 VanDerWaalsContact CE-CD 3.44Å; K149-E181 WeakPolarHBondContact CE-OE2 3.32Å; K149-E181 IonicContact NZ-OE1 3.88Å; K149-E181 PolarHBondContact NZ-OE1 2.71Å; K149-E181 IonicContact NZ-OE2 3.39Å; K149-E181 PolarHBondContact NZ-OE2 2.99Å
150S87.6Confident87.5Confident1 Ų145.4 Ų45.41%0.00723%0.234CC..Hα-helixtrans-64.1-40.4178.1-156.20000112.8K118 I126 F130 M146 A147 A148 L152 D154K118-S150 WeakPolarHBondContact CE-OG 3.36Å; I126-S150 WeakPolarHBondContact CG2-OG 3.13Å; F130-S150 VanDerWaalsContact CE2-CB 3.46Å; F130-S150 WeakPolarHBondContact CE2-OG 3.38Å; M146-S150 WeakPolarHBondContact O-CB 3.39Å; M146-S150 PolarHBondContact O-N 3.43Å; A147-S150 WeakPolarHBondContact O-CB 3.09Å; A147-S150 PolarHBondContact O-N 2.86Å; A148-S150 VanDerWaalsContact C-N 3.33Å; A148-S150 PolarHBondContact O-N 3.43Å; S150-L152 VanDerWaalsContact C-N 3.29Å; S150-L152 PolarHBondContact O-N 3.07Å; S150-D154 WeakPolarHBondContact O-CB 3.45Å; S150-D154 PolarHBondContact O-N 3.45Å; S150-D154 PolarHBondContact OG-OD2 2.71Å
151E86.8Confident87.5Confident10 Ų1042.2 Ų42.25%0.04722%0.22CC..Hα-helixtrans-64.7-34.5175.8-70.8-63.2138.800112.3S127 A147 A148 R155 N156 S157 L164S127-E151 WeakPolarHBondContact CB-OE1 3.33Å; S127-E151 PolarHBondContact OG-OE1 3.34Å; A147-E151 PolarHBondContact O-N 3.01Å; A148-E151 PolarHBondContact O-N 3.42Å; E151-R155 CarbonylContact O-C 3.59Å; E151-R155 WeakPolarHBondContact O-CB 3.15Å; E151-R155 PolarHBondContact O-N 3.14Å; E151-R155 WeakPolarHBondContact OE2-CD 3.19Å; E151-R155 IonicContact OE2-CZ 3.21Å; E151-R155 IonicContact OE2-NH1 2.79Å; E151-R155 PolarHBondContact OE2-NH1 3.24Å; E151-N156 PolarHBondContact O-N 3.2Å; E151-S157 PolarHBondContact O-N 3.1Å; E151-L164 HydrophobicContact CG-CD1 3.74Å
152L84.5Confident87.5Confident23 Ų2343.2 Ų43.212%0.1222%0.22CC..Hα-helixtrans-72-50.8176.6-169.873.3000112.2A148 K149 S150 N156 A161 M185 L188A148-L152 PolarHBondContact O-N 3.43Å; A148-L152 VanDerWaalsContact O-N 3.15Å; K149-L152 PolarHBondContact O-N 2.92Å; S150-L152 VanDerWaalsContact C-N 3.29Å; S150-L152 PolarHBondContact O-N 3.07Å; L152-N156 VanDerWaalsContact O-CA 3.31Å; L152-N156 WeakPolarHBondContact O-CA 3.43Å; L152-N156 PolarHBondContact O-N 3.27Å; L152-A161 HydrophobicContact CB-CB 4.46Å; L152-M185 HydrophobicContact CD1-CG 4.4Å; L152-M185 HydrophobicContact CD1-SD 4.47Å; L152-M185 HydrophobicContact CD2-CG 3.93Å; L152-L188 HydrophobicContact CD2-CD2 3.57Å; L152-L188 HydrophobicContact CD2-CG 4.32Å
153E82.1Confident87.4Confident134 Ų13445.3 Ų45.363%0.62622%0.218SC*.Hα-helixtrans-71.8-48.3-176.1-69.9171.218000112.2K149K149-E153 WeakPolarHBondContact O-CB 3.43Å; K149-E153 WeakPolarHBondContact O-CG 3.15Å; K149-E153 PolarHBondContact O-N 3.36Å
154D77.8Confident87.4Confident39 Ų3946.3 Ų46.321%0.20922%0.223CC..Hα-helixtrans-88.3-36.1-169.1-57.7-57.9000112.3K118 K123 S150K118-D154 WeakPolarHBondContact CE-OD2 3.02Å; K118-D154 IonicContact NZ-OD2 3.68Å; K123-D154 VanDerWaalsContact CD-O 3.31Å; K123-D154 WeakPolarHBondContact CD-O 3.06Å; K123-D154 WeakPolarHBondContact CE-O 3.29Å; K123-D154 PolarHBondContact NZ-O 3.27Å; S150-D154 WeakPolarHBondContact O-CB 3.45Å; S150-D154 PolarHBondContact O-N 3.45Å; S150-D154 PolarHBondContact OG-OD2 2.71Å
155R73.9Confident87.3Confident122 Ų12246.4 Ų46.446%0.4622%0.224SC..Hα-helixtrans-109.8-6.3-174.7-66.4-168.266.9-141.94.3114.4K123 S127 E151 S157K123-R155 HydrophobicContact CB-CG 4.29Å; S127-R155 WeakPolarHBondContact OG-CD 3.48Å; E151-R155 CarbonylContact O-C 3.59Å; E151-R155 WeakPolarHBondContact O-CB 3.15Å; E151-R155 PolarHBondContact O-N 3.14Å; E151-R155 WeakPolarHBondContact OE2-CD 3.19Å; E151-R155 IonicContact OE2-CZ 3.21Å; E151-R155 IonicContact OE2-NH1 2.79Å; E151-R155 PolarHBondContact OE2-NH1 3.24Å; R155-S157 PolarHBondContact O-N 2.97Å
156N77.4Confident87.2Confident83 Ų8349.1 Ų49.144%0.44424%0.238SC..  trans54.235.5-178.7-166.623.9000113.1E151 L152 K192E151-N156 PolarHBondContact O-N 3.2Å; L152-N156 VanDerWaalsContact O-CA 3.31Å; L152-N156 WeakPolarHBondContact O-CA 3.43Å; L152-N156 PolarHBondContact O-N 3.27Å; N156-K192 PolarHBondContact ND2-NZ 3.11Å; N156-K192 WeakPolarHBondContact OD1-CE 3.43Å; N156-K192 PolarHBondContact OD1-NZ 3.19Å
157S83.7Confident87.3Confident30 Ų3050.6 Ų50.621%0.2124%0.239CC..  trans-113.491.2-178.4-173.80000110.9E151 R155 E159 S160 A161E151-S157 PolarHBondContact O-N 3.1Å; R155-S157 PolarHBondContact O-N 2.97Å; S157-E159 PolarHBondContact O-N 3.15Å; S157-S160 PolarHBondContact O-N 3.06Å; S157-S160 WeakPolarHBondContact OG-CB 3.2Å; S157-S160 PolarHBondContact OG-N 3.15Å; S157-S160 PolarHBondContact OG-OG 3.39Å; S157-A161 PolarHBondContact O-N 2.91Å
158S84.1Confident87.3Confident9 Ų950.6 Ų50.66%0.06324%0.239CC..Hα-helixtrans-61.9-33.7175-51.60000112.3A161 R162 H189S158-A161 PolarHBondContact O-N 3.47Å; S158-R162 WeakPolarHBondContact O-CB 3.25Å; S158-R162 PolarHBondContact O-N 3.01Å; S158-H189 PolarHBondContact OG-CE1 3.46Å; S158-H189 VanDerWaalsContact OG-CG 3.28Å; S158-H189 PolarHBondContact OG-ND1 3.08Å
159E86.1Confident87.3Confident125 Ų12551.1 Ų51.158%0.58424%0.242SC*.Hα-helixtrans-64.9-44.6177.3-174.2177.4-169.900112.1S157 A161 R162 H163S157-E159 PolarHBondContact O-N 3.15Å; E159-A161 VanDerWaalsContact C-N 3.34Å; E159-A161 PolarHBondContact O-N 2.92Å; E159-R162 PolarHBondContact O-N 2.86Å; E159-H163 PolarHBondContact O-N 3.36Å; E159-H163 PolarHBondContact O-ND1 3.22Å; E159-H163 IonicContact OE1-CE1 3.21Å
160S86.4Confident87.4Confident39 Ų3957.7 Ų57.727%0.27327%0.265SS..Hα-helixtrans-64.7-40.6177.3-59.20000111.3S157 H163 L164S157-S160 PolarHBondContact O-N 3.06Å; S157-S160 WeakPolarHBondContact OG-CB 3.2Å; S157-S160 PolarHBondContact OG-N 3.15Å; S157-S160 PolarHBondContact OG-OG 3.39Å; S160-H163 PolarHBondContact O-N 3.41Å; S160-L164 WeakPolarHBondContact O-CG 3.4Å; S160-L164 PolarHBondContact O-N 3.23Å; S160-L164 VanDerWaalsContact O-N 3.07Å
161A90.4Very high87.5Confident0 Ų062.3 Ų62.30%029%0.285CS..Hα-helixtrans-61.5-44.9174.700000111.7A148 L152 S157 S158 E159 H163 L164 F165 M185A148-A161 HydrophobicContact CB-CB 4.33Å; A148-A161 WeakPolarHBondContact O-CB 3.34Å; L152-A161 HydrophobicContact CB-CB 4.46Å; S157-A161 PolarHBondContact O-N 2.91Å; S158-A161 PolarHBondContact O-N 3.47Å; E159-A161 VanDerWaalsContact C-N 3.34Å; E159-A161 PolarHBondContact O-N 2.92Å; A161-H163 PolarHBondContact O-N 3.3Å; A161-L164 WeakPolarHBondContact O-CB 3.25Å; A161-L164 PolarHBondContact O-N 3Å; A161-F165 VanDerWaalsContact O-CD2 3.22Å; A161-F165 WeakPolarHBondContact O-CD2 3.29Å; A161-F165 PolarHBondContact O-N 3.4Å; A161-M185 HydrophobicContact CB-CE 4.33Å; A161-M185 HydrophobicContact CB-CG 4.29Å; A161-M185 HydrophobicContact CB-SD 4.17Å
162R92.1Very high87.8Confident50 Ų5063.2 Ų63.219%0.18929%0.289CS..Hα-helixtrans-58.6-47.2175.3-174.3178.2-59.4127.13.6112.1S158 E159 L164 F165 L166 Y182 M185 E186S158-R162 WeakPolarHBondContact O-CB 3.25Å; S158-R162 PolarHBondContact O-N 3.01Å; E159-R162 PolarHBondContact O-N 2.86Å; R162-L164 VanDerWaalsContact C-N 3.28Å; R162-L164 PolarHBondContact O-N 3.11Å; R162-F165 PolarHBondContact O-N 3.2Å; R162-L166 HydrophobicContact CG-CD1 4.08Å; R162-L166 HydrophobicContact CG-CG 4.4Å; R162-L166 WeakPolarHBondContact O-CG 3.24Å; R162-L166 PolarHBondContact O-N 3.24Å; R162-Y182 HydrophobicContact CB-CE2 4.49Å; R162-Y182 HydrophobicContact CG-CE2 3.94Å; R162-M185 HydrophobicContact CB-CE 4.02Å; R162-E186 IonicContact CZ-OE1 2.8Å; R162-E186 IonicContact CZ-OE2 2.74Å; R162-E186 IonicContact NE-OE1 3.44Å; R162-E186 PolarHBondContact NE-OE1 3.04Å; R162-E186 IonicContact NE-OE2 2.66Å; R162-E186 PolarHBondContact NE-OE2 3.45Å; R162-E186 IonicContact NH2-OE1 3.56Å; R162-E186 PolarHBondContact NH2-OE1 3.23Å; R162-E186 IonicContact NH2-OE2 3.46Å; R162-E186 PolarHBondContact NH2-OE2 2.78Å
163H92Very high88Confident112 Ų11264.7 Ų64.752%0.51930%0.3SS..Hα-helixtrans-59.2-39.3176.6-77.888.2000112.4E159 S160 A161 R167E159-H163 PolarHBondContact O-N 3.36Å; E159-H163 PolarHBondContact O-ND1 3.22Å; E159-H163 IonicContact OE1-CE1 3.21Å; S160-H163 PolarHBondContact O-N 3.41Å; A161-H163 PolarHBondContact O-N 3.3Å; H163-R167 WeakPolarHBondContact O-CB 3.42Å; H163-R167 PolarHBondContact O-N 3.39Å
164L93Very high88.4Confident30 Ų3063.7 Ų63.716%0.15730%0.299CS..Hα-helixtrans-65.5-43.8175.9-73.5170.4000112L134 W144 A147 A148 E151 S160 A161 R162 R167 A168L134-L164 HydrophobicContact CD1-CD2 3.94Å; W144-L164 HydrophobicContact CE3-CD2 4.42Å; W144-L164 HydrophobicContact CZ3-CD2 4.19Å; A147-L164 HydrophobicContact CB-CD1 4.05Å; A148-L164 HydrophobicContact CB-CB 4.08Å; A148-L164 HydrophobicContact CB-CD1 4.4Å; E151-L164 HydrophobicContact CG-CD1 3.74Å; S160-L164 WeakPolarHBondContact O-CG 3.4Å; S160-L164 PolarHBondContact O-N 3.23Å; S160-L164 VanDerWaalsContact O-N 3.07Å; A161-L164 WeakPolarHBondContact O-CB 3.25Å; A161-L164 PolarHBondContact O-N 3Å; R162-L164 VanDerWaalsContact C-N 3.28Å; R162-L164 PolarHBondContact O-N 3.11Å; L164-R167 PolarHBondContact O-N 3.14Å; L164-A168 WeakPolarHBondContact O-CB 3.29Å; L164-A168 PolarHBondContact O-N 2.92Å
165F94.2Very high89.1Confident2 Ų264 Ų641%0.00930%0.301CS..Hα-helixtrans-65.5-45.2176.2-78.2-63.6000112.7I145 A148 A161 R162 R167 A168 L169 V178 E181 Y182 M185I145-F165 HydrophobicContact CG1-CE1 4.26Å; A148-F165 HydrophobicContact CB-CD1 4.41Å; A148-F165 HydrophobicContact CB-CD2 3.71Å; A148-F165 HydrophobicContact CB-CE1 4.09Å; A148-F165 HydrophobicContact CB-CE2 3.34Å; A148-F165 HydrophobicContact CB-CG 4.24Å; A148-F165 HydrophobicContact CB-CZ 3.55Å; A161-F165 VanDerWaalsContact O-CD2 3.22Å; A161-F165 WeakPolarHBondContact O-CD2 3.29Å; A161-F165 PolarHBondContact O-N 3.4Å; R162-F165 PolarHBondContact O-N 3.2Å; F165-R167 VanDerWaalsContact C-N 3.26Å; F165-R167 PolarHBondContact O-N 3.02Å; F165-A168 WeakPolarHBondContact O-CA 3.16Å; F165-A168 WeakPolarHBondContact O-CB 3.36Å; F165-A168 PolarHBondContact O-N 3.48Å; F165-L169 WeakPolarHBondContact O-CG 3.32Å; F165-L169 PolarHBondContact O-N 2.84Å; F165-V178 HydrophobicContact CD1-CG1 4.16Å; F165-E181 HydrophobicContact CE1-CB 3.88Å; F165-E181 HydrophobicContact CZ-CB 3.98Å; F165-Y182 HydrophobicContact CB-CD1 4.31Å; F165-Y182 HydrophobicContact CB-CD2 3.43Å; F165-Y182 VanDerWaalsContact CB-CD2 3.43Å; F165-Y182 HydrophobicContact CB-CE2 3.98Å; F165-Y182 HydrophobicContact CB-CG 3.65Å; F165-Y182 HydrophobicContact CD1-CG 4.4Å; F165-Y182 AromaticContact CD2-CD2 3.64Å; F165-Y182 HydrophobicContact CD2-CD2 3.64Å; F165-Y182 HydrophobicContact CD2-CE2 4.49Å; F165-Y182 HydrophobicContact CD2-CG 4.28Å; F165-Y182 AromaticContact CG-CD2 3.65Å; F165-Y182 HydrophobicContact CG-CD2 3.65Å; F165-Y182 AromaticContact CG-CG 3.9Å; F165-Y182 HydrophobicContact CG-CG 3.9Å; F165-M185 HydrophobicContact CD2-CB 4.48Å; F165-M185 HydrophobicContact CD2-CE 3.87Å; F165-M185 HydrophobicContact CE2-CB 3.77Å; F165-M185 HydrophobicContact CE2-CE 4.21Å; F165-M185 HydrophobicContact CE2-CG 3.96Å; F165-M185 HydrophobicContact CZ-CB 4.48Å
166L92.4Very high90Very high76 Ų7661.6 Ų61.640%0.39829%0.294SS..Hα-helixtrans-60-38.4175.7-70.6175.3000111.6R162 R170 Y182R162-L166 HydrophobicContact CG-CD1 4.08Å; R162-L166 HydrophobicContact CG-CG 4.4Å; R162-L166 WeakPolarHBondContact O-CG 3.24Å; R162-L166 PolarHBondContact O-N 3.24Å; L166-R170 WeakPolarHBondContact O-CG 3.43Å; L166-R170 PolarHBondContact O-N 3.27Å; L166-Y182 HydrophobicContact CD2-CE1 4.09Å
167R93.4Very high90.8Very high102 Ų10264.3 Ų64.339%0.38530%0.302SS..Hα-helixtrans-68.7-39.3173.5-171.9173.7169.8-155.9-9.4111.6W144 H163 L164 F165 L169 R170 F171W144-R167 HydrophobicContact CH2-CB 4.31Å; W144-R167 HydrophobicContact CH2-CG 3.63Å; W144-R167 HydrophobicContact CZ3-CB 3.9Å; W144-R167 HydrophobicContact CZ3-CG 3.73Å; H163-R167 WeakPolarHBondContact O-CB 3.42Å; H163-R167 PolarHBondContact O-N 3.39Å; L164-R167 PolarHBondContact O-N 3.14Å; F165-R167 VanDerWaalsContact C-N 3.26Å; F165-R167 PolarHBondContact O-N 3.02Å; R167-L169 VanDerWaalsContact C-N 3.33Å; R167-L169 PolarHBondContact O-N 3.49Å; R167-R170 WeakPolarHBondContact O-CB 3.35Å; R167-R170 PolarHBondContact O-N 3.38Å; R167-F171 HydrophobicContact CG-CD2 4.46Å; R167-F171 HydrophobicContact CG-CE2 4.03Å; R167-F171 VanDerWaalsContact O-CD2 3.29Å; R167-F171 WeakPolarHBondContact O-CD2 3.28Å
168A93.7Very high91.3Very high0 Ų062.9 Ų62.90%029%0.292CS..Hα-helixtrans-60.1-42.8175.400000111.7W144 L164 F165 R170 F171 H172 V178W144-A168 HydrophobicContact CB-CB 3.57Å; W144-A168 HydrophobicContact CD2-CB 3.7Å; W144-A168 HydrophobicContact CE3-CB 3.9Å; W144-A168 HydrophobicContact CG-CB 3.55Å; L164-A168 WeakPolarHBondContact O-CB 3.29Å; L164-A168 PolarHBondContact O-N 2.92Å; F165-A168 WeakPolarHBondContact O-CA 3.16Å; F165-A168 WeakPolarHBondContact O-CB 3.36Å; F165-A168 PolarHBondContact O-N 3.48Å; A168-R170 PolarHBondContact O-N 2.94Å; A168-F171 PolarHBondContact O-N 3.32Å; A168-H172 WeakPolarHBondContact O-CB 3.42Å; A168-H172 PolarHBondContact O-N 3.02Å; A168-V178 HydrophobicContact CB-CG1 3.9Å
169L92.4Very high91.8Very high13 Ų1362.5 Ų62.57%0.06829%0.289CS..Hα-helixtrans-65.8-21.7177.4-70.1177000113.6F165 R167 P173 V178 Y179 Y182F165-L169 WeakPolarHBondContact O-CG 3.32Å; F165-L169 PolarHBondContact O-N 2.84Å; R167-L169 VanDerWaalsContact C-N 3.33Å; R167-L169 PolarHBondContact O-N 3.49Å; L169-P173 VanDerWaalsContact O-CA 3.31Å; L169-P173 WeakPolarHBondContact O-CA 3.28Å; L169-V178 HydrophobicContact CD2-CB 4.22Å; L169-V178 HydrophobicContact CD2-CG1 3.63Å; L169-V178 HydrophobicContact CG-CG1 4Å; L169-Y179 HydrophobicContact CD1-CD1 4.19Å; L169-Y179 HydrophobicContact CD1-CE1 3.64Å; L169-Y179 HydrophobicContact CD2-CD1 4.07Å; L169-Y179 HydrophobicContact CD2-CD2 3.8Å; L169-Y179 HydrophobicContact CD2-CE1 3.79Å; L169-Y179 HydrophobicContact CD2-CE2 3.49Å; L169-Y179 VanDerWaalsContact CD2-CE2 3.49Å; L169-Y179 HydrophobicContact CD2-CG 4.07Å; L169-Y179 VanDerWaalsContact CD2-CZ 3.47Å; L169-Y179 HydrophobicContact CG-CE1 4.38Å; L169-Y182 HydrophobicContact CD1-CD1 3.89Å; L169-Y182 HydrophobicContact CD1-CE1 4.16Å
170R91.8Very high92.1Very high212 Ų21259 Ų5980%0.827%0.272SS*.Hα-helixtrans-70.9-33.2170.4-65.5176.2-174.4-1730.6112.5L166 R167 A168L166-R170 WeakPolarHBondContact O-CG 3.43Å; L166-R170 PolarHBondContact O-N 3.27Å; R167-R170 WeakPolarHBondContact O-CB 3.35Å; R167-R170 PolarHBondContact O-N 3.38Å; A168-R170 PolarHBondContact O-N 2.94Å
171F90.3Very high92.5Very high97 Ų9759.4 Ų59.443%0.42527%0.27SS..Hα-helixtrans-87.9-29.6176.8-68.8-75.7000112.4P138 W144 R167 A168P138-F171 HydrophobicContact CB-CD1 3.94Å; P138-F171 HydrophobicContact CB-CD2 4.37Å; P138-F171 HydrophobicContact CB-CE1 3.86Å; P138-F171 HydrophobicContact CB-CE2 4.31Å; P138-F171 HydrophobicContact CB-CG 4.2Å; P138-F171 HydrophobicContact CB-CZ 4.06Å; P138-F171 HydrophobicContact CG-CE1 4.46Å; W144-F171 HydrophobicContact CH2-CD2 4.25Å; W144-F171 HydrophobicContact CH2-CE2 4.1Å; W144-F171 AromaticContact CZ2-CD2 3.67Å; W144-F171 HydrophobicContact CZ2-CD2 3.67Å; W144-F171 AromaticContact CZ2-CE2 3.81Å; W144-F171 HydrophobicContact CZ2-CE2 3.81Å; R167-F171 HydrophobicContact CG-CD2 4.46Å; R167-F171 HydrophobicContact CG-CE2 4.03Å; R167-F171 VanDerWaalsContact O-CD2 3.29Å; R167-F171 WeakPolarHBondContact O-CD2 3.28Å; A168-F171 PolarHBondContact O-N 3.32Å
172H91.8Very high92.7Very high29 Ų2960.2 Ų60.213%0.13427%0.273CS..  trans-130.864.8-172-61.4-66.2000111.4P138 D139 A168 D174 N175P138-H172 PolarHBondContact O-NE2 3.26Å; D139-H172 VanDerWaalsContact C-CE1 3.4Å; D139-H172 PolarHBondContact O-CE1 2.71Å; A168-H172 WeakPolarHBondContact O-CB 3.42Å; A168-H172 PolarHBondContact O-N 3.02Å; H172-D174 PolarHBondContact O-N 3.12Å; H172-N175 HydrophobicContact CB-CB 3.81Å; H172-N175 PolarHBondContact O-N 2.74Å
173P88.9Confident92.8Very high55 Ų5557.8 Ų57.836%0.35726%0.264SS..THydrogen-bonded Turntrans-66.1-22.6-171.426.6-35.7000114.2L169 Y179 K232L169-P173 VanDerWaalsContact O-CA 3.31Å; L169-P173 WeakPolarHBondContact O-CA 3.28Å; P173-Y179 VanDerWaalsContact O-CE2 3.3Å; P173-Y179 WeakPolarHBondContact O-CE2 3.45Å; P173-K232 WeakPolarHBondContact O-CD 3.47Å
174D89.9Confident92.8Very high112 Ų11257.5 Ų57.560%0.59926%0.259SS*.THydrogen-bonded Turntrans-111.210.5-176.7-52.5-39.6000112.6H172 K176H172-D174 PolarHBondContact O-N 3.12Å; D174-K176 PolarHBondContact O-N 3.43Å
175N92.8Very high92.8Very high47 Ų4756.5 Ų56.525%0.25125%0.253SS..  trans-82105.2-175-167.1-68.8000112.3P141 H172 K177 V178 Y179P141-N175 VanDerWaalsContact CG-ND2 3.27Å; P141-N175 WeakPolarHBondContact CG-ND2 3.38Å; H172-N175 HydrophobicContact CB-CB 3.81Å; H172-N175 PolarHBondContact O-N 2.74Å; N175-K177 VanDerWaalsContact C-N 3.3Å; N175-K177 PolarHBondContact O-N 3.17Å; N175-K177 WeakPolarHBondContact OD1-CB 3.33Å; N175-K177 PolarHBondContact OD1-N 3.12Å; N175-K177 VanDerWaalsContact OD1-N 3.07Å; N175-V178 HydrophobicContact CB-CB 4.29Å; N175-V178 HydrophobicContact CB-CG2 3.97Å; N175-V178 PolarHBondContact O-N 3.18Å; N175-V178 VanDerWaalsContact O-N 3.15Å; N175-V178 PolarHBondContact OD1-N 2.86Å; N175-Y179 PolarHBondContact O-N 2.84Å
176K93.5Very high92.7Very high70 Ų7056.4 Ų56.430%0.30425%0.253SS..Hα-helixtrans-49.2-44.8177.6-64177.1-173.2172.40113.7D174 V178 Y179 Q180 I233 E235 F238D174-K176 PolarHBondContact O-N 3.43Å; K176-V178 PolarHBondContact O-N 2.72Å; K176-Y179 PolarHBondContact O-N 2.91Å; K176-Q180 VanDerWaalsContact O-CG 3.31Å; K176-Q180 WeakPolarHBondContact O-CG 3.48Å; K176-Q180 PolarHBondContact O-N 3.5Å; K176-I233 HydrophobicContact CG-CD1 3.81Å; K176-I233 HydrophobicContact CG-CG2 4.28Å; K176-E235 VanDerWaalsContact CE-OE1 3.26Å; K176-E235 WeakPolarHBondContact CE-OE1 3.48Å; K176-E235 IonicContact NZ-OE1 3.23Å; K176-E235 PolarHBondContact NZ-OE1 2.97Å; K176-E235 IonicContact NZ-OE2 2.63Å; K176-E235 PolarHBondContact NZ-OE2 3.5Å; K176-F238 HydrophobicContact CB-CD2 3.75Å; K176-F238 HydrophobicContact CB-CE2 3.86Å; K176-F238 HydrophobicContact CD-CB 4.46Å; K176-F238 HydrophobicContact CD-CD2 4.23Å; K176-F238 HydrophobicContact CG-CD2 3.74Å; K176-F238 HydrophobicContact CG-CE2 4.15Å; K176-F238 HydrophobicContact CG-CG 4.3Å; K176-F238 WeakPolarHBondContact O-CE2 3.33Å
177K93.7Very high92.6Very high141 Ų14152.8 Ų52.861%0.61323%0.234SC*.Hα-helixtrans-68.4-35.8-176.2-68.2-171.1178.8-177.30112.4I145 N175 Q180 E181I145-K177 HydrophobicContact CD1-CB 4.11Å; N175-K177 VanDerWaalsContact C-N 3.3Å; N175-K177 PolarHBondContact O-N 3.17Å; N175-K177 WeakPolarHBondContact OD1-CB 3.33Å; N175-K177 PolarHBondContact OD1-N 3.12Å; N175-K177 VanDerWaalsContact OD1-N 3.07Å; K177-Q180 PolarHBondContact O-N 3.28Å; K177-E181 WeakPolarHBondContact O-CB 3.17Å; K177-E181 VanDerWaalsContact O-CG 3.25Å; K177-E181 WeakPolarHBondContact O-CG 3.22Å; K177-E181 PolarHBondContact O-N 3.37Å
178V93.6Very high92.4Very high0 Ų051.5 Ų51.50%023%0.234CC..Hα-helixtrans-64.6-44.3176.5178.30000109.9P141 I145 F165 A168 L169 N175 K176 Y182P141-V178 HydrophobicContact CB-CG2 3.76Å; I145-V178 HydrophobicContact CD1-CG2 4.24Å; I145-V178 HydrophobicContact CG1-CG2 4.35Å; F165-V178 HydrophobicContact CD1-CG1 4.16Å; A168-V178 HydrophobicContact CB-CG1 3.9Å; L169-V178 HydrophobicContact CD2-CB 4.22Å; L169-V178 HydrophobicContact CD2-CG1 3.63Å; L169-V178 HydrophobicContact CG-CG1 4Å; N175-V178 HydrophobicContact CB-CB 4.29Å; N175-V178 HydrophobicContact CB-CG2 3.97Å; N175-V178 PolarHBondContact O-N 3.18Å; N175-V178 VanDerWaalsContact O-N 3.15Å; N175-V178 PolarHBondContact OD1-N 2.86Å; K176-V178 PolarHBondContact O-N 2.72Å; V178-Y182 WeakPolarHBondContact O-CB 3.4Å; V178-Y182 PolarHBondContact O-N 3.01Å
179Y94.6Very high92.1Very high1 Ų152.9 Ų52.90%0.00424%0.241CC..Hα-helixtrans-63.7-45.4174.9-82.9-69.7000113.3L169 P173 N175 K176 E181 Y182 F183 V225 D228 A229 K232 I233 F238L169-Y179 HydrophobicContact CD1-CD1 4.19Å; L169-Y179 HydrophobicContact CD1-CE1 3.64Å; L169-Y179 HydrophobicContact CD2-CD1 4.07Å; L169-Y179 HydrophobicContact CD2-CD2 3.8Å; L169-Y179 HydrophobicContact CD2-CE1 3.79Å; L169-Y179 HydrophobicContact CD2-CE2 3.49Å; L169-Y179 VanDerWaalsContact CD2-CE2 3.49Å; L169-Y179 HydrophobicContact CD2-CG 4.07Å; L169-Y179 VanDerWaalsContact CD2-CZ 3.47Å; L169-Y179 HydrophobicContact CG-CE1 4.38Å; P173-Y179 VanDerWaalsContact O-CE2 3.3Å; P173-Y179 WeakPolarHBondContact O-CE2 3.45Å; N175-Y179 PolarHBondContact O-N 2.84Å; K176-Y179 PolarHBondContact O-N 2.91Å; Y179-E181 VanDerWaalsContact C-N 3.33Å; Y179-E181 PolarHBondContact O-N 3.49Å; Y179-Y182 PolarHBondContact O-N 3.34Å; Y179-F183 VanDerWaalsContact O-CB 3.23Å; Y179-F183 WeakPolarHBondContact O-CB 3.48Å; Y179-F183 PolarHBondContact O-N 3.34Å; Y179-V225 HydrophobicContact CD1-CG1 4.18Å; Y179-D228 WeakPolarHBondContact CE1-OD2 3.44Å; Y179-D228 PolarHBondContact OH-OD2 3.44Å; Y179-A229 HydrophobicContact CD1-CB 3.46Å; Y179-A229 VanDerWaalsContact CD1-CB 3.46Å; Y179-A229 HydrophobicContact CD2-CB 4.38Å; Y179-A229 HydrophobicContact CE1-CB 3.8Å; Y179-A229 HydrophobicContact CG-CB 3.79Å; Y179-K232 WeakPolarHBondContact OH-CD 3.4Å; Y179-K232 PolarHBondContact OH-NZ 3.38Å; Y179-I233 HydrophobicContact CD2-CD1 4Å; Y179-I233 HydrophobicContact CE2-CD1 4.4Å; Y179-F238 HydrophobicContact CG-CZ 4.32Å
180Q94.2Very high91.8Very high50 Ų5052.3 Ų52.323%0.23424%0.238CC..Hα-helixtrans-56.3-47.6176.8-76.9167.5-11.800111.8K176 K177 R184 F238 S241 L242 I245K176-Q180 VanDerWaalsContact O-CG 3.31Å; K176-Q180 WeakPolarHBondContact O-CG 3.48Å; K176-Q180 PolarHBondContact O-N 3.5Å; K177-Q180 PolarHBondContact O-N 3.28Å; Q180-R184 VanDerWaalsContact O-CB 3.28Å; Q180-R184 WeakPolarHBondContact O-CB 3.34Å; Q180-R184 PolarHBondContact O-N 2.86Å; Q180-F238 HydrophobicContact CG-CE2 4.04Å; Q180-S241 PolarHBondContact NE2-OG 3.47Å; Q180-L242 HydrophobicContact CG-CD2 4.16Å; Q180-I245 HydrophobicContact CB-CD1 3.87Å; Q180-I245 HydrophobicContact CG-CD1 4.09Å
181E93.6Very high91.6Very high48 Ų4845 Ų4522%0.22421%0.212CC..Hα-helixtrans-73.5-33.4-178.3-66.4-72.4-175.800112.1I145 K149 F165 K177 Y179 M185I145-E181 HydrophobicContact CD1-CG 4.18Å; I145-E181 HydrophobicContact CG1-CB 4.3Å; I145-E181 HydrophobicContact CG1-CG 4.34Å; I145-E181 HydrophobicContact CG2-CB 4.03Å; I145-E181 HydrophobicContact CG2-CG 3.75Å; K149-E181 VanDerWaalsContact CE-CD 3.44Å; K149-E181 WeakPolarHBondContact CE-OE2 3.32Å; K149-E181 IonicContact NZ-OE1 3.88Å; K149-E181 PolarHBondContact NZ-OE1 2.71Å; K149-E181 IonicContact NZ-OE2 3.39Å; K149-E181 PolarHBondContact NZ-OE2 2.99Å; F165-E181 HydrophobicContact CE1-CB 3.88Å; F165-E181 HydrophobicContact CZ-CB 3.98Å; K177-E181 WeakPolarHBondContact O-CB 3.17Å; K177-E181 VanDerWaalsContact O-CG 3.25Å; K177-E181 WeakPolarHBondContact O-CG 3.22Å; K177-E181 PolarHBondContact O-N 3.37Å; Y179-E181 VanDerWaalsContact C-N 3.33Å; Y179-E181 PolarHBondContact O-N 3.49Å; E181-M185 VanDerWaalsContact O-CB 3.31Å; E181-M185 WeakPolarHBondContact O-CB 2.98Å; E181-M185 PolarHBondContact O-N 3.12Å
182Y94.2Very high91.3Very high17 Ų1744.2 Ų44.27%0.06721%0.209CC..Hα-helixtrans-66.3-48.3173.8-178.4-147.7000111.4R162 F165 L166 L169 V178 Y179 R184 M185 E186 V225R162-Y182 HydrophobicContact CB-CE2 4.49Å; R162-Y182 HydrophobicContact CG-CE2 3.94Å; F165-Y182 HydrophobicContact CB-CD1 4.31Å; F165-Y182 HydrophobicContact CB-CD2 3.43Å; F165-Y182 VanDerWaalsContact CB-CD2 3.43Å; F165-Y182 HydrophobicContact CB-CE2 3.98Å; F165-Y182 HydrophobicContact CB-CG 3.65Å; F165-Y182 HydrophobicContact CD1-CG 4.4Å; F165-Y182 AromaticContact CD2-CD2 3.64Å; F165-Y182 HydrophobicContact CD2-CD2 3.64Å; F165-Y182 HydrophobicContact CD2-CE2 4.49Å; F165-Y182 HydrophobicContact CD2-CG 4.28Å; F165-Y182 AromaticContact CG-CD2 3.65Å; F165-Y182 HydrophobicContact CG-CD2 3.65Å; F165-Y182 AromaticContact CG-CG 3.9Å; F165-Y182 HydrophobicContact CG-CG 3.9Å; L166-Y182 HydrophobicContact CD2-CE1 4.09Å; L169-Y182 HydrophobicContact CD1-CD1 3.89Å; L169-Y182 HydrophobicContact CD1-CE1 4.16Å; V178-Y182 WeakPolarHBondContact O-CB 3.4Å; V178-Y182 PolarHBondContact O-N 3.01Å; Y179-Y182 PolarHBondContact O-N 3.34Å; Y182-R184 VanDerWaalsContact C-N 3.35Å; Y182-R184 PolarHBondContact O-N 3.12Å; Y182-M185 HydrophobicContact CD2-CE 3.77Å; Y182-M185 HydrophobicContact CE2-CE 3.78Å; Y182-M185 WeakPolarHBondContact O-CB 3.43Å; Y182-M185 PolarHBondContact O-N 2.83Å; Y182-M185 VanDerWaalsContact O-N 3.16Å; Y182-E186 HydrophobicContact CD2-CG 4.28Å; Y182-E186 HydrophobicContact CE2-CG 3.92Å; Y182-E186 VanDerWaalsContact CE2-OE1 3.23Å; Y182-E186 WeakPolarHBondContact CE2-OE1 3.48Å; Y182-E186 PolarHBondContact O-N 2.96Å; Y182-V225 HydrophobicContact CD1-CB 4.23Å; Y182-V225 HydrophobicContact CD1-CG1 3.48Å; Y182-V225 VanDerWaalsContact CD1-CG1 3.48Å; Y182-V225 HydrophobicContact CD1-CG2 3.62Å; Y182-V225 HydrophobicContact CE1-CB 4.18Å; Y182-V225 HydrophobicContact CE1-CG1 3.91Å; Y182-V225 HydrophobicContact CE1-CG2 3.18Å; Y182-V225 HydrophobicContact CE2-CG2 4.27Å; Y182-V225 HydrophobicContact CG-CG1 4.18Å; Y182-V225 HydrophobicContact CG-CG2 4.32Å
183F93.9Very high91Very high0 Ų043.8 Ų43.80%021%0.208CC..Hα-helixtrans-58.1-46.2175-179.3-101.2000111.5Y179 M185 E186 L187 A222 V225 L242 I245 A246 L255 I259Y179-F183 VanDerWaalsContact O-CB 3.23Å; Y179-F183 WeakPolarHBondContact O-CB 3.48Å; Y179-F183 PolarHBondContact O-N 3.34Å; F183-M185 VanDerWaalsContact C-N 3.33Å; F183-M185 PolarHBondContact O-N 3Å; F183-E186 PolarHBondContact O-N 3.47Å; F183-L187 HydrophobicContact CD1-CD1 4.02Å; F183-L187 HydrophobicContact CE1-CD1 3.48Å; F183-L187 VanDerWaalsContact CE1-CD1 3.48Å; F183-L187 HydrophobicContact CE1-CG 4.41Å; F183-L187 HydrophobicContact CZ-CD1 3.83Å; F183-L187 PolarHBondContact O-N 3Å; F183-L187 VanDerWaalsContact O-N 3.16Å; F183-A222 HydrophobicContact CD2-CB 3.89Å; F183-A222 VanDerWaalsContact CD2-O 3.31Å; F183-A222 WeakPolarHBondContact CD2-O 3.44Å; F183-A222 HydrophobicContact CE2-CB 3.69Å; F183-A222 VanDerWaalsContact CE2-O 3.27Å; F183-A222 WeakPolarHBondContact CE2-O 3.4Å; F183-A222 HydrophobicContact CZ-CB 4.43Å; F183-V225 HydrophobicContact CB-CG1 4.1Å; F183-V225 HydrophobicContact CD2-CB 4.46Å; F183-L242 HydrophobicContact CB-CD2 4.06Å; F183-L242 HydrophobicContact CD1-CB 4.49Å; F183-L242 HydrophobicContact CD1-CD2 4Å; F183-L242 HydrophobicContact CE1-CB 4.38Å; F183-L242 WeakPolarHBondContact CE1-O 3.41Å; F183-L242 HydrophobicContact CG-CD2 4.06Å; F183-I245 HydrophobicContact CD1-CB 4.17Å; F183-I245 HydrophobicContact CD1-CG2 3.81Å; F183-I245 HydrophobicContact CE1-CB 4.23Å; F183-I245 HydrophobicContact CE1-CG2 4.07Å; F183-A246 HydrophobicContact CE1-CB 4.18Å; F183-A246 HydrophobicContact CZ-CB 4.23Å; F183-L255 HydrophobicContact CE2-CD2 4.06Å; F183-L255 HydrophobicContact CZ-CD2 3.82Å; F183-I259 HydrophobicContact CZ-CD1 4.41Å
184R93.7Very high90.8Very high106 Ų10645.4 Ų45.440%0.421%0.206SC..Hα-helixtrans-60.4-40.6175.1-171.9177.8-173.8129.25.4112.5Q180 Y182 L187 L188 I245Q180-R184 VanDerWaalsContact O-CB 3.28Å; Q180-R184 WeakPolarHBondContact O-CB 3.34Å; Q180-R184 PolarHBondContact O-N 2.86Å; Y182-R184 VanDerWaalsContact C-N 3.35Å; Y182-R184 PolarHBondContact O-N 3.12Å; R184-L187 PolarHBondContact O-N 3.47Å; R184-L188 WeakPolarHBondContact O-CB 3.16Å; R184-L188 PolarHBondContact O-N 3Å; R184-I245 HydrophobicContact CB-CG2 3.82Å; R184-I245 HydrophobicContact CG-CG2 4.02Å
185M92.8Very high90.6Very high9 Ų945.1 Ų45.14%0.04420%0.2CC..Hα-helixtrans-64.1-44.2179-176.8-80.5-60.300111.5L152 A161 R162 F165 E181 Y182 F183 L187 L188 H189L152-M185 HydrophobicContact CD1-CG 4.4Å; L152-M185 HydrophobicContact CD1-SD 4.47Å; L152-M185 HydrophobicContact CD2-CG 3.93Å; A161-M185 HydrophobicContact CB-CE 4.33Å; A161-M185 HydrophobicContact CB-CG 4.29Å; A161-M185 HydrophobicContact CB-SD 4.17Å; R162-M185 HydrophobicContact CB-CE 4.02Å; F165-M185 HydrophobicContact CD2-CB 4.48Å; F165-M185 HydrophobicContact CD2-CE 3.87Å; F165-M185 HydrophobicContact CE2-CB 3.77Å; F165-M185 HydrophobicContact CE2-CE 4.21Å; F165-M185 HydrophobicContact CE2-CG 3.96Å; F165-M185 HydrophobicContact CZ-CB 4.48Å; E181-M185 VanDerWaalsContact O-CB 3.31Å; E181-M185 WeakPolarHBondContact O-CB 2.98Å; E181-M185 PolarHBondContact O-N 3.12Å; Y182-M185 HydrophobicContact CD2-CE 3.77Å; Y182-M185 HydrophobicContact CE2-CE 3.78Å; Y182-M185 WeakPolarHBondContact O-CB 3.43Å; Y182-M185 PolarHBondContact O-N 2.83Å; Y182-M185 VanDerWaalsContact O-N 3.16Å; F183-M185 VanDerWaalsContact C-N 3.33Å; F183-M185 PolarHBondContact O-N 3Å; M185-L187 PolarHBondContact O-N 3.32Å; M185-L188 PolarHBondContact O-N 3Å; M185-H189 PolarHBondContact O-N 3.19Å
186E91Very high90.2Very high0 Ų046.3 Ų46.30%020%0.204CC..Hα-helixtrans-60.7-45.6176.9-68.3-58.5153.800111.3R162 Y182 F183 L188 H189 C190 L221 A222 V225R162-E186 IonicContact CZ-OE1 2.8Å; R162-E186 IonicContact CZ-OE2 2.74Å; R162-E186 IonicContact NE-OE1 3.44Å; R162-E186 PolarHBondContact NE-OE1 3.04Å; R162-E186 IonicContact NE-OE2 2.66Å; R162-E186 PolarHBondContact NE-OE2 3.45Å; R162-E186 IonicContact NH2-OE1 3.56Å; R162-E186 PolarHBondContact NH2-OE1 3.23Å; R162-E186 IonicContact NH2-OE2 3.46Å; R162-E186 PolarHBondContact NH2-OE2 2.78Å; Y182-E186 HydrophobicContact CD2-CG 4.28Å; Y182-E186 HydrophobicContact CE2-CG 3.92Å; Y182-E186 VanDerWaalsContact CE2-OE1 3.23Å; Y182-E186 WeakPolarHBondContact CE2-OE1 3.48Å; Y182-E186 PolarHBondContact O-N 2.96Å; F183-E186 PolarHBondContact O-N 3.47Å; E186-L188 PolarHBondContact O-N 2.85Å; E186-H189 WeakPolarHBondContact O-CB 3.5Å; E186-H189 PolarHBondContact O-N 2.84Å; E186-C190 PolarHBondContact O-N 2.52Å; E186-C190 PolarHBondContact O-SG 3.39Å; E186-L221 HydrophobicContact CG-CB 4.44Å; E186-A222 HydrophobicContact CB-CB 4.08Å; E186-V225 HydrophobicContact CG-CG2 4.24Å
187L91Very high89.7Confident0 Ų046.4 Ų46.40%020%0.204CC..Hα-helixtrans-63.1-40.5176.5-67.3179.9000112.9F183 R184 M185 H189 C190 E191 A222 I245 A246 F249 F251 T252 L255F183-L187 HydrophobicContact CD1-CD1 4.02Å; F183-L187 HydrophobicContact CE1-CD1 3.48Å; F183-L187 VanDerWaalsContact CE1-CD1 3.48Å; F183-L187 HydrophobicContact CE1-CG 4.41Å; F183-L187 HydrophobicContact CZ-CD1 3.83Å; F183-L187 PolarHBondContact O-N 3Å; F183-L187 VanDerWaalsContact O-N 3.16Å; R184-L187 PolarHBondContact O-N 3.47Å; M185-L187 PolarHBondContact O-N 3.32Å; L187-H189 VanDerWaalsContact C-N 3.29Å; L187-H189 PolarHBondContact O-N 3.17Å; L187-C190 WeakPolarHBondContact O-CB 2.91Å; L187-C190 PolarHBondContact O-N 3.07Å; L187-E191 PolarHBondContact O-N 3.21Å; L187-A222 HydrophobicContact CD2-CB 3.51Å; L187-A222 HydrophobicContact CG-CB 3.85Å; L187-I245 HydrophobicContact CD1-CG2 4.32Å; L187-A246 HydrophobicContact CD1-CB 4.37Å; L187-F249 HydrophobicContact CB-CD1 4.37Å; L187-F249 HydrophobicContact CB-CD2 3.82Å; L187-F249 HydrophobicContact CB-CE1 4.13Å; L187-F249 HydrophobicContact CB-CE2 3.55Å; L187-F249 HydrophobicContact CB-CG 4.22Å; L187-F249 HydrophobicContact CB-CZ 3.71Å; L187-F249 HydrophobicContact CD1-CD2 3.68Å; L187-F249 HydrophobicContact CD1-CE2 3.79Å; L187-F249 HydrophobicContact CG-CD2 4.36Å; L187-F249 HydrophobicContact CG-CE2 4.34Å; L187-F251 HydrophobicContact CD2-CE2 4.31Å; L187-F251 HydrophobicContact CD2-CZ 4.34Å; L187-T252 HydrophobicContact CD1-CG2 4.35Å; L187-T252 HydrophobicContact CD2-CG2 3.7Å; L187-L255 HydrophobicContact CD2-CD2 4.25Å
188L89.4Confident89.2Confident74 Ų7443.9 Ų43.939%0.38720%0.195SC..Hα-helixtrans-64.3-35.6175.7-177.360.4000111.8L152 R184 M185 E186 K192 F249L152-L188 HydrophobicContact CD2-CD2 3.57Å; L152-L188 HydrophobicContact CD2-CG 4.32Å; R184-L188 WeakPolarHBondContact O-CB 3.16Å; R184-L188 PolarHBondContact O-N 3Å; M185-L188 PolarHBondContact O-N 3Å; E186-L188 PolarHBondContact O-N 2.85Å; L188-K192 WeakPolarHBondContact O-CB 3.45Å; L188-K192 PolarHBondContact O-N 3.38Å; L188-F249 HydrophobicContact CB-CZ 4.47Å
189H86.4Confident88.8Confident30 Ų3050.1 Ų50.114%0.13922%0.224CC..Hα-helixtrans-65-43.7173.6176.839.9000111.8S158 M185 E186 L187 K192 L193S158-H189 PolarHBondContact OG-CE1 3.46Å; S158-H189 VanDerWaalsContact OG-CG 3.28Å; S158-H189 PolarHBondContact OG-ND1 3.08Å; M185-H189 PolarHBondContact O-N 3.19Å; E186-H189 WeakPolarHBondContact O-CB 3.5Å; E186-H189 PolarHBondContact O-N 2.84Å; L187-H189 VanDerWaalsContact C-N 3.29Å; L187-H189 PolarHBondContact O-N 3.17Å; H189-K192 PolarHBondContact O-N 3.42Å; H189-L193 WeakPolarHBondContact CE1-CD1 3.49Å; H189-L193 WeakPolarHBondContact O-CG 3.49Å; H189-L193 PolarHBondContact O-N 2.87Å
190C86.4Confident88.2Confident1 Ų151.2 Ų51.21%0.00723%0.231CC..Hα-helixtrans-59.7-47.7174.7-58.10000111.3E186 L187 K192 L193 R194 I216 F251E186-C190 PolarHBondContact O-N 2.52Å; E186-C190 PolarHBondContact O-SG 3.39Å; L187-C190 WeakPolarHBondContact O-CB 2.91Å; L187-C190 PolarHBondContact O-N 3.07Å; C190-K192 VanDerWaalsContact C-N 3.28Å; C190-K192 PolarHBondContact O-N 3.35Å; C190-L193 PolarHBondContact O-N 3.48Å; C190-R194 VanDerWaalsContact O-CG 3.31Å; C190-R194 WeakPolarHBondContact O-CG 3.2Å; C190-R194 PolarHBondContact O-N 3.39Å; C190-I216 PolarHBondContact SG-O 2.76Å; C190-F251 HydrophobicContact CB-CE2 3.87Å; C190-F251 HydrophobicContact CB-CZ 3.63Å
191E87.7Confident87.5Confident58 Ų5854.4 Ų54.427%0.27125%0.246SC..Hα-helixtrans-57.7-43.3177.8-165.5-163.6168.700111.5L187 R194 K195 F249 F251L187-E191 PolarHBondContact O-N 3.21Å; E191-R194 PolarHBondContact O-N 3.39Å; E191-K195 PolarHBondContact O-N 3.2Å; E191-K195 WeakPolarHBondContact OE1-CE 3.23Å; E191-K195 IonicContact OE1-NZ 3.52Å; E191-K195 PolarHBondContact OE1-NZ 3.34Å; E191-F249 HydrophobicContact CB-CD1 4.19Å; E191-F249 HydrophobicContact CB-CE1 4.29Å; E191-F249 HydrophobicContact CG-CD1 4.41Å; E191-F249 WeakPolarHBondContact OE2-CE1 3.24Å; E191-F251 HydrophobicContact CB-CE1 3.99Å; E191-F251 HydrophobicContact CG-CE1 4.4Å
192K85.4Confident86.9Confident80 Ų8060.3 Ų60.335%0.34827%0.271SS..Hα-helixtrans-63.2-45.3177.9-174.9170.4-170.4152.60112.5N156 L188 H189 C190 R194 K195 Q196N156-K192 PolarHBondContact ND2-NZ 3.11Å; N156-K192 WeakPolarHBondContact OD1-CE 3.43Å; N156-K192 PolarHBondContact OD1-NZ 3.19Å; L188-K192 WeakPolarHBondContact O-CB 3.45Å; L188-K192 PolarHBondContact O-N 3.38Å; H189-K192 PolarHBondContact O-N 3.42Å; C190-K192 VanDerWaalsContact C-N 3.28Å; C190-K192 PolarHBondContact O-N 3.35Å; K192-R194 VanDerWaalsContact C-N 3.31Å; K192-R194 PolarHBondContact O-N 3.18Å; K192-K195 PolarHBondContact O-N 2.91Å; K192-Q196 WeakPolarHBondContact O-CG 3.34Å; K192-Q196 PolarHBondContact O-N 3.13Å
193L84.1Confident86.2Confident21 Ų2162.1 Ų62.111%0.1129%0.289CS..Hα-helixtrans-63.9-37.4177.4-74.3173.5000111.9H189 C190 Q196 K197 F212 I216 L217H189-L193 WeakPolarHBondContact CE1-CD1 3.49Å; H189-L193 WeakPolarHBondContact O-CG 3.49Å; H189-L193 PolarHBondContact O-N 2.87Å; C190-L193 PolarHBondContact O-N 3.48Å; L193-Q196 PolarHBondContact O-N 2.95Å; L193-K197 WeakPolarHBondContact O-CB 3.5Å; L193-K197 PolarHBondContact O-N 3.5Å; L193-F212 HydrophobicContact CD2-CE1 4.49Å; L193-I216 HydrophobicContact CD1-CG2 3.44Å; L193-I216 VanDerWaalsContact CD1-CG2 3.44Å; L193-L217 HydrophobicContact CB-CD2 3.8Å
194R84.7Confident85Confident88 Ų8869.6 Ų69.633%0.33233%0.329SS..Hα-helixtrans-62.6-46.4174.5-69.8172.368117.20.3112C190 E191 K192 Q196 K197 E198 L217C190-R194 VanDerWaalsContact O-CG 3.31Å; C190-R194 WeakPolarHBondContact O-CG 3.2Å; C190-R194 PolarHBondContact O-N 3.39Å; E191-R194 PolarHBondContact O-N 3.39Å; K192-R194 VanDerWaalsContact C-N 3.31Å; K192-R194 PolarHBondContact O-N 3.18Å; R194-Q196 VanDerWaalsContact C-N 3.31Å; R194-Q196 PolarHBondContact O-N 3.38Å; R194-K197 WeakPolarHBondContact O-CB 3.15Å; R194-K197 PolarHBondContact O-N 3.21Å; R194-E198 WeakPolarHBondContact O-CG 3.37Å; R194-E198 PolarHBondContact O-N 3.24Å; R194-L217 HydrophobicContact CG-CB 4.35Å; R194-L217 HydrophobicContact CG-CD2 3.7Å
195K86.4Confident83.7Confident106 Ų10670 Ų7046%0.46134%0.337SS..Hα-helixtrans-59.6-42.5175.5-75.9173.4171.5164.20111.8E191 K192 E198 E199E191-K195 PolarHBondContact O-N 3.2Å; E191-K195 WeakPolarHBondContact OE1-CE 3.23Å; E191-K195 IonicContact OE1-NZ 3.52Å; E191-K195 PolarHBondContact OE1-NZ 3.34Å; K192-K195 PolarHBondContact O-N 2.91Å; K195-E198 PolarHBondContact O-N 3.29Å; K195-E199 WeakPolarHBondContact O-CG 3.41Å; K195-E199 PolarHBondContact O-N 2.71Å
196Q83.8Confident82.2Confident73 Ų7377.1 Ų77.134%0.34138%0.375SS..Hα-helixtrans-62.2-42.7175.1-73177.5-23.700112.2K192 L193 R194 E199 V200 F212K192-Q196 WeakPolarHBondContact O-CG 3.34Å; K192-Q196 PolarHBondContact O-N 3.13Å; L193-Q196 PolarHBondContact O-N 2.95Å; R194-Q196 VanDerWaalsContact C-N 3.31Å; R194-Q196 PolarHBondContact O-N 3.38Å; Q196-E199 PolarHBondContact O-N 2.99Å; Q196-V200 VanDerWaalsContact O-CG2 3.29Å; Q196-V200 WeakPolarHBondContact O-CG2 3.35Å; Q196-V200 PolarHBondContact O-N 3.22Å; Q196-F212 HydrophobicContact CB-CE1 4.45Å
197K83.2Confident80.7Confident71 Ų7180.7 Ų80.731%0.30939%0.394SS..Hα-helixtrans-60-48.9175.3179.1176.6173173.90111.6L193 R194 E199 V200 E201 F212 L217L193-K197 WeakPolarHBondContact O-CB 3.5Å; L193-K197 PolarHBondContact O-N 3.5Å; R194-K197 WeakPolarHBondContact O-CB 3.15Å; R194-K197 PolarHBondContact O-N 3.21Å; K197-E199 VanDerWaalsContact C-N 3.3Å; K197-E199 PolarHBondContact O-N 3.37Å; K197-V200 PolarHBondContact O-N 3.24Å; K197-E201 WeakPolarHBondContact CE-OE1 3.44Å; K197-E201 HydrophobicContact CG-CG 4.44Å; K197-E201 IonicContact NZ-OE1 3.87Å; K197-E201 WeakPolarHBondContact O-CB 3.45Å; K197-E201 WeakPolarHBondContact O-CG 3.4Å; K197-E201 PolarHBondContact O-N 3.38Å; K197-F212 HydrophobicContact CB-CD1 4.35Å; K197-F212 HydrophobicContact CB-CD2 3.84Å; K197-F212 HydrophobicContact CB-CE1 4.29Å; K197-F212 HydrophobicContact CB-CE2 3.78Å; K197-F212 HydrophobicContact CB-CG 4.13Å; K197-F212 HydrophobicContact CB-CZ 4.01Å; K197-F212 HydrophobicContact CD-CB 4.21Å; K197-F212 HydrophobicContact CD-CD2 4.01Å; K197-F212 HydrophobicContact CD-CG 4.23Å; K197-F212 HydrophobicContact CG-CD2 3.76Å; K197-F212 HydrophobicContact CG-CE2 3.97Å; K197-F212 HydrophobicContact CG-CG 4.32Å; K197-L217 HydrophobicContact CD-CD1 3.85Å
198E84.2Confident79.6Confident89 Ų8983.5 Ų83.542%0.41642%0.423SS..Hα-helixtrans-60.8-37.6177.9-71.3173.9-160.900112.7R194 K195 K202R194-E198 WeakPolarHBondContact O-CG 3.37Å; R194-E198 PolarHBondContact O-N 3.24Å; K195-E198 PolarHBondContact O-N 3.29Å; E198-K202 WeakPolarHBondContact O-CB 3.45Å; E198-K202 WeakPolarHBondContact O-CD 3.18Å; E198-K202 VanDerWaalsContact O-CG 3.22Å; E198-K202 WeakPolarHBondContact O-CG 3.33Å; E198-K202 PolarHBondContact O-N 3.36Å
199E84.8Confident78Confident131 Ų13189.6 Ų89.661%0.61245%0.449SS*.Hα-helixtrans-66.6-42.1176.3-76.5172.7-176.700112K195 Q196 K197 K202 A203K195-E199 WeakPolarHBondContact O-CG 3.41Å; K195-E199 PolarHBondContact O-N 2.71Å; Q196-E199 PolarHBondContact O-N 2.99Å; K197-E199 VanDerWaalsContact C-N 3.3Å; K197-E199 PolarHBondContact O-N 3.37Å; E199-K202 PolarHBondContact O-N 3.44Å; E199-A203 WeakPolarHBondContact O-CB 3.42Å; E199-A203 PolarHBondContact O-N 3.08Å
200V81.4Confident76.8Confident23 Ų2395.1 Ų95.114%0.13947%0.47CS..Hα-helixtrans-68.9-42.2178.7176.80000111.5Q196 K197 K202 A203 D204 M205 L207Q196-V200 VanDerWaalsContact O-CG2 3.29Å; Q196-V200 WeakPolarHBondContact O-CG2 3.35Å; Q196-V200 PolarHBondContact O-N 3.22Å; K197-V200 PolarHBondContact O-N 3.24Å; V200-K202 VanDerWaalsContact C-N 3.32Å; V200-K202 PolarHBondContact O-N 3.14Å; V200-A203 PolarHBondContact O-N 2.94Å; V200-A203 VanDerWaalsContact O-N 3.14Å; V200-D204 PolarHBondContact O-N 3.33Å; V200-M205 HydrophobicContact CB-CE 4.43Å; V200-M205 HydrophobicContact CG1-CB 4.29Å; V200-M205 HydrophobicContact CG1-CE 4.11Å; V200-M205 HydrophobicContact CG2-CE 4.01Å; V200-L207 HydrophobicContact CB-CD1 4.27Å; V200-L207 HydrophobicContact CG1-CD1 3.43Å; V200-L207 VanDerWaalsContact CG1-CD1 3.43Å; V200-L207 HydrophobicContact CG1-CD2 3.83Å; V200-L207 HydrophobicContact CG1-CG 3.49Å; V200-L207 VanDerWaalsContact CG1-CG 3.49Å; V200-L207 HydrophobicContact CG2-CD2 4.48Å
201E80.7Confident75.6Confident118 Ų118103.6 Ų103.655%0.55151%0.509SS*.Hα-helixtrans-60.9-40.1175-73.4174.3175.800111.8K197 A203 D204K197-E201 WeakPolarHBondContact CE-OE1 3.44Å; K197-E201 HydrophobicContact CG-CG 4.44Å; K197-E201 IonicContact NZ-OE1 3.87Å; K197-E201 WeakPolarHBondContact O-CB 3.45Å; K197-E201 WeakPolarHBondContact O-CG 3.4Å; K197-E201 PolarHBondContact O-N 3.38Å; E201-A203 VanDerWaalsContact C-N 3.3Å; E201-A203 PolarHBondContact O-N 3.3Å; E201-D204 PolarHBondContact O-N 2.87Å
202K80.2Confident74.7Confident172 Ų172102.5 Ų102.575%0.74850%0.504SS*.Hα-helixtrans-69-27.7175.3-76.1170.9-174.3167.30113.6E198 E199 V200 D204E198-K202 WeakPolarHBondContact O-CB 3.45Å; E198-K202 WeakPolarHBondContact O-CD 3.18Å; E198-K202 VanDerWaalsContact O-CG 3.22Å; E198-K202 WeakPolarHBondContact O-CG 3.33Å; E198-K202 PolarHBondContact O-N 3.36Å; E199-K202 PolarHBondContact O-N 3.44Å; V200-K202 VanDerWaalsContact C-N 3.32Å; V200-K202 PolarHBondContact O-N 3.14Å; K202-D204 VanDerWaalsContact C-N 3.29Å
203A78.9Confident74.1Confident55 Ų55100.7 Ų100.746%0.45550%0.501SS..THydrogen-bonded Turntrans-85.3-1.8-17800000113.3E199 V200 E201 M205E199-A203 WeakPolarHBondContact O-CB 3.42Å; E199-A203 PolarHBondContact O-N 3.08Å; V200-A203 PolarHBondContact O-N 2.94Å; V200-A203 VanDerWaalsContact O-N 3.14Å; E201-A203 VanDerWaalsContact C-N 3.3Å; E201-A203 PolarHBondContact O-N 3.3Å; A203-M205 HydrophobicContact CB-CE 4.27Å; A203-M205 HydrophobicContact CB-CG 3.74Å; A203-M205 HydrophobicContact CB-SD 4.2Å; A203-M205 PolarHBondContact O-N 3.13Å; A203-M205 VanDerWaalsContact O-N 3.08Å
204D69.3Low73.4Confident157 Ų157103.7 Ų103.784%0.8452%0.522SS*.THydrogen-bonded Turntrans4934.4-178-143.417.6000112.2V200 E201 K202V200-D204 PolarHBondContact O-N 3.33Å; E201-D204 PolarHBondContact O-N 2.87Å; K202-D204 VanDerWaalsContact C-N 3.29Å
205M65.3Low72.8Confident115 Ų115103.6 Ų103.657%0.56753%0.525SS*.  trans-88.4129.4-179.1-63.9-170.1-47.300109.8V200 A203 L207V200-M205 HydrophobicContact CB-CE 4.43Å; V200-M205 HydrophobicContact CG1-CB 4.29Å; V200-M205 HydrophobicContact CG1-CE 4.11Å; V200-M205 HydrophobicContact CG2-CE 4.01Å; A203-M205 HydrophobicContact CB-CE 4.27Å; A203-M205 HydrophobicContact CB-CG 3.74Å; A203-M205 HydrophobicContact CB-SD 4.2Å; A203-M205 PolarHBondContact O-N 3.13Å; A203-M205 VanDerWaalsContact O-N 3.08Å; M205-L207 PolarHBondContact O-N 3.44Å
206D61.9Low72.2Confident158 Ų158101.4 Ų101.485%0.84552%0.518SS*.  trans-71113.6174.2-166.2-0.8000110.4G208D206-G208 VanDerWaalsContact C-N 3.27Å; D206-G208 PolarHBondContact O-N 3.49Å; D206-G208 PolarHBondContact OD1-N 2.94Å
207L60.6Low71.7Confident75 Ų7598.8 Ų98.839%0.39351%0.506SS..  trans-80.8-3.3-179.9-81.7163.4000113.3V200 M205 E209 Y210 F212V200-L207 HydrophobicContact CB-CD1 4.27Å; V200-L207 HydrophobicContact CG1-CD1 3.43Å; V200-L207 VanDerWaalsContact CG1-CD1 3.43Å; V200-L207 HydrophobicContact CG1-CD2 3.83Å; V200-L207 HydrophobicContact CG1-CG 3.49Å; V200-L207 VanDerWaalsContact CG1-CG 3.49Å; V200-L207 HydrophobicContact CG2-CD2 4.48Å; M205-L207 PolarHBondContact O-N 3.44Å; L207-E209 PolarHBondContact O-N 3.39Å; L207-Y210 HydrophobicContact CD2-CD1 4.43Å; L207-Y210 PolarHBondContact O-N 2.94Å; L207-F212 HydrophobicContact CD1-CD2 4.47Å; L207-F212 HydrophobicContact CD1-CE2 3.81Å
208G66.1Low71.3Confident59 Ų5997.9 Ų97.961%0.60851%0.509SS*.THydrogen-bonded Turntrans59.3-135.1-172.100000111.6D206 Y210D206-G208 VanDerWaalsContact C-N 3.27Å; D206-G208 PolarHBondContact O-N 3.49Å; D206-G208 PolarHBondContact OD1-N 2.94Å; G208-Y210 VanDerWaalsContact C-N 3.28Å; G208-Y210 PolarHBondContact O-N 2.94Å
209E57.1Low71.2Confident202 Ų20293.7 Ų93.794%0.94449%0.49SS*.THydrogen-bonded Turntrans-80.34.7-178.6-64.5-179.1170.800114.6L207 E211L207-E209 PolarHBondContact O-N 3.39Å; E209-E211 PolarHBondContact O-N 3.34Å
210Y59.8Low71.2Confident145 Ų14592.3 Ų92.357%0.56948%0.482SS*.  trans-84.9100.7-176.9-171.2-97.4000112L207 G208 F212L207-Y210 HydrophobicContact CD2-CD1 4.43Å; L207-Y210 PolarHBondContact O-N 2.94Å; G208-Y210 VanDerWaalsContact C-N 3.28Å; G208-Y210 PolarHBondContact O-N 2.94Å; Y210-F212 HydrophobicContact CE1-CD1 4.23Å; Y210-F212 HydrophobicContact CE1-CE1 4.07Å; Y210-F212 HydrophobicContact CE1-CZ 4.27Å
211E62.7Low71.3Confident180 Ų18094.2 Ų94.284%0.84149%0.491SS*.  trans-95.8130.4173.3-69.4-175.5173.100111.9E209 S213E209-E211 PolarHBondContact O-N 3.34Å; E211-S213 PolarHBondContact O-N 2.74Å
212F67.8Low71.8Confident34 Ų3488.6 Ų88.615%0.14946%0.464CS..  trans-70.1110.7169-65.6-87.4000109.6L193 Q196 K197 L207 Y210 L217L193-F212 HydrophobicContact CD2-CE1 4.49Å; Q196-F212 HydrophobicContact CB-CE1 4.45Å; K197-F212 HydrophobicContact CB-CD1 4.35Å; K197-F212 HydrophobicContact CB-CD2 3.84Å; K197-F212 HydrophobicContact CB-CE1 4.29Å; K197-F212 HydrophobicContact CB-CE2 3.78Å; K197-F212 HydrophobicContact CB-CG 4.13Å; K197-F212 HydrophobicContact CB-CZ 4.01Å; K197-F212 HydrophobicContact CD-CB 4.21Å; K197-F212 HydrophobicContact CD-CD2 4.01Å; K197-F212 HydrophobicContact CD-CG 4.23Å; K197-F212 HydrophobicContact CG-CD2 3.76Å; K197-F212 HydrophobicContact CG-CE2 3.97Å; K197-F212 HydrophobicContact CG-CG 4.32Å; L207-F212 HydrophobicContact CD1-CD2 4.47Å; L207-F212 HydrophobicContact CD1-CE2 3.81Å; Y210-F212 HydrophobicContact CE1-CD1 4.23Å; Y210-F212 HydrophobicContact CE1-CE1 4.07Å; Y210-F212 HydrophobicContact CE1-CZ 4.27Å; F212-L217 HydrophobicContact CB-CD1 3.83Å; F212-L217 HydrophobicContact CB-CG 4.4Å
213S73.6Confident72.2Confident42 Ų4283.1 Ų83.129%0.29444%0.442SS..  trans-56.1121.8179.21580000111.4E211 E215 I216 L217E211-S213 PolarHBondContact O-N 2.74Å; S213-E215 PolarHBondContact O-N 3.49Å; S213-E215 PolarHBondContact OG-N 3.19Å; S213-E215 PolarHBondContact OG-OE2 2.83Å; S213-I216 PolarHBondContact O-N 2.96Å; S213-I216 VanDerWaalsContact O-N 3.17Å; S213-L217 WeakPolarHBondContact O-CG 3.45Å; S213-L217 PolarHBondContact O-N 3.1Å
214P69.3Low72.7Confident85 Ų8585 Ų8555%0.55245%0.447SS*.Hα-helixtrans-63.8-28.7-178.425-33.1000112.3I216 L217 S218P214-I216 VanDerWaalsContact C-N 3.33Å; P214-I216 PolarHBondContact O-N 3.44Å; P214-L217 PolarHBondContact O-N 3.21Å; P214-S218 WeakPolarHBondContact O-CB 3.35Å; P214-S218 PolarHBondContact O-N 3.33Å; P214-S218 PolarHBondContact O-OG 3.01Å
215E71.9Confident73.7Confident85 Ų8577.9 Ų77.940%0.39741%0.409SS..Hα-helixtrans-64.2-36.8176.2-64.679.1-165.900113.1S213 S218 K220S213-E215 PolarHBondContact O-N 3.49Å; S213-E215 PolarHBondContact OG-N 3.19Å; S213-E215 PolarHBondContact OG-OE2 2.83Å; E215-S218 PolarHBondContact O-OG 2.83Å; E215-K220 HydrophobicContact CB-CD 3.82Å; E215-K220 HydrophobicContact CB-CG 4.26Å; E215-K220 HydrophobicContact CG-CD 3.85Å; E215-K220 WeakPolarHBondContact O-CB 3.41Å; E215-K220 WeakPolarHBondContact O-CG 3.44Å; E215-K220 PolarHBondContact O-N 2.83Å; E215-K220 VanDerWaalsContact O-N 3.13Å
216I74.3Confident75Confident60 Ų6072.7 Ų72.731%0.30838%0.383SS..Hα-helixtrans-74.4-40.7175.9-58.9176.5000108.9C190 L193 S213 P214 S218 G219C190-I216 PolarHBondContact SG-O 2.76Å; L193-I216 HydrophobicContact CD1-CG2 3.44Å; L193-I216 VanDerWaalsContact CD1-CG2 3.44Å; S213-I216 PolarHBondContact O-N 2.96Å; S213-I216 VanDerWaalsContact O-N 3.17Å; P214-I216 VanDerWaalsContact C-N 3.33Å; P214-I216 PolarHBondContact O-N 3.44Å; I216-S218 VanDerWaalsContact C-N 3.29Å; I216-S218 PolarHBondContact O-N 3.4Å; I216-G219 PolarHBondContact O-N 3.48Å
217L73.1Confident76.3Confident18 Ų1870.7 Ų70.79%0.09437%0.367CS..Hα-helixtrans-67.7-26.3179.4-63.1176.5000113.7L193 R194 K197 F212 S213 P214L193-L217 HydrophobicContact CB-CD2 3.8Å; R194-L217 HydrophobicContact CG-CB 4.35Å; R194-L217 HydrophobicContact CG-CD2 3.7Å; K197-L217 HydrophobicContact CD-CD1 3.85Å; F212-L217 HydrophobicContact CB-CD1 3.83Å; F212-L217 HydrophobicContact CB-CG 4.4Å; S213-L217 WeakPolarHBondContact O-CG 3.45Å; S213-L217 PolarHBondContact O-N 3.1Å; P214-L217 PolarHBondContact O-N 3.21Å
218S75.1Confident77.8Confident52 Ų5270.2 Ų70.236%0.36437%0.365SS..THydrogen-bonded Turntrans-86.6-6176.471.20000114P214 E215 I216P214-S218 WeakPolarHBondContact O-CB 3.35Å; P214-S218 PolarHBondContact O-N 3.33Å; P214-S218 PolarHBondContact O-OG 3.01Å; E215-S218 PolarHBondContact O-OG 2.83Å; I216-S218 VanDerWaalsContact C-N 3.29Å; I216-S218 PolarHBondContact O-N 3.4Å
219G82Confident78.9Confident2 Ų267.4 Ų67.42%0.02134%0.336CS..THydrogen-bonded Turntrans82.224.5177.200000115I216 L221 A222 E223I216-G219 PolarHBondContact O-N 3.48Å; G219-L221 PolarHBondContact O-N 2.95Å; G219-L221 VanDerWaalsContact O-N 3.13Å; G219-A222 WeakPolarHBondContact O-CA 3.38Å; G219-A222 WeakPolarHBondContact O-CB 3.35Å; G219-A222 PolarHBondContact O-N 3.33Å; G219-E223 PolarHBondContact O-N 3.46Å; G219-E223 VanDerWaalsContact O-N 3.12Å
220K83.7Confident80.4Confident102 Ų10259 Ų5944%0.44330%0.299SS..Hα-helixtrans-55.8-31.8177.6-68.9-162-174.3173.50113.4E215 E223 V224E215-K220 HydrophobicContact CB-CD 3.82Å; E215-K220 HydrophobicContact CB-CG 4.26Å; E215-K220 HydrophobicContact CG-CD 3.85Å; E215-K220 WeakPolarHBondContact O-CB 3.41Å; E215-K220 WeakPolarHBondContact O-CG 3.44Å; E215-K220 PolarHBondContact O-N 2.83Å; E215-K220 VanDerWaalsContact O-N 3.13Å; K220-E223 WeakPolarHBondContact O-CB 3.45Å; K220-E223 PolarHBondContact O-N 2.9Å; K220-V224 WeakPolarHBondContact O-CG2 3.14Å; K220-V224 PolarHBondContact O-N 3.3Å
221L85.1Confident81.8Confident62 Ų6255.5 Ų55.533%0.32530%0.3SS..Hα-helixtrans-64.4-40.7174.6-70.8177.2000111.8E186 G219 E223 V224 V225E186-L221 HydrophobicContact CG-CB 4.44Å; G219-L221 PolarHBondContact O-N 2.95Å; G219-L221 VanDerWaalsContact O-N 3.13Å; L221-E223 VanDerWaalsContact C-N 3.3Å; L221-E223 PolarHBondContact O-N 3.22Å; L221-V224 PolarHBondContact O-N 3.22Å; L221-V225 WeakPolarHBondContact O-CG2 2.77Å; L221-V225 PolarHBondContact O-N 3Å
222A89.9Confident83Confident0 Ų051 Ų510%028%0.278CS..Hα-helixtrans-64-37174.100000111.3F183 E186 L187 G219 V224 V225 Y226 L255F183-A222 HydrophobicContact CD2-CB 3.89Å; F183-A222 VanDerWaalsContact CD2-O 3.31Å; F183-A222 WeakPolarHBondContact CD2-O 3.44Å; F183-A222 HydrophobicContact CE2-CB 3.69Å; F183-A222 VanDerWaalsContact CE2-O 3.27Å; F183-A222 WeakPolarHBondContact CE2-O 3.4Å; F183-A222 HydrophobicContact CZ-CB 4.43Å; E186-A222 HydrophobicContact CB-CB 4.08Å; L187-A222 HydrophobicContact CD2-CB 3.51Å; L187-A222 HydrophobicContact CG-CB 3.85Å; G219-A222 WeakPolarHBondContact O-CA 3.38Å; G219-A222 WeakPolarHBondContact O-CB 3.35Å; G219-A222 PolarHBondContact O-N 3.33Å; A222-V224 PolarHBondContact O-N 3.29Å; A222-V225 PolarHBondContact O-N 3.08Å; A222-Y226 WeakPolarHBondContact O-CB 3.32Å; A222-Y226 PolarHBondContact O-N 3.17Å; A222-L255 HydrophobicContact CB-CD2 4.32Å
223E89.2Confident83.9Confident58 Ų5849.9 Ų49.927%0.27127%0.273SS..Hα-helixtrans-61.4-40.6172.4-165.3-164.6154.600112.3G219 K220 L221 Y226 K227 L255G219-E223 PolarHBondContact O-N 3.46Å; G219-E223 VanDerWaalsContact O-N 3.12Å; K220-E223 WeakPolarHBondContact O-CB 3.45Å; K220-E223 PolarHBondContact O-N 2.9Å; L221-E223 VanDerWaalsContact C-N 3.3Å; L221-E223 PolarHBondContact O-N 3.22Å; E223-Y226 WeakPolarHBondContact O-CB 3.47Å; E223-Y226 PolarHBondContact O-N 3.41Å; E223-K227 WeakPolarHBondContact O-CG 3.44Å; E223-K227 PolarHBondContact O-N 3.25Å; E223-K227 VanDerWaalsContact OE1-CE 3.23Å; E223-K227 WeakPolarHBondContact OE1-CE 3.5Å; E223-K227 IonicContact OE1-NZ 3.91Å; E223-K227 PolarHBondContact OE1-NZ 3.09Å; E223-L255 HydrophobicContact CB-CD1 3.97Å; E223-L255 HydrophobicContact CG-CD1 3.96Å
224V89.6Confident84.3Confident94 Ų9455.5 Ų55.557%0.5729%0.292SS*.Hα-helixtrans-64.3-43.2174.6173.20000111K220 L221 A222 Y226 K227 D228K220-V224 WeakPolarHBondContact O-CG2 3.14Å; K220-V224 PolarHBondContact O-N 3.3Å; L221-V224 PolarHBondContact O-N 3.22Å; A222-V224 PolarHBondContact O-N 3.29Å; V224-Y226 VanDerWaalsContact C-N 3.3Å; V224-Y226 PolarHBondContact O-N 2.78Å; V224-K227 PolarHBondContact O-N 3.35Å; V224-D228 PolarHBondContact O-N 3.31Å
225V90.3Very high85.1Confident7 Ų755.9 Ų55.94%0.04229%0.287CS..Hα-helixtrans-61.2-42.4175.4177.60000110.9Y179 Y182 F183 E186 L221 A222 D228 A229Y179-V225 HydrophobicContact CD1-CG1 4.18Å; Y182-V225 HydrophobicContact CD1-CB 4.23Å; Y182-V225 HydrophobicContact CD1-CG1 3.48Å; Y182-V225 VanDerWaalsContact CD1-CG1 3.48Å; Y182-V225 HydrophobicContact CD1-CG2 3.62Å; Y182-V225 HydrophobicContact CE1-CB 4.18Å; Y182-V225 HydrophobicContact CE1-CG1 3.91Å; Y182-V225 HydrophobicContact CE1-CG2 3.18Å; Y182-V225 HydrophobicContact CE2-CG2 4.27Å; Y182-V225 HydrophobicContact CG-CG1 4.18Å; Y182-V225 HydrophobicContact CG-CG2 4.32Å; F183-V225 HydrophobicContact CB-CG1 4.1Å; F183-V225 HydrophobicContact CD2-CB 4.46Å; E186-V225 HydrophobicContact CG-CG2 4.24Å; L221-V225 WeakPolarHBondContact O-CG2 2.77Å; L221-V225 PolarHBondContact O-N 3Å; A222-V225 PolarHBondContact O-N 3.08Å; V225-D228 PolarHBondContact O-N 3.01Å; V225-A229 VanDerWaalsContact O-CB 3.26Å; V225-A229 WeakPolarHBondContact O-CB 3.42Å; V225-A229 PolarHBondContact O-N 3.42Å
226Y91.6Very high85.8Confident6 Ų651.9 Ų51.92%0.02427%0.268CS..Hα-helixtrans-57.2-51.7175.7173.6-96.9000111.3A222 E223 V224 D228 A229 T230 V239 L242 I259 D262A222-Y226 WeakPolarHBondContact O-CB 3.32Å; A222-Y226 PolarHBondContact O-N 3.17Å; E223-Y226 WeakPolarHBondContact O-CB 3.47Å; E223-Y226 PolarHBondContact O-N 3.41Å; V224-Y226 VanDerWaalsContact C-N 3.3Å; V224-Y226 PolarHBondContact O-N 2.78Å; Y226-D228 PolarHBondContact O-N 3.38Å; Y226-A229 WeakPolarHBondContact O-CB 3.32Å; Y226-A229 PolarHBondContact O-N 3.43Å; Y226-A229 VanDerWaalsContact O-N 3.11Å; Y226-T230 HydrophobicContact CD1-CG2 4.46Å; Y226-T230 HydrophobicContact CD2-CG2 4.1Å; Y226-T230 HydrophobicContact CE1-CG2 3.99Å; Y226-T230 HydrophobicContact CE2-CG2 3.58Å; Y226-T230 HydrophobicContact CG-CG2 4.5Å; Y226-T230 PolarHBondContact O-N 3.06Å; Y226-T230 PolarHBondContact O-OG1 3.07Å; Y226-V239 HydrophobicContact CE2-CG1 4.05Å; Y226-V239 WeakPolarHBondContact OH-CG1 3.42Å; Y226-L242 HydrophobicContact CD2-CB 4.4Å; Y226-L242 HydrophobicContact CD2-CD1 3.7Å; Y226-L242 HydrophobicContact CE2-CD1 4.17Å; Y226-I259 HydrophobicContact CD1-CG1 4.34Å; Y226-I259 HydrophobicContact CD2-CD1 3.95Å; Y226-I259 HydrophobicContact CD2-CG1 3.88Å; Y226-I259 HydrophobicContact CE1-CG1 4.08Å; Y226-I259 HydrophobicContact CE2-CB 4.24Å; Y226-I259 HydrophobicContact CE2-CD1 4Å; Y226-I259 HydrophobicContact CE2-CG1 3.58Å; Y226-I259 HydrophobicContact CE2-CG2 3.83Å; Y226-I259 HydrophobicContact CG-CD1 4.49Å; Y226-I259 HydrophobicContact CG-CG1 4.26Å; Y226-D262 WeakPolarHBondContact CE1-OD2 3.48Å; Y226-D262 PolarHBondContact OH-OD2 3.33Å
227K90.6Very high86.4Confident117 Ų11755 Ų5551%0.50928%0.281SS..Hα-helixtrans-61.9-40.3179.9-70.5177.4-175.2169.50113.2E223 V224 A229 T230 A231E223-K227 WeakPolarHBondContact O-CG 3.44Å; E223-K227 PolarHBondContact O-N 3.25Å; E223-K227 VanDerWaalsContact OE1-CE 3.23Å; E223-K227 WeakPolarHBondContact OE1-CE 3.5Å; E223-K227 IonicContact OE1-NZ 3.91Å; E223-K227 PolarHBondContact OE1-NZ 3.09Å; V224-K227 PolarHBondContact O-N 3.35Å; K227-A229 VanDerWaalsContact C-N 3.33Å; K227-T230 PolarHBondContact O-OG1 3.26Å; K227-A231 WeakPolarHBondContact O-CB 3.47Å; K227-A231 PolarHBondContact O-N 3.49Å; K227-A231 VanDerWaalsContact O-N 3.12Å
228D90.1Very high87.1Confident64 Ų6454.2 Ų54.234%0.34228%0.277SS..Hα-helixtrans-66.1-38.1174.3-178.862.6000111.5Y179 V224 V225 Y226 K232Y179-D228 WeakPolarHBondContact CE1-OD2 3.44Å; Y179-D228 PolarHBondContact OH-OD2 3.44Å; V224-D228 PolarHBondContact O-N 3.31Å; V225-D228 PolarHBondContact O-N 3.01Å; Y226-D228 PolarHBondContact O-N 3.38Å; D228-K232 WeakPolarHBondContact OD1-CE 3.48Å; D228-K232 IonicContact OD1-NZ 2.72Å; D228-K232 PolarHBondContact OD1-NZ 3.37Å; D228-K232 IonicContact OD2-NZ 3.76Å; D228-K232 PolarHBondContact OD2-NZ 3.36Å
229A90.4Very high87.7Confident0 Ų051.8 Ų51.80%026%0.26CS..Hα-helixtrans-68-45.6179.700000112.1Y179 V225 Y226 K227 A231 K232 I233 F238 L242Y179-A229 HydrophobicContact CD1-CB 3.46Å; Y179-A229 VanDerWaalsContact CD1-CB 3.46Å; Y179-A229 HydrophobicContact CD2-CB 4.38Å; Y179-A229 HydrophobicContact CE1-CB 3.8Å; Y179-A229 HydrophobicContact CG-CB 3.79Å; V225-A229 VanDerWaalsContact O-CB 3.26Å; V225-A229 WeakPolarHBondContact O-CB 3.42Å; V225-A229 PolarHBondContact O-N 3.42Å; Y226-A229 WeakPolarHBondContact O-CB 3.32Å; Y226-A229 PolarHBondContact O-N 3.43Å; Y226-A229 VanDerWaalsContact O-N 3.11Å; K227-A229 VanDerWaalsContact C-N 3.33Å; A229-A231 VanDerWaalsContact C-N 3.34Å; A229-K232 PolarHBondContact O-N 3.26Å; A229-I233 PolarHBondContact O-N 3.28Å; A229-F238 HydrophobicContact CB-CE1 3.77Å; A229-F238 HydrophobicContact CB-CZ 3.94Å; A229-L242 HydrophobicContact CB-CD1 4.35Å
230T88.3Confident88Confident26 Ų2652.5 Ų52.516%0.1626%0.263CS..Hα-helixtrans-73.7-24.4-179.857.70000113.2Y226 K227 K232 V239Y226-T230 HydrophobicContact CD1-CG2 4.46Å; Y226-T230 HydrophobicContact CD2-CG2 4.1Å; Y226-T230 HydrophobicContact CE1-CG2 3.99Å; Y226-T230 HydrophobicContact CE2-CG2 3.58Å; Y226-T230 HydrophobicContact CG-CG2 4.5Å; Y226-T230 PolarHBondContact O-N 3.06Å; Y226-T230 PolarHBondContact O-OG1 3.07Å; K227-T230 PolarHBondContact O-OG1 3.26Å; T230-K232 VanDerWaalsContact C-N 3.26Å; T230-K232 PolarHBondContact O-N 2.99Å; T230-V239 HydrophobicContact CG2-CG2 3.96Å
231A88.6Confident88.4Confident72 Ų7248.9 Ų48.960%0.59525%0.25SS*.Hα-helixtrans-62.9-33169.900000112.6K227 A229K227-A231 WeakPolarHBondContact O-CB 3.47Å; K227-A231 PolarHBondContact O-N 3.49Å; K227-A231 VanDerWaalsContact O-N 3.12Å; A229-A231 VanDerWaalsContact C-N 3.34Å
232K88Confident88.7Confident86 Ų8646 Ų4637%0.37424%0.235SC..Hα-helixtrans-96.7-42.5-179-62.9-179.6-163.7161.90113P173 Y179 D228 A229 T230P173-K232 WeakPolarHBondContact O-CD 3.47Å; Y179-K232 WeakPolarHBondContact OH-CD 3.4Å; Y179-K232 PolarHBondContact OH-NZ 3.38Å; D228-K232 WeakPolarHBondContact OD1-CE 3.48Å; D228-K232 IonicContact OD1-NZ 2.72Å; D228-K232 PolarHBondContact OD1-NZ 3.37Å; D228-K232 IonicContact OD2-NZ 3.76Å; D228-K232 PolarHBondContact OD2-NZ 3.36Å; A229-K232 PolarHBondContact O-N 3.26Å; T230-K232 VanDerWaalsContact C-N 3.26Å; T230-K232 PolarHBondContact O-N 2.99Å
233I87.1Confident88.7Confident10 Ų1046.3 Ų46.35%0.05124%0.237CC..  trans-113.4100.9-173.9-51.4178.3000108.8K176 Y179 A229 E235 F238K176-I233 HydrophobicContact CG-CD1 3.81Å; K176-I233 HydrophobicContact CG-CG2 4.28Å; Y179-I233 HydrophobicContact CD2-CD1 4Å; Y179-I233 HydrophobicContact CE2-CD1 4.4Å; A229-I233 PolarHBondContact O-N 3.28Å; I233-E235 VanDerWaalsContact C-N 3.34Å; I233-E235 HydrophobicContact CG2-CB 4.42Å; I233-E235 PolarHBondContact O-N 2.91Å; I233-F238 HydrophobicContact CB-CD1 3.73Å; I233-F238 HydrophobicContact CB-CE1 3.92Å; I233-F238 HydrophobicContact CB-CG 4.41Å; I233-F238 HydrophobicContact CD1-CD1 4.44Å; I233-F238 HydrophobicContact CD1-CE1 4.11Å; I233-F238 HydrophobicContact CD1-CE2 4.41Å; I233-F238 HydrophobicContact CD1-CZ 4.09Å; I233-F238 HydrophobicContact CG2-CB 3.94Å; I233-F238 HydrophobicContact CG2-CD1 3.53Å; I233-F238 HydrophobicContact CG2-CE1 4.17Å; I233-F238 HydrophobicContact CG2-CG 3.75Å
234K82.8Confident88.7Confident160 Ų16047.5 Ų47.570%0.69625%0.246SC*.  trans-91.916.8-176.5-58.5-173.4178.9-174.60114.3H267K234-H267 PolarHBondContact O-CE1 3.28Å; K234-H267 PolarHBondContact O-ND1 3.06Å
235E85.9Confident88.8Confident93 Ų9344 Ų4444%0.43522%0.223SC..  trans-84.4129.7-178.1-66.1178.7-133.900110.9K176 I233 E237 F238 V239K176-E235 VanDerWaalsContact CE-OE1 3.26Å; K176-E235 WeakPolarHBondContact CE-OE1 3.48Å; K176-E235 IonicContact NZ-OE1 3.23Å; K176-E235 PolarHBondContact NZ-OE1 2.97Å; K176-E235 IonicContact NZ-OE2 2.63Å; K176-E235 PolarHBondContact NZ-OE2 3.5Å; I233-E235 VanDerWaalsContact C-N 3.34Å; I233-E235 HydrophobicContact CG2-CB 4.42Å; I233-E235 PolarHBondContact O-N 2.91Å; E235-E237 VanDerWaalsContact C-N 3.3Å; E235-E237 PolarHBondContact O-N 2.93Å; E235-F238 HydrophobicContact CB-CB 4.34Å; E235-F238 WeakPolarHBondContact O-CB 3.36Å; E235-F238 PolarHBondContact O-N 3.45Å; E235-F238 VanDerWaalsContact O-N 3.08Å; E235-V239 PolarHBondContact O-N 3.06Å
236A85.4Confident88.8Confident1 Ų143.6 Ų43.61%0.00822%0.221CC..Hα-helixtrans-61.9-37.6-178.300000112.3F238 V239 I240 L263 H267 D270 T273A236-F238 PolarHBondContact O-N 3.03Å; A236-V239 PolarHBondContact O-N 3.36Å; A236-V239 VanDerWaalsContact O-N 3.17Å; A236-I240 WeakPolarHBondContact O-CB 3.41Å; A236-I240 WeakPolarHBondContact O-CD1 3.43Å; A236-I240 VanDerWaalsContact O-CG1 3.24Å; A236-I240 WeakPolarHBondContact O-CG1 3.36Å; A236-I240 PolarHBondContact O-N 3.2Å; A236-L263 HydrophobicContact CB-CD2 4.35Å; A236-H267 HydrophobicContact CB-CB 4.01Å; A236-D270 HydrophobicContact CB-CB 4Å; A236-D270 VanDerWaalsContact CB-OD2 3.3Å; A236-D270 WeakPolarHBondContact CB-OD2 3.36Å; A236-T273 WeakPolarHBondContact CB-OG1 3.28Å
237E86.9Confident88.7Confident124 Ų12445.9 Ų45.958%0.57924%0.241SC*.Hα-helixtrans-55.8-38.8175.7-171.3-177.6179.100111.9E235 S241 L272E235-E237 VanDerWaalsContact C-N 3.3Å; E235-E237 PolarHBondContact O-N 2.93Å; E237-S241 PolarHBondContact O-N 3.43Å; E237-L272 HydrophobicContact CB-CD1 4.32Å
238F88.8Confident88.6Confident3 Ų344.8 Ų44.81%0.01324%0.239CC..Hα-helixtrans-70.6-44.2178.7174.5-108.6000111.5K176 Y179 Q180 A229 I233 E235 A236 I240 S241 L242K176-F238 HydrophobicContact CB-CD2 3.75Å; K176-F238 HydrophobicContact CB-CE2 3.86Å; K176-F238 HydrophobicContact CD-CB 4.46Å; K176-F238 HydrophobicContact CD-CD2 4.23Å; K176-F238 HydrophobicContact CG-CD2 3.74Å; K176-F238 HydrophobicContact CG-CE2 4.15Å; K176-F238 HydrophobicContact CG-CG 4.3Å; K176-F238 WeakPolarHBondContact O-CE2 3.33Å; Y179-F238 HydrophobicContact CG-CZ 4.32Å; Q180-F238 HydrophobicContact CG-CE2 4.04Å; A229-F238 HydrophobicContact CB-CE1 3.77Å; A229-F238 HydrophobicContact CB-CZ 3.94Å; I233-F238 HydrophobicContact CB-CD1 3.73Å; I233-F238 HydrophobicContact CB-CE1 3.92Å; I233-F238 HydrophobicContact CB-CG 4.41Å; I233-F238 HydrophobicContact CD1-CD1 4.44Å; I233-F238 HydrophobicContact CD1-CE1 4.11Å; I233-F238 HydrophobicContact CD1-CE2 4.41Å; I233-F238 HydrophobicContact CD1-CZ 4.09Å; I233-F238 HydrophobicContact CG2-CB 3.94Å; I233-F238 HydrophobicContact CG2-CD1 3.53Å; I233-F238 HydrophobicContact CG2-CE1 4.17Å; I233-F238 HydrophobicContact CG2-CG 3.75Å; E235-F238 HydrophobicContact CB-CB 4.34Å; E235-F238 WeakPolarHBondContact O-CB 3.36Å; E235-F238 PolarHBondContact O-N 3.45Å; E235-F238 VanDerWaalsContact O-N 3.08Å; A236-F238 PolarHBondContact O-N 3.03Å; F238-I240 VanDerWaalsContact C-N 3.34Å; F238-I240 PolarHBondContact O-N 3.46Å; F238-S241 WeakPolarHBondContact O-CB 3.46Å; F238-S241 PolarHBondContact O-N 2.72Å; F238-S241 VanDerWaalsContact O-N 3.08Å; F238-S241 PolarHBondContact O-OG 3.34Å; F238-L242 HydrophobicContact CD1-CD1 4.47Å; F238-L242 HydrophobicContact CE1-CD1 3.79Å; F238-L242 HydrophobicContact CE1-CG 4.42Å; F238-L242 HydrophobicContact CE2-CD2 4.4Å; F238-L242 HydrophobicContact CE2-CG 4.44Å; F238-L242 HydrophobicContact CZ-CD1 3.85Å; F238-L242 HydrophobicContact CZ-CD2 4.27Å; F238-L242 HydrophobicContact CZ-CG 4.18Å; F238-L242 PolarHBondContact O-N 3.16Å; F238-L242 VanDerWaalsContact O-N 3.13Å
239V88.3Confident88.5Confident0 Ų042.3 Ų42.30%023%0.226CC..Hα-helixtrans-60.2-44.7175.4-178.70000111.1Y226 T230 E235 A236 S241 L242 L243 I259 L263Y226-V239 HydrophobicContact CE2-CG1 4.05Å; Y226-V239 WeakPolarHBondContact OH-CG1 3.42Å; T230-V239 HydrophobicContact CG2-CG2 3.96Å; E235-V239 PolarHBondContact O-N 3.06Å; A236-V239 PolarHBondContact O-N 3.36Å; A236-V239 VanDerWaalsContact O-N 3.17Å; V239-S241 VanDerWaalsContact C-N 3.26Å; V239-S241 PolarHBondContact O-N 2.9Å; V239-L242 PolarHBondContact O-N 3.01Å; V239-L242 VanDerWaalsContact O-N 3.1Å; V239-L243 PolarHBondContact O-N 2.77Å; V239-I259 HydrophobicContact CG1-CG2 3.76Å; V239-L263 HydrophobicContact CB-CD1 4.33Å; V239-L263 HydrophobicContact CB-CG 4.35Å; V239-L263 HydrophobicContact CG1-CD1 3.64Å; V239-L263 HydrophobicContact CG1-CG 3.75Å
240I88.2Confident88.3Confident18 Ų1849.3 Ų49.39%0.09226%0.263CS..Hα-helixtrans-58.3-39.5174.1-68163.3000110.8A236 F238 L242 L243 N244 L263 F276A236-I240 WeakPolarHBondContact O-CB 3.41Å; A236-I240 WeakPolarHBondContact O-CD1 3.43Å; A236-I240 VanDerWaalsContact O-CG1 3.24Å; A236-I240 WeakPolarHBondContact O-CG1 3.36Å; A236-I240 PolarHBondContact O-N 3.2Å; F238-I240 VanDerWaalsContact C-N 3.34Å; F238-I240 PolarHBondContact O-N 3.46Å; I240-L242 VanDerWaalsContact C-N 3.33Å; I240-L242 PolarHBondContact O-N 3.45Å; I240-L243 PolarHBondContact O-N 2.9Å; I240-N244 VanDerWaalsContact O-CG 3.29Å; I240-N244 PolarHBondContact O-N 2.99Å; I240-N244 PolarHBondContact O-ND2 3.04Å; I240-L263 HydrophobicContact CG1-CD1 3.98Å; I240-L263 HydrophobicContact CG1-CD2 4.18Å; I240-F276 HydrophobicContact CD1-CB 3.76Å; I240-F276 HydrophobicContact CD1-CG 4.03Å; I240-F276 HydrophobicContact CG1-CB 4.28Å; I240-F276 HydrophobicContact CG1-CD1 4.2Å; I240-F276 HydrophobicContact CG1-CD2 4.36Å; I240-F276 HydrophobicContact CG1-CG 4Å; I240-F276 HydrophobicContact CG2-CD2 3.46Å; I240-F276 VanDerWaalsContact CG2-CD2 3.46Å; I240-F276 HydrophobicContact CG2-CE2 3.62Å; I240-F276 HydrophobicContact CG2-CG 3.98Å; I240-F276 HydrophobicContact CG2-CZ 4.28Å
241S91Very high88.2Confident25 Ų2549.8 Ų49.818%0.17526%0.263CS..Hα-helixtrans-63.5-36.917782.30000113.1Q180 E237 F238 V239 I245Q180-S241 PolarHBondContact NE2-OG 3.47Å; E237-S241 PolarHBondContact O-N 3.43Å; F238-S241 WeakPolarHBondContact O-CB 3.46Å; F238-S241 PolarHBondContact O-N 2.72Å; F238-S241 VanDerWaalsContact O-N 3.08Å; F238-S241 PolarHBondContact O-OG 3.34Å; V239-S241 VanDerWaalsContact C-N 3.26Å; V239-S241 PolarHBondContact O-N 2.9Å; S241-I245 WeakPolarHBondContact O-CG1 3.43Å; S241-I245 PolarHBondContact O-N 2.94Å; S241-I245 VanDerWaalsContact O-N 3.16Å
242L91.3Very high88.2Confident1 Ų146.4 Ų46.41%0.00524%0.235CC..Hα-helixtrans-70.4-40.1175.8-63.9-179.9000111.2Q180 F183 Y226 A229 F238 V239 I240 N244 I245 A246Q180-L242 HydrophobicContact CG-CD2 4.16Å; F183-L242 HydrophobicContact CB-CD2 4.06Å; F183-L242 HydrophobicContact CD1-CB 4.49Å; F183-L242 HydrophobicContact CD1-CD2 4Å; F183-L242 HydrophobicContact CE1-CB 4.38Å; F183-L242 WeakPolarHBondContact CE1-O 3.41Å; F183-L242 HydrophobicContact CG-CD2 4.06Å; Y226-L242 HydrophobicContact CD2-CB 4.4Å; Y226-L242 HydrophobicContact CD2-CD1 3.7Å; Y226-L242 HydrophobicContact CE2-CD1 4.17Å; A229-L242 HydrophobicContact CB-CD1 4.35Å; F238-L242 HydrophobicContact CD1-CD1 4.47Å; F238-L242 HydrophobicContact CE1-CD1 3.79Å; F238-L242 HydrophobicContact CE1-CG 4.42Å; F238-L242 HydrophobicContact CE2-CD2 4.4Å; F238-L242 HydrophobicContact CE2-CG 4.44Å; F238-L242 HydrophobicContact CZ-CD1 3.85Å; F238-L242 HydrophobicContact CZ-CD2 4.27Å; F238-L242 HydrophobicContact CZ-CG 4.18Å; F238-L242 PolarHBondContact O-N 3.16Å; F238-L242 VanDerWaalsContact O-N 3.13Å; V239-L242 PolarHBondContact O-N 3.01Å; V239-L242 VanDerWaalsContact O-N 3.1Å; I240-L242 VanDerWaalsContact C-N 3.33Å; I240-L242 PolarHBondContact O-N 3.45Å; L242-N244 PolarHBondContact O-N 3.26Å; L242-I245 HydrophobicContact CD2-CD1 4.47Å; L242-I245 WeakPolarHBondContact O-CB 3.44Å; L242-I245 PolarHBondContact O-N 3.3Å; L242-I245 VanDerWaalsContact O-N 3.15Å; L242-A246 PolarHBondContact O-N 2.9Å
243L90Very high88.1Confident7 Ų749.3 Ų49.34%0.03725%0.248CC..Hα-helixtrans-60-45.1174-178.865.1000111.7V239 I240 I245 A246 A247 Q256 I259 L260 F276V239-L243 PolarHBondContact O-N 2.77Å; I240-L243 PolarHBondContact O-N 2.9Å; L243-I245 PolarHBondContact O-N 2.96Å; L243-A246 WeakPolarHBondContact O-CB 3.48Å; L243-A246 PolarHBondContact O-N 3.09Å; L243-A246 VanDerWaalsContact O-N 3.1Å; L243-A247 PolarHBondContact O-N 3.03Å; L243-Q256 HydrophobicContact CD1-CB 3.76Å; L243-Q256 HydrophobicContact CD1-CG 3.89Å; L243-I259 HydrophobicContact CB-CG2 3.95Å; L243-I259 HydrophobicContact CD1-CB 4.19Å; L243-I259 HydrophobicContact CD1-CG2 4.13Å; L243-I259 HydrophobicContact CG-CG2 4.49Å; L243-L260 HydrophobicContact CD1-CG 4.18Å; L243-L260 HydrophobicContact CD2-CD2 3.39Å; L243-L260 HydrophobicContact CD2-CG 3.97Å; L243-F276 HydrophobicContact CD2-CE1 3.36Å; L243-F276 HydrophobicContact CD2-CZ 3.48Å; L243-F276 VanDerWaalsContact CD2-CZ 3.48Å; L243-F276 HydrophobicContact CG-CZ 4.4Å
244N89.6Confident88.1Confident84 Ų8456.4 Ų56.445%0.44928%0.281SS..Hα-helixtrans-61.9-32.8176.1-71.6-25.3000112.3I240 L242I240-N244 VanDerWaalsContact O-CG 3.29Å; I240-N244 PolarHBondContact O-N 2.99Å; I240-N244 PolarHBondContact O-ND2 3.04Å; L242-N244 PolarHBondContact O-N 3.26Å
245I91.3Very high88.3Confident19 Ų1949.5 Ų49.510%0.09725%0.251CS..Hα-helixtrans-69-44.4172.8-67.5165.7000110.4Q180 F183 R184 L187 S241 L242 L243 A247 I248 F249Q180-I245 HydrophobicContact CB-CD1 3.87Å; Q180-I245 HydrophobicContact CG-CD1 4.09Å; F183-I245 HydrophobicContact CD1-CB 4.17Å; F183-I245 HydrophobicContact CD1-CG2 3.81Å; F183-I245 HydrophobicContact CE1-CB 4.23Å; F183-I245 HydrophobicContact CE1-CG2 4.07Å; R184-I245 HydrophobicContact CB-CG2 3.82Å; R184-I245 HydrophobicContact CG-CG2 4.02Å; L187-I245 HydrophobicContact CD1-CG2 4.32Å; S241-I245 WeakPolarHBondContact O-CG1 3.43Å; S241-I245 PolarHBondContact O-N 2.94Å; S241-I245 VanDerWaalsContact O-N 3.16Å; L242-I245 HydrophobicContact CD2-CD1 4.47Å; L242-I245 WeakPolarHBondContact O-CB 3.44Å; L242-I245 PolarHBondContact O-N 3.3Å; L242-I245 VanDerWaalsContact O-N 3.15Å; L243-I245 PolarHBondContact O-N 2.96Å; I245-A247 VanDerWaalsContact C-N 3.32Å; I245-A247 PolarHBondContact O-N 2.86Å; I245-I248 WeakPolarHBondContact O-CB 3.19Å; I245-I248 PolarHBondContact O-N 3.35Å; I245-F249 HydrophobicContact CG2-CE2 4.35Å; I245-F249 VanDerWaalsContact O-CD2 3.29Å; I245-F249 WeakPolarHBondContact O-CD2 3.45Å; I245-F249 WeakPolarHBondContact O-CE2 3.25Å
246A91Very high88.4Confident0 Ų047 Ų470%024%0.24CC..Hα-helixtrans-59.9-43177.200000111.3F183 L187 L242 L243 I248 F249 T252 Q256F183-A246 HydrophobicContact CE1-CB 4.18Å; F183-A246 HydrophobicContact CZ-CB 4.23Å; L187-A246 HydrophobicContact CD1-CB 4.37Å; L242-A246 PolarHBondContact O-N 2.9Å; L243-A246 WeakPolarHBondContact O-CB 3.48Å; L243-A246 PolarHBondContact O-N 3.09Å; L243-A246 VanDerWaalsContact O-N 3.1Å; A246-I248 PolarHBondContact O-N 3.22Å; A246-F249 PolarHBondContact O-N 3.22Å; A246-T252 PolarHBondContact O-OG1 3.47Å; A246-Q256 HydrophobicContact CB-CG 3.91Å
247A88.9Confident88.5Confident53 Ų5351.4 Ų51.444%0.43826%0.263SS..THydrogen-bonded Turntrans-56.2-19.717900000115L243 I245 F249L243-A247 PolarHBondContact O-N 3.03Å; I245-A247 VanDerWaalsContact C-N 3.32Å; I245-A247 PolarHBondContact O-N 2.86Å; A247-F249 PolarHBondContact O-N 2.93Å
248I89.8Confident88.5Confident94 Ų9447.7 Ų47.748%0.48225%0.251SS..THydrogen-bonded Turntrans-68.1-22.6174.4-56.6174.2000111.7I245 A246I245-I248 WeakPolarHBondContact O-CB 3.19Å; I245-I248 PolarHBondContact O-N 3.35Å; A246-I248 PolarHBondContact O-N 3.22Å
249F87.4Confident88.4Confident12 Ų1247.5 Ų47.55%0.05325%0.25CS..SBendtrans-112.5114.4-172.1-57.8-88.9000111.2L187 L188 E191 I245 A246 A247 F251 T252L187-F249 HydrophobicContact CB-CD1 4.37Å; L187-F249 HydrophobicContact CB-CD2 3.82Å; L187-F249 HydrophobicContact CB-CE1 4.13Å; L187-F249 HydrophobicContact CB-CE2 3.55Å; L187-F249 HydrophobicContact CB-CG 4.22Å; L187-F249 HydrophobicContact CB-CZ 3.71Å; L187-F249 HydrophobicContact CD1-CD2 3.68Å; L187-F249 HydrophobicContact CD1-CE2 3.79Å; L187-F249 HydrophobicContact CG-CD2 4.36Å; L187-F249 HydrophobicContact CG-CE2 4.34Å; L188-F249 HydrophobicContact CB-CZ 4.47Å; E191-F249 HydrophobicContact CB-CD1 4.19Å; E191-F249 HydrophobicContact CB-CE1 4.29Å; E191-F249 HydrophobicContact CG-CD1 4.41Å; E191-F249 WeakPolarHBondContact OE2-CE1 3.24Å; I245-F249 HydrophobicContact CG2-CE2 4.35Å; I245-F249 VanDerWaalsContact O-CD2 3.29Å; I245-F249 WeakPolarHBondContact O-CD2 3.45Å; I245-F249 WeakPolarHBondContact O-CE2 3.25Å; A246-F249 PolarHBondContact O-N 3.22Å; A247-F249 PolarHBondContact O-N 2.93Å; F249-F251 HydrophobicContact CB-CD1 4.08Å; F249-F251 HydrophobicContact CB-CE1 3.71Å; F249-F251 HydrophobicContact CB-CZ 4.17Å; F249-F251 AromaticContact CD1-CE1 3.96Å; F249-F251 HydrophobicContact CD1-CE1 3.96Å; F249-F251 HydrophobicContact CD1-CZ 4.42Å; F249-F251 HydrophobicContact CG-CE1 4.18Å; F249-F251 HydrophobicContact CG-CZ 4.48Å; F249-F251 PolarHBondContact O-N 2.94Å; F249-T252 HydrophobicContact CB-CG2 3.66Å; F249-T252 PolarHBondContact O-N 3.11Å; F249-T252 VanDerWaalsContact O-N 3.08Å; F249-T252 PolarHBondContact O-OG1 3.26Å
250D85.9Confident88.3Confident147 Ų14748.3 Ų48.379%0.78625%0.254SS*.G310 helixtrans-57-27.4-173.3-62.9-26.9000114.8T252D250-T252 VanDerWaalsContact C-N 3.33Å
251F85.4Confident88.2Confident36 Ų3653.7 Ų53.716%0.15828%0.279CS..G310 helixtrans-82.8-6.2-17767-92000115.1L187 C190 E191 F249 K253L187-F251 HydrophobicContact CD2-CE2 4.31Å; L187-F251 HydrophobicContact CD2-CZ 4.34Å; C190-F251 HydrophobicContact CB-CE2 3.87Å; C190-F251 HydrophobicContact CB-CZ 3.63Å; E191-F251 HydrophobicContact CB-CE1 3.99Å; E191-F251 HydrophobicContact CG-CE1 4.4Å; F249-F251 HydrophobicContact CB-CD1 4.08Å; F249-F251 HydrophobicContact CB-CE1 3.71Å; F249-F251 HydrophobicContact CB-CZ 4.17Å; F249-F251 AromaticContact CD1-CE1 3.96Å; F249-F251 HydrophobicContact CD1-CE1 3.96Å; F249-F251 HydrophobicContact CD1-CZ 4.42Å; F249-F251 HydrophobicContact CG-CE1 4.18Å; F249-F251 HydrophobicContact CG-CZ 4.48Å; F249-F251 PolarHBondContact O-N 2.94Å; F251-K253 VanDerWaalsContact C-N 3.31Å; F251-K253 PolarHBondContact O-N 3.24Å
252T88.5Confident88Confident2 Ų254.1 Ų54.11%0.01228%0.279CS..G310 helixtrans-91.514.4-171.663.10000113.4L187 A246 F249 D250 E254 L255 Q256L187-T252 HydrophobicContact CD1-CG2 4.35Å; L187-T252 HydrophobicContact CD2-CG2 3.7Å; A246-T252 PolarHBondContact O-OG1 3.47Å; F249-T252 HydrophobicContact CB-CG2 3.66Å; F249-T252 PolarHBondContact O-N 3.11Å; F249-T252 VanDerWaalsContact O-N 3.08Å; F249-T252 PolarHBondContact O-OG1 3.26Å; D250-T252 VanDerWaalsContact C-N 3.33Å; T252-E254 VanDerWaalsContact C-N 3.32Å; T252-E254 PolarHBondContact O-N 3.36Å; T252-L255 CarbonylContact O-C 3.56Å; T252-L255 WeakPolarHBondContact O-CA 3.44Å; T252-L255 WeakPolarHBondContact O-CB 3.47Å; T252-L255 PolarHBondContact O-N 3.37Å; T252-Q256 WeakPolarHBondContact O-CG 3.42Å; T252-Q256 PolarHBondContact O-N 3.2Å; T252-Q256 PolarHBondContact OG1-NE2 3.39Å
253K86.8Confident87.6Confident146 Ų14654.1 Ų54.164%0.63528%0.279SS*.Hα-helixtrans-52.6-46.5-176.4-68-177180-178.90113.1F251 L255 Q256 D257F251-K253 VanDerWaalsContact C-N 3.31Å; F251-K253 PolarHBondContact O-N 3.24Å; K253-L255 VanDerWaalsContact C-N 3.32Å; K253-L255 PolarHBondContact O-N 2.87Å; K253-Q256 WeakPolarHBondContact O-CB 3.47Å; K253-Q256 PolarHBondContact O-N 3.02Å; K253-D257 VanDerWaalsContact O-CG 3.32Å; K253-D257 PolarHBondContact O-N 2.88Å
254E86.8Confident87.2Confident160 Ų16058.9 Ų58.975%0.74830%0.301SS*.Hα-helixtrans-61.5-40176.9-63.9179.2179.900112.4T252 D257 S258T252-E254 VanDerWaalsContact C-N 3.32Å; T252-E254 PolarHBondContact O-N 3.36Å; E254-D257 PolarHBondContact O-N 2.89Å; E254-S258 PolarHBondContact O-N 2.92Å
255L87.3Confident86.9Confident14 Ų1458.2 Ų58.27%0.07331%0.307CS..Hα-helixtrans-67.7-40.9176179.761.6000111.1F183 L187 A222 E223 T252 K253 S258 I259F183-L255 HydrophobicContact CE2-CD2 4.06Å; F183-L255 HydrophobicContact CZ-CD2 3.82Å; L187-L255 HydrophobicContact CD2-CD2 4.25Å; A222-L255 HydrophobicContact CB-CD2 4.32Å; E223-L255 HydrophobicContact CB-CD1 3.97Å; E223-L255 HydrophobicContact CG-CD1 3.96Å; T252-L255 CarbonylContact O-C 3.56Å; T252-L255 WeakPolarHBondContact O-CA 3.44Å; T252-L255 WeakPolarHBondContact O-CB 3.47Å; T252-L255 PolarHBondContact O-N 3.37Å; K253-L255 VanDerWaalsContact C-N 3.32Å; K253-L255 PolarHBondContact O-N 2.87Å; L255-S258 PolarHBondContact O-N 2.82Å; L255-I259 HydrophobicContact CD1-CD1 4.24Å; L255-I259 HydrophobicContact CD1-CG1 4.38Å; L255-I259 HydrophobicContact CG-CD1 4.01Å; L255-I259 VanDerWaalsContact O-CG1 3.22Å; L255-I259 WeakPolarHBondContact O-CG1 3.43Å; L255-I259 PolarHBondContact O-N 2.99Å
256Q88.4Confident86.3Confident41 Ų4162.4 Ų62.419%0.19233%0.33CS..Hα-helixtrans-60-47.5174.7-67.3172.842.400110.6L243 A246 T252 K253 S258 I259 L260L243-Q256 HydrophobicContact CD1-CB 3.76Å; L243-Q256 HydrophobicContact CD1-CG 3.89Å; A246-Q256 HydrophobicContact CB-CG 3.91Å; T252-Q256 WeakPolarHBondContact O-CG 3.42Å; T252-Q256 PolarHBondContact O-N 3.2Å; T252-Q256 PolarHBondContact OG1-NE2 3.39Å; K253-Q256 WeakPolarHBondContact O-CB 3.47Å; K253-Q256 PolarHBondContact O-N 3.02Å; Q256-S258 VanDerWaalsContact C-N 3.3Å; Q256-S258 PolarHBondContact O-N 3.37Å; Q256-I259 PolarHBondContact O-N 3.42Å; Q256-L260 WeakPolarHBondContact O-CB 3.47Å; Q256-L260 WeakPolarHBondContact O-CD1 3.15Å; Q256-L260 WeakPolarHBondContact O-CG 3.34Å; Q256-L260 PolarHBondContact O-N 2.86Å
257D86.3Confident85.8Confident93 Ų9363.5 Ų63.550%0.49734%0.335SS..Hα-helixtrans-60.2-40.6178.1-68.5-26.3000111.7K253 E254 L260 Q261K253-D257 VanDerWaalsContact O-CG 3.32Å; K253-D257 PolarHBondContact O-N 2.88Å; E254-D257 PolarHBondContact O-N 2.89Å; D257-L260 PolarHBondContact O-N 3.09Å; D257-Q261 WeakPolarHBondContact O-CG 3.37Å; D257-Q261 PolarHBondContact O-N 3.04Å
258S87.1Confident85Confident46 Ų4663.5 Ų63.532%0.32233%0.329SS..Hα-helixtrans-64-45.5174.9-1790000112.6E254 L255 Q256 L260 Q261 D262E254-S258 PolarHBondContact O-N 2.92Å; L255-S258 PolarHBondContact O-N 2.82Å; Q256-S258 VanDerWaalsContact C-N 3.3Å; Q256-S258 PolarHBondContact O-N 3.37Å; S258-L260 PolarHBondContact O-N 3.38Å; S258-Q261 PolarHBondContact O-N 2.84Å; S258-D262 WeakPolarHBondContact O-CB 3.48Å; S258-D262 PolarHBondContact O-N 3.34Å
259I88.3Confident84.3Confident0 Ų067.4 Ų67.40%035%0.346CS..Hα-helixtrans-62.5-35176.9-65.7170000110.8F183 Y226 V239 L243 L255 Q256 D262 L263F183-I259 HydrophobicContact CZ-CD1 4.41Å; Y226-I259 HydrophobicContact CD1-CG1 4.34Å; Y226-I259 HydrophobicContact CD2-CD1 3.95Å; Y226-I259 HydrophobicContact CD2-CG1 3.88Å; Y226-I259 HydrophobicContact CE1-CG1 4.08Å; Y226-I259 HydrophobicContact CE2-CB 4.24Å; Y226-I259 HydrophobicContact CE2-CD1 4Å; Y226-I259 HydrophobicContact CE2-CG1 3.58Å; Y226-I259 HydrophobicContact CE2-CG2 3.83Å; Y226-I259 HydrophobicContact CG-CD1 4.49Å; Y226-I259 HydrophobicContact CG-CG1 4.26Å; V239-I259 HydrophobicContact CG1-CG2 3.76Å; L243-I259 HydrophobicContact CB-CG2 3.95Å; L243-I259 HydrophobicContact CD1-CB 4.19Å; L243-I259 HydrophobicContact CD1-CG2 4.13Å; L243-I259 HydrophobicContact CG-CG2 4.49Å; L255-I259 HydrophobicContact CD1-CD1 4.24Å; L255-I259 HydrophobicContact CD1-CG1 4.38Å; L255-I259 HydrophobicContact CG-CD1 4.01Å; L255-I259 VanDerWaalsContact O-CG1 3.22Å; L255-I259 WeakPolarHBondContact O-CG1 3.43Å; L255-I259 PolarHBondContact O-N 2.99Å; Q256-I259 PolarHBondContact O-N 3.42Å; I259-D262 WeakPolarHBondContact O-CB 3.5Å; I259-D262 PolarHBondContact O-N 3.27Å; I259-L263 HydrophobicContact CG2-CD1 4.46Å; I259-L263 PolarHBondContact O-N 2.87Å
260L85.7Confident83.9Confident17 Ų1769.1 Ų69.19%0.08936%0.355CS..Hα-helixtrans-71-42.4179-73.3165.3000113L243 Q256 D257 S258 D262 L263 Q264 F276 M277 R280L243-L260 HydrophobicContact CD1-CG 4.18Å; L243-L260 HydrophobicContact CD2-CD2 3.39Å; L243-L260 HydrophobicContact CD2-CG 3.97Å; Q256-L260 WeakPolarHBondContact O-CB 3.47Å; Q256-L260 WeakPolarHBondContact O-CD1 3.15Å; Q256-L260 WeakPolarHBondContact O-CG 3.34Å; Q256-L260 PolarHBondContact O-N 2.86Å; D257-L260 PolarHBondContact O-N 3.09Å; S258-L260 PolarHBondContact O-N 3.38Å; L260-D262 PolarHBondContact O-N 2.84Å; L260-L263 PolarHBondContact O-N 3.21Å; L260-Q264 WeakPolarHBondContact O-CG 3.38Å; L260-Q264 PolarHBondContact O-N 3.11Å; L260-F276 HydrophobicContact CD2-CE1 4.26Å; L260-M277 HydrophobicContact CD2-SD 3.91Å; L260-R280 VanDerWaalsContact CG-NH1 3.34Å
261Q85.9Confident83.6Confident130 Ų13062.5 Ų62.561%0.60732%0.321SS*.Hα-helixtrans-60.5-39.5171.9-71.8173.19.200110.9D257 S258 Q264 A265D257-Q261 WeakPolarHBondContact O-CG 3.37Å; D257-Q261 PolarHBondContact O-N 3.04Å; S258-Q261 PolarHBondContact O-N 2.84Å; Q261-Q264 PolarHBondContact O-N 3.31Å; Q261-A265 WeakPolarHBondContact O-CB 3.5Å; Q261-A265 PolarHBondContact O-N 3.48Å
262D85.6Confident83.4Confident35 Ų3563 Ų6319%0.18733%0.325CS..Hα-helixtrans-64.4-44.8176.3-165.630.8000111.9Y226 S258 I259 L260 Q264 A265 N266Y226-D262 WeakPolarHBondContact CE1-OD2 3.48Å; Y226-D262 PolarHBondContact OH-OD2 3.33Å; S258-D262 WeakPolarHBondContact O-CB 3.48Å; S258-D262 PolarHBondContact O-N 3.34Å; I259-D262 WeakPolarHBondContact O-CB 3.5Å; I259-D262 PolarHBondContact O-N 3.27Å; L260-D262 PolarHBondContact O-N 2.84Å; D262-Q264 VanDerWaalsContact C-N 3.34Å; D262-Q264 PolarHBondContact O-N 3.33Å; D262-A265 PolarHBondContact O-N 3.43Å; D262-N266 WeakPolarHBondContact O-CB 3.22Å; D262-N266 PolarHBondContact O-N 3.39Å; D262-N266 PolarHBondContact OD1-ND2 3.45Å
263L84.4Confident83.1Confident0 Ų063 Ų630%033%0.325CS..Hα-helixtrans-57.4-43.9172.7-107.8152.5000112.4A236 V239 I240 I259 L260 H267 T273A236-L263 HydrophobicContact CB-CD2 4.35Å; V239-L263 HydrophobicContact CB-CD1 4.33Å; V239-L263 HydrophobicContact CB-CG 4.35Å; V239-L263 HydrophobicContact CG1-CD1 3.64Å; V239-L263 HydrophobicContact CG1-CG 3.75Å; I240-L263 HydrophobicContact CG1-CD1 3.98Å; I240-L263 HydrophobicContact CG1-CD2 4.18Å; I259-L263 HydrophobicContact CG2-CD1 4.46Å; I259-L263 PolarHBondContact O-N 2.87Å; L260-L263 PolarHBondContact O-N 3.21Å; L263-H267 HydrophobicContact CD2-CB 4.06Å; L263-H267 WeakPolarHBondContact O-CB 3.37Å; L263-H267 PolarHBondContact O-N 3.27Å; L263-H267 VanDerWaalsContact O-N 3.08Å; L263-T273 HydrophobicContact CD2-CG2 3.51Å
264Q81.6Confident82.9Confident108 Ų10857.9 Ų57.951%0.50530%0.302SS..Hα-helixtrans-72.2-24.8178.7-73.8-179.3-28.700113.8L260 Q261 D262 T268 M277L260-Q264 WeakPolarHBondContact O-CG 3.38Å; L260-Q264 PolarHBondContact O-N 3.11Å; Q261-Q264 PolarHBondContact O-N 3.31Å; D262-Q264 VanDerWaalsContact C-N 3.34Å; D262-Q264 PolarHBondContact O-N 3.33Å; Q264-T268 WeakPolarHBondContact O-CG2 3.39Å; Q264-M277 HydrophobicContact CG-CE 4.13Å; Q264-M277 VanDerWaalsContact NE2-CE 3.26Å
265A82.5Confident82.7Confident69 Ų6951 Ų5157%0.5727%0.27SS*.Hα-helixtrans-88.1-40.3178.800000112.1Q261 D262Q261-A265 WeakPolarHBondContact O-CB 3.5Å; Q261-A265 PolarHBondContact O-N 3.48Å; D262-A265 PolarHBondContact O-N 3.43Å
266N79.8Confident82.4Confident108 Ų10852 Ų5258%0.57827%0.274SS*.Hα-helixtrans-111.1-13.6-164.8-68.1-30.4000114.7D262D262-N266 WeakPolarHBondContact O-CB 3.22Å; D262-N266 PolarHBondContact O-N 3.39Å; D262-N266 PolarHBondContact OD1-ND2 3.45Å
267H78.6Confident82Confident23 Ų2350.7 Ų50.711%0.10627%0.268CS..  trans-127.826.1-175.3-61.4-63000113.9K234 A236 L263 E269 D270 T273K234-H267 PolarHBondContact O-CE1 3.28Å; K234-H267 PolarHBondContact O-ND1 3.06Å; A236-H267 HydrophobicContact CB-CB 4.01Å; L263-H267 HydrophobicContact CD2-CB 4.06Å; L263-H267 WeakPolarHBondContact O-CB 3.37Å; L263-H267 PolarHBondContact O-N 3.27Å; L263-H267 VanDerWaalsContact O-N 3.08Å; H267-E269 PolarHBondContact O-N 2.72Å; H267-D270 PolarHBondContact O-N 2.78Å; H267-T273 HydrophobicContact CB-CG2 4.45Å; H267-T273 WeakPolarHBondContact CB-OG1 3.4Å; H267-T273 VanDerWaalsContact O-CB 3.24Å; H267-T273 WeakPolarHBondContact O-CB 3.27Å; H267-T273 PolarHBondContact O-OG1 3.15Å
268T73.9Confident81.8Confident52 Ų5246.2 Ų46.232%0.31924%0.244SC..THydrogen-bonded Turntrans-63.7-21175.353.10000113Q264 D270 W274 L319Q264-T268 WeakPolarHBondContact O-CG2 3.39Å; T268-D270 VanDerWaalsContact C-N 3.28Å; T268-D270 PolarHBondContact O-N 2.93Å; T268-W274 HydrophobicContact CG2-CZ2 4.47Å; T268-W274 PolarHBondContact O-NE1 2.68Å; T268-L319 WeakPolarHBondContact O-CD1 3.31Å
269E73.4Confident81.6Confident176 Ų17647.6 Ų47.682%0.82224%0.244SC*.THydrogen-bonded Turntrans-77.4-5.2177.2-65.2-174.7-17900114.2H267 L319H267-E269 PolarHBondContact O-N 2.72Å; E269-L319 HydrophobicContact CB-CD1 4.44Å; E269-L319 WeakPolarHBondContact O-CD1 3.26Å
270D79.4Confident81.2Confident48 Ų4851.2 Ų51.226%0.25726%0.258SS..  trans-105.2126178.6-165.2-13.9000111.6A236 H267 T268 L272 T273A236-D270 HydrophobicContact CB-CB 4Å; A236-D270 VanDerWaalsContact CB-OD2 3.3Å; A236-D270 WeakPolarHBondContact CB-OD2 3.36Å; H267-D270 PolarHBondContact O-N 2.78Å; T268-D270 VanDerWaalsContact C-N 3.28Å; T268-D270 PolarHBondContact O-N 2.93Å; D270-L272 PolarHBondContact O-N 3.18Å; D270-L272 WeakPolarHBondContact OD1-CB 3.33Å; D270-L272 PolarHBondContact OD1-N 2.93Å; D270-T273 WeakPolarHBondContact O-CB 3.39Å; D270-T273 PolarHBondContact O-N 3.06Å; D270-T273 VanDerWaalsContact O-N 3.12Å
271S80.4Confident80.9Confident8 Ų852.6 Ų52.66%0.05626%0.264CS..Hα-helixtrans-58.2-28.4172.5173.30000112.6D275 P323 M324 R327S271-D275 WeakPolarHBondContact O-CB 3.2Å; S271-D275 PolarHBondContact O-N 3.38Å; S271-P323 PolarHBondContact OG-O 3.03Å; S271-M324 WeakPolarHBondContact OG-CA 3.44Å; S271-M324 PolarHBondContact OG-N 3.49Å; S271-R327 WeakPolarHBondContact O-CD 3.39Å; S271-R327 WeakPolarHBondContact OG-CD 3.4Å; S271-R327 PolarHBondContact OG-NE 3Å
272L81.6Confident80.5Confident47 Ų4747.3 Ų47.325%0.24624%0.24CC..Hα-helixtrans-63.3-41.3174.5-79.3160000112.8E237 D270 D275 F276E237-L272 HydrophobicContact CB-CD1 4.32Å; D270-L272 PolarHBondContact O-N 3.18Å; D270-L272 WeakPolarHBondContact OD1-CB 3.33Å; D270-L272 PolarHBondContact OD1-N 2.93Å; L272-D275 PolarHBondContact O-N 3.38Å; L272-F276 WeakPolarHBondContact O-CB 3.44Å; L272-F276 PolarHBondContact O-N 3.29Å
273T82.1Confident79.9Confident3 Ų353.3 Ų53.32%0.01827%0.267CS..Hα-helixtrans-58.9-50.8-179.9-59.10000110.1A236 L263 H267 D270 D275 F276 M277A236-T273 WeakPolarHBondContact CB-OG1 3.28Å; L263-T273 HydrophobicContact CD2-CG2 3.51Å; H267-T273 HydrophobicContact CB-CG2 4.45Å; H267-T273 WeakPolarHBondContact CB-OG1 3.4Å; H267-T273 VanDerWaalsContact O-CB 3.24Å; H267-T273 WeakPolarHBondContact O-CB 3.27Å; H267-T273 PolarHBondContact O-OG1 3.15Å; D270-T273 WeakPolarHBondContact O-CB 3.39Å; D270-T273 PolarHBondContact O-N 3.06Å; D270-T273 VanDerWaalsContact O-N 3.12Å; T273-D275 PolarHBondContact O-N 3.22Å; T273-F276 PolarHBondContact O-N 2.9Å; T273-M277 HydrophobicContact CG2-CG 4.44Å; T273-M277 VanDerWaalsContact O-CG 3.22Å; T273-M277 WeakPolarHBondContact O-CG 3.42Å; T273-M277 PolarHBondContact O-N 2.92Å
274W81.6Confident79.2Confident38 Ų3854.4 Ų54.414%0.14428%0.276CS..Hα-helixtrans-63.8-40.3-180-68.5104.3000112.9T268 M277 A278 V311 E314 S318 M324T268-W274 HydrophobicContact CG2-CZ2 4.47Å; T268-W274 PolarHBondContact O-NE1 2.68Å; W274-M277 PolarHBondContact O-N 3.44Å; W274-A278 VanDerWaalsContact O-CB 3.24Å; W274-A278 WeakPolarHBondContact O-CB 3.41Å; W274-A278 PolarHBondContact O-N 3.35Å; W274-V311 HydrophobicContact CE3-CG1 3.95Å; W274-V311 HydrophobicContact CZ3-CG1 4.36Å; W274-E314 HydrophobicContact CH2-CB 4.42Å; W274-E314 HydrophobicContact CZ3-CB 4.06Å; W274-S318 VanDerWaalsContact CZ2-OG 3.24Å; W274-S318 WeakPolarHBondContact CZ2-OG 3.46Å; W274-M324 HydrophobicContact CB-CE 3.64Å; W274-M324 HydrophobicContact CB-SD 3.86Å; W274-M324 HydrophobicContact CG-CE 4.09Å; W274-M324 HydrophobicContact CG-SD 4.37Å
275D82.6Confident78.4Confident14 Ų1455.2 Ų55.28%0.07529%0.29CS..Hα-helixtrans-63.7-40.5175.8-179.757.7000112.7S271 L272 T273 K279 Y312 R327S271-D275 WeakPolarHBondContact O-CB 3.2Å; S271-D275 PolarHBondContact O-N 3.38Å; L272-D275 PolarHBondContact O-N 3.38Å; T273-D275 PolarHBondContact O-N 3.22Å; D275-K279 WeakPolarHBondContact O-CB 3.3Å; D275-K279 VanDerWaalsContact O-CG 3.29Å; D275-K279 WeakPolarHBondContact O-CG 3.1Å; D275-K279 PolarHBondContact O-N 2.89Å; D275-K279 VanDerWaalsContact OD1-CE 3.27Å; D275-K279 WeakPolarHBondContact OD1-CE 3.42Å; D275-K279 IonicContact OD1-NZ 3.82Å; D275-K279 PolarHBondContact OD1-NZ 2.95Å; D275-K279 IonicContact OD2-NZ 3.62Å; D275-K279 PolarHBondContact OD2-NZ 3.45Å; D275-Y312 HydrophobicContact CB-CE1 4.25Å; D275-Y312 PolarHBondContact OD1-OH 3.41Å; D275-R327 HydrophobicContact CB-CB 4.42Å; D275-R327 VanDerWaalsContact CB-CD 3.43Å; D275-R327 HydrophobicContact CB-CG 4.48Å; D275-R327 IonicContact OD2-NH1 2.69Å; D275-R327 PolarHBondContact OD2-NH1 3.4Å
276F81.1Confident77.3Confident37 Ų3752.9 Ų52.916%0.16227%0.273CS..Hα-helixtrans-65.1-48.2174.8177.2-95.3000111.6I240 L243 L260 L272 T273 A278 K279 R280I240-F276 HydrophobicContact CD1-CB 3.76Å; I240-F276 HydrophobicContact CD1-CG 4.03Å; I240-F276 HydrophobicContact CG1-CB 4.28Å; I240-F276 HydrophobicContact CG1-CD1 4.2Å; I240-F276 HydrophobicContact CG1-CD2 4.36Å; I240-F276 HydrophobicContact CG1-CG 4Å; I240-F276 HydrophobicContact CG2-CD2 3.46Å; I240-F276 VanDerWaalsContact CG2-CD2 3.46Å; I240-F276 HydrophobicContact CG2-CE2 3.62Å; I240-F276 HydrophobicContact CG2-CG 3.98Å; I240-F276 HydrophobicContact CG2-CZ 4.28Å; L243-F276 HydrophobicContact CD2-CE1 3.36Å; L243-F276 HydrophobicContact CD2-CZ 3.48Å; L243-F276 VanDerWaalsContact CD2-CZ 3.48Å; L243-F276 HydrophobicContact CG-CZ 4.4Å; L260-F276 HydrophobicContact CD2-CE1 4.26Å; L272-F276 WeakPolarHBondContact O-CB 3.44Å; L272-F276 PolarHBondContact O-N 3.29Å; T273-F276 PolarHBondContact O-N 2.9Å; F276-A278 VanDerWaalsContact C-N 3.32Å; F276-A278 PolarHBondContact O-N 2.96Å; F276-K279 PolarHBondContact O-N 2.92Å; F276-R280 PolarHBondContact O-N 3.38Å
277M80.9Confident76.3Confident12 Ų1251.5 Ų51.56%0.05927%0.268CS..Hα-helixtrans-59.4-43.4178.1-68.1-60.2-64.900111.6L260 Q264 T273 W274 R280 E281 V311L260-M277 HydrophobicContact CD2-SD 3.91Å; Q264-M277 HydrophobicContact CG-CE 4.13Å; Q264-M277 VanDerWaalsContact NE2-CE 3.26Å; T273-M277 HydrophobicContact CG2-CG 4.44Å; T273-M277 VanDerWaalsContact O-CG 3.22Å; T273-M277 WeakPolarHBondContact O-CG 3.42Å; T273-M277 PolarHBondContact O-N 2.92Å; W274-M277 PolarHBondContact O-N 3.44Å; M277-R280 VanDerWaalsContact CE-NH2 3.28Å; M277-R280 PolarHBondContact O-N 2.93Å; M277-E281 PolarHBondContact O-N 3.37Å; M277-V311 HydrophobicContact CB-CG1 3.9Å
278A82.2Confident75.1Confident0 Ų056.7 Ų56.70%030%0.296CS..Hα-helixtrans-64.3-42.1177.600000111.8W274 F276 R280 E281 C308 V311 Y312W274-A278 VanDerWaalsContact O-CB 3.24Å; W274-A278 WeakPolarHBondContact O-CB 3.41Å; W274-A278 PolarHBondContact O-N 3.35Å; F276-A278 VanDerWaalsContact C-N 3.32Å; F276-A278 PolarHBondContact O-N 2.96Å; A278-R280 VanDerWaalsContact C-N 3.34Å; A278-R280 PolarHBondContact O-N 3Å; A278-E281 PolarHBondContact O-N 3.45Å; A278-C308 VanDerWaalsContact C-SG 3.54Å; A278-C308 WeakPolarHBondContact O-CB 3.31Å; A278-C308 PolarHBondContact O-SG 3.15Å; A278-V311 HydrophobicContact CB-CB 4.02Å; A278-V311 HydrophobicContact CB-CG1 3.94Å; A278-Y312 HydrophobicContact CB-CD1 4.38Å; A278-Y312 HydrophobicContact CB-CD2 3.67Å; A278-Y312 HydrophobicContact CB-CE1 4.12Å; A278-Y312 HydrophobicContact CB-CE2 3.37Å; A278-Y312 HydrophobicContact CB-CG 4.17Å
279K82.9Confident74Confident75 Ų7562.6 Ų62.633%0.32632%0.32SS..Hα-helixtrans-65.9-35.4178.6-78169.8179.4162.50112.7D275 F276 E281 L282D275-K279 WeakPolarHBondContact O-CB 3.3Å; D275-K279 VanDerWaalsContact O-CG 3.29Å; D275-K279 WeakPolarHBondContact O-CG 3.1Å; D275-K279 PolarHBondContact O-N 2.89Å; D275-K279 VanDerWaalsContact OD1-CE 3.27Å; D275-K279 WeakPolarHBondContact OD1-CE 3.42Å; D275-K279 IonicContact OD1-NZ 3.82Å; D275-K279 PolarHBondContact OD1-NZ 2.95Å; D275-K279 IonicContact OD2-NZ 3.62Å; D275-K279 PolarHBondContact OD2-NZ 3.45Å; F276-K279 PolarHBondContact O-N 2.92Å; K279-E281 VanDerWaalsContact C-N 3.31Å; K279-E281 PolarHBondContact O-N 3.28Å; K279-L282 VanDerWaalsContact O-CB 3.26Å; K279-L282 WeakPolarHBondContact O-CB 3.18Å; K279-L282 PolarHBondContact O-N 3.47Å; K279-L282 VanDerWaalsContact O-N 3.08Å
280R79.6Confident73Confident75 Ų7556.9 Ų56.928%0.28329%0.294SS..Hα-helixtrans-62-36.9177.8-167.7-172.467.9-1681.9112.8L260 F276 M277 A278 L282 E283 A284L260-R280 VanDerWaalsContact CG-NH1 3.34Å; F276-R280 PolarHBondContact O-N 3.38Å; M277-R280 VanDerWaalsContact CE-NH2 3.28Å; M277-R280 PolarHBondContact O-N 2.93Å; A278-R280 VanDerWaalsContact C-N 3.34Å; A278-R280 PolarHBondContact O-N 3Å; R280-L282 PolarHBondContact O-N 3.35Å; R280-L282 VanDerWaalsContact O-N 3.11Å; R280-E283 PolarHBondContact O-N 3.03Å; R280-A284 PolarHBondContact O-N 3.32Å
281E78.4Confident72.1Confident47 Ų4757.2 Ų57.222%0.2230%0.295CS..Hα-helixtrans-60.7-21.7175.8-68.4-56.613300113.2M277 A278 K279 A284 R307 V311M277-E281 PolarHBondContact O-N 3.37Å; A278-E281 PolarHBondContact O-N 3.45Å; K279-E281 VanDerWaalsContact C-N 3.31Å; K279-E281 PolarHBondContact O-N 3.28Å; E281-A284 WeakPolarHBondContact O-CB 3.47Å; E281-R307 HydrophobicContact CB-CB 4.3Å; E281-V311 HydrophobicContact CG-CG2 4.09Å
282L77.1Confident71.1Confident19 Ų1964.3 Ų64.310%0.09933%0.327CS..Hα-helixtrans-77.9-29.5176-56.4164.6000112.5K279 R280 A284 R304 E305 C308 F331K279-L282 VanDerWaalsContact O-CB 3.26Å; K279-L282 WeakPolarHBondContact O-CB 3.18Å; K279-L282 PolarHBondContact O-N 3.47Å; K279-L282 VanDerWaalsContact O-N 3.08Å; R280-L282 PolarHBondContact O-N 3.35Å; R280-L282 VanDerWaalsContact O-N 3.11Å; L282-A284 VanDerWaalsContact C-N 3.32Å; L282-R304 HydrophobicContact CD2-CB 4.27Å; L282-R304 VanDerWaalsContact O-CD 3.32Å; L282-R304 WeakPolarHBondContact O-CD 3.4Å; L282-R304 PolarHBondContact O-NH1 2.84Å; L282-R304 VanDerWaalsContact O-NH1 3.14Å; L282-E305 HydrophobicContact CD2-CG 3.98Å; L282-C308 HydrophobicContact CD1-CB 4.39Å; L282-C308 HydrophobicContact CD2-CB 3.66Å; L282-C308 HydrophobicContact CG-CB 3.92Å; L282-F331 HydrophobicContact CD1-CD2 4.38Å; L282-F331 HydrophobicContact CD1-CE2 3.48Å; L282-F331 VanDerWaalsContact CD1-CE2 3.48Å; L282-F331 HydrophobicContact CD1-CZ 4.18Å; L282-F331 HydrophobicContact CD2-CE2 4.42Å; L282-F331 HydrophobicContact CD2-CZ 4.35Å
283E73.1Confident70.7Confident161 Ų16166.1 Ų66.175%0.75234%0.341SS*.Hα-helixtrans-85.1-8.5-179.4-62.9-178.7176.200112.4R280R280-E283 PolarHBondContact O-N 3.03Å
284A70.9Confident70.1Confident23 Ų2369.5 Ų69.519%0.1937%0.368CS..SBendtrans-51.6137.6175.100000111.4R280 E281 L282 G286 R304R280-A284 PolarHBondContact O-N 3.32Å; E281-A284 WeakPolarHBondContact O-CB 3.47Å; L282-A284 VanDerWaalsContact C-N 3.32Å; A284-G286 PolarHBondContact O-N 2.96Å; A284-R304 PolarHBondContact O-NH1 3.37Å
285P63.7Low69.7Low125 Ų12574.9 Ų74.981%0.81239%0.393SS*.PPolyproline II helixtrans-59139.3-179.223.1-31.8000110.8
286G60.9Low69.3Low20 Ų2074.7 Ų74.721%0.20639%0.394CS..PPolyproline II helixtrans-74157.9178.700000111.3A284 D288A284-G286 PolarHBondContact O-N 2.96Å; G286-D288 PolarHBondContact O-N 3.39Å
287V58.1Low69Low78 Ų7879.4 Ų79.447%0.47341%0.411SS..  trans-77.1113.9171.6-173.10000107.7E289 E290V287-E289 PolarHBondContact O-N 3.01Å; V287-E289 VanDerWaalsContact O-N 3.1Å; V287-E290 PolarHBondContact O-N 3.3Å
288D54.3Low68.7Low132 Ų13279.3 Ų79.371%0.70641%0.412SS*.G310 helixtrans-53.7-33.1-168.9-89.1-31.8000114.3G286 E290G286-D288 PolarHBondContact O-N 3.39Å; D288-E290 VanDerWaalsContact C-N 3.33Å; D288-E290 PolarHBondContact O-N 3.28Å
289E50.5Low68.6Low176 Ų17682.9 Ų82.982%0.82243%0.431SS*.G310 helixtrans-69.5-24-175.6-66.3-177.7164.700114V287V287-E289 PolarHBondContact O-N 3.01Å; V287-E289 VanDerWaalsContact O-N 3.1Å
290E51.3Low68.4Low56 Ų5679.5 Ų79.526%0.26242%0.416SS..G310 helixtrans-94.6-7.7-174.8-67.5-178.4172.300113.8V287 D288 H292 G296 R297 R303V287-E290 PolarHBondContact O-N 3.3Å; D288-E290 VanDerWaalsContact C-N 3.33Å; D288-E290 PolarHBondContact O-N 3.28Å; E290-H292 PolarHBondContact O-N 2.93Å; E290-G296 CarbonylContact O-C 3.19Å; E290-G296 WeakPolarHBondContact O-CA 3.36Å; E290-R297 PolarHBondContact O-N 2.87Å; E290-R303 IonicContact OE1-CZ 3.36Å; E290-R303 IonicContact OE1-NH1 2.78Å; E290-R303 PolarHBondContact OE1-NH1 3.06Å; E290-R303 IonicContact OE1-NH2 3.77Å; E290-R303 PolarHBondContact OE1-NH2 3.07Å; E290-R303 IonicContact OE2-CZ 2.81Å; E290-R303 IonicContact OE2-NH1 2.68Å; E290-R303 PolarHBondContact OE2-NH1 2.9Å
291L60.3Low68.5Low56 Ų5679.1 Ų79.129%0.29342%0.419SS..THydrogen-bonded Turntrans-82-8.3-171.9-67.2170.8000114.4T293 R297L291-T293 PolarHBondContact O-N 3.43Å; L291-R297 HydrophobicContact CD2-CG 4.09Å; L291-R297 WeakPolarHBondContact O-CG 3.31Å; L291-R297 PolarHBondContact O-NE 3.3Å
292H60.4Low68.7Low157 Ų15777.2 Ų77.273%0.72741%0.411SS*.THydrogen-bonded Turntrans-72.6-27.5-174.1-69.5-66.7000113.9E290E290-H292 PolarHBondContact O-N 2.93Å
293T73.2Confident69Low85 Ų8580.8 Ų80.852%0.52142%0.423SS..SBendtrans-109.9151.718069.10000112.4L291 K295 G296 R297L291-T293 PolarHBondContact O-N 3.43Å; T293-K295 PolarHBondContact O-N 2.92Å; T293-G296 PolarHBondContact O-N 3.33Å; T293-G296 PolarHBondContact OG1-N 2.9Å; T293-R297 WeakPolarHBondContact O-CG 3.48Å; T293-R297 PolarHBondContact O-N 3.44Å
294A68.4Low69.4Low73 Ų7375.2 Ų75.260%0.60340%0.395SS*.Hα-helixtrans-60.9-32.3176.800000112.8A298A294-A298 PolarHBondContact O-N 3.48Å
295K73.9Confident70.1Confident152 Ų15274.2 Ų74.266%0.66139%0.386SS*.Hα-helixtrans-72-42.8174.6-70.8-169.7176.3-167.30112.1T293 A298 L299T293-K295 PolarHBondContact O-N 2.92Å; K295-A298 PolarHBondContact O-N 3.34Å; K295-L299 PolarHBondContact O-N 3.45Å
296G74.1Confident71.1Confident10 Ų1071.7 Ų71.710%0.10336%0.363CS..Hα-helixtrans-63.7-41.7176.600000112.8E290 T293 A298 L299 D300E290-G296 CarbonylContact O-C 3.19Å; E290-G296 WeakPolarHBondContact O-CA 3.36Å; T293-G296 PolarHBondContact O-N 3.33Å; T293-G296 PolarHBondContact OG1-N 2.9Å; G296-A298 VanDerWaalsContact C-N 3.32Å; G296-A298 PolarHBondContact O-N 2.89Å; G296-L299 PolarHBondContact O-N 3.46Å; G296-D300 PolarHBondContact O-N 2.79Å
297R74.2Confident72.1Confident135 Ų13575.1 Ų75.151%0.50937%0.37SS..Hα-helixtrans-59.6-40.1171-65.5-179.9-149.8174.27.5112.7E290 L291 T293 I301E290-R297 PolarHBondContact O-N 2.87Å; L291-R297 HydrophobicContact CD2-CG 4.09Å; L291-R297 WeakPolarHBondContact O-CG 3.31Å; L291-R297 PolarHBondContact O-NE 3.3Å; T293-R297 WeakPolarHBondContact O-CG 3.48Å; T293-R297 PolarHBondContact O-N 3.44Å; R297-I301 WeakPolarHBondContact O-CB 3.44Å; R297-I301 WeakPolarHBondContact O-CD1 3.41Å; R297-I301 WeakPolarHBondContact O-CG1 3.36Å; R297-I301 PolarHBondContact O-N 2.99Å
298A75.1Confident73.5Confident10 Ų1071.4 Ų71.48%0.08335%0.348CS..Hα-helixtrans-68.7-35.8177.800000112.4A294 K295 G296 N302 V342 L345A294-A298 PolarHBondContact O-N 3.48Å; K295-A298 PolarHBondContact O-N 3.34Å; G296-A298 VanDerWaalsContact C-N 3.32Å; G296-A298 PolarHBondContact O-N 2.89Å; A298-N302 WeakPolarHBondContact O-CB 3.44Å; A298-N302 PolarHBondContact O-N 3.4Å; A298-V342 HydrophobicContact CB-CB 3.94Å; A298-V342 HydrophobicContact CB-CG1 4.16Å; A298-V342 HydrophobicContact CB-CG2 3.54Å; A298-L345 HydrophobicContact CB-CD2 3.93Å
299L79.8Confident74.9Confident76 Ų7665.5 Ų65.540%0.39832%0.317SS..Hα-helixtrans-66.7-44.6175.1-175.267.1000111.8K295 G296 N302 R303K295-L299 PolarHBondContact O-N 3.45Å; G296-L299 PolarHBondContact O-N 3.46Å; L299-N302 WeakPolarHBondContact O-CB 3.35Å; L299-N302 PolarHBondContact O-N 2.78Å; L299-R303 WeakPolarHBondContact O-CG 3.45Å; L299-R303 PolarHBondContact O-N 3.12Å
300D79.4Confident76.7Confident4 Ų462.6 Ų62.62%0.02130%0.303CS..Hα-helixtrans-61.1-45.1175.4-17953.8000111.1G296 N302 R303 R304G296-D300 PolarHBondContact O-N 2.79Å; D300-N302 VanDerWaalsContact C-N 3.32Å; D300-N302 PolarHBondContact O-N 3.12Å; D300-R303 PolarHBondContact O-N 3.39Å; D300-R304 WeakPolarHBondContact O-CG 3.35Å; D300-R304 PolarHBondContact O-N 3.09Å; D300-R304 IonicContact OD1-NE 2.95Å; D300-R304 IonicContact OD2-CZ 3.79Å; D300-R304 VanDerWaalsContact OD2-CZ 3.23Å; D300-R304 IonicContact OD2-NE 3.9Å; D300-R304 PolarHBondContact OD2-NE 3.17Å; D300-R304 IonicContact OD2-NH2 3.36Å; D300-R304 PolarHBondContact OD2-NH2 3.07Å
301I81.3Confident78.3Confident67 Ų6761 Ų6134%0.34430%0.297SS..Hα-helixtrans-58.2-44.5173.7-70.1165.8000111.1R297 R303 R304 E305 L345R297-I301 WeakPolarHBondContact O-CB 3.44Å; R297-I301 WeakPolarHBondContact O-CD1 3.41Å; R297-I301 WeakPolarHBondContact O-CG1 3.36Å; R297-I301 PolarHBondContact O-N 2.99Å; I301-R303 PolarHBondContact O-N 3.42Å; I301-R304 PolarHBondContact O-N 3.36Å; I301-E305 HydrophobicContact CG2-CG 4.36Å; I301-E305 WeakPolarHBondContact CG2-OE1 3.45Å; I301-E305 WeakPolarHBondContact O-CB 3.49Å; I301-E305 WeakPolarHBondContact O-CG 3.41Å; I301-E305 PolarHBondContact O-N 2.75Å; I301-L345 HydrophobicContact CB-CD2 4.4Å; I301-L345 HydrophobicContact CG2-CD2 4.07Å
302N82.8Confident79.5Confident7 Ų758.3 Ų58.34%0.03728%0.283CS..Hα-helixtrans-60.9-45177.5-173.359.1000111.8A298 L299 D300 R304 E305 E306 L345 K348A298-N302 WeakPolarHBondContact O-CB 3.44Å; A298-N302 PolarHBondContact O-N 3.4Å; L299-N302 WeakPolarHBondContact O-CB 3.35Å; L299-N302 PolarHBondContact O-N 2.78Å; D300-N302 VanDerWaalsContact C-N 3.32Å; D300-N302 PolarHBondContact O-N 3.12Å; N302-R304 VanDerWaalsContact C-N 3.33Å; N302-R304 PolarHBondContact O-N 2.97Å; N302-E305 PolarHBondContact O-N 3.43Å; N302-E306 PolarHBondContact ND2-OE1 3.16Å; N302-E306 WeakPolarHBondContact O-CG 3.38Å; N302-E306 PolarHBondContact O-N 3.43Å; N302-L345 HydrophobicContact CB-CD1 3.85Å; N302-K348 PolarHBondContact ND2-NZ 3.31Å
303R83Confident80.7Confident93 Ų9352.8 Ų52.835%0.35126%0.258SS..Hα-helixtrans-60.8-41.3178.4-74.2176.9177.3165.91.4111.8E290 L299 D300 I301 E306 R307E290-R303 IonicContact OE1-CZ 3.36Å; E290-R303 IonicContact OE1-NH1 2.78Å; E290-R303 PolarHBondContact OE1-NH1 3.06Å; E290-R303 IonicContact OE1-NH2 3.77Å; E290-R303 PolarHBondContact OE1-NH2 3.07Å; E290-R303 IonicContact OE2-CZ 2.81Å; E290-R303 IonicContact OE2-NH1 2.68Å; E290-R303 PolarHBondContact OE2-NH1 2.9Å; L299-R303 WeakPolarHBondContact O-CG 3.45Å; L299-R303 PolarHBondContact O-N 3.12Å; D300-R303 PolarHBondContact O-N 3.39Å; I301-R303 PolarHBondContact O-N 3.42Å; R303-E306 PolarHBondContact O-N 3.49Å; R303-R307 PolarHBondContact O-N 2.95Å; R303-R307 VanDerWaalsContact O-N 3.07Å
304R82.1Confident81.2Confident44 Ų4453.9 Ų53.917%0.16626%0.257CS..Hα-helixtrans-67.6-41.1175.7-64.9-174.1-151.6-169.21111.8L282 A284 D300 I301 N302 E306 R307 C308L282-R304 HydrophobicContact CD2-CB 4.27Å; L282-R304 VanDerWaalsContact O-CD 3.32Å; L282-R304 WeakPolarHBondContact O-CD 3.4Å; L282-R304 PolarHBondContact O-NH1 2.84Å; L282-R304 VanDerWaalsContact O-NH1 3.14Å; A284-R304 PolarHBondContact O-NH1 3.37Å; D300-R304 WeakPolarHBondContact O-CG 3.35Å; D300-R304 PolarHBondContact O-N 3.09Å; D300-R304 IonicContact OD1-NE 2.95Å; D300-R304 IonicContact OD2-CZ 3.79Å; D300-R304 VanDerWaalsContact OD2-CZ 3.23Å; D300-R304 IonicContact OD2-NE 3.9Å; D300-R304 PolarHBondContact OD2-NE 3.17Å; D300-R304 IonicContact OD2-NH2 3.36Å; D300-R304 PolarHBondContact OD2-NH2 3.07Å; I301-R304 PolarHBondContact O-N 3.36Å; N302-R304 VanDerWaalsContact C-N 3.33Å; N302-R304 PolarHBondContact O-N 2.97Å; R304-E306 VanDerWaalsContact C-N 3.32Å; R304-E306 PolarHBondContact O-N 3.24Å; R304-R307 PolarHBondContact O-N 2.71Å; R304-C308 WeakPolarHBondContact O-CB 3.43Å; R304-C308 PolarHBondContact O-N 3.3Å
305E85.1Confident81.9Confident3 Ų350.4 Ų50.41%0.01423%0.228CC..Hα-helixtrans-63.6-37.1175.1-74176-174.400111.8L282 I301 N302 C308 C309 R335 R349 R352L282-E305 HydrophobicContact CD2-CG 3.98Å; I301-E305 HydrophobicContact CG2-CG 4.36Å; I301-E305 WeakPolarHBondContact CG2-OE1 3.45Å; I301-E305 WeakPolarHBondContact O-CB 3.49Å; I301-E305 WeakPolarHBondContact O-CG 3.41Å; I301-E305 PolarHBondContact O-N 2.75Å; N302-E305 PolarHBondContact O-N 3.43Å; E305-C308 WeakPolarHBondContact O-CB 3.31Å; E305-C308 PolarHBondContact O-N 2.95Å; E305-C309 PolarHBondContact O-N 3.02Å; E305-C309 PolarHBondContact O-SG 3.32Å; E305-R335 WeakPolarHBondContact OE1-CD 3.42Å; E305-R335 IonicContact OE1-NH1 3.85Å; E305-R349 IonicContact OE1-CZ 3.3Å; E305-R349 IonicContact OE1-NE 3.61Å; E305-R349 PolarHBondContact OE1-NE 3.36Å; E305-R349 IonicContact OE1-NH2 3.93Å; E305-R349 PolarHBondContact OE1-NH2 3.18Å; E305-R349 IonicContact OE2-CZ 3.76Å; E305-R349 IonicContact OE2-NE 2.72Å; E305-R349 PolarHBondContact OE2-NE 3.18Å; E305-R349 IonicContact OE2-NH2 2.74Å; E305-R352 VanDerWaalsContact C-NH1 3.27Å; E305-R352 PolarHBondContact O-NH1 3.02Å; E305-R352 VanDerWaalsContact O-NH1 3.15Å
306E84.4Confident82.5Confident71 Ų7143.8 Ų43.833%0.33220%0.2SC..Hα-helixtrans-63.9-46.9173.3-76.7169.9-17500112.3N302 R303 R304 C308 C309 Q310 R352N302-E306 PolarHBondContact ND2-OE1 3.16Å; N302-E306 WeakPolarHBondContact O-CG 3.38Å; N302-E306 PolarHBondContact O-N 3.43Å; R303-E306 PolarHBondContact O-N 3.49Å; R304-E306 VanDerWaalsContact C-N 3.32Å; R304-E306 PolarHBondContact O-N 3.24Å; E306-C308 VanDerWaalsContact C-N 3.32Å; E306-C308 PolarHBondContact O-N 3.48Å; E306-C309 PolarHBondContact O-N 2.95Å; E306-Q310 WeakPolarHBondContact O-CG 3.46Å; E306-Q310 PolarHBondContact O-N 2.92Å; E306-R352 VanDerWaalsContact CG-NH2 3.25Å; E306-R352 IonicContact OE1-NH2 3.47Å
307R83.6Confident83Confident93 Ų9351.8 Ų51.835%0.35123%0.232SC..Hα-helixtrans-59-43.8174.4-73.6-175.2-117170-4.1112E281 R303 R304 C309 Q310 V311E281-R307 HydrophobicContact CB-CB 4.3Å; R303-R307 PolarHBondContact O-N 2.95Å; R303-R307 VanDerWaalsContact O-N 3.07Å; R304-R307 PolarHBondContact O-N 2.71Å; R307-C309 VanDerWaalsContact C-N 3.34Å; R307-C309 PolarHBondContact O-N 3.1Å; R307-Q310 WeakPolarHBondContact O-CB 3.39Å; R307-Q310 PolarHBondContact O-N 3.26Å; R307-V311 PolarHBondContact O-N 2.93Å; R307-V311 VanDerWaalsContact O-N 3.14Å
308C85.6Confident83.3Confident0 Ų048.7 Ų48.70%023%0.231CC..Hα-helixtrans-57.9-45.5174.7179.50000111.9A278 L282 R304 E305 E306 Q310 V311 Y312 F331A278-C308 VanDerWaalsContact C-SG 3.54Å; A278-C308 WeakPolarHBondContact O-CB 3.31Å; A278-C308 PolarHBondContact O-SG 3.15Å; L282-C308 HydrophobicContact CD1-CB 4.39Å; L282-C308 HydrophobicContact CD2-CB 3.66Å; L282-C308 HydrophobicContact CG-CB 3.92Å; R304-C308 WeakPolarHBondContact O-CB 3.43Å; R304-C308 PolarHBondContact O-N 3.3Å; E305-C308 WeakPolarHBondContact O-CB 3.31Å; E305-C308 PolarHBondContact O-N 2.95Å; E306-C308 VanDerWaalsContact C-N 3.32Å; E306-C308 PolarHBondContact O-N 3.48Å; C308-Q310 PolarHBondContact O-N 3.44Å; C308-V311 PolarHBondContact O-N 3.25Å; C308-Y312 VanDerWaalsContact O-CD2 3.3Å; C308-Y312 WeakPolarHBondContact O-CD2 3.38Å; C308-Y312 PolarHBondContact O-N 3.39Å; C308-F331 HydrophobicContact CB-CZ 4.01Å; C308-F331 WeakPolarHBondContact SG-CE2 3.46Å; C308-F331 WeakPolarHBondContact SG-CZ 3.5Å
309C85.3Confident83.6Confident8 Ų849.4 Ų49.45%0.05423%0.233CC..Hα-helixtrans-64.2-38.7176-65.90000112.4E305 E306 R307 V311 Y312 E313 Y328 R352E305-C309 PolarHBondContact O-N 3.02Å; E305-C309 PolarHBondContact O-SG 3.32Å; E306-C309 PolarHBondContact O-N 2.95Å; R307-C309 VanDerWaalsContact C-N 3.34Å; R307-C309 PolarHBondContact O-N 3.1Å; C309-V311 VanDerWaalsContact C-N 3.27Å; C309-V311 PolarHBondContact O-N 3.49Å; C309-Y312 PolarHBondContact O-N 3.36Å; C309-Y312 VanDerWaalsContact O-N 3.1Å; C309-E313 WeakPolarHBondContact O-CG 3.39Å; C309-E313 PolarHBondContact O-N 2.95Å; C309-Y328 HydrophobicContact CB-CE2 4.2Å; C309-R352 WeakPolarHBondContact SG-CD 3.03Å; C309-R352 PolarHBondContact SG-NH1 2.85Å
310Q86.8Confident83.9Confident115 Ų11550.2 Ų50.254%0.53724%0.238SC..Hα-helixtrans-57.7-41.1174.7-71.1168.7-400111.8E306 R307 C308 E313 E314E306-Q310 WeakPolarHBondContact O-CG 3.46Å; E306-Q310 PolarHBondContact O-N 2.92Å; R307-Q310 WeakPolarHBondContact O-CB 3.39Å; R307-Q310 PolarHBondContact O-N 3.26Å; C308-Q310 PolarHBondContact O-N 3.44Å; Q310-E313 PolarHBondContact O-N 3.45Å; Q310-E314 WeakPolarHBondContact O-CG 3.35Å; Q310-E314 PolarHBondContact O-N 3.14Å
311V85.3Confident84.3Confident22 Ų2252.5 Ų52.513%0.13325%0.252CS..Hα-helixtrans-64.1-40.9175.2178.50000111.7W274 M277 A278 E281 R307 C308 C309 E314 G315W274-V311 HydrophobicContact CE3-CG1 3.95Å; W274-V311 HydrophobicContact CZ3-CG1 4.36Å; M277-V311 HydrophobicContact CB-CG1 3.9Å; A278-V311 HydrophobicContact CB-CB 4.02Å; A278-V311 HydrophobicContact CB-CG1 3.94Å; E281-V311 HydrophobicContact CG-CG2 4.09Å; R307-V311 PolarHBondContact O-N 2.93Å; R307-V311 VanDerWaalsContact O-N 3.14Å; C308-V311 PolarHBondContact O-N 3.25Å; C309-V311 VanDerWaalsContact C-N 3.27Å; C309-V311 PolarHBondContact O-N 3.49Å; V311-E314 PolarHBondContact O-N 3.25Å; V311-G315 PolarHBondContact O-N 3.32Å
312Y85.9Confident84.7Confident0 Ų053 Ų530%025%0.253CS..Hα-helixtrans-64.3-39.2173.1-75.8-69.8000112.3D275 A278 C308 C309 G315 L316 M324 R327 Y328 F331D275-Y312 HydrophobicContact CB-CE1 4.25Å; D275-Y312 PolarHBondContact OD1-OH 3.41Å; A278-Y312 HydrophobicContact CB-CD1 4.38Å; A278-Y312 HydrophobicContact CB-CD2 3.67Å; A278-Y312 HydrophobicContact CB-CE1 4.12Å; A278-Y312 HydrophobicContact CB-CE2 3.37Å; A278-Y312 HydrophobicContact CB-CG 4.17Å; C308-Y312 VanDerWaalsContact O-CD2 3.3Å; C308-Y312 WeakPolarHBondContact O-CD2 3.38Å; C308-Y312 PolarHBondContact O-N 3.39Å; C309-Y312 PolarHBondContact O-N 3.36Å; C309-Y312 VanDerWaalsContact O-N 3.1Å; Y312-G315 CarbonylContact O-C 3.6Å; Y312-G315 PolarHBondContact O-N 3.44Å; Y312-L316 WeakPolarHBondContact O-CG 3.41Å; Y312-L316 PolarHBondContact O-N 3.43Å; Y312-M324 HydrophobicContact CD1-CE 3.71Å; Y312-M324 HydrophobicContact CG-CE 4.49Å; Y312-M324 WeakPolarHBondContact O-CE 3.38Å; Y312-R327 HydrophobicContact CE1-CB 4.33Å; Y312-Y328 HydrophobicContact CD1-CD2 4.22Å; Y312-Y328 HydrophobicContact CD1-CG 4.27Å; Y312-Y328 AromaticContact CD2-CD2 3.58Å; Y312-Y328 HydrophobicContact CD2-CD2 3.58Å; Y312-Y328 AromaticContact CD2-CE2 3.95Å; Y312-Y328 HydrophobicContact CD2-CE2 3.95Å; Y312-Y328 HydrophobicContact CD2-CG 4.4Å; Y312-Y328 HydrophobicContact CE2-CD2 4.26Å; Y312-Y328 AromaticContact CG-CD2 3.56Å; Y312-Y328 HydrophobicContact CG-CD2 3.56Å; Y312-Y328 HydrophobicContact CG-CE2 4.1Å; Y312-Y328 AromaticContact CG-CG 3.93Å; Y312-Y328 HydrophobicContact CG-CG 3.93Å; Y312-F331 HydrophobicContact CD2-CD1 4.17Å; Y312-F331 HydrophobicContact CE2-CB 3.89Å; Y312-F331 AromaticContact CE2-CD1 3.67Å; Y312-F331 HydrophobicContact CE2-CD1 3.67Å; Y312-F331 HydrophobicContact CE2-CD2 4.18Å; Y312-F331 HydrophobicContact CE2-CE1 4.29Å; Y312-F331 AromaticContact CE2-CG 3.6Å; Y312-F331 HydrophobicContact CE2-CG 3.6Å
313E86.3Confident84.8Confident41 Ų4155.9 Ų55.919%0.19227%0.272CS..Hα-helixtrans-65.8-39.5177.2-67.7-65.8162.300112C309 Q310 G315 L316 K317 Y328 R359C309-E313 WeakPolarHBondContact O-CG 3.39Å; C309-E313 PolarHBondContact O-N 2.95Å; Q310-E313 PolarHBondContact O-N 3.45Å; E313-G315 VanDerWaalsContact C-N 3.35Å; E313-L316 PolarHBondContact O-N 3.17Å; E313-K317 WeakPolarHBondContact O-CG 3.38Å; E313-K317 PolarHBondContact O-N 2.92Å; E313-Y328 WeakPolarHBondContact OE1-CE1 3.49Å; E313-Y328 PolarHBondContact OE1-OH 3.3Å; E313-R359 VanDerWaalsContact CD-NH1 3.27Å; E313-R359 IonicContact OE1-CZ 2.73Å; E313-R359 IonicContact OE1-NH1 2.96Å; E313-R359 PolarHBondContact OE1-NH1 3.4Å; E313-R359 IonicContact OE1-NH2 3.65Å; E313-R359 IonicContact OE2-CZ 2.61Å; E313-R359 IonicContact OE2-NH1 2.65Å; E313-R359 PolarHBondContact OE2-NH1 3.35Å; E313-R359 IonicContact OE2-NH2 2.73Å; E313-R359 PolarHBondContact OE2-NH2 2.95Å
314E84.1Confident85Confident108 Ų10851.5 Ų51.551%0.50526%0.255SS..Hα-helixtrans-64.5-40.8171.6-72.6178.417900111.7W274 Q310 V311 L316 K317 S318W274-E314 HydrophobicContact CH2-CB 4.42Å; W274-E314 HydrophobicContact CZ3-CB 4.06Å; Q310-E314 WeakPolarHBondContact O-CG 3.35Å; Q310-E314 PolarHBondContact O-N 3.14Å; V311-E314 PolarHBondContact O-N 3.25Å; E314-L316 VanDerWaalsContact C-N 3.31Å; E314-L316 PolarHBondContact O-N 2.95Å; E314-K317 WeakPolarHBondContact O-CB 3.36Å; E314-K317 PolarHBondContact O-N 3.38Å; E314-S318 PolarHBondContact O-N 3.31Å; E314-S318 VanDerWaalsContact O-N 3.14Å; E314-S318 PolarHBondContact O-OG 3.07Å
315G82.4Confident85.3Confident0 Ų049.7 Ų49.70%025%0.249CC..Hα-helixtrans-63.9-34172.900000113V311 Y312 E313 S318 L319V311-G315 PolarHBondContact O-N 3.32Å; Y312-G315 CarbonylContact O-C 3.6Å; Y312-G315 PolarHBondContact O-N 3.44Å; E313-G315 VanDerWaalsContact C-N 3.35Å; G315-S318 WeakPolarHBondContact CA-OG 3.48Å; G315-S318 PolarHBondContact O-N 3.04Å; G315-S318 PolarHBondContact O-OG 3.35Å; G315-L319 CarbonylContact O-C 3.51Å; G315-L319 VanDerWaalsContact O-CA 3.3Å; G315-L319 WeakPolarHBondContact O-CA 3.43Å; G315-L319 VanDerWaalsContact O-CB 3.26Å; G315-L319 WeakPolarHBondContact O-CB 3.4Å; G315-L319 PolarHBondContact O-N 2.89Å
316L85.4Confident85.5Confident12 Ų1250.7 Ų50.76%0.06326%0.255CS..Hα-helixtrans-72-32.6174.2-75.8172.3000112.9Y312 E313 E314 S318 L319 N320 M324 W325 Y328Y312-L316 WeakPolarHBondContact O-CG 3.41Å; Y312-L316 PolarHBondContact O-N 3.43Å; E313-L316 PolarHBondContact O-N 3.17Å; E314-L316 VanDerWaalsContact C-N 3.31Å; E314-L316 PolarHBondContact O-N 2.95Å; L316-S318 VanDerWaalsContact C-N 3.33Å; L316-L319 PolarHBondContact O-N 3.4Å; L316-N320 PolarHBondContact O-N 2.89Å; L316-M324 HydrophobicContact CD2-CB 4.21Å; L316-M324 HydrophobicContact CD2-CG 3.65Å; L316-M324 HydrophobicContact CG-CE 4.5Å; L316-M324 HydrophobicContact CG-CG 4.18Å; L316-W325 HydrophobicContact CD1-CD2 4.3Å; L316-W325 HydrophobicContact CD1-CE3 3.98Å; L316-W325 HydrophobicContact CD1-CH2 3.52Å; L316-W325 HydrophobicContact CD1-CZ2 3.84Å; L316-W325 HydrophobicContact CD1-CZ3 3.59Å; L316-W325 HydrophobicContact CD2-CD2 3.74Å; L316-W325 HydrophobicContact CD2-CE3 4.23Å; L316-W325 HydrophobicContact CD2-CG 4.11Å; L316-W325 HydrophobicContact CD2-CH2 4.38Å; L316-W325 HydrophobicContact CD2-CZ2 3.89Å; L316-W325 HydrophobicContact CG-CZ2 4.44Å; L316-Y328 HydrophobicContact CD1-CD1 3.76Å; L316-Y328 HydrophobicContact CD1-CE1 4.01Å
317K84.9Confident85.6Confident178 Ų17850.7 Ų50.777%0.77425%0.252SS*.Hα-helixtrans-64.4-38.8173.2-72.3173-173.6172.60111.8E313 E314E313-K317 WeakPolarHBondContact O-CG 3.38Å; E313-K317 PolarHBondContact O-N 2.92Å; E314-K317 WeakPolarHBondContact O-CB 3.36Å; E314-K317 PolarHBondContact O-N 3.38Å
318S81.1Confident85.8Confident70 Ų7046.5 Ų46.549%0.4924%0.236SC..Hα-helixtrans-80.5-33.6175.756.40000112.3W274 E314 G315 L316W274-S318 VanDerWaalsContact CZ2-OG 3.24Å; W274-S318 WeakPolarHBondContact CZ2-OG 3.46Å; E314-S318 PolarHBondContact O-N 3.31Å; E314-S318 VanDerWaalsContact O-N 3.14Å; E314-S318 PolarHBondContact O-OG 3.07Å; G315-S318 WeakPolarHBondContact CA-OG 3.48Å; G315-S318 PolarHBondContact O-N 3.04Å; G315-S318 PolarHBondContact O-OG 3.35Å; L316-S318 VanDerWaalsContact C-N 3.33Å
319L82.2Confident85.9Confident26 Ų2646.5 Ų46.514%0.13624%0.236CC..  trans-145.176.5-163.8-134.7158.1000113.1T268 E269 G315 L316 T321 M324T268-L319 WeakPolarHBondContact O-CD1 3.31Å; E269-L319 HydrophobicContact CB-CD1 4.44Å; E269-L319 WeakPolarHBondContact O-CD1 3.26Å; G315-L319 CarbonylContact O-C 3.51Å; G315-L319 VanDerWaalsContact O-CA 3.3Å; G315-L319 WeakPolarHBondContact O-CA 3.43Å; G315-L319 VanDerWaalsContact O-CB 3.26Å; G315-L319 WeakPolarHBondContact O-CB 3.4Å; G315-L319 PolarHBondContact O-N 2.89Å; L316-L319 PolarHBondContact O-N 3.4Å; L319-T321 VanDerWaalsContact C-N 3.33Å; L319-T321 HydrophobicContact CD2-CG2 3.41Å; L319-T321 VanDerWaalsContact CD2-CG2 3.41Å; L319-T321 WeakPolarHBondContact CD2-OG1 3.44Å; L319-T321 PolarHBondContact O-N 3.24Å; L319-M324 WeakPolarHBondContact O-CB 3.48Å
320N84.9Confident86.1Confident92 Ų9248.7 Ų48.749%0.49225%0.249SC..  trans-80.574.5177.7-170.321.8000111.9L316 W325 L365L316-N320 PolarHBondContact O-N 2.89Å; N320-W325 PolarHBondContact OD1-NE1 3.03Å; N320-L365 WeakPolarHBondContact O-CD1 3.1Å; N320-L365 WeakPolarHBondContact OD1-CD1 3.37Å
321T88.2Confident86.2Confident53 Ų5343.4 Ų43.433%0.32523%0.225SC..  trans-124.9157.5-179.760.50000112.8L319 M324 W325L319-T321 VanDerWaalsContact C-N 3.33Å; L319-T321 HydrophobicContact CD2-CG2 3.41Å; L319-T321 VanDerWaalsContact CD2-CG2 3.41Å; L319-T321 WeakPolarHBondContact CD2-OG1 3.44Å; L319-T321 PolarHBondContact O-N 3.24Å; T321-M324 WeakPolarHBondContact O-CB 3.47Å; T321-M324 PolarHBondContact O-N 3.42Å; T321-M324 VanDerWaalsContact O-N 3.09Å; T321-W325 PolarHBondContact O-N 3.32Å; T321-W325 VanDerWaalsContact O-N 3.12Å
322E88.8Confident86.3Confident78 Ų7842.7 Ų42.736%0.36422%0.22SC..Hα-helixtrans-53.7-42.9177.2179.7-169.9109.500113.3M324 W325 T326 L365 K367E322-M324 VanDerWaalsContact C-N 3.31Å; E322-M324 PolarHBondContact O-N 3.08Å; E322-W325 PolarHBondContact O-N 3.26Å; E322-T326 WeakPolarHBondContact O-CB 3.43Å; E322-T326 PolarHBondContact O-N 2.96Å; E322-T326 PolarHBondContact O-OG1 2.95Å; E322-L365 HydrophobicContact CB-CD2 4.11Å; E322-L365 WeakPolarHBondContact CG-O 3.31Å; E322-K367 HydrophobicContact CG-CG 3.97Å; E322-K367 WeakPolarHBondContact OE1-CE 3.38Å; E322-K367 IonicContact OE1-NZ 2.72Å
323P85.8Confident86.3Confident67 Ų6743.4 Ų43.444%0.43522%0.224SC..Hα-helixtrans-60.9-38.3176.1-24.836.6000112.8S271 T326 R327S271-P323 PolarHBondContact OG-O 3.03Å; P323-T326 WeakPolarHBondContact O-CB 3.05Å; P323-T326 PolarHBondContact O-N 3.22Å; P323-R327 WeakPolarHBondContact O-CG 3.3Å; P323-R327 PolarHBondContact O-N 3.11Å
324M87.1Confident86.3Confident0 Ų045.8 Ų45.80%024%0.235CC..Hα-helixtrans-67.3-46.6179.8-171.857.2-172.900111.8S271 W274 Y312 L316 L319 T321 E322 T326 R327 Y328S271-M324 WeakPolarHBondContact OG-CA 3.44Å; S271-M324 PolarHBondContact OG-N 3.49Å; W274-M324 HydrophobicContact CB-CE 3.64Å; W274-M324 HydrophobicContact CB-SD 3.86Å; W274-M324 HydrophobicContact CG-CE 4.09Å; W274-M324 HydrophobicContact CG-SD 4.37Å; Y312-M324 HydrophobicContact CD1-CE 3.71Å; Y312-M324 HydrophobicContact CG-CE 4.49Å; Y312-M324 WeakPolarHBondContact O-CE 3.38Å; L316-M324 HydrophobicContact CD2-CB 4.21Å; L316-M324 HydrophobicContact CD2-CG 3.65Å; L316-M324 HydrophobicContact CG-CE 4.5Å; L316-M324 HydrophobicContact CG-CG 4.18Å; L319-M324 WeakPolarHBondContact O-CB 3.48Å; T321-M324 WeakPolarHBondContact O-CB 3.47Å; T321-M324 PolarHBondContact O-N 3.42Å; T321-M324 VanDerWaalsContact O-N 3.09Å; E322-M324 VanDerWaalsContact C-N 3.31Å; E322-M324 PolarHBondContact O-N 3.08Å; M324-T326 VanDerWaalsContact C-N 3.33Å; M324-T326 PolarHBondContact O-N 3.4Å; M324-R327 PolarHBondContact O-N 3.06Å; M324-Y328 PolarHBondContact O-N 2.91Å
325W88.3Confident86.3Confident7 Ų741.9 Ų41.93%0.02722%0.216CC..Hα-helixtrans-60-42.4171.6-75.8109000112.5L316 N320 T321 E322 R327 Y328 V329 V356 R359 A360 L365L316-W325 HydrophobicContact CD1-CD2 4.3Å; L316-W325 HydrophobicContact CD1-CE3 3.98Å; L316-W325 HydrophobicContact CD1-CH2 3.52Å; L316-W325 HydrophobicContact CD1-CZ2 3.84Å; L316-W325 HydrophobicContact CD1-CZ3 3.59Å; L316-W325 HydrophobicContact CD2-CD2 3.74Å; L316-W325 HydrophobicContact CD2-CE3 4.23Å; L316-W325 HydrophobicContact CD2-CG 4.11Å; L316-W325 HydrophobicContact CD2-CH2 4.38Å; L316-W325 HydrophobicContact CD2-CZ2 3.89Å; L316-W325 HydrophobicContact CG-CZ2 4.44Å; N320-W325 PolarHBondContact OD1-NE1 3.03Å; T321-W325 PolarHBondContact O-N 3.32Å; T321-W325 VanDerWaalsContact O-N 3.12Å; E322-W325 PolarHBondContact O-N 3.26Å; W325-R327 VanDerWaalsContact C-N 3.32Å; W325-R327 PolarHBondContact O-N 2.86Å; W325-Y328 HydrophobicContact CE3-CD1 4.37Å; W325-Y328 HydrophobicContact CZ3-CD1 4.26Å; W325-Y328 PolarHBondContact O-N 2.9Å; W325-V329 WeakPolarHBondContact O-CB 3.45Å; W325-V329 VanDerWaalsContact O-CG2 3.27Å; W325-V329 WeakPolarHBondContact O-CG2 3.42Å; W325-V329 PolarHBondContact O-N 3.35Å; W325-V356 HydrophobicContact CE3-CG1 4.23Å; W325-V356 HydrophobicContact CZ3-CG1 4.11Å; W325-R359 HydrophobicContact CH2-CB 3.73Å; W325-R359 HydrophobicContact CZ3-CB 4.12Å; W325-A360 HydrophobicContact CB-CB 4.3Å; W325-A360 HydrophobicContact CD2-CB 3.76Å; W325-A360 HydrophobicContact CE3-CB 3.55Å; W325-A360 HydrophobicContact CG-CB 4.11Å; W325-A360 HydrophobicContact CZ3-CB 4.12Å; W325-L365 HydrophobicContact CG-CB 4.28Å
326T88.5Confident86.3Confident24 Ų2444.3 Ų44.315%0.14723%0.228CC..Hα-helixtrans-57.3-46177.3-62.20000110.8E322 P323 M324 V330 K367 F370E322-T326 WeakPolarHBondContact O-CB 3.43Å; E322-T326 PolarHBondContact O-N 2.96Å; E322-T326 PolarHBondContact O-OG1 2.95Å; P323-T326 WeakPolarHBondContact O-CB 3.05Å; P323-T326 PolarHBondContact O-N 3.22Å; M324-T326 VanDerWaalsContact C-N 3.33Å; M324-T326 PolarHBondContact O-N 3.4Å; T326-V330 HydrophobicContact CG2-CG2 4.46Å; T326-V330 WeakPolarHBondContact O-CB 3.32Å; T326-V330 WeakPolarHBondContact O-CG2 3.42Å; T326-V330 PolarHBondContact O-N 3.26Å; T326-K367 HydrophobicContact CG2-CD 4.23Å; T326-K367 WeakPolarHBondContact OG1-CD 3.47Å; T326-K367 WeakPolarHBondContact OG1-CE 3.47Å; T326-F370 HydrophobicContact CG2-CE2 4.01Å; T326-F370 HydrophobicContact CG2-CZ 3.94Å
327R86.4Confident86.2Confident70 Ų7051.6 Ų51.626%0.26426%0.26SS..Hα-helixtrans-66.6-42.7178.9-68.6-170.4-169.5-97-11.1112.6S271 D275 Y312 P323 M324 W325 V330 F331S271-R327 WeakPolarHBondContact O-CD 3.39Å; S271-R327 WeakPolarHBondContact OG-CD 3.4Å; S271-R327 PolarHBondContact OG-NE 3Å; D275-R327 HydrophobicContact CB-CB 4.42Å; D275-R327 VanDerWaalsContact CB-CD 3.43Å; D275-R327 HydrophobicContact CB-CG 4.48Å; D275-R327 IonicContact OD2-NH1 2.69Å; D275-R327 PolarHBondContact OD2-NH1 3.4Å; Y312-R327 HydrophobicContact CE1-CB 4.33Å; P323-R327 WeakPolarHBondContact O-CG 3.3Å; P323-R327 PolarHBondContact O-N 3.11Å; M324-R327 PolarHBondContact O-N 3.06Å; W325-R327 VanDerWaalsContact C-N 3.32Å; W325-R327 PolarHBondContact O-N 2.86Å; R327-V330 PolarHBondContact O-N 3.47Å; R327-F331 WeakPolarHBondContact O-CB 3.28Å; R327-F331 PolarHBondContact O-N 3.42Å
328Y88.3Confident86.1Confident6 Ų649.5 Ų49.52%0.02425%0.247CC..Hα-helixtrans-63.9-44.3178.8-171.5-160.8000111.9C309 Y312 E313 L316 M324 W325 F331 C332 V356C309-Y328 HydrophobicContact CB-CE2 4.2Å; Y312-Y328 HydrophobicContact CD1-CD2 4.22Å; Y312-Y328 HydrophobicContact CD1-CG 4.27Å; Y312-Y328 AromaticContact CD2-CD2 3.58Å; Y312-Y328 HydrophobicContact CD2-CD2 3.58Å; Y312-Y328 AromaticContact CD2-CE2 3.95Å; Y312-Y328 HydrophobicContact CD2-CE2 3.95Å; Y312-Y328 HydrophobicContact CD2-CG 4.4Å; Y312-Y328 HydrophobicContact CE2-CD2 4.26Å; Y312-Y328 AromaticContact CG-CD2 3.56Å; Y312-Y328 HydrophobicContact CG-CD2 3.56Å; Y312-Y328 HydrophobicContact CG-CE2 4.1Å; Y312-Y328 AromaticContact CG-CG 3.93Å; Y312-Y328 HydrophobicContact CG-CG 3.93Å; E313-Y328 WeakPolarHBondContact OE1-CE1 3.49Å; E313-Y328 PolarHBondContact OE1-OH 3.3Å; L316-Y328 HydrophobicContact CD1-CD1 3.76Å; L316-Y328 HydrophobicContact CD1-CE1 4.01Å; M324-Y328 PolarHBondContact O-N 2.91Å; W325-Y328 HydrophobicContact CE3-CD1 4.37Å; W325-Y328 HydrophobicContact CZ3-CD1 4.26Å; W325-Y328 PolarHBondContact O-N 2.9Å; Y328-F331 HydrophobicContact CD2-CD1 4.32Å; Y328-F331 WeakPolarHBondContact O-CB 3.44Å; Y328-F331 PolarHBondContact O-N 3.45Å; Y328-C332 PolarHBondContact O-N 2.92Å; Y328-C332 PolarHBondContact O-SG 3.38Å; Y328-C332 VanDerWaalsContact O-SG 3.39Å; Y328-V356 HydrophobicContact CD1-CG1 3.52Å; Y328-V356 HydrophobicContact CD1-CG2 4.19Å; Y328-V356 HydrophobicContact CE1-CB 4.36Å; Y328-V356 HydrophobicContact CE1-CG1 3.81Å; Y328-V356 HydrophobicContact CE1-CG2 3.63Å; Y328-V356 HydrophobicContact CE2-CG2 4.16Å; Y328-V356 HydrophobicContact CG-CG1 3.96Å
329V88.8Confident85.8Confident0 Ų056 Ų560%027%0.266CS..Hα-helixtrans-63.5-43.7175.4172.90000111.4W325 F331 C332 L333 L353 V356 L357 L366 F370W325-V329 WeakPolarHBondContact O-CB 3.45Å; W325-V329 VanDerWaalsContact O-CG2 3.27Å; W325-V329 WeakPolarHBondContact O-CG2 3.42Å; W325-V329 PolarHBondContact O-N 3.35Å; V329-F331 VanDerWaalsContact C-N 3.33Å; V329-F331 PolarHBondContact O-N 2.81Å; V329-C332 PolarHBondContact O-N 3.13Å; V329-L333 HydrophobicContact CG1-CD1 3.93Å; V329-L333 HydrophobicContact CG1-CG 4.41Å; V329-L333 WeakPolarHBondContact O-CB 3.27Å; V329-L333 WeakPolarHBondContact O-CG 3.43Å; V329-L333 PolarHBondContact O-N 3.48Å; V329-L353 HydrophobicContact CG1-CD1 4.38Å; V329-V356 HydrophobicContact CG2-CG1 3.77Å; V329-L357 HydrophobicContact CG1-CD2 3.6Å; V329-L357 HydrophobicContact CG1-CG 4.46Å; V329-L357 HydrophobicContact CG2-CD2 4.04Å; V329-L366 HydrophobicContact CG2-CD1 4.22Å; V329-F370 HydrophobicContact CB-CE1 4.41Å; V329-F370 HydrophobicContact CB-CZ 4.4Å; V329-F370 HydrophobicContact CG1-CB 4.44Å; V329-F370 HydrophobicContact CG1-CD1 3.49Å; V329-F370 VanDerWaalsContact CG1-CD1 3.49Å; V329-F370 HydrophobicContact CG1-CD2 4.21Å; V329-F370 HydrophobicContact CG1-CE1 3.66Å; V329-F370 HydrophobicContact CG1-CE2 4.35Å; V329-F370 HydrophobicContact CG1-CG 3.8Å; V329-F370 HydrophobicContact CG1-CZ 4.09Å
330V88.9Confident85.4Confident54 Ų5455.9 Ų55.933%0.32727%0.267SS..Hα-helixtrans-60.1-44.9176.3168.10000110.8T326 R327 C332 L333 E334 F370T326-V330 HydrophobicContact CG2-CG2 4.46Å; T326-V330 WeakPolarHBondContact O-CB 3.32Å; T326-V330 WeakPolarHBondContact O-CG2 3.42Å; T326-V330 PolarHBondContact O-N 3.26Å; R327-V330 PolarHBondContact O-N 3.47Å; V330-C332 PolarHBondContact O-N 3.11Å; V330-L333 PolarHBondContact O-N 3.06Å; V330-E334 HydrophobicContact CG1-CG 4.42Å; V330-E334 WeakPolarHBondContact O-CG 3.11Å; V330-E334 PolarHBondContact O-N 3.33Å; V330-F370 HydrophobicContact CG2-CE1 3.97Å; V330-F370 HydrophobicContact CG2-CZ 3.79Å
331F89.1Confident84.9Confident4 Ų459.5 Ų59.52%0.01829%0.286CS..Hα-helixtrans-56.1-51.2174.6166-100.3000111.6L282 C308 Y312 R327 Y328 V329 L333 E334 R335L282-F331 HydrophobicContact CD1-CD2 4.38Å; L282-F331 HydrophobicContact CD1-CE2 3.48Å; L282-F331 VanDerWaalsContact CD1-CE2 3.48Å; L282-F331 HydrophobicContact CD1-CZ 4.18Å; L282-F331 HydrophobicContact CD2-CE2 4.42Å; L282-F331 HydrophobicContact CD2-CZ 4.35Å; C308-F331 HydrophobicContact CB-CZ 4.01Å; C308-F331 WeakPolarHBondContact SG-CE2 3.46Å; C308-F331 WeakPolarHBondContact SG-CZ 3.5Å; Y312-F331 HydrophobicContact CD2-CD1 4.17Å; Y312-F331 HydrophobicContact CE2-CB 3.89Å; Y312-F331 AromaticContact CE2-CD1 3.67Å; Y312-F331 HydrophobicContact CE2-CD1 3.67Å; Y312-F331 HydrophobicContact CE2-CD2 4.18Å; Y312-F331 HydrophobicContact CE2-CE1 4.29Å; Y312-F331 AromaticContact CE2-CG 3.6Å; Y312-F331 HydrophobicContact CE2-CG 3.6Å; R327-F331 WeakPolarHBondContact O-CB 3.28Å; R327-F331 PolarHBondContact O-N 3.42Å; Y328-F331 HydrophobicContact CD2-CD1 4.32Å; Y328-F331 WeakPolarHBondContact O-CB 3.44Å; Y328-F331 PolarHBondContact O-N 3.45Å; V329-F331 VanDerWaalsContact C-N 3.33Å; V329-F331 PolarHBondContact O-N 2.81Å; F331-L333 VanDerWaalsContact C-N 3.33Å; F331-L333 PolarHBondContact O-N 3.3Å; F331-E334 PolarHBondContact O-N 3.27Å; F331-R335 HydrophobicContact CD2-CG 4.24Å; F331-R335 HydrophobicContact CE1-CG 4.21Å; F331-R335 HydrophobicContact CE2-CG 3.71Å; F331-R335 HydrophobicContact CZ-CG 3.7Å; F331-R335 VanDerWaalsContact O-CG 3.27Å; F331-R335 WeakPolarHBondContact O-CG 3.36Å; F331-R335 PolarHBondContact O-N 3.49Å; F331-R335 VanDerWaalsContact O-N 3.08Å
332C86.3Confident84.6Confident6 Ų658.2 Ų58.24%0.04128%0.278CS..Hα-helixtrans-60.7-40.4178.7-69.20000112.3Y328 V329 V330 R335 L336 L353Y328-C332 PolarHBondContact O-N 2.92Å; Y328-C332 PolarHBondContact O-SG 3.38Å; Y328-C332 VanDerWaalsContact O-SG 3.39Å; V329-C332 PolarHBondContact O-N 3.13Å; V330-C332 PolarHBondContact O-N 3.11Å; C332-R335 PolarHBondContact O-N 3.39Å; C332-L336 PolarHBondContact O-N 3.49Å; C332-L353 HydrophobicContact CB-CB 4.08Å; C332-L353 HydrophobicContact CB-CD1 3.52Å; C332-L353 HydrophobicContact CB-CG 4.33Å
333L86Confident84.2Confident15 Ų1559.7 Ų59.78%0.07929%0.285CS..Hα-helixtrans-64.6-42.5175.9-77168.7000112.8V329 V330 F331 R335 L336 K337 L353 F370 N373 I377V329-L333 HydrophobicContact CG1-CD1 3.93Å; V329-L333 HydrophobicContact CG1-CG 4.41Å; V329-L333 WeakPolarHBondContact O-CB 3.27Å; V329-L333 WeakPolarHBondContact O-CG 3.43Å; V329-L333 PolarHBondContact O-N 3.48Å; V330-L333 PolarHBondContact O-N 3.06Å; F331-L333 VanDerWaalsContact C-N 3.33Å; F331-L333 PolarHBondContact O-N 3.3Å; L333-R335 VanDerWaalsContact C-N 3.26Å; L333-R335 PolarHBondContact O-N 3Å; L333-L336 PolarHBondContact O-N 2.9Å; L333-K337 WeakPolarHBondContact O-CG 3.33Å; L333-K337 PolarHBondContact O-N 3.26Å; L333-K337 VanDerWaalsContact O-N 3.14Å; L333-L353 HydrophobicContact CD2-CD1 4.26Å; L333-L353 HydrophobicContact CD2-CD2 3.59Å; L333-L353 HydrophobicContact CG-CD1 4Å; L333-L353 HydrophobicContact CG-CD2 4.16Å; L333-F370 HydrophobicContact CD1-CD1 3.73Å; L333-F370 HydrophobicContact CD1-CE1 3.8Å; L333-N373 WeakPolarHBondContact CD1-ND2 3.33Å; L333-N373 HydrophobicContact CD2-CB 4.07Å; L333-I377 HydrophobicContact CD2-CD1 4.34Å
334E86.5Confident84.1Confident92 Ų9262.7 Ų62.743%0.4329%0.293SS..Hα-helixtrans-60.4-39175.4-76.3-180179.900111.4V330 F331 K337V330-E334 HydrophobicContact CG1-CG 4.42Å; V330-E334 WeakPolarHBondContact O-CG 3.11Å; V330-E334 PolarHBondContact O-N 3.33Å; F331-E334 PolarHBondContact O-N 3.27Å; E334-K337 PolarHBondContact O-N 3.43Å
335R83.9Confident83.8Confident26 Ų2663 Ų6310%0.09830%0.295CS..Hα-helixtrans-68.8-40.4178.4-63.9-70.5143.81731.4111.9E305 F331 C332 L333 K337 R338 R349E305-R335 WeakPolarHBondContact OE1-CD 3.42Å; E305-R335 IonicContact OE1-NH1 3.85Å; F331-R335 HydrophobicContact CD2-CG 4.24Å; F331-R335 HydrophobicContact CE1-CG 4.21Å; F331-R335 HydrophobicContact CE2-CG 3.71Å; F331-R335 HydrophobicContact CZ-CG 3.7Å; F331-R335 VanDerWaalsContact O-CG 3.27Å; F331-R335 WeakPolarHBondContact O-CG 3.36Å; F331-R335 PolarHBondContact O-N 3.49Å; F331-R335 VanDerWaalsContact O-N 3.08Å; C332-R335 PolarHBondContact O-N 3.39Å; L333-R335 VanDerWaalsContact C-N 3.26Å; L333-R335 PolarHBondContact O-N 3Å; R335-K337 VanDerWaalsContact C-N 3.31Å; R335-K337 PolarHBondContact O-N 2.97Å; R335-R338 VanDerWaalsContact NH1-NH1 3.19Å; R335-R338 PolarHBondContact O-N 2.96Å; R335-R349 WeakPolarHBondContact O-CD 3.1Å; R335-R349 PolarHBondContact O-NH1 3.12Å
336L83.4Confident83.6Confident50 Ų5066.6 Ų66.626%0.26231%0.311SS..Hα-helixtrans-62.8-37.2176.1-173.366.8000112.1C332 L333 R338 R349 Q350 L353 I377C332-L336 PolarHBondContact O-N 3.49Å; L333-L336 PolarHBondContact O-N 2.9Å; L336-R338 VanDerWaalsContact C-N 3.26Å; L336-R338 PolarHBondContact O-N 3.27Å; L336-R349 HydrophobicContact CD1-CB 4.37Å; L336-Q350 HydrophobicContact CD1-CB 4.16Å; L336-L353 HydrophobicContact CD2-CD2 3.76Å; L336-I377 HydrophobicContact CD2-CD1 3.69Å; L336-I377 HydrophobicContact CD2-CG1 4.13Å
337K83.3Confident83.4Confident166 Ų16668.5 Ų68.572%0.72232%0.32SS*.THydrogen-bonded Turntrans-70.2-15.9178.7-72.4177.1-179.3179.90114.1L333 E334 R335 K339L333-K337 WeakPolarHBondContact O-CG 3.33Å; L333-K337 PolarHBondContact O-N 3.26Å; L333-K337 VanDerWaalsContact O-N 3.14Å; E334-K337 PolarHBondContact O-N 3.43Å; R335-K337 VanDerWaalsContact C-N 3.31Å; R335-K337 PolarHBondContact O-N 2.97Å; K337-K339 PolarHBondContact O-N 3.35Å
338R81.6Confident83.3Confident133 Ų13369.4 Ų69.450%0.50233%0.326SS..SBendtrans-69.9129.7-179.7-71.5-171.9177.2-155.2-3.2110.7R335 L336 T340R335-R338 VanDerWaalsContact NH1-NH1 3.19Å; R335-R338 PolarHBondContact O-N 2.96Å; L336-R338 VanDerWaalsContact C-N 3.26Å; L336-R338 PolarHBondContact O-N 3.27Å; R338-T340 PolarHBondContact O-N 3.27Å; R338-T340 PolarHBondContact O-OG1 3.01Å
339K75.2Confident83.2Confident207 Ų20769.8 Ų69.890%0.933%0.327SS*.  trans-59.9127.2173.6-64-173.2-179.1-177.50109.4K337K337-K339 PolarHBondContact O-N 3.35Å
340T74.6Confident83.1Confident24 Ų2472 Ų7215%0.14734%0.337CS..  trans-144.3137179.9-63.10000107.9R338 V342 L345 K346 R349R338-T340 PolarHBondContact O-N 3.27Å; R338-T340 PolarHBondContact O-OG1 3.01Å; T340-V342 HydrophobicContact CG2-CB 4.22Å; T340-L345 HydrophobicContact CG2-CB 4.18Å; T340-L345 HydrophobicContact CG2-CD2 3.84Å; T340-L345 HydrophobicContact CG2-CG 4.23Å; T340-K346 WeakPolarHBondContact O-CE 3.46Å; T340-K346 PolarHBondContact O-NZ 3.11Å; T340-R349 PolarHBondContact OG1-NH1 3.16Å
341N73.8Confident82.9Confident168 Ų16875.6 Ų75.690%0.89835%0.351SS*.SBendtrans-92.6-11.2-178.2-65.7-11000112.7
342V81.9Confident82.8Confident26 Ų2677.2 Ų77.216%0.15836%0.357CS..  trans-92.1117.5178.1-177.20000109.3A298 T340 E344 L345 K346A298-V342 HydrophobicContact CB-CB 3.94Å; A298-V342 HydrophobicContact CB-CG1 4.16Å; A298-V342 HydrophobicContact CB-CG2 3.54Å; T340-V342 HydrophobicContact CG2-CB 4.22Å; V342-E344 HydrophobicContact CG1-CB 4.19Å; V342-L345 HydrophobicContact CB-CB 4.35Å; V342-L345 HydrophobicContact CG1-CB 4.34Å; V342-K346 PolarHBondContact O-N 2.58Å
343Q80.8Confident82.9Confident108 Ų10877 Ų7751%0.50536%0.355SS..Hα-helixtrans-66.4-43.7-178.5-170.759.729.700112L345 K346 D347Q343-L345 PolarHBondContact O-N 3.21Å; Q343-L345 VanDerWaalsContact O-N 3.13Å; Q343-K346 WeakPolarHBondContact O-CA 3.29Å; Q343-K346 WeakPolarHBondContact O-CB 3.47Å; Q343-K346 PolarHBondContact O-N 3.05Å; Q343-D347 PolarHBondContact NE2-OD1 2.79Å; Q343-D347 PolarHBondContact O-N 2.85Å
344E82.9Confident83Confident130 Ų13077.8 Ų77.861%0.60736%0.359SS*.Hα-helixtrans-53.1-38.2178.1-64167.8-160.300113.2V342 K348V342-E344 HydrophobicContact CG1-CB 4.19Å; E344-K348 WeakPolarHBondContact O-CB 3.48Å; E344-K348 WeakPolarHBondContact O-CG 3.37Å; E344-K348 PolarHBondContact O-N 3.21Å
345L81.4Confident83.1Confident7 Ų778.8 Ų78.84%0.03736%0.364CS..Hα-helixtrans-73-32.4177.8-178.955.6000112.1A298 I301 N302 T340 V342 Q343 R349A298-L345 HydrophobicContact CB-CD2 3.93Å; I301-L345 HydrophobicContact CB-CD2 4.4Å; I301-L345 HydrophobicContact CG2-CD2 4.07Å; N302-L345 HydrophobicContact CB-CD1 3.85Å; T340-L345 HydrophobicContact CG2-CB 4.18Å; T340-L345 HydrophobicContact CG2-CD2 3.84Å; T340-L345 HydrophobicContact CG2-CG 4.23Å; V342-L345 HydrophobicContact CB-CB 4.35Å; V342-L345 HydrophobicContact CG1-CB 4.34Å; Q343-L345 PolarHBondContact O-N 3.21Å; Q343-L345 VanDerWaalsContact O-N 3.13Å; L345-R349 HydrophobicContact CD1-CG 4.41Å; L345-R349 WeakPolarHBondContact O-CB 3.3Å; L345-R349 VanDerWaalsContact O-CG 3.29Å; L345-R349 WeakPolarHBondContact O-CG 3.2Å; L345-R349 PolarHBondContact O-N 3.43Å; L345-R349 VanDerWaalsContact O-N 3.13Å
346K84.1Confident83.3Confident82 Ų8277.7 Ų77.736%0.35736%0.36SS..Hα-helixtrans-66.6-45.8173.7-66.6-177.5-175170.40110.7T340 V342 Q343 R349 Q350T340-K346 WeakPolarHBondContact O-CE 3.46Å; T340-K346 PolarHBondContact O-NZ 3.11Å; V342-K346 PolarHBondContact O-N 2.58Å; Q343-K346 WeakPolarHBondContact O-CA 3.29Å; Q343-K346 WeakPolarHBondContact O-CB 3.47Å; Q343-K346 PolarHBondContact O-N 3.05Å; K346-R349 PolarHBondContact O-N 3.23Å; K346-Q350 WeakPolarHBondContact O-CB 3.26Å; K346-Q350 PolarHBondContact O-N 3.07Å
347D84.3Confident83.6Confident64 Ų6475.4 Ų75.434%0.34235%0.348SS..Hα-helixtrans-62.1-47.9-178.5-57.1-22.1000109.9Q343 R349 Q350 E351Q343-D347 PolarHBondContact NE2-OD1 2.79Å; Q343-D347 PolarHBondContact O-N 2.85Å; D347-R349 PolarHBondContact O-N 3.48Å; D347-Q350 WeakPolarHBondContact O-CB 3.3Å; D347-Q350 PolarHBondContact O-N 3.22Å; D347-Q350 VanDerWaalsContact O-N 3.11Å; D347-E351 WeakPolarHBondContact O-CG 2.69Å; D347-E351 PolarHBondContact O-N 2.9Å
348K84.4Confident83.8Confident89 Ų8971.3 Ų71.339%0.38733%0.332SS..Hα-helixtrans-57.8-40.9174.5-76.4-175.8176.1-169.10114.1N302 E344 Q350 R352N302-K348 PolarHBondContact ND2-NZ 3.31Å; E344-K348 WeakPolarHBondContact O-CB 3.48Å; E344-K348 WeakPolarHBondContact O-CG 3.37Å; E344-K348 PolarHBondContact O-N 3.21Å; K348-Q350 VanDerWaalsContact C-N 3.35Å; K348-R352 WeakPolarHBondContact O-CB 3.26Å; K348-R352 PolarHBondContact O-N 3.16Å; K348-R352 VanDerWaalsContact O-N 3.08Å
349R85.6Confident84.1Confident14 Ų1469 Ų695%0.05332%0.323CS..Hα-helixtrans-66.8-38.7177-78.2174.3174.8160.86.9111.7E305 R335 L336 T340 L345 K346 D347 L353E305-R349 IonicContact OE1-CZ 3.3Å; E305-R349 IonicContact OE1-NE 3.61Å; E305-R349 PolarHBondContact OE1-NE 3.36Å; E305-R349 IonicContact OE1-NH2 3.93Å; E305-R349 PolarHBondContact OE1-NH2 3.18Å; E305-R349 IonicContact OE2-CZ 3.76Å; E305-R349 IonicContact OE2-NE 2.72Å; E305-R349 PolarHBondContact OE2-NE 3.18Å; E305-R349 IonicContact OE2-NH2 2.74Å; R335-R349 WeakPolarHBondContact O-CD 3.1Å; R335-R349 PolarHBondContact O-NH1 3.12Å; L336-R349 HydrophobicContact CD1-CB 4.37Å; T340-R349 PolarHBondContact OG1-NH1 3.16Å; L345-R349 HydrophobicContact CD1-CG 4.41Å; L345-R349 WeakPolarHBondContact O-CB 3.3Å; L345-R349 VanDerWaalsContact O-CG 3.29Å; L345-R349 WeakPolarHBondContact O-CG 3.2Å; L345-R349 PolarHBondContact O-N 3.43Å; L345-R349 VanDerWaalsContact O-N 3.13Å; K346-R349 PolarHBondContact O-N 3.23Å; D347-R349 PolarHBondContact O-N 3.48Å; R349-L353 WeakPolarHBondContact O-CB 3.37Å; R349-L353 PolarHBondContact O-N 3.45Å
350Q86.3Confident84.7Confident46 Ų4659.2 Ų59.222%0.21528%0.28CS..Hα-helixtrans-68.6-48.8178.6-174.5-179.2-47.200111.2L336 K346 D347 K348 R352 L353 L354 I377L336-Q350 HydrophobicContact CD1-CB 4.16Å; K346-Q350 WeakPolarHBondContact O-CB 3.26Å; K346-Q350 PolarHBondContact O-N 3.07Å; D347-Q350 WeakPolarHBondContact O-CB 3.3Å; D347-Q350 PolarHBondContact O-N 3.22Å; D347-Q350 VanDerWaalsContact O-N 3.11Å; K348-Q350 VanDerWaalsContact C-N 3.35Å; Q350-R352 VanDerWaalsContact C-N 3.3Å; Q350-R352 PolarHBondContact O-N 3.33Å; Q350-L353 PolarHBondContact O-N 3.05Å; Q350-L354 HydrophobicContact CG-CD1 4.26Å; Q350-L354 WeakPolarHBondContact O-CG 3.31Å; Q350-L354 PolarHBondContact O-N 3.22Å; Q350-I377 HydrophobicContact CG-CG2 3.84Å
351E86.7Confident85.3Confident130 Ų13059.3 Ų59.361%0.60728%0.279SS*.Hα-helixtrans-54.3-48.5175.2-74.1173.2179.100111D347 L353 L354 E355D347-E351 WeakPolarHBondContact O-CG 2.69Å; D347-E351 PolarHBondContact O-N 2.9Å; E351-L353 PolarHBondContact O-N 3.49Å; E351-L354 PolarHBondContact O-N 3.24Å; E351-E355 PolarHBondContact O-N 2.55Å
352R86.3Confident85.9Confident39 Ų3956.2 Ų56.215%0.14726%0.262CS..Hα-helixtrans-59.6-46.4178.2-169.2175.5-53.8167.46.1112.4E305 E306 C309 K348 Q350 L354 E355 V356E305-R352 VanDerWaalsContact C-NH1 3.27Å; E305-R352 PolarHBondContact O-NH1 3.02Å; E305-R352 VanDerWaalsContact O-NH1 3.15Å; E306-R352 VanDerWaalsContact CG-NH2 3.25Å; E306-R352 IonicContact OE1-NH2 3.47Å; C309-R352 WeakPolarHBondContact SG-CD 3.03Å; C309-R352 PolarHBondContact SG-NH1 2.85Å; K348-R352 WeakPolarHBondContact O-CB 3.26Å; K348-R352 PolarHBondContact O-N 3.16Å; K348-R352 VanDerWaalsContact O-N 3.08Å; Q350-R352 VanDerWaalsContact C-N 3.3Å; Q350-R352 PolarHBondContact O-N 3.33Å; R352-L354 VanDerWaalsContact C-N 3.34Å; R352-L354 PolarHBondContact O-N 3.34Å; R352-E355 PolarHBondContact O-N 3.2Å; R352-V356 HydrophobicContact CG-CG2 4.36Å; R352-V356 WeakPolarHBondContact O-CG2 3.49Å; R352-V356 PolarHBondContact O-N 2.78Å
353L88.5Confident86.1Confident0 Ų057.2 Ų57.20%027%0.27CS..Hα-helixtrans-62.8-42.2179.1174.662.7000111.6V329 C332 L333 L336 R349 Q350 E351 E355 V356 L357 I377V329-L353 HydrophobicContact CG1-CD1 4.38Å; C332-L353 HydrophobicContact CB-CB 4.08Å; C332-L353 HydrophobicContact CB-CD1 3.52Å; C332-L353 HydrophobicContact CB-CG 4.33Å; L333-L353 HydrophobicContact CD2-CD1 4.26Å; L333-L353 HydrophobicContact CD2-CD2 3.59Å; L333-L353 HydrophobicContact CG-CD1 4Å; L333-L353 HydrophobicContact CG-CD2 4.16Å; L336-L353 HydrophobicContact CD2-CD2 3.76Å; R349-L353 WeakPolarHBondContact O-CB 3.37Å; R349-L353 PolarHBondContact O-N 3.45Å; Q350-L353 PolarHBondContact O-N 3.05Å; E351-L353 PolarHBondContact O-N 3.49Å; L353-E355 VanDerWaalsContact C-N 3.35Å; L353-V356 PolarHBondContact O-N 2.95Å; L353-L357 HydrophobicContact CD1-CD1 3.81Å; L353-L357 HydrophobicContact CD1-CG 3.96Å; L353-L357 HydrophobicContact CG-CD1 3.78Å; L353-L357 HydrophobicContact CG-CG 4.37Å; L353-L357 WeakPolarHBondContact O-CB 3.37Å; L353-L357 WeakPolarHBondContact O-CD1 3.36Å; L353-L357 WeakPolarHBondContact O-CG 3.49Å; L353-L357 PolarHBondContact O-N 2.77Å; L353-I377 HydrophobicContact CD2-CD1 3.42Å; L353-I377 VanDerWaalsContact CD2-CD1 3.42Å; L353-I377 HydrophobicContact CG-CD1 4.46Å
354L87.5Confident86.2Confident33 Ų3356.2 Ų56.217%0.17328%0.275CS..Hα-helixtrans-62.5-42.5177.3-70174.5000111.4Q350 E351 R352 L357 Q358 W374 I377 L378Q350-L354 HydrophobicContact CG-CD1 4.26Å; Q350-L354 WeakPolarHBondContact O-CG 3.31Å; Q350-L354 PolarHBondContact O-N 3.22Å; E351-L354 PolarHBondContact O-N 3.24Å; R352-L354 VanDerWaalsContact C-N 3.34Å; R352-L354 PolarHBondContact O-N 3.34Å; L354-L357 PolarHBondContact O-N 3.19Å; L354-Q358 WeakPolarHBondContact O-CB 3.43Å; L354-Q358 PolarHBondContact O-N 2.8Å; L354-W374 VanDerWaalsContact CD2-CD1 3.5Å; L354-I377 HydrophobicContact CD2-CG2 4.02Å; L354-I377 HydrophobicContact CG-CG2 4.43Å; L354-L378 HydrophobicContact CD1-CD2 4.35Å; L354-L378 HydrophobicContact CD2-CD2 3.79Å; L354-L378 HydrophobicContact CD2-CG 4.13Å
355E88.1Confident86.4Confident113 Ų11351.8 Ų51.853%0.52826%0.256SS..Hα-helixtrans-62.1-46.3175.8-170.6-171.3161.500111.8E351 R352 L353 L357 Q358 R359E351-E355 PolarHBondContact O-N 2.55Å; R352-E355 PolarHBondContact O-N 3.2Å; L353-E355 VanDerWaalsContact C-N 3.35Å; E355-L357 PolarHBondContact O-N 3.47Å; E355-Q358 PolarHBondContact O-N 3.46Å; E355-R359 WeakPolarHBondContact O-CG 3.46Å; E355-R359 PolarHBondContact O-N 3.47Å
356V89.6Confident86.6Confident2 Ų251.6 Ų51.61%0.01226%0.255CS..Hα-helixtrans-62.8-43.8179177.90000111W325 Y328 V329 R352 L353 R359 A360W325-V356 HydrophobicContact CE3-CG1 4.23Å; W325-V356 HydrophobicContact CZ3-CG1 4.11Å; Y328-V356 HydrophobicContact CD1-CG1 3.52Å; Y328-V356 HydrophobicContact CD1-CG2 4.19Å; Y328-V356 HydrophobicContact CE1-CB 4.36Å; Y328-V356 HydrophobicContact CE1-CG1 3.81Å; Y328-V356 HydrophobicContact CE1-CG2 3.63Å; Y328-V356 HydrophobicContact CE2-CG2 4.16Å; Y328-V356 HydrophobicContact CG-CG1 3.96Å; V329-V356 HydrophobicContact CG2-CG1 3.77Å; R352-V356 HydrophobicContact CG-CG2 4.36Å; R352-V356 WeakPolarHBondContact O-CG2 3.49Å; R352-V356 PolarHBondContact O-N 2.78Å; L353-V356 PolarHBondContact O-N 2.95Å; V356-R359 PolarHBondContact O-N 3.37Å; V356-A360 VanDerWaalsContact O-CB 3.28Å; V356-A360 WeakPolarHBondContact O-CB 3.03Å; V356-A360 PolarHBondContact O-N 3.48Å
357L88.2Confident86.7Confident2 Ų251 Ų511%0.0125%0.252CS..Hα-helixtrans-63-43.4177.6-74.4167.9000111.5V329 L353 L354 E355 A360 H361 L366 F370 W374V329-L357 HydrophobicContact CG1-CD2 3.6Å; V329-L357 HydrophobicContact CG1-CG 4.46Å; V329-L357 HydrophobicContact CG2-CD2 4.04Å; L353-L357 HydrophobicContact CD1-CD1 3.81Å; L353-L357 HydrophobicContact CD1-CG 3.96Å; L353-L357 HydrophobicContact CG-CD1 3.78Å; L353-L357 HydrophobicContact CG-CG 4.37Å; L353-L357 WeakPolarHBondContact O-CB 3.37Å; L353-L357 WeakPolarHBondContact O-CD1 3.36Å; L353-L357 WeakPolarHBondContact O-CG 3.49Å; L353-L357 PolarHBondContact O-N 2.77Å; L354-L357 PolarHBondContact O-N 3.19Å; E355-L357 PolarHBondContact O-N 3.47Å; L357-A360 PolarHBondContact O-N 3.19Å; L357-H361 WeakPolarHBondContact O-CB 3.29Å; L357-H361 PolarHBondContact O-N 2.75Å; L357-L366 HydrophobicContact CD2-CD1 3.71Å; L357-L366 HydrophobicContact CD2-CD2 4.24Å; L357-F370 HydrophobicContact CD2-CB 4.06Å; L357-W374 HydrophobicContact CB-CD2 3.67Å; L357-W374 HydrophobicContact CB-CE3 3.84Å; L357-W374 HydrophobicContact CB-CG 4.23Å; L357-W374 HydrophobicContact CB-CH2 4.27Å; L357-W374 HydrophobicContact CB-CZ2 4.07Å; L357-W374 HydrophobicContact CB-CZ3 4.13Å; L357-W374 HydrophobicContact CD1-CB 3.86Å; L357-W374 HydrophobicContact CD1-CD2 4.01Å; L357-W374 HydrophobicContact CD1-CG 3.64Å; L357-W374 HydrophobicContact CG-CD2 4.33Å; L357-W374 HydrophobicContact CG-CG 4.44Å
358Q87.7Confident86.8Confident81 Ų8150.7 Ų50.738%0.37925%0.249SC..Hα-helixtrans-60.7-49.5175.6-172.764.642.900111.4L354 E355 A360 H361 D362 W374L354-Q358 WeakPolarHBondContact O-CB 3.43Å; L354-Q358 PolarHBondContact O-N 2.8Å; E355-Q358 PolarHBondContact O-N 3.46Å; Q358-A360 PolarHBondContact O-N 2.9Å; Q358-H361 WeakPolarHBondContact O-CA 3.4Å; Q358-H361 VanDerWaalsContact O-CB 3.32Å; Q358-H361 WeakPolarHBondContact O-CB 3.46Å; Q358-H361 PolarHBondContact O-N 2.91Å; Q358-H361 VanDerWaalsContact O-N 3.09Å; Q358-D362 PolarHBondContact NE2-OD1 2.99Å; Q358-D362 PolarHBondContact O-N 2.96Å; Q358-W374 HydrophobicContact CB-CH2 4.22Å; Q358-W374 HydrophobicContact CB-CZ2 4.05Å; Q358-W374 VanDerWaalsContact OE1-CZ2 3.28Å
359R89.4Confident86.8Confident85 Ų8551 Ų5132%0.32126%0.255SS..Hα-helixtrans-64.4-38179.5-71.217560.9-157-8.7112.9E313 W325 E355 V356 H361 S363E313-R359 VanDerWaalsContact CD-NH1 3.27Å; E313-R359 IonicContact OE1-CZ 2.73Å; E313-R359 IonicContact OE1-NH1 2.96Å; E313-R359 PolarHBondContact OE1-NH1 3.4Å; E313-R359 IonicContact OE1-NH2 3.65Å; E313-R359 IonicContact OE2-CZ 2.61Å; E313-R359 IonicContact OE2-NH1 2.65Å; E313-R359 PolarHBondContact OE2-NH1 3.35Å; E313-R359 IonicContact OE2-NH2 2.73Å; E313-R359 PolarHBondContact OE2-NH2 2.95Å; W325-R359 HydrophobicContact CH2-CB 3.73Å; W325-R359 HydrophobicContact CZ3-CB 4.12Å; E355-R359 WeakPolarHBondContact O-CG 3.46Å; E355-R359 PolarHBondContact O-N 3.47Å; V356-R359 PolarHBondContact O-N 3.37Å; R359-H361 VanDerWaalsContact C-N 3.3Å; R359-S363 VanDerWaalsContact O-CB 3.3Å; R359-S363 WeakPolarHBondContact O-CB 3.46Å; R359-S363 PolarHBondContact O-N 2.92Å; R359-S363 PolarHBondContact O-OG 2.95Å
360A87.8Confident86.9Confident0 Ų050.8 Ų50.80%025%0.254CS..Hα-helixtrans-66.3-34.2173.900000112W325 V356 L357 Q358 L365 L366W325-A360 HydrophobicContact CB-CB 4.3Å; W325-A360 HydrophobicContact CD2-CB 3.76Å; W325-A360 HydrophobicContact CE3-CB 3.55Å; W325-A360 HydrophobicContact CG-CB 4.11Å; W325-A360 HydrophobicContact CZ3-CB 4.12Å; V356-A360 VanDerWaalsContact O-CB 3.28Å; V356-A360 WeakPolarHBondContact O-CB 3.03Å; V356-A360 PolarHBondContact O-N 3.48Å; L357-A360 PolarHBondContact O-N 3.19Å; Q358-A360 PolarHBondContact O-N 2.9Å; A360-L365 PolarHBondContact O-N 3.23Å; A360-L366 HydrophobicContact CB-CB 3.91Å; A360-L366 HydrophobicContact CB-CD1 3.94Å; A360-L366 HydrophobicContact CB-CG 4.47Å; A360-L366 PolarHBondContact O-N 2.98Å
361H86.9Confident86.8Confident26 Ų2648.6 Ų48.612%0.1224%0.244CC..Hα-helixtrans-66.8-52174.1174.762.5000111.4L357 Q358 R359 S363 S364 L366 Y371 W374 S393 R397L357-H361 WeakPolarHBondContact O-CB 3.29Å; L357-H361 PolarHBondContact O-N 2.75Å; Q358-H361 WeakPolarHBondContact O-CA 3.4Å; Q358-H361 VanDerWaalsContact O-CB 3.32Å; Q358-H361 WeakPolarHBondContact O-CB 3.46Å; Q358-H361 PolarHBondContact O-N 2.91Å; Q358-H361 VanDerWaalsContact O-N 3.09Å; R359-H361 VanDerWaalsContact C-N 3.3Å; H361-S363 PolarHBondContact O-N 3.46Å; H361-S364 WeakPolarHBondContact O-CA 3.24Å; H361-S364 PolarHBondContact O-N 2.75Å; H361-L366 HydrophobicContact CB-CD2 4.27Å; H361-Y371 PolarHBondContact CE1-OH 3.28Å; H361-Y371 AromaticContact ND1-CZ 3.81Å; H361-Y371 PolarHBondContact ND1-OH 3.31Å; H361-W374 HydrophobicContact CB-CH2 3.85Å; H361-W374 HydrophobicContact CB-CZ3 3.72Å; H361-S393 PolarHBondContact CE1-OG 3.41Å; H361-S393 PolarHBondContact NE2-OG 2.97Å; H361-R397 PolarHBondContact O-NH1 2.93Å
362D86.8Confident86.8Confident103 Ų10347.6 Ų47.655%0.55124%0.238SC*.Hα-helixtrans-60.1-35.8179.5-61.6-19.4000111.2Q358 S364Q358-D362 PolarHBondContact NE2-OD1 2.99Å; Q358-D362 PolarHBondContact O-N 2.96Å; D362-S364 PolarHBondContact O-N 3.29Å
363S84.8Confident86.7Confident47 Ų4747.9 Ų47.933%0.32924%0.242SC..THydrogen-bonded Turntrans-73.5-1.8175.3-570000114R359 H361 L365R359-S363 VanDerWaalsContact O-CB 3.3Å; R359-S363 WeakPolarHBondContact O-CB 3.46Å; R359-S363 PolarHBondContact O-N 2.92Å; R359-S363 PolarHBondContact O-OG 2.95Å; H361-S363 PolarHBondContact O-N 3.46Å; S363-L365 WeakPolarHBondContact O-CG 3.45Å; S363-L365 PolarHBondContact O-N 2.96Å
364S83.3Confident86.7Confident87 Ų8748.1 Ų48.161%0.60824%0.243SC*.THydrogen-bonded Turntrans59.226.9-175.4-61.70000114.7H361 D362 R397H361-S364 WeakPolarHBondContact O-CA 3.24Å; H361-S364 PolarHBondContact O-N 2.75Å; D362-S364 PolarHBondContact O-N 3.29Å; S364-R397 VanDerWaalsContact C-CZ 3.42Å; S364-R397 VanDerWaalsContact CA-NH1 3.31Å; S364-R397 PolarHBondContact O-NH2 3.01Å
365L86.4Confident86.6Confident38 Ų3846.7 Ų46.720%0.19924%0.235CC..  trans-121.6-0.6-175.9-66.8171.2000114.9N320 E322 W325 A360 S363 R397N320-L365 WeakPolarHBondContact O-CD1 3.1Å; N320-L365 WeakPolarHBondContact OD1-CD1 3.37Å; E322-L365 HydrophobicContact CB-CD2 4.11Å; E322-L365 WeakPolarHBondContact CG-O 3.31Å; W325-L365 HydrophobicContact CG-CB 4.28Å; A360-L365 PolarHBondContact O-N 3.23Å; S363-L365 WeakPolarHBondContact O-CG 3.45Å; S363-L365 PolarHBondContact O-N 2.96Å; L365-R397 VanDerWaalsContact N-NH2 3.14Å
366L86.8Confident86.5Confident2 Ų246.1 Ų46.11%0.0123%0.233CC..  trans-70.3127.3172.3-173.165.9000113.3V329 L357 A360 H361 F370 Y371 W374 R397 Y398V329-L366 HydrophobicContact CG2-CD1 4.22Å; L357-L366 HydrophobicContact CD2-CD1 3.71Å; L357-L366 HydrophobicContact CD2-CD2 4.24Å; A360-L366 HydrophobicContact CB-CB 3.91Å; A360-L366 HydrophobicContact CB-CD1 3.94Å; A360-L366 HydrophobicContact CB-CG 4.47Å; A360-L366 PolarHBondContact O-N 2.98Å; H361-L366 HydrophobicContact CB-CD2 4.27Å; L366-F370 HydrophobicContact CD1-CB 3.74Å; L366-F370 HydrophobicContact CD1-CD2 3.76Å; L366-F370 HydrophobicContact CD1-CG 4.07Å; L366-F370 HydrophobicContact CG-CB 4.22Å; L366-Y371 HydrophobicContact CD2-CD2 4.27Å; L366-Y371 HydrophobicContact CD2-CE1 4.45Å; L366-Y371 HydrophobicContact CD2-CE2 3.8Å; L366-Y371 HydrophobicContact CG-CE2 4.16Å; L366-W374 HydrophobicContact CD2-CE3 3.75Å; L366-W374 HydrophobicContact CD2-CZ3 3.69Å; L366-R397 PolarHBondContact O-NH2 3.09Å; L366-Y398 PolarHBondContact O-OH 3.35Å
367K85.6Confident86.3Confident69 Ų6946.8 Ų46.830%0.324%0.236SC..  trans-70.6150.3174.6-69.9-177.5171.7176.30113.3E322 T326 N369 F370E322-K367 HydrophobicContact CG-CG 3.97Å; E322-K367 WeakPolarHBondContact OE1-CE 3.38Å; E322-K367 IonicContact OE1-NZ 2.72Å; T326-K367 HydrophobicContact CG2-CD 4.23Å; T326-K367 WeakPolarHBondContact OG1-CD 3.47Å; T326-K367 WeakPolarHBondContact OG1-CE 3.47Å; K367-N369 VanDerWaalsContact C-N 3.3Å; K367-N369 WeakPolarHBondContact CB-OD1 3.29Å; K367-N369 PolarHBondContact O-N 3.46Å; K367-F370 HydrophobicContact CB-CD2 3.81Å; K367-F370 HydrophobicContact CB-CE2 3.95Å; K367-F370 HydrophobicContact CD-CE2 4.44Å; K367-F370 HydrophobicContact CG-CE2 4.5Å; K367-F370 PolarHBondContact O-N 2.59Å
368E86.2Confident86.2Confident59 Ų5947.2 Ų47.228%0.27624%0.238SC..THydrogen-bonded Turntrans-50.5-44.4178.6170.8170.7168.100113.7F370 Y371 Y398 S401 S403 V404E368-F370 PolarHBondContact O-N 3.3Å; E368-F370 VanDerWaalsContact O-N 3.08Å; E368-Y371 WeakPolarHBondContact O-CD2 2.83Å; E368-Y371 PolarHBondContact O-N 2.88Å; E368-Y371 VanDerWaalsContact O-N 3.14Å; E368-Y398 HydrophobicContact CB-CD1 4.48Å; E368-Y398 HydrophobicContact CB-CE1 4.28Å; E368-S401 PolarHBondContact OE1-OG 2.98Å; E368-S401 WeakPolarHBondContact OE2-CB 3.38Å; E368-S401 PolarHBondContact OE2-OG 3.23Å; E368-S403 VanDerWaalsContact OE1-CB 3.28Å; E368-S403 WeakPolarHBondContact OE1-CB 3.45Å; E368-S403 PolarHBondContact OE1-OG 3.03Å; E368-V404 HydrophobicContact CB-CG2 4.41Å; E368-V404 HydrophobicContact CG-CG2 3.4Å; E368-V404 VanDerWaalsContact CG-CG2 3.4Å; E368-V404 WeakPolarHBondContact OE1-CG2 3.42Å
369N85.3Confident86Confident96 Ų9646.1 Ų46.151%0.51324%0.235SC..Hα-helixtrans-61.1-22.1-174.662.5-20.5000113.9K367K367-N369 VanDerWaalsContact C-N 3.3Å; K367-N369 WeakPolarHBondContact CB-OD1 3.29Å; K367-N369 PolarHBondContact O-N 3.46Å
370F86.3Confident85.7Confident9 Ų946.7 Ų46.74%0.03925%0.251CS..Hα-helixtrans-81.1-18.8-179.4-64.4-59.6000113.7T326 V329 V330 L333 L357 L366 K367 E368 K372 N373 W374T326-F370 HydrophobicContact CG2-CE2 4.01Å; T326-F370 HydrophobicContact CG2-CZ 3.94Å; V329-F370 HydrophobicContact CB-CE1 4.41Å; V329-F370 HydrophobicContact CB-CZ 4.4Å; V329-F370 HydrophobicContact CG1-CB 4.44Å; V329-F370 HydrophobicContact CG1-CD1 3.49Å; V329-F370 VanDerWaalsContact CG1-CD1 3.49Å; V329-F370 HydrophobicContact CG1-CD2 4.21Å; V329-F370 HydrophobicContact CG1-CE1 3.66Å; V329-F370 HydrophobicContact CG1-CE2 4.35Å; V329-F370 HydrophobicContact CG1-CG 3.8Å; V329-F370 HydrophobicContact CG1-CZ 4.09Å; V330-F370 HydrophobicContact CG2-CE1 3.97Å; V330-F370 HydrophobicContact CG2-CZ 3.79Å; L333-F370 HydrophobicContact CD1-CD1 3.73Å; L333-F370 HydrophobicContact CD1-CE1 3.8Å; L357-F370 HydrophobicContact CD2-CB 4.06Å; L366-F370 HydrophobicContact CD1-CB 3.74Å; L366-F370 HydrophobicContact CD1-CD2 3.76Å; L366-F370 HydrophobicContact CD1-CG 4.07Å; L366-F370 HydrophobicContact CG-CB 4.22Å; K367-F370 HydrophobicContact CB-CD2 3.81Å; K367-F370 HydrophobicContact CB-CE2 3.95Å; K367-F370 HydrophobicContact CD-CE2 4.44Å; K367-F370 HydrophobicContact CG-CE2 4.5Å; K367-F370 PolarHBondContact O-N 2.59Å; E368-F370 PolarHBondContact O-N 3.3Å; E368-F370 VanDerWaalsContact O-N 3.08Å; F370-K372 VanDerWaalsContact C-N 3.29Å; F370-K372 PolarHBondContact O-N 2.85Å; F370-N373 PolarHBondContact O-N 3.31Å; F370-W374 WeakPolarHBondContact O-CB 3.28Å; F370-W374 PolarHBondContact O-N 2.91Å
371Y85.5Confident85.3Confident0 Ų048.3 Ų48.30%026%0.263CS..Hα-helixtrans-64.1-34.2178.4-77.8-90.5000112.7H361 L366 E368 W374 L375 L390 A394 R397 Y398H361-Y371 PolarHBondContact CE1-OH 3.28Å; H361-Y371 AromaticContact ND1-CZ 3.81Å; H361-Y371 PolarHBondContact ND1-OH 3.31Å; L366-Y371 HydrophobicContact CD2-CD2 4.27Å; L366-Y371 HydrophobicContact CD2-CE1 4.45Å; L366-Y371 HydrophobicContact CD2-CE2 3.8Å; L366-Y371 HydrophobicContact CG-CE2 4.16Å; E368-Y371 WeakPolarHBondContact O-CD2 2.83Å; E368-Y371 PolarHBondContact O-N 2.88Å; E368-Y371 VanDerWaalsContact O-N 3.14Å; Y371-W374 HydrophobicContact CD1-CE3 4.42Å; Y371-W374 HydrophobicContact CE1-CE3 4.46Å; Y371-W374 HydrophobicContact CE1-CZ3 4.38Å; Y371-W374 PolarHBondContact O-N 3.31Å; Y371-L375 WeakPolarHBondContact O-CB 3.36Å; Y371-L375 WeakPolarHBondContact O-CG 3.49Å; Y371-L375 PolarHBondContact O-N 3.21Å; Y371-L390 HydrophobicContact CD1-CD1 4.01Å; Y371-L390 HydrophobicContact CD1-CG 4.37Å; Y371-L390 HydrophobicContact CE1-CD1 3.79Å; Y371-A394 HydrophobicContact CD1-CB 3.41Å; Y371-A394 VanDerWaalsContact CD1-CB 3.41Å; Y371-A394 HydrophobicContact CE1-CB 3.41Å; Y371-A394 VanDerWaalsContact CE1-CB 3.41Å; Y371-A394 HydrophobicContact CG-CB 4.18Å; Y371-R397 WeakPolarHBondContact OH-CD 3.37Å; Y371-Y398 HydrophobicContact CD2-CE2 4.46Å; Y371-Y398 HydrophobicContact CE2-CD2 4.08Å; Y371-Y398 AromaticContact CE2-CE2 3.68Å; Y371-Y398 HydrophobicContact CE2-CE2 3.68Å
372K85.9Confident85Confident109 Ų10949.6 Ų49.647%0.47428%0.283SS..Hα-helixtrans-58.9-53.1173.4-175.7177.9175.2177.90111.2F370 W374 L375 E376 L407F370-K372 VanDerWaalsContact C-N 3.29Å; F370-K372 PolarHBondContact O-N 2.85Å; K372-W374 VanDerWaalsContact C-N 3.27Å; K372-W374 PolarHBondContact O-N 3Å; K372-L375 PolarHBondContact O-N 2.99Å; K372-E376 WeakPolarHBondContact CE-OE1 3.23Å; K372-E376 WeakPolarHBondContact O-CB 3.45Å; K372-E376 WeakPolarHBondContact O-CG 3.42Å; K372-E376 PolarHBondContact O-N 2.64Å; K372-L407 VanDerWaalsContact CA-CD2 3.49Å; K372-L407 HydrophobicContact CB-CD1 4.41Å; K372-L407 HydrophobicContact CB-CD2 3.78Å; K372-L407 HydrophobicContact CG-CD1 4.12Å; K372-L407 HydrophobicContact CG-CD2 4.4Å
373N84.7Confident84.7Confident45 Ų4549.5 Ų49.524%0.24128%0.279CS..Hα-helixtrans-62.5-39-180-61.819.3000110.9L333 F370 I377L333-N373 WeakPolarHBondContact CD1-ND2 3.33Å; L333-N373 HydrophobicContact CD2-CB 4.07Å; F370-N373 PolarHBondContact O-N 3.31Å; N373-I377 WeakPolarHBondContact O-CD1 3.42Å; N373-I377 WeakPolarHBondContact O-CG1 3.35Å; N373-I377 PolarHBondContact O-N 3.49Å
374W87.3Confident84.6Confident5 Ų550.7 Ų50.72%0.01929%0.285CS..Hα-helixtrans-65.1-47.5179.5-164.2-2.5000112.1L354 L357 Q358 H361 L366 F370 Y371 K372 I377 L378 L390L354-W374 VanDerWaalsContact CD2-CD1 3.5Å; L357-W374 HydrophobicContact CB-CD2 3.67Å; L357-W374 HydrophobicContact CB-CE3 3.84Å; L357-W374 HydrophobicContact CB-CG 4.23Å; L357-W374 HydrophobicContact CB-CH2 4.27Å; L357-W374 HydrophobicContact CB-CZ2 4.07Å; L357-W374 HydrophobicContact CB-CZ3 4.13Å; L357-W374 HydrophobicContact CD1-CB 3.86Å; L357-W374 HydrophobicContact CD1-CD2 4.01Å; L357-W374 HydrophobicContact CD1-CG 3.64Å; L357-W374 HydrophobicContact CG-CD2 4.33Å; L357-W374 HydrophobicContact CG-CG 4.44Å; Q358-W374 HydrophobicContact CB-CH2 4.22Å; Q358-W374 HydrophobicContact CB-CZ2 4.05Å; Q358-W374 VanDerWaalsContact OE1-CZ2 3.28Å; H361-W374 HydrophobicContact CB-CH2 3.85Å; H361-W374 HydrophobicContact CB-CZ3 3.72Å; L366-W374 HydrophobicContact CD2-CE3 3.75Å; L366-W374 HydrophobicContact CD2-CZ3 3.69Å; F370-W374 WeakPolarHBondContact O-CB 3.28Å; F370-W374 PolarHBondContact O-N 2.91Å; Y371-W374 HydrophobicContact CD1-CE3 4.42Å; Y371-W374 HydrophobicContact CE1-CE3 4.46Å; Y371-W374 HydrophobicContact CE1-CZ3 4.38Å; Y371-W374 PolarHBondContact O-N 3.31Å; K372-W374 VanDerWaalsContact C-N 3.27Å; K372-W374 PolarHBondContact O-N 3Å; W374-I377 PolarHBondContact O-N 3.13Å; W374-L378 WeakPolarHBondContact O-CG 3.43Å; W374-L378 PolarHBondContact O-N 2.95Å; W374-L390 HydrophobicContact CB-CD2 3.95Å; W374-L390 HydrophobicContact CD2-CD1 3.99Å; W374-L390 HydrophobicContact CD2-CD2 3.3Å; W374-L390 HydrophobicContact CD2-CG 4.29Å; W374-L390 HydrophobicContact CE3-CD1 3.55Å; W374-L390 HydrophobicContact CE3-CD2 3.66Å; W374-L390 HydrophobicContact CE3-CG 4.24Å; W374-L390 HydrophobicContact CG-CD2 3.43Å; W374-L390 VanDerWaalsContact CG-CD2 3.43Å; W374-L390 HydrophobicContact CH2-CD1 3.54Å; W374-L390 HydrophobicContact CH2-CD2 4.49Å; W374-L390 HydrophobicContact CZ2-CD1 4.03Å; W374-L390 HydrophobicContact CZ2-CD2 4.26Å; W374-L390 HydrophobicContact CZ3-CD1 3.3Å; W374-L390 HydrophobicContact CZ3-CD2 4.24Å; W374-L390 HydrophobicContact CZ3-CG 4.41Å
375L86.4Confident84.5Confident2 Ų254.6 Ų54.61%0.0129%0.293CS..Hα-helixtrans-63-43.4177-71.4170.1000111.5Y371 K372 I377 L378 L379 A387 L390 A391 L407 T411Y371-L375 WeakPolarHBondContact O-CB 3.36Å; Y371-L375 WeakPolarHBondContact O-CG 3.49Å; Y371-L375 PolarHBondContact O-N 3.21Å; K372-L375 PolarHBondContact O-N 2.99Å; L375-I377 VanDerWaalsContact C-N 3.3Å; L375-I377 PolarHBondContact O-N 3.07Å; L375-L378 PolarHBondContact O-N 3.41Å; L375-L379 WeakPolarHBondContact O-CB 3.27Å; L375-L379 WeakPolarHBondContact O-CG 3.48Å; L375-L379 PolarHBondContact O-N 3.39Å; L375-A387 HydrophobicContact CD2-CB 4.36Å; L375-A387 WeakPolarHBondContact CD2-O 3.39Å; L375-L390 HydrophobicContact CD2-CB 4.24Å; L375-L390 HydrophobicContact CD2-CD2 3.79Å; L375-L390 HydrophobicContact CD2-CG 4.09Å; L375-L390 HydrophobicContact CG-CD2 4.1Å; L375-A391 HydrophobicContact CD2-CB 4.32Å; L375-L407 HydrophobicContact CD1-CD1 4.48Å; L375-L407 HydrophobicContact CD1-CD2 3.94Å; L375-L407 HydrophobicContact CD1-CG 3.85Å; L375-T411 HydrophobicContact CD2-CG2 4.22Å
376E85.9Confident84.4Confident102 Ų10254.7 Ų54.748%0.47730%0.3SS..Hα-helixtrans-57.8-42.3175.6-75.1174.6-174.700112K372 S380K372-E376 WeakPolarHBondContact CE-OE1 3.23Å; K372-E376 WeakPolarHBondContact O-CB 3.45Å; K372-E376 WeakPolarHBondContact O-CG 3.42Å; K372-E376 PolarHBondContact O-N 2.64Å; E376-S380 WeakPolarHBondContact O-CB 3.29Å; E376-S380 PolarHBondContact O-N 2.99Å; E376-S380 PolarHBondContact O-OG 2.88Å
377I85.1Confident84.3Confident16 Ų1654.6 Ų54.68%0.08230%0.299CS..Hα-helixtrans-67.3-45.5178.1-67.6163.8000111L333 L336 Q350 L353 L354 N373 W374 L375 L379 S380 S381L333-I377 HydrophobicContact CD2-CD1 4.34Å; L336-I377 HydrophobicContact CD2-CD1 3.69Å; L336-I377 HydrophobicContact CD2-CG1 4.13Å; Q350-I377 HydrophobicContact CG-CG2 3.84Å; L353-I377 HydrophobicContact CD2-CD1 3.42Å; L353-I377 VanDerWaalsContact CD2-CD1 3.42Å; L353-I377 HydrophobicContact CG-CD1 4.46Å; L354-I377 HydrophobicContact CD2-CG2 4.02Å; L354-I377 HydrophobicContact CG-CG2 4.43Å; N373-I377 WeakPolarHBondContact O-CD1 3.42Å; N373-I377 WeakPolarHBondContact O-CG1 3.35Å; N373-I377 PolarHBondContact O-N 3.49Å; W374-I377 PolarHBondContact O-N 3.13Å; L375-I377 VanDerWaalsContact C-N 3.3Å; L375-I377 PolarHBondContact O-N 3.07Å; I377-L379 VanDerWaalsContact C-N 3.35Å; I377-L379 PolarHBondContact O-N 3.48Å; I377-S380 PolarHBondContact O-N 3.04Å; I377-S380 PolarHBondContact O-OG 3.41Å; I377-S381 WeakPolarHBondContact O-CB 3.47Å; I377-S381 PolarHBondContact O-N 3.24Å; I377-S381 PolarHBondContact O-OG 2.93Å
378L85.6Confident84.2Confident11 Ų1151.9 Ų51.96%0.05829%0.289CS..Hα-helixtrans-62.5-41.8178.2-72.3173.5000112L354 W374 L375 S381 G382 H383 A386 A387 L390L354-L378 HydrophobicContact CD1-CD2 4.35Å; L354-L378 HydrophobicContact CD2-CD2 3.79Å; L354-L378 HydrophobicContact CD2-CG 4.13Å; W374-L378 WeakPolarHBondContact O-CG 3.43Å; W374-L378 PolarHBondContact O-N 2.95Å; L375-L378 PolarHBondContact O-N 3.41Å; L378-S381 WeakPolarHBondContact CA-OG 3.15Å; L378-S381 PolarHBondContact O-N 3.16Å; L378-S381 PolarHBondContact O-OG 3.45Å; L378-G382 PolarHBondContact O-N 2.97Å; L378-H383 HydrophobicContact CD2-CB 4.09Å; L378-H383 PolarHBondContact O-N 3.01Å; L378-H383 VanDerWaalsContact O-N 3.08Å; L378-A386 HydrophobicContact CD2-CB 4.34Å; L378-A387 HydrophobicContact CB-CB 3.96Å; L378-A387 HydrophobicContact CD1-CB 4.39Å; L378-L390 HydrophobicContact CD1-CB 4.36Å; L378-L390 HydrophobicContact CD1-CD2 3.6Å
379L84.6Confident84.2Confident58 Ų5852.4 Ų52.430%0.30430%0.3SS..Hα-helixtrans-64.7-44.7176.1-69.5173.5000111.7L375 I377 S381 G382 A387 T411 L415L375-L379 WeakPolarHBondContact O-CB 3.27Å; L375-L379 WeakPolarHBondContact O-CG 3.48Å; L375-L379 PolarHBondContact O-N 3.39Å; I377-L379 VanDerWaalsContact C-N 3.35Å; I377-L379 PolarHBondContact O-N 3.48Å; L379-S381 PolarHBondContact O-N 2.89Å; L379-G382 PolarHBondContact O-N 3.41Å; L379-A387 HydrophobicContact CD2-CB 4.19Å; L379-T411 HydrophobicContact CD1-CG2 4.03Å; L379-T411 HydrophobicContact CD2-CG2 4.25Å; L379-T411 HydrophobicContact CG-CG2 4.45Å; L379-L415 HydrophobicContact CD2-CD1 4.19Å; L379-L415 HydrophobicContact CD2-CD2 3.7Å; L379-L415 HydrophobicContact CD2-CG 4.13Å
380S83.9Confident84.2Confident96 Ų9648.1 Ų48.167%0.67128%0.277SS*.Hα-helixtrans-65.3-25.5178.872.40000113.7E376 I377E376-S380 WeakPolarHBondContact O-CB 3.29Å; E376-S380 PolarHBondContact O-N 2.99Å; E376-S380 PolarHBondContact O-OG 2.88Å; I377-S380 PolarHBondContact O-N 3.04Å; I377-S380 PolarHBondContact O-OG 3.41Å
381S78.6Confident84.2Confident35 Ų3547.7 Ų47.725%0.24528%0.275CS..THydrogen-bonded Turntrans-93.5-1.2179.758.70000113.9I377 L378 L379 H383I377-S381 WeakPolarHBondContact O-CB 3.47Å; I377-S381 PolarHBondContact O-N 3.24Å; I377-S381 PolarHBondContact O-OG 2.93Å; L378-S381 WeakPolarHBondContact CA-OG 3.15Å; L378-S381 PolarHBondContact O-N 3.16Å; L378-S381 PolarHBondContact O-OG 3.45Å; L379-S381 PolarHBondContact O-N 2.89Å; S381-H383 WeakPolarHBondContact CB-ND1 3.32Å; S381-H383 PolarHBondContact O-ND1 3.36Å; S381-H383 PolarHBondContact OG-ND1 3.13Å
382G79.3Confident84.1Confident53 Ų5351 Ų5155%0.54629%0.292SS..THydrogen-bonded Turntrans79.98.7176.800000115.3L378 L379 T384L378-G382 PolarHBondContact O-N 2.97Å; L379-G382 PolarHBondContact O-N 3.41Å; G382-T384 VanDerWaalsContact C-N 3.28Å; G382-T384 PolarHBondContact O-N 3.33Å
383H81.8Confident84.1Confident101 Ų10147.2 Ų47.247%0.46828%0.28SS..  trans-83.567.8179.2-62.492.3000111.3L378 S381 E385 A386 A387L378-H383 HydrophobicContact CD2-CB 4.09Å; L378-H383 PolarHBondContact O-N 3.01Å; L378-H383 VanDerWaalsContact O-N 3.08Å; S381-H383 WeakPolarHBondContact CB-ND1 3.32Å; S381-H383 PolarHBondContact O-ND1 3.36Å; S381-H383 PolarHBondContact OG-ND1 3.13Å; H383-E385 PolarHBondContact O-N 3.48Å; H383-A386 HydrophobicContact CB-CB 4.17Å; H383-A386 PolarHBondContact O-N 3.48Å; H383-A387 WeakPolarHBondContact O-CB 3.45Å; H383-A387 PolarHBondContact O-N 2.86Å
384T81.8Confident84.1Confident72 Ų7245.1 Ų45.144%0.44227%0.268SS..Hα-helixtrans-63.5-41.6-173.153.50000113.6G382 A387 A388 L415G382-T384 VanDerWaalsContact C-N 3.28Å; G382-T384 PolarHBondContact O-N 3.33Å; T384-A387 PolarHBondContact O-N 3Å; T384-A388 PolarHBondContact O-N 2.83Å; T384-L415 HydrophobicContact CG2-CD2 3.68Å
385E82.2Confident84Confident169 Ų16945.2 Ų45.279%0.7927%0.27SS*.Hα-helixtrans-65.3-44.7178.9-67.2-178.117700111.9H383 A387 A388 S389H383-E385 PolarHBondContact O-N 3.48Å; E385-A387 VanDerWaalsContact C-N 3.32Å; E385-A387 PolarHBondContact O-N 2.69Å; E385-A388 PolarHBondContact O-N 3.28Å; E385-S389 PolarHBondContact O-N 3.24Å; E385-S389 PolarHBondContact O-OG 3.13Å
386A82.9Confident83.9Confident40 Ų4052.4 Ų52.433%0.33130%0.303SS..Hα-helixtrans-64.3-37.2176.800000111.8L378 H383 S389 L390L378-A386 HydrophobicContact CD2-CB 4.34Å; H383-A386 HydrophobicContact CB-CB 4.17Å; H383-A386 PolarHBondContact O-N 3.48Å; A386-S389 WeakPolarHBondContact CA-OG 3.49Å; A386-S389 PolarHBondContact O-OG 3.33Å; A386-L390 VanDerWaalsContact O-CB 3.24Å; A386-L390 WeakPolarHBondContact O-CB 3.27Å; A386-L390 PolarHBondContact O-N 3.08Å
387A85.1Confident83.8Confident0 Ų050.4 Ų50.40%029%0.291CS..Hα-helixtrans-64.4-41174.200000111.8L375 L378 L379 H383 T384 E385 L390 A391 L415L375-A387 HydrophobicContact CD2-CB 4.36Å; L375-A387 WeakPolarHBondContact CD2-O 3.39Å; L378-A387 HydrophobicContact CB-CB 3.96Å; L378-A387 HydrophobicContact CD1-CB 4.39Å; L379-A387 HydrophobicContact CD2-CB 4.19Å; H383-A387 WeakPolarHBondContact O-CB 3.45Å; H383-A387 PolarHBondContact O-N 2.86Å; T384-A387 PolarHBondContact O-N 3Å; E385-A387 VanDerWaalsContact C-N 3.32Å; E385-A387 PolarHBondContact O-N 2.69Å; A387-L390 PolarHBondContact O-N 2.89Å; A387-A391 WeakPolarHBondContact O-CB 3.29Å; A387-A391 PolarHBondContact O-N 2.84Å; A387-L415 HydrophobicContact CB-CD1 4Å
388A84.6Confident83.6Confident11 Ų1152.1 Ų52.19%0.09130%0.297CS..Hα-helixtrans-66-45.5176.600000111.9T384 E385 L390 A391 L392 L412 L415 C417T384-A388 PolarHBondContact O-N 2.83Å; E385-A388 PolarHBondContact O-N 3.28Å; A388-L390 VanDerWaalsContact C-N 3.32Å; A388-L390 PolarHBondContact O-N 3.3Å; A388-A391 PolarHBondContact O-N 3.15Å; A388-L392 WeakPolarHBondContact O-CG 3.28Å; A388-L392 PolarHBondContact O-N 2.91Å; A388-L392 VanDerWaalsContact O-N 3.11Å; A388-L412 HydrophobicContact CB-CD2 3.91Å; A388-L415 HydrophobicContact CB-CD1 4.18Å; A388-C417 HydrophobicContact CB-CB 4.17Å
389S84.8Confident83.6Confident71 Ų7154.4 Ų54.450%0.49731%0.309SS..Hα-helixtrans-63.1-39.7176.761.20000112.1E385 A386 L392 S393E385-S389 PolarHBondContact O-N 3.24Å; E385-S389 PolarHBondContact O-OG 3.13Å; A386-S389 WeakPolarHBondContact CA-OG 3.49Å; A386-S389 PolarHBondContact O-OG 3.33Å; S389-L392 PolarHBondContact O-N 3.16Å; S389-S393 PolarHBondContact O-N 2.84Å
390L86.8Confident83.6Confident6 Ų658.4 Ų58.43%0.03133%0.326CS..Hα-helixtrans-65.2-42.1176.5176.863.9000111.8Y371 W374 L375 L378 A386 A387 A388 L392 S393 A394Y371-L390 HydrophobicContact CD1-CD1 4.01Å; Y371-L390 HydrophobicContact CD1-CG 4.37Å; Y371-L390 HydrophobicContact CE1-CD1 3.79Å; W374-L390 HydrophobicContact CB-CD2 3.95Å; W374-L390 HydrophobicContact CD2-CD1 3.99Å; W374-L390 HydrophobicContact CD2-CD2 3.3Å; W374-L390 HydrophobicContact CD2-CG 4.29Å; W374-L390 HydrophobicContact CE3-CD1 3.55Å; W374-L390 HydrophobicContact CE3-CD2 3.66Å; W374-L390 HydrophobicContact CE3-CG 4.24Å; W374-L390 HydrophobicContact CG-CD2 3.43Å; W374-L390 VanDerWaalsContact CG-CD2 3.43Å; W374-L390 HydrophobicContact CH2-CD1 3.54Å; W374-L390 HydrophobicContact CH2-CD2 4.49Å; W374-L390 HydrophobicContact CZ2-CD1 4.03Å; W374-L390 HydrophobicContact CZ2-CD2 4.26Å; W374-L390 HydrophobicContact CZ3-CD1 3.3Å; W374-L390 HydrophobicContact CZ3-CD2 4.24Å; W374-L390 HydrophobicContact CZ3-CG 4.41Å; L375-L390 HydrophobicContact CD2-CB 4.24Å; L375-L390 HydrophobicContact CD2-CD2 3.79Å; L375-L390 HydrophobicContact CD2-CG 4.09Å; L375-L390 HydrophobicContact CG-CD2 4.1Å; L378-L390 HydrophobicContact CD1-CB 4.36Å; L378-L390 HydrophobicContact CD1-CD2 3.6Å; A386-L390 VanDerWaalsContact O-CB 3.24Å; A386-L390 WeakPolarHBondContact O-CB 3.27Å; A386-L390 PolarHBondContact O-N 3.08Å; A387-L390 PolarHBondContact O-N 2.89Å; A388-L390 VanDerWaalsContact C-N 3.32Å; A388-L390 PolarHBondContact O-N 3.3Å; L390-L392 VanDerWaalsContact C-N 3.28Å; L390-L392 PolarHBondContact O-N 2.89Å; L390-S393 PolarHBondContact O-N 3.26Å; L390-S393 PolarHBondContact O-OG 2.85Å; L390-S393 VanDerWaalsContact O-OG 3.13Å; L390-A394 VanDerWaalsContact O-CB 3.23Å; L390-A394 WeakPolarHBondContact O-CB 3.27Å; L390-A394 PolarHBondContact O-N 2.89Å
391A85Confident83.8Confident0 Ų054.8 Ų54.80%030%0.301CS..Hα-helixtrans-60-42.4176.900000110.8L375 A387 A388 T395 C408 L412L375-A391 HydrophobicContact CD2-CB 4.32Å; A387-A391 WeakPolarHBondContact O-CB 3.29Å; A387-A391 PolarHBondContact O-N 2.84Å; A388-A391 PolarHBondContact O-N 3.15Å; A391-T395 WeakPolarHBondContact O-CG2 3.28Å; A391-T395 PolarHBondContact O-N 3.24Å; A391-C408 HydrophobicContact CB-CB 3.94Å; A391-C408 PolarHBondContact O-SG 3.13Å; A391-C408 VanDerWaalsContact O-SG 3.34Å; A391-L412 HydrophobicContact CB-CD1 4.16Å; A391-L412 HydrophobicContact CB-CD2 4.1Å; A391-L412 HydrophobicContact CB-CG 3.92Å
392L84.6Confident84.2Confident70 Ų7054.1 Ų54.137%0.36630%0.295SS..Hα-helixtrans-64.9-47.1175.5-65.9172.1000112A388 S389 L390 A394 T395 Q396 L412 L423A388-L392 WeakPolarHBondContact O-CG 3.28Å; A388-L392 PolarHBondContact O-N 2.91Å; A388-L392 VanDerWaalsContact O-N 3.11Å; S389-L392 PolarHBondContact O-N 3.16Å; L390-L392 VanDerWaalsContact C-N 3.28Å; L390-L392 PolarHBondContact O-N 2.89Å; L392-A394 VanDerWaalsContact C-N 3.31Å; L392-A394 PolarHBondContact O-N 3.48Å; L392-T395 PolarHBondContact O-N 3.02Å; L392-T395 PolarHBondContact O-OG1 3.42Å; L392-Q396 PolarHBondContact O-N 2.95Å; L392-L412 HydrophobicContact CD2-CD1 4.03Å; L392-L423 HydrophobicContact CD2-CD1 4.33Å; L392-L423 HydrophobicContact CD2-CD2 3.64Å
393S85.1Confident84.5Confident29 Ų2955 Ų5520%0.20329%0.293CS..Hα-helixtrans-65.6-34179.774.10000112.8H361 S389 L390 Q396 R397H361-S393 PolarHBondContact CE1-OG 3.41Å; H361-S393 PolarHBondContact NE2-OG 2.97Å; S389-S393 PolarHBondContact O-N 2.84Å; L390-S393 PolarHBondContact O-N 3.26Å; L390-S393 PolarHBondContact O-OG 2.85Å; L390-S393 VanDerWaalsContact O-OG 3.13Å; S393-Q396 PolarHBondContact O-N 3.4Å; S393-R397 PolarHBondContact O-N 3.28Å; S393-R397 VanDerWaalsContact O-N 3.13Å
394A85.5Confident84.7Confident0 Ų050.2 Ų50.20%027%0.271CS..Hα-helixtrans-61.7-44.3174.400000111.8Y371 L390 L392 Q396 R397 Y398 V404Y371-A394 HydrophobicContact CD1-CB 3.41Å; Y371-A394 VanDerWaalsContact CD1-CB 3.41Å; Y371-A394 HydrophobicContact CE1-CB 3.41Å; Y371-A394 VanDerWaalsContact CE1-CB 3.41Å; Y371-A394 HydrophobicContact CG-CB 4.18Å; L390-A394 VanDerWaalsContact O-CB 3.23Å; L390-A394 WeakPolarHBondContact O-CB 3.27Å; L390-A394 PolarHBondContact O-N 2.89Å; L392-A394 VanDerWaalsContact C-N 3.31Å; L392-A394 PolarHBondContact O-N 3.48Å; A394-Q396 PolarHBondContact O-N 3.28Å; A394-R397 PolarHBondContact O-N 3.27Å; A394-Y398 PolarHBondContact O-N 3.49Å; A394-V404 HydrophobicContact CB-CG1 3.86Å
395T84.3Confident85Confident8 Ų847.3 Ų47.35%0.04925%0.252CS..Hα-helixtrans-66.7-33.6178.3610000113.2A391 L392 N399 W405 C408A391-T395 WeakPolarHBondContact O-CG2 3.28Å; A391-T395 PolarHBondContact O-N 3.24Å; L392-T395 PolarHBondContact O-N 3.02Å; L392-T395 PolarHBondContact O-OG1 3.42Å; T395-N399 WeakPolarHBondContact O-CA 3.48Å; T395-N399 WeakPolarHBondContact O-CB 3.33Å; T395-N399 PolarHBondContact O-N 3.43Å; T395-W405 HydrophobicContact CG2-CD2 3.75Å; T395-W405 HydrophobicContact CG2-CE3 3.34Å; T395-W405 HydrophobicContact CG2-CH2 4.06Å; T395-W405 HydrophobicContact CG2-CZ2 4.39Å; T395-W405 HydrophobicContact CG2-CZ3 3.52Å; T395-C408 HydrophobicContact CG2-CB 3.52Å
396Q84.6Confident85.2Confident153 Ų15340.1 Ų40.172%0.71522%0.22SC*.Hα-helixtrans-67.1-40.2174.6-70176.7-5.100111.6L392 S393 A394L392-Q396 PolarHBondContact O-N 2.95Å; S393-Q396 PolarHBondContact O-N 3.4Å; A394-Q396 PolarHBondContact O-N 3.28Å
397R82.9Confident85.4Confident59 Ų5939.9 Ų39.922%0.22321%0.213CC..Hα-helixtrans-74.7-43.9-178.2-178.1171.4169.7172.7-10.2113.1H361 S364 L365 L366 Y371 S393 A394H361-R397 PolarHBondContact O-NH1 2.93Å; S364-R397 VanDerWaalsContact C-CZ 3.42Å; S364-R397 VanDerWaalsContact CA-NH1 3.31Å; S364-R397 PolarHBondContact O-NH2 3.01Å; L365-R397 VanDerWaalsContact N-NH2 3.14Å; L366-R397 PolarHBondContact O-NH2 3.09Å; Y371-R397 WeakPolarHBondContact OH-CD 3.37Å; S393-R397 PolarHBondContact O-N 3.28Å; S393-R397 VanDerWaalsContact O-N 3.13Å; A394-R397 PolarHBondContact O-N 3.27Å
398Y82.8Confident85.4Confident53 Ų5339.9 Ų39.921%0.20821%0.213CC..THydrogen-bonded Turntrans-110.452.1-178.8-70.5-77000110.9L366 E368 Y371 A394 Q400 S401 V404L366-Y398 PolarHBondContact O-OH 3.35Å; E368-Y398 HydrophobicContact CB-CD1 4.48Å; E368-Y398 HydrophobicContact CB-CE1 4.28Å; Y371-Y398 HydrophobicContact CD2-CE2 4.46Å; Y371-Y398 HydrophobicContact CE2-CD2 4.08Å; Y371-Y398 AromaticContact CE2-CE2 3.68Å; Y371-Y398 HydrophobicContact CE2-CE2 3.68Å; A394-Y398 PolarHBondContact O-N 3.49Å; Y398-Q400 PolarHBondContact O-N 3Å; Y398-Q400 VanDerWaalsContact O-N 3.12Å; Y398-S401 PolarHBondContact O-N 2.86Å; Y398-V404 HydrophobicContact CD2-CG2 4.44Å; Y398-V404 HydrophobicContact CG-CG2 4.16Å
399N84.3Confident85.6Confident58 Ų5839.5 Ų39.531%0.3121%0.21SC..THydrogen-bonded Turntrans-61.9-21.8-173.763.32.9000114.8T395 W405 H430T395-N399 WeakPolarHBondContact O-CA 3.48Å; T395-N399 WeakPolarHBondContact O-CB 3.33Å; T395-N399 PolarHBondContact O-N 3.43Å; N399-W405 PolarHBondContact O-NE1 2.89Å; N399-H430 HydrophobicContact CB-CB 4.22Å; N399-H430 VanDerWaalsContact O-CB 3.29Å; N399-H430 WeakPolarHBondContact O-CB 3.29Å
400Q85.4Confident85.7Confident143 Ų14341.2 Ų41.267%0.66821%0.21SC*.THydrogen-bonded Turntrans-91.3-11.9176.8-70.4174.59.800113.3Y398 V402Y398-Q400 PolarHBondContact O-N 3Å; Y398-Q400 VanDerWaalsContact O-N 3.12Å; Q400-V402 PolarHBondContact O-N 3.1Å
401S87.3Confident85.6Confident19 Ų1941.4 Ų41.413%0.13321%0.211CC..  trans-87.3113.1-173-177.80000112.3E368 Y398 S403 V404 W405E368-S401 PolarHBondContact OE1-OG 2.98Å; E368-S401 WeakPolarHBondContact OE2-CB 3.38Å; E368-S401 PolarHBondContact OE2-OG 3.23Å; Y398-S401 PolarHBondContact O-N 2.86Å; S401-S403 VanDerWaalsContact C-N 3.25Å; S401-S403 PolarHBondContact O-N 2.8Å; S401-S403 PolarHBondContact OG-OG 3.33Å; S401-S403 VanDerWaalsContact OG-OG 3.07Å; S401-V404 PolarHBondContact O-N 3.17Å; S401-W405 PolarHBondContact O-N 2.88Å; S401-W405 VanDerWaalsContact O-N 3.12Å
402V86.5Confident85.6Confident21 Ų2141.6 Ų41.613%0.12721%0.212CC..Hα-helixtrans-57.8-39.4175.6178.90000111.5Q400 S406 V431 E435 P438 L439Q400-V402 PolarHBondContact O-N 3.1Å; V402-S406 VanDerWaalsContact O-CB 3.29Å; V402-S406 WeakPolarHBondContact O-CB 3.34Å; V402-S406 PolarHBondContact O-N 3.15Å; V402-S406 PolarHBondContact O-OG 3.48Å; V402-V431 HydrophobicContact CB-CG1 4.5Å; V402-V431 HydrophobicContact CG2-CG1 3.34Å; V402-E435 HydrophobicContact CG2-CB 3.76Å; V402-E435 WeakPolarHBondContact CG2-O 3.42Å; V402-P438 HydrophobicContact CG1-CB 4.21Å; V402-P438 HydrophobicContact CG1-CG 4.11Å; V402-L439 HydrophobicContact CG1-CG 4.17Å
403S85.5Confident85.6Confident71 Ų7142.3 Ų42.350%0.49721%0.21SC..Hα-helixtrans-68.4-42.1-17725.90000112E368 S401 S406 L407E368-S403 VanDerWaalsContact OE1-CB 3.28Å; E368-S403 WeakPolarHBondContact OE1-CB 3.45Å; E368-S403 PolarHBondContact OE1-OG 3.03Å; S401-S403 VanDerWaalsContact C-N 3.25Å; S401-S403 PolarHBondContact O-N 2.8Å; S401-S403 PolarHBondContact OG-OG 3.33Å; S401-S403 VanDerWaalsContact OG-OG 3.07Å; S403-S406 PolarHBondContact O-N 3.47Å; S403-L407 WeakPolarHBondContact O-CB 3.25Å; S403-L407 PolarHBondContact O-N 2.92Å
404V86.3Confident85.5Confident2 Ų248.2 Ų48.21%0.01223%0.234CC..Hα-helixtrans-62.8-51.1173.4179.80000110.4E368 A394 Y398 S401 S406 L407 C408E368-V404 HydrophobicContact CB-CG2 4.41Å; E368-V404 HydrophobicContact CG-CG2 3.4Å; E368-V404 VanDerWaalsContact CG-CG2 3.4Å; E368-V404 WeakPolarHBondContact OE1-CG2 3.42Å; A394-V404 HydrophobicContact CB-CG1 3.86Å; Y398-V404 HydrophobicContact CD2-CG2 4.44Å; Y398-V404 HydrophobicContact CG-CG2 4.16Å; S401-V404 PolarHBondContact O-N 3.17Å; V404-S406 VanDerWaalsContact C-N 3.31Å; V404-S406 PolarHBondContact O-N 3.03Å; V404-L407 PolarHBondContact O-N 3.34Å; V404-C408 WeakPolarHBondContact O-CB 3.3Å; V404-C408 PolarHBondContact O-N 2.6Å; V404-C408 PolarHBondContact O-SG 3.08Å
405W88.5Confident85.2Confident11 Ų1149.8 Ų49.84%0.04224%0.242CC..Hα-helixtrans-56.3-46178.6-82.9112.3000112.1T395 N399 S401 L407 C408 L409 D426 A427 V431 L439T395-W405 HydrophobicContact CG2-CD2 3.75Å; T395-W405 HydrophobicContact CG2-CE3 3.34Å; T395-W405 HydrophobicContact CG2-CH2 4.06Å; T395-W405 HydrophobicContact CG2-CZ2 4.39Å; T395-W405 HydrophobicContact CG2-CZ3 3.52Å; N399-W405 PolarHBondContact O-NE1 2.89Å; S401-W405 PolarHBondContact O-N 2.88Å; S401-W405 VanDerWaalsContact O-N 3.12Å; W405-L407 PolarHBondContact O-N 3.3Å; W405-C408 PolarHBondContact O-N 2.84Å; W405-L409 HydrophobicContact CB-CD1 4.4Å; W405-L409 HydrophobicContact CE3-CD1 4.2Å; W405-L409 HydrophobicContact CE3-CG 4.32Å; W405-L409 VanDerWaalsContact O-CB 3.24Å; W405-L409 WeakPolarHBondContact O-CB 3.24Å; W405-L409 WeakPolarHBondContact O-CD1 3.4Å; W405-L409 WeakPolarHBondContact O-CG 3.34Å; W405-L409 PolarHBondContact O-N 3.46Å; W405-D426 HydrophobicContact CH2-CB 4.19Å; W405-A427 HydrophobicContact CB-CB 4.35Å; W405-A427 HydrophobicContact CD2-CB 3.5Å; W405-A427 VanDerWaalsContact CD2-CB 3.5Å; W405-A427 HydrophobicContact CE3-CB 3.46Å; W405-A427 VanDerWaalsContact CE3-CB 3.46Å; W405-A427 HydrophobicContact CG-CB 3.92Å; W405-A427 HydrophobicContact CH2-CB 4.3Å; W405-A427 HydrophobicContact CZ2-CB 4.35Å; W405-A427 HydrophobicContact CZ3-CB 3.87Å; W405-V431 VanDerWaalsContact CD1-CG2 3.46Å; W405-V431 HydrophobicContact CG-CG2 4.36Å; W405-L439 HydrophobicContact CB-CD1 4.23Å; W405-L439 HydrophobicContact CB-CD2 3.69Å
406S86.9Confident84.9Confident17 Ų1752.7 Ų52.712%0.11927%0.273CS..Hα-helixtrans-60-46.8179.2-60.20000111.8V402 S403 V404 Q410 L439V402-S406 VanDerWaalsContact O-CB 3.29Å; V402-S406 WeakPolarHBondContact O-CB 3.34Å; V402-S406 PolarHBondContact O-N 3.15Å; V402-S406 PolarHBondContact O-OG 3.48Å; S403-S406 PolarHBondContact O-N 3.47Å; V404-S406 VanDerWaalsContact C-N 3.31Å; V404-S406 PolarHBondContact O-N 3.03Å; S406-Q410 WeakPolarHBondContact O-CB 3.32Å; S406-Q410 WeakPolarHBondContact O-CG 3.23Å; S406-Q410 PolarHBondContact O-N 3.33Å; S406-L439 WeakPolarHBondContact OG-CD2 3.46Å
407L87Confident84.2Confident36 Ų3647.6 Ų47.619%0.18825%0.254CS..Hα-helixtrans-63.5-46.8178.4174.268.8000112K372 L375 S403 V404 W405 T411K372-L407 VanDerWaalsContact CA-CD2 3.49Å; K372-L407 HydrophobicContact CB-CD1 4.41Å; K372-L407 HydrophobicContact CB-CD2 3.78Å; K372-L407 HydrophobicContact CG-CD1 4.12Å; K372-L407 HydrophobicContact CG-CD2 4.4Å; L375-L407 HydrophobicContact CD1-CD1 4.48Å; L375-L407 HydrophobicContact CD1-CD2 3.94Å; L375-L407 HydrophobicContact CD1-CG 3.85Å; S403-L407 WeakPolarHBondContact O-CB 3.25Å; S403-L407 PolarHBondContact O-N 2.92Å; V404-L407 PolarHBondContact O-N 3.34Å; W405-L407 PolarHBondContact O-N 3.3Å; L407-T411 WeakPolarHBondContact O-CB 3.41Å; L407-T411 PolarHBondContact O-N 2.88Å; L407-T411 PolarHBondContact O-OG1 3.08Å
408C85.9Confident83.7Confident0 Ų047.9 Ų47.90%028%0.275CS..Hα-helixtrans-65.8-44.9-179.7-67.60000111.4A391 T395 V404 W405 T411 L412A391-C408 HydrophobicContact CB-CB 3.94Å; A391-C408 PolarHBondContact O-SG 3.13Å; A391-C408 VanDerWaalsContact O-SG 3.34Å; T395-C408 HydrophobicContact CG2-CB 3.52Å; V404-C408 WeakPolarHBondContact O-CB 3.3Å; V404-C408 PolarHBondContact O-N 2.6Å; V404-C408 PolarHBondContact O-SG 3.08Å; W405-C408 PolarHBondContact O-N 2.84Å; C408-T411 PolarHBondContact O-N 3.24Å; C408-L412 WeakPolarHBondContact O-CB 3.35Å; C408-L412 VanDerWaalsContact O-CG 3.28Å; C408-L412 WeakPolarHBondContact O-CG 3.2Å; C408-L412 PolarHBondContact O-N 3.17Å
409L87.1Confident83.5Confident3 Ų348.8 Ų48.82%0.01628%0.284CS..Hα-helixtrans-65.6-39.7178.2-70.6163.8000112W405 T411 R413 M420 L423 F424 A427 L439W405-L409 HydrophobicContact CB-CD1 4.4Å; W405-L409 HydrophobicContact CE3-CD1 4.2Å; W405-L409 HydrophobicContact CE3-CG 4.32Å; W405-L409 VanDerWaalsContact O-CB 3.24Å; W405-L409 WeakPolarHBondContact O-CB 3.24Å; W405-L409 WeakPolarHBondContact O-CD1 3.4Å; W405-L409 WeakPolarHBondContact O-CG 3.34Å; W405-L409 PolarHBondContact O-N 3.46Å; L409-T411 VanDerWaalsContact C-N 3.32Å; L409-T411 PolarHBondContact O-N 2.98Å; L409-R413 VanDerWaalsContact O-CB 3.25Å; L409-R413 WeakPolarHBondContact O-CB 3.31Å; L409-R413 PolarHBondContact O-N 3.45Å; L409-M420 HydrophobicContact CB-CE 4.31Å; L409-M420 HydrophobicContact CD2-CE 3.82Å; L409-M420 WeakPolarHBondContact O-CE 3.48Å; L409-L423 HydrophobicContact CD2-CB 3.71Å; L409-F424 HydrophobicContact CB-CE1 4.23Å; L409-F424 HydrophobicContact CB-CZ 4.32Å; L409-F424 HydrophobicContact CD1-CD1 3.67Å; L409-F424 HydrophobicContact CD1-CE1 3.64Å; L409-F424 HydrophobicContact CD1-CZ 4.46Å; L409-F424 HydrophobicContact CD2-CD1 4.23Å; L409-F424 HydrophobicContact CD2-CE1 4.25Å; L409-F424 HydrophobicContact CD2-CG 4.37Å; L409-F424 HydrophobicContact CD2-CZ 4.4Å; L409-F424 HydrophobicContact CG-CD1 4.48Å; L409-F424 HydrophobicContact CG-CE1 4.26Å; L409-A427 HydrophobicContact CD1-CB 4.15Å; L409-L439 HydrophobicContact CD1-CD2 4.03Å
410Q87.1Confident83.4Confident106 Ų10646.6 Ų46.650%0.49527%0.272SS..Hα-helixtrans-61.7-42.1172.4-76.2174.1-0.300111.8S406 H414 L442S406-Q410 WeakPolarHBondContact O-CB 3.32Å; S406-Q410 WeakPolarHBondContact O-CG 3.23Å; S406-Q410 PolarHBondContact O-N 3.33Å; Q410-H414 PolarHBondContact O-N 2.92Å; Q410-L442 HydrophobicContact CG-CD1 4.21Å; Q410-L442 HydrophobicContact CG-CD2 3.92Å
411T84.1Confident83.2Confident10 Ų1041.7 Ų41.76%0.06126%0.256CS..Hα-helixtrans-66.7-47.1179.3-56.40000111.4L375 L379 L407 C408 L409 R413 H414 L415L375-T411 HydrophobicContact CD2-CG2 4.22Å; L379-T411 HydrophobicContact CD1-CG2 4.03Å; L379-T411 HydrophobicContact CD2-CG2 4.25Å; L379-T411 HydrophobicContact CG-CG2 4.45Å; L407-T411 WeakPolarHBondContact O-CB 3.41Å; L407-T411 PolarHBondContact O-N 2.88Å; L407-T411 PolarHBondContact O-OG1 3.08Å; C408-T411 PolarHBondContact O-N 3.24Å; L409-T411 VanDerWaalsContact C-N 3.32Å; L409-T411 PolarHBondContact O-N 2.98Å; T411-R413 VanDerWaalsContact C-N 3.32Å; T411-R413 PolarHBondContact O-N 3.36Å; T411-H414 PolarHBondContact O-N 3.46Å; T411-L415 HydrophobicContact CG2-CD1 4.01Å; T411-L415 VanDerWaalsContact O-CG 3.32Å; T411-L415 WeakPolarHBondContact O-CG 3.49Å; T411-L415 PolarHBondContact O-N 2.91Å
412L85Confident83.1Confident4 Ų447 Ų472%0.02128%0.276CS..Hα-helixtrans-64.2-37.5178.3-70.2170.7000111.9A388 A391 L392 C408 L415 G416 C417 M420 L423A388-L412 HydrophobicContact CB-CD2 3.91Å; A391-L412 HydrophobicContact CB-CD1 4.16Å; A391-L412 HydrophobicContact CB-CD2 4.1Å; A391-L412 HydrophobicContact CB-CG 3.92Å; L392-L412 HydrophobicContact CD2-CD1 4.03Å; C408-L412 WeakPolarHBondContact O-CB 3.35Å; C408-L412 VanDerWaalsContact O-CG 3.28Å; C408-L412 WeakPolarHBondContact O-CG 3.2Å; C408-L412 PolarHBondContact O-N 3.17Å; L412-L415 PolarHBondContact O-N 3.23Å; L412-G416 PolarHBondContact O-N 3.47Å; L412-C417 HydrophobicContact CD2-CB 4.4Å; L412-C417 PolarHBondContact O-N 2.88Å; L412-C417 VanDerWaalsContact O-N 3.17Å; L412-M420 HydrophobicContact CB-CE 4.45Å; L412-M420 HydrophobicContact CB-SD 3.77Å; L412-L423 HydrophobicContact CD1-CD1 3.69Å
413R84.6Confident83.1Confident86 Ų8646.9 Ų46.933%0.32528%0.275SS..Hα-helixtrans-60.3-47.5171.3-176.6-178.7-178.5-171.11.8111.8L409 T411 L415 G416 M420 Q445 A449 D450L409-R413 VanDerWaalsContact O-CB 3.25Å; L409-R413 WeakPolarHBondContact O-CB 3.31Å; L409-R413 PolarHBondContact O-N 3.45Å; T411-R413 VanDerWaalsContact C-N 3.32Å; T411-R413 PolarHBondContact O-N 3.36Å; R413-L415 VanDerWaalsContact C-N 3.25Å; R413-L415 PolarHBondContact O-N 3.41Å; R413-G416 PolarHBondContact O-N 2.93Å; R413-M420 HydrophobicContact CB-CE 4.14Å; R413-Q445 PolarHBondContact NH2-O 3.17Å; R413-A449 VanDerWaalsContact NH2-CB 3.27Å; R413-D450 IonicContact CZ-OD2 2.84Å; R413-D450 IonicContact NE-OD2 3.31Å; R413-D450 PolarHBondContact NE-OD2 3.14Å; R413-D450 IonicContact NH2-OD2 2.77Å; R413-D450 PolarHBondContact NH2-OD2 3.12Å
414H83.6Confident83.1Confident153 Ų15343.7 Ų43.771%0.70825%0.252SS*.Hα-helixtrans-61.9-35.1178.4-179.5-82.6000112.3Q410 T411Q410-H414 PolarHBondContact O-N 2.92Å; T411-H414 PolarHBondContact O-N 3.46Å
415L80.4Confident83Confident33 Ų3348.6 Ų48.617%0.17328%0.275CS..Hα-helixtrans-81.2-14.9178.5-65.6175.3000113.5L379 T384 A387 A388 T411 L412 R413 C417L379-L415 HydrophobicContact CD2-CD1 4.19Å; L379-L415 HydrophobicContact CD2-CD2 3.7Å; L379-L415 HydrophobicContact CD2-CG 4.13Å; T384-L415 HydrophobicContact CG2-CD2 3.68Å; A387-L415 HydrophobicContact CB-CD1 4Å; A388-L415 HydrophobicContact CB-CD1 4.18Å; T411-L415 HydrophobicContact CG2-CD1 4.01Å; T411-L415 VanDerWaalsContact O-CG 3.32Å; T411-L415 WeakPolarHBondContact O-CG 3.49Å; T411-L415 PolarHBondContact O-N 2.91Å; L412-L415 PolarHBondContact O-N 3.23Å; R413-L415 VanDerWaalsContact C-N 3.25Å; R413-L415 PolarHBondContact O-N 3.41Å; L415-C417 HydrophobicContact CB-CB 4.29Å; L415-C417 PolarHBondContact O-N 2.81Å; L415-C417 PolarHBondContact O-SG 3.26Å
416G77.4Confident82.9Confident68 Ų6851.3 Ų51.370%0.70129%0.29SS*.THydrogen-bonded Turntrans64.825.3-173.600000113.3L412 R413L412-G416 PolarHBondContact O-N 3.47Å; R413-G416 PolarHBondContact O-N 2.93Å
417C70.6Confident82.9Confident47 Ų4750.5 Ų50.532%0.31828%0.284SS..  trans-105.2133.4-173.2-66.40000112.1A388 L412 L415A388-C417 HydrophobicContact CB-CB 4.17Å; L412-C417 HydrophobicContact CD2-CB 4.4Å; L412-C417 PolarHBondContact O-N 2.88Å; L412-C417 VanDerWaalsContact O-N 3.17Å; L415-C417 HydrophobicContact CB-CB 4.29Å; L415-C417 PolarHBondContact O-N 2.81Å; L415-C417 PolarHBondContact O-SG 3.26Å
418G70.6Confident82.9Confident64 Ų6450.4 Ų50.466%0.6628%0.284SS*.SBendtrans91.216817200000114.9M420G418-M420 PolarHBondContact O-N 3.29Å; G418-M420 VanDerWaalsContact O-N 3.11Å
419D80Confident83Confident72 Ų7254.2 Ų54.239%0.38531%0.307SS..  trans-81.286.4174.7-171.7-23.6000109.1A421 K422 L423D419-A421 PolarHBondContact O-N 3.04Å; D419-A421 PolarHBondContact OD1-N 3.05Å; D419-K422 HydrophobicContact CB-CB 4.24Å; D419-K422 HydrophobicContact CB-CD 4.17Å; D419-K422 HydrophobicContact CB-CG 4.34Å; D419-K422 PolarHBondContact O-N 3.18Å; D419-K422 VanDerWaalsContact O-N 3.12Å; D419-K422 PolarHBondContact OD1-N 3.25Å; D419-K422 WeakPolarHBondContact OD2-CD 3.47Å; D419-K422 WeakPolarHBondContact OD2-CE 3.22Å; D419-K422 WeakPolarHBondContact OD2-CG 3.44Å; D419-K422 IonicContact OD2-NZ 3.44Å; D419-K422 PolarHBondContact OD2-NZ 2.86Å; D419-L423 WeakPolarHBondContact O-CG 3.38Å; D419-L423 PolarHBondContact O-N 3.23Å
420M82.1Confident82.9Confident13 Ų1358.8 Ų58.86%0.06433%0.328CS..Hα-helixtrans-56.6-34.3-176.8-68.9-57.7-61.800112.4L409 L412 R413 G418 K422 L423 F424 W446L409-M420 HydrophobicContact CB-CE 4.31Å; L409-M420 HydrophobicContact CD2-CE 3.82Å; L409-M420 WeakPolarHBondContact O-CE 3.48Å; L412-M420 HydrophobicContact CB-CE 4.45Å; L412-M420 HydrophobicContact CB-SD 3.77Å; R413-M420 HydrophobicContact CB-CE 4.14Å; G418-M420 PolarHBondContact O-N 3.29Å; G418-M420 VanDerWaalsContact O-N 3.11Å; M420-K422 PolarHBondContact O-N 2.81Å; M420-L423 PolarHBondContact O-N 3.29Å; M420-L423 HydrophobicContact SD-CD1 4.07Å; M420-F424 HydrophobicContact CB-CD2 4.47Å; M420-F424 HydrophobicContact CB-CE2 4.43Å; M420-F424 HydrophobicContact CE-CD2 4.43Å; M420-F424 HydrophobicContact CE-CE2 3.73Å; M420-F424 HydrophobicContact CE-CZ 4.15Å; M420-F424 WeakPolarHBondContact O-CD2 3.33Å; M420-F424 PolarHBondContact O-N 3.45Å; M420-W446 HydrophobicContact CB-CD2 4.22Å; M420-W446 HydrophobicContact CB-CH2 4.02Å; M420-W446 HydrophobicContact CB-CZ2 3.46Å; M420-W446 VanDerWaalsContact CB-CZ2 3.46Å; M420-W446 HydrophobicContact CG-CZ2 4.37Å
421A81.7Confident82.9Confident39 Ų3953.9 Ų53.932%0.32231%0.306SS..Hα-helixtrans-62.8-43.9178.200000111.8D419 H425 W446D419-A421 PolarHBondContact O-N 3.04Å; D419-A421 PolarHBondContact OD1-N 3.05Å; A421-H425 PolarHBondContact O-N 2.85Å; A421-H425 VanDerWaalsContact O-N 3.14Å; A421-W446 HydrophobicContact CB-CH2 3.97Å; A421-W446 HydrophobicContact CB-CZ3 4.37Å
422K84.8Confident82.9Confident130 Ų13056.9 Ų56.957%0.56532%0.321SS*.Hα-helixtrans-66.6-44.1174.2-70.9-179.4-171.5138.60111.8D419 M420 F424 H425 D426D419-K422 HydrophobicContact CB-CB 4.24Å; D419-K422 HydrophobicContact CB-CD 4.17Å; D419-K422 HydrophobicContact CB-CG 4.34Å; D419-K422 PolarHBondContact O-N 3.18Å; D419-K422 VanDerWaalsContact O-N 3.12Å; D419-K422 PolarHBondContact OD1-N 3.25Å; D419-K422 WeakPolarHBondContact OD2-CD 3.47Å; D419-K422 WeakPolarHBondContact OD2-CE 3.22Å; D419-K422 WeakPolarHBondContact OD2-CG 3.44Å; D419-K422 IonicContact OD2-NZ 3.44Å; D419-K422 PolarHBondContact OD2-NZ 2.86Å; M420-K422 PolarHBondContact O-N 2.81Å; K422-F424 VanDerWaalsContact C-N 3.34Å; K422-F424 PolarHBondContact O-N 3.29Å; K422-H425 CarbonylContact O-C 3.44Å; K422-H425 WeakPolarHBondContact O-CA 3.33Å; K422-H425 WeakPolarHBondContact O-CB 3.24Å; K422-H425 PolarHBondContact O-N 3.37Å; K422-D426 VanDerWaalsContact O-CG 3.3Å; K422-D426 PolarHBondContact O-N 2.82Å
423L85.2Confident82.8Confident20 Ų2059.8 Ų59.811%0.10534%0.341CS..Hα-helixtrans-61.7-40.3179.9-68.3169.2000112.7L392 L409 L412 D419 M420 H425 D426 A427L392-L423 HydrophobicContact CD2-CD1 4.33Å; L392-L423 HydrophobicContact CD2-CD2 3.64Å; L409-L423 HydrophobicContact CD2-CB 3.71Å; L412-L423 HydrophobicContact CD1-CD1 3.69Å; D419-L423 WeakPolarHBondContact O-CG 3.38Å; D419-L423 PolarHBondContact O-N 3.23Å; M420-L423 PolarHBondContact O-N 3.29Å; M420-L423 HydrophobicContact SD-CD1 4.07Å; L423-H425 VanDerWaalsContact C-N 3.34Å; L423-D426 PolarHBondContact O-N 3.25Å; L423-A427 WeakPolarHBondContact O-CB 3.39Å; L423-A427 PolarHBondContact O-N 3.03Å
424F85.6Confident82.7Confident4 Ų463.9 Ų63.92%0.01836%0.361CS..Hα-helixtrans-66.3-36.6172.6-80.1-66.8000112.3L409 M420 K422 L428 L442 Q443 W446L409-F424 HydrophobicContact CB-CE1 4.23Å; L409-F424 HydrophobicContact CB-CZ 4.32Å; L409-F424 HydrophobicContact CD1-CD1 3.67Å; L409-F424 HydrophobicContact CD1-CE1 3.64Å; L409-F424 HydrophobicContact CD1-CZ 4.46Å; L409-F424 HydrophobicContact CD2-CD1 4.23Å; L409-F424 HydrophobicContact CD2-CE1 4.25Å; L409-F424 HydrophobicContact CD2-CG 4.37Å; L409-F424 HydrophobicContact CD2-CZ 4.4Å; L409-F424 HydrophobicContact CG-CD1 4.48Å; L409-F424 HydrophobicContact CG-CE1 4.26Å; M420-F424 HydrophobicContact CB-CD2 4.47Å; M420-F424 HydrophobicContact CB-CE2 4.43Å; M420-F424 HydrophobicContact CE-CD2 4.43Å; M420-F424 HydrophobicContact CE-CE2 3.73Å; M420-F424 HydrophobicContact CE-CZ 4.15Å; M420-F424 WeakPolarHBondContact O-CD2 3.33Å; M420-F424 PolarHBondContact O-N 3.45Å; K422-F424 VanDerWaalsContact C-N 3.34Å; K422-F424 PolarHBondContact O-N 3.29Å; F424-L428 VanDerWaalsContact O-CG 3.3Å; F424-L428 WeakPolarHBondContact O-CG 3.47Å; F424-L428 PolarHBondContact O-N 3.14Å; F424-L428 VanDerWaalsContact O-N 3.14Å; F424-L442 HydrophobicContact CE1-CB 3.96Å; F424-L442 HydrophobicContact CZ-CB 4.33Å; F424-Q443 HydrophobicContact CB-CB 4.4Å; F424-Q443 HydrophobicContact CB-CG 3.97Å; F424-Q443 VanDerWaalsContact CB-NE2 3.34Å; F424-Q443 HydrophobicContact CD1-CB 3.61Å; F424-Q443 HydrophobicContact CD1-CG 4.06Å; F424-Q443 HydrophobicContact CD2-CB 4.3Å; F424-Q443 HydrophobicContact CD2-CG 4Å; F424-Q443 HydrophobicContact CE1-CB 3.84Å; F424-Q443 HydrophobicContact CG-CB 3.87Å; F424-Q443 HydrophobicContact CG-CG 3.77Å; F424-Q443 HydrophobicContact CZ-CB 4.32Å; F424-W446 HydrophobicContact CD2-CD2 4.28Å; F424-W446 AromaticContact CD2-CE3 3.86Å; F424-W446 HydrophobicContact CD2-CE3 3.86Å; F424-W446 HydrophobicContact CD2-CZ3 4.31Å; F424-W446 HydrophobicContact CE2-CB 3.91Å; F424-W446 AromaticContact CE2-CD2 3.76Å; F424-W446 HydrophobicContact CE2-CD2 3.76Å; F424-W446 AromaticContact CE2-CE3 3.74Å; F424-W446 HydrophobicContact CE2-CE3 3.74Å; F424-W446 AromaticContact CE2-CG 3.82Å; F424-W446 HydrophobicContact CE2-CG 3.82Å; F424-W446 HydrophobicContact CZ-CB 4.13Å; F424-W446 HydrophobicContact CZ-CG 4.47Å
425H85.9Confident82.8Confident104 Ų10462 Ų6248%0.48135%0.352SS..Hα-helixtrans-62.9-49.2174.9-177.368.4000111A421 K422 L423 A427 L428 T429A421-H425 PolarHBondContact O-N 2.85Å; A421-H425 VanDerWaalsContact O-N 3.14Å; K422-H425 CarbonylContact O-C 3.44Å; K422-H425 WeakPolarHBondContact O-CA 3.33Å; K422-H425 WeakPolarHBondContact O-CB 3.24Å; K422-H425 PolarHBondContact O-N 3.37Å; L423-H425 VanDerWaalsContact C-N 3.34Å; H425-A427 VanDerWaalsContact C-N 3.32Å; H425-A427 PolarHBondContact O-N 3.31Å; H425-L428 PolarHBondContact O-N 3.39Å; H425-L428 VanDerWaalsContact O-N 3.15Å; H425-T429 WeakPolarHBondContact O-CG2 3.42Å; H425-T429 PolarHBondContact O-N 3.24Å
426D85.4Confident83.2Confident68 Ų6860.6 Ų60.636%0.36435%0.345SS..Hα-helixtrans-61.9-39.3178.7-64.5-17.1000111.6W405 K422 L423 L428 T429 H430W405-D426 HydrophobicContact CH2-CB 4.19Å; K422-D426 VanDerWaalsContact O-CG 3.3Å; K422-D426 PolarHBondContact O-N 2.82Å; L423-D426 PolarHBondContact O-N 3.25Å; D426-L428 VanDerWaalsContact C-N 3.34Å; D426-L428 PolarHBondContact O-N 3.42Å; D426-T429 PolarHBondContact O-N 2.93Å; D426-T429 PolarHBondContact O-OG1 3.5Å; D426-H430 PolarHBondContact O-CD2 2.62Å; D426-H430 PolarHBondContact O-N 2.85Å
427A87.6Confident83.7Confident0 Ų059.7 Ų59.70%032%0.324CS..Hα-helixtrans-60-44.9174.500000111.9W405 L409 L423 H425 T429 H430 V431 L439W405-A427 HydrophobicContact CB-CB 4.35Å; W405-A427 HydrophobicContact CD2-CB 3.5Å; W405-A427 VanDerWaalsContact CD2-CB 3.5Å; W405-A427 HydrophobicContact CE3-CB 3.46Å; W405-A427 VanDerWaalsContact CE3-CB 3.46Å; W405-A427 HydrophobicContact CG-CB 3.92Å; W405-A427 HydrophobicContact CH2-CB 4.3Å; W405-A427 HydrophobicContact CZ2-CB 4.35Å; W405-A427 HydrophobicContact CZ3-CB 3.87Å; L409-A427 HydrophobicContact CD1-CB 4.15Å; L423-A427 WeakPolarHBondContact O-CB 3.39Å; L423-A427 PolarHBondContact O-N 3.03Å; H425-A427 VanDerWaalsContact C-N 3.32Å; H425-A427 PolarHBondContact O-N 3.31Å; A427-T429 VanDerWaalsContact C-N 3.33Å; A427-T429 PolarHBondContact O-N 3.47Å; A427-H430 PolarHBondContact O-N 2.81Å; A427-V431 VanDerWaalsContact O-CB 3.25Å; A427-V431 WeakPolarHBondContact O-CB 3.43Å; A427-V431 WeakPolarHBondContact O-CG2 3.3Å; A427-V431 PolarHBondContact O-N 3.33Å; A427-V431 VanDerWaalsContact O-N 3.12Å; A427-L439 HydrophobicContact CB-CD1 4.13Å
428L86.3Confident84.6Confident35 Ų3560 Ų6018%0.18333%0.326CS..Hα-helixtrans-74.3-19.9-177.9-69.2175.7000113.8F424 H425 D426 L439 W440F424-L428 VanDerWaalsContact O-CG 3.3Å; F424-L428 WeakPolarHBondContact O-CG 3.47Å; F424-L428 PolarHBondContact O-N 3.14Å; F424-L428 VanDerWaalsContact O-N 3.14Å; H425-L428 PolarHBondContact O-N 3.39Å; H425-L428 VanDerWaalsContact O-N 3.15Å; D426-L428 VanDerWaalsContact C-N 3.34Å; D426-L428 PolarHBondContact O-N 3.42Å; L428-L439 HydrophobicContact CD2-CB 4.03Å; L428-W440 HydrophobicContact CD1-CD2 4.17Å; L428-W440 HydrophobicContact CD1-CH2 4.35Å; L428-W440 HydrophobicContact CD1-CZ2 3.82Å; L428-W440 HydrophobicContact CD2-CG 4.34Å
429T87.1Confident85.4Confident80 Ų8057 Ų5749%0.49129%0.294SS..Hα-helixtrans-80.8-33.3174.857.50000112.4H425 D426 A427H425-T429 WeakPolarHBondContact O-CG2 3.42Å; H425-T429 PolarHBondContact O-N 3.24Å; D426-T429 PolarHBondContact O-N 2.93Å; D426-T429 PolarHBondContact O-OG1 3.5Å; A427-T429 VanDerWaalsContact C-N 3.33Å; A427-T429 PolarHBondContact O-N 3.47Å
430H85.1Confident85.9Confident98 Ų9854.5 Ų54.545%0.45428%0.28SS..Hα-helixtrans-91.6-27.8-176-71.4-61.6000114.5N399 D426 A427N399-H430 HydrophobicContact CB-CB 4.22Å; N399-H430 VanDerWaalsContact O-CB 3.29Å; N399-H430 WeakPolarHBondContact O-CB 3.29Å; D426-H430 PolarHBondContact O-CD2 2.62Å; D426-H430 PolarHBondContact O-N 2.85Å; A427-H430 PolarHBondContact O-N 2.81Å
431V86.8Confident86.2Confident4 Ų457 Ų572%0.02429%0.291CS..SBendtrans-85.1148-175.4171.30000111.8V402 W405 A427 P433 L439V402-V431 HydrophobicContact CB-CG1 4.5Å; V402-V431 HydrophobicContact CG2-CG1 3.34Å; W405-V431 VanDerWaalsContact CD1-CG2 3.46Å; W405-V431 HydrophobicContact CG-CG2 4.36Å; A427-V431 VanDerWaalsContact O-CB 3.25Å; A427-V431 WeakPolarHBondContact O-CB 3.43Å; A427-V431 WeakPolarHBondContact O-CG2 3.3Å; A427-V431 PolarHBondContact O-N 3.33Å; A427-V431 VanDerWaalsContact O-N 3.12Å; V431-P433 WeakPolarHBondContact O-CD 3.42Å; V431-L439 HydrophobicContact CB-CD1 4.17Å; V431-L439 HydrophobicContact CG1-CD1 4.1Å; V431-L439 HydrophobicContact CG2-CD1 3.96Å
432N84.4Confident86.4Confident73 Ų7356.1 Ų56.139%0.3928%0.281SS..  trans-55.6121.9174.3-177.9-9.3000110.7K434 E435 S436N432-K434 PolarHBondContact O-N 3.15Å; N432-K434 VanDerWaalsContact O-N 3.08Å; N432-K434 PolarHBondContact OD1-N 3.45Å; N432-K434 VanDerWaalsContact OD1-N 3.15Å; N432-E435 PolarHBondContact O-N 3.03Å; N432-S436 PolarHBondContact O-N 3.23Å
433P82.8Confident86.7Confident65 Ų6550.1 Ų50.142%0.42226%0.255SS..G310 helixtrans-53.1-37.7-177.9-29.735.8000113.4V431 E435 S436 V468V431-P433 WeakPolarHBondContact O-CD 3.42Å; P433-E435 PolarHBondContact O-N 2.95Å; P433-S436 PolarHBondContact O-N 3.46Å; P433-S436 PolarHBondContact O-OG 3.09Å; P433-V468 HydrophobicContact CB-CG2 3.64Å; P433-V468 WeakPolarHBondContact O-CG2 3.35Å
434K84.4Confident86.8Confident171 Ų17149.2 Ų49.274%0.74325%0.25SS*.G310 helixtrans-63.8-27-178.8-67.3-176178.4179.90113.6N432N432-K434 PolarHBondContact O-N 3.15Å; N432-K434 VanDerWaalsContact O-N 3.08Å; N432-K434 PolarHBondContact OD1-N 3.45Å; N432-K434 VanDerWaalsContact OD1-N 3.15Å
435E85.2Confident86.9Confident113 Ų11353.8 Ų53.853%0.52827%0.272SS..G310 helixtrans-103.6-2.5-176.9-59175.3-179.500112V402 N432 P433 L437 P438V402-E435 HydrophobicContact CG2-CB 3.76Å; V402-E435 WeakPolarHBondContact CG2-O 3.42Å; N432-E435 PolarHBondContact O-N 3.03Å; P433-E435 PolarHBondContact O-N 2.95Å; E435-L437 VanDerWaalsContact C-N 3.26Å; E435-L437 PolarHBondContact O-N 3.23Å; E435-P438 WeakPolarHBondContact O-CD 3.49Å
436S89.1Confident87Confident4 Ų450.1 Ų50.13%0.02825%0.253CS..  trans-76.4-3.8-174.670.20000115.1N432 P433 P438 L439 W440 I471N432-S436 PolarHBondContact O-N 3.23Å; P433-S436 PolarHBondContact O-N 3.46Å; P433-S436 PolarHBondContact O-OG 3.09Å; S436-P438 VanDerWaalsContact C-CD 3.49Å; S436-L439 WeakPolarHBondContact O-CB 3.39Å; S436-L439 PolarHBondContact O-N 3.29Å; S436-W440 PolarHBondContact O-N 3.38Å; S436-W440 VanDerWaalsContact O-N 3.1Å; S436-I471 WeakPolarHBondContact OG-CD1 3.32Å
437L87.7Confident87.1Confident49 Ų4946.9 Ų46.926%0.25724%0.236SC..Hα-helixtrans-52.5-44.7-178.3-179.867.1000113.8E435 L439 W440 Q441 I471 E474E435-L437 VanDerWaalsContact C-N 3.26Å; E435-L437 PolarHBondContact O-N 3.23Å; L437-L439 VanDerWaalsContact C-N 3.28Å; L437-L439 PolarHBondContact O-N 2.88Å; L437-W440 WeakPolarHBondContact O-CB 3.24Å; L437-W440 PolarHBondContact O-N 3.39Å; L437-Q441 PolarHBondContact O-N 2.92Å; L437-I471 HydrophobicContact CB-CG1 4.22Å; L437-I471 HydrophobicContact CD1-CB 4.46Å; L437-I471 HydrophobicContact CD1-CG1 3.96Å; L437-E474 HydrophobicContact CD1-CB 3.98Å; L437-E474 HydrophobicContact CD1-CG 4.2Å
438P88.6Confident86.9Confident55 Ų5550.4 Ų50.436%0.35725%0.254SS..Hα-helixtrans-62-34.4177.1-23.236.1000113.1V402 E435 S436 Q441 L442V402-P438 HydrophobicContact CG1-CB 4.21Å; V402-P438 HydrophobicContact CG1-CG 4.11Å; E435-P438 WeakPolarHBondContact O-CD 3.49Å; S436-P438 VanDerWaalsContact C-CD 3.49Å; P438-Q441 PolarHBondContact O-N 3.01Å; P438-L442 WeakPolarHBondContact O-CG 3.24Å; P438-L442 PolarHBondContact O-N 3.48Å
439L88.7Confident86.8Confident0 Ų051.8 Ų51.80%027%0.27CS..Hα-helixtrans-69.7-37.7177.4-60.5175.5000111.4V402 W405 S406 L409 A427 L428 V431 S436 L437 L442 Q443V402-L439 HydrophobicContact CG1-CG 4.17Å; W405-L439 HydrophobicContact CB-CD1 4.23Å; W405-L439 HydrophobicContact CB-CD2 3.69Å; S406-L439 WeakPolarHBondContact OG-CD2 3.46Å; L409-L439 HydrophobicContact CD1-CD2 4.03Å; A427-L439 HydrophobicContact CB-CD1 4.13Å; L428-L439 HydrophobicContact CD2-CB 4.03Å; V431-L439 HydrophobicContact CB-CD1 4.17Å; V431-L439 HydrophobicContact CG1-CD1 4.1Å; V431-L439 HydrophobicContact CG2-CD1 3.96Å; S436-L439 WeakPolarHBondContact O-CB 3.39Å; S436-L439 PolarHBondContact O-N 3.29Å; L437-L439 VanDerWaalsContact C-N 3.28Å; L437-L439 PolarHBondContact O-N 2.88Å; L439-L442 PolarHBondContact O-N 2.92Å; L439-Q443 WeakPolarHBondContact O-CB 3.48Å; L439-Q443 PolarHBondContact O-N 3.25Å
440W89Confident86.5Confident20 Ų2052.6 Ų52.68%0.07627%0.271CS..Hα-helixtrans-63.6-44.5172.7-83.296.9000112.1L428 S436 L437 L442 Q443 L444 I459 R462 G463 I471L428-W440 HydrophobicContact CD1-CD2 4.17Å; L428-W440 HydrophobicContact CD1-CH2 4.35Å; L428-W440 HydrophobicContact CD1-CZ2 3.82Å; L428-W440 HydrophobicContact CD2-CG 4.34Å; S436-W440 PolarHBondContact O-N 3.38Å; S436-W440 VanDerWaalsContact O-N 3.1Å; L437-W440 WeakPolarHBondContact O-CB 3.24Å; L437-W440 PolarHBondContact O-N 3.39Å; W440-L442 VanDerWaalsContact C-N 3.32Å; W440-L442 PolarHBondContact O-N 3.14Å; W440-Q443 PolarHBondContact O-N 3.41Å; W440-L444 WeakPolarHBondContact O-CB 3.4Å; W440-L444 VanDerWaalsContact O-CG 3.29Å; W440-L444 WeakPolarHBondContact O-CG 3.49Å; W440-L444 PolarHBondContact O-N 3.39Å; W440-I459 HydrophobicContact CZ3-CG2 4.31Å; W440-R462 HydrophobicContact CH2-CB 4.38Å; W440-R462 HydrophobicContact CH2-CG 4.05Å; W440-G463 VanDerWaalsContact CH2-CA 3.46Å; W440-G463 VanDerWaalsContact CZ3-CA 3.43Å; W440-I471 HydrophobicContact CB-CG2 4.31Å; W440-I471 HydrophobicContact CD2-CG2 3.94Å; W440-I471 HydrophobicContact CG-CG2 3.75Å
441Q88.1Confident86.4Confident64 Ų6450 Ų5030%0.29926%0.259SS..Hα-helixtrans-59.4-44.7175.5-71.7176.1-31.300111.2L437 P438 L444 Q445 E474L437-Q441 PolarHBondContact O-N 2.92Å; P438-Q441 PolarHBondContact O-N 3.01Å; Q441-L444 PolarHBondContact O-N 3.21Å; Q441-Q445 WeakPolarHBondContact O-CB 3.45Å; Q441-Q445 VanDerWaalsContact O-CG 3.23Å; Q441-Q445 WeakPolarHBondContact O-CG 3.42Å; Q441-Q445 PolarHBondContact O-N 3.35Å; Q441-E474 HydrophobicContact CG-CG 4.48Å; Q441-E474 PolarHBondContact NE2-OE1 3.35Å
442L87.7Confident86.2Confident21 Ų2152.4 Ų52.411%0.1128%0.277CS..Hα-helixtrans-64-42176.1-74.5174000112.6Q410 F424 P438 L439 W440 Q445 W446Q410-L442 HydrophobicContact CG-CD1 4.21Å; Q410-L442 HydrophobicContact CG-CD2 3.92Å; F424-L442 HydrophobicContact CE1-CB 3.96Å; F424-L442 HydrophobicContact CZ-CB 4.33Å; P438-L442 WeakPolarHBondContact O-CG 3.24Å; P438-L442 PolarHBondContact O-N 3.48Å; L439-L442 PolarHBondContact O-N 2.92Å; W440-L442 VanDerWaalsContact C-N 3.32Å; W440-L442 PolarHBondContact O-N 3.14Å; L442-Q445 PolarHBondContact O-N 3.25Å; L442-W446 WeakPolarHBondContact O-CB 3.5Å; L442-W446 PolarHBondContact O-N 3Å
443Q89.4Confident86.2Confident4 Ų451.2 Ų51.22%0.01928%0.276CS..Hα-helixtrans-63.1-43.4177.8-173.8174.235.800111.5F424 L439 W440 W446 S447 I459F424-Q443 HydrophobicContact CB-CB 4.4Å; F424-Q443 HydrophobicContact CB-CG 3.97Å; F424-Q443 VanDerWaalsContact CB-NE2 3.34Å; F424-Q443 HydrophobicContact CD1-CB 3.61Å; F424-Q443 HydrophobicContact CD1-CG 4.06Å; F424-Q443 HydrophobicContact CD2-CB 4.3Å; F424-Q443 HydrophobicContact CD2-CG 4Å; F424-Q443 HydrophobicContact CE1-CB 3.84Å; F424-Q443 HydrophobicContact CG-CB 3.87Å; F424-Q443 HydrophobicContact CG-CG 3.77Å; F424-Q443 HydrophobicContact CZ-CB 4.32Å; L439-Q443 WeakPolarHBondContact O-CB 3.48Å; L439-Q443 PolarHBondContact O-N 3.25Å; W440-Q443 PolarHBondContact O-N 3.41Å; Q443-W446 PolarHBondContact O-N 3.07Å; Q443-S447 VanDerWaalsContact O-CB 3.26Å; Q443-S447 WeakPolarHBondContact O-CB 2.93Å; Q443-S447 PolarHBondContact O-N 3.42Å; Q443-I459 HydrophobicContact CG-CD1 4.49Å; Q443-I459 HydrophobicContact CG-CG2 4.28Å
444L87.6Confident86.3Confident2 Ų255.9 Ų55.91%0.0129%0.293CS..Hα-helixtrans-65.5-45.5177.8-70.6172000111.3W440 Q441 W446 S447 M448 I459 F460 V475 L478W440-L444 WeakPolarHBondContact O-CB 3.4Å; W440-L444 VanDerWaalsContact O-CG 3.29Å; W440-L444 WeakPolarHBondContact O-CG 3.49Å; W440-L444 PolarHBondContact O-N 3.39Å; Q441-L444 PolarHBondContact O-N 3.21Å; L444-W446 VanDerWaalsContact C-N 3.29Å; L444-W446 PolarHBondContact O-N 2.9Å; L444-S447 PolarHBondContact O-N 2.91Å; L444-M448 HydrophobicContact CB-CE 4.49Å; L444-M448 WeakPolarHBondContact O-CB 3.25Å; L444-M448 WeakPolarHBondContact O-CE 3.22Å; L444-M448 VanDerWaalsContact O-CG 3.23Å; L444-M448 WeakPolarHBondContact O-CG 3.46Å; L444-M448 PolarHBondContact O-N 3.15Å; L444-I459 HydrophobicContact CD2-CG2 3.69Å; L444-F460 HydrophobicContact CD1-CE1 4.13Å; L444-F460 HydrophobicContact CD2-CD1 3.71Å; L444-F460 HydrophobicContact CD2-CD2 4.46Å; L444-F460 HydrophobicContact CD2-CE1 3.58Å; L444-F460 HydrophobicContact CD2-CE2 4.35Å; L444-F460 HydrophobicContact CD2-CG 4.16Å; L444-F460 HydrophobicContact CD2-CZ 3.93Å; L444-F460 HydrophobicContact CG-CE1 4.41Å; L444-V475 HydrophobicContact CD1-CG2 4.13Å; L444-L478 HydrophobicContact CD1-CD1 3.83Å
445Q87.9Confident86.3Confident100 Ų10052.4 Ų52.447%0.46728%0.279SS..Hα-helixtrans-62.5-35.6176.9-74.4174.71.100113.1R413 Q441 L442 M448R413-Q445 PolarHBondContact NH2-O 3.17Å; Q441-Q445 WeakPolarHBondContact O-CB 3.45Å; Q441-Q445 VanDerWaalsContact O-CG 3.23Å; Q441-Q445 WeakPolarHBondContact O-CG 3.42Å; Q441-Q445 PolarHBondContact O-N 3.35Å; L442-Q445 PolarHBondContact O-N 3.25Å; Q445-M448 HydrophobicContact CG-CE 4.47Å
446W88.5Confident86.4Confident26 Ų2647.1 Ų47.110%0.09825%0.254CS..Hα-helixtrans-68.4-51.4173169.171.8000110.9M420 A421 F424 L442 Q443 L444 M448 A449 D450 Q451M420-W446 HydrophobicContact CB-CD2 4.22Å; M420-W446 HydrophobicContact CB-CH2 4.02Å; M420-W446 HydrophobicContact CB-CZ2 3.46Å; M420-W446 VanDerWaalsContact CB-CZ2 3.46Å; M420-W446 HydrophobicContact CG-CZ2 4.37Å; A421-W446 HydrophobicContact CB-CH2 3.97Å; A421-W446 HydrophobicContact CB-CZ3 4.37Å; F424-W446 HydrophobicContact CD2-CD2 4.28Å; F424-W446 AromaticContact CD2-CE3 3.86Å; F424-W446 HydrophobicContact CD2-CE3 3.86Å; F424-W446 HydrophobicContact CD2-CZ3 4.31Å; F424-W446 HydrophobicContact CE2-CB 3.91Å; F424-W446 AromaticContact CE2-CD2 3.76Å; F424-W446 HydrophobicContact CE2-CD2 3.76Å; F424-W446 AromaticContact CE2-CE3 3.74Å; F424-W446 HydrophobicContact CE2-CE3 3.74Å; F424-W446 AromaticContact CE2-CG 3.82Å; F424-W446 HydrophobicContact CE2-CG 3.82Å; F424-W446 HydrophobicContact CZ-CB 4.13Å; F424-W446 HydrophobicContact CZ-CG 4.47Å; L442-W446 WeakPolarHBondContact O-CB 3.5Å; L442-W446 PolarHBondContact O-N 3Å; Q443-W446 PolarHBondContact O-N 3.07Å; L444-W446 VanDerWaalsContact C-N 3.29Å; L444-W446 PolarHBondContact O-N 2.9Å; W446-M448 PolarHBondContact O-N 2.94Å; W446-A449 PolarHBondContact O-N 3.16Å; W446-A449 VanDerWaalsContact O-N 3.07Å; W446-D450 WeakPolarHBondContact O-CB 3.39Å; W446-D450 PolarHBondContact O-N 2.84Å; W446-Q451 HydrophobicContact CH2-CG 3.67Å; W446-Q451 HydrophobicContact CZ2-CG 4.02Å; W446-Q451 HydrophobicContact CZ3-CG 3.95Å
447S86.2Confident86.3Confident0 Ų049 Ų490%026%0.263CS..Hα-helixtrans-58.6-45.2-178.5-174.60000112.6Q443 L444 A449 D450 Q451 T456 I459Q443-S447 VanDerWaalsContact O-CB 3.26Å; Q443-S447 WeakPolarHBondContact O-CB 2.93Å; Q443-S447 PolarHBondContact O-N 3.42Å; L444-S447 PolarHBondContact O-N 2.91Å; S447-A449 PolarHBondContact O-N 3.21Å; S447-D450 PolarHBondContact O-N 3.11Å; S447-Q451 VanDerWaalsContact CB-OE1 3.31Å; S447-Q451 WeakPolarHBondContact O-CB 3.47Å; S447-Q451 PolarHBondContact O-N 3.34Å; S447-Q451 PolarHBondContact OG-OE1 3.45Å; S447-T456 PolarHBondContact O-OG1 3.49Å; S447-T456 VanDerWaalsContact OG-CA 3.25Å; S447-T456 WeakPolarHBondContact OG-CA 3.4Å; S447-T456 WeakPolarHBondContact OG-CB 3.5Å; S447-T456 PolarHBondContact OG-OG1 3.21Å; S447-I459 VanDerWaalsContact OG-CD1 3.32Å; S447-I459 WeakPolarHBondContact OG-CD1 3.4Å
448M84.8Confident86.3Confident75 Ų7549.4 Ų49.437%0.36927%0.273SS..Hα-helixtrans-62.9-25.6177.9-70.4-173.2-66.300114.1L444 Q445 W446 T456 F460 W482L444-M448 HydrophobicContact CB-CE 4.49Å; L444-M448 WeakPolarHBondContact O-CB 3.25Å; L444-M448 WeakPolarHBondContact O-CE 3.22Å; L444-M448 VanDerWaalsContact O-CG 3.23Å; L444-M448 WeakPolarHBondContact O-CG 3.46Å; L444-M448 PolarHBondContact O-N 3.15Å; Q445-M448 HydrophobicContact CG-CE 4.47Å; W446-M448 PolarHBondContact O-N 2.94Å; M448-T456 HydrophobicContact CG-CG2 3.94Å; M448-F460 HydrophobicContact CG-CE2 4.42Å; M448-F460 HydrophobicContact CG-CZ 4.43Å; M448-F460 HydrophobicContact SD-CZ 4.09Å; M448-W482 HydrophobicContact CG-CG 4.35Å; M448-W482 HydrophobicContact SD-CB 4.11Å; M448-W482 HydrophobicContact SD-CG 4.14Å
449A84.6Confident86.3Confident64 Ų6447.2 Ų47.253%0.52926%0.258SS..Hα-helixtrans-92.8-38.6-179.100000112.5R413 W446 S447R413-A449 VanDerWaalsContact NH2-CB 3.27Å; W446-A449 PolarHBondContact O-N 3.16Å; W446-A449 VanDerWaalsContact O-N 3.07Å; S447-A449 PolarHBondContact O-N 3.21Å
450D79.9Confident86.2Confident97 Ų9747.2 Ų47.252%0.51926%0.258SS..Hα-helixtrans-118.6-12.5-160.2-58.1-47.5000113.3R413 W446 S447R413-D450 IonicContact CZ-OD2 2.84Å; R413-D450 IonicContact NE-OD2 3.31Å; R413-D450 PolarHBondContact NE-OD2 3.14Å; R413-D450 IonicContact NH2-OD2 2.77Å; R413-D450 PolarHBondContact NH2-OD2 3.12Å; W446-D450 WeakPolarHBondContact O-CB 3.39Å; W446-D450 PolarHBondContact O-N 2.84Å; S447-D450 PolarHBondContact O-N 3.11Å
451Q82.3Confident86.2Confident43 Ų4351.5 Ų51.520%0.20128%0.278CS..SBendtrans-110.8166.9-178.7-66.1-167.5-56.400113.9W446 S447 E455W446-Q451 HydrophobicContact CH2-CG 3.67Å; W446-Q451 HydrophobicContact CZ2-CG 4.02Å; W446-Q451 HydrophobicContact CZ3-CG 3.95Å; S447-Q451 VanDerWaalsContact CB-OE1 3.31Å; S447-Q451 WeakPolarHBondContact O-CB 3.47Å; S447-Q451 PolarHBondContact O-N 3.34Å; S447-Q451 PolarHBondContact OG-OE1 3.45Å; Q451-E455 HydrophobicContact CB-CB 4.22Å
452S84.1Confident86.1Confident55 Ų5553.2 Ų53.239%0.38528%0.281SS..  trans-68.2158.3172.969.10000112E454 E455 T456S452-E454 PolarHBondContact O-N 3.14Å; S452-E455 WeakPolarHBondContact CB-OE2 3.36Å; S452-E455 PolarHBondContact N-OE2 2.93Å; S452-E455 PolarHBondContact O-N 3.38Å; S452-E455 VanDerWaalsContact OG-CG 3.26Å; S452-E455 WeakPolarHBondContact OG-CG 3.46Å; S452-E455 PolarHBondContact OG-N 3.2Å; S452-E455 PolarHBondContact OG-OE2 2.98Å; S452-T456 WeakPolarHBondContact O-CB 3.46Å; S452-T456 PolarHBondContact O-N 3.35Å; S452-T456 PolarHBondContact O-OG1 3.39Å
453A83.8Confident86.1Confident47 Ų4752.2 Ų52.239%0.38828%0.276SS..Hα-helixtrans-61.9-30.918000000113.1E457 W482A453-E457 WeakPolarHBondContact O-CB 3.47Å; A453-E457 PolarHBondContact O-N 2.91Å; A453-W482 HydrophobicContact CB-CH2 4.35Å; A453-W482 HydrophobicContact CB-CZ2 4.09Å; A453-W482 WeakPolarHBondContact O-CH2 3.47Å
454E84.9Confident85.9Confident164 Ų16454 Ų5477%0.76629%0.285SS*.Hα-helixtrans-72-44178.9-64.9-177.7177.800111.9S452 T456 E457 A458S452-E454 PolarHBondContact O-N 3.14Å; E454-T456 VanDerWaalsContact C-N 3.34Å; E454-E457 PolarHBondContact O-N 3.19Å; E454-A458 PolarHBondContact O-N 2.91Å
455E84.6Confident85.8Confident97 Ų9761.2 Ų61.245%0.45332%0.323SS..Hα-helixtrans-65.1-40.6176.4-68.5166.1140.300111.4Q451 S452 A458 I459Q451-E455 HydrophobicContact CB-CB 4.22Å; S452-E455 WeakPolarHBondContact CB-OE2 3.36Å; S452-E455 PolarHBondContact N-OE2 2.93Å; S452-E455 PolarHBondContact O-N 3.38Å; S452-E455 VanDerWaalsContact OG-CG 3.26Å; S452-E455 WeakPolarHBondContact OG-CG 3.46Å; S452-E455 PolarHBondContact OG-N 3.2Å; S452-E455 PolarHBondContact OG-OE2 2.98Å; E455-A458 WeakPolarHBondContact O-CB 3.32Å; E455-A458 PolarHBondContact O-N 2.58Å; E455-I459 PolarHBondContact O-N 2.9Å; E455-I459 VanDerWaalsContact O-N 3.13Å
456T86.2Confident85.7Confident2 Ų257.9 Ų57.91%0.01231%0.311CS..Hα-helixtrans-61.8-45.1175.5-520000111.1S447 M448 S452 E454 A458 I459 F460 W482S447-T456 PolarHBondContact O-OG1 3.49Å; S447-T456 VanDerWaalsContact OG-CA 3.25Å; S447-T456 WeakPolarHBondContact OG-CA 3.4Å; S447-T456 WeakPolarHBondContact OG-CB 3.5Å; S447-T456 PolarHBondContact OG-OG1 3.21Å; M448-T456 HydrophobicContact CG-CG2 3.94Å; S452-T456 WeakPolarHBondContact O-CB 3.46Å; S452-T456 PolarHBondContact O-N 3.35Å; S452-T456 PolarHBondContact O-OG1 3.39Å; E454-T456 VanDerWaalsContact C-N 3.34Å; T456-A458 VanDerWaalsContact C-N 3.3Å; T456-A458 PolarHBondContact O-N 3.49Å; T456-I459 PolarHBondContact O-N 2.92Å; T456-F460 HydrophobicContact CG2-CD2 3.95Å; T456-F460 HydrophobicContact CG2-CE2 3.64Å; T456-F460 VanDerWaalsContact O-CD2 3.25Å; T456-F460 WeakPolarHBondContact O-CD2 3.22Å; T456-F460 PolarHBondContact O-N 2.74Å; T456-W482 HydrophobicContact CG2-CD2 4.4Å; T456-W482 HydrophobicContact CG2-CZ2 3.86Å
457E87.1Confident85.3Confident45 Ų4561.8 Ų61.821%0.2134%0.342CS..Hα-helixtrans-63.3-35.7177.2-167.7173.7140.700112.2A453 E454 I459 F460 K461 Y479 W482 K491A453-E457 WeakPolarHBondContact O-CB 3.47Å; A453-E457 PolarHBondContact O-N 2.91Å; E454-E457 PolarHBondContact O-N 3.19Å; E457-I459 VanDerWaalsContact C-N 3.34Å; E457-I459 PolarHBondContact O-N 3.33Å; E457-F460 PolarHBondContact O-N 3.15Å; E457-K461 WeakPolarHBondContact O-CG 3.46Å; E457-K461 PolarHBondContact O-N 3.4Å; E457-K461 VanDerWaalsContact OE1-CE 3.26Å; E457-K461 WeakPolarHBondContact OE1-CE 3.49Å; E457-K461 IonicContact OE1-NZ 3.27Å; E457-K461 PolarHBondContact OE1-NZ 3.48Å; E457-Y479 HydrophobicContact CG-CE2 4.07Å; E457-Y479 WeakPolarHBondContact CG-OH 3.45Å; E457-W482 HydrophobicContact CB-CH2 4.02Å; E457-W482 HydrophobicContact CB-CZ3 4.22Å; E457-W482 HydrophobicContact CG-CZ3 4.44Å; E457-K491 IonicContact OE2-NZ 3.95Å
458A88.3Confident85.2Confident56 Ų5662.5 Ų62.546%0.46335%0.347SS..Hα-helixtrans-64.1-37.9174.700000112.3E454 E455 T456 K461 R462E454-A458 PolarHBondContact O-N 2.91Å; E455-A458 WeakPolarHBondContact O-CB 3.32Å; E455-A458 PolarHBondContact O-N 2.58Å; T456-A458 VanDerWaalsContact C-N 3.3Å; T456-A458 PolarHBondContact O-N 3.49Å; A458-K461 PolarHBondContact O-N 3.08Å; A458-R462 PolarHBondContact O-N 2.83Å
459I87.9Confident85.3Confident10 Ų1062.7 Ų62.75%0.05135%0.353CS..Hα-helixtrans-66.9-43.4175.7-67.8167.3000110.8W440 Q443 L444 S447 E455 T456 E457 K461 R462 G463W440-I459 HydrophobicContact CZ3-CG2 4.31Å; Q443-I459 HydrophobicContact CG-CD1 4.49Å; Q443-I459 HydrophobicContact CG-CG2 4.28Å; L444-I459 HydrophobicContact CD2-CG2 3.69Å; S447-I459 VanDerWaalsContact OG-CD1 3.32Å; S447-I459 WeakPolarHBondContact OG-CD1 3.4Å; E455-I459 PolarHBondContact O-N 2.9Å; E455-I459 VanDerWaalsContact O-N 3.13Å; T456-I459 PolarHBondContact O-N 2.92Å; E457-I459 VanDerWaalsContact C-N 3.34Å; E457-I459 PolarHBondContact O-N 3.33Å; I459-K461 PolarHBondContact O-N 3.11Å; I459-R462 PolarHBondContact O-N 3.44Å; I459-G463 PolarHBondContact O-N 3.49Å
460F88.1Confident85.3Confident0 Ų061.8 Ų61.80%035%0.346CS..Hα-helixtrans-58.7-47.5174-80.5-66.3000111.8L444 M448 T456 E457 R462 G463 L464 V475 L478 Y479 W482L444-F460 HydrophobicContact CD1-CE1 4.13Å; L444-F460 HydrophobicContact CD2-CD1 3.71Å; L444-F460 HydrophobicContact CD2-CD2 4.46Å; L444-F460 HydrophobicContact CD2-CE1 3.58Å; L444-F460 HydrophobicContact CD2-CE2 4.35Å; L444-F460 HydrophobicContact CD2-CG 4.16Å; L444-F460 HydrophobicContact CD2-CZ 3.93Å; L444-F460 HydrophobicContact CG-CE1 4.41Å; M448-F460 HydrophobicContact CG-CE2 4.42Å; M448-F460 HydrophobicContact CG-CZ 4.43Å; M448-F460 HydrophobicContact SD-CZ 4.09Å; T456-F460 HydrophobicContact CG2-CD2 3.95Å; T456-F460 HydrophobicContact CG2-CE2 3.64Å; T456-F460 VanDerWaalsContact O-CD2 3.25Å; T456-F460 WeakPolarHBondContact O-CD2 3.22Å; T456-F460 PolarHBondContact O-N 2.74Å; E457-F460 PolarHBondContact O-N 3.15Å; F460-R462 VanDerWaalsContact C-N 3.28Å; F460-R462 PolarHBondContact O-N 2.98Å; F460-G463 PolarHBondContact O-N 3.26Å; F460-G463 VanDerWaalsContact O-N 3.17Å; F460-L464 WeakPolarHBondContact O-CG 3.46Å; F460-L464 PolarHBondContact O-N 3.1Å; F460-V475 HydrophobicContact CD1-CG1 3.86Å; F460-V475 WeakPolarHBondContact O-CG1 3.48Å; F460-L478 HydrophobicContact CE1-CB 3.9Å; F460-L478 HydrophobicContact CZ-CB 4.45Å; F460-Y479 HydrophobicContact CB-CD1 4.26Å; F460-Y479 HydrophobicContact CB-CD2 3.59Å; F460-Y479 HydrophobicContact CB-CE2 3.96Å; F460-Y479 HydrophobicContact CB-CG 3.8Å; F460-Y479 VanDerWaalsContact CD1-CB 3.44Å; F460-Y479 AromaticContact CD1-CD2 3.91Å; F460-Y479 HydrophobicContact CD1-CD2 3.91Å; F460-Y479 AromaticContact CD1-CG 3.88Å; F460-Y479 HydrophobicContact CD1-CG 3.88Å; F460-Y479 AromaticContact CD2-CD2 3.57Å; F460-Y479 HydrophobicContact CD2-CD2 3.57Å; F460-Y479 HydrophobicContact CD2-CE2 4.14Å; F460-Y479 HydrophobicContact CD2-CG 4.36Å; F460-Y479 HydrophobicContact CE1-CD2 4.46Å; F460-Y479 HydrophobicContact CE2-CD2 4.16Å; F460-Y479 AromaticContact CG-CD2 3.42Å; F460-Y479 HydrophobicContact CG-CD2 3.42Å; F460-Y479 VanDerWaalsContact CG-CD2 3.42Å; F460-Y479 HydrophobicContact CG-CE2 4.16Å; F460-Y479 AromaticContact CG-CG 3.78Å; F460-Y479 HydrophobicContact CG-CG 3.78Å; F460-W482 HydrophobicContact CD2-CD2 4.28Å; F460-W482 HydrophobicContact CD2-CE3 4.14Å; F460-W482 HydrophobicContact CE2-CB 3.86Å; F460-W482 AromaticContact CE2-CD2 3.67Å; F460-W482 HydrophobicContact CE2-CD2 3.67Å; F460-W482 AromaticContact CE2-CE3 3.95Å; F460-W482 HydrophobicContact CE2-CE3 3.95Å; F460-W482 AromaticContact CE2-CG 3.63Å; F460-W482 HydrophobicContact CE2-CG 3.63Å; F460-W482 HydrophobicContact CZ-CB 3.81Å; F460-W482 HydrophobicContact CZ-CG 4.07Å
461K87.3Confident85.6Confident110 Ų11057.2 Ų57.248%0.47832%0.321SS..Hα-helixtrans-59.1-38.9176.6-74.3173.8-176.1161.90112.3E457 A458 I459E457-K461 WeakPolarHBondContact O-CG 3.46Å; E457-K461 PolarHBondContact O-N 3.4Å; E457-K461 VanDerWaalsContact OE1-CE 3.26Å; E457-K461 WeakPolarHBondContact OE1-CE 3.49Å; E457-K461 IonicContact OE1-NZ 3.27Å; E457-K461 PolarHBondContact OE1-NZ 3.48Å; A458-K461 PolarHBondContact O-N 3.08Å; I459-K461 PolarHBondContact O-N 3.11Å
462R88Confident85.8Confident100 Ų10055.5 Ų55.538%0.37732%0.315SS..Hα-helixtrans-66.3-44.1175.2-171.9-177.361-126.20.6112W440 A458 I459 F460 L464 L465W440-R462 HydrophobicContact CH2-CB 4.38Å; W440-R462 HydrophobicContact CH2-CG 4.05Å; A458-R462 PolarHBondContact O-N 2.83Å; I459-R462 PolarHBondContact O-N 3.44Å; F460-R462 VanDerWaalsContact C-N 3.28Å; F460-R462 PolarHBondContact O-N 2.98Å; R462-L464 VanDerWaalsContact C-N 3.28Å; R462-L464 PolarHBondContact O-N 3.22Å; R462-L465 PolarHBondContact O-N 2.96Å; R462-L465 VanDerWaalsContact O-N 3.13Å
463G85.8Confident86Confident0 Ų055.7 Ų55.70%031%0.31CS..Hα-helixtrans-63.1-33.3179.500000113.2W440 I459 F460 L465 S466W440-G463 VanDerWaalsContact CH2-CA 3.46Å; W440-G463 VanDerWaalsContact CZ3-CA 3.43Å; I459-G463 PolarHBondContact O-N 3.49Å; F460-G463 PolarHBondContact O-N 3.26Å; F460-G463 VanDerWaalsContact O-N 3.17Å; G463-L465 VanDerWaalsContact C-N 3.27Å; G463-L465 PolarHBondContact O-N 3.37Å; G463-S466 WeakPolarHBondContact O-CB 3.4Å; G463-S466 PolarHBondContact O-N 3.43Å; G463-S466 VanDerWaalsContact O-N 3.16Å
464L86.1Confident86.1Confident41 Ų4155.7 Ų55.722%0.21530%0.302CS..Hα-helixtrans-65.5-27.4174.5-70.7170.6000113.5F460 R462 S466 V475 K476 Y479 L499F460-L464 WeakPolarHBondContact O-CG 3.46Å; F460-L464 PolarHBondContact O-N 3.1Å; R462-L464 VanDerWaalsContact C-N 3.28Å; R462-L464 PolarHBondContact O-N 3.22Å; L464-S466 VanDerWaalsContact C-N 3.27Å; L464-V475 HydrophobicContact CD2-CG1 4.3Å; L464-V475 HydrophobicContact CG-CG1 4.1Å; L464-K476 HydrophobicContact CD2-CB 3.77Å; L464-K476 HydrophobicContact CD2-CG 4.32Å; L464-Y479 HydrophobicContact CD1-CD1 4.05Å; L464-Y479 HydrophobicContact CD1-CE1 4.31Å; L464-L499 HydrophobicContact CD1-CD1 4.32Å; L464-L499 HydrophobicContact CD1-CD2 3.56Å; L464-L499 HydrophobicContact CD2-CD2 4.4Å
465L85.7Confident86.2Confident154 Ų15448 Ų4881%0.80627%0.266SS*.THydrogen-bonded Turntrans-86.23.5176.9-62.3174.9000112.8R462 G463R462-L465 PolarHBondContact O-N 2.96Å; R462-L465 VanDerWaalsContact O-N 3.13Å; G463-L465 VanDerWaalsContact C-N 3.27Å; G463-L465 PolarHBondContact O-N 3.37Å
466S84.6Confident86.4Confident29 Ų2943.5 Ų43.520%0.20325%0.245CC..  trans-62137.6179.6-175.90000111.3G463 L464 V468G463-S466 WeakPolarHBondContact O-CB 3.4Å; G463-S466 PolarHBondContact O-N 3.43Å; G463-S466 VanDerWaalsContact O-N 3.16Å; L464-S466 VanDerWaalsContact C-N 3.27Å; S466-V468 PolarHBondContact O-N 3.14Å; S466-V468 PolarHBondContact OG-N 3.33Å
467S80.3Confident86.6Confident108 Ų10844.1 Ų44.176%0.75525%0.248SC*.SBendtrans-70.4-9.7176.258.30000113.4P469S467-P469 WeakPolarHBondContact O-CD 3.34Å
468V85.6Confident86.6Confident16 Ų1643.9 Ų43.910%0.09725%0.248CC..  trans-97.9114-177.5-1780000109.5P433 S466 A470 I471 A472P433-V468 HydrophobicContact CB-CG2 3.64Å; P433-V468 WeakPolarHBondContact O-CG2 3.35Å; S466-V468 PolarHBondContact O-N 3.14Å; S466-V468 PolarHBondContact OG-N 3.33Å; V468-A470 VanDerWaalsContact C-N 3.31Å; V468-A470 HydrophobicContact CG1-CB 4.43Å; V468-A470 PolarHBondContact O-N 3.4Å; V468-I471 HydrophobicContact CB-CB 4.31Å; V468-I471 HydrophobicContact CB-CD1 3.72Å; V468-I471 HydrophobicContact CB-CG1 3.97Å; V468-I471 HydrophobicContact CG1-CD1 3.93Å; V468-I471 HydrophobicContact CG1-CG1 3.89Å; V468-I471 HydrophobicContact CG2-CD1 4.11Å; V468-I471 PolarHBondContact O-N 2.54Å; V468-I471 VanDerWaalsContact O-N 3.08Å; V468-A472 PolarHBondContact O-N 3.33Å
469P85.4Confident86.6Confident78 Ų7841.8 Ų41.851%0.50623%0.228SC..Hα-helixtrans-57.8-39.3-174.2-28.536.1000114S467 I471 A472 M473 P504S467-P469 WeakPolarHBondContact O-CD 3.34Å; P469-I471 VanDerWaalsContact C-N 3.28Å; P469-I471 PolarHBondContact O-N 3.02Å; P469-A472 PolarHBondContact O-N 3.25Å; P469-M473 WeakPolarHBondContact O-CG 3.45Å; P469-M473 PolarHBondContact O-N 3.46Å; P469-P504 HydrophobicContact CB-CB 4.48Å; P469-P504 HydrophobicContact CB-CG 4.02Å; P469-P504 WeakPolarHBondContact O-CG 3.47Å
470A86.1Confident86.7Confident46 Ų4641.3 Ų41.338%0.3823%0.226SC..Hα-helixtrans-59.9-38.2179.100000112.7V468 E474V468-A470 VanDerWaalsContact C-N 3.31Å; V468-A470 HydrophobicContact CG1-CB 4.43Å; V468-A470 PolarHBondContact O-N 3.4Å; A470-E474 WeakPolarHBondContact O-CB 3.46Å; A470-E474 PolarHBondContact O-N 3.15Å; A470-E474 VanDerWaalsContact O-N 3.11Å
471I85.9Confident86.8Confident0 Ų044.1 Ų44.10%024%0.241CC..Hα-helixtrans-71-47.6178.7-59.5175.6000109.7S436 L437 W440 V468 P469 M473 E474 V475S436-I471 WeakPolarHBondContact OG-CD1 3.32Å; L437-I471 HydrophobicContact CB-CG1 4.22Å; L437-I471 HydrophobicContact CD1-CB 4.46Å; L437-I471 HydrophobicContact CD1-CG1 3.96Å; W440-I471 HydrophobicContact CB-CG2 4.31Å; W440-I471 HydrophobicContact CD2-CG2 3.94Å; W440-I471 HydrophobicContact CG-CG2 3.75Å; V468-I471 HydrophobicContact CB-CB 4.31Å; V468-I471 HydrophobicContact CB-CD1 3.72Å; V468-I471 HydrophobicContact CB-CG1 3.97Å; V468-I471 HydrophobicContact CG1-CD1 3.93Å; V468-I471 HydrophobicContact CG1-CG1 3.89Å; V468-I471 HydrophobicContact CG2-CD1 4.11Å; V468-I471 PolarHBondContact O-N 2.54Å; V468-I471 VanDerWaalsContact O-N 3.08Å; P469-I471 VanDerWaalsContact C-N 3.28Å; P469-I471 PolarHBondContact O-N 3.02Å; I471-M473 VanDerWaalsContact C-N 3.3Å; I471-M473 PolarHBondContact O-N 2.97Å; I471-E474 PolarHBondContact O-N 3.33Å; I471-V475 HydrophobicContact CG2-CG2 3.88Å; I471-V475 VanDerWaalsContact O-CB 3.29Å; I471-V475 WeakPolarHBondContact O-CB 3.45Å; I471-V475 WeakPolarHBondContact O-CG2 3.47Å; I471-V475 PolarHBondContact O-N 2.92Å
472A86.9Confident86.9Confident7 Ų739.6 Ų39.66%0.05822%0.221CC..Hα-helixtrans-60.1-39.4178.700000112.3V468 P469 K476 P504V468-A472 PolarHBondContact O-N 3.33Å; P469-A472 PolarHBondContact O-N 3.25Å; A472-K476 WeakPolarHBondContact O-CB 3.37Å; A472-K476 PolarHBondContact O-N 3.49Å; A472-K476 VanDerWaalsContact O-N 3.09Å; A472-P504 HydrophobicContact CB-CG 4.12Å
473M86.8Confident87Confident59 Ų5934.8 Ų34.829%0.29120%0.203SC..Hα-helixtrans-63.4-51.8174.8-70.4-174.2-68.200111.9P469 I471 K476 E477 P504P469-M473 WeakPolarHBondContact O-CG 3.45Å; P469-M473 PolarHBondContact O-N 3.46Å; I471-M473 VanDerWaalsContact C-N 3.3Å; I471-M473 PolarHBondContact O-N 2.97Å; M473-K476 WeakPolarHBondContact O-CB 3.32Å; M473-K476 PolarHBondContact O-N 3.15Å; M473-E477 WeakPolarHBondContact O-CG 3.44Å; M473-E477 PolarHBondContact O-N 3.16Å; M473-E477 VanDerWaalsContact O-N 3.09Å; M473-P504 HydrophobicContact CG-CB 3.65Å; M473-P504 HydrophobicContact CG-CG 3.43Å; M473-P504 VanDerWaalsContact CG-CG 3.43Å; M473-P504 HydrophobicContact SD-CB 3.95Å; M473-P504 HydrophobicContact SD-CG 4.29Å
474E86.2Confident87.1Confident47 Ų4738 Ų3822%0.2222%0.215CC..Hα-helixtrans-63.4-45.1-178.2-172.172.8-174.500111.7L437 Q441 A470 I471 K476 E477 L478L437-E474 HydrophobicContact CD1-CB 3.98Å; L437-E474 HydrophobicContact CD1-CG 4.2Å; Q441-E474 HydrophobicContact CG-CG 4.48Å; Q441-E474 PolarHBondContact NE2-OE1 3.35Å; A470-E474 WeakPolarHBondContact O-CB 3.46Å; A470-E474 PolarHBondContact O-N 3.15Å; A470-E474 VanDerWaalsContact O-N 3.11Å; I471-E474 PolarHBondContact O-N 3.33Å; E474-K476 PolarHBondContact O-N 3.49Å; E474-E477 PolarHBondContact O-N 3.4Å; E474-L478 HydrophobicContact CG-CD1 4.11Å; E474-L478 WeakPolarHBondContact O-CG 3.44Å; E474-L478 PolarHBondContact O-N 3.48Å
475V88.3Confident87.2Confident2 Ų240.4 Ų40.41%0.01224%0.236CC..Hα-helixtrans-59.2-40177.1173.70000110.3L444 F460 L464 I471 Y479L444-V475 HydrophobicContact CD1-CG2 4.13Å; F460-V475 HydrophobicContact CD1-CG1 3.86Å; F460-V475 WeakPolarHBondContact O-CG1 3.48Å; L464-V475 HydrophobicContact CD2-CG1 4.3Å; L464-V475 HydrophobicContact CG-CG1 4.1Å; I471-V475 HydrophobicContact CG2-CG2 3.88Å; I471-V475 VanDerWaalsContact O-CB 3.29Å; I471-V475 WeakPolarHBondContact O-CB 3.45Å; I471-V475 WeakPolarHBondContact O-CG2 3.47Å; I471-V475 PolarHBondContact O-N 2.92Å; V475-Y479 WeakPolarHBondContact O-CB 3.49Å; V475-Y479 PolarHBondContact O-N 3.4Å
476K88.3Confident87.2Confident3 Ų336.8 Ų36.81%0.01322%0.219CC..Hα-helixtrans-66.4-41180-177.6177.4178.9170.10112.6L464 A472 M473 E474 L480 L499 N502 F509L464-K476 HydrophobicContact CD2-CB 3.77Å; L464-K476 HydrophobicContact CD2-CG 4.32Å; A472-K476 WeakPolarHBondContact O-CB 3.37Å; A472-K476 PolarHBondContact O-N 3.49Å; A472-K476 VanDerWaalsContact O-N 3.09Å; M473-K476 WeakPolarHBondContact O-CB 3.32Å; M473-K476 PolarHBondContact O-N 3.15Å; E474-K476 PolarHBondContact O-N 3.49Å; K476-L480 PolarHBondContact O-N 2.88Å; K476-L499 WeakPolarHBondContact CE-O 3.47Å; K476-L499 HydrophobicContact CG-CB 4.4Å; K476-L499 HydrophobicContact CG-CD1 4.26Å; K476-L499 PolarHBondContact NZ-O 2.87Å; K476-N502 PolarHBondContact NZ-O 3.41Å; K476-F509 HydrophobicContact CD-CD2 4.33Å; K476-F509 HydrophobicContact CD-CE2 4.39Å; K476-F509 HydrophobicContact CD-CG 4.39Å; K476-F509 VanDerWaalsContact CE-CE1 3.49Å; K476-F509 HydrophobicContact CG-CD2 3.64Å; K476-F509 HydrophobicContact CG-CE2 3.67Å; K476-F509 HydrophobicContact CG-CG 4.16Å; K476-F509 HydrophobicContact CG-CZ 4.24Å
477E89.3Confident87Confident15 Ų1537 Ų377%0.0723%0.227CC..Hα-helixtrans-61.8-54.1173.4-69.1175.5-165.600111M473 E474 Y479 L480 D481 S506 K508 F509M473-E477 WeakPolarHBondContact O-CG 3.44Å; M473-E477 PolarHBondContact O-N 3.16Å; M473-E477 VanDerWaalsContact O-N 3.09Å; E474-E477 PolarHBondContact O-N 3.4Å; E477-Y479 VanDerWaalsContact C-N 3.26Å; E477-Y479 PolarHBondContact O-N 3.03Å; E477-L480 WeakPolarHBondContact O-CB 3.39Å; E477-L480 PolarHBondContact O-N 3.27Å; E477-D481 PolarHBondContact O-N 3.5Å; E477-S506 WeakPolarHBondContact CG-OG 3.31Å; E477-S506 WeakPolarHBondContact OE1-CB 3.22Å; E477-S506 PolarHBondContact OE1-OG 2.72Å; E477-K508 HydrophobicContact CG-CB 4.38Å; E477-K508 HydrophobicContact CG-CG 4.32Å; E477-K508 WeakPolarHBondContact OE1-CB 3.23Å; E477-K508 WeakPolarHBondContact OE2-CD 3.42Å; E477-K508 VanDerWaalsContact OE2-CE 3.3Å; E477-K508 WeakPolarHBondContact OE2-CE 3.37Å; E477-K508 WeakPolarHBondContact OE2-CG 3.36Å; E477-K508 IonicContact OE2-NZ 3.36Å; E477-K508 PolarHBondContact OE2-NZ 3.31Å; E477-F509 HydrophobicContact CG-CB 4.04Å
478L87.9Confident87.4Confident40 Ų4033.3 Ų33.321%0.20921%0.205CC..Hα-helixtrans-63.1-32.9-178.8-68175.1000112.5L444 F460 E474 D481 W482L444-L478 HydrophobicContact CD1-CD1 3.83Å; F460-L478 HydrophobicContact CE1-CB 3.9Å; F460-L478 HydrophobicContact CZ-CB 4.45Å; E474-L478 HydrophobicContact CG-CD1 4.11Å; E474-L478 WeakPolarHBondContact O-CG 3.44Å; E474-L478 PolarHBondContact O-N 3.48Å; L478-D481 PolarHBondContact O-N 3.2Å; L478-W482 VanDerWaalsContact O-CB 3.28Å; L478-W482 WeakPolarHBondContact O-CB 3.09Å; L478-W482 PolarHBondContact O-N 3.22Å
479Y89.2Confident87.5Confident13 Ų1334.4 Ų34.45%0.05121%0.208CC..Hα-helixtrans-68.3-36.6178.8-173.3-150.1000112E457 F460 L464 V475 E477 W482 S483 T495 L499E457-Y479 HydrophobicContact CG-CE2 4.07Å; E457-Y479 WeakPolarHBondContact CG-OH 3.45Å; F460-Y479 HydrophobicContact CB-CD1 4.26Å; F460-Y479 HydrophobicContact CB-CD2 3.59Å; F460-Y479 HydrophobicContact CB-CE2 3.96Å; F460-Y479 HydrophobicContact CB-CG 3.8Å; F460-Y479 VanDerWaalsContact CD1-CB 3.44Å; F460-Y479 AromaticContact CD1-CD2 3.91Å; F460-Y479 HydrophobicContact CD1-CD2 3.91Å; F460-Y479 AromaticContact CD1-CG 3.88Å; F460-Y479 HydrophobicContact CD1-CG 3.88Å; F460-Y479 AromaticContact CD2-CD2 3.57Å; F460-Y479 HydrophobicContact CD2-CD2 3.57Å; F460-Y479 HydrophobicContact CD2-CE2 4.14Å; F460-Y479 HydrophobicContact CD2-CG 4.36Å; F460-Y479 HydrophobicContact CE1-CD2 4.46Å; F460-Y479 HydrophobicContact CE2-CD2 4.16Å; F460-Y479 AromaticContact CG-CD2 3.42Å; F460-Y479 HydrophobicContact CG-CD2 3.42Å; F460-Y479 VanDerWaalsContact CG-CD2 3.42Å; F460-Y479 HydrophobicContact CG-CE2 4.16Å; F460-Y479 AromaticContact CG-CG 3.78Å; F460-Y479 HydrophobicContact CG-CG 3.78Å; L464-Y479 HydrophobicContact CD1-CD1 4.05Å; L464-Y479 HydrophobicContact CD1-CE1 4.31Å; V475-Y479 WeakPolarHBondContact O-CB 3.49Å; V475-Y479 PolarHBondContact O-N 3.4Å; E477-Y479 VanDerWaalsContact C-N 3.26Å; E477-Y479 PolarHBondContact O-N 3.03Å; Y479-W482 AromaticContact CD2-CE3 3.84Å; Y479-W482 HydrophobicContact CD2-CE3 3.84Å; Y479-W482 HydrophobicContact CD2-CZ3 4.29Å; Y479-W482 AromaticContact CE2-CE3 3.81Å; Y479-W482 HydrophobicContact CE2-CE3 3.81Å; Y479-W482 AromaticContact CE2-CZ3 3.78Å; Y479-W482 HydrophobicContact CE2-CZ3 3.78Å; Y479-S483 WeakPolarHBondContact O-CB 3.36Å; Y479-S483 PolarHBondContact O-N 3.43Å; Y479-S483 PolarHBondContact O-OG 3.14Å; Y479-T495 HydrophobicContact CD1-CG2 3.64Å; Y479-T495 HydrophobicContact CE1-CG2 3.55Å; Y479-T495 HydrophobicContact CE2-CG2 4.48Å; Y479-T495 HydrophobicContact CG-CG2 4.11Å; Y479-L499 HydrophobicContact CD1-CD1 3.5Å; Y479-L499 VanDerWaalsContact CD1-CD1 3.5Å; Y479-L499 HydrophobicContact CE1-CD1 3.94Å
480L89.9Confident87.6Confident0 Ų038.9 Ų38.90%022%0.219CC..Hα-helixtrans-63.4-51.4173.9-178.863.7000110.3K476 E477 W482 S483 Y484 A492 F496 F509 M513 I516K476-L480 PolarHBondContact O-N 2.88Å; E477-L480 WeakPolarHBondContact O-CB 3.39Å; E477-L480 PolarHBondContact O-N 3.27Å; L480-W482 VanDerWaalsContact C-N 3.35Å; L480-W482 PolarHBondContact O-N 3.18Å; L480-S483 PolarHBondContact O-N 3.17Å; L480-S483 VanDerWaalsContact O-N 3.14Å; L480-S483 PolarHBondContact O-OG 3.49Å; L480-Y484 PolarHBondContact O-N 2.99Å; L480-A492 HydrophobicContact CD1-CB 4.18Å; L480-A492 WeakPolarHBondContact CD1-O 3.44Å; L480-F496 HydrophobicContact CD1-CB 4.04Å; L480-F496 HydrophobicContact CD2-CD2 4.44Å; L480-F509 HydrophobicContact CB-CD2 4.14Å; L480-F509 HydrophobicContact CB-CE2 3.97Å; L480-F509 HydrophobicContact CD2-CD2 3.97Å; L480-F509 HydrophobicContact CD2-CE2 4Å; L480-F509 WeakPolarHBondContact CD2-O 3.34Å; L480-F509 HydrophobicContact CG-CE2 4.43Å; L480-M513 HydrophobicContact CD1-SD 4.1Å; L480-M513 HydrophobicContact CD2-CB 3.94Å; L480-I516 HydrophobicContact CG-CD1 4.27Å
481D89.1Confident87.7Confident59 Ų5939.3 Ų39.332%0.31621%0.213SC..Hα-helixtrans-60.3-44-179-65.1-16.2000111.3E477 L478 Y484 S485E477-D481 PolarHBondContact O-N 3.5Å; L478-D481 PolarHBondContact O-N 3.2Å; D481-Y484 WeakPolarHBondContact O-CB 3.37Å; D481-Y484 PolarHBondContact O-N 3.2Å; D481-S485 PolarHBondContact O-N 2.93Å
482W90.6Very high87.9Confident14 Ų1439.3 Ų39.35%0.05321%0.213CC..Hα-helixtrans-64.4-41.4174.6176.282.6000112.7M448 A453 T456 E457 F460 L478 Y479 L480 Y484 S485 V486M448-W482 HydrophobicContact CG-CG 4.35Å; M448-W482 HydrophobicContact SD-CB 4.11Å; M448-W482 HydrophobicContact SD-CG 4.14Å; A453-W482 HydrophobicContact CB-CH2 4.35Å; A453-W482 HydrophobicContact CB-CZ2 4.09Å; A453-W482 WeakPolarHBondContact O-CH2 3.47Å; T456-W482 HydrophobicContact CG2-CD2 4.4Å; T456-W482 HydrophobicContact CG2-CZ2 3.86Å; E457-W482 HydrophobicContact CB-CH2 4.02Å; E457-W482 HydrophobicContact CB-CZ3 4.22Å; E457-W482 HydrophobicContact CG-CZ3 4.44Å; F460-W482 HydrophobicContact CD2-CD2 4.28Å; F460-W482 HydrophobicContact CD2-CE3 4.14Å; F460-W482 HydrophobicContact CE2-CB 3.86Å; F460-W482 AromaticContact CE2-CD2 3.67Å; F460-W482 HydrophobicContact CE2-CD2 3.67Å; F460-W482 AromaticContact CE2-CE3 3.95Å; F460-W482 HydrophobicContact CE2-CE3 3.95Å; F460-W482 AromaticContact CE2-CG 3.63Å; F460-W482 HydrophobicContact CE2-CG 3.63Å; F460-W482 HydrophobicContact CZ-CB 3.81Å; F460-W482 HydrophobicContact CZ-CG 4.07Å; L478-W482 VanDerWaalsContact O-CB 3.28Å; L478-W482 WeakPolarHBondContact O-CB 3.09Å; L478-W482 PolarHBondContact O-N 3.22Å; Y479-W482 AromaticContact CD2-CE3 3.84Å; Y479-W482 HydrophobicContact CD2-CE3 3.84Å; Y479-W482 HydrophobicContact CD2-CZ3 4.29Å; Y479-W482 AromaticContact CE2-CE3 3.81Å; Y479-W482 HydrophobicContact CE2-CE3 3.81Å; Y479-W482 AromaticContact CE2-CZ3 3.78Å; Y479-W482 HydrophobicContact CE2-CZ3 3.78Å; L480-W482 VanDerWaalsContact C-N 3.35Å; L480-W482 PolarHBondContact O-N 3.18Å; W482-Y484 PolarHBondContact O-N 3.31Å; W482-S485 PolarHBondContact O-N 3.43Å; W482-S485 PolarHBondContact O-OG 3.1Å; W482-V486 HydrophobicContact CD2-CG2 4.18Å; W482-V486 HydrophobicContact CG-CG2 4.45Å; W482-V486 HydrophobicContact CZ2-CG2 3.94Å; W482-V486 WeakPolarHBondContact O-CG2 3.26Å; W482-V486 PolarHBondContact O-N 2.91Å
483S88.8Confident87.9Confident0 Ų043.2 Ų43.20%023%0.226CC..Hα-helixtrans-65.5-30.517972.70000112.2Y479 L480 G487 A492 T495Y479-S483 WeakPolarHBondContact O-CB 3.36Å; Y479-S483 PolarHBondContact O-N 3.43Å; Y479-S483 PolarHBondContact O-OG 3.14Å; L480-S483 PolarHBondContact O-N 3.17Å; L480-S483 VanDerWaalsContact O-N 3.14Å; L480-S483 PolarHBondContact O-OG 3.49Å; S483-G487 PolarHBondContact O-N 3.43Å; S483-A492 WeakPolarHBondContact OG-CA 3.36Å; S483-T495 VanDerWaalsContact CB-OG1 3.29Å; S483-T495 WeakPolarHBondContact CB-OG1 3.41Å; S483-T495 PolarHBondContact OG-OG1 3.11Å
484Y89.3Confident88.1Confident67 Ų6748 Ų4826%0.26325%0.245SC..Hα-helixtrans-70.2-46.3171.3-176.7-120.7000112.1L480 D481 W482 V486 G488 A492 I516L480-Y484 PolarHBondContact O-N 2.99Å; D481-Y484 WeakPolarHBondContact O-CB 3.37Å; D481-Y484 PolarHBondContact O-N 3.2Å; W482-Y484 PolarHBondContact O-N 3.31Å; Y484-V486 VanDerWaalsContact C-N 3.33Å; Y484-V486 PolarHBondContact O-N 2.84Å; Y484-G488 WeakPolarHBondContact O-CA 3.47Å; Y484-G488 PolarHBondContact O-N 3.41Å; Y484-A492 HydrophobicContact CD2-CB 4.03Å; Y484-A492 HydrophobicContact CG-CB 4.4Å; Y484-I516 HydrophobicContact CD1-CD1 4.18Å; Y484-I516 HydrophobicContact CD1-CG1 3.98Å; Y484-I516 HydrophobicContact CD2-CD1 4.3Å; Y484-I516 HydrophobicContact CD2-CG1 4.23Å; Y484-I516 HydrophobicContact CD2-CG2 3.66Å; Y484-I516 HydrophobicContact CE1-CG1 4.13Å; Y484-I516 HydrophobicContact CE2-CG1 4.4Å; Y484-I516 HydrophobicContact CE2-CG2 3.57Å; Y484-I516 HydrophobicContact CG-CD1 3.89Å; Y484-I516 HydrophobicContact CG-CG1 4.02Å; Y484-I516 HydrophobicContact CG-CG2 4.3Å
485S86.7Confident88.2Confident92 Ų9246.1 Ų46.164%0.64324%0.237SC*.Hα-helixtrans-64.3-35.7-179.269.20000113.3D481 W482D481-S485 PolarHBondContact O-N 2.93Å; W482-S485 PolarHBondContact O-N 3.43Å; W482-S485 PolarHBondContact O-OG 3.1Å
486V86.4Confident88.3Confident77 Ų7746 Ų4647%0.46724%0.236SC..Hα-helixtrans-85.6-41.5-178.7175.90000113W482 Y484W482-V486 HydrophobicContact CD2-CG2 4.18Å; W482-V486 HydrophobicContact CG-CG2 4.45Å; W482-V486 HydrophobicContact CZ2-CG2 3.94Å; W482-V486 WeakPolarHBondContact O-CG2 3.26Å; W482-V486 PolarHBondContact O-N 2.91Å; Y484-V486 VanDerWaalsContact C-N 3.33Å; Y484-V486 PolarHBondContact O-N 2.84Å
487G81.4Confident88.3Confident35 Ų3549.5 Ų49.536%0.36126%0.258SS..Hα-helixtrans-122.17.7-168.300000115.1S483S483-G487 PolarHBondContact O-N 3.43Å
488G87.7Confident88.2Confident29 Ų2952.3 Ų52.330%0.29928%0.279SS..Hα-helixtrans60.5-164.6-177.300000113.5Y484 K490 K491 A492Y484-G488 WeakPolarHBondContact O-CA 3.47Å; Y484-G488 PolarHBondContact O-N 3.41Å; G488-K490 VanDerWaalsContact C-N 3.31Å; G488-K490 PolarHBondContact O-N 3.31Å; G488-K491 PolarHBondContact O-N 3.35Å; G488-A492 PolarHBondContact O-N 3.33Å; G488-A492 VanDerWaalsContact O-N 3.09Å
489Y87.7Confident88.2Confident40 Ų4050.7 Ų50.716%0.15727%0.271CS..Hα-helixtrans-54.9-40.4-175.1174.5-98000114.2K491 A492 R493 M513 I516 E517 Q520 N527Y489-K491 VanDerWaalsContact C-N 3.34Å; Y489-K491 PolarHBondContact O-N 3Å; Y489-A492 PolarHBondContact O-N 3.39Å; Y489-R493 WeakPolarHBondContact O-CB 3.5Å; Y489-R493 PolarHBondContact O-N 2.88Å; Y489-M513 HydrophobicContact CE2-CE 3.97Å; Y489-I516 HydrophobicContact CD2-CG2 3.88Å; Y489-E517 WeakPolarHBondContact CE2-OE2 3.3Å; Y489-E517 VanDerWaalsContact OH-CD 3.31Å; Y489-E517 PolarHBondContact OH-OE1 3.43Å; Y489-E517 PolarHBondContact OH-OE2 3.24Å; Y489-Q520 VanDerWaalsContact CB-OE1 3.3Å; Y489-Q520 HydrophobicContact CD2-CG 3.69Å; Y489-Q520 HydrophobicContact CE2-CG 4.06Å; Y489-Q520 HydrophobicContact CG-CG 4.1Å; Y489-N527 PolarHBondContact OH-ND2 3.27Å
490K87.4Confident88Confident171 Ų17150.9 Ų50.974%0.74327%0.272SS*.Hα-helixtrans-63.8-39-177.7-68.7-175.8-176.4174.70112.2G488 K494G488-K490 VanDerWaalsContact C-N 3.31Å; G488-K490 PolarHBondContact O-N 3.31Å; K490-K494 WeakPolarHBondContact O-CG 3.18Å; K490-K494 PolarHBondContact O-N 3Å
491K88.4Confident87.7Confident56 Ų5657 Ų5724%0.24330%0.301CS..Hα-helixtrans-74-45.6177.6-165.7178.5-178-178.70110.1E457 G488 Y489 R493 K494 T495E457-K491 IonicContact OE2-NZ 3.95Å; G488-K491 PolarHBondContact O-N 3.35Å; Y489-K491 VanDerWaalsContact C-N 3.34Å; Y489-K491 PolarHBondContact O-N 3Å; K491-R493 VanDerWaalsContact C-N 3.33Å; K491-R493 PolarHBondContact O-N 3.21Å; K491-K494 PolarHBondContact O-N 2.57Å; K491-K494 VanDerWaalsContact O-N 3.12Å; K491-T495 PolarHBondContact O-N 2.97Å; K491-T495 PolarHBondContact O-OG1 3.04Å
492A89.4Confident87.4Confident0 Ų058.3 Ų58.30%031%0.308CS..Hα-helixtrans-52.9-47.6175.500000112.9L480 S483 Y484 G488 Y489 K494 T495 F496 I516L480-A492 HydrophobicContact CD1-CB 4.18Å; L480-A492 WeakPolarHBondContact CD1-O 3.44Å; S483-A492 WeakPolarHBondContact OG-CA 3.36Å; Y484-A492 HydrophobicContact CD2-CB 4.03Å; Y484-A492 HydrophobicContact CG-CB 4.4Å; G488-A492 PolarHBondContact O-N 3.33Å; G488-A492 VanDerWaalsContact O-N 3.09Å; Y489-A492 PolarHBondContact O-N 3.39Å; A492-K494 PolarHBondContact O-N 3.08Å; A492-T495 WeakPolarHBondContact O-CB 2.85Å; A492-T495 PolarHBondContact O-N 3.35Å; A492-F496 WeakPolarHBondContact O-CB 3.28Å; A492-F496 PolarHBondContact O-N 3.43Å; A492-I516 HydrophobicContact CB-CD1 4.49Å; A492-I516 HydrophobicContact CB-CG2 4.49Å
493R88.2Confident87Confident89 Ų8965.9 Ų65.934%0.33634%0.336SS..Hα-helixtrans-63-40.9178.3-176.1177.6177.2165.27.7113Y489 K491 F496 T497 M513 N527Y489-R493 WeakPolarHBondContact O-CB 3.5Å; Y489-R493 PolarHBondContact O-N 2.88Å; K491-R493 VanDerWaalsContact C-N 3.33Å; K491-R493 PolarHBondContact O-N 3.21Å; R493-F496 PolarHBondContact O-N 2.93Å; R493-T497 WeakPolarHBondContact O-CB 3.46Å; R493-T497 PolarHBondContact O-N 2.89Å; R493-T497 PolarHBondContact O-OG1 3.22Å; R493-M513 HydrophobicContact CB-CE 4.04Å; R493-M513 HydrophobicContact CG-CE 4.38Å; R493-N527 PolarHBondContact NH1-ND2 3.44Å; R493-N527 PolarHBondContact NH2-OD1 2.92Å
494K90.2Very high86.8Confident159 Ų15967.8 Ų67.869%0.69135%0.348SS*.Hα-helixtrans-62.8-45.9175.7-75.5-179.5179.2-175.40110.6K490 K491 A492 T497 S498K490-K494 WeakPolarHBondContact O-CG 3.18Å; K490-K494 PolarHBondContact O-N 3Å; K491-K494 PolarHBondContact O-N 2.57Å; K491-K494 VanDerWaalsContact O-N 3.12Å; A492-K494 PolarHBondContact O-N 3.08Å; K494-T497 PolarHBondContact O-N 2.66Å; K494-S498 PolarHBondContact O-N 3.33Å; K494-S498 PolarHBondContact O-OG 2.93Å
495T88.8Confident86.5Confident8 Ų865.7 Ų65.75%0.04934%0.342CS..Hα-helixtrans-58.4-50.7176-52.80000110.7Y479 S483 K491 A492 T497 S498 L499Y479-T495 HydrophobicContact CD1-CG2 3.64Å; Y479-T495 HydrophobicContact CE1-CG2 3.55Å; Y479-T495 HydrophobicContact CE2-CG2 4.48Å; Y479-T495 HydrophobicContact CG-CG2 4.11Å; S483-T495 VanDerWaalsContact CB-OG1 3.29Å; S483-T495 WeakPolarHBondContact CB-OG1 3.41Å; S483-T495 PolarHBondContact OG-OG1 3.11Å; K491-T495 PolarHBondContact O-N 2.97Å; K491-T495 PolarHBondContact O-OG1 3.04Å; A492-T495 WeakPolarHBondContact O-CB 2.85Å; A492-T495 PolarHBondContact O-N 3.35Å; T495-T497 PolarHBondContact O-N 2.89Å; T495-S498 PolarHBondContact O-N 2.94Å; T495-S498 VanDerWaalsContact O-N 3.14Å; T495-S498 PolarHBondContact O-OG 3.41Å; T495-L499 HydrophobicContact CG2-CD1 3.63Å; T495-L499 HydrophobicContact CG2-CG 4.45Å; T495-L499 VanDerWaalsContact O-CG 3.31Å; T495-L499 WeakPolarHBondContact O-CG 3.38Å; T495-L499 PolarHBondContact O-N 3.15Å; T495-L499 VanDerWaalsContact O-N 3.09Å
496F89.6Confident86.6Confident0 Ų061.8 Ų61.80%032%0.315CS..Hα-helixtrans-55.6-50.3177.4-179.4-93.3000111.9L480 A492 R493 S498 L499 Q500 F509 F510 M513 Y531L480-F496 HydrophobicContact CD1-CB 4.04Å; L480-F496 HydrophobicContact CD2-CD2 4.44Å; A492-F496 WeakPolarHBondContact O-CB 3.28Å; A492-F496 PolarHBondContact O-N 3.43Å; R493-F496 PolarHBondContact O-N 2.93Å; F496-S498 PolarHBondContact O-N 3.12Å; F496-L499 PolarHBondContact O-N 3.43Å; F496-Q500 HydrophobicContact CD1-CB 4.46Å; F496-Q500 HydrophobicContact CE1-CB 4.1Å; F496-Q500 HydrophobicContact CZ-CB 4.22Å; F496-Q500 WeakPolarHBondContact O-CB 3.33Å; F496-Q500 PolarHBondContact O-N 3.21Å; F496-F509 HydrophobicContact CD2-CD1 4.25Å; F496-F509 AromaticContact CD2-CE1 3.45Å; F496-F509 HydrophobicContact CD2-CE1 3.45Å; F496-F509 VanDerWaalsContact CD2-CE1 3.45Å; F496-F509 HydrophobicContact CD2-CE2 4.23Å; F496-F509 AromaticContact CD2-CZ 3.45Å; F496-F509 HydrophobicContact CD2-CZ 3.45Å; F496-F509 VanDerWaalsContact CD2-CZ 3.45Å; F496-F509 AromaticContact CE2-CD1 3.97Å; F496-F509 HydrophobicContact CE2-CD1 3.97Å; F496-F509 AromaticContact CE2-CE1 3.42Å; F496-F509 HydrophobicContact CE2-CE1 3.42Å; F496-F509 VanDerWaalsContact CE2-CE1 3.42Å; F496-F509 AromaticContact CE2-CZ 3.97Å; F496-F509 HydrophobicContact CE2-CZ 3.97Å; F496-F509 HydrophobicContact CG-CE1 4.45Å; F496-F509 HydrophobicContact CG-CZ 4.25Å; F496-F509 HydrophobicContact CZ-CE1 4.41Å; F496-F510 AromaticContact CE2-CD1 3.73Å; F496-F510 HydrophobicContact CE2-CD1 3.73Å; F496-F510 HydrophobicContact CE2-CE1 4.04Å; F496-F510 AromaticContact CZ-CD1 3.61Å; F496-F510 HydrophobicContact CZ-CD1 3.61Å; F496-F510 AromaticContact CZ-CE1 3.73Å; F496-F510 HydrophobicContact CZ-CE1 3.73Å; F496-M513 HydrophobicContact CB-CG 4.18Å; F496-M513 HydrophobicContact CB-SD 3.82Å; F496-M513 HydrophobicContact CD1-CG 4.12Å; F496-M513 HydrophobicContact CD2-CB 3.54Å; F496-M513 HydrophobicContact CD2-CG 3.54Å; F496-M513 HydrophobicContact CD2-SD 4.22Å; F496-M513 HydrophobicContact CE1-CG 4.42Å; F496-M513 HydrophobicContact CE2-CB 3.67Å; F496-M513 HydrophobicContact CE2-CG 3.88Å; F496-M513 HydrophobicContact CG-CB 4.21Å; F496-M513 HydrophobicContact CG-CG 3.67Å; F496-M513 HydrophobicContact CG-SD 4Å; F496-M513 HydrophobicContact CZ-CB 4.43Å; F496-M513 HydrophobicContact CZ-CG 4.31Å; F496-Y531 HydrophobicContact CD1-CD1 4.17Å; F496-Y531 AromaticContact CD1-CE1 3.73Å; F496-Y531 HydrophobicContact CD1-CE1 3.73Å; F496-Y531 AromaticContact CE1-CD1 3.39Å; F496-Y531 HydrophobicContact CE1-CD1 3.39Å; F496-Y531 AromaticContact CE1-CE1 3.39Å; F496-Y531 HydrophobicContact CE1-CE1 3.39Å; F496-Y531 HydrophobicContact CE1-CG 4.46Å; F496-Y531 AromaticContact CZ-CD1 3.73Å; F496-Y531 HydrophobicContact CZ-CD1 3.73Å; F496-Y531 HydrophobicContact CZ-CE1 4.15Å; F496-Y531 HydrophobicContact CZ-CG 4.46Å
497T88.3Confident86.6Confident75 Ų7561.4 Ų61.446%0.4631%0.307SS..Hα-helixtrans-59.2-36.7-179.7-52.40000111.8R493 K494 T495 Q500R493-T497 WeakPolarHBondContact O-CB 3.46Å; R493-T497 PolarHBondContact O-N 2.89Å; R493-T497 PolarHBondContact O-OG1 3.22Å; K494-T497 PolarHBondContact O-N 2.66Å; T495-T497 PolarHBondContact O-N 2.89Å; T497-Q500 PolarHBondContact O-NE2 3.49Å
498S88.1Confident87Confident74 Ų7464.2 Ų64.252%0.51731%0.309SS..Hα-helixtrans-75.7-23.1178.971.60000114.1K494 T495 F496 N502K494-S498 PolarHBondContact O-N 3.33Å; K494-S498 PolarHBondContact O-OG 2.93Å; T495-S498 PolarHBondContact O-N 2.94Å; T495-S498 VanDerWaalsContact O-N 3.14Å; T495-S498 PolarHBondContact O-OG 3.41Å; F496-S498 PolarHBondContact O-N 3.12Å; S498-N502 PolarHBondContact O-ND2 3.39Å
499L88.4Confident87.1Confident7 Ų762.9 Ų62.94%0.03730%0.295CS..Hα-helixtrans-109.5-17-172.6-59.8175.6000113.7L464 K476 Y479 T495 F496 E501 N502 F509L464-L499 HydrophobicContact CD1-CD1 4.32Å; L464-L499 HydrophobicContact CD1-CD2 3.56Å; L464-L499 HydrophobicContact CD2-CD2 4.4Å; K476-L499 WeakPolarHBondContact CE-O 3.47Å; K476-L499 HydrophobicContact CG-CB 4.4Å; K476-L499 HydrophobicContact CG-CD1 4.26Å; K476-L499 PolarHBondContact NZ-O 2.87Å; Y479-L499 HydrophobicContact CD1-CD1 3.5Å; Y479-L499 VanDerWaalsContact CD1-CD1 3.5Å; Y479-L499 HydrophobicContact CE1-CD1 3.94Å; T495-L499 HydrophobicContact CG2-CD1 3.63Å; T495-L499 HydrophobicContact CG2-CG 4.45Å; T495-L499 VanDerWaalsContact O-CG 3.31Å; T495-L499 WeakPolarHBondContact O-CG 3.38Å; T495-L499 PolarHBondContact O-N 3.15Å; T495-L499 VanDerWaalsContact O-N 3.09Å; F496-L499 PolarHBondContact O-N 3.43Å; L499-E501 PolarHBondContact O-N 2.9Å; L499-E501 VanDerWaalsContact O-N 3.08Å; L499-N502 WeakPolarHBondContact O-CB 3.43Å; L499-N502 PolarHBondContact O-N 3.48Å; L499-F509 HydrophobicContact CB-CE2 4.44Å; L499-F509 HydrophobicContact CB-CZ 3.94Å
500Q84.3Confident87.2Confident17 Ų1761.1 Ų61.18%0.07929%0.288CS..THydrogen-bonded Turntrans-57.5-25.7-175.264.7-171.3-14.400114.5F496 T497 L505F496-Q500 HydrophobicContact CD1-CB 4.46Å; F496-Q500 HydrophobicContact CE1-CB 4.1Å; F496-Q500 HydrophobicContact CZ-CB 4.22Å; F496-Q500 WeakPolarHBondContact O-CB 3.33Å; F496-Q500 PolarHBondContact O-N 3.21Å; T497-Q500 PolarHBondContact O-NE2 3.49Å; Q500-L505 WeakPolarHBondContact O-CD2 3.4Å
501E83.6Confident87.3Confident129 Ų12954.9 Ų54.960%0.60326%0.264SS*.THydrogen-bonded Turntrans-94.5-12.7176.8-56-58.2150.200113.1L499 R503 R534L499-E501 PolarHBondContact O-N 2.9Å; L499-E501 VanDerWaalsContact O-N 3.08Å; E501-R503 PolarHBondContact O-N 2.74Å; E501-R534 IonicContact OE1-CZ 3.45Å; E501-R534 IonicContact OE1-NH1 2.72Å; E501-R534 PolarHBondContact OE1-NH1 3.22Å
502N83.3Confident87.4Confident86 Ų8653.3 Ų53.346%0.4626%0.26SS..SBendtrans-79.7104.4-176.4-66.1-11.6000110.1K476 S498 L499K476-N502 PolarHBondContact NZ-O 3.41Å; S498-N502 PolarHBondContact O-ND2 3.39Å; L499-N502 WeakPolarHBondContact O-CB 3.43Å; L499-N502 PolarHBondContact O-N 3.48Å
503R80.5Confident87.5Confident172 Ų17253.3 Ų53.365%0.64926%0.26SS*.SBendtrans-74.3148.4175.4-66-172.5-177.9-94.5-7.1111.1E501 L505 E538E501-R503 PolarHBondContact O-N 2.74Å; R503-L505 HydrophobicContact CG-CD1 4.39Å; R503-L505 HydrophobicContact CG-CG 4.37Å; R503-E538 IonicContact CZ-OE1 3.93Å; R503-E538 IonicContact CZ-OE2 2.59Å; R503-E538 IonicContact NH1-OE1 3.35Å; R503-E538 IonicContact NH1-OE2 3.69Å; R503-E538 PolarHBondContact NH1-OE2 3.19Å; R503-E538 IonicContact NH2-OE1 3.62Å; R503-E538 PolarHBondContact NH2-OE1 3.46Å; R503-E538 IonicContact NH2-OE2 2.64Å; R503-E538 PolarHBondContact NH2-OE2 2.96Å
504P84.5Confident87.5Confident40 Ų4049.2 Ų49.226%0.2625%0.245SC..SBendcis-74.9151.72.731.5-38.6000114.5P469 A472 M473P469-P504 HydrophobicContact CB-CB 4.48Å; P469-P504 HydrophobicContact CB-CG 4.02Å; P469-P504 WeakPolarHBondContact O-CG 3.47Å; A472-P504 HydrophobicContact CB-CG 4.12Å; M473-P504 HydrophobicContact CG-CB 3.65Å; M473-P504 HydrophobicContact CG-CG 3.43Å; M473-P504 VanDerWaalsContact CG-CG 3.43Å; M473-P504 HydrophobicContact SD-CB 3.95Å; M473-P504 HydrophobicContact SD-CG 4.29Å
505L84.7Confident87.5Confident23 Ų2346.1 Ų46.112%0.1223%0.233CC..  trans-105142.2-180-67.3168.6000109.9Q500 R503 F510 E538 F539Q500-L505 WeakPolarHBondContact O-CD2 3.4Å; R503-L505 HydrophobicContact CG-CD1 4.39Å; R503-L505 HydrophobicContact CG-CG 4.37Å; L505-F510 HydrophobicContact CB-CE2 4.19Å; L505-F510 HydrophobicContact CD2-CE2 4Å; L505-F510 HydrophobicContact CD2-CZ 3.95Å; L505-F510 HydrophobicContact CG-CE2 4.48Å; L505-E538 HydrophobicContact CD1-CG 3.7Å; L505-F539 HydrophobicContact CB-CZ 4.28Å
506S87.4Confident87.6Confident11 Ų1146.1 Ų46.18%0.07723%0.233CC..  trans-122.4144.6175.471.80000110.9E477 K508 F509 F510 F539E477-S506 WeakPolarHBondContact CG-OG 3.31Å; E477-S506 WeakPolarHBondContact OE1-CB 3.22Å; E477-S506 PolarHBondContact OE1-OG 2.72Å; S506-K508 VanDerWaalsContact C-N 3.26Å; S506-K508 PolarHBondContact O-N 3.48Å; S506-F509 WeakPolarHBondContact O-CB 3.26Å; S506-F509 PolarHBondContact O-N 3.26Å; S506-F509 WeakPolarHBondContact OG-CB 3.46Å; S506-F509 PolarHBondContact OG-N 3.33Å; S506-F510 VanDerWaalsContact O-CD2 3.3Å; S506-F510 WeakPolarHBondContact O-CD2 3.4Å; S506-F539 VanDerWaalsContact C-CZ 3.5Å
507K87.6Confident87.5Confident69 Ų6946.2 Ų46.230%0.323%0.233SC..Hα-helixtrans-56.7-44.9175.6178.4-172.4-179.1168.20110.7F509 F510 T511 F539 D543K507-F509 VanDerWaalsContact C-N 3.27Å; K507-F509 PolarHBondContact O-N 3.34Å; K507-F510 PolarHBondContact O-N 3.01Å; K507-T511 HydrophobicContact CG-CG2 3.99Å; K507-T511 PolarHBondContact O-N 3.29Å; K507-T511 PolarHBondContact O-OG1 3.19Å; K507-F539 HydrophobicContact CB-CD2 4.28Å; K507-F539 HydrophobicContact CB-CE2 4.32Å; K507-F539 HydrophobicContact CB-CG 4.45Å; K507-D543 WeakPolarHBondContact CD-OD2 3.37Å; K507-D543 WeakPolarHBondContact CE-OD2 3.36Å; K507-D543 IonicContact NZ-OD1 2.83Å; K507-D543 PolarHBondContact NZ-OD1 3.45Å; K507-D543 IonicContact NZ-OD2 3.28Å; K507-D543 PolarHBondContact NZ-OD2 3.36Å
508K88.4Confident87.5Confident94 Ų9445.3 Ų45.341%0.40922%0.223SC..Hα-helixtrans-59.5-37.7-175.9176.7164.9160.2-1190112.1E477 S506 F510 T511 S512E477-K508 HydrophobicContact CG-CB 4.38Å; E477-K508 HydrophobicContact CG-CG 4.32Å; E477-K508 WeakPolarHBondContact OE1-CB 3.23Å; E477-K508 WeakPolarHBondContact OE2-CD 3.42Å; E477-K508 VanDerWaalsContact OE2-CE 3.3Å; E477-K508 WeakPolarHBondContact OE2-CE 3.37Å; E477-K508 WeakPolarHBondContact OE2-CG 3.36Å; E477-K508 IonicContact OE2-NZ 3.36Å; E477-K508 PolarHBondContact OE2-NZ 3.31Å; S506-K508 VanDerWaalsContact C-N 3.26Å; S506-K508 PolarHBondContact O-N 3.48Å; K508-F510 PolarHBondContact O-N 2.92Å; K508-T511 VanDerWaalsContact CA-OG1 3.27Å; K508-T511 WeakPolarHBondContact CA-OG1 3.39Å; K508-T511 PolarHBondContact O-N 3.37Å; K508-T511 PolarHBondContact O-OG1 3.03Å; K508-T511 VanDerWaalsContact O-OG1 3.05Å; K508-S512 WeakPolarHBondContact O-CB 3.34Å; K508-S512 PolarHBondContact O-N 3.48Å; K508-S512 PolarHBondContact O-OG 2.94Å; K508-S512 VanDerWaalsContact O-OG 3.12Å
509F89.9Confident87.4Confident0 Ų047 Ų470%022%0.223CC..Hα-helixtrans-57.9-44.9173.6174.4-103.5000112.9K476 E477 L480 F496 L499 S506 K507 M513K476-F509 HydrophobicContact CD-CD2 4.33Å; K476-F509 HydrophobicContact CD-CE2 4.39Å; K476-F509 HydrophobicContact CD-CG 4.39Å; K476-F509 VanDerWaalsContact CE-CE1 3.49Å; K476-F509 HydrophobicContact CG-CD2 3.64Å; K476-F509 HydrophobicContact CG-CE2 3.67Å; K476-F509 HydrophobicContact CG-CG 4.16Å; K476-F509 HydrophobicContact CG-CZ 4.24Å; E477-F509 HydrophobicContact CG-CB 4.04Å; L480-F509 HydrophobicContact CB-CD2 4.14Å; L480-F509 HydrophobicContact CB-CE2 3.97Å; L480-F509 HydrophobicContact CD2-CD2 3.97Å; L480-F509 HydrophobicContact CD2-CE2 4Å; L480-F509 WeakPolarHBondContact CD2-O 3.34Å; L480-F509 HydrophobicContact CG-CE2 4.43Å; F496-F509 HydrophobicContact CD2-CD1 4.25Å; F496-F509 AromaticContact CD2-CE1 3.45Å; F496-F509 HydrophobicContact CD2-CE1 3.45Å; F496-F509 VanDerWaalsContact CD2-CE1 3.45Å; F496-F509 HydrophobicContact CD2-CE2 4.23Å; F496-F509 AromaticContact CD2-CZ 3.45Å; F496-F509 HydrophobicContact CD2-CZ 3.45Å; F496-F509 VanDerWaalsContact CD2-CZ 3.45Å; F496-F509 AromaticContact CE2-CD1 3.97Å; F496-F509 HydrophobicContact CE2-CD1 3.97Å; F496-F509 AromaticContact CE2-CE1 3.42Å; F496-F509 HydrophobicContact CE2-CE1 3.42Å; F496-F509 VanDerWaalsContact CE2-CE1 3.42Å; F496-F509 AromaticContact CE2-CZ 3.97Å; F496-F509 HydrophobicContact CE2-CZ 3.97Å; F496-F509 HydrophobicContact CG-CE1 4.45Å; F496-F509 HydrophobicContact CG-CZ 4.25Å; F496-F509 HydrophobicContact CZ-CE1 4.41Å; L499-F509 HydrophobicContact CB-CE2 4.44Å; L499-F509 HydrophobicContact CB-CZ 3.94Å; S506-F509 WeakPolarHBondContact O-CB 3.26Å; S506-F509 PolarHBondContact O-N 3.26Å; S506-F509 WeakPolarHBondContact OG-CB 3.46Å; S506-F509 PolarHBondContact OG-N 3.33Å; K507-F509 VanDerWaalsContact C-N 3.27Å; K507-F509 PolarHBondContact O-N 3.34Å; F509-M513 PolarHBondContact O-N 3.2Å
510F89.6Confident87.3Confident4 Ų449 Ų492%0.01823%0.232CC..Hα-helixtrans-71.8-42.9177.8-69-79.9000112.2F496 L505 S506 K507 K508 S512 M513 I514 R534 A535 F539F496-F510 AromaticContact CE2-CD1 3.73Å; F496-F510 HydrophobicContact CE2-CD1 3.73Å; F496-F510 HydrophobicContact CE2-CE1 4.04Å; F496-F510 AromaticContact CZ-CD1 3.61Å; F496-F510 HydrophobicContact CZ-CD1 3.61Å; F496-F510 AromaticContact CZ-CE1 3.73Å; F496-F510 HydrophobicContact CZ-CE1 3.73Å; L505-F510 HydrophobicContact CB-CE2 4.19Å; L505-F510 HydrophobicContact CD2-CE2 4Å; L505-F510 HydrophobicContact CD2-CZ 3.95Å; L505-F510 HydrophobicContact CG-CE2 4.48Å; S506-F510 VanDerWaalsContact O-CD2 3.3Å; S506-F510 WeakPolarHBondContact O-CD2 3.4Å; K507-F510 PolarHBondContact O-N 3.01Å; K508-F510 PolarHBondContact O-N 2.92Å; F510-S512 VanDerWaalsContact C-N 3.31Å; F510-S512 PolarHBondContact O-N 2.68Å; F510-M513 PolarHBondContact O-N 3.22Å; F510-I514 VanDerWaalsContact O-CG1 3.32Å; F510-I514 WeakPolarHBondContact O-CG1 3.36Å; F510-I514 PolarHBondContact O-N 2.92Å; F510-R534 HydrophobicContact CD1-CB 4.42Å; F510-R534 HydrophobicContact CE1-CB 3.91Å; F510-A535 HydrophobicContact CB-CB 3.76Å; F510-A535 HydrophobicContact CD1-CB 4.31Å; F510-A535 HydrophobicContact CD2-CB 4.41Å; F510-A535 HydrophobicContact CG-CB 3.93Å; F510-F539 AromaticContact CD2-CE2 3.89Å; F510-F539 HydrophobicContact CD2-CE2 3.89Å; F510-F539 HydrophobicContact CE2-CE2 4.02Å
511T90.4Very high86.9Confident40 Ų4057.7 Ų57.725%0.24527%0.272CS..Hα-helixtrans-64.9-35.5178.955.70000112.1K507 K508 I514 Q515K507-T511 HydrophobicContact CG-CG2 3.99Å; K507-T511 PolarHBondContact O-N 3.29Å; K507-T511 PolarHBondContact O-OG1 3.19Å; K508-T511 VanDerWaalsContact CA-OG1 3.27Å; K508-T511 WeakPolarHBondContact CA-OG1 3.39Å; K508-T511 PolarHBondContact O-N 3.37Å; K508-T511 PolarHBondContact O-OG1 3.03Å; K508-T511 VanDerWaalsContact O-OG1 3.05Å; T511-I514 PolarHBondContact O-N 2.68Å; T511-Q515 WeakPolarHBondContact O-CB 3.32Å; T511-Q515 PolarHBondContact O-N 2.8Å
512S89.6Confident86.6Confident22 Ų2256.8 Ų56.815%0.15428%0.276CS..Hα-helixtrans-62-44.1173-71.40000111.5K508 F510 I514 Q515 I516K508-S512 WeakPolarHBondContact O-CB 3.34Å; K508-S512 PolarHBondContact O-N 3.48Å; K508-S512 PolarHBondContact O-OG 2.94Å; K508-S512 VanDerWaalsContact O-OG 3.12Å; F510-S512 VanDerWaalsContact C-N 3.31Å; F510-S512 PolarHBondContact O-N 2.68Å; S512-I514 PolarHBondContact O-N 3.14Å; S512-Q515 PolarHBondContact O-N 3.05Å; S512-I516 VanDerWaalsContact O-CG1 3.28Å; S512-I516 WeakPolarHBondContact O-CG1 3.39Å; S512-I516 PolarHBondContact O-N 3.01Å
513M91.4Very high86.5Confident0 Ų054.4 Ų54.40%027%0.265CS..Hα-helixtrans-64.7-40.1176.9-171.662.6-154.700112.4L480 Y489 R493 F496 F509 F510 Q515 I516 E517 Y531L480-M513 HydrophobicContact CD1-SD 4.1Å; L480-M513 HydrophobicContact CD2-CB 3.94Å; Y489-M513 HydrophobicContact CE2-CE 3.97Å; R493-M513 HydrophobicContact CB-CE 4.04Å; R493-M513 HydrophobicContact CG-CE 4.38Å; F496-M513 HydrophobicContact CB-CG 4.18Å; F496-M513 HydrophobicContact CB-SD 3.82Å; F496-M513 HydrophobicContact CD1-CG 4.12Å; F496-M513 HydrophobicContact CD2-CB 3.54Å; F496-M513 HydrophobicContact CD2-CG 3.54Å; F496-M513 HydrophobicContact CD2-SD 4.22Å; F496-M513 HydrophobicContact CE1-CG 4.42Å; F496-M513 HydrophobicContact CE2-CB 3.67Å; F496-M513 HydrophobicContact CE2-CG 3.88Å; F496-M513 HydrophobicContact CG-CB 4.21Å; F496-M513 HydrophobicContact CG-CG 3.67Å; F496-M513 HydrophobicContact CG-SD 4Å; F496-M513 HydrophobicContact CZ-CB 4.43Å; F496-M513 HydrophobicContact CZ-CG 4.31Å; F509-M513 PolarHBondContact O-N 3.2Å; F510-M513 PolarHBondContact O-N 3.22Å; M513-Q515 VanDerWaalsContact C-N 3.33Å; M513-I516 PolarHBondContact O-N 3.22Å; M513-E517 PolarHBondContact O-N 2.93Å; M513-Y531 HydrophobicContact CE-CE2 3.75Å; M513-Y531 WeakPolarHBondContact CE-OH 3.32Å; M513-Y531 HydrophobicContact CG-CD1 4.41Å; M513-Y531 HydrophobicContact CG-CD2 3.95Å; M513-Y531 HydrophobicContact CG-CE1 4.25Å; M513-Y531 HydrophobicContact CG-CE2 3.76Å; M513-Y531 HydrophobicContact CG-CG 4.29Å
514I89.9Confident86.7Confident4 Ų452.1 Ų52.12%0.02126%0.26CS..Hα-helixtrans-59.7-46.2174.8-71.5164.7000110.2F510 T511 S512 E517 K518 L528 Y531 Y532F510-I514 VanDerWaalsContact O-CG1 3.32Å; F510-I514 WeakPolarHBondContact O-CG1 3.36Å; F510-I514 PolarHBondContact O-N 2.92Å; T511-I514 PolarHBondContact O-N 2.68Å; S512-I514 PolarHBondContact O-N 3.14Å; I514-E517 PolarHBondContact O-N 3.34Å; I514-K518 HydrophobicContact CG2-CD 4.32Å; I514-K518 WeakPolarHBondContact O-CG 3.45Å; I514-K518 PolarHBondContact O-N 3.38Å; I514-L528 HydrophobicContact CG2-CD2 4.14Å; I514-Y531 HydrophobicContact CG1-CD2 4.5Å; I514-Y532 HydrophobicContact CD1-CD1 3.83Å; I514-Y532 HydrophobicContact CD1-CD2 4.21Å; I514-Y532 HydrophobicContact CD1-CE1 3.82Å; I514-Y532 HydrophobicContact CD1-CE2 4.16Å; I514-Y532 HydrophobicContact CD1-CG 4.04Å; I514-Y532 HydrophobicContact CG1-CE2 4.36Å; I514-Y532 HydrophobicContact CG2-CE1 4.47Å; I514-Y532 HydrophobicContact CG2-CE2 3.71Å; I514-Y532 WeakPolarHBondContact CG2-OH 3.37Å
515Q90.2Very high86.7Confident93 Ų9351.7 Ų51.744%0.43526%0.255SS..Hα-helixtrans-62.7-44.9178.4-175.558.229.400111.7T511 S512 M513 E517 K518 E519T511-Q515 WeakPolarHBondContact O-CB 3.32Å; T511-Q515 PolarHBondContact O-N 2.8Å; S512-Q515 PolarHBondContact O-N 3.05Å; M513-Q515 VanDerWaalsContact C-N 3.33Å; Q515-E517 VanDerWaalsContact C-N 3.28Å; Q515-E517 PolarHBondContact O-N 2.82Å; Q515-K518 PolarHBondContact O-N 3.32Å; Q515-K518 VanDerWaalsContact O-N 3.13Å; Q515-E519 WeakPolarHBondContact CG-OE1 3.28Å; Q515-E519 PolarHBondContact NE2-OE1 2.99Å; Q515-E519 WeakPolarHBondContact O-CG 3.24Å; Q515-E519 PolarHBondContact O-N 3.07Å
516I89.3Confident86.7Confident8 Ų856 Ų564%0.04128%0.278CS..Hα-helixtrans-57.6-40.5176-73.1164.8000111.7L480 Y484 Y489 A492 S512 M513 Q520L480-I516 HydrophobicContact CG-CD1 4.27Å; Y484-I516 HydrophobicContact CD1-CD1 4.18Å; Y484-I516 HydrophobicContact CD1-CG1 3.98Å; Y484-I516 HydrophobicContact CD2-CD1 4.3Å; Y484-I516 HydrophobicContact CD2-CG1 4.23Å; Y484-I516 HydrophobicContact CD2-CG2 3.66Å; Y484-I516 HydrophobicContact CE1-CG1 4.13Å; Y484-I516 HydrophobicContact CE2-CG1 4.4Å; Y484-I516 HydrophobicContact CE2-CG2 3.57Å; Y484-I516 HydrophobicContact CG-CD1 3.89Å; Y484-I516 HydrophobicContact CG-CG1 4.02Å; Y484-I516 HydrophobicContact CG-CG2 4.3Å; Y489-I516 HydrophobicContact CD2-CG2 3.88Å; A492-I516 HydrophobicContact CB-CD1 4.49Å; A492-I516 HydrophobicContact CB-CG2 4.49Å; S512-I516 VanDerWaalsContact O-CG1 3.28Å; S512-I516 WeakPolarHBondContact O-CG1 3.39Å; S512-I516 PolarHBondContact O-N 3.01Å; M513-I516 PolarHBondContact O-N 3.22Å; I516-Q520 WeakPolarHBondContact O-CG 3.46Å; I516-Q520 PolarHBondContact O-NE2 3.19Å
517E88.8Confident86.7Confident2 Ų256.4 Ų56.41%0.00928%0.279CS..Hα-helixtrans-69.3-37.1177.4-176.579.2-146.300112.1Y489 M513 I514 Q515 E519 Q520 K524 N527 L528 Y531Y489-E517 WeakPolarHBondContact CE2-OE2 3.3Å; Y489-E517 VanDerWaalsContact OH-CD 3.31Å; Y489-E517 PolarHBondContact OH-OE1 3.43Å; Y489-E517 PolarHBondContact OH-OE2 3.24Å; M513-E517 PolarHBondContact O-N 2.93Å; I514-E517 PolarHBondContact O-N 3.34Å; Q515-E517 VanDerWaalsContact C-N 3.28Å; Q515-E517 PolarHBondContact O-N 2.82Å; E517-E519 VanDerWaalsContact C-N 3.33Å; E517-Q520 WeakPolarHBondContact O-CB 3.19Å; E517-Q520 WeakPolarHBondContact O-CG 3.49Å; E517-Q520 PolarHBondContact O-N 2.88Å; E517-K524 PolarHBondContact OE1-N 2.9Å; E517-K524 VanDerWaalsContact OE1-N 3.13Å; E517-N527 HydrophobicContact CG-CB 4.28Å; E517-N527 PolarHBondContact OE1-ND2 2.73Å; E517-N527 WeakPolarHBondContact OE2-CB 3.41Å; E517-N527 PolarHBondContact OE2-ND2 2.87Å; E517-L528 HydrophobicContact CB-CD2 3.66Å; E517-L528 HydrophobicContact CB-CG 4.38Å; E517-L528 HydrophobicContact CG-CD2 3.54Å; E517-L528 HydrophobicContact CG-CG 3.69Å; E517-Y531 HydrophobicContact CB-CE2 4.18Å; E517-Y531 HydrophobicContact CG-CE2 4.29Å
518K86.8Confident86.6Confident57 Ų5753.4 Ų53.425%0.24827%0.266CS..Hα-helixtrans-66.8-33.3176.1-71.3178.8-173.2-175.20113.1I514 Q515 Q520 L528 Y532 E553I514-K518 HydrophobicContact CG2-CD 4.32Å; I514-K518 WeakPolarHBondContact O-CG 3.45Å; I514-K518 PolarHBondContact O-N 3.38Å; Q515-K518 PolarHBondContact O-N 3.32Å; Q515-K518 VanDerWaalsContact O-N 3.13Å; K518-Q520 PolarHBondContact O-N 2.99Å; K518-L528 HydrophobicContact CG-CD1 4.36Å; K518-L528 HydrophobicContact CG-CD2 4.04Å; K518-Y532 PolarHBondContact NZ-OH 3.04Å; K518-E553 WeakPolarHBondContact CE-OE1 3.41Å; K518-E553 WeakPolarHBondContact CE-OE2 3.22Å; K518-E553 IonicContact NZ-OE1 2.69Å; K518-E553 PolarHBondContact NZ-OE1 3.01Å; K518-E553 IonicContact NZ-OE2 3.53Å
519E87Confident86.6Confident110 Ų11050.8 Ų50.851%0.51425%0.254SS..THydrogen-bonded Turntrans-74.9-7179.1-73172.5-171.500113.6Q515 E517Q515-E519 WeakPolarHBondContact CG-OE1 3.28Å; Q515-E519 PolarHBondContact NE2-OE1 2.99Å; Q515-E519 WeakPolarHBondContact O-CG 3.24Å; Q515-E519 PolarHBondContact O-N 3.07Å; E517-E519 VanDerWaalsContact C-N 3.33Å
520Q85.8Confident86.6Confident49 Ų4954 Ų5423%0.22927%0.272CS..SBendtrans-71148.4176.5-58.9-51.7-66.400111.6Y489 I516 E517 K518 T522 P523Y489-Q520 VanDerWaalsContact CB-OE1 3.3Å; Y489-Q520 HydrophobicContact CD2-CG 3.69Å; Y489-Q520 HydrophobicContact CE2-CG 4.06Å; Y489-Q520 HydrophobicContact CG-CG 4.1Å; I516-Q520 WeakPolarHBondContact O-CG 3.46Å; I516-Q520 PolarHBondContact O-NE2 3.19Å; E517-Q520 WeakPolarHBondContact O-CB 3.19Å; E517-Q520 WeakPolarHBondContact O-CG 3.49Å; E517-Q520 PolarHBondContact O-N 2.88Å; K518-Q520 PolarHBondContact O-N 2.99Å; Q520-T522 PolarHBondContact O-N 3.2Å; Q520-T522 VanDerWaalsContact O-N 3.17Å; Q520-P523 VanDerWaalsContact O-CD 3.24Å; Q520-P523 WeakPolarHBondContact O-CD 3.18Å; Q520-P523 WeakPolarHBondContact O-CG 3.46Å
521E76.8Confident86.6Confident198 Ų19854.1 Ų54.193%0.92527%0.272SS*.SBendtrans-58.9-29.3176-65.4179.8172.700113
522T77.5Confident86.5Confident111 Ų11152.2 Ų52.268%0.68126%0.26SS*.SBendtrans-132.780.6176490000110.4Q520 K524Q520-T522 PolarHBondContact O-N 3.2Å; Q520-T522 VanDerWaalsContact O-N 3.17Å; T522-K524 PolarHBondContact O-N 3.29Å
523P80.8Confident86.5Confident35 Ų3553.8 Ų53.823%0.22727%0.265CS..  trans-61.4130.2180-2133.4000110.4Q520 I525 L558Q520-P523 VanDerWaalsContact O-CD 3.24Å; Q520-P523 WeakPolarHBondContact O-CD 3.18Å; Q520-P523 WeakPolarHBondContact O-CG 3.46Å; P523-I525 PolarHBondContact O-N 3.49Å; P523-L558 HydrophobicContact CB-CD1 4.18Å; P523-L558 HydrophobicContact CG-CD1 4.26Å
524K83.6Confident86.3Confident125 Ų12556.7 Ų56.754%0.54328%0.276SS..  trans-92.6107176.6-66.3-173.4-174.5-171.40109.5E517 T522 N526 N527 L528E517-K524 PolarHBondContact OE1-N 2.9Å; E517-K524 VanDerWaalsContact OE1-N 3.13Å; T522-K524 PolarHBondContact O-N 3.29Å; K524-N526 PolarHBondContact O-N 2.95Å; K524-N526 VanDerWaalsContact O-N 3.08Å; K524-N527 HydrophobicContact CB-CB 4.32Å; K524-N527 WeakPolarHBondContact O-CB 3.44Å; K524-N527 PolarHBondContact O-N 2.97Å; K524-L528 PolarHBondContact O-N 3.1Å
525I84.4Confident86.2Confident31 Ų3156.5 Ų56.516%0.15928%0.275CS..Hα-helixtrans-53.5-34.4179.3-164.868.9000112.9P523 N527 L528 R529 L558P523-I525 PolarHBondContact O-N 3.49Å; I525-N527 VanDerWaalsContact C-N 3.33Å; I525-N527 PolarHBondContact O-N 3.16Å; I525-L528 HydrophobicContact CD1-CD1 4.32Å; I525-L528 PolarHBondContact O-N 2.92Å; I525-R529 VanDerWaalsContact O-CG 3.26Å; I525-R529 WeakPolarHBondContact O-CG 3.31Å; I525-R529 PolarHBondContact O-N 3.42Å; I525-L558 WeakPolarHBondContact CG1-O 3.23Å
526N85.7Confident86.2Confident112 Ų11252.5 Ų52.560%0.59926%0.257SS*.Hα-helixtrans-64.5-34.7177-69.7-17.7000113.3K524 D530K524-N526 PolarHBondContact O-N 2.95Å; K524-N526 VanDerWaalsContact O-N 3.08Å; N526-D530 PolarHBondContact O-N 3.46Å
527N86.6Confident86.1Confident20 Ų2059.6 Ų59.611%0.10729%0.289CS..Hα-helixtrans-72-43.5174.6-68.1-24.3000110.3Y489 R493 E517 K524 I525 R529 D530 Y531Y489-N527 PolarHBondContact OH-ND2 3.27Å; R493-N527 PolarHBondContact NH1-ND2 3.44Å; R493-N527 PolarHBondContact NH2-OD1 2.92Å; E517-N527 HydrophobicContact CG-CB 4.28Å; E517-N527 PolarHBondContact OE1-ND2 2.73Å; E517-N527 WeakPolarHBondContact OE2-CB 3.41Å; E517-N527 PolarHBondContact OE2-ND2 2.87Å; K524-N527 HydrophobicContact CB-CB 4.32Å; K524-N527 WeakPolarHBondContact O-CB 3.44Å; K524-N527 PolarHBondContact O-N 2.97Å; I525-N527 VanDerWaalsContact C-N 3.33Å; I525-N527 PolarHBondContact O-N 3.16Å; N527-R529 VanDerWaalsContact C-N 3.32Å; N527-R529 PolarHBondContact O-N 3.45Å; N527-D530 PolarHBondContact O-N 3.07Å; N527-D530 VanDerWaalsContact O-N 3.17Å; N527-Y531 HydrophobicContact CB-CE2 3.92Å; N527-Y531 VanDerWaalsContact O-CD2 3.25Å; N527-Y531 WeakPolarHBondContact O-CD2 3.39Å; N527-Y531 PolarHBondContact O-N 3.34Å
528L86.5Confident86Confident6 Ų662.4 Ų62.43%0.03130%0.303CS..Hα-helixtrans-56.9-46.8176.5-71.4174.4000111.2I514 E517 K518 K524 I525 D530 Y531 Y532I514-L528 HydrophobicContact CG2-CD2 4.14Å; E517-L528 HydrophobicContact CB-CD2 3.66Å; E517-L528 HydrophobicContact CB-CG 4.38Å; E517-L528 HydrophobicContact CG-CD2 3.54Å; E517-L528 HydrophobicContact CG-CG 3.69Å; K518-L528 HydrophobicContact CG-CD1 4.36Å; K518-L528 HydrophobicContact CG-CD2 4.04Å; K524-L528 PolarHBondContact O-N 3.1Å; I525-L528 HydrophobicContact CD1-CD1 4.32Å; I525-L528 PolarHBondContact O-N 2.92Å; L528-D530 PolarHBondContact O-N 3.4Å; L528-Y531 PolarHBondContact O-N 3.36Å; L528-Y532 WeakPolarHBondContact O-CD2 3.48Å; L528-Y532 PolarHBondContact O-N 3.38Å
529R89Confident86Confident39 Ų3962 Ų6215%0.14730%0.301CS..Hα-helixtrans-54.1-50.3174.1-72.5166.5-178.3-176.7-8.5111.8I525 N527 Y531 Y532 E533 Y550 E554 N563I525-R529 VanDerWaalsContact O-CG 3.26Å; I525-R529 WeakPolarHBondContact O-CG 3.31Å; I525-R529 PolarHBondContact O-N 3.42Å; N527-R529 VanDerWaalsContact C-N 3.32Å; N527-R529 PolarHBondContact O-N 3.45Å; R529-Y531 VanDerWaalsContact C-N 3.32Å; R529-Y531 PolarHBondContact O-N 2.88Å; R529-Y532 PolarHBondContact O-N 3.18Å; R529-E533 WeakPolarHBondContact O-CB 3.2Å; R529-E533 WeakPolarHBondContact O-CG 3.35Å; R529-E533 PolarHBondContact O-N 3.49Å; R529-Y550 HydrophobicContact CG-CE2 4.06Å; R529-E554 VanDerWaalsContact CG-OE1 3.25Å; R529-E554 WeakPolarHBondContact CG-OE1 3.48Å; R529-E554 IonicContact CZ-OE1 2.55Å; R529-E554 IonicContact CZ-OE2 3.02Å; R529-E554 IonicContact NE-OE1 3.9Å; R529-E554 PolarHBondContact NE-OE1 3.19Å; R529-E554 IonicContact NE-OE2 2.85Å; R529-E554 IonicContact NH2-OE1 3.65Å; R529-E554 PolarHBondContact NH2-OE1 3.42Å; R529-E554 IonicContact NH2-OE2 2.8Å; R529-E554 PolarHBondContact NH2-OE2 3.43Å; R529-N563 PolarHBondContact NH2-ND2 2.86Å
530D88.3Confident85.9Confident69 Ų6956.9 Ų56.937%0.36928%0.278SS..Hα-helixtrans-59-42.7178.5-172.962.1000111.9N526 N527 L528 E533 R534N526-D530 PolarHBondContact O-N 3.46Å; N527-D530 PolarHBondContact O-N 3.07Å; N527-D530 VanDerWaalsContact O-N 3.17Å; L528-D530 PolarHBondContact O-N 3.4Å; D530-E533 PolarHBondContact O-N 3.34Å; D530-R534 WeakPolarHBondContact O-CB 3.29Å; D530-R534 WeakPolarHBondContact O-CD 3.21Å; D530-R534 VanDerWaalsContact O-CG 3.23Å; D530-R534 WeakPolarHBondContact O-CG 3.46Å; D530-R534 PolarHBondContact O-N 3.16Å; D530-R534 IonicContact OD1-NE 2.8Å; D530-R534 PolarHBondContact OD1-NE 3.38Å; D530-R534 IonicContact OD2-CZ 3.36Å; D530-R534 IonicContact OD2-NE 2.89Å; D530-R534 PolarHBondContact OD2-NE 2.91Å; D530-R534 IonicContact OD2-NH2 2.69Å
531Y89.7Confident85.9Confident6 Ų657.8 Ų57.82%0.02429%0.287CS..Hα-helixtrans-67.1-42.8178.9-56.4-29.1000112.9F496 M513 I514 E517 N527 L528 R529 A535F496-Y531 HydrophobicContact CD1-CD1 4.17Å; F496-Y531 AromaticContact CD1-CE1 3.73Å; F496-Y531 HydrophobicContact CD1-CE1 3.73Å; F496-Y531 AromaticContact CE1-CD1 3.39Å; F496-Y531 HydrophobicContact CE1-CD1 3.39Å; F496-Y531 AromaticContact CE1-CE1 3.39Å; F496-Y531 HydrophobicContact CE1-CE1 3.39Å; F496-Y531 HydrophobicContact CE1-CG 4.46Å; F496-Y531 AromaticContact CZ-CD1 3.73Å; F496-Y531 HydrophobicContact CZ-CD1 3.73Å; F496-Y531 HydrophobicContact CZ-CE1 4.15Å; F496-Y531 HydrophobicContact CZ-CG 4.46Å; M513-Y531 HydrophobicContact CE-CE2 3.75Å; M513-Y531 WeakPolarHBondContact CE-OH 3.32Å; M513-Y531 HydrophobicContact CG-CD1 4.41Å; M513-Y531 HydrophobicContact CG-CD2 3.95Å; M513-Y531 HydrophobicContact CG-CE1 4.25Å; M513-Y531 HydrophobicContact CG-CE2 3.76Å; M513-Y531 HydrophobicContact CG-CG 4.29Å; I514-Y531 HydrophobicContact CG1-CD2 4.5Å; E517-Y531 HydrophobicContact CB-CE2 4.18Å; E517-Y531 HydrophobicContact CG-CE2 4.29Å; N527-Y531 HydrophobicContact CB-CE2 3.92Å; N527-Y531 VanDerWaalsContact O-CD2 3.25Å; N527-Y531 WeakPolarHBondContact O-CD2 3.39Å; N527-Y531 PolarHBondContact O-N 3.34Å; L528-Y531 PolarHBondContact O-N 3.36Å; R529-Y531 VanDerWaalsContact C-N 3.32Å; R529-Y531 PolarHBondContact O-N 2.88Å; Y531-A535 WeakPolarHBondContact O-CB 3.31Å; Y531-A535 PolarHBondContact O-N 2.77Å
532Y88.2Confident86.2Confident0 Ų051.5 Ų51.50%027%0.268CS..Hα-helixtrans-64.4-46174.8-83.8-71000111.6I514 K518 L528 R529 R534 A535 L536 L546 Q549 Y550 E553I514-Y532 HydrophobicContact CD1-CD1 3.83Å; I514-Y532 HydrophobicContact CD1-CD2 4.21Å; I514-Y532 HydrophobicContact CD1-CE1 3.82Å; I514-Y532 HydrophobicContact CD1-CE2 4.16Å; I514-Y532 HydrophobicContact CD1-CG 4.04Å; I514-Y532 HydrophobicContact CG1-CE2 4.36Å; I514-Y532 HydrophobicContact CG2-CE1 4.47Å; I514-Y532 HydrophobicContact CG2-CE2 3.71Å; I514-Y532 WeakPolarHBondContact CG2-OH 3.37Å; K518-Y532 PolarHBondContact NZ-OH 3.04Å; L528-Y532 WeakPolarHBondContact O-CD2 3.48Å; L528-Y532 PolarHBondContact O-N 3.38Å; R529-Y532 PolarHBondContact O-N 3.18Å; Y532-R534 VanDerWaalsContact C-N 3.34Å; Y532-R534 PolarHBondContact O-N 2.9Å; Y532-A535 PolarHBondContact O-N 3.31Å; Y532-L536 VanDerWaalsContact O-CB 3.31Å; Y532-L536 WeakPolarHBondContact O-CB 3.39Å; Y532-L536 WeakPolarHBondContact O-CG 3.34Å; Y532-L536 PolarHBondContact O-N 2.71Å; Y532-L546 HydrophobicContact CD1-CD1 3.9Å; Y532-L546 HydrophobicContact CE1-CD1 4.01Å; Y532-Q549 HydrophobicContact CE1-CB 4.01Å; Y532-Y550 HydrophobicContact CD1-CD2 4.37Å; Y532-Y550 HydrophobicContact CD1-CG 4.12Å; Y532-Y550 AromaticContact CD2-CD2 3.73Å; Y532-Y550 HydrophobicContact CD2-CD2 3.73Å; Y532-Y550 HydrophobicContact CD2-CE2 4.32Å; Y532-Y550 HydrophobicContact CD2-CG 4.3Å; Y532-Y550 HydrophobicContact CE2-CD2 4.47Å; Y532-Y550 AromaticContact CG-CD2 3.68Å; Y532-Y550 HydrophobicContact CG-CD2 3.68Å; Y532-Y550 HydrophobicContact CG-CE2 4.35Å; Y532-Y550 AromaticContact CG-CG 3.81Å; Y532-Y550 HydrophobicContact CG-CG 3.81Å; Y532-E553 HydrophobicContact CE2-CB 4.43Å; Y532-E553 HydrophobicContact CE2-CG 3.79Å
533E89.9Confident86.5Confident54 Ų5447.3 Ų47.325%0.25224%0.242SC..Hα-helixtrans-61.3-41.9179.1-69.5-68.3168.400111.8R529 D530 L536 Q537 Y550 R570R529-E533 WeakPolarHBondContact O-CB 3.2Å; R529-E533 WeakPolarHBondContact O-CG 3.35Å; R529-E533 PolarHBondContact O-N 3.49Å; D530-E533 PolarHBondContact O-N 3.34Å; E533-L536 PolarHBondContact O-N 2.85Å; E533-Q537 WeakPolarHBondContact O-CB 3.44Å; E533-Q537 PolarHBondContact O-N 3.26Å; E533-Y550 HydrophobicContact CG-CE1 4.41Å; E533-Y550 VanDerWaalsContact OE1-CE1 3.3Å; E533-Y550 WeakPolarHBondContact OE1-CE1 3.46Å; E533-Y550 PolarHBondContact OE1-OH 2.97Å; E533-Y550 VanDerWaalsContact OE1-OH 3.07Å; E533-R570 IonicContact OE1-CZ 2.91Å; E533-R570 IonicContact OE1-NH1 2.8Å; E533-R570 PolarHBondContact OE1-NH1 3.1Å; E533-R570 IonicContact OE2-CZ 3.8Å; E533-R570 VanDerWaalsContact OE2-CZ 3.27Å; E533-R570 IonicContact OE2-NH1 3.66Å; E533-R570 PolarHBondContact OE2-NH1 3.34Å; E533-R570 IonicContact OE2-NH2 3.82Å; E533-R570 PolarHBondContact OE2-NH2 3.45Å
534R87.9Confident86.8Confident61 Ų6146.1 Ų46.123%0.2323%0.234CC..Hα-helixtrans-64.8-41.1175.1-72.8169.3177.7-88.9-0.4112.5E501 F510 D530 Y532 Q537E501-R534 IonicContact OE1-CZ 3.45Å; E501-R534 IonicContact OE1-NH1 2.72Å; E501-R534 PolarHBondContact OE1-NH1 3.22Å; F510-R534 HydrophobicContact CD1-CB 4.42Å; F510-R534 HydrophobicContact CE1-CB 3.91Å; D530-R534 WeakPolarHBondContact O-CB 3.29Å; D530-R534 WeakPolarHBondContact O-CD 3.21Å; D530-R534 VanDerWaalsContact O-CG 3.23Å; D530-R534 WeakPolarHBondContact O-CG 3.46Å; D530-R534 PolarHBondContact O-N 3.16Å; D530-R534 IonicContact OD1-NE 2.8Å; D530-R534 PolarHBondContact OD1-NE 3.38Å; D530-R534 IonicContact OD2-CZ 3.36Å; D530-R534 IonicContact OD2-NE 2.89Å; D530-R534 PolarHBondContact OD2-NE 2.91Å; D530-R534 IonicContact OD2-NH2 2.69Å; Y532-R534 VanDerWaalsContact C-N 3.34Å; Y532-R534 PolarHBondContact O-N 2.9Å; R534-Q537 PolarHBondContact O-N 2.99Å
535A88.4Confident87Confident1 Ų143.3 Ų43.31%0.00823%0.225CC..Hα-helixtrans-66.1-41.5176.200000111.5F510 Y531 Y532 Q537 E538 F539 L546F510-A535 HydrophobicContact CB-CB 3.76Å; F510-A535 HydrophobicContact CD1-CB 4.31Å; F510-A535 HydrophobicContact CD2-CB 4.41Å; F510-A535 HydrophobicContact CG-CB 3.93Å; Y531-A535 WeakPolarHBondContact O-CB 3.31Å; Y531-A535 PolarHBondContact O-N 2.77Å; Y532-A535 PolarHBondContact O-N 3.31Å; A535-Q537 VanDerWaalsContact C-N 3.34Å; A535-Q537 PolarHBondContact O-N 3.49Å; A535-E538 PolarHBondContact O-N 2.99Å; A535-F539 VanDerWaalsContact O-CD2 3.32Å; A535-F539 WeakPolarHBondContact O-CD2 3.42Å; A535-F539 PolarHBondContact O-N 3.38Å; A535-L546 HydrophobicContact CB-CD1 4.24Å; A535-L546 HydrophobicContact CB-CD2 3.69Å
536L89.4Confident87.2Confident8 Ų841.9 Ų41.94%0.04222%0.217CC..Hα-helixtrans-68.7-30.7179-72.2171.3000112.8Y532 E533 E538 G540 L546 W547 Y550Y532-L536 VanDerWaalsContact O-CB 3.31Å; Y532-L536 WeakPolarHBondContact O-CB 3.39Å; Y532-L536 WeakPolarHBondContact O-CG 3.34Å; Y532-L536 PolarHBondContact O-N 2.71Å; E533-L536 PolarHBondContact O-N 2.85Å; L536-E538 PolarHBondContact O-N 3.47Å; L536-G540 WeakPolarHBondContact O-CA 3.48Å; L536-G540 PolarHBondContact O-N 3.32Å; L536-L546 HydrophobicContact CD2-CB 4.12Å; L536-L546 HydrophobicContact CD2-CD2 3.7Å; L536-L546 HydrophobicContact CD2-CG 3.65Å; L536-L546 HydrophobicContact CG-CD2 4.08Å; L536-L546 HydrophobicContact CG-CG 4.13Å; L536-W547 HydrophobicContact CB-CH2 4.44Å; L536-W547 HydrophobicContact CB-CZ2 4.37Å; L536-W547 HydrophobicContact CD1-CD2 4.13Å; L536-W547 HydrophobicContact CD1-CE3 3.73Å; L536-W547 HydrophobicContact CD1-CH2 4.07Å; L536-W547 HydrophobicContact CD1-CZ2 4.46Å; L536-W547 HydrophobicContact CD1-CZ3 3.7Å; L536-W547 HydrophobicContact CD2-CD2 3.49Å; L536-W547 VanDerWaalsContact CD2-CD2 3.49Å; L536-W547 VanDerWaalsContact CD2-CE2 3.48Å; L536-W547 HydrophobicContact CD2-CE3 3.99Å; L536-W547 HydrophobicContact CD2-CG 3.76Å; L536-W547 HydrophobicContact CD2-CH2 4.38Å; L536-W547 HydrophobicContact CD2-CZ2 3.94Å; L536-W547 HydrophobicContact CD2-CZ3 4.41Å; L536-W547 HydrophobicContact CG-CD2 4.42Å; L536-W547 HydrophobicContact CG-CE3 4.48Å; L536-W547 HydrophobicContact CG-CZ2 4.5Å; L536-Y550 HydrophobicContact CD1-CD1 3.58Å; L536-Y550 HydrophobicContact CD1-CE1 4.11Å; L536-Y550 HydrophobicContact CD1-CG 4.48Å
537Q87.9Confident87.3Confident157 Ų15736.6 Ų36.673%0.73419%0.189SC*.Hα-helixtrans-59.9-34.7174.3-176174.8-3.900112.3E533 R534 A535E533-Q537 WeakPolarHBondContact O-CB 3.44Å; E533-Q537 PolarHBondContact O-N 3.26Å; R534-Q537 PolarHBondContact O-N 2.99Å; A535-Q537 VanDerWaalsContact C-N 3.34Å; A535-Q537 PolarHBondContact O-N 3.49Å
538E85.8Confident87.4Confident62 Ų6236.1 Ų36.129%0.2919%0.186SC..Hα-helixtrans-97.9-37.5-177-64.1-68.9145.300113.2R503 L505 A535 L536R503-E538 IonicContact CZ-OE1 3.93Å; R503-E538 IonicContact CZ-OE2 2.59Å; R503-E538 IonicContact NH1-OE1 3.35Å; R503-E538 IonicContact NH1-OE2 3.69Å; R503-E538 PolarHBondContact NH1-OE2 3.19Å; R503-E538 IonicContact NH2-OE1 3.62Å; R503-E538 PolarHBondContact NH2-OE1 3.46Å; R503-E538 IonicContact NH2-OE2 2.64Å; R503-E538 PolarHBondContact NH2-OE2 2.96Å; L505-E538 HydrophobicContact CD1-CG 3.7Å; A535-E538 PolarHBondContact O-N 2.99Å; L536-E538 PolarHBondContact O-N 3.47Å
539F87.4Confident87.5Confident49 Ų4939.2 Ų39.222%0.21520%0.201CC..Hα-helixtrans-113.7-4.3-172.1-54.4-68.8000114L505 S506 K507 F510 A535 T541 A542 D543 L546L505-F539 HydrophobicContact CB-CZ 4.28Å; S506-F539 VanDerWaalsContact C-CZ 3.5Å; K507-F539 HydrophobicContact CB-CD2 4.28Å; K507-F539 HydrophobicContact CB-CE2 4.32Å; K507-F539 HydrophobicContact CB-CG 4.45Å; F510-F539 AromaticContact CD2-CE2 3.89Å; F510-F539 HydrophobicContact CD2-CE2 3.89Å; F510-F539 HydrophobicContact CE2-CE2 4.02Å; A535-F539 VanDerWaalsContact O-CD2 3.32Å; A535-F539 WeakPolarHBondContact O-CD2 3.42Å; A535-F539 PolarHBondContact O-N 3.38Å; F539-T541 PolarHBondContact O-N 3.33Å; F539-T541 VanDerWaalsContact O-N 3.13Å; F539-A542 PolarHBondContact O-N 3.37Å; F539-D543 HydrophobicContact CB-CB 4.44Å; F539-D543 WeakPolarHBondContact O-CB 3.27Å; F539-D543 PolarHBondContact O-N 2.98Å; F539-L546 HydrophobicContact CB-CD2 4.31Å
540G84Confident87.5Confident2 Ų237.9 Ų37.92%0.02120%0.195CC..THydrogen-bonded Turntrans-70.4-7.4-17100000116L536 W547 L575L536-G540 WeakPolarHBondContact O-CA 3.48Å; L536-G540 PolarHBondContact O-N 3.32Å; G540-W547 PolarHBondContact O-NE1 2.76Å; G540-L575 WeakPolarHBondContact O-CD2 3.31Å
541T85.5Confident87.4Confident68 Ų6834.6 Ų34.642%0.41718%0.178SC..THydrogen-bonded Turntrans-80.4-28.2176.4550000113.3F539 F574 L575 E576F539-T541 PolarHBondContact O-N 3.33Å; F539-T541 VanDerWaalsContact O-N 3.13Å; T541-F574 WeakPolarHBondContact CA-O 3.12Å; T541-L575 WeakPolarHBondContact O-CA 3.49Å; T541-E576 PolarHBondContact O-N 3.35Å
542A82.9Confident87.3Confident65 Ų6537.9 Ų37.954%0.53719%0.193SC..THydrogen-bonded Turntrans-117.3-16.3-174.900000113.9F539 S579F539-A542 PolarHBondContact O-N 3.37Å; A542-S579 PolarHBondContact O-OG 2.91Å
543D84.7Confident87.2Confident23 Ų2340.3 Ų40.312%0.12321%0.205CC..  trans-105.390.6-167.4-161.4-30.8000113K507 F539 D545 L546 W547K507-D543 WeakPolarHBondContact CD-OD2 3.37Å; K507-D543 WeakPolarHBondContact CE-OD2 3.36Å; K507-D543 IonicContact NZ-OD1 2.83Å; K507-D543 PolarHBondContact NZ-OD1 3.45Å; K507-D543 IonicContact NZ-OD2 3.28Å; K507-D543 PolarHBondContact NZ-OD2 3.36Å; F539-D543 HydrophobicContact CB-CB 4.44Å; F539-D543 WeakPolarHBondContact O-CB 3.27Å; F539-D543 PolarHBondContact O-N 2.98Å; D543-D545 VanDerWaalsContact C-N 3.33Å; D543-D545 PolarHBondContact OD1-N 3.33Å; D543-L546 HydrophobicContact CB-CB 4.14Å; D543-L546 PolarHBondContact OD1-N 3.4Å; D543-W547 VanDerWaalsContact O-CD1 3.26Å
544D86.8Confident87Confident11 Ų1137.8 Ų37.86%0.05919%0.193CC..Hα-helixtrans-67.3-32.6178.757.8-67.1000113.2L546 W547 L548 L575 F583 K586D544-L546 PolarHBondContact O-N 3.03Å; D544-W547 PolarHBondContact O-N 3.34Å; D544-L548 WeakPolarHBondContact O-CG 3.14Å; D544-L548 PolarHBondContact O-N 3.46Å; D544-L548 VanDerWaalsContact O-N 3.14Å; D544-L575 HydrophobicContact CB-CD1 4.25Å; D544-F583 HydrophobicContact CB-CB 3.8Å; D544-F583 HydrophobicContact CB-CD2 4.36Å; D544-K586 IonicContact OD2-NZ 3.85Å; D544-K586 PolarHBondContact OD2-NZ 2.92Å
545D87.2Confident86.7Confident66 Ų6639.9 Ų39.935%0.35321%0.207SC..Hα-helixtrans-65.7-38.6-179.9-72.9-39.5000112D543 W547 L548 Q549 K586D543-D545 VanDerWaalsContact C-N 3.33Å; D543-D545 PolarHBondContact OD1-N 3.33Å; D545-W547 VanDerWaalsContact C-N 3.33Å; D545-W547 PolarHBondContact O-N 2.99Å; D545-L548 PolarHBondContact O-N 2.98Å; D545-Q549 WeakPolarHBondContact O-CB 3.4Å; D545-Q549 VanDerWaalsContact O-CG 3.24Å; D545-Q549 WeakPolarHBondContact O-CG 3.35Å; D545-Q549 PolarHBondContact O-N 3.41Å; D545-K586 IonicContact OD1-NZ 3.92Å; D545-K586 PolarHBondContact OD1-NZ 2.7Å; D545-K586 IonicContact OD2-NZ 3.87Å
546L88.8Confident86.4Confident0 Ų041.5 Ų41.50%022%0.224CC..Hα-helixtrans-63.6-39.1178.9-173.762.3000112Y532 A535 L536 F539 D543 D544 Y550Y532-L546 HydrophobicContact CD1-CD1 3.9Å; Y532-L546 HydrophobicContact CE1-CD1 4.01Å; A535-L546 HydrophobicContact CB-CD1 4.24Å; A535-L546 HydrophobicContact CB-CD2 3.69Å; L536-L546 HydrophobicContact CD2-CB 4.12Å; L536-L546 HydrophobicContact CD2-CD2 3.7Å; L536-L546 HydrophobicContact CD2-CG 3.65Å; L536-L546 HydrophobicContact CG-CD2 4.08Å; L536-L546 HydrophobicContact CG-CG 4.13Å; F539-L546 HydrophobicContact CB-CD2 4.31Å; D543-L546 HydrophobicContact CB-CB 4.14Å; D543-L546 PolarHBondContact OD1-N 3.4Å; D544-L546 PolarHBondContact O-N 3.03Å; L546-Y550 PolarHBondContact O-N 3.02Å; L546-Y550 VanDerWaalsContact O-N 3.16Å
547W89.4Confident85.6Confident2 Ų246.6 Ų46.61%0.00827%0.267CS..Hα-helixtrans-66.4-42.7174.1-73.1104000112.3L536 G540 D543 D544 D545 Y550 I551 I567 R570 A571 F574 F583L536-W547 HydrophobicContact CB-CH2 4.44Å; L536-W547 HydrophobicContact CB-CZ2 4.37Å; L536-W547 HydrophobicContact CD1-CD2 4.13Å; L536-W547 HydrophobicContact CD1-CE3 3.73Å; L536-W547 HydrophobicContact CD1-CH2 4.07Å; L536-W547 HydrophobicContact CD1-CZ2 4.46Å; L536-W547 HydrophobicContact CD1-CZ3 3.7Å; L536-W547 HydrophobicContact CD2-CD2 3.49Å; L536-W547 VanDerWaalsContact CD2-CD2 3.49Å; L536-W547 VanDerWaalsContact CD2-CE2 3.48Å; L536-W547 HydrophobicContact CD2-CE3 3.99Å; L536-W547 HydrophobicContact CD2-CG 3.76Å; L536-W547 HydrophobicContact CD2-CH2 4.38Å; L536-W547 HydrophobicContact CD2-CZ2 3.94Å; L536-W547 HydrophobicContact CD2-CZ3 4.41Å; L536-W547 HydrophobicContact CG-CD2 4.42Å; L536-W547 HydrophobicContact CG-CE3 4.48Å; L536-W547 HydrophobicContact CG-CZ2 4.5Å; G540-W547 PolarHBondContact O-NE1 2.76Å; D543-W547 VanDerWaalsContact O-CD1 3.26Å; D544-W547 PolarHBondContact O-N 3.34Å; D545-W547 VanDerWaalsContact C-N 3.33Å; D545-W547 PolarHBondContact O-N 2.99Å; W547-Y550 PolarHBondContact O-N 3.32Å; W547-I551 WeakPolarHBondContact O-CG1 3.43Å; W547-I551 PolarHBondContact O-N 3.47Å; W547-I551 VanDerWaalsContact O-N 3.11Å; W547-I567 HydrophobicContact CE3-CG2 3.71Å; W547-I567 HydrophobicContact CZ3-CG2 4.04Å; W547-R570 HydrophobicContact CH2-CB 3.81Å; W547-R570 HydrophobicContact CZ3-CB 3.79Å; W547-A571 HydrophobicContact CB-CB 3.87Å; W547-A571 HydrophobicContact CD2-CB 3.5Å; W547-A571 HydrophobicContact CE3-CB 3.71Å; W547-A571 HydrophobicContact CG-CB 3.6Å; W547-A571 HydrophobicContact CZ3-CB 4.45Å; W547-F574 HydrophobicContact CZ2-CB 3.89Å; W547-F574 HydrophobicContact CZ2-CG 4.36Å; W547-F583 HydrophobicContact CB-CD2 4.11Å; W547-F583 HydrophobicContact CB-CE2 3.65Å; W547-F583 HydrophobicContact CB-CZ 4.48Å
548L87.4Confident84.9Confident10 Ų1044.1 Ų44.15%0.05226%0.258CS..Hα-helixtrans-65.5-44.7178.9-73.4163.3000112.1D544 D545 Y550 I551 Q552 F583 K586 Y587D544-L548 WeakPolarHBondContact O-CG 3.14Å; D544-L548 PolarHBondContact O-N 3.46Å; D544-L548 VanDerWaalsContact O-N 3.14Å; D545-L548 PolarHBondContact O-N 2.98Å; L548-Y550 VanDerWaalsContact C-N 3.27Å; L548-Y550 PolarHBondContact O-N 3.21Å; L548-I551 PolarHBondContact O-N 2.8Å; L548-I551 VanDerWaalsContact O-N 3.15Å; L548-Q552 WeakPolarHBondContact O-CG 3.46Å; L548-Q552 PolarHBondContact O-N 2.68Å; L548-F583 HydrophobicContact CD1-CD2 4.23Å; L548-F583 HydrophobicContact CD2-CD2 3.96Å; L548-F583 HydrophobicContact CD2-CE2 3.7Å; L548-F583 HydrophobicContact CD2-CZ 4.49Å; L548-F583 HydrophobicContact CG-CD2 3.7Å; L548-F583 HydrophobicContact CG-CE2 3.7Å; L548-K586 HydrophobicContact CD1-CB 3.37Å; L548-K586 HydrophobicContact CD1-CD 3.38Å; L548-K586 HydrophobicContact CD1-CG 4.02Å; L548-K586 HydrophobicContact CD2-CB 4.28Å; L548-K586 HydrophobicContact CG-CB 4.47Å; L548-Y587 HydrophobicContact CD2-CD2 4.21Å
549Q88.3Confident84.7Confident71 Ų7141.9 Ų41.933%0.33225%0.252SS..Hα-helixtrans-57.8-43175.6-73.5173.79.400110.6Y532 D545 I551 Q552 E553Y532-Q549 HydrophobicContact CE1-CB 4.01Å; D545-Q549 WeakPolarHBondContact O-CB 3.4Å; D545-Q549 VanDerWaalsContact O-CG 3.24Å; D545-Q549 WeakPolarHBondContact O-CG 3.35Å; D545-Q549 PolarHBondContact O-N 3.41Å; Q549-I551 VanDerWaalsContact C-N 3.34Å; Q549-I551 PolarHBondContact O-N 3.44Å; Q549-Q552 PolarHBondContact O-N 3.25Å; Q549-E553 WeakPolarHBondContact O-CG 3.23Å; Q549-E553 PolarHBondContact O-N 3.43Å
550Y89.3Confident84.5Confident10 Ų1044.2 Ų44.24%0.03926%0.263CS..Hα-helixtrans-62.9-40.1177.5-172.9-158000112.6R529 Y532 E533 L536 L546 W547 L548 E553 E554 I567R529-Y550 HydrophobicContact CG-CE2 4.06Å; Y532-Y550 HydrophobicContact CD1-CD2 4.37Å; Y532-Y550 HydrophobicContact CD1-CG 4.12Å; Y532-Y550 AromaticContact CD2-CD2 3.73Å; Y532-Y550 HydrophobicContact CD2-CD2 3.73Å; Y532-Y550 HydrophobicContact CD2-CE2 4.32Å; Y532-Y550 HydrophobicContact CD2-CG 4.3Å; Y532-Y550 HydrophobicContact CE2-CD2 4.47Å; Y532-Y550 AromaticContact CG-CD2 3.68Å; Y532-Y550 HydrophobicContact CG-CD2 3.68Å; Y532-Y550 HydrophobicContact CG-CE2 4.35Å; Y532-Y550 AromaticContact CG-CG 3.81Å; Y532-Y550 HydrophobicContact CG-CG 3.81Å; E533-Y550 HydrophobicContact CG-CE1 4.41Å; E533-Y550 VanDerWaalsContact OE1-CE1 3.3Å; E533-Y550 WeakPolarHBondContact OE1-CE1 3.46Å; E533-Y550 PolarHBondContact OE1-OH 2.97Å; E533-Y550 VanDerWaalsContact OE1-OH 3.07Å; L536-Y550 HydrophobicContact CD1-CD1 3.58Å; L536-Y550 HydrophobicContact CD1-CE1 4.11Å; L536-Y550 HydrophobicContact CD1-CG 4.48Å; L546-Y550 PolarHBondContact O-N 3.02Å; L546-Y550 VanDerWaalsContact O-N 3.16Å; W547-Y550 PolarHBondContact O-N 3.32Å; L548-Y550 VanDerWaalsContact C-N 3.27Å; L548-Y550 PolarHBondContact O-N 3.21Å; Y550-E553 PolarHBondContact O-N 2.92Å; Y550-E554 HydrophobicContact CD2-CG 4.34Å; Y550-E554 HydrophobicContact CE2-CG 4.08Å; Y550-E554 PolarHBondContact O-N 3.24Å; Y550-E554 VanDerWaalsContact O-N 3.15Å; Y550-I567 HydrophobicContact CD1-CD1 3.74Å; Y550-I567 HydrophobicContact CD1-CG1 4.06Å; Y550-I567 HydrophobicContact CD1-CG2 3.71Å; Y550-I567 HydrophobicContact CD2-CD1 4.25Å; Y550-I567 HydrophobicContact CE1-CD1 3.54Å; Y550-I567 HydrophobicContact CE1-CG1 3.8Å; Y550-I567 HydrophobicContact CE1-CG2 4.26Å; Y550-I567 HydrophobicContact CE2-CD1 4.05Å; Y550-I567 HydrophobicContact CG-CD1 4.11Å; Y550-I567 HydrophobicContact CG-CG2 4.41Å
551I86.9Confident84.3Confident0 Ų048.6 Ų48.60%029%0.291CS..Hα-helixtrans-65.4-41.8175.7-64.6166.6000111.3W547 L548 Q549 E553 E554 M555 C564 I567 H568 F583 Y587 L590W547-I551 WeakPolarHBondContact O-CG1 3.43Å; W547-I551 PolarHBondContact O-N 3.47Å; W547-I551 VanDerWaalsContact O-N 3.11Å; L548-I551 PolarHBondContact O-N 2.8Å; L548-I551 VanDerWaalsContact O-N 3.15Å; Q549-I551 VanDerWaalsContact C-N 3.34Å; Q549-I551 PolarHBondContact O-N 3.44Å; I551-E553 VanDerWaalsContact C-N 3.28Å; I551-E553 PolarHBondContact O-N 2.81Å; I551-E554 PolarHBondContact O-N 2.6Å; I551-M555 HydrophobicContact CG2-CG 4.32Å; I551-M555 HydrophobicContact CG2-SD 4.09Å; I551-M555 WeakPolarHBondContact O-CG 3.49Å; I551-M555 PolarHBondContact O-N 3.46Å; I551-C564 HydrophobicContact CG2-CB 4.07Å; I551-I567 HydrophobicContact CD1-CG2 4.13Å; I551-I567 HydrophobicContact CG1-CB 3.99Å; I551-I567 HydrophobicContact CG1-CG2 3.55Å; I551-H568 HydrophobicContact CD1-CB 4.17Å; I551-F583 HydrophobicContact CD1-CE2 4.2Å; I551-F583 HydrophobicContact CD1-CZ 3.84Å; I551-Y587 HydrophobicContact CD1-CD2 4.04Å; I551-Y587 HydrophobicContact CD1-CE2 3.9Å; I551-Y587 HydrophobicContact CG2-CE2 4.09Å; I551-L590 HydrophobicContact CG2-CD2 4.4Å
552Q86.5Confident84.2Confident75 Ų7553 Ų5335%0.3531%0.307SS..Hα-helixtrans-59.1-40.1176.5-73.9175.3-21.900111.9L548 Q549 M555 G556 L590L548-Q552 WeakPolarHBondContact O-CG 3.46Å; L548-Q552 PolarHBondContact O-N 2.68Å; Q549-Q552 PolarHBondContact O-N 3.25Å; Q552-M555 PolarHBondContact O-N 3.45Å; Q552-G556 PolarHBondContact O-N 2.74Å; Q552-L590 HydrophobicContact CG-CD1 3.91Å; Q552-L590 HydrophobicContact CG-CD2 3.83Å
553E86.9Confident84.3Confident52 Ų5251.5 Ų51.524%0.24329%0.29CS..Hα-helixtrans-66.1-38.2175.8-64.8-52.2138.400112.8K518 Y532 Q549 Y550 I551 M555 G556K518-E553 WeakPolarHBondContact CE-OE1 3.41Å; K518-E553 WeakPolarHBondContact CE-OE2 3.22Å; K518-E553 IonicContact NZ-OE1 2.69Å; K518-E553 PolarHBondContact NZ-OE1 3.01Å; K518-E553 IonicContact NZ-OE2 3.53Å; Y532-E553 HydrophobicContact CE2-CB 4.43Å; Y532-E553 HydrophobicContact CE2-CG 3.79Å; Q549-E553 WeakPolarHBondContact O-CG 3.23Å; Q549-E553 PolarHBondContact O-N 3.43Å; Y550-E553 PolarHBondContact O-N 2.92Å; I551-E553 VanDerWaalsContact C-N 3.28Å; I551-E553 PolarHBondContact O-N 2.81Å; E553-M555 VanDerWaalsContact C-N 3.31Å; E553-M555 PolarHBondContact O-N 2.93Å; E553-G556 PolarHBondContact O-N 2.87Å
554E85.9Confident84.2Confident0 Ų051 Ų510%029%0.288CS..Hα-helixtrans-73-22.4175.7-71.8-65.1153.500113.4R529 Y550 I551 G559 Q560 N563 C564 I567R529-E554 VanDerWaalsContact CG-OE1 3.25Å; R529-E554 WeakPolarHBondContact CG-OE1 3.48Å; R529-E554 IonicContact CZ-OE1 2.55Å; R529-E554 IonicContact CZ-OE2 3.02Å; R529-E554 IonicContact NE-OE1 3.9Å; R529-E554 PolarHBondContact NE-OE1 3.19Å; R529-E554 IonicContact NE-OE2 2.85Å; R529-E554 IonicContact NH2-OE1 3.65Å; R529-E554 PolarHBondContact NH2-OE1 3.42Å; R529-E554 IonicContact NH2-OE2 2.8Å; R529-E554 PolarHBondContact NH2-OE2 3.43Å; Y550-E554 HydrophobicContact CD2-CG 4.34Å; Y550-E554 HydrophobicContact CE2-CG 4.08Å; Y550-E554 PolarHBondContact O-N 3.24Å; Y550-E554 VanDerWaalsContact O-N 3.15Å; I551-E554 PolarHBondContact O-N 2.6Å; E554-G559 CarbonylContact O-C 3.57Å; E554-G559 WeakPolarHBondContact O-CA 3.42Å; E554-Q560 CarbonylContact O-C 3.6Å; E554-Q560 PolarHBondContact O-N 2.74Å; E554-Q560 PolarHBondContact OE2-N 3.46Å; E554-N563 HydrophobicContact CG-CB 4.35Å; E554-N563 PolarHBondContact OE2-ND2 3.02Å; E554-C564 VanDerWaalsContact CB-SG 3.56Å; E554-I567 HydrophobicContact CB-CD1 4.49Å; E554-I567 HydrophobicContact CG-CD1 3.72Å
555M81.8Confident84.1Confident105 Ų10553.7 Ų53.752%0.51731%0.312SS..Hα-helixtrans-79.6-16.7171.1-72.3-178.555.400113.2I551 Q552 E553 C564 L590I551-M555 HydrophobicContact CG2-CG 4.32Å; I551-M555 HydrophobicContact CG2-SD 4.09Å; I551-M555 WeakPolarHBondContact O-CG 3.49Å; I551-M555 PolarHBondContact O-N 3.46Å; Q552-M555 PolarHBondContact O-N 3.45Å; E553-M555 VanDerWaalsContact C-N 3.31Å; E553-M555 PolarHBondContact O-N 2.93Å; M555-C564 VanDerWaalsContact CG-SG 3.58Å; M555-L590 HydrophobicContact SD-CD2 4.15Å; M555-L590 HydrophobicContact SD-CG 4.49Å
556G80.8Confident84.1Confident36 Ų3656.8 Ų56.837%0.37132%0.322SS..SBendtrans-71.6174.3-179.600000114.1Q552 E553 L558 G559Q552-G556 PolarHBondContact O-N 2.74Å; E553-G556 PolarHBondContact O-N 2.87Å; G556-L558 PolarHBondContact O-N 3.08Å; G556-L558 VanDerWaalsContact O-N 3.07Å; G556-G559 PolarHBondContact O-N 3.03Å
557A73.3Confident84.1Confident114 Ų11457 Ų5794%0.94232%0.324SS*.THydrogen-bonded Turntrans-61.5-21.1-172.800000115.3
558L74.5Confident84Confident105 Ų10559.1 Ų59.155%0.5533%0.334SS..THydrogen-bonded Turntrans-104.4-3.9-179.9-63171.7000112.9P523 I525 G556P523-L558 HydrophobicContact CB-CD1 4.18Å; P523-L558 HydrophobicContact CG-CD1 4.26Å; I525-L558 WeakPolarHBondContact CG1-O 3.23Å; G556-L558 PolarHBondContact O-N 3.08Å; G556-L558 VanDerWaalsContact O-N 3.07Å
559G80.1Confident84Confident15 Ų1566.4 Ų66.416%0.15536%0.36CS..SBendtrans-88.5176.1-175.800000114E554 G556E554-G559 CarbonylContact O-C 3.57Å; E554-G559 WeakPolarHBondContact O-CA 3.42Å; G556-G559 PolarHBondContact O-N 3.03Å
560Q84Confident84.1Confident98 Ų9866.7 Ų66.746%0.45836%0.358SS..  trans-118.2108.3172.2-73172.4-30.100109.8E554 E562 N563E554-Q560 CarbonylContact O-C 3.6Å; E554-Q560 PolarHBondContact O-N 2.74Å; E554-Q560 PolarHBondContact OE2-N 3.46Å; Q560-E562 PolarHBondContact O-N 2.99Å; Q560-N563 WeakPolarHBondContact O-CB 3.45Å; Q560-N563 PolarHBondContact O-N 3.19Å; Q560-N563 PolarHBondContact OE1-ND2 3.1Å
561P80.5Confident84Confident94 Ų9466.2 Ų66.261%0.6136%0.356SS*.Hα-helixtrans-55.8-27.7-179.2-28.535.4000114.1N563 C564P561-N563 PolarHBondContact O-N 2.81Å; P561-C564 VanDerWaalsContact O-CB 3.27Å; P561-C564 WeakPolarHBondContact O-CB 3.33Å; P561-C564 PolarHBondContact O-N 3.39Å; P561-C564 VanDerWaalsContact O-N 3.11Å
562E82Confident83.9Confident160 Ų16069.9 Ų69.975%0.74837%0.374SS*.Hα-helixtrans-60-27.2176-62.5-178.6-176.900113.5Q560Q560-E562 PolarHBondContact O-N 2.99Å
563N84.8Confident83.9Confident35 Ų3573 Ų7319%0.18739%0.387CS..Hα-helixtrans-80-22.5178.7-67-31000112.3R529 E554 Q560 P561 A565 K566 I567R529-N563 PolarHBondContact NH2-ND2 2.86Å; E554-N563 HydrophobicContact CG-CB 4.35Å; E554-N563 PolarHBondContact OE2-ND2 3.02Å; Q560-N563 WeakPolarHBondContact O-CB 3.45Å; Q560-N563 PolarHBondContact O-N 3.19Å; Q560-N563 PolarHBondContact OE1-ND2 3.1Å; P561-N563 PolarHBondContact O-N 2.81Å; N563-A565 VanDerWaalsContact C-N 3.32Å; N563-A565 PolarHBondContact O-N 2.99Å; N563-K566 WeakPolarHBondContact O-CB 3.44Å; N563-K566 PolarHBondContact O-N 3.43Å; N563-K566 VanDerWaalsContact O-N 3.08Å; N563-I567 HydrophobicContact CB-CD1 4.27Å; N563-I567 VanDerWaalsContact O-CG1 3.29Å; N563-I567 WeakPolarHBondContact O-CG1 3.44Å; N563-I567 PolarHBondContact O-N 3.46Å
564C84.3Confident83.9Confident11 Ų1175.4 Ų75.47%0.07440%0.397CS..Hα-helixtrans-58.6-43.4-177.5-64.20000112I551 E554 M555 P561 K566 I567 H568I551-C564 HydrophobicContact CG2-CB 4.07Å; E554-C564 VanDerWaalsContact CB-SG 3.56Å; M555-C564 VanDerWaalsContact CG-SG 3.58Å; P561-C564 VanDerWaalsContact O-CB 3.27Å; P561-C564 WeakPolarHBondContact O-CB 3.33Å; P561-C564 PolarHBondContact O-N 3.39Å; P561-C564 VanDerWaalsContact O-N 3.11Å; C564-K566 VanDerWaalsContact C-N 3.33Å; C564-K566 PolarHBondContact O-N 3.27Å; C564-I567 PolarHBondContact O-N 3.26Å; C564-H568 WeakPolarHBondContact O-CB 3.44Å; C564-H568 PolarHBondContact O-N 2.92Å
565A83.5Confident84Confident68 Ų6875.8 Ų75.856%0.56240%0.399SS*.Hα-helixtrans-64.8-37.7177.900000112.3N563 W569N563-A565 VanDerWaalsContact C-N 3.32Å; N563-A565 PolarHBondContact O-N 2.99Å; A565-W569 WeakPolarHBondContact O-CB 3.17Å; A565-W569 PolarHBondContact O-N 2.9Å
566K87.9Confident84.3Confident131 Ų13177.4 Ų77.457%0.5741%0.405SS*.Hα-helixtrans-68.2-42.2177.2-62.9176.2-175.21650111.2N563 C564 W569 R570N563-K566 WeakPolarHBondContact O-CB 3.44Å; N563-K566 PolarHBondContact O-N 3.43Å; N563-K566 VanDerWaalsContact O-N 3.08Å; C564-K566 VanDerWaalsContact C-N 3.33Å; C564-K566 PolarHBondContact O-N 3.27Å; K566-W569 PolarHBondContact O-N 3.13Å; K566-R570 WeakPolarHBondContact O-CG 3.44Å; K566-R570 PolarHBondContact O-N 3.03Å
567I87.6Confident84.5Confident5 Ų578.6 Ų78.63%0.02642%0.418CS..Hα-helixtrans-67.1-44.9178.4-63.2162.9000110.3W547 Y550 I551 E554 N563 C564 W569 R570 A571W547-I567 HydrophobicContact CE3-CG2 3.71Å; W547-I567 HydrophobicContact CZ3-CG2 4.04Å; Y550-I567 HydrophobicContact CD1-CD1 3.74Å; Y550-I567 HydrophobicContact CD1-CG1 4.06Å; Y550-I567 HydrophobicContact CD1-CG2 3.71Å; Y550-I567 HydrophobicContact CD2-CD1 4.25Å; Y550-I567 HydrophobicContact CE1-CD1 3.54Å; Y550-I567 HydrophobicContact CE1-CG1 3.8Å; Y550-I567 HydrophobicContact CE1-CG2 4.26Å; Y550-I567 HydrophobicContact CE2-CD1 4.05Å; Y550-I567 HydrophobicContact CG-CD1 4.11Å; Y550-I567 HydrophobicContact CG-CG2 4.41Å; I551-I567 HydrophobicContact CD1-CG2 4.13Å; I551-I567 HydrophobicContact CG1-CB 3.99Å; I551-I567 HydrophobicContact CG1-CG2 3.55Å; E554-I567 HydrophobicContact CB-CD1 4.49Å; E554-I567 HydrophobicContact CG-CD1 3.72Å; N563-I567 HydrophobicContact CB-CD1 4.27Å; N563-I567 VanDerWaalsContact O-CG1 3.29Å; N563-I567 WeakPolarHBondContact O-CG1 3.44Å; N563-I567 PolarHBondContact O-N 3.46Å; C564-I567 PolarHBondContact O-N 3.26Å; I567-W569 PolarHBondContact O-N 2.99Å; I567-R570 PolarHBondContact O-N 2.66Å; I567-R570 VanDerWaalsContact O-N 3.16Å; I567-A571 PolarHBondContact O-N 3.12Å
568H87Confident85.1Confident47 Ų4779.3 Ų79.322%0.21840%0.402CS..Hα-helixtrans-57.5-46.7174.9174.1-91.4000112.2I551 C564 R570 A571 M572 F583 Y587I551-H568 HydrophobicContact CD1-CB 4.17Å; C564-H568 WeakPolarHBondContact O-CB 3.44Å; C564-H568 PolarHBondContact O-N 2.92Å; H568-R570 VanDerWaalsContact C-N 3.3Å; H568-R570 PolarHBondContact O-N 3.34Å; H568-A571 PolarHBondContact O-N 3.02Å; H568-M572 WeakPolarHBondContact O-CG 3.35Å; H568-M572 PolarHBondContact O-N 3.35Å; H568-F583 AromaticContact CD2-CE1 3.5Å; H568-F583 AromaticContact CD2-CZ 3.85Å; H568-F583 AromaticContact NE2-CE1 3.91Å; H568-Y587 HydrophobicContact CB-CE2 4.41Å; H568-Y587 AromaticContact CD2-CD1 3.24Å; H568-Y587 WeakPolarHBondContact CD2-CD1 3.45Å; H568-Y587 AromaticContact CD2-CD2 3.86Å; H568-Y587 AromaticContact CD2-CE1 3.18Å; H568-Y587 WeakPolarHBondContact CD2-CE1 3.5Å; H568-Y587 AromaticContact CD2-CE2 3.84Å; H568-Y587 AromaticContact CD2-CG 3.58Å; H568-Y587 AromaticContact CD2-CZ 3.51Å; H568-Y587 AromaticContact CG-CE1 3.84Å; H568-Y587 AromaticContact CG-CZ 3.89Å; H568-Y587 AromaticContact NE2-CD1 3.33Å; H568-Y587 VanDerWaalsContact NE2-CD1 3.33Å; H568-Y587 WeakPolarHBondContact NE2-CD1 3.4Å; H568-Y587 AromaticContact NE2-CE1 3.46Å; H568-Y587 WeakPolarHBondContact NE2-CE1 3.43Å; H568-Y587 AromaticContact NE2-CG 4Å
569W88.1Confident85.5Confident162 Ų16275.2 Ų75.261%0.61438%0.382SS*.Hα-helixtrans-61.6-39.2177-177.984.8000112.3A565 K566 I567 K573A565-W569 WeakPolarHBondContact O-CB 3.17Å; A565-W569 PolarHBondContact O-N 2.9Å; K566-W569 PolarHBondContact O-N 3.13Å; I567-W569 PolarHBondContact O-N 2.99Å; W569-K573 HydrophobicContact CH2-CD 3.84Å; W569-K573 HydrophobicContact CZ2-CD 4.29Å; W569-K573 HydrophobicContact CZ3-CD 4.17Å; W569-K573 PolarHBondContact O-N 3.13Å
570R90.1Very high85.8Confident77 Ų7776.2 Ų76.229%0.29139%0.385SS..Hα-helixtrans-66-44.7174.8-73.617464.3-160.6-0.9111.8E533 W547 K566 I567 H568 M572 K573 F574E533-R570 IonicContact OE1-CZ 2.91Å; E533-R570 IonicContact OE1-NH1 2.8Å; E533-R570 PolarHBondContact OE1-NH1 3.1Å; E533-R570 IonicContact OE2-CZ 3.8Å; E533-R570 VanDerWaalsContact OE2-CZ 3.27Å; E533-R570 IonicContact OE2-NH1 3.66Å; E533-R570 PolarHBondContact OE2-NH1 3.34Å; E533-R570 IonicContact OE2-NH2 3.82Å; E533-R570 PolarHBondContact OE2-NH2 3.45Å; W547-R570 HydrophobicContact CH2-CB 3.81Å; W547-R570 HydrophobicContact CZ3-CB 3.79Å; K566-R570 WeakPolarHBondContact O-CG 3.44Å; K566-R570 PolarHBondContact O-N 3.03Å; I567-R570 PolarHBondContact O-N 2.66Å; I567-R570 VanDerWaalsContact O-N 3.16Å; H568-R570 VanDerWaalsContact C-N 3.3Å; H568-R570 PolarHBondContact O-N 3.34Å; R570-M572 VanDerWaalsContact C-N 3.32Å; R570-M572 PolarHBondContact O-N 3.48Å; R570-K573 PolarHBondContact O-N 2.96Å; R570-F574 WeakPolarHBondContact O-CB 3.4Å; R570-F574 WeakPolarHBondContact O-CD2 3.4Å; R570-F574 PolarHBondContact O-N 3.2Å
571A86.9Confident85.8Confident0 Ų078.3 Ų78.30%039%0.394CS..Hα-helixtrans-56.5-46.9176.900000111.4W547 I567 H568 K573 F574 L575 F583W547-A571 HydrophobicContact CB-CB 3.87Å; W547-A571 HydrophobicContact CD2-CB 3.5Å; W547-A571 HydrophobicContact CE3-CB 3.71Å; W547-A571 HydrophobicContact CG-CB 3.6Å; W547-A571 HydrophobicContact CZ3-CB 4.45Å; I567-A571 PolarHBondContact O-N 3.12Å; H568-A571 PolarHBondContact O-N 3.02Å; A571-K573 PolarHBondContact O-N 3.01Å; A571-F574 PolarHBondContact O-N 3.23Å; A571-L575 HydrophobicContact CB-CD1 4.16Å; A571-L575 VanDerWaalsContact O-CB 3.27Å; A571-L575 WeakPolarHBondContact O-CB 3.45Å; A571-L575 WeakPolarHBondContact O-CG 3.42Å; A571-L575 PolarHBondContact O-N 3.32Å; A571-F583 HydrophobicContact CB-CD1 4.22Å; A571-F583 HydrophobicContact CB-CD2 4.39Å; A571-F583 HydrophobicContact CB-CE1 3.61Å; A571-F583 HydrophobicContact CB-CE2 3.82Å; A571-F583 HydrophobicContact CB-CZ 3.39Å
572M85.2Confident86.1Confident77 Ų7780 Ų8038%0.37939%0.388SS..Hα-helixtrans-61.1-25.1176-73.1-62.1-65.900114.2H568 R570 V580 F583 T584H568-M572 WeakPolarHBondContact O-CG 3.35Å; H568-M572 PolarHBondContact O-N 3.35Å; R570-M572 VanDerWaalsContact C-N 3.32Å; R570-M572 PolarHBondContact O-N 3.48Å; M572-V580 HydrophobicContact CE-CG1 4.02Å; M572-V580 HydrophobicContact SD-CG1 4.13Å; M572-F583 HydrophobicContact CG-CE1 4.36Å; M572-F583 HydrophobicContact SD-CD1 4.06Å; M572-F583 HydrophobicContact SD-CE1 4.35Å; M572-T584 HydrophobicContact CE-CG2 3.75Å; M572-T584 HydrophobicContact SD-CG2 3.36Å; M572-T584 WeakPolarHBondContact SD-CG2 3.34Å
573K87.4Confident86.4Confident142 Ų14272.3 Ų72.362%0.61735%0.353SS*.Hα-helixtrans-90.8-33.1179.7-172.4-179.9177.7-175.40112.9W569 R570 A571W569-K573 HydrophobicContact CH2-CD 3.84Å; W569-K573 HydrophobicContact CZ2-CD 4.29Å; W569-K573 HydrophobicContact CZ3-CD 4.17Å; W569-K573 PolarHBondContact O-N 3.13Å; R570-K573 PolarHBondContact O-N 2.96Å; A571-K573 PolarHBondContact O-N 3.01Å
574F86.3Confident86.5Confident101 Ų10172.8 Ų72.844%0.44336%0.357SS..Hα-helixtrans-95.2-30.6-173.4-88-95000113.7T541 W547 R570 A571T541-F574 WeakPolarHBondContact CA-O 3.12Å; W547-F574 HydrophobicContact CZ2-CB 3.89Å; W547-F574 HydrophobicContact CZ2-CG 4.36Å; R570-F574 WeakPolarHBondContact O-CB 3.4Å; R570-F574 WeakPolarHBondContact O-CD2 3.4Å; R570-F574 PolarHBondContact O-N 3.2Å; A571-F574 PolarHBondContact O-N 3.23Å
575L88.9Confident86.5Confident8 Ų875.7 Ų75.74%0.04238%0.377CS..  trans-69.8141.2177.5-71.9168.4000110.7G540 T541 D544 A571 V580 F583G540-L575 WeakPolarHBondContact O-CD2 3.31Å; T541-L575 WeakPolarHBondContact O-CA 3.49Å; D544-L575 HydrophobicContact CB-CD1 4.25Å; A571-L575 HydrophobicContact CB-CD1 4.16Å; A571-L575 VanDerWaalsContact O-CB 3.27Å; A571-L575 WeakPolarHBondContact O-CB 3.45Å; A571-L575 WeakPolarHBondContact O-CG 3.42Å; A571-L575 PolarHBondContact O-N 3.32Å; L575-V580 VanDerWaalsContact C-CG2 3.49Å; L575-V580 HydrophobicContact CB-CG2 3.73Å; L575-V580 WeakPolarHBondContact O-CG2 3.31Å; L575-F583 HydrophobicContact CD1-CB 3.58Å; L575-F583 HydrophobicContact CD1-CD1 4.15Å; L575-F583 HydrophobicContact CD1-CD2 3.93Å; L575-F583 HydrophobicContact CD1-CG 3.61Å
576E87.3Confident86.7Confident139 Ų13975.4 Ų75.465%0.6536%0.364SS*.  trans-119.4149.8-178.9-63.1-177.2175.500111.7T541 S579T541-E576 PolarHBondContact O-N 3.35Å; E576-S579 PolarHBondContact O-N 3.37Å
577G85.9Confident86.6Confident62 Ų6270.4 Ų70.464%0.63934%0.341SS*.THydrogen-bonded Turntrans61.8-138.6173.100000114.6S579 V580G577-S579 PolarHBondContact O-N 3.23Å; G577-V580 PolarHBondContact O-N 3.27Å
578E83.9Confident86.4Confident129 Ų12973.9 Ų73.960%0.60336%0.363SS*.Hα-helixtrans-60.9-23.6-177.8-67.9-172.9-174.800113.7V580 E581 R582E578-V580 PolarHBondContact O-N 3.18Å; E578-E581 PolarHBondContact O-N 3.17Å; E578-R582 WeakPolarHBondContact O-CG 3.39Å; E578-R582 PolarHBondContact O-N 3.28Å; E578-R582 VanDerWaalsContact O-N 3.13Å; E578-R582 IonicContact OE2-CZ 2.89Å; E578-R582 IonicContact OE2-NH2 2.96Å; E578-R582 PolarHBondContact OE2-NH2 3.31Å
579S83.1Confident86.2Confident19 Ų1975.5 Ų75.513%0.13337%0.373CS..Hα-helixtrans-66.1-26.1-179.1-58.70000112.3A542 E576 G577 F583A542-S579 PolarHBondContact O-OG 2.91Å; E576-S579 PolarHBondContact O-N 3.37Å; G577-S579 PolarHBondContact O-N 3.23Å; S579-F583 WeakPolarHBondContact O-CB 3.47Å; S579-F583 PolarHBondContact O-N 3.02Å
580V86.2Confident85.9Confident35 Ų3569 Ų6921%0.21235%0.35CS..Hα-helixtrans-68.7-43.6174.9-177.80000111.4M572 L575 G577 E578 F583 T584M572-V580 HydrophobicContact CE-CG1 4.02Å; M572-V580 HydrophobicContact SD-CG1 4.13Å; L575-V580 VanDerWaalsContact C-CG2 3.49Å; L575-V580 HydrophobicContact CB-CG2 3.73Å; L575-V580 WeakPolarHBondContact O-CG2 3.31Å; G577-V580 PolarHBondContact O-N 3.27Å; E578-V580 PolarHBondContact O-N 3.18Å; V580-F583 PolarHBondContact O-N 3.48Å; V580-T584 WeakPolarHBondContact O-CG2 3.39Å; V580-T584 PolarHBondContact O-N 3.43Å; V580-T584 PolarHBondContact O-OG1 3.37Å
581E84.4Confident85.3Confident142 Ų14271.6 Ų71.666%0.66437%0.365SS*.Hα-helixtrans-67.9-38.9179.4-64-175.6176.600111.5E578 T584 S585E578-E581 PolarHBondContact O-N 3.17Å; E581-T584 WeakPolarHBondContact CA-OG1 3.45Å; E581-T584 PolarHBondContact O-OG1 3Å; E581-S585 WeakPolarHBondContact O-CB 3.33Å; E581-S585 PolarHBondContact O-N 2.98Å; E581-S585 VanDerWaalsContact O-N 3.1Å; E581-S585 PolarHBondContact O-OG 2.94Å
582R86.6Confident84.8Confident129 Ų12975.2 Ų75.249%0.48739%0.387SS..Hα-helixtrans-66-45.7174-66.9179.2-167.7-177.67.4111.5E578 S585 K586E578-R582 WeakPolarHBondContact O-CG 3.39Å; E578-R582 PolarHBondContact O-N 3.28Å; E578-R582 VanDerWaalsContact O-N 3.13Å; E578-R582 IonicContact OE2-CZ 2.89Å; E578-R582 IonicContact OE2-NH2 2.96Å; E578-R582 PolarHBondContact OE2-NH2 3.31Å; R582-S585 PolarHBondContact O-N 3.38Å; R582-K586 WeakPolarHBondContact O-CB 3.36Å; R582-K586 WeakPolarHBondContact O-CG 3.29Å; R582-K586 PolarHBondContact O-N 3.18Å
583F89.3Confident84Confident0 Ų074.6 Ų74.60%040%0.401CS..Hα-helixtrans-59-50.4177178.4-101.2000111.9D544 W547 L548 I551 H568 A571 M572 L575 S579 V580 S585 K586 Y587D544-F583 HydrophobicContact CB-CB 3.8Å; D544-F583 HydrophobicContact CB-CD2 4.36Å; W547-F583 HydrophobicContact CB-CD2 4.11Å; W547-F583 HydrophobicContact CB-CE2 3.65Å; W547-F583 HydrophobicContact CB-CZ 4.48Å; L548-F583 HydrophobicContact CD1-CD2 4.23Å; L548-F583 HydrophobicContact CD2-CD2 3.96Å; L548-F583 HydrophobicContact CD2-CE2 3.7Å; L548-F583 HydrophobicContact CD2-CZ 4.49Å; L548-F583 HydrophobicContact CG-CD2 3.7Å; L548-F583 HydrophobicContact CG-CE2 3.7Å; I551-F583 HydrophobicContact CD1-CE2 4.2Å; I551-F583 HydrophobicContact CD1-CZ 3.84Å; H568-F583 AromaticContact CD2-CE1 3.5Å; H568-F583 AromaticContact CD2-CZ 3.85Å; H568-F583 AromaticContact NE2-CE1 3.91Å; A571-F583 HydrophobicContact CB-CD1 4.22Å; A571-F583 HydrophobicContact CB-CD2 4.39Å; A571-F583 HydrophobicContact CB-CE1 3.61Å; A571-F583 HydrophobicContact CB-CE2 3.82Å; A571-F583 HydrophobicContact CB-CZ 3.39Å; M572-F583 HydrophobicContact CG-CE1 4.36Å; M572-F583 HydrophobicContact SD-CD1 4.06Å; M572-F583 HydrophobicContact SD-CE1 4.35Å; L575-F583 HydrophobicContact CD1-CB 3.58Å; L575-F583 HydrophobicContact CD1-CD1 4.15Å; L575-F583 HydrophobicContact CD1-CD2 3.93Å; L575-F583 HydrophobicContact CD1-CG 3.61Å; S579-F583 WeakPolarHBondContact O-CB 3.47Å; S579-F583 PolarHBondContact O-N 3.02Å; V580-F583 PolarHBondContact O-N 3.48Å; F583-S585 VanDerWaalsContact C-N 3.35Å; F583-S585 PolarHBondContact O-N 3.35Å; F583-K586 PolarHBondContact O-N 3.36Å; F583-Y587 HydrophobicContact CZ-CD2 4.47Å; F583-Y587 WeakPolarHBondContact O-CB 3.46Å; F583-Y587 PolarHBondContact O-N 3.49Å
584T85.7Confident82.6Confident45 Ų4575 Ų7528%0.27640%0.404SS..Hα-helixtrans-60.8-42.2179.545.80000112.4M572 V580 E581 T588M572-T584 HydrophobicContact CE-CG2 3.75Å; M572-T584 HydrophobicContact SD-CG2 3.36Å; M572-T584 WeakPolarHBondContact SD-CG2 3.34Å; V580-T584 WeakPolarHBondContact O-CG2 3.39Å; V580-T584 PolarHBondContact O-N 3.43Å; V580-T584 PolarHBondContact O-OG1 3.37Å; E581-T584 WeakPolarHBondContact CA-OG1 3.45Å; E581-T584 PolarHBondContact O-OG1 3Å; T584-T588 WeakPolarHBondContact O-CB 3.46Å; T584-T588 PolarHBondContact O-N 3.27Å; T584-T588 PolarHBondContact O-OG1 3.37Å
585S86.2Confident81.1Confident72 Ų7276.7 Ų76.750%0.50342%0.417SS..Hα-helixtrans-61.8-51176.1-59.70000111.7E581 R582 F583 T588 L589E581-S585 WeakPolarHBondContact O-CB 3.33Å; E581-S585 PolarHBondContact O-N 2.98Å; E581-S585 VanDerWaalsContact O-N 3.1Å; E581-S585 PolarHBondContact O-OG 2.94Å; R582-S585 PolarHBondContact O-N 3.38Å; F583-S585 VanDerWaalsContact C-N 3.35Å; F583-S585 PolarHBondContact O-N 3.35Å; S585-T588 PolarHBondContact O-N 3.18Å; S585-L589 WeakPolarHBondContact O-CG 3.48Å; S585-L589 PolarHBondContact O-N 3.06Å; S585-L589 VanDerWaalsContact O-N 3.11Å
586K86.6Confident80.7Confident62 Ų6280.1 Ų80.127%0.2744%0.436SS..Hα-helixtrans-65.2-40.5179-71.9175.4-178.81720112D544 D545 L548 R582 F583 T588 L589 L590 L595D544-K586 IonicContact OD2-NZ 3.85Å; D544-K586 PolarHBondContact OD2-NZ 2.92Å; D545-K586 IonicContact OD1-NZ 3.92Å; D545-K586 PolarHBondContact OD1-NZ 2.7Å; D545-K586 IonicContact OD2-NZ 3.87Å; L548-K586 HydrophobicContact CD1-CB 3.37Å; L548-K586 HydrophobicContact CD1-CD 3.38Å; L548-K586 HydrophobicContact CD1-CG 4.02Å; L548-K586 HydrophobicContact CD2-CB 4.28Å; L548-K586 HydrophobicContact CG-CB 4.47Å; R582-K586 WeakPolarHBondContact O-CB 3.36Å; R582-K586 WeakPolarHBondContact O-CG 3.29Å; R582-K586 PolarHBondContact O-N 3.18Å; F583-K586 PolarHBondContact O-N 3.36Å; K586-T588 VanDerWaalsContact C-N 3.33Å; K586-T588 PolarHBondContact O-N 2.94Å; K586-L589 WeakPolarHBondContact O-CB 3.4Å; K586-L589 PolarHBondContact O-N 3.28Å; K586-L590 PolarHBondContact O-N 3.35Å; K586-L595 HydrophobicContact CB-CD1 4.5Å; K586-L595 WeakPolarHBondContact O-CD1 3.32Å
587Y85.9Confident80.4Confident26 Ų2677 Ų7710%0.10243%0.425CS..Hα-helixtrans-64.2-38.7177.4-175.2-105.4000112.1L548 I551 H568 F583 L589 L590 Q591L548-Y587 HydrophobicContact CD2-CD2 4.21Å; I551-Y587 HydrophobicContact CD1-CD2 4.04Å; I551-Y587 HydrophobicContact CD1-CE2 3.9Å; I551-Y587 HydrophobicContact CG2-CE2 4.09Å; H568-Y587 HydrophobicContact CB-CE2 4.41Å; H568-Y587 AromaticContact CD2-CD1 3.24Å; H568-Y587 WeakPolarHBondContact CD2-CD1 3.45Å; H568-Y587 AromaticContact CD2-CD2 3.86Å; H568-Y587 AromaticContact CD2-CE1 3.18Å; H568-Y587 WeakPolarHBondContact CD2-CE1 3.5Å; H568-Y587 AromaticContact CD2-CE2 3.84Å; H568-Y587 AromaticContact CD2-CG 3.58Å; H568-Y587 AromaticContact CD2-CZ 3.51Å; H568-Y587 AromaticContact CG-CE1 3.84Å; H568-Y587 AromaticContact CG-CZ 3.89Å; H568-Y587 AromaticContact NE2-CD1 3.33Å; H568-Y587 VanDerWaalsContact NE2-CD1 3.33Å; H568-Y587 WeakPolarHBondContact NE2-CD1 3.4Å; H568-Y587 AromaticContact NE2-CE1 3.46Å; H568-Y587 WeakPolarHBondContact NE2-CE1 3.43Å; H568-Y587 AromaticContact NE2-CG 4Å; F583-Y587 HydrophobicContact CZ-CD2 4.47Å; F583-Y587 WeakPolarHBondContact O-CB 3.46Å; F583-Y587 PolarHBondContact O-N 3.49Å; Y587-L589 VanDerWaalsContact C-N 3.34Å; Y587-L590 WeakPolarHBondContact O-CB 3.22Å; Y587-L590 PolarHBondContact O-N 3.37Å; Y587-Q591 HydrophobicContact CD1-CG 4.35Å; Y587-Q591 VanDerWaalsContact CE1-CD 3.47Å; Y587-Q591 HydrophobicContact CE1-CG 3.95Å; Y587-Q591 VanDerWaalsContact CZ-NE2 3.32Å; Y587-Q591 WeakPolarHBondContact O-CG 3.5Å; Y587-Q591 PolarHBondContact O-N 3.08Å; Y587-Q591 PolarHBondContact OH-NE2 3.47Å; Y587-Q591 VanDerWaalsContact OH-NE2 3.08Å
588T83.7Confident80.1Confident77 Ų7777.8 Ų77.847%0.47241%0.413SS..Hα-helixtrans-63.9-40.6174.5-54.30000111.4T584 S585 K586 L590 Q591 T592T584-T588 WeakPolarHBondContact O-CB 3.46Å; T584-T588 PolarHBondContact O-N 3.27Å; T584-T588 PolarHBondContact O-OG1 3.37Å; S585-T588 PolarHBondContact O-N 3.18Å; K586-T588 VanDerWaalsContact C-N 3.33Å; K586-T588 PolarHBondContact O-N 2.94Å; T588-L590 VanDerWaalsContact C-N 3.31Å; T588-L590 PolarHBondContact O-N 3.23Å; T588-Q591 PolarHBondContact O-N 3.44Å; T588-T592 WeakPolarHBondContact O-CG2 3.35Å; T588-T592 PolarHBondContact O-N 3.14Å; T588-T592 PolarHBondContact O-OG1 3.34Å
589L82.6Confident79.8Confident82 Ų8274.8 Ų74.843%0.42940%0.402SS..Hα-helixtrans-63.3-37.6173.5-70.2171.7000111.9S585 K586 Y587 T592 G593 H594 L595S585-L589 WeakPolarHBondContact O-CG 3.48Å; S585-L589 PolarHBondContact O-N 3.06Å; S585-L589 VanDerWaalsContact O-N 3.11Å; K586-L589 WeakPolarHBondContact O-CB 3.4Å; K586-L589 PolarHBondContact O-N 3.28Å; Y587-L589 VanDerWaalsContact C-N 3.34Å; L589-T592 WeakPolarHBondContact CA-OG1 2.81Å; L589-T592 PolarHBondContact O-N 3.06Å; L589-T592 PolarHBondContact O-OG1 3.44Å; L589-G593 PolarHBondContact O-N 3.5Å; L589-H594 HydrophobicContact CD2-CB 4.18Å; L589-H594 PolarHBondContact O-N 3.49Å; L589-L595 HydrophobicContact CB-CD1 3.8Å; L589-L595 HydrophobicContact CB-CG 4.26Å
590L82.6Confident79.6Confident26 Ų2678.3 Ų78.314%0.13642%0.419CS..Hα-helixtrans-65-43.6176.8-171.965.9000111.3I551 Q552 M555 K586 Y587 T588 T592 G593 L595I551-L590 HydrophobicContact CG2-CD2 4.4Å; Q552-L590 HydrophobicContact CG-CD1 3.91Å; Q552-L590 HydrophobicContact CG-CD2 3.83Å; M555-L590 HydrophobicContact SD-CD2 4.15Å; M555-L590 HydrophobicContact SD-CG 4.49Å; K586-L590 PolarHBondContact O-N 3.35Å; Y587-L590 WeakPolarHBondContact O-CB 3.22Å; Y587-L590 PolarHBondContact O-N 3.37Å; T588-L590 VanDerWaalsContact C-N 3.31Å; T588-L590 PolarHBondContact O-N 3.23Å; L590-T592 VanDerWaalsContact C-N 3.32Å; L590-T592 PolarHBondContact O-N 3.47Å; L590-G593 PolarHBondContact O-N 3.26Å; L590-L595 HydrophobicContact CB-CD1 3.86Å; L590-L595 HydrophobicContact CD1-CB 4.22Å; L590-L595 HydrophobicContact CD1-CD1 4.4Å
591Q77.4Confident79.2Confident130 Ų13081.2 Ų81.261%0.60743%0.432SS*.Hα-helixtrans-67.5-31.4177.8-72.9-168.1-2400113.2Y587 T588 G593Y587-Q591 HydrophobicContact CD1-CG 4.35Å; Y587-Q591 VanDerWaalsContact CE1-CD 3.47Å; Y587-Q591 HydrophobicContact CE1-CG 3.95Å; Y587-Q591 VanDerWaalsContact CZ-NE2 3.32Å; Y587-Q591 WeakPolarHBondContact O-CG 3.5Å; Y587-Q591 PolarHBondContact O-N 3.08Å; Y587-Q591 PolarHBondContact OH-NE2 3.47Å; Y587-Q591 VanDerWaalsContact OH-NE2 3.08Å; T588-Q591 PolarHBondContact O-N 3.44Å; Q591-G593 VanDerWaalsContact C-N 3.31Å
592T75.9Confident78.8Confident76 Ų7676.9 Ų76.947%0.46642%0.416SS..THydrogen-bonded Turntrans-85.8-1.2179.252.70000113.5T588 L589 L590 H594T588-T592 WeakPolarHBondContact O-CG2 3.35Å; T588-T592 PolarHBondContact O-N 3.14Å; T588-T592 PolarHBondContact O-OG1 3.34Å; L589-T592 WeakPolarHBondContact CA-OG1 2.81Å; L589-T592 PolarHBondContact O-N 3.06Å; L589-T592 PolarHBondContact O-OG1 3.44Å; L590-T592 VanDerWaalsContact C-N 3.32Å; L590-T592 PolarHBondContact O-N 3.47Å; T592-H594 VanDerWaalsContact C-N 3.34Å; T592-H594 PolarHBondContact OG1-CD2 3.24Å
593G67.7Low78.2Confident64 Ų6472.8 Ų72.866%0.6641%0.41SS*.THydrogen-bonded Turntrans73.323.6177.400000114L589 L590 Q591L589-G593 PolarHBondContact O-N 3.5Å; L590-G593 PolarHBondContact O-N 3.26Å; Q591-G593 VanDerWaalsContact C-N 3.31Å
594H58.7Low77.3Confident151 Ų15178.9 Ų78.970%0.69944%0.444SS*.  trans-106.218.7-176.5-67.4-48000113.3L589 T592L589-H594 HydrophobicContact CD2-CB 4.18Å; L589-H594 PolarHBondContact O-N 3.49Å; T592-H594 VanDerWaalsContact C-N 3.34Å; T592-H594 PolarHBondContact OG1-CD2 3.24Å
595L54.8Low76.6Confident136 Ų13682 Ų8271%0.71246%0.46SS*.  trans-116.70-174.6-131.7159.1000111.9K586 L589 L590K586-L595 HydrophobicContact CB-CD1 4.5Å; K586-L595 WeakPolarHBondContact O-CD1 3.32Å; L589-L595 HydrophobicContact CB-CD1 3.8Å; L589-L595 HydrophobicContact CB-CG 4.26Å; L590-L595 HydrophobicContact CB-CD1 3.86Å; L590-L595 HydrophobicContact CD1-CB 4.22Å; L590-L595 HydrophobicContact CD1-CD1 4.4Å

Retrieved 595 of 595 residues in 806.1 ms (Link to these results)

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