A0A087X203_HUMAN Loading...

Serine/threonine-protein kinase Nek3

AlphaFold DB , UniProt , Accession A0A087X203, Species HUMAN (Homo sapiens, Human), Gene NEK3, Length 298 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
1M63Low88.3Confident81 Ų8181.5 Ų81.540%0.39942%0.419SS..  05.40-117.6169.9-170.600110.5D3 Y4 Y76M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 2.84Å; M1-Y4 PolarHBondContact O-N 3.41Å; M1-Y76 HydrophobicContact CE-CE1 3.54Å; M1-Y76 VanDerWaalsContact CE-OH 3.23Å; M1-Y76 WeakPolarHBondContact CE-OH 3.31Å
2D72.7Confident87.7Confident136 Ų13686.8 Ų86.873%0.72744%0.44SS*.THydrogen-bonded Turntrans-83.9-14.5-149.9-46.3-3.4000111.8
3D89.6Confident86.1Confident102 Ų10283.8 Ų83.855%0.54544%0.444SS..THydrogen-bonded Turntrans-92.3-5.5176.2-58.8-47.8000113.6M1 H23 E24M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 2.84Å; D3-H23 WeakPolarHBondContact O-CA 3.47Å; D3-H23 PolarHBondContact O-CD2 2.76Å; D3-E24 PolarHBondContact O-N 3.47Å
4Y94.6Very high84.1Confident11 Ų1185.1 Ų85.14%0.04346%0.464CS..EExtended strand (participates in β ladder)trans-131.7113.9-171.5-70-79.4000112.8M1 V21 Q22 H23 F30 M32 E67 F69 V78M1-Y4 PolarHBondContact O-N 3.41Å; Y4-V21 HydrophobicContact CD1-CB 4.3Å; Y4-V21 HydrophobicContact CD1-CG2 3.68Å; Y4-V21 HydrophobicContact CE1-CG2 4.33Å; Y4-V21 HydrophobicContact CG-CG2 4.36Å; Y4-Q22 CarbonylContact C-O 3.56Å; Y4-Q22 WeakPolarHBondContact CA-O 3.23Å; Y4-H23 HydrophobicContact CD1-CB 4.1Å; Y4-H23 HydrophobicContact CE1-CB 3.8Å; Y4-H23 AromaticContact CE1-CD2 3.79Å; Y4-H23 AromaticContact CZ-CD2 3.79Å; Y4-F30 AromaticContact CE1-CD2 3.86Å; Y4-F30 HydrophobicContact CE1-CD2 3.86Å; Y4-F30 HydrophobicContact CE1-CE2 4.41Å; Y4-M32 HydrophobicContact CD1-CE 4.32Å; Y4-M32 HydrophobicContact CD2-CE 3.9Å; Y4-M32 HydrophobicContact CG-CE 3.75Å; Y4-E67 PolarHBondContact OH-OE1 3.12Å; Y4-F69 HydrophobicContact CD2-CE1 4.34Å; Y4-F69 HydrophobicContact CD2-CZ 4.48Å; Y4-F69 HydrophobicContact CE2-CE1 4.24Å; Y4-V78 HydrophobicContact CE1-CG1 3.96Å; Y4-V78 HydrophobicContact CE2-CG2 4.21Å
5M94.9Very high82.6Confident92 Ų9287.8 Ų87.845%0.45347%0.47SS..EExtended strand (participates in β ladder)trans-81.4121171.4-171.5173.98400110.8L7 V21 Q22M5-L7 HydrophobicContact CE-CD2 3.3Å; M5-L7 HydrophobicContact CG-CD2 4.5Å; M5-L7 PolarHBondContact O-N 2.9Å; M5-V21 CarbonylContact O-C 3.56Å; M5-V21 VanDerWaalsContact O-CA 3.26Å; M5-V21 WeakPolarHBondContact O-CA 3.36Å; M5-Q22 PolarHBondContact N-O 3.46Å; M5-Q22 PolarHBondContact O-N 3.47Å
6V95.6Very high82.3Confident69 Ų6984 Ų8442%0.41846%0.458SS..EExtended strand (participates in β ladder)trans-75.5122.9175.4-1790000110L19 V21V6-L19 HydrophobicContact CG1-CB 4.37Å; V6-L19 HydrophobicContact CG1-CD1 4.25Å; V6-L19 HydrophobicContact CG1-CD2 4.41Å; V6-L19 HydrophobicContact CG2-CD1 4.34Å; V6-V21 HydrophobicContact CG2-CG1 4.16Å
7L95.5Very high82.7Confident68 Ų6885.1 Ų85.136%0.35645%0.454SS..EExtended strand (participates in β ladder)trans-94.3-51.3180-59.1-174.8000112.2M5 L20 Q22 M29M5-L7 HydrophobicContact CE-CD2 3.3Å; M5-L7 HydrophobicContact CG-CD2 4.5Å; M5-L7 PolarHBondContact O-N 2.9Å; L7-L20 HydrophobicContact CB-CG 4.39Å; L7-L20 WeakPolarHBondContact CB-O 3.37Å; L7-L20 HydrophobicContact CD1-CD2 4.27Å; L7-L20 HydrophobicContact CD1-CG 4.19Å; L7-L20 PolarHBondContact N-O 3.4Å; L7-Q22 HydrophobicContact CD1-CB 4.21Å; L7-Q22 HydrophobicContact CD2-CB 4.4Å; L7-Q22 HydrophobicContact CG-CB 4.35Å; L7-M29 HydrophobicContact CD1-CE 3.48Å; L7-M29 VanDerWaalsContact CD1-CE 3.48Å; L7-M29 HydrophobicContact CD1-SD 3.4Å; L7-M29 WeakPolarHBondContact CD1-SD 3.41Å
8R95.2Very high83.2Confident146 Ų14682 Ų8255%0.55144%0.442SS*.EExtended strand (participates in β ladder)trans-164.2160.7-178.663.1-177.5-177.9-155.30.3112.1I10 L20R8-I10 HydrophobicContact CG-CG2 4.27Å; R8-L20 HydrophobicContact CG-CB 4.04Å; R8-L20 HydrophobicContact CG-CD2 4.19Å; R8-L20 PolarHBondContact N-O 3.4Å; R8-L20 PolarHBondContact O-N 2.85Å
9M94.4Very high83.8Confident92 Ų9278.4 Ų78.445%0.45342%0.422SS..EExtended strand (participates in β ladder)trans-75.8133.8167.2-166.2-176.5-53.600110.4E12 R17 L19M9-E12 HydrophobicContact SD-CB 4.3Å; M9-R17 HydrophobicContact CE-CG 4.46Å; M9-L19 HydrophobicContact CB-CD2 4.23Å; M9-L19 HydrophobicContact CG-CD2 4.25Å
10I90.9Very high84.4Confident71 Ų7175 Ų7536%0.36440%0.404SS..EExtended strand (participates in β ladder)trans-114-11.5177.957172.8000113R8 A18 L20 A31 Y81R8-I10 HydrophobicContact CG-CG2 4.27Å; I10-A18 HydrophobicContact CD1-CB 4.41Å; I10-A18 HydrophobicContact CG1-CB 3.86Å; I10-A18 VanDerWaalsContact CG1-O 3.3Å; I10-A18 WeakPolarHBondContact CG1-O 3.4Å; I10-A18 PolarHBondContact N-O 2.86Å; I10-L20 HydrophobicContact CG2-CB 3.64Å; I10-A31 HydrophobicContact CD1-CB 4.03Å; I10-Y81 HydrophobicContact CD1-CD2 4.28Å; I10-Y81 HydrophobicContact CD1-CE2 4.21Å
11G84.4Confident85Confident29 Ų2971.4 Ų71.430%0.29938%0.384SS..EExtended strand (participates in β ladder)trans-171.7157.9172.900000112.6A18G11-A18 PolarHBondContact N-O 2.92Å; G11-A18 PolarHBondContact O-N 2.98Å
12E81.4Confident86.6Confident144 Ų14469.4 Ų69.467%0.67337%0.374SS*.EExtended strand (participates in β ladder)trans-133138.4173.6-171.2175.2-175.300108.6M9 R17M9-E12 HydrophobicContact SD-CB 4.3Å; E12-R17 HydrophobicContact CG-CG 4.48Å
13G66.9Low87.7Confident48 Ų4864.2 Ų64.250%0.49535%0.345SS..EExtended strand (participates in β ladder)trans-142.8175.9179.500000111.7F15 G16G13-F15 PolarHBondContact O-N 3.35Å; G13-F15 VanDerWaalsContact O-N 3.09Å; G13-G16 PolarHBondContact N-O 2.85Å; G13-G16 PolarHBondContact O-N 2.81Å; G13-G16 VanDerWaalsContact O-O 3.1Å
14S58.1Low87.8Confident103 Ų10364.9 Ų64.972%0.7235%0.345SS*.THydrogen-bonded Turntrans-61.7-20.6-176.150.40000114.8
15F61.6Low87.7Confident125 Ų12569.2 Ų69.255%0.54838%0.377SS..THydrogen-bonded Turntrans-106.4-3.8-176.7-57.7-73.8000113.4G13 V163G13-F15 PolarHBondContact O-N 3.35Å; G13-F15 VanDerWaalsContact O-N 3.09Å; F15-V163 HydrophobicContact CE2-CG1 4.35Å
16G78Confident87.6Confident27 Ų2767.5 Ų67.528%0.27838%0.375SS..EExtended strand (participates in β ladder)trans145.3-157.1178.300000114G13 E34G13-G16 PolarHBondContact N-O 2.85Å; G13-G16 PolarHBondContact O-N 2.81Å; G13-G16 VanDerWaalsContact O-O 3.1Å; G16-E34 CarbonylContact C-O 3.58Å; G16-E34 VanDerWaalsContact CA-O 3.27Å; G16-E34 WeakPolarHBondContact CA-O 3.26Å
17R89.4Confident87.5Confident103 Ų10369.4 Ų69.439%0.38938%0.382SS..EExtended strand (participates in β ladder)trans-114.2149.2-169.4-59.6-179.3-64.9-176.5-0.2111.1M9 E12 L19 K33 E34M9-R17 HydrophobicContact CE-CG 4.46Å; E12-R17 HydrophobicContact CG-CG 4.48Å; R17-L19 HydrophobicContact CB-CD2 4.49Å; R17-K33 WeakPolarHBondContact O-CA 3.48Å; R17-E34 IonicContact CZ-OE2 3.14Å; R17-E34 PolarHBondContact N-O 3.44Å; R17-E34 VanDerWaalsContact N-O 3.08Å; R17-E34 IonicContact NE-OE2 2.71Å; R17-E34 PolarHBondContact NE-OE2 2.89Å; R17-E34 VanDerWaalsContact NH2-CD 3.3Å; R17-E34 IonicContact NH2-OE1 3.01Å; R17-E34 PolarHBondContact NH2-OE1 3.46Å; R17-E34 IonicContact NH2-OE2 2.76Å; R17-E34 PolarHBondContact NH2-OE2 2.84Å; R17-E34 PolarHBondContact O-N 2.92Å
18A91.5Very high87.5Confident29 Ų2971.1 Ų71.124%0.2439%0.389CS..EExtended strand (participates in β ladder)trans-108.8125168.300000108.5I10 G11 M32I10-A18 HydrophobicContact CD1-CB 4.41Å; I10-A18 HydrophobicContact CG1-CB 3.86Å; I10-A18 VanDerWaalsContact CG1-O 3.3Å; I10-A18 WeakPolarHBondContact CG1-O 3.4Å; I10-A18 PolarHBondContact N-O 2.86Å; G11-A18 PolarHBondContact N-O 2.92Å; G11-A18 PolarHBondContact O-N 2.98Å; A18-M32 WeakPolarHBondContact CA-O 3.4Å
19L94.9Very high87.5Confident13 Ų1367.7 Ų67.77%0.06838%0.38CS..EExtended strand (participates in β ladder)trans-115.8139-176.2-55.5174.6000109.3V6 M9 R17 V21 A31 M32V6-L19 HydrophobicContact CG1-CB 4.37Å; V6-L19 HydrophobicContact CG1-CD1 4.25Å; V6-L19 HydrophobicContact CG1-CD2 4.41Å; V6-L19 HydrophobicContact CG2-CD1 4.34Å; M9-L19 HydrophobicContact CB-CD2 4.23Å; M9-L19 HydrophobicContact CG-CD2 4.25Å; R17-L19 HydrophobicContact CB-CD2 4.49Å; L19-V21 HydrophobicContact CB-CG1 4.11Å; L19-A31 CarbonylContact O-C 3.53Å; L19-A31 WeakPolarHBondContact O-CA 3.48Å; L19-M32 HydrophobicContact CB-CB 4.45Å; L19-M32 PolarHBondContact N-O 3.23Å; L19-M32 PolarHBondContact O-N 3.29Å
20L96.3Very high87.6Confident10 Ų1063.7 Ų63.75%0.05236%0.36CS..EExtended strand (participates in β ladder)trans-83.6123.6162.4176.763.3000107.6L7 R8 I10 M29 F30 Y81L7-L20 HydrophobicContact CB-CG 4.39Å; L7-L20 WeakPolarHBondContact CB-O 3.37Å; L7-L20 HydrophobicContact CD1-CD2 4.27Å; L7-L20 HydrophobicContact CD1-CG 4.19Å; L7-L20 PolarHBondContact N-O 3.4Å; R8-L20 HydrophobicContact CG-CB 4.04Å; R8-L20 HydrophobicContact CG-CD2 4.19Å; R8-L20 PolarHBondContact N-O 3.4Å; R8-L20 PolarHBondContact O-N 2.85Å; I10-L20 HydrophobicContact CG2-CB 3.64Å; L20-M29 HydrophobicContact CD1-CB 4.16Å; L20-M29 HydrophobicContact CD1-SD 4.49Å; L20-F30 WeakPolarHBondContact CD1-O 3.4Å; L20-Y81 HydrophobicContact CD1-CD1 3.75Å; L20-Y81 HydrophobicContact CD1-CD2 3.75Å; L20-Y81 HydrophobicContact CD1-CE1 3.89Å; L20-Y81 HydrophobicContact CD1-CE2 3.89Å; L20-Y81 HydrophobicContact CD1-CG 3.68Å
21V96.9Very high87.8Confident0 Ų061 Ų610%035%0.348CS..EExtended strand (participates in β ladder)trans-125.4153.8-178.7-56.50000110.3Y4 M5 V6 L19 M29 F30 M32Y4-V21 HydrophobicContact CD1-CB 4.3Å; Y4-V21 HydrophobicContact CD1-CG2 3.68Å; Y4-V21 HydrophobicContact CE1-CG2 4.33Å; Y4-V21 HydrophobicContact CG-CG2 4.36Å; M5-V21 CarbonylContact O-C 3.56Å; M5-V21 VanDerWaalsContact O-CA 3.26Å; M5-V21 WeakPolarHBondContact O-CA 3.36Å; V6-V21 HydrophobicContact CG2-CG1 4.16Å; L19-V21 HydrophobicContact CB-CG1 4.11Å; V21-M29 WeakPolarHBondContact O-CA 3.3Å; V21-F30 HydrophobicContact CG2-CB 3.83Å; V21-F30 PolarHBondContact N-O 2.92Å; V21-F30 PolarHBondContact O-N 3.33Å; V21-M32 HydrophobicContact CG1-CB 3.73Å; V21-M32 HydrophobicContact CG1-CE 4.08Å; V21-M32 HydrophobicContact CG1-SD 4.12Å; V21-M32 HydrophobicContact CG2-CB 4.01Å; V21-M32 HydrophobicContact CG2-CE 4.14Å
22Q96.8Very high88.3Confident39 Ų3959.7 Ų59.718%0.18233%0.334CS..EExtended strand (participates in β ladder)trans-114.2127.8172.4-171.9173.330.100109.1Y4 M5 L7 E24 N27 M29Y4-Q22 CarbonylContact C-O 3.56Å; Y4-Q22 WeakPolarHBondContact CA-O 3.23Å; M5-Q22 PolarHBondContact N-O 3.46Å; M5-Q22 PolarHBondContact O-N 3.47Å; L7-Q22 HydrophobicContact CD1-CB 4.21Å; L7-Q22 HydrophobicContact CD2-CB 4.4Å; L7-Q22 HydrophobicContact CG-CB 4.35Å; Q22-E24 PolarHBondContact O-N 2.88Å; Q22-N27 PolarHBondContact NE2-O 3.05Å; Q22-N27 VanDerWaalsContact NE2-O 3.12Å; Q22-N27 PolarHBondContact NE2-OD1 2.88Å; Q22-M29 HydrophobicContact CB-CE 4.44Å; Q22-M29 HydrophobicContact CB-SD 3.85Å; Q22-M29 HydrophobicContact CG-CE 4.3Å; Q22-M29 HydrophobicContact CG-SD 4.06Å
23H95.4Very high88.8Confident27 Ų2754.6 Ų54.613%0.12531%0.309CS..EExtended strand (participates in β ladder)trans-73.8122.2173.7-177.2-122000109.6D3 Y4 S25 S26 N27 Q28 F30D3-H23 WeakPolarHBondContact O-CA 3.47Å; D3-H23 PolarHBondContact O-CD2 2.76Å; Y4-H23 HydrophobicContact CD1-CB 4.1Å; Y4-H23 HydrophobicContact CE1-CB 3.8Å; Y4-H23 AromaticContact CE1-CD2 3.79Å; Y4-H23 AromaticContact CZ-CD2 3.79Å; H23-S25 PolarHBondContact CE1-OG 2.81Å; H23-S25 PolarHBondContact ND1-OG 3.43Å; H23-S25 PolarHBondContact O-N 2.89Å; H23-S26 PolarHBondContact ND1-OG 3.18Å; H23-S26 PolarHBondContact O-N 2.71Å; H23-N27 VanDerWaalsContact O-CA 3.31Å; H23-N27 WeakPolarHBondContact O-CA 3.49Å; H23-N27 PolarHBondContact O-N 3.01Å; H23-Q28 PolarHBondContact N-O 2.79Å; H23-F30 HydrophobicContact CB-CD2 4.11Å; H23-F30 HydrophobicContact CB-CE2 3.81Å
24E92.1Very high90Very high116 Ų11652.8 Ų52.854%0.54229%0.288SS..THydrogen-bonded Turntrans-62-43.8-167.3-67.2-165.7172.700112.8D3 Q22D3-E24 PolarHBondContact O-N 3.47Å; Q22-E24 PolarHBondContact O-N 2.88Å
25S91.5Very high91.4Very high102 Ų10248.4 Ų48.471%0.71326%0.256SS*.THydrogen-bonded Turntrans-75.1-28.7-17659.80000114H23H23-S25 PolarHBondContact CE1-OG 2.81Å; H23-S25 PolarHBondContact ND1-OG 3.43Å; H23-S25 PolarHBondContact O-N 2.89Å
26S93.3Very high92.6Very high57 Ų5751 Ų5140%0.39926%0.263SS..THydrogen-bonded Turntrans-111.3-4.5-174.876.40000114.3H23 Q28H23-S26 PolarHBondContact ND1-OG 3.18Å; H23-S26 PolarHBondContact O-N 2.71Å; S26-Q28 PolarHBondContact O-N 2.82Å; S26-Q28 WeakPolarHBondContact OG-CB 3.44Å; S26-Q28 PolarHBondContact OG-N 2.9Å
27N92.9Very high92.8Very high109 Ų10950.9 Ų50.958%0.58326%0.256SS*.  trans54.213.9-172.2-72-54.8000115.1Q22 H23Q22-N27 PolarHBondContact NE2-O 3.05Å; Q22-N27 VanDerWaalsContact NE2-O 3.12Å; Q22-N27 PolarHBondContact NE2-OD1 2.88Å; H23-N27 VanDerWaalsContact O-CA 3.31Å; H23-N27 WeakPolarHBondContact O-CA 3.49Å; H23-N27 PolarHBondContact O-N 3.01Å
28Q94.8Very high92.1Very high104 Ų10448 Ų4849%0.48625%0.25SS..  trans-82.4138.1-175.8-174.4176.9-1.700110.8H23 S26 F30H23-Q28 PolarHBondContact N-O 2.79Å; S26-Q28 PolarHBondContact O-N 2.82Å; S26-Q28 WeakPolarHBondContact OG-CB 3.44Å; S26-Q28 PolarHBondContact OG-N 2.9Å; Q28-F30 HydrophobicContact CB-CE2 3.76Å; Q28-F30 HydrophobicContact CB-CZ 4.07Å; Q28-F30 HydrophobicContact CG-CE1 4.36Å; Q28-F30 HydrophobicContact CG-CE2 3.74Å; Q28-F30 HydrophobicContact CG-CZ 3.62Å; Q28-F30 WeakPolarHBondContact O-CD2 3.41Å
29M96.4Very high91Very high74 Ų7456.7 Ų56.737%0.36528%0.283SS..EExtended strand (participates in β ladder)trans-83.6138178.9-61.7-60.8-177.800112.1L7 L20 V21 Q22 Y81L7-M29 HydrophobicContact CD1-CE 3.48Å; L7-M29 VanDerWaalsContact CD1-CE 3.48Å; L7-M29 HydrophobicContact CD1-SD 3.4Å; L7-M29 WeakPolarHBondContact CD1-SD 3.41Å; L20-M29 HydrophobicContact CD1-CB 4.16Å; L20-M29 HydrophobicContact CD1-SD 4.49Å; V21-M29 WeakPolarHBondContact O-CA 3.3Å; Q22-M29 HydrophobicContact CB-CE 4.44Å; Q22-M29 HydrophobicContact CB-SD 3.85Å; Q22-M29 HydrophobicContact CG-CE 4.3Å; Q22-M29 HydrophobicContact CG-SD 4.06Å; M29-Y81 HydrophobicContact CB-CD1 4.22Å
30F96.5Very high89.4Confident8 Ų858.7 Ų58.74%0.03530%0.298CS..EExtended strand (participates in β ladder)trans-136.1157.6175.8-63.6-80.1000111.6Y4 L20 V21 H23 Q28 K66 V78 M79Y4-F30 AromaticContact CE1-CD2 3.86Å; Y4-F30 HydrophobicContact CE1-CD2 3.86Å; Y4-F30 HydrophobicContact CE1-CE2 4.41Å; L20-F30 WeakPolarHBondContact CD1-O 3.4Å; V21-F30 HydrophobicContact CG2-CB 3.83Å; V21-F30 PolarHBondContact N-O 2.92Å; V21-F30 PolarHBondContact O-N 3.33Å; H23-F30 HydrophobicContact CB-CD2 4.11Å; H23-F30 HydrophobicContact CB-CE2 3.81Å; Q28-F30 HydrophobicContact CB-CE2 3.76Å; Q28-F30 HydrophobicContact CB-CZ 4.07Å; Q28-F30 HydrophobicContact CG-CE1 4.36Å; Q28-F30 HydrophobicContact CG-CE2 3.74Å; Q28-F30 HydrophobicContact CG-CZ 3.62Å; Q28-F30 WeakPolarHBondContact O-CD2 3.41Å; F30-K66 HydrophobicContact CD1-CD 4.12Å; F30-K66 HydrophobicContact CE1-CD 3.43Å; F30-K66 VanDerWaalsContact CE1-CD 3.43Å; F30-K66 HydrophobicContact CE2-CD 4.21Å; F30-K66 HydrophobicContact CZ-CD 3.48Å; F30-K66 VanDerWaalsContact CZ-CD 3.48Å; F30-K66 VanDerWaalsContact CZ-NZ 3.31Å; F30-V78 HydrophobicContact CB-CG1 3.66Å; F30-V78 HydrophobicContact CD1-CG1 4.18Å; F30-V78 HydrophobicContact CG-CG1 3.86Å; F30-M79 WeakPolarHBondContact CB-O 3.38Å
31A95.5Very high87.5Confident13 Ų1367.3 Ų67.311%0.10734%0.335CS..EExtended strand (participates in β ladder)trans-92.4131.2164.100000108.2I10 L19 M79 Y81I10-A31 HydrophobicContact CD1-CB 4.03Å; L19-A31 CarbonylContact O-C 3.53Å; L19-A31 WeakPolarHBondContact O-CA 3.48Å; A31-M79 HydrophobicContact CB-CG 3.87Å; A31-M79 PolarHBondContact N-O 2.84Å; A31-M79 WeakPolarHBondContact O-CG 3.22Å; A31-M79 PolarHBondContact O-N 3.04Å; A31-Y81 HydrophobicContact CB-CD2 4.44Å
32M94.9Very high85.6Confident2 Ų271.9 Ų71.91%0.0137%0.367CS..EExtended strand (participates in β ladder)trans-117.6115.9176.2-176.4-176.5-7400108.8Y4 A18 L19 V21 F69 Y76 I77 V78Y4-M32 HydrophobicContact CD1-CE 4.32Å; Y4-M32 HydrophobicContact CD2-CE 3.9Å; Y4-M32 HydrophobicContact CG-CE 3.75Å; A18-M32 WeakPolarHBondContact CA-O 3.4Å; L19-M32 HydrophobicContact CB-CB 4.45Å; L19-M32 PolarHBondContact N-O 3.23Å; L19-M32 PolarHBondContact O-N 3.29Å; V21-M32 HydrophobicContact CG1-CB 3.73Å; V21-M32 HydrophobicContact CG1-CE 4.08Å; V21-M32 HydrophobicContact CG1-SD 4.12Å; V21-M32 HydrophobicContact CG2-CB 4.01Å; V21-M32 HydrophobicContact CG2-CE 4.14Å; M32-F69 HydrophobicContact CE-CE1 4.27Å; M32-F69 HydrophobicContact CE-CZ 3.77Å; M32-F69 HydrophobicContact SD-CZ 4.41Å; M32-Y76 HydrophobicContact CG-CD1 4.01Å; M32-Y76 HydrophobicContact SD-CD1 3.56Å; M32-Y76 VanDerWaalsContact SD-CD1 3.56Å; M32-Y76 HydrophobicContact SD-CE1 4.32Å; M32-Y76 HydrophobicContact SD-CG 4.23Å; M32-I77 WeakPolarHBondContact CA-O 3.35Å; M32-V78 HydrophobicContact CE-CG2 3.82Å; M32-V78 HydrophobicContact CG-CG2 4.35Å
33K92Very high83.5Confident37 Ų3774.2 Ų74.216%0.16138%0.381CS..EExtended strand (participates in β ladder)trans-91.2117.6173.5-166.5179-171.8-177.20108.6R17 I35 E50 Y76 I77 M79 D145R17-K33 WeakPolarHBondContact O-CA 3.48Å; K33-I35 HydrophobicContact CD-CD1 4.18Å; K33-I35 HydrophobicContact CD-CG1 4.37Å; K33-I35 HydrophobicContact CG-CD1 4.4Å; K33-I35 HydrophobicContact CG-CG1 4.1Å; K33-E50 IonicContact NZ-OE1 3.89Å; K33-E50 PolarHBondContact NZ-OE1 3.32Å; K33-E50 IonicContact NZ-OE2 2.66Å; K33-E50 PolarHBondContact NZ-OE2 2.55Å; K33-Y76 CarbonylContact O-C 3.56Å; K33-Y76 WeakPolarHBondContact O-CA 3.49Å; K33-I77 HydrophobicContact CB-CB 4.36Å; K33-I77 PolarHBondContact N-O 3.43Å; K33-I77 PolarHBondContact O-N 2.82Å; K33-M79 HydrophobicContact CB-CE 3.84Å; K33-D145 IonicContact NZ-OD1 2.7Å; K33-D145 PolarHBondContact NZ-OD1 3.19Å
34E91.4Very high81.6Confident11 Ų1173.5 Ų73.55%0.05138%0.379CS..EExtended strand (participates in β ladder)trans-96.4121.1175.1176-168.9-151.600108.5G16 R17 H74 Y76G16-E34 CarbonylContact C-O 3.58Å; G16-E34 VanDerWaalsContact CA-O 3.27Å; G16-E34 WeakPolarHBondContact CA-O 3.26Å; R17-E34 IonicContact CZ-OE2 3.14Å; R17-E34 PolarHBondContact N-O 3.44Å; R17-E34 VanDerWaalsContact N-O 3.08Å; R17-E34 IonicContact NE-OE2 2.71Å; R17-E34 PolarHBondContact NE-OE2 2.89Å; R17-E34 VanDerWaalsContact NH2-CD 3.3Å; R17-E34 IonicContact NH2-OE1 3.01Å; R17-E34 PolarHBondContact NH2-OE1 3.46Å; R17-E34 IonicContact NH2-OE2 2.76Å; R17-E34 PolarHBondContact NH2-OE2 2.84Å; R17-E34 PolarHBondContact O-N 2.92Å; E34-H74 HydrophobicContact CG-CB 4.12Å; E34-H74 IonicContact OE1-CD2 3.79Å; E34-Y76 HydrophobicContact CB-CD1 4.01Å; E34-Y76 HydrophobicContact CB-CE1 3.84Å; E34-Y76 HydrophobicContact CG-CD1 4.19Å; E34-Y76 HydrophobicContact CG-CE1 3.59Å
35I88.1Confident80.1Confident10 Ų1074.7 Ų74.75%0.05138%0.384CS..EExtended strand (participates in β ladder)trans-121.3123.3-178.1-57174.6000108.2K33 L37 H74 L75 I77K33-I35 HydrophobicContact CD-CD1 4.18Å; K33-I35 HydrophobicContact CD-CG1 4.37Å; K33-I35 HydrophobicContact CG-CD1 4.4Å; K33-I35 HydrophobicContact CG-CG1 4.1Å; I35-L37 PolarHBondContact O-N 2.78Å; I35-H74 CarbonylContact O-C 3.52Å; I35-H74 WeakPolarHBondContact O-CA 3.27Å; I35-L75 HydrophobicContact CB-CB 4.41Å; I35-L75 PolarHBondContact N-O 3.28Å; I35-L75 PolarHBondContact O-N 3.08Å; I35-I77 HydrophobicContact CD1-CD1 3.8Å
36R85.4Confident78.8Confident180 Ų18073.6 Ų73.668%0.67937%0.37SS*.EExtended strand (participates in β ladder)trans-68.8125.3178-170.9175.8-176.5174.65.2110.5
37L83.5Confident77.6Confident25 Ų2572.1 Ų72.113%0.13136%0.36CS..PPolyproline II helixtrans-79137.1177.4-67.2171.7000110.5I35 E70 G73 L75I35-L37 PolarHBondContact O-N 2.78Å; L37-E70 HydrophobicContact CD1-CB 4.41Å; L37-E70 HydrophobicContact CD1-CG 4Å; L37-G73 WeakPolarHBondContact CB-O 3.29Å; L37-G73 PolarHBondContact N-O 3.09Å; L37-L75 HydrophobicContact CD1-CB 4.42Å; L37-L75 HydrophobicContact CD2-CB 3.86Å; L37-L75 HydrophobicContact CG-CB 4.16Å
38P74.8Confident77Confident43 Ų4371.6 Ų71.628%0.27935%0.35SS..PPolyproline II helixtrans-61.3142.8172.5-17.328.2000110.7S40 N43P38-S40 PolarHBondContact O-N 3.3Å; P38-N43 HydrophobicContact CB-CB 3.85Å; P38-N43 HydrophobicContact CG-CB 3.62Å
39K68.6Low76.3Confident210 Ų21069.5 Ų69.591%0.91334%0.339SS*.SBendtrans-64.5-17.1173.4-66.5-175.1177.4-175.30113.3
40S61.2Low75.6Confident56 Ų5666.4 Ų66.439%0.39232%0.324SS..SBendtrans-103.3139.5178.598.80000112.2P38 S42P38-S40 PolarHBondContact O-N 3.3Å; S40-S42 PolarHBondContact O-N 3.41Å; S40-S42 PolarHBondContact OG-OG 3.3Å
41F56.7Low75Confident190 Ų19066.3 Ų66.383%0.83333%0.325SS*.THydrogen-bonded Turntrans-65.5-16.8-178.1-88.8-91.9000115T44F41-T44 PolarHBondContact O-OG1 3.47Å
42S55.1Low74.6Confident96 Ų9669.5 Ų69.567%0.67134%0.342SS*.THydrogen-bonded Turntrans-79.9-30.1-177.658.30000113.2S40S40-S42 PolarHBondContact O-N 3.41Å; S40-S42 PolarHBondContact OG-OG 3.3Å
43N53.1Low74.2Confident88 Ų8870 Ų7047%0.47135%0.345SS..THydrogen-bonded Turntrans-93.4-12.4179.4-84.7-17.8000113.9P38 Q45 N46P38-N43 HydrophobicContact CB-CB 3.85Å; P38-N43 HydrophobicContact CG-CB 3.62Å; N43-Q45 VanDerWaalsContact C-N 3.3Å; N43-Q45 PolarHBondContact O-N 2.95Å; N43-N46 PolarHBondContact O-N 2.78Å
44T56.8Low74Confident13 Ų1368.4 Ų68.48%0.0834%0.338CS..Hα-helixtrans-63.9-32.8178.338.60000112.6F41 N46 S47 R48F41-T44 PolarHBondContact O-OG1 3.47Å; T44-N46 VanDerWaalsContact C-N 3.28Å; T44-N46 PolarHBondContact O-N 2.82Å; T44-S47 PolarHBondContact O-N 2.81Å; T44-R48 PolarHBondContact O-N 3.25Å
45Q60.4Low73.9Confident141 Ų14169.7 Ų69.766%0.65935%0.351SS*.Hα-helixtrans-62.9-31.9176.9-71.7-158.717.700113.3N43 K49N43-Q45 VanDerWaalsContact C-N 3.3Å; N43-Q45 PolarHBondContact O-N 2.95Å; Q45-K49 WeakPolarHBondContact O-CG 3.39Å
46N63.3Low74Confident78 Ų7875.2 Ų75.242%0.41737%0.374SS..Hα-helixtrans-71.1-34.5177.6-79.2-24.8000112.2N43 T44 K49N43-N46 PolarHBondContact O-N 2.78Å; T44-N46 VanDerWaalsContact C-N 3.28Å; T44-N46 PolarHBondContact O-N 2.82Å; N46-K49 PolarHBondContact O-N 2.96Å; N46-K49 WeakPolarHBondContact OD1-CE 3.25Å; N46-K49 PolarHBondContact OD1-NZ 2.81Å
47S67.4Low74.3Confident26 Ų2666.9 Ų66.918%0.18234%0.343CS..Hα-helixtrans-70.8-33.3-177.9-50.50000111.9T44 L75T44-S47 PolarHBondContact O-N 2.81Å; S47-L75 WeakPolarHBondContact O-CD2 3.28Å
48R80.8Confident74.6Confident98 Ų9874.1 Ų74.137%0.3737%0.374SS..Hα-helixtrans-77.6-16.5178-65.3173.3179.7160.6-1.9114.3T44 E50 A51 V52 E70 L75T44-R48 PolarHBondContact O-N 3.25Å; R48-E50 VanDerWaalsContact C-N 3.26Å; R48-E50 PolarHBondContact O-N 3.34Å; R48-A51 PolarHBondContact O-N 2.87Å; R48-V52 WeakPolarHBondContact O-CG2 3.46Å; R48-V52 PolarHBondContact O-N 2.99Å; R48-E70 IonicContact CZ-OE1 3.86Å; R48-E70 IonicContact CZ-OE2 2.65Å; R48-E70 IonicContact NE-OE1 3.73Å; R48-E70 PolarHBondContact NE-OE1 3.01Å; R48-E70 VanDerWaalsContact NH2-CD 3.28Å; R48-E70 IonicContact NH2-OE1 2.84Å; R48-E70 PolarHBondContact NH2-OE1 3.09Å; R48-E70 IonicContact NH2-OE2 3.42Å; R48-E70 PolarHBondContact NH2-OE2 3.05Å; R48-L75 HydrophobicContact CG-CD2 4.33Å
49K80.1Confident75.4Confident60 Ų6073 Ų7326%0.26136%0.364SS..Hα-helixtrans-60.5-35.1-177.1-80.6171.4-172.3172.90112.8Q45 N46 V52 L53Q45-K49 WeakPolarHBondContact O-CG 3.39Å; N46-K49 PolarHBondContact O-N 2.96Å; N46-K49 WeakPolarHBondContact OD1-CE 3.25Å; N46-K49 PolarHBondContact OD1-NZ 2.81Å; K49-V52 PolarHBondContact O-N 2.82Å; K49-L53 WeakPolarHBondContact O-CB 3.25Å; K49-L53 VanDerWaalsContact O-CG 3.3Å; K49-L53 WeakPolarHBondContact O-CG 3.39Å; K49-L53 PolarHBondContact O-N 2.66Å
50E82.3Confident76.5Confident10 Ų1064.1 Ų64.15%0.04733%0.329CS..Hα-helixtrans-60-53.4178.4-178.9168.7-178.300111.1K33 R48 V52 L53 L54 I77 F146 G147K33-E50 IonicContact NZ-OE1 3.89Å; K33-E50 PolarHBondContact NZ-OE1 3.32Å; K33-E50 IonicContact NZ-OE2 2.66Å; K33-E50 PolarHBondContact NZ-OE2 2.55Å; R48-E50 VanDerWaalsContact C-N 3.26Å; R48-E50 PolarHBondContact O-N 3.34Å; E50-V52 VanDerWaalsContact C-N 3.33Å; E50-V52 PolarHBondContact O-N 2.86Å; E50-L53 PolarHBondContact O-N 2.87Å; E50-L54 VanDerWaalsContact O-CB 3.3Å; E50-L54 WeakPolarHBondContact O-CB 3.1Å; E50-L54 PolarHBondContact O-N 3.16Å; E50-I77 HydrophobicContact CB-CD1 4.09Å; E50-I77 HydrophobicContact CG-CD1 3.92Å; E50-F146 HydrophobicContact CG-CB 4.03Å; E50-F146 PolarHBondContact OE1-N 2.82Å; E50-G147 VanDerWaalsContact CD-N 3.31Å; E50-G147 VanDerWaalsContact OE2-CA 3.24Å; E50-G147 WeakPolarHBondContact OE2-CA 3.47Å; E50-G147 PolarHBondContact OE2-N 3.38Å
51A83.8Confident78.1Confident6 Ų661.6 Ų61.65%0.0531%0.311CS..Hα-helixtrans-58-45.4178.600000111.5R48 L53 L54 A55 F65 I77R48-A51 PolarHBondContact O-N 2.87Å; A51-L53 PolarHBondContact O-N 2.87Å; A51-L54 PolarHBondContact O-N 3.04Å; A51-A55 VanDerWaalsContact O-CB 3.22Å; A51-A55 WeakPolarHBondContact O-CB 3.48Å; A51-A55 PolarHBondContact O-N 2.88Å; A51-F65 HydrophobicContact CB-CE2 4.37Å; A51-I77 HydrophobicContact CB-CD1 3.9Å; A51-I77 HydrophobicContact CB-CG1 4.11Å
52V86.9Confident80Confident80 Ų8052.6 Ų52.649%0.48527%0.271SS..Hα-helixtrans-63.9-40.1179.81740000112.4R48 K49 E50 K56R48-V52 WeakPolarHBondContact O-CG2 3.46Å; R48-V52 PolarHBondContact O-N 2.99Å; K49-V52 PolarHBondContact O-N 2.82Å; E50-V52 VanDerWaalsContact C-N 3.33Å; E50-V52 PolarHBondContact O-N 2.86Å; V52-K56 WeakPolarHBondContact O-CG 3.32Å
53L87.3Confident81.9Confident12 Ų1248.2 Ų48.26%0.06324%0.24CC..Hα-helixtrans-71.3-48.1177.6-72.8173.9000110.8K49 E50 A51 A55 K56 M57 V123 A149 L151K49-L53 WeakPolarHBondContact O-CB 3.25Å; K49-L53 VanDerWaalsContact O-CG 3.3Å; K49-L53 WeakPolarHBondContact O-CG 3.39Å; K49-L53 PolarHBondContact O-N 2.66Å; E50-L53 PolarHBondContact O-N 2.87Å; A51-L53 PolarHBondContact O-N 2.87Å; L53-A55 VanDerWaalsContact C-N 3.33Å; L53-A55 PolarHBondContact O-N 2.93Å; L53-K56 WeakPolarHBondContact O-CB 3.35Å; L53-K56 PolarHBondContact O-N 3.2Å; L53-M57 WeakPolarHBondContact O-CG 3.13Å; L53-M57 PolarHBondContact O-N 2.91Å; L53-V123 HydrophobicContact CD2-CG2 4.12Å; L53-A149 HydrophobicContact CD1-CB 3.9Å; L53-A149 WeakPolarHBondContact CD1-O 3.44Å; L53-L151 HydrophobicContact CD2-CD1 4.21Å; L53-L151 HydrophobicContact CD2-CD2 4.37Å; L53-L151 HydrophobicContact CD2-CG 3.92Å
54L87.6Confident83.9Confident3 Ų346.2 Ų46.22%0.01624%0.236CC..Hα-helixtrans-61.8-40.7-178.3-172.258.2000111.6E50 A51 K56 M57 I62 F65 I77 M79 F146E50-L54 VanDerWaalsContact O-CB 3.3Å; E50-L54 WeakPolarHBondContact O-CB 3.1Å; E50-L54 PolarHBondContact O-N 3.16Å; A51-L54 PolarHBondContact O-N 3.04Å; L54-K56 PolarHBondContact O-N 2.93Å; L54-K56 VanDerWaalsContact O-N 3.12Å; L54-M57 PolarHBondContact O-N 2.84Å; L54-I62 HydrophobicContact CD1-CG2 4.25Å; L54-F65 HydrophobicContact CB-CD2 4.47Å; L54-F65 HydrophobicContact CD2-CD2 4.32Å; L54-F65 HydrophobicContact CG-CB 4.09Å; L54-F65 HydrophobicContact CG-CD2 4.33Å; L54-I77 HydrophobicContact CD2-CG2 4.35Å; L54-M79 HydrophobicContact CD2-CE 4.34Å; L54-M79 HydrophobicContact CD2-SD 4.5Å; L54-F146 HydrophobicContact CD1-CD2 3.58Å; L54-F146 HydrophobicContact CD1-CE2 3.65Å; L54-F146 HydrophobicContact CD1-CG 4.21Å; L54-F146 HydrophobicContact CD1-CZ 4.34Å
55A89.8Confident85.7Confident38 Ų3848.2 Ų48.231%0.31424%0.244SC..Hα-helixtrans-59.1-24.4175.300000113.9A51 L53 F65A51-A55 VanDerWaalsContact O-CB 3.22Å; A51-A55 WeakPolarHBondContact O-CB 3.48Å; A51-A55 PolarHBondContact O-N 2.88Å; L53-A55 VanDerWaalsContact C-N 3.33Å; L53-A55 PolarHBondContact O-N 2.93Å; A55-F65 HydrophobicContact CB-CD1 3.64Å; A55-F65 HydrophobicContact CB-CD2 4.35Å; A55-F65 HydrophobicContact CB-CE1 3.73Å; A55-F65 HydrophobicContact CB-CE2 4.42Å; A55-F65 HydrophobicContact CB-CG 3.96Å; A55-F65 HydrophobicContact CB-CZ 4.11Å
56K89.4Confident87.3Confident126 Ų12645.5 Ų45.555%0.54823%0.23SC..THydrogen-bonded Turntrans-89.6-5.4177.8-67176.9-177.4-175.40113.7V52 L53 L54 K121V52-K56 WeakPolarHBondContact O-CG 3.32Å; L53-K56 WeakPolarHBondContact O-CB 3.35Å; L53-K56 PolarHBondContact O-N 3.2Å; L54-K56 PolarHBondContact O-N 2.93Å; L54-K56 VanDerWaalsContact O-N 3.12Å; K56-K121 WeakPolarHBondContact O-CE 3.34Å; K56-K121 PolarHBondContact O-NZ 3.31Å
57M90.7Very high88.8Confident6 Ų645 Ų453%0.0323%0.225CC..  trans-102.699.1-177.3-62.4-63.5166.100109.9L53 L54 I62 I118 K121 V123 F146L53-M57 WeakPolarHBondContact O-CG 3.13Å; L53-M57 PolarHBondContact O-N 2.91Å; L54-M57 PolarHBondContact O-N 2.84Å; M57-I62 HydrophobicContact CB-CD1 4.06Å; M57-I62 HydrophobicContact CB-CG2 4.07Å; M57-I62 HydrophobicContact SD-CD1 4.5Å; M57-I118 HydrophobicContact SD-CG1 4.3Å; M57-K121 HydrophobicContact CE-CB 4.08Å; M57-K121 HydrophobicContact CE-CD 4Å; M57-K121 HydrophobicContact SD-CD 3.55Å; M57-K121 VanDerWaalsContact SD-CD 3.55Å; M57-V123 HydrophobicContact CE-CB 3.81Å; M57-V123 HydrophobicContact CE-CG1 4.11Å; M57-V123 HydrophobicContact CE-CG2 3.5Å; M57-V123 VanDerWaalsContact CE-CG2 3.5Å; M57-F146 HydrophobicContact CG-CE1 3.84Å; M57-F146 HydrophobicContact CG-CZ 4.19Å
58K90.7Very high90Very high177 Ų17746.2 Ų46.277%0.7723%0.233SC*.  trans-112.9102176.7-65.5-174.9-179.8-176.70108.6H117K58-H117 PolarHBondContact O-CE1 3.08Å; K58-H117 PolarHBondContact O-NE2 3.48Å
59H91.6Very high90.6Very high18 Ų1844 Ų448%0.08323%0.227CC..  trans-158.3144.9-178.4-172.1-95.3000111.2N61 I62 H117H59-N61 PolarHBondContact CE1-OD1 3.26Å; H59-N61 PolarHBondContact ND1-N 3.37Å; H59-N61 PolarHBondContact O-N 2.84Å; H59-N61 VanDerWaalsContact O-N 3.15Å; H59-I62 HydrophobicContact CB-CB 4.26Å; H59-I62 HydrophobicContact CB-CD1 3.82Å; H59-I62 HydrophobicContact CB-CG1 3.98Å; H59-I62 PolarHBondContact O-N 3.49Å; H59-I62 VanDerWaalsContact O-N 3.07Å; H59-I62 VanDerWaalsContact O-O 3.13Å; H59-H117 HydrophobicContact CB-CB 4.36Å; H59-H117 AromaticContact CD2-CG 3.9Å; H59-H117 AromaticContact CD2-ND1 3.68Å; H59-H117 AromaticContact CG-CG 3.97Å
60P92.1Very high91.1Very high25 Ų2545.6 Ų45.616%0.16224%0.235CC..THydrogen-bonded Turntrans-58.5-31.2-178.6-28.236.8000114.3K142 I269P60-K142 WeakPolarHBondContact O-CD 3.45Å; P60-K142 WeakPolarHBondContact O-CE 3.21Å; P60-K142 PolarHBondContact O-NZ 3.49Å; P60-I269 HydrophobicContact CG-CD1 3.07Å; P60-I269 HydrophobicContact CG-CG1 4.39Å; P60-I269 HydrophobicContact CG-CG2 4.36Å
61N94.9Very high91.5Very high2 Ų246.5 Ų46.51%0.01124%0.244CC..THydrogen-bonded Turntrans-98.617.7-179.2-53.5116000114H59 Q110 V141 L143H59-N61 PolarHBondContact CE1-OD1 3.26Å; H59-N61 PolarHBondContact ND1-N 3.37Å; H59-N61 PolarHBondContact O-N 2.84Å; H59-N61 VanDerWaalsContact O-N 3.15Å; N61-Q110 VanDerWaalsContact CB-O 3.25Å; N61-Q110 WeakPolarHBondContact CB-O 3.45Å; N61-Q110 WeakPolarHBondContact ND2-CB 3.23Å; N61-Q110 PolarHBondContact ND2-OE1 2.7Å; N61-Q110 VanDerWaalsContact ND2-OE1 3.08Å; N61-Q110 PolarHBondContact OD1-O 3.48Å; N61-V141 VanDerWaalsContact CA-O 3.24Å; N61-V141 WeakPolarHBondContact CA-O 3.45Å; N61-V141 WeakPolarHBondContact CB-O 3.08Å; N61-V141 PolarHBondContact ND2-O 3.41Å; N61-L143 WeakPolarHBondContact O-CB 3.31Å; N61-L143 WeakPolarHBondContact O-CD1 3.27Å; N61-L143 PolarHBondContact O-N 3.1Å
62I95.5Very high91.6Very high2 Ų254 Ų541%0.0128%0.278CS..BIsolated β-bridgetrans-120.7140.1169.9-60175.2000107L54 M57 H59 A64 H117 I118 L143 F146L54-I62 HydrophobicContact CD1-CG2 4.25Å; M57-I62 HydrophobicContact CB-CD1 4.06Å; M57-I62 HydrophobicContact CB-CG2 4.07Å; M57-I62 HydrophobicContact SD-CD1 4.5Å; H59-I62 HydrophobicContact CB-CB 4.26Å; H59-I62 HydrophobicContact CB-CD1 3.82Å; H59-I62 HydrophobicContact CB-CG1 3.98Å; H59-I62 PolarHBondContact O-N 3.49Å; H59-I62 VanDerWaalsContact O-N 3.07Å; H59-I62 VanDerWaalsContact O-O 3.13Å; I62-A64 PolarHBondContact O-N 2.97Å; I62-H117 HydrophobicContact CD1-CB 4.37Å; I62-I118 HydrophobicContact CD1-CD1 4.16Å; I62-I118 HydrophobicContact CD1-CG1 3.72Å; I62-L143 WeakPolarHBondContact CA-O 3.3Å; I62-L143 HydrophobicContact CG1-CB 4.5Å; I62-F146 HydrophobicContact CG2-CE2 3.73Å; I62-F146 HydrophobicContact CG2-CZ 3.65Å
63V95.3Very high91.6Very high4 Ų452.4 Ų52.42%0.02428%0.279CS..PPolyproline II helixtrans-56.7124.9174.1174.40000108.8F65 M79 E80 F134 K142 L143V63-F65 PolarHBondContact O-N 2.74Å; V63-M79 HydrophobicContact CG1-CB 3.86Å; V63-M79 HydrophobicContact CG1-CG 3.86Å; V63-M79 HydrophobicContact CG1-SD 4.02Å; V63-E80 HydrophobicContact CG1-CB 4.11Å; V63-F134 HydrophobicContact CG2-CD2 3.93Å; V63-F134 HydrophobicContact CG2-CE2 4.49Å; V63-K142 HydrophobicContact CG2-CB 3.82Å; V63-L143 WeakPolarHBondContact CG2-O 3.47Å; V63-L143 PolarHBondContact N-O 3.35Å
64A94.6Very high91.7Very high46 Ų4654 Ų5438%0.3829%0.286SS..PPolyproline II helixtrans-72.8130.3-176.500000111.7I62 M79 E80I62-A64 PolarHBondContact O-N 2.97Å; A64-M79 CarbonylContact O-C 3.54Å; A64-M79 VanDerWaalsContact O-CA 3.28Å; A64-M79 WeakPolarHBondContact O-CA 3.08Å; A64-M79 WeakPolarHBondContact O-CB 3.18Å; A64-E80 HydrophobicContact CB-CB 4.05Å; A64-E80 PolarHBondContact N-OE2 2.87Å; A64-E80 VanDerWaalsContact N-OE2 3.09Å; A64-E80 PolarHBondContact O-N 3.19Å
65F94.8Very high91.9Very high55 Ų5554.1 Ų54.124%0.24129%0.286CS..EExtended strand (participates in β ladder)trans-69.6134.2166.4-177.6-103.4000110.1A51 L54 A55 V63 E67 I77A51-F65 HydrophobicContact CB-CE2 4.37Å; L54-F65 HydrophobicContact CB-CD2 4.47Å; L54-F65 HydrophobicContact CD2-CD2 4.32Å; L54-F65 HydrophobicContact CG-CB 4.09Å; L54-F65 HydrophobicContact CG-CD2 4.33Å; A55-F65 HydrophobicContact CB-CD1 3.64Å; A55-F65 HydrophobicContact CB-CD2 4.35Å; A55-F65 HydrophobicContact CB-CE1 3.73Å; A55-F65 HydrophobicContact CB-CE2 4.42Å; A55-F65 HydrophobicContact CB-CG 3.96Å; A55-F65 HydrophobicContact CB-CZ 4.11Å; V63-F65 PolarHBondContact O-N 2.74Å; F65-E67 WeakPolarHBondContact CE2-O 3.49Å; F65-E67 VanDerWaalsContact CZ-CA 3.44Å; F65-I77 HydrophobicContact CD2-CG2 4.12Å; F65-I77 HydrophobicContact CE2-CG2 3.98Å
66K94.9Very high92Very high84 Ų8452.4 Ų52.437%0.36527%0.271SS..EExtended strand (participates in β ladder)trans-101.1-62.8167.5176.7139176.7177.50110.6F30 V78F30-K66 HydrophobicContact CD1-CD 4.12Å; F30-K66 HydrophobicContact CE1-CD 3.43Å; F30-K66 VanDerWaalsContact CE1-CD 3.43Å; F30-K66 HydrophobicContact CE2-CD 4.21Å; F30-K66 HydrophobicContact CZ-CD 3.48Å; F30-K66 VanDerWaalsContact CZ-CD 3.48Å; F30-K66 VanDerWaalsContact CZ-NZ 3.31Å; K66-V78 HydrophobicContact CB-CB 4.38Å; K66-V78 HydrophobicContact CB-CG1 4.2Å; K66-V78 WeakPolarHBondContact CB-O 3.35Å; K66-V78 HydrophobicContact CG-CG1 4.48Å; K66-V78 PolarHBondContact N-O 3.26Å
67E94.4Very high92.2Very high67 Ų6746.4 Ų46.431%0.31325%0.245SC..EExtended strand (participates in β ladder)trans-161.1173.1-177.365.9-175.8119.100111.7Y4 F65 V78Y4-E67 PolarHBondContact OH-OE1 3.12Å; F65-E67 WeakPolarHBondContact CE2-O 3.49Å; F65-E67 VanDerWaalsContact CZ-CA 3.44Å; E67-V78 HydrophobicContact CG-CB 3.9Å; E67-V78 HydrophobicContact CG-CG2 3.93Å; E67-V78 PolarHBondContact N-O 3.09Å; E67-V78 PolarHBondContact O-N 2.88Å
68S93.4Very high92.4Very high51 Ų5146.1 Ų46.136%0.35724%0.244SC..EExtended strand (participates in β ladder)trans-147143170.361.80000111Y76S68-Y76 CarbonylContact C-O 3.55Å; S68-Y76 WeakPolarHBondContact CA-O 3.5Å; S68-Y76 VanDerWaalsContact CB-O 3.23Å; S68-Y76 WeakPolarHBondContact CB-O 3.43Å
69F92.1Very high92.6Very high52 Ų5238.7 Ų38.723%0.22821%0.212CC..EExtended strand (participates in β ladder)trans-145.5161179.255-95.3000111Y4 M32 Y76 V78Y4-F69 HydrophobicContact CD2-CE1 4.34Å; Y4-F69 HydrophobicContact CD2-CZ 4.48Å; Y4-F69 HydrophobicContact CE2-CE1 4.24Å; M32-F69 HydrophobicContact CE-CE1 4.27Å; M32-F69 HydrophobicContact CE-CZ 3.77Å; M32-F69 HydrophobicContact SD-CZ 4.41Å; F69-Y76 AromaticContact CD2-CD2 3.79Å; F69-Y76 HydrophobicContact CD2-CD2 3.79Å; F69-Y76 HydrophobicContact CD2-CG 4.17Å; F69-Y76 AromaticContact CE2-CD2 3.52Å; F69-Y76 HydrophobicContact CE2-CD2 3.52Å; F69-Y76 HydrophobicContact CE2-CE2 4.36Å; F69-Y76 AromaticContact CE2-CG 3.62Å; F69-Y76 HydrophobicContact CE2-CG 3.62Å; F69-Y76 HydrophobicContact CZ-CD2 4.43Å; F69-Y76 HydrophobicContact CZ-CG 4.1Å; F69-Y76 PolarHBondContact N-O 3.07Å; F69-Y76 PolarHBondContact O-N 3.42Å; F69-V78 HydrophobicContact CE1-CG2 3.81Å
70E91.1Very high92.8Very high93 Ų9340.3 Ų40.344%0.43522%0.22SC..EExtended strand (participates in β ladder)trans-112130.6177.5-64.2-176.1-17500109.8L37 R48 H74 L75L37-E70 HydrophobicContact CD1-CB 4.41Å; L37-E70 HydrophobicContact CD1-CG 4Å; R48-E70 IonicContact CZ-OE1 3.86Å; R48-E70 IonicContact CZ-OE2 2.65Å; R48-E70 IonicContact NE-OE1 3.73Å; R48-E70 PolarHBondContact NE-OE1 3.01Å; R48-E70 VanDerWaalsContact NH2-CD 3.28Å; R48-E70 IonicContact NH2-OE1 2.84Å; R48-E70 PolarHBondContact NH2-OE1 3.09Å; R48-E70 IonicContact NH2-OE2 3.42Å; R48-E70 PolarHBondContact NH2-OE2 3.05Å; E70-H74 CarbonylContact C-O 3.57Å; E70-H74 VanDerWaalsContact CA-O 3.25Å; E70-H74 WeakPolarHBondContact CA-O 3.43Å; E70-L75 HydrophobicContact CG-CB 4.48Å; E70-L75 HydrophobicContact CG-CD1 3.93Å
71A89.7Confident92.9Very high30 Ų3042 Ų4225%0.24822%0.224CC..EExtended strand (participates in β ladder)trans-150.3144.2175.300000109.7G73 H74 Y76A71-G73 PolarHBondContact O-N 3.2Å; A71-H74 PolarHBondContact N-O 3.19Å; A71-H74 PolarHBondContact O-N 3.27Å; A71-Y76 HydrophobicContact CB-CD2 4.41Å; A71-Y76 HydrophobicContact CB-CE2 3.92Å; A71-Y76 WeakPolarHBondContact O-CE2 3.41Å
72E87.8Confident92.9Very high162 Ų16242.4 Ų42.476%0.75723%0.226SC*.THydrogen-bonded Turntrans52.235.9172.6-57.2178.7-170.600114.3H74E72-H74 VanDerWaalsContact C-N 3.31Å; E72-H74 PolarHBondContact O-CE1 2.93Å; E72-H74 PolarHBondContact O-N 3.4Å; E72-H74 PolarHBondContact O-ND1 3.12Å
73G86.7Confident92.8Very high48 Ų4845.5 Ų45.550%0.49524%0.243SC..THydrogen-bonded Turntrans74.216.6-17900000115.1L37 A71L37-G73 WeakPolarHBondContact CB-O 3.29Å; L37-G73 PolarHBondContact N-O 3.09Å; A71-G73 PolarHBondContact O-N 3.2Å
74H89.6Confident92.7Very high46 Ų4646 Ų4621%0.21325%0.249CC..EExtended strand (participates in β ladder)trans-123.2148.9176.8-60.583.9000110.9E34 I35 E70 A71 E72 Y76E34-H74 HydrophobicContact CG-CB 4.12Å; E34-H74 IonicContact OE1-CD2 3.79Å; I35-H74 CarbonylContact O-C 3.52Å; I35-H74 WeakPolarHBondContact O-CA 3.27Å; E70-H74 CarbonylContact C-O 3.57Å; E70-H74 VanDerWaalsContact CA-O 3.25Å; E70-H74 WeakPolarHBondContact CA-O 3.43Å; A71-H74 PolarHBondContact N-O 3.19Å; A71-H74 PolarHBondContact O-N 3.27Å; E72-H74 VanDerWaalsContact C-N 3.31Å; E72-H74 PolarHBondContact O-CE1 2.93Å; E72-H74 PolarHBondContact O-N 3.4Å; E72-H74 PolarHBondContact O-ND1 3.12Å; H74-Y76 HydrophobicContact CB-CD2 4.41Å; H74-Y76 HydrophobicContact CB-CE1 4.49Å; H74-Y76 HydrophobicContact CB-CE2 3.66Å
75L90.6Very high92.7Very high5 Ų544.7 Ų44.73%0.02624%0.24CC..EExtended strand (participates in β ladder)trans-96.7126.6165.2171.667.3000108.2I35 L37 S47 R48 E70 I77I35-L75 HydrophobicContact CB-CB 4.41Å; I35-L75 PolarHBondContact N-O 3.28Å; I35-L75 PolarHBondContact O-N 3.08Å; L37-L75 HydrophobicContact CD1-CB 4.42Å; L37-L75 HydrophobicContact CD2-CB 3.86Å; L37-L75 HydrophobicContact CG-CB 4.16Å; S47-L75 WeakPolarHBondContact O-CD2 3.28Å; R48-L75 HydrophobicContact CG-CD2 4.33Å; E70-L75 HydrophobicContact CG-CB 4.48Å; E70-L75 HydrophobicContact CG-CD1 3.93Å; L75-I77 HydrophobicContact CD2-CD1 4.37Å; L75-I77 HydrophobicContact CD2-CG1 4.37Å; L75-I77 HydrophobicContact CG-CG1 4.21Å
76Y92.7Very high92.7Very high1 Ų142.7 Ų42.70%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-106.2130.2175-60.5-87.8000109.1M1 M32 K33 E34 S68 F69 A71 H74M1-Y76 HydrophobicContact CE-CE1 3.54Å; M1-Y76 VanDerWaalsContact CE-OH 3.23Å; M1-Y76 WeakPolarHBondContact CE-OH 3.31Å; M32-Y76 HydrophobicContact CG-CD1 4.01Å; M32-Y76 HydrophobicContact SD-CD1 3.56Å; M32-Y76 VanDerWaalsContact SD-CD1 3.56Å; M32-Y76 HydrophobicContact SD-CE1 4.32Å; M32-Y76 HydrophobicContact SD-CG 4.23Å; K33-Y76 CarbonylContact O-C 3.56Å; K33-Y76 WeakPolarHBondContact O-CA 3.49Å; E34-Y76 HydrophobicContact CB-CD1 4.01Å; E34-Y76 HydrophobicContact CB-CE1 3.84Å; E34-Y76 HydrophobicContact CG-CD1 4.19Å; E34-Y76 HydrophobicContact CG-CE1 3.59Å; S68-Y76 CarbonylContact C-O 3.55Å; S68-Y76 WeakPolarHBondContact CA-O 3.5Å; S68-Y76 VanDerWaalsContact CB-O 3.23Å; S68-Y76 WeakPolarHBondContact CB-O 3.43Å; F69-Y76 AromaticContact CD2-CD2 3.79Å; F69-Y76 HydrophobicContact CD2-CD2 3.79Å; F69-Y76 HydrophobicContact CD2-CG 4.17Å; F69-Y76 AromaticContact CE2-CD2 3.52Å; F69-Y76 HydrophobicContact CE2-CD2 3.52Å; F69-Y76 HydrophobicContact CE2-CE2 4.36Å; F69-Y76 AromaticContact CE2-CG 3.62Å; F69-Y76 HydrophobicContact CE2-CG 3.62Å; F69-Y76 HydrophobicContact CZ-CD2 4.43Å; F69-Y76 HydrophobicContact CZ-CG 4.1Å; F69-Y76 PolarHBondContact N-O 3.07Å; F69-Y76 PolarHBondContact O-N 3.42Å; A71-Y76 HydrophobicContact CB-CD2 4.41Å; A71-Y76 HydrophobicContact CB-CE2 3.92Å; A71-Y76 WeakPolarHBondContact O-CE2 3.41Å; H74-Y76 HydrophobicContact CB-CD2 4.41Å; H74-Y76 HydrophobicContact CB-CE1 4.49Å; H74-Y76 HydrophobicContact CB-CE2 3.66Å
77I93.4Very high92.8Very high0 Ų038.7 Ų38.70%022%0.215CC..EExtended strand (participates in β ladder)trans-117.8111.8174.9-51.8179.5000107.4M32 K33 I35 E50 A51 L54 F65 L75 M79M32-I77 WeakPolarHBondContact CA-O 3.35Å; K33-I77 HydrophobicContact CB-CB 4.36Å; K33-I77 PolarHBondContact N-O 3.43Å; K33-I77 PolarHBondContact O-N 2.82Å; I35-I77 HydrophobicContact CD1-CD1 3.8Å; E50-I77 HydrophobicContact CB-CD1 4.09Å; E50-I77 HydrophobicContact CG-CD1 3.92Å; A51-I77 HydrophobicContact CB-CD1 3.9Å; A51-I77 HydrophobicContact CB-CG1 4.11Å; L54-I77 HydrophobicContact CD2-CG2 4.35Å; F65-I77 HydrophobicContact CD2-CG2 4.12Å; F65-I77 HydrophobicContact CE2-CG2 3.98Å; L75-I77 HydrophobicContact CD2-CD1 4.37Å; L75-I77 HydrophobicContact CD2-CG1 4.37Å; L75-I77 HydrophobicContact CG-CG1 4.21Å; I77-M79 HydrophobicContact CB-CE 4.04Å; I77-M79 HydrophobicContact CG2-CE 3.71Å
78V95.1Very high92.8Very high0 Ų037.6 Ų37.60%021%0.21CC..EExtended strand (participates in β ladder)trans-93.1128.1178.3-171.70000109.1Y4 F30 M32 K66 E67 F69Y4-V78 HydrophobicContact CE1-CG1 3.96Å; Y4-V78 HydrophobicContact CE2-CG2 4.21Å; F30-V78 HydrophobicContact CB-CG1 3.66Å; F30-V78 HydrophobicContact CD1-CG1 4.18Å; F30-V78 HydrophobicContact CG-CG1 3.86Å; M32-V78 HydrophobicContact CE-CG2 3.82Å; M32-V78 HydrophobicContact CG-CG2 4.35Å; K66-V78 HydrophobicContact CB-CB 4.38Å; K66-V78 HydrophobicContact CB-CG1 4.2Å; K66-V78 WeakPolarHBondContact CB-O 3.35Å; K66-V78 HydrophobicContact CG-CG1 4.48Å; K66-V78 PolarHBondContact N-O 3.26Å; E67-V78 HydrophobicContact CG-CB 3.9Å; E67-V78 HydrophobicContact CG-CG2 3.93Å; E67-V78 PolarHBondContact N-O 3.09Å; E67-V78 PolarHBondContact O-N 2.88Å; F69-V78 HydrophobicContact CE1-CG2 3.81Å
79M95.3Very high92.9Very high22 Ų2239.7 Ų39.711%0.10821%0.214CC..EExtended strand (participates in β ladder)trans-144.4164.5-174.468.9-1697600111.8F30 A31 K33 L54 V63 A64 I77 Y81F30-M79 WeakPolarHBondContact CB-O 3.38Å; A31-M79 HydrophobicContact CB-CG 3.87Å; A31-M79 PolarHBondContact N-O 2.84Å; A31-M79 WeakPolarHBondContact O-CG 3.22Å; A31-M79 PolarHBondContact O-N 3.04Å; K33-M79 HydrophobicContact CB-CE 3.84Å; L54-M79 HydrophobicContact CD2-CE 4.34Å; L54-M79 HydrophobicContact CD2-SD 4.5Å; V63-M79 HydrophobicContact CG1-CB 3.86Å; V63-M79 HydrophobicContact CG1-CG 3.86Å; V63-M79 HydrophobicContact CG1-SD 4.02Å; A64-M79 CarbonylContact O-C 3.54Å; A64-M79 VanDerWaalsContact O-CA 3.28Å; A64-M79 WeakPolarHBondContact O-CA 3.08Å; A64-M79 WeakPolarHBondContact O-CB 3.18Å; I77-M79 HydrophobicContact CB-CE 4.04Å; I77-M79 HydrophobicContact CG2-CE 3.71Å; M79-Y81 PolarHBondContact O-N 2.95Å
80E94.9Very high93.1Very high52 Ų5240.2 Ų40.224%0.24322%0.216CC..EExtended strand (participates in β ladder)trans-51.2127.7175.3177.2-176.8-165.800111.4V63 A64 K142V63-E80 HydrophobicContact CG1-CB 4.11Å; A64-E80 HydrophobicContact CB-CB 4.05Å; A64-E80 PolarHBondContact N-OE2 2.87Å; A64-E80 VanDerWaalsContact N-OE2 3.09Å; A64-E80 PolarHBondContact O-N 3.19Å; E80-K142 VanDerWaalsContact CD-NZ 3.27Å; E80-K142 WeakPolarHBondContact OE1-CE 3.38Å; E80-K142 IonicContact OE1-NZ 2.86Å; E80-K142 PolarHBondContact OE1-NZ 3.06Å; E80-K142 WeakPolarHBondContact OE2-CE 3.22Å; E80-K142 IonicContact OE2-NZ 3.15Å; E80-K142 PolarHBondContact OE2-NZ 2.58Å
81Y95.2Very high93.3Very high61 Ų6136.4 Ų36.424%0.23920%0.199CC..  trans-83.8123.2171.7176.7-119000110.6I10 L20 M29 A31 M79 D83I10-Y81 HydrophobicContact CD1-CD2 4.28Å; I10-Y81 HydrophobicContact CD1-CE2 4.21Å; L20-Y81 HydrophobicContact CD1-CD1 3.75Å; L20-Y81 HydrophobicContact CD1-CD2 3.75Å; L20-Y81 HydrophobicContact CD1-CE1 3.89Å; L20-Y81 HydrophobicContact CD1-CE2 3.89Å; L20-Y81 HydrophobicContact CD1-CG 3.68Å; M29-Y81 HydrophobicContact CB-CD1 4.22Å; A31-Y81 HydrophobicContact CB-CD2 4.44Å; M79-Y81 PolarHBondContact O-N 2.95Å; Y81-D83 HydrophobicContact CD1-CB 4.24Å; Y81-D83 HydrophobicContact CE1-CB 3.81Å
82C94.9Very high93.6Very high10 Ų1042 Ų427%0.06822%0.217CC..  trans-96.9103.1175.9-62.70000109.9G84 F134 L135C82-G84 VanDerWaalsContact C-N 3.31Å; C82-G84 PolarHBondContact O-N 3.23Å; C82-F134 HydrophobicContact CB-CB 3.46Å; C82-F134 VanDerWaalsContact CB-CB 3.46Å; C82-F134 HydrophobicContact CB-CG 4.19Å; C82-L135 CarbonylContact C-O 3.6Å; C82-L135 WeakPolarHBondContact CB-O 3.25Å
83D92.5Very high94Very high66 Ų6639.6 Ų39.635%0.35321%0.206SC..THydrogen-bonded Turntrans-77.5-8.1-171.161-11.1000115.4Y81 T136 Q137Y81-D83 HydrophobicContact CD1-CB 4.24Å; Y81-D83 HydrophobicContact CE1-CB 3.81Å; D83-T136 WeakPolarHBondContact OD1-CA 3.38Å; D83-Q137 HydrophobicContact CB-CG 4.38Å; D83-Q137 VanDerWaalsContact CG-CG 3.47Å; D83-Q137 PolarHBondContact OD1-N 3.32Å; D83-Q137 WeakPolarHBondContact OD2-CG 3.32Å; D83-Q137 PolarHBondContact OD2-NE2 3.19Å
84G93.8Very high94.5Very high15 Ų1539.8 Ų39.816%0.15519%0.194CC..THydrogen-bonded Turntrans-86.3-1.117700000114.7C82 K90 L135C82-G84 VanDerWaalsContact C-N 3.31Å; C82-G84 PolarHBondContact O-N 3.23Å; G84-K90 WeakPolarHBondContact O-CE 3.31Å; G84-L135 CarbonylContact C-O 3.55Å; G84-L135 WeakPolarHBondContact CA-O 3.44Å; G84-L135 PolarHBondContact N-O 3.07Å
85G93.8Very high94.7Very high19 Ų1947.1 Ų47.120%0.19623%0.226CC..  trans76.5-165-175.800000113.1F134 L135G85-F134 CarbonylContact O-C 3.56Å; G85-F134 WeakPolarHBondContact O-CA 3.48Å; G85-L135 PolarHBondContact O-N 3.32Å
86D95Very high94.9Very high13 Ų1349.7 Ų49.77%0.0725%0.253CS..BIsolated β-bridgetrans-105.2161179.267.769.3000113.1M88 Q89 K90 K131 I133 F134D86-M88 VanDerWaalsContact C-N 3.26Å; D86-M88 PolarHBondContact O-N 2.83Å; D86-M88 WeakPolarHBondContact OD1-CA 3.17Å; D86-M88 WeakPolarHBondContact OD1-CB 3.47Å; D86-M88 PolarHBondContact OD1-N 2.77Å; D86-Q89 WeakPolarHBondContact O-CB 3.29Å; D86-Q89 PolarHBondContact O-N 2.84Å; D86-Q89 PolarHBondContact OD1-N 2.88Å; D86-Q89 VanDerWaalsContact OD2-CD 3.26Å; D86-Q89 WeakPolarHBondContact OD2-CG 3.47Å; D86-Q89 PolarHBondContact OD2-NE2 3.41Å; D86-K90 PolarHBondContact O-N 3.48Å; D86-K90 VanDerWaalsContact O-N 3.09Å; D86-K131 WeakPolarHBondContact CB-O 3.3Å; D86-I133 CarbonylContact C-O 3.57Å; D86-I133 VanDerWaalsContact CA-O 3.31Å; D86-I133 WeakPolarHBondContact CA-O 3.28Å; D86-F134 HydrophobicContact CB-CD1 4.06Å; D86-F134 HydrophobicContact CB-CE1 4.25Å
87L96.5Very high95.2Very high0 Ų057.1 Ų57.10%029%0.285CS..Hα-helixtrans-63.3-30-179.3-74.7-173.4000112.8Q89 K90 I91 W107 M111 S130 I133 L135 I191 L195L87-Q89 VanDerWaalsContact C-N 3.33Å; L87-K90 PolarHBondContact O-N 3.41Å; L87-I91 WeakPolarHBondContact O-CB 3.5Å; L87-I91 WeakPolarHBondContact O-CD1 3.28Å; L87-I91 VanDerWaalsContact O-CG1 3.28Å; L87-I91 WeakPolarHBondContact O-CG1 3.39Å; L87-I91 PolarHBondContact O-N 3.33Å; L87-W107 HydrophobicContact CD2-CD2 4.28Å; L87-W107 HydrophobicContact CD2-CE3 4.1Å; L87-W107 HydrophobicContact CD2-CH2 4.49Å; L87-W107 HydrophobicContact CD2-CZ3 4.23Å; L87-M111 HydrophobicContact CD1-CE 4.37Å; L87-M111 HydrophobicContact CD1-SD 4.01Å; L87-S130 WeakPolarHBondContact CB-O 3.49Å; L87-S130 PolarHBondContact N-O 3.26Å; L87-I133 HydrophobicContact CB-CB 4.36Å; L87-I133 HydrophobicContact CD1-CB 3.76Å; L87-I133 HydrophobicContact CD1-CG1 4.36Å; L87-I133 HydrophobicContact CD1-CG2 3.45Å; L87-I133 VanDerWaalsContact CD1-CG2 3.45Å; L87-I133 HydrophobicContact CG-CB 3.94Å; L87-I133 HydrophobicContact CG-CG2 3.77Å; L87-I133 PolarHBondContact N-O 3.02Å; L87-L135 HydrophobicContact CD2-CD1 3.87Å; L87-L135 HydrophobicContact CD2-CD2 4.11Å; L87-L135 HydrophobicContact CD2-CG 4Å; L87-I191 HydrophobicContact CD1-CG2 3.98Å; L87-L195 HydrophobicContact CD1-CD1 4.43Å; L87-L195 HydrophobicContact CD1-CD2 4.44Å; L87-L195 HydrophobicContact CD2-CD2 4.42Å
88M95.2Very high95.4Very high44 Ų4459.9 Ų59.922%0.21730%0.3CS..Hα-helixtrans-63-43.8175.5-176.4-174.2-77.200110.4D86 I91 K92 S130 K131D86-M88 VanDerWaalsContact C-N 3.26Å; D86-M88 PolarHBondContact O-N 2.83Å; D86-M88 WeakPolarHBondContact OD1-CA 3.17Å; D86-M88 WeakPolarHBondContact OD1-CB 3.47Å; D86-M88 PolarHBondContact OD1-N 2.77Å; M88-I91 PolarHBondContact O-N 3.29Å; M88-K92 HydrophobicContact CG-CD 4.48Å; M88-K92 WeakPolarHBondContact O-CG 3.24Å; M88-K92 PolarHBondContact O-N 3.19Å; M88-S130 WeakPolarHBondContact CB-OG 3.34Å; M88-S130 PolarHBondContact N-O 2.72Å; M88-K131 HydrophobicContact CB-CB 4.49Å; M88-K131 HydrophobicContact CE-CB 4.1Å
89Q95.1Very high95.5Very high94 Ų9460.1 Ų60.144%0.43930%0.301SS..Hα-helixtrans-61.6-44174.3-66.5175.722.400111.2D86 L87 I91 K92 Q93D86-Q89 WeakPolarHBondContact O-CB 3.29Å; D86-Q89 PolarHBondContact O-N 2.84Å; D86-Q89 PolarHBondContact OD1-N 2.88Å; D86-Q89 VanDerWaalsContact OD2-CD 3.26Å; D86-Q89 WeakPolarHBondContact OD2-CG 3.47Å; D86-Q89 PolarHBondContact OD2-NE2 3.41Å; L87-Q89 VanDerWaalsContact C-N 3.33Å; Q89-I91 PolarHBondContact O-N 3.2Å; Q89-K92 PolarHBondContact O-N 3.48Å; Q89-Q93 VanDerWaalsContact O-CG 3.25Å; Q89-Q93 WeakPolarHBondContact O-CG 3.42Å; Q89-Q93 PolarHBondContact O-N 2.83Å
90K95.7Very high95.6Very high63 Ų6363.1 Ų63.127%0.27432%0.322SS..Hα-helixtrans-61.5-42.4177-69.5-61.3179.9-172.90113.3G84 D86 L87 K92 Q93 Q94 F99 L135G84-K90 WeakPolarHBondContact O-CE 3.31Å; D86-K90 PolarHBondContact O-N 3.48Å; D86-K90 VanDerWaalsContact O-N 3.09Å; L87-K90 PolarHBondContact O-N 3.41Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K90-Q93 PolarHBondContact O-N 3.47Å; K90-Q94 PolarHBondContact O-N 3.38Å; K90-F99 HydrophobicContact CB-CZ 4.31Å; K90-L135 HydrophobicContact CD-CD1 4.23Å; K90-L135 HydrophobicContact CG-CD1 3.61Å
91I96.9Very high95.7Very high14 Ų1462.3 Ų62.37%0.07232%0.318CS..Hα-helixtrans-60.6-45.3175.6-72.4157.7000110.3L87 M88 Q89 Q93 Q94 F99 E194 L195 L198L87-I91 WeakPolarHBondContact O-CB 3.5Å; L87-I91 WeakPolarHBondContact O-CD1 3.28Å; L87-I91 VanDerWaalsContact O-CG1 3.28Å; L87-I91 WeakPolarHBondContact O-CG1 3.39Å; L87-I91 PolarHBondContact O-N 3.33Å; M88-I91 PolarHBondContact O-N 3.29Å; Q89-I91 PolarHBondContact O-N 3.2Å; I91-Q93 VanDerWaalsContact C-N 3.32Å; I91-Q93 PolarHBondContact O-N 3.42Å; I91-Q94 WeakPolarHBondContact O-CB 3.43Å; I91-Q94 PolarHBondContact O-N 3.44Å; I91-F99 HydrophobicContact CG1-CE2 4.08Å; I91-E194 HydrophobicContact CD1-CB 3.81Å; I91-L195 HydrophobicContact CD1-CD2 4.22Å; I91-L195 HydrophobicContact CG1-CD2 4.15Å; I91-L198 HydrophobicContact CG2-CB 4.09Å; I91-L198 HydrophobicContact CG2-CD2 3.99Å
92K95.6Very high95.7Very high147 Ų14765.4 Ų65.464%0.63934%0.339SS*.Hα-helixtrans-62.9-37.7177.6-72.6175179.1177.40112.7M88 Q89 K90 Q94 K95M88-K92 HydrophobicContact CG-CD 4.48Å; M88-K92 WeakPolarHBondContact O-CG 3.24Å; M88-K92 PolarHBondContact O-N 3.19Å; Q89-K92 PolarHBondContact O-N 3.48Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K92-Q94 PolarHBondContact O-N 2.84Å; K92-K95 PolarHBondContact O-N 2.88Å
93Q96.4Very high95.7Very high112 Ų11268.8 Ų68.852%0.52336%0.355SS..Hα-helixtrans-66.1-19.9-179.8-74.9168.47.800113.6Q89 K90 I91 K95Q89-Q93 VanDerWaalsContact O-CG 3.25Å; Q89-Q93 WeakPolarHBondContact O-CG 3.42Å; Q89-Q93 PolarHBondContact O-N 2.83Å; K90-Q93 PolarHBondContact O-N 3.47Å; I91-Q93 VanDerWaalsContact C-N 3.32Å; I91-Q93 PolarHBondContact O-N 3.42Å; Q93-K95 PolarHBondContact O-N 2.91Å
94Q96.6Very high96Very high51 Ų5165.7 Ų65.724%0.23834%0.338CS..THydrogen-bonded Turntrans-66.7-21.7178.6-76.3-51-38.800114.4K90 I91 K92 G96 K97 F99 L198K90-Q94 PolarHBondContact O-N 3.38Å; I91-Q94 WeakPolarHBondContact O-CB 3.43Å; I91-Q94 PolarHBondContact O-N 3.44Å; K92-Q94 PolarHBondContact O-N 2.84Å; Q94-G96 PolarHBondContact O-N 3.45Å; Q94-K97 VanDerWaalsContact CB-O 3.22Å; Q94-K97 WeakPolarHBondContact CB-O 3.42Å; Q94-K97 WeakPolarHBondContact CG-O 3.5Å; Q94-K97 WeakPolarHBondContact O-CB 3.38Å; Q94-K97 PolarHBondContact O-N 3.44Å; Q94-K97 PolarHBondContact OE1-O 3.46Å; Q94-K97 VanDerWaalsContact OE1-O 3.12Å; Q94-F99 HydrophobicContact CG-CD1 4.28Å; Q94-F99 HydrophobicContact CG-CD2 4.02Å; Q94-F99 HydrophobicContact CG-CE1 3.77Å; Q94-F99 HydrophobicContact CG-CE2 3.46Å; Q94-F99 VanDerWaalsContact CG-CE2 3.46Å; Q94-F99 HydrophobicContact CG-CG 4.41Å; Q94-F99 HydrophobicContact CG-CZ 3.32Å; Q94-L198 HydrophobicContact CB-CD1 3.8Å; Q94-L198 HydrophobicContact CB-CD2 4.01Å; Q94-L198 HydrophobicContact CG-CD2 4Å
95K94.5Very high96.1Very high201 Ų20165 Ų6587%0.87433%0.331SS*.THydrogen-bonded Turntrans48.239179.2-61.4179.1179.3-1790113.2K92 Q93K92-K95 PolarHBondContact O-N 2.88Å; Q93-K95 PolarHBondContact O-N 2.91Å
96G94.6Very high96.1Very high59 Ų5967.1 Ų67.161%0.60834%0.338SS*.THydrogen-bonded Turntrans95.3-12179.300000115.7Q94 L98Q94-G96 PolarHBondContact O-N 3.45Å; G96-L98 PolarHBondContact O-N 2.79Å
97K97.4Very high96.2Very high156 Ų15667 Ų6768%0.67834%0.337SS*.PPolyproline II helixtrans-75.5120.1175.3-173.6178.9179.8178.90110.8Q94Q94-K97 VanDerWaalsContact CB-O 3.22Å; Q94-K97 WeakPolarHBondContact CB-O 3.42Å; Q94-K97 WeakPolarHBondContact CG-O 3.5Å; Q94-K97 WeakPolarHBondContact O-CB 3.38Å; Q94-K97 PolarHBondContact O-N 3.44Å; Q94-K97 PolarHBondContact OE1-O 3.46Å; Q94-K97 VanDerWaalsContact OE1-O 3.12Å
98L97.9Very high96.2Very high58 Ų5867 Ų6730%0.30434%0.337SS..PPolyproline II helixtrans-70.9147.1-178.6-59.2179.9000111.6G96 L198 P223 H225G96-L98 PolarHBondContact O-N 2.79Å; L98-L198 HydrophobicContact CD2-CD1 4.04Å; L98-L198 HydrophobicContact CD2-CG 3.93Å; L98-P223 HydrophobicContact CD1-CB 4.13Å; L98-P223 HydrophobicContact CD1-CG 3.8Å; L98-H225 VanDerWaalsContact CD1-CE1 3.45Å; L98-H225 WeakPolarHBondContact CD1-CE1 3.44Å
99F98Very high96.2Very high6 Ų665 Ų653%0.02633%0.326CS..PPolyproline II helixtrans-72.6145.2177.9-73.4-78.8000111.1K90 I91 Q94 M103 I104 W107 L195 L198 Y226K90-F99 HydrophobicContact CB-CZ 4.31Å; I91-F99 HydrophobicContact CG1-CE2 4.08Å; Q94-F99 HydrophobicContact CG-CD1 4.28Å; Q94-F99 HydrophobicContact CG-CD2 4.02Å; Q94-F99 HydrophobicContact CG-CE1 3.77Å; Q94-F99 HydrophobicContact CG-CE2 3.46Å; Q94-F99 VanDerWaalsContact CG-CE2 3.46Å; Q94-F99 HydrophobicContact CG-CG 4.41Å; Q94-F99 HydrophobicContact CG-CZ 3.32Å; F99-M103 HydrophobicContact CD1-SD 3.73Å; F99-M103 HydrophobicContact CE1-SD 4.23Å; F99-I104 HydrophobicContact CB-CD1 3.89Å; F99-I104 HydrophobicContact CB-CG1 3.66Å; F99-W107 HydrophobicContact CD1-CH2 4.17Å; F99-W107 AromaticContact CD1-CZ3 3.92Å; F99-W107 HydrophobicContact CD1-CZ3 3.92Å; F99-W107 AromaticContact CE1-CH2 3.67Å; F99-W107 HydrophobicContact CE1-CH2 3.67Å; F99-W107 AromaticContact CE1-CZ3 3.67Å; F99-W107 HydrophobicContact CE1-CZ3 3.67Å; F99-W107 HydrophobicContact CG-CZ3 4.43Å; F99-W107 HydrophobicContact CZ-CH2 4.23Å; F99-W107 HydrophobicContact CZ-CZ3 4.03Å; F99-L195 HydrophobicContact CD2-CD2 4.47Å; F99-L195 WeakPolarHBondContact CD2-O 2.87Å; F99-L195 HydrophobicContact CE2-CD2 4.28Å; F99-L198 HydrophobicContact CD2-CD2 3.81Å; F99-L198 HydrophobicContact CE2-CD2 3.7Å; F99-Y226 PolarHBondContact O-OH 3.45Å; F99-Y226 VanDerWaalsContact O-OH 3.12Å
100P97.6Very high96.2Very high84 Ų8461 Ų6155%0.54531%0.308SS..PPolyproline II helixtrans-61.4140.5169.4-2133000111.5D102 M103 I104P100-D102 VanDerWaalsContact C-N 3.32Å; P100-D102 PolarHBondContact O-N 3.08Å; P100-M103 HydrophobicContact CB-CB 4.48Å; P100-M103 WeakPolarHBondContact O-CB 3.44Å; P100-M103 PolarHBondContact O-N 2.98Å; P100-M103 VanDerWaalsContact O-N 3.08Å; P100-I104 WeakPolarHBondContact O-CG1 3.3Å; P100-I104 PolarHBondContact O-N 3.08Å; P100-I104 VanDerWaalsContact O-N 3.17Å
101E97.1Very high96.3Very high35 Ų3558 Ų5816%0.16430%0.295CS..Hα-helixtrans-55.7-43.4-177.6-177.3163.6156.900113M103 I104 L105 Y226 S227 L230E101-M103 VanDerWaalsContact C-N 3.25Å; E101-M103 PolarHBondContact O-N 3.27Å; E101-I104 WeakPolarHBondContact O-CB 2.99Å; E101-I104 PolarHBondContact O-N 2.96Å; E101-I104 VanDerWaalsContact O-N 3.14Å; E101-L105 HydrophobicContact CG-CD1 3.67Å; E101-L105 HydrophobicContact CG-CG 4.11Å; E101-L105 WeakPolarHBondContact O-CB 3.22Å; E101-L105 WeakPolarHBondContact O-CG 3.49Å; E101-L105 PolarHBondContact O-N 2.99Å; E101-Y226 HydrophobicContact CB-CD1 4Å; E101-Y226 HydrophobicContact CB-CE1 4.29Å; E101-Y226 HydrophobicContact CG-CD1 4.33Å; E101-Y226 WeakPolarHBondContact OE2-CA 3.49Å; E101-S227 WeakPolarHBondContact OE1-CB 3.24Å; E101-S227 PolarHBondContact OE1-OG 3.07Å; E101-S227 PolarHBondContact OE2-N 3.15Å; E101-L230 HydrophobicContact CG-CD2 3.87Å
102D94.8Very high96.3Very high127 Ų12757.3 Ų57.368%0.67929%0.291SS*.Hα-helixtrans-59.8-36.8179.4-68.9-32.5000112.7P100 N106P100-D102 VanDerWaalsContact C-N 3.32Å; P100-D102 PolarHBondContact O-N 3.08Å; D102-N106 VanDerWaalsContact O-CB 3.28Å; D102-N106 WeakPolarHBondContact O-CB 3.17Å; D102-N106 PolarHBondContact O-N 3.23Å
103M95.6Very high96.2Very high81 Ų8150.4 Ų50.440%0.39926%0.261SS..Hα-helixtrans-68.3-45.4177-170.5-179-158.400110.8F99 P100 E101 L105 N106 W107F99-M103 HydrophobicContact CD1-SD 3.73Å; F99-M103 HydrophobicContact CE1-SD 4.23Å; P100-M103 HydrophobicContact CB-CB 4.48Å; P100-M103 WeakPolarHBondContact O-CB 3.44Å; P100-M103 PolarHBondContact O-N 2.98Å; P100-M103 VanDerWaalsContact O-N 3.08Å; E101-M103 VanDerWaalsContact C-N 3.25Å; E101-M103 PolarHBondContact O-N 3.27Å; M103-L105 VanDerWaalsContact C-N 3.35Å; M103-L105 PolarHBondContact O-N 3.12Å; M103-N106 PolarHBondContact O-N 2.99Å; M103-W107 HydrophobicContact CE-CH2 3.23Å; M103-W107 HydrophobicContact CE-CZ2 3.12Å; M103-W107 HydrophobicContact CE-CZ3 4.18Å; M103-W107 HydrophobicContact CG-CD2 4.23Å; M103-W107 HydrophobicContact CG-CE3 4.19Å; M103-W107 HydrophobicContact CG-CH2 4.02Å; M103-W107 HydrophobicContact CG-CZ2 4.04Å; M103-W107 HydrophobicContact CG-CZ3 4.08Å; M103-W107 PolarHBondContact O-N 3.12Å; M103-W107 VanDerWaalsContact O-N 3.08Å; M103-W107 HydrophobicContact SD-CH2 3.73Å; M103-W107 HydrophobicContact SD-CZ2 4.07Å; M103-W107 HydrophobicContact SD-CZ3 4.12Å
104I97.4Very high96.2Very high0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-57.9-49.6176.6-62.1173.7000109.9F99 P100 E101 W107 F108 L192 L195 Y226F99-I104 HydrophobicContact CB-CD1 3.89Å; F99-I104 HydrophobicContact CB-CG1 3.66Å; P100-I104 WeakPolarHBondContact O-CG1 3.3Å; P100-I104 PolarHBondContact O-N 3.08Å; P100-I104 VanDerWaalsContact O-N 3.17Å; E101-I104 WeakPolarHBondContact O-CB 2.99Å; E101-I104 PolarHBondContact O-N 2.96Å; E101-I104 VanDerWaalsContact O-N 3.14Å; I104-W107 PolarHBondContact O-N 3.38Å; I104-F108 WeakPolarHBondContact O-CB 3.2Å; I104-F108 PolarHBondContact O-N 2.91Å; I104-L192 HydrophobicContact CG2-CD1 3.5Å; I104-L192 VanDerWaalsContact CG2-CD1 3.5Å; I104-L195 HydrophobicContact CG1-CB 4.18Å; I104-L195 HydrophobicContact CG2-CB 3.95Å; I104-L195 HydrophobicContact CG2-CD1 4.29Å; I104-Y226 HydrophobicContact CD1-CE1 3.65Å
105L95.9Very high96.2Very high0 Ų042.7 Ų42.70%023%0.225CC..Hα-helixtrans-68.4-35.2-176.7-69.4173.5000112.4E101 M103 F108 T109 L230 I256 L260E101-L105 HydrophobicContact CG-CD1 3.67Å; E101-L105 HydrophobicContact CG-CG 4.11Å; E101-L105 WeakPolarHBondContact O-CB 3.22Å; E101-L105 WeakPolarHBondContact O-CG 3.49Å; E101-L105 PolarHBondContact O-N 2.99Å; M103-L105 VanDerWaalsContact C-N 3.35Å; M103-L105 PolarHBondContact O-N 3.12Å; L105-F108 PolarHBondContact O-N 3.46Å; L105-T109 VanDerWaalsContact O-CB 3.31Å; L105-T109 WeakPolarHBondContact O-CB 3.46Å; L105-T109 PolarHBondContact O-N 3.06Å; L105-T109 PolarHBondContact O-OG1 3.25Å; L105-L230 HydrophobicContact CD2-CD1 4.16Å; L105-I256 HydrophobicContact CD1-CD1 3.32Å; L105-I256 HydrophobicContact CD1-CG1 3.75Å; L105-I256 HydrophobicContact CD1-CG2 4.05Å; L105-I256 HydrophobicContact CD2-CG2 4.06Å; L105-L260 HydrophobicContact CB-CD1 3.59Å
106N94.2Very high96.2Very high64 Ų6433.2 Ų33.234%0.34218%0.184SC..Hα-helixtrans-61.3-53172.9-174.1-29.5000110.8D102 M103 F108 T109 Q110D102-N106 VanDerWaalsContact O-CB 3.28Å; D102-N106 WeakPolarHBondContact O-CB 3.17Å; D102-N106 PolarHBondContact O-N 3.23Å; M103-N106 PolarHBondContact O-N 2.99Å; N106-F108 VanDerWaalsContact C-N 3.33Å; N106-F108 PolarHBondContact O-N 2.61Å; N106-T109 PolarHBondContact O-N 3.44Å; N106-Q110 PolarHBondContact O-N 2.74Å; N106-Q110 VanDerWaalsContact O-N 3.13Å; N106-Q110 PolarHBondContact OD1-NE2 3.08Å
107W96.8Very high96.1Very high12 Ų1231.3 Ų31.35%0.04516%0.159CC..Hα-helixtrans-60.6-43.1177-69.9-23.5000112.5L87 F99 M103 I104 T109 Q110 M111 L135 V141 L195L87-W107 HydrophobicContact CD2-CD2 4.28Å; L87-W107 HydrophobicContact CD2-CE3 4.1Å; L87-W107 HydrophobicContact CD2-CH2 4.49Å; L87-W107 HydrophobicContact CD2-CZ3 4.23Å; F99-W107 HydrophobicContact CD1-CH2 4.17Å; F99-W107 AromaticContact CD1-CZ3 3.92Å; F99-W107 HydrophobicContact CD1-CZ3 3.92Å; F99-W107 AromaticContact CE1-CH2 3.67Å; F99-W107 HydrophobicContact CE1-CH2 3.67Å; F99-W107 AromaticContact CE1-CZ3 3.67Å; F99-W107 HydrophobicContact CE1-CZ3 3.67Å; F99-W107 HydrophobicContact CG-CZ3 4.43Å; F99-W107 HydrophobicContact CZ-CH2 4.23Å; F99-W107 HydrophobicContact CZ-CZ3 4.03Å; M103-W107 HydrophobicContact CE-CH2 3.23Å; M103-W107 HydrophobicContact CE-CZ2 3.12Å; M103-W107 HydrophobicContact CE-CZ3 4.18Å; M103-W107 HydrophobicContact CG-CD2 4.23Å; M103-W107 HydrophobicContact CG-CE3 4.19Å; M103-W107 HydrophobicContact CG-CH2 4.02Å; M103-W107 HydrophobicContact CG-CZ2 4.04Å; M103-W107 HydrophobicContact CG-CZ3 4.08Å; M103-W107 PolarHBondContact O-N 3.12Å; M103-W107 VanDerWaalsContact O-N 3.08Å; M103-W107 HydrophobicContact SD-CH2 3.73Å; M103-W107 HydrophobicContact SD-CZ2 4.07Å; M103-W107 HydrophobicContact SD-CZ3 4.12Å; I104-W107 PolarHBondContact O-N 3.38Å; W107-T109 VanDerWaalsContact C-N 3.33Å; W107-T109 PolarHBondContact O-N 3.4Å; W107-Q110 PolarHBondContact O-N 2.9Å; W107-M111 WeakPolarHBondContact O-CG 3.38Å; W107-M111 PolarHBondContact O-N 3.47Å; W107-L135 HydrophobicContact CH2-CD1 4.37Å; W107-L135 HydrophobicContact CZ2-CD1 3.72Å; W107-L135 HydrophobicContact CZ2-CD2 4.41Å; W107-V141 HydrophobicContact CB-CG2 3.86Å; W107-V141 VanDerWaalsContact CD1-CG2 3.46Å; W107-V141 HydrophobicContact CG-CG2 3.86Å; W107-L195 HydrophobicContact CE3-CD1 4.32Å; W107-L195 HydrophobicContact CE3-CD2 3.9Å; W107-L195 HydrophobicContact CZ3-CD2 3.95Å
108F97.4Very high96Very high0 Ų023.9 Ų23.90%013%0.127CC..Hα-helixtrans-61.4-41178-178.1-106.4000112.7I104 L105 N106 M111 C112 L188 L192 M237 L251 V257I104-F108 WeakPolarHBondContact O-CB 3.2Å; I104-F108 PolarHBondContact O-N 2.91Å; L105-F108 PolarHBondContact O-N 3.46Å; N106-F108 VanDerWaalsContact C-N 3.33Å; N106-F108 PolarHBondContact O-N 2.61Å; F108-M111 HydrophobicContact CB-CE 4.27Å; F108-M111 HydrophobicContact CD2-CE 4.17Å; F108-M111 PolarHBondContact O-N 2.75Å; F108-C112 VanDerWaalsContact CE1-SG 3.51Å; F108-C112 VanDerWaalsContact CZ-SG 3.52Å; F108-C112 PolarHBondContact O-N 3.06Å; F108-C112 PolarHBondContact O-SG 2.86Å; F108-L188 HydrophobicContact CD2-CG 4.44Å; F108-L188 HydrophobicContact CE2-CD1 4.38Å; F108-L188 HydrophobicContact CE2-CD2 3.98Å; F108-L188 HydrophobicContact CE2-CG 3.82Å; F108-L188 HydrophobicContact CZ-CD2 4.42Å; F108-L192 HydrophobicContact CB-CD1 4.08Å; F108-L192 HydrophobicContact CD1-CD2 4.42Å; F108-L192 HydrophobicContact CD2-CB 3.91Å; F108-L192 HydrophobicContact CD2-CD1 3.79Å; F108-L192 HydrophobicContact CD2-CD2 3.88Å; F108-L192 HydrophobicContact CD2-CG 4.07Å; F108-L192 HydrophobicContact CE1-CD2 4.21Å; F108-L192 HydrophobicContact CE2-CB 3.93Å; F108-L192 HydrophobicContact CE2-CD1 4.38Å; F108-L192 HydrophobicContact CE2-CD2 3.62Å; F108-L192 HydrophobicContact CE2-CG 4.18Å; F108-L192 HydrophobicContact CG-CD1 3.92Å; F108-L192 HydrophobicContact CG-CD2 4.27Å; F108-L192 HydrophobicContact CZ-CD2 3.8Å; F108-M237 HydrophobicContact CE2-CE 3.84Å; F108-M237 HydrophobicContact CE2-SD 4.01Å; F108-M237 HydrophobicContact CZ-CE 3.89Å; F108-M237 HydrophobicContact CZ-SD 3.71Å; F108-L251 HydrophobicContact CZ-CD1 4.2Å; F108-V257 HydrophobicContact CD1-CG2 4.18Å; F108-V257 HydrophobicContact CE1-CG2 4.16Å
109T95.4Very high95.8Very high0 Ų022.4 Ų22.40%012%0.118CC..Hα-helixtrans-61.4-47176.8-59.20000110.6L105 N106 W107 M111 C112 L113 L252 V257 L260 V261 C264L105-T109 VanDerWaalsContact O-CB 3.31Å; L105-T109 WeakPolarHBondContact O-CB 3.46Å; L105-T109 PolarHBondContact O-N 3.06Å; L105-T109 PolarHBondContact O-OG1 3.25Å; N106-T109 PolarHBondContact O-N 3.44Å; W107-T109 VanDerWaalsContact C-N 3.33Å; W107-T109 PolarHBondContact O-N 3.4Å; T109-M111 PolarHBondContact O-N 3.22Å; T109-C112 WeakPolarHBondContact O-CB 3.29Å; T109-C112 PolarHBondContact O-N 3.27Å; T109-L113 HydrophobicContact CG2-CD1 4.35Å; T109-L113 WeakPolarHBondContact O-CG 3.35Å; T109-L113 PolarHBondContact O-N 3.33Å; T109-L252 HydrophobicContact CG2-CD2 4.43Å; T109-V257 HydrophobicContact CG2-CG1 4.11Å; T109-L260 HydrophobicContact CG2-CB 4.1Å; T109-V261 HydrophobicContact CG2-CG2 4.12Å; T109-C264 HydrophobicContact CG2-CB 4.34Å
110Q95.3Very high95.5Very high11 Ų1125.6 Ų25.65%0.05113%0.133CC..Hα-helixtrans-62.4-39.8176.5-70.3-175.26700113N61 N106 W107 L113 G114 G139 V141 C264N61-Q110 VanDerWaalsContact CB-O 3.25Å; N61-Q110 WeakPolarHBondContact CB-O 3.45Å; N61-Q110 WeakPolarHBondContact ND2-CB 3.23Å; N61-Q110 PolarHBondContact ND2-OE1 2.7Å; N61-Q110 VanDerWaalsContact ND2-OE1 3.08Å; N61-Q110 PolarHBondContact OD1-O 3.48Å; N106-Q110 PolarHBondContact O-N 2.74Å; N106-Q110 VanDerWaalsContact O-N 3.13Å; N106-Q110 PolarHBondContact OD1-NE2 3.08Å; W107-Q110 PolarHBondContact O-N 2.9Å; Q110-L113 PolarHBondContact O-N 3.13Å; Q110-G114 PolarHBondContact O-N 2.99Å; Q110-G139 PolarHBondContact NE2-O 3.47Å; Q110-V141 HydrophobicContact CB-CB 3.73Å; Q110-V141 HydrophobicContact CB-CG1 4.47Å; Q110-V141 HydrophobicContact CB-CG2 4.08Å; Q110-C264 HydrophobicContact CG-CB 3.91Å
111M97.6Very high95.1Very high0 Ų026.1 Ų26.10%013%0.126CC..Hα-helixtrans-62.2-45.2172.3-68.8-173.2-74.700111.5L87 W107 F108 T109 L113 G114 V115 I133 V141 L188 I191 L195L87-M111 HydrophobicContact CD1-CE 4.37Å; L87-M111 HydrophobicContact CD1-SD 4.01Å; W107-M111 WeakPolarHBondContact O-CG 3.38Å; W107-M111 PolarHBondContact O-N 3.47Å; F108-M111 HydrophobicContact CB-CE 4.27Å; F108-M111 HydrophobicContact CD2-CE 4.17Å; F108-M111 PolarHBondContact O-N 2.75Å; T109-M111 PolarHBondContact O-N 3.22Å; M111-L113 VanDerWaalsContact C-N 3.29Å; M111-L113 PolarHBondContact O-N 3.13Å; M111-G114 PolarHBondContact O-N 3.2Å; M111-V115 WeakPolarHBondContact O-CG2 3.16Å; M111-V115 PolarHBondContact O-N 3.31Å; M111-I133 HydrophobicContact CG-CG2 4.06Å; M111-I133 HydrophobicContact SD-CD1 4.25Å; M111-I133 HydrophobicContact SD-CG1 3.95Å; M111-I133 HydrophobicContact SD-CG2 3.9Å; M111-V141 HydrophobicContact CG-CG1 3.66Å; M111-L188 HydrophobicContact CB-CD1 3.62Å; M111-L188 HydrophobicContact CE-CD1 4.23Å; M111-L188 HydrophobicContact CG-CD1 4.33Å; M111-L188 HydrophobicContact SD-CD1 3.89Å; M111-I191 HydrophobicContact CE-CG2 3.92Å; M111-I191 HydrophobicContact SD-CD1 4.44Å; M111-I191 HydrophobicContact SD-CG2 3.87Å; M111-L195 HydrophobicContact CE-CD1 3.99Å
112C96.3Very high94.8Very high0 Ų033.4 Ų33.40%015%0.152CC..Hα-helixtrans-59.2-40.8177.2-70.80000111.9F108 T109 V115 N116 L252F108-C112 VanDerWaalsContact CE1-SG 3.51Å; F108-C112 VanDerWaalsContact CZ-SG 3.52Å; F108-C112 PolarHBondContact O-N 3.06Å; F108-C112 PolarHBondContact O-SG 2.86Å; T109-C112 WeakPolarHBondContact O-CB 3.29Å; T109-C112 PolarHBondContact O-N 3.27Å; C112-V115 PolarHBondContact O-N 2.85Å; C112-N116 VanDerWaalsContact O-CB 3.25Å; C112-N116 WeakPolarHBondContact O-CB 3.45Å; C112-N116 PolarHBondContact O-N 2.92Å; C112-L252 HydrophobicContact CB-CD2 3.61Å; C112-L252 HydrophobicContact CB-CG 3.91Å
113L94Very high94.6Very high1 Ų127.4 Ų27.41%0.00512%0.12CC..Hα-helixtrans-60.5-49.6177.7-73.3166.7000111.8T109 Q110 M111 N116 H117 L252 V261 C264 L265T109-L113 HydrophobicContact CG2-CD1 4.35Å; T109-L113 WeakPolarHBondContact O-CG 3.35Å; T109-L113 PolarHBondContact O-N 3.33Å; Q110-L113 PolarHBondContact O-N 3.13Å; M111-L113 VanDerWaalsContact C-N 3.29Å; M111-L113 PolarHBondContact O-N 3.13Å; L113-N116 PolarHBondContact O-N 3.01Å; L113-H117 PolarHBondContact O-N 3.26Å; L113-H117 VanDerWaalsContact O-N 3.12Å; L113-L252 HydrophobicContact CD2-CD1 4Å; L113-L252 HydrophobicContact CD2-CD2 3.8Å; L113-L252 HydrophobicContact CG-CD2 3.82Å; L113-V261 HydrophobicContact CD2-CG1 4.35Å; L113-C264 HydrophobicContact CD1-CB 3.95Å; L113-L265 HydrophobicContact CD1-CD1 4.24Å; L113-L265 HydrophobicContact CD1-CD2 3.76Å; L113-L265 HydrophobicContact CD1-CG 3.72Å; L113-L265 HydrophobicContact CD2-CD1 3.88Å; L113-L265 HydrophobicContact CD2-CD2 4.42Å; L113-L265 HydrophobicContact CD2-CG 4.29Å
114G95.1Very high94.4Very high0 Ų023.6 Ų23.60%010%0.101CC..Hα-helixtrans-67.2-39.4177.900000113.3Q110 M111 N116 H117 I118 L143Q110-G114 PolarHBondContact O-N 2.99Å; M111-G114 PolarHBondContact O-N 3.2Å; G114-N116 VanDerWaalsContact C-N 3.34Å; G114-N116 PolarHBondContact O-N 3.26Å; G114-H117 WeakPolarHBondContact O-CB 3.45Å; G114-H117 PolarHBondContact O-N 2.97Å; G114-I118 WeakPolarHBondContact O-CG1 3.44Å; G114-I118 PolarHBondContact O-N 3.39Å; G114-I118 VanDerWaalsContact O-N 3.08Å; G114-L143 VanDerWaalsContact CA-CD1 3.47Å
115V96.6Very high94.2Very high1 Ų123.6 Ų23.61%0.00610%0.102CC..Hα-helixtrans-63.3-41.1174.81730000111.1M111 C112 H117 I118 H119 I128 L143 I185 A248M111-V115 WeakPolarHBondContact O-CG2 3.16Å; M111-V115 PolarHBondContact O-N 3.31Å; C112-V115 PolarHBondContact O-N 2.85Å; V115-H117 VanDerWaalsContact C-N 3.27Å; V115-H117 PolarHBondContact O-N 3.41Å; V115-I118 PolarHBondContact O-N 3.12Å; V115-H119 WeakPolarHBondContact CG1-CE1 3.45Å; V115-H119 PolarHBondContact O-N 3.38Å; V115-I128 HydrophobicContact CG2-CD1 3.76Å; V115-L143 HydrophobicContact CG2-CD1 4.16Å; V115-L143 HydrophobicContact CG2-CD2 4.05Å; V115-I185 HydrophobicContact CG1-CD1 4.49Å; V115-A248 HydrophobicContact CG1-CB 4.09Å
116N95Very high93.9Very high2 Ų225.6 Ų25.61%0.01111%0.109CC..Hα-helixtrans-58.5-41.5175.8-16743.5000111.4C112 L113 G114 H119 K120 A248 T249 L252C112-N116 VanDerWaalsContact O-CB 3.25Å; C112-N116 WeakPolarHBondContact O-CB 3.45Å; C112-N116 PolarHBondContact O-N 2.92Å; L113-N116 PolarHBondContact O-N 3.01Å; G114-N116 VanDerWaalsContact C-N 3.34Å; G114-N116 PolarHBondContact O-N 3.26Å; N116-H119 PolarHBondContact O-N 3.14Å; N116-K120 WeakPolarHBondContact O-CB 3.42Å; N116-K120 WeakPolarHBondContact O-CG 3.37Å; N116-K120 PolarHBondContact O-N 3.16Å; N116-A248 HydrophobicContact CB-CB 3.85Å; N116-T249 PolarHBondContact OD1-N 3.25Å; N116-T249 PolarHBondContact OD1-OG1 3.14Å; N116-L252 HydrophobicContact CB-CD1 3.77Å
117H93.5Very high93.7Very high19 Ų1923.5 Ų23.59%0.08810%0.098CC..Hα-helixtrans-62.3-44.9175.7-172.496.4000113.7K58 H59 I62 L113 G114 V115 H119 K121 Y273K58-H117 PolarHBondContact O-CE1 3.08Å; K58-H117 PolarHBondContact O-NE2 3.48Å; H59-H117 HydrophobicContact CB-CB 4.36Å; H59-H117 AromaticContact CD2-CG 3.9Å; H59-H117 AromaticContact CD2-ND1 3.68Å; H59-H117 AromaticContact CG-CG 3.97Å; I62-H117 HydrophobicContact CD1-CB 4.37Å; L113-H117 PolarHBondContact O-N 3.26Å; L113-H117 VanDerWaalsContact O-N 3.12Å; G114-H117 WeakPolarHBondContact O-CB 3.45Å; G114-H117 PolarHBondContact O-N 2.97Å; V115-H117 VanDerWaalsContact C-N 3.27Å; V115-H117 PolarHBondContact O-N 3.41Å; H117-H119 VanDerWaalsContact C-N 3.33Å; H117-H119 PolarHBondContact O-N 3.39Å; H117-K121 WeakPolarHBondContact NE2-CE 3.48Å; H117-K121 PolarHBondContact O-N 3.17Å; H117-Y273 WeakPolarHBondContact CA-OH 3.27Å; H117-Y273 HydrophobicContact CB-CE2 4.5Å; H117-Y273 VanDerWaalsContact CB-OH 3.29Å; H117-Y273 WeakPolarHBondContact CB-OH 3.4Å; H117-Y273 PolarHBondContact N-OH 3.28Å; H117-Y273 VanDerWaalsContact N-OH 3.17Å; H117-Y273 AromaticContact ND1-CE2 3.54Å; H117-Y273 AromaticContact ND1-CZ 3.92Å
118I93.7Very high93.6Very high1 Ų123 Ų231%0.00510%0.096CC..Hα-helixtrans-60.4-45.7175.6-65168.4000110.1M57 I62 G114 V115 K121 V123 F146M57-I118 HydrophobicContact SD-CG1 4.3Å; I62-I118 HydrophobicContact CD1-CD1 4.16Å; I62-I118 HydrophobicContact CD1-CG1 3.72Å; G114-I118 WeakPolarHBondContact O-CG1 3.44Å; G114-I118 PolarHBondContact O-N 3.39Å; G114-I118 VanDerWaalsContact O-N 3.08Å; V115-I118 PolarHBondContact O-N 3.12Å; I118-K121 PolarHBondContact O-N 2.88Å; I118-V123 HydrophobicContact CG2-CB 3.82Å; I118-V123 HydrophobicContact CG2-CG1 3.77Å; I118-V123 WeakPolarHBondContact CG2-O 3.35Å; I118-V123 PolarHBondContact O-N 3.44Å; I118-V123 VanDerWaalsContact O-N 3.1Å; I118-F146 HydrophobicContact CD1-CE1 3.95Å; I118-F146 HydrophobicContact CD1-CZ 3.73Å; I118-F146 HydrophobicContact CG1-CE1 4.12Å; I118-F146 HydrophobicContact CG1-CZ 4.17Å
119H94.4Very high93.4Very high26 Ų2624.3 Ų24.312%0.1210%0.102CC..Hα-helixtrans-68.6-40.2-178.2-69.9-178.6000113.1V115 N116 H117 K121 R122 V123 N181 D184V115-H119 WeakPolarHBondContact CG1-CE1 3.45Å; V115-H119 PolarHBondContact O-N 3.38Å; N116-H119 PolarHBondContact O-N 3.14Å; H117-H119 VanDerWaalsContact C-N 3.33Å; H117-H119 PolarHBondContact O-N 3.39Å; H119-K121 PolarHBondContact O-N 2.83Å; H119-R122 WeakPolarHBondContact O-CA 3.49Å; H119-R122 PolarHBondContact O-N 3.08Å; H119-V123 PolarHBondContact CD2-O 2.93Å; H119-N181 PolarHBondContact CE1-O 3.08Å; H119-D184 IonicContact CD2-OD2 3.67Å; H119-D184 IonicContact CE1-OD2 2.77Å; H119-D184 WeakPolarHBondContact NE2-CB 3.46Å; H119-D184 IonicContact NE2-OD2 3.25Å; H119-D184 PolarHBondContact NE2-OD2 2.93Å
120K90.9Very high93.4Very high74 Ų7424.3 Ų24.332%0.32210%0.102SC..Hα-helixtrans-61.3-32.9175.1-79.4-169.7173.7-174.10112.3N116 R122 E276N116-K120 WeakPolarHBondContact O-CB 3.42Å; N116-K120 WeakPolarHBondContact O-CG 3.37Å; N116-K120 PolarHBondContact O-N 3.16Å; K120-R122 PolarHBondContact O-N 3.39Å; K120-E276 IonicContact NZ-OE2 2.72Å; K120-E276 PolarHBondContact NZ-OE2 3.27Å
121K90.8Very high93.3Very high95 Ų9528.7 Ų28.741%0.41312%0.12SC..THydrogen-bonded Turntrans-78.611172.1-73.4177.5178.3-87.40114K56 M57 H117 I118 H119 V123K56-K121 WeakPolarHBondContact O-CE 3.34Å; K56-K121 PolarHBondContact O-NZ 3.31Å; M57-K121 HydrophobicContact CE-CB 4.08Å; M57-K121 HydrophobicContact CE-CD 4Å; M57-K121 HydrophobicContact SD-CD 3.55Å; M57-K121 VanDerWaalsContact SD-CD 3.55Å; H117-K121 WeakPolarHBondContact NE2-CE 3.48Å; H117-K121 PolarHBondContact O-N 3.17Å; I118-K121 PolarHBondContact O-N 2.88Å; H119-K121 PolarHBondContact O-N 2.83Å; K121-V123 PolarHBondContact O-N 3.29Å
122R91.2Very high93.1Very high187 Ų18729 Ų2971%0.70612%0.122SC*.THydrogen-bonded Turntrans5636.8-178.7-58-174.6176.7-177.2-0.6113.1H119 K120 L152H119-R122 WeakPolarHBondContact O-CA 3.49Å; H119-R122 PolarHBondContact O-N 3.08Å; K120-R122 PolarHBondContact O-N 3.39Å; R122-L152 HydrophobicContact CB-CB 4.42Å; R122-L152 HydrophobicContact CB-CD1 4.21Å; R122-L152 WeakPolarHBondContact O-CB 3.47Å; R122-L152 PolarHBondContact O-N 3.49Å
123V90.3Very high93.2Very high2 Ų229 Ų291%0.01212%0.122CC..EExtended strand (participates in β ladder)trans-109.4143.9174.5175.30000109.5L53 M57 I118 H119 K121 A149 R150 L151L53-V123 HydrophobicContact CD2-CG2 4.12Å; M57-V123 HydrophobicContact CE-CB 3.81Å; M57-V123 HydrophobicContact CE-CG1 4.11Å; M57-V123 HydrophobicContact CE-CG2 3.5Å; M57-V123 VanDerWaalsContact CE-CG2 3.5Å; I118-V123 HydrophobicContact CG2-CB 3.82Å; I118-V123 HydrophobicContact CG2-CG1 3.77Å; I118-V123 WeakPolarHBondContact CG2-O 3.35Å; I118-V123 PolarHBondContact O-N 3.44Å; I118-V123 VanDerWaalsContact O-N 3.1Å; H119-V123 PolarHBondContact CD2-O 2.93Å; K121-V123 PolarHBondContact O-N 3.29Å; V123-A149 HydrophobicContact CG1-CB 4.17Å; V123-R150 WeakPolarHBondContact CA-O 3.38Å; V123-L151 HydrophobicContact CG2-CD2 3.57Å; V123-L151 HydrophobicContact CG2-CG 4.24Å
124L91Very high93.3Very high0 Ų031.8 Ų31.80%013%0.134CC..EExtended strand (participates in β ladder)trans-102.9132.7166.8-62.7172.3000108.6R126 A149 R150 L152 A157 Y179 N180 N181L124-R126 HydrophobicContact CB-CG 3.85Å; L124-A149 WeakPolarHBondContact O-CA 3.29Å; L124-A149 WeakPolarHBondContact O-CB 3.16Å; L124-R150 PolarHBondContact N-O 3.47Å; L124-R150 PolarHBondContact O-N 3.16Å; L124-L152 HydrophobicContact CD1-CD2 3.44Å; L124-L152 VanDerWaalsContact CD1-CD2 3.44Å; L124-L152 HydrophobicContact CD1-CG 4.4Å; L124-L152 HydrophobicContact CD2-CD2 3.93Å; L124-L152 HydrophobicContact CD2-CG 4.49Å; L124-L152 HydrophobicContact CG-CD2 3.55Å; L124-L152 HydrophobicContact CG-CG 4.07Å; L124-A157 HydrophobicContact CD1-CB 4.43Å; L124-Y179 HydrophobicContact CB-CD1 4.45Å; L124-Y179 HydrophobicContact CB-CE1 4.42Å; L124-Y179 HydrophobicContact CD1-CD1 3.92Å; L124-Y179 HydrophobicContact CD2-CD1 4.43Å; L124-N180 VanDerWaalsContact CD2-C 3.4Å; L124-N181 HydrophobicContact CD2-CB 4.07Å; L124-N181 VanDerWaalsContact CD2-N 3.31Å
125H92.2Very high93.3Very high1 Ų132 Ų321%0.00514%0.135CC..  trans-76.7-43.3179.9-170.8-45.6000111.5D127 I128 G144 D145 D184H125-D127 PolarHBondContact ND1-N 3.06Å; H125-D127 PolarHBondContact O-N 3.5Å; H125-I128 HydrophobicContact CB-CD1 4.04Å; H125-I128 HydrophobicContact CB-CG1 3.84Å; H125-G144 PolarHBondContact CE1-O 3.1Å; H125-G144 VanDerWaalsContact CE1-O 3.26Å; H125-G144 PolarHBondContact NE2-O 3.05Å; H125-G144 VanDerWaalsContact NE2-O 3.14Å; H125-D145 PolarHBondContact CE1-O 3.01Å; H125-D184 PolarHBondContact N-OD2 3.39Å
126R90.1Very high93.1Very high42 Ų4233 Ų3316%0.15814%0.141CC..  trans63.71.9175.8-58.6-179.856.1162.1-1.9116.9L124 S148 M156 A157 A159 Y179 D184L124-R126 HydrophobicContact CB-CG 3.85Å; R126-S148 WeakPolarHBondContact CD-O 3.2Å; R126-M156 PolarHBondContact NH1-O 3.47Å; R126-M156 VanDerWaalsContact NH1-O 3.13Å; R126-A157 PolarHBondContact NH1-O 2.86Å; R126-A159 PolarHBondContact NH2-O 2.92Å; R126-Y179 HydrophobicContact CB-CE1 4.43Å; R126-Y179 HydrophobicContact CG-CD1 3.89Å; R126-Y179 HydrophobicContact CG-CE1 3.75Å; R126-Y179 HydrophobicContact CG-CG 4.33Å; R126-D184 PolarHBondContact N-OD1 3.32Å
127D89.2Confident92.6Very high20 Ų2039.9 Ų39.911%0.10717%0.174CC..  trans-147.241178.6-160.321.7000112H125 K129 N132H125-D127 PolarHBondContact ND1-N 3.06Å; H125-D127 PolarHBondContact O-N 3.5Å; D127-K129 PolarHBondContact O-N 3.25Å; D127-K129 WeakPolarHBondContact OD1-CD 3.43Å; D127-K129 WeakPolarHBondContact OD1-CE 3.46Å; D127-K129 IonicContact OD1-NZ 2.97Å; D127-K129 PolarHBondContact OD1-NZ 2.92Å; D127-K129 IonicContact OD2-NZ 2.74Å; D127-K129 PolarHBondContact OD2-NZ 2.97Å; D127-N132 PolarHBondContact O-ND2 3.18Å; D127-N132 VanDerWaalsContact O-ND2 3.08Å; D127-N132 PolarHBondContact OD2-ND2 3.35Å
128I94.9Very high92.2Very high2 Ų246 Ų461%0.0121%0.207CC..  trans-73.5111173.2-66.6174000108V115 H125 D184 S187 L188 I191V115-I128 HydrophobicContact CG2-CD1 3.76Å; H125-I128 HydrophobicContact CB-CD1 4.04Å; H125-I128 HydrophobicContact CB-CG1 3.84Å; I128-D184 HydrophobicContact CD1-CB 3.66Å; I128-S187 WeakPolarHBondContact O-CB 3.21Å; I128-L188 HydrophobicContact CG2-CB 4.45Å; I128-I191 HydrophobicContact CG2-CD1 3.55Å
129K93.8Very high91.6Very high26 Ų2647.4 Ų47.411%0.11322%0.222CC..  trans-152.3158.3177.161.5-171.7178.1-137.80110.1D127 K131 N132 I133 Y168D127-K129 PolarHBondContact O-N 3.25Å; D127-K129 WeakPolarHBondContact OD1-CD 3.43Å; D127-K129 WeakPolarHBondContact OD1-CE 3.46Å; D127-K129 IonicContact OD1-NZ 2.97Å; D127-K129 PolarHBondContact OD1-NZ 2.92Å; D127-K129 IonicContact OD2-NZ 2.74Å; D127-K129 PolarHBondContact OD2-NZ 2.97Å; K129-K131 HydrophobicContact CG-CB 4.31Å; K129-K131 PolarHBondContact O-N 2.68Å; K129-N132 VanDerWaalsContact CE-CG 3.46Å; K129-N132 VanDerWaalsContact CE-ND2 3.29Å; K129-N132 WeakPolarHBondContact CE-ND2 3.36Å; K129-N132 VanDerWaalsContact CE-OD1 3.29Å; K129-N132 WeakPolarHBondContact CE-OD1 3.4Å; K129-N132 HydrophobicContact CG-CB 4.07Å; K129-N132 PolarHBondContact O-N 2.87Å; K129-I133 PolarHBondContact O-N 3.44Å; K129-Y168 HydrophobicContact CB-CD1 4.02Å; K129-Y168 HydrophobicContact CB-CD2 3.7Å; K129-Y168 HydrophobicContact CB-CE1 3.91Å; K129-Y168 HydrophobicContact CB-CE2 3.55Å; K129-Y168 HydrophobicContact CB-CG 3.94Å
130S95.4Very high91.5Very high0 Ų051.2 Ų51.20%024%0.238CC..G310 helixtrans-56.5-29.2-176.556.80000113.6L87 M88 N132 I133 Y168 E194L87-S130 WeakPolarHBondContact CB-O 3.49Å; L87-S130 PolarHBondContact N-O 3.26Å; M88-S130 WeakPolarHBondContact CB-OG 3.34Å; M88-S130 PolarHBondContact N-O 2.72Å; S130-N132 VanDerWaalsContact C-N 3.33Å; S130-N132 PolarHBondContact O-N 3.5Å; S130-I133 PolarHBondContact O-N 3.13Å; S130-Y168 PolarHBondContact N-OH 3.41Å; S130-Y168 PolarHBondContact OG-OH 3.03Å; S130-E194 PolarHBondContact OG-OE1 2.89Å
131K92.9Very high91.8Very high103 Ų10347.7 Ų47.745%0.44822%0.223SC..G310 helixtrans-68.9-25.1174.5-169.9177.4178.7-174.20114.2D86 M88 K129D86-K131 WeakPolarHBondContact CB-O 3.3Å; M88-K131 HydrophobicContact CB-CB 4.49Å; M88-K131 HydrophobicContact CE-CB 4.1Å; K129-K131 HydrophobicContact CG-CB 4.31Å; K129-K131 PolarHBondContact O-N 2.68Å
132N94.3Very high92.1Very high8 Ų844.1 Ų44.14%0.04321%0.207CC..G310 helixtrans-101.87.5-178.7-69.84.5000112.6D127 K129 S130 G144 D145D127-N132 PolarHBondContact O-ND2 3.18Å; D127-N132 VanDerWaalsContact O-ND2 3.08Å; D127-N132 PolarHBondContact OD2-ND2 3.35Å; K129-N132 VanDerWaalsContact CE-CG 3.46Å; K129-N132 VanDerWaalsContact CE-ND2 3.29Å; K129-N132 WeakPolarHBondContact CE-ND2 3.36Å; K129-N132 VanDerWaalsContact CE-OD1 3.29Å; K129-N132 WeakPolarHBondContact CE-OD1 3.4Å; K129-N132 HydrophobicContact CG-CB 4.07Å; K129-N132 PolarHBondContact O-N 2.87Å; S130-N132 VanDerWaalsContact C-N 3.33Å; S130-N132 PolarHBondContact O-N 3.5Å; N132-G144 PolarHBondContact O-N 3.38Å; N132-D145 HydrophobicContact CB-CB 4.32Å; N132-D145 WeakPolarHBondContact ND2-CB 3.39Å; N132-D145 PolarHBondContact ND2-OD2 3.23Å; N132-D145 VanDerWaalsContact ND2-OD2 3.13Å
133I97.2Very high92.3Very high0 Ų035.2 Ų35.20%017%0.174CC..EExtended strand (participates in β ladder)trans-106.7108.6171.2-52.1-56.3000108D86 L87 M111 K129 S130 V141 L143 I191D86-I133 CarbonylContact C-O 3.57Å; D86-I133 VanDerWaalsContact CA-O 3.31Å; D86-I133 WeakPolarHBondContact CA-O 3.28Å; L87-I133 HydrophobicContact CB-CB 4.36Å; L87-I133 HydrophobicContact CD1-CB 3.76Å; L87-I133 HydrophobicContact CD1-CG1 4.36Å; L87-I133 HydrophobicContact CD1-CG2 3.45Å; L87-I133 VanDerWaalsContact CD1-CG2 3.45Å; L87-I133 HydrophobicContact CG-CB 3.94Å; L87-I133 HydrophobicContact CG-CG2 3.77Å; L87-I133 PolarHBondContact N-O 3.02Å; M111-I133 HydrophobicContact CG-CG2 4.06Å; M111-I133 HydrophobicContact SD-CD1 4.25Å; M111-I133 HydrophobicContact SD-CG1 3.95Å; M111-I133 HydrophobicContact SD-CG2 3.9Å; K129-I133 PolarHBondContact O-N 3.44Å; S130-I133 PolarHBondContact O-N 3.13Å; I133-V141 HydrophobicContact CG2-CG1 3.39Å; I133-L143 HydrophobicContact CD1-CD2 3.31Å; I133-L143 HydrophobicContact CD1-CG 3.87Å; I133-I191 HydrophobicContact CD1-CD1 4.28Å; I133-I191 HydrophobicContact CG1-CD1 3.7Å
134F96.8Very high92.4Very high58 Ų5835.1 Ų35.125%0.25417%0.174SC..EExtended strand (participates in β ladder)trans-95.4155.9-178.4-54.7-81.4000111.6V63 C82 G85 D86 V141 K142V63-F134 HydrophobicContact CG2-CD2 3.93Å; V63-F134 HydrophobicContact CG2-CE2 4.49Å; C82-F134 HydrophobicContact CB-CB 3.46Å; C82-F134 VanDerWaalsContact CB-CB 3.46Å; C82-F134 HydrophobicContact CB-CG 4.19Å; G85-F134 CarbonylContact O-C 3.56Å; G85-F134 WeakPolarHBondContact O-CA 3.48Å; D86-F134 HydrophobicContact CB-CD1 4.06Å; D86-F134 HydrophobicContact CB-CE1 4.25Å; F134-V141 CarbonylContact O-C 3.59Å; F134-V141 WeakPolarHBondContact O-CA 3.48Å; F134-K142 HydrophobicContact CB-CB 4.29Å; F134-K142 PolarHBondContact N-O 3.17Å; F134-K142 PolarHBondContact O-N 3.34Å
135L95.4Very high92Very high4 Ų437.2 Ų37.22%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-116.4145.3172.3-66177.2000110.2C82 G84 G85 L87 K90 W107 K140 V141C82-L135 CarbonylContact C-O 3.6Å; C82-L135 WeakPolarHBondContact CB-O 3.25Å; G84-L135 CarbonylContact C-O 3.55Å; G84-L135 WeakPolarHBondContact CA-O 3.44Å; G84-L135 PolarHBondContact N-O 3.07Å; G85-L135 PolarHBondContact O-N 3.32Å; L87-L135 HydrophobicContact CD2-CD1 3.87Å; L87-L135 HydrophobicContact CD2-CD2 4.11Å; L87-L135 HydrophobicContact CD2-CG 4Å; K90-L135 HydrophobicContact CD-CD1 4.23Å; K90-L135 HydrophobicContact CG-CD1 3.61Å; W107-L135 HydrophobicContact CH2-CD1 4.37Å; W107-L135 HydrophobicContact CZ2-CD1 3.72Å; W107-L135 HydrophobicContact CZ2-CD2 4.41Å; L135-K140 CarbonylContact C-O 3.56Å; L135-K140 VanDerWaalsContact CA-O 3.29Å; L135-K140 WeakPolarHBondContact CA-O 3.31Å; L135-V141 HydrophobicContact CD2-CB 4.49Å; L135-V141 HydrophobicContact CD2-CG2 3.66Å
136T91.9Very high91.4Very high22 Ų2237.1 Ų37.114%0.13518%0.184CC..  trans-88.8161.5160.1730000109.8D83 N138 G139 K140 K142D83-T136 WeakPolarHBondContact OD1-CA 3.38Å; T136-N138 PolarHBondContact O-N 3.22Å; T136-N138 VanDerWaalsContact O-N 3.16Å; T136-N138 PolarHBondContact OG1-N 3.44Å; T136-G139 PolarHBondContact O-N 3Å; T136-K140 HydrophobicContact CG2-CB 4.2Å; T136-K140 PolarHBondContact N-O 3.13Å; T136-K140 WeakPolarHBondContact OG1-CB 3.02Å; T136-K140 PolarHBondContact OG1-N 3.21Å; T136-K142 HydrophobicContact CG2-CG 4.32Å
137Q84.8Confident90.7Very high148 Ų14836.3 Ų36.369%0.69219%0.189SC*.THydrogen-bonded Turntrans-55.1-30.9174-80179.628.200113D83 G139D83-Q137 HydrophobicContact CB-CG 4.38Å; D83-Q137 VanDerWaalsContact CG-CG 3.47Å; D83-Q137 PolarHBondContact OD1-N 3.32Å; D83-Q137 WeakPolarHBondContact OD2-CG 3.32Å; D83-Q137 PolarHBondContact OD2-NE2 3.19Å; Q137-G139 PolarHBondContact O-N 3.33Å
138N84.2Confident90.1Very high146 Ų14636.4 Ų36.478%0.78119%0.191SC*.THydrogen-bonded Turntrans-8011.7176.7-63.1-16.9000113.4T136 K140T136-N138 PolarHBondContact O-N 3.22Å; T136-N138 VanDerWaalsContact O-N 3.16Å; T136-N138 PolarHBondContact OG1-N 3.44Å; N138-K140 VanDerWaalsContact C-N 3.31Å; N138-K140 PolarHBondContact O-N 2.81Å
139G82.8Confident89.1Confident31 Ų3136.3 Ų36.332%0.3219%0.191SC..  trans74.814.3175.700000114.9Q110 T136 Q137Q110-G139 PolarHBondContact NE2-O 3.47Å; T136-G139 PolarHBondContact O-N 3Å; Q137-G139 PolarHBondContact O-N 3.33Å
140K92.3Very high88.4Confident107 Ų10737.7 Ų37.747%0.46520%0.195SC..  trans-78137.6174.2-62.1-173175.9-178.80110.2L135 T136 N138L135-K140 CarbonylContact C-O 3.56Å; L135-K140 VanDerWaalsContact CA-O 3.29Å; L135-K140 WeakPolarHBondContact CA-O 3.31Å; T136-K140 HydrophobicContact CG2-CB 4.2Å; T136-K140 PolarHBondContact N-O 3.13Å; T136-K140 WeakPolarHBondContact OG1-CB 3.02Å; T136-K140 PolarHBondContact OG1-N 3.21Å; N138-K140 VanDerWaalsContact C-N 3.31Å; N138-K140 PolarHBondContact O-N 2.81Å
141V96.3Very high87.3Confident0 Ų041.1 Ų41.10%021%0.213CC..EExtended strand (participates in β ladder)trans-91.7137.4176.3173.60000110.3N61 W107 Q110 M111 I133 F134 L135N61-V141 VanDerWaalsContact CA-O 3.24Å; N61-V141 WeakPolarHBondContact CA-O 3.45Å; N61-V141 WeakPolarHBondContact CB-O 3.08Å; N61-V141 PolarHBondContact ND2-O 3.41Å; W107-V141 HydrophobicContact CB-CG2 3.86Å; W107-V141 VanDerWaalsContact CD1-CG2 3.46Å; W107-V141 HydrophobicContact CG-CG2 3.86Å; Q110-V141 HydrophobicContact CB-CB 3.73Å; Q110-V141 HydrophobicContact CB-CG1 4.47Å; Q110-V141 HydrophobicContact CB-CG2 4.08Å; M111-V141 HydrophobicContact CG-CG1 3.66Å; I133-V141 HydrophobicContact CG2-CG1 3.39Å; F134-V141 CarbonylContact O-C 3.59Å; F134-V141 WeakPolarHBondContact O-CA 3.48Å; L135-V141 HydrophobicContact CD2-CB 4.49Å; L135-V141 HydrophobicContact CD2-CG2 3.66Å
142K96.6Very high86.2Confident19 Ų1939 Ų398%0.08321%0.206CC..EExtended strand (participates in β ladder)trans-131.5115.2179.5-64.6-78.7-175.41590110.2P60 V63 E80 F134 T136P60-K142 WeakPolarHBondContact O-CD 3.45Å; P60-K142 WeakPolarHBondContact O-CE 3.21Å; P60-K142 PolarHBondContact O-NZ 3.49Å; V63-K142 HydrophobicContact CG2-CB 3.82Å; E80-K142 VanDerWaalsContact CD-NZ 3.27Å; E80-K142 WeakPolarHBondContact OE1-CE 3.38Å; E80-K142 IonicContact OE1-NZ 2.86Å; E80-K142 PolarHBondContact OE1-NZ 3.06Å; E80-K142 WeakPolarHBondContact OE2-CE 3.22Å; E80-K142 IonicContact OE2-NZ 3.15Å; E80-K142 PolarHBondContact OE2-NZ 2.58Å; F134-K142 HydrophobicContact CB-CB 4.29Å; F134-K142 PolarHBondContact N-O 3.17Å; F134-K142 PolarHBondContact O-N 3.34Å; T136-K142 HydrophobicContact CG2-CG 4.32Å
143L96Very high84.5Confident0 Ų043.7 Ų43.70%024%0.24CC..EExtended strand (participates in β ladder)trans-72.7128.6168.7-73.9137.8000109.4N61 I62 V63 G114 V115 I133N61-L143 WeakPolarHBondContact O-CB 3.31Å; N61-L143 WeakPolarHBondContact O-CD1 3.27Å; N61-L143 PolarHBondContact O-N 3.1Å; I62-L143 WeakPolarHBondContact CA-O 3.3Å; I62-L143 HydrophobicContact CG1-CB 4.5Å; V63-L143 WeakPolarHBondContact CG2-O 3.47Å; V63-L143 PolarHBondContact N-O 3.35Å; G114-L143 VanDerWaalsContact CA-CD1 3.47Å; V115-L143 HydrophobicContact CG2-CD1 4.16Å; V115-L143 HydrophobicContact CG2-CD2 4.05Å; I133-L143 HydrophobicContact CD1-CD2 3.31Å; I133-L143 HydrophobicContact CD1-CG 3.87Å
144G91.4Very high82.7Confident1 Ų146 Ų461%0.0125%0.252CS..  trans-133.8-174.1177.500000113.6H125 N132H125-G144 PolarHBondContact CE1-O 3.1Å; H125-G144 VanDerWaalsContact CE1-O 3.26Å; H125-G144 PolarHBondContact NE2-O 3.05Å; H125-G144 VanDerWaalsContact NE2-O 3.14Å; N132-G144 PolarHBondContact O-N 3.38Å
145D83.6Confident80.6Confident43 Ų4348.4 Ų48.423%0.2327%0.273CS..  trans59.486.8-179.4-167.714.2000114.7K33 H125 N132K33-D145 IonicContact NZ-OD1 2.7Å; K33-D145 PolarHBondContact NZ-OD1 3.19Å; H125-D145 PolarHBondContact CE1-O 3.01Å; N132-D145 HydrophobicContact CB-CB 4.32Å; N132-D145 WeakPolarHBondContact ND2-CB 3.39Å; N132-D145 PolarHBondContact ND2-OD2 3.23Å; N132-D145 VanDerWaalsContact ND2-OD2 3.13Å
146F80.2Confident78.7Confident0 Ų054 Ų540%030%0.301CS..  trans-96.413.4-178.2-77.4-109.4000112.5E50 L54 M57 I62 I118 S148 A149E50-F146 HydrophobicContact CG-CB 4.03Å; E50-F146 PolarHBondContact OE1-N 2.82Å; L54-F146 HydrophobicContact CD1-CD2 3.58Å; L54-F146 HydrophobicContact CD1-CE2 3.65Å; L54-F146 HydrophobicContact CD1-CG 4.21Å; L54-F146 HydrophobicContact CD1-CZ 4.34Å; M57-F146 HydrophobicContact CG-CE1 3.84Å; M57-F146 HydrophobicContact CG-CZ 4.19Å; I62-F146 HydrophobicContact CG2-CE2 3.73Å; I62-F146 HydrophobicContact CG2-CZ 3.65Å; I118-F146 HydrophobicContact CD1-CE1 3.95Å; I118-F146 HydrophobicContact CD1-CZ 3.73Å; I118-F146 HydrophobicContact CG1-CE1 4.12Å; I118-F146 HydrophobicContact CG1-CZ 4.17Å; F146-S148 PolarHBondContact O-N 2.94Å; F146-A149 HydrophobicContact CB-CB 4.03Å; F146-A149 HydrophobicContact CD1-CB 3.81Å; F146-A149 HydrophobicContact CG-CB 4.32Å; F146-A149 VanDerWaalsContact O-CB 3.27Å; F146-A149 WeakPolarHBondContact O-CB 3.5Å; F146-A149 PolarHBondContact O-N 2.81Å
147G75.6Confident76.7Confident24 Ų2452.9 Ų52.925%0.24729%0.294CS..THydrogen-bonded Turntrans-58.2-36-177.100000113.6E50 R150E50-G147 VanDerWaalsContact CD-N 3.31Å; E50-G147 VanDerWaalsContact OE2-CA 3.24Å; E50-G147 WeakPolarHBondContact OE2-CA 3.47Å; E50-G147 PolarHBondContact OE2-N 3.38Å; G147-R150 PolarHBondContact O-NH1 3.09Å; G147-R150 VanDerWaalsContact O-NH1 3.13Å
148S75Confident75.3Confident23 Ų2349.6 Ų49.616%0.16128%0.278CS..THydrogen-bonded Turntrans-89.6-7.1177-62.50000113.8R126 F146R126-S148 WeakPolarHBondContact CD-O 3.2Å; F146-S148 PolarHBondContact O-N 2.94Å
149A74.9Confident73.6Confident0 Ų043.5 Ų43.50%025%0.248CC..  trans-68.7144.9-173.200000112L53 V123 L124 F146L53-A149 HydrophobicContact CD1-CB 3.9Å; L53-A149 WeakPolarHBondContact CD1-O 3.44Å; V123-A149 HydrophobicContact CG1-CB 4.17Å; L124-A149 WeakPolarHBondContact O-CA 3.29Å; L124-A149 WeakPolarHBondContact O-CB 3.16Å; F146-A149 HydrophobicContact CB-CB 4.03Å; F146-A149 HydrophobicContact CD1-CB 3.81Å; F146-A149 HydrophobicContact CG-CB 4.32Å; F146-A149 VanDerWaalsContact O-CB 3.27Å; F146-A149 WeakPolarHBondContact O-CB 3.5Å; F146-A149 PolarHBondContact O-N 2.81Å
150R78.3Confident71.9Confident55 Ų5544.9 Ų44.921%0.20825%0.252CS..EExtended strand (participates in β ladder)trans-142.3143.4-177.8-62.1-65.8178.4-99.41.3111.5V123 L124 G147 A157V123-R150 WeakPolarHBondContact CA-O 3.38Å; L124-R150 PolarHBondContact N-O 3.47Å; L124-R150 PolarHBondContact O-N 3.16Å; G147-R150 PolarHBondContact O-NH1 3.09Å; G147-R150 VanDerWaalsContact O-NH1 3.13Å; R150-A157 HydrophobicContact CB-CB 3.81Å
151L73.8Confident69.6Low72 Ų7244.6 Ų44.638%0.37726%0.259SS..EExtended strand (participates in β ladder)trans-72.2135.2169.1-75.9160.5000110L53 V123 S153 N154 A157L53-L151 HydrophobicContact CD2-CD1 4.21Å; L53-L151 HydrophobicContact CD2-CD2 4.37Å; L53-L151 HydrophobicContact CD2-CG 3.92Å; V123-L151 HydrophobicContact CG2-CD2 3.57Å; V123-L151 HydrophobicContact CG2-CG 4.24Å; L151-S153 PolarHBondContact O-N 2.9Å; L151-S153 VanDerWaalsContact O-N 3.16Å; L151-N154 WeakPolarHBondContact O-CB 3.38Å; L151-N154 PolarHBondContact O-N 3.19Å; L151-A157 VanDerWaalsContact O-CB 3.29Å; L151-A157 WeakPolarHBondContact O-CB 3.38Å
152L68.6Low67.3Low57 Ų5750.1 Ų50.130%0.29828%0.281SS..THydrogen-bonded Turntrans-61.2-21.7179.1-76.3171.2000113.9R122 L124 N154 F158R122-L152 HydrophobicContact CB-CB 4.42Å; R122-L152 HydrophobicContact CB-CD1 4.21Å; R122-L152 WeakPolarHBondContact O-CB 3.47Å; R122-L152 PolarHBondContact O-N 3.49Å; L124-L152 HydrophobicContact CD1-CD2 3.44Å; L124-L152 VanDerWaalsContact CD1-CD2 3.44Å; L124-L152 HydrophobicContact CD1-CG 4.4Å; L124-L152 HydrophobicContact CD2-CD2 3.93Å; L124-L152 HydrophobicContact CD2-CG 4.49Å; L124-L152 HydrophobicContact CG-CD2 3.55Å; L124-L152 HydrophobicContact CG-CG 4.07Å; L152-N154 PolarHBondContact O-N 3.27Å; L152-F158 HydrophobicContact CD2-CE1 4.35Å; L152-F158 HydrophobicContact CD2-CZ 4.19Å
153S59.2Low64.7Low107 Ų10753.1 Ų53.175%0.74830%0.301SS*.THydrogen-bonded Turntrans-70.3-9.9174.454.70000113.7L151L151-S153 PolarHBondContact O-N 2.9Å; L151-S153 VanDerWaalsContact O-N 3.16Å
154N58.5Low62.6Low49 Ų4954.5 Ų54.526%0.26232%0.315SS..SBendtrans-90.6123.8177.7-170.8-29.9000110.2L151 L152 M156 A157L151-N154 WeakPolarHBondContact O-CB 3.38Å; L151-N154 PolarHBondContact O-N 3.19Å; L152-N154 PolarHBondContact O-N 3.27Å; N154-M156 PolarHBondContact O-N 2.74Å; N154-M156 VanDerWaalsContact O-N 3.11Å; N154-M156 WeakPolarHBondContact OD1-CB 3.36Å; N154-M156 PolarHBondContact OD1-N 3.18Å; N154-A157 HydrophobicContact CB-CB 4.38Å; N154-A157 WeakPolarHBondContact O-CB 3.12Å; N154-A157 PolarHBondContact O-N 3.13Å
155P52.6Low61Low108 Ų10857.3 Ų57.370%0.70133%0.332SS*.G310 helixtrans-54.5-31.5175.2-25.834.3000113.5A157P155-A157 VanDerWaalsContact C-N 3.26Å; P155-A157 PolarHBondContact O-N 3.38Å
156M55.7Low60.7Low121 Ų12155.8 Ų55.860%0.59632%0.324SS*.G310 helixtrans-76.2-8176.3-61.7-60.8-68.100113.8R126 N154 F158 A159R126-M156 PolarHBondContact NH1-O 3.47Å; R126-M156 VanDerWaalsContact NH1-O 3.13Å; N154-M156 PolarHBondContact O-N 2.74Å; N154-M156 VanDerWaalsContact O-N 3.11Å; N154-M156 WeakPolarHBondContact OD1-CB 3.36Å; N154-M156 PolarHBondContact OD1-N 3.18Å; M156-F158 PolarHBondContact O-N 3.13Å; M156-A159 HydrophobicContact CE-CB 3.96Å; M156-A159 WeakPolarHBondContact O-CB 3.34Å; M156-A159 PolarHBondContact O-N 3.11Å; M156-A159 VanDerWaalsContact O-N 3.08Å
157A50.6Low61.1Low0 Ų059 Ų590%034%0.337CS..G310 helixtrans-61.2-28.517300000111.7L124 R126 R150 L151 N154 P155L124-A157 HydrophobicContact CD1-CB 4.43Å; R126-A157 PolarHBondContact NH1-O 2.86Å; R150-A157 HydrophobicContact CB-CB 3.81Å; L151-A157 VanDerWaalsContact O-CB 3.29Å; L151-A157 WeakPolarHBondContact O-CB 3.38Å; N154-A157 HydrophobicContact CB-CB 4.38Å; N154-A157 WeakPolarHBondContact O-CB 3.12Å; N154-A157 PolarHBondContact O-N 3.13Å; P155-A157 VanDerWaalsContact C-N 3.26Å; P155-A157 PolarHBondContact O-N 3.38Å
158F54.1Low61.9Low78 Ų7858.4 Ų58.434%0.34233%0.327SS..G310 helixtrans-87.2-3.8177.4-61.8-69.9000113.8L152 M156 C160 P178 Y179L152-F158 HydrophobicContact CD2-CE1 4.35Å; L152-F158 HydrophobicContact CD2-CZ 4.19Å; M156-F158 PolarHBondContact O-N 3.13Å; F158-C160 PolarHBondContact O-N 3.38Å; F158-P178 HydrophobicContact CB-CB 3.86Å; F158-P178 HydrophobicContact CD1-CB 3.58Å; F158-P178 HydrophobicContact CG-CB 4.05Å; F158-Y179 WeakPolarHBondContact CD1-O 3.47Å
159A48.7Very low62.6Low19 Ų1958.5 Ų58.516%0.15733%0.327CS..  trans-61.2134.8-172.900000112.8R126 M156 T161R126-A159 PolarHBondContact NH2-O 2.92Å; M156-A159 HydrophobicContact CE-CB 3.96Å; M156-A159 WeakPolarHBondContact O-CB 3.34Å; M156-A159 PolarHBondContact O-N 3.11Å; M156-A159 VanDerWaalsContact O-N 3.08Å; A159-T161 PolarHBondContact O-N 2.98Å
160C48.3Very low63.5Low59 Ų5958.6 Ų58.640%0.39933%0.327SS..  trans-73.312.1-176.2-48.60000114.7F158 Y162F158-C160 PolarHBondContact O-N 3.38Å; C160-Y162 PolarHBondContact O-N 3.3Å
161T44.4Very low64.2Low101 Ų10156 Ų5662%0.6232%0.318SS*.  trans-72.7116.6-170.39.30000111.7A159A159-T161 PolarHBondContact O-N 2.98Å
162Y46.6Very low65.1Low116 Ų11652.7 Ų52.746%0.45530%0.3SS..  trans-71.7123.9177.9170.2-99000111.5C160 G164 W174 W207C160-Y162 PolarHBondContact O-N 3.3Å; Y162-G164 WeakPolarHBondContact CE2-O 3.44Å; Y162-G164 PolarHBondContact OH-O 3.25Å; Y162-W174 HydrophobicContact CD2-CH2 4.29Å; Y162-W174 HydrophobicContact CE2-CH2 4.38Å; Y162-W207 HydrophobicContact CE2-CH2 4.13Å; Y162-W207 HydrophobicContact CE2-CZ3 4.33Å; Y162-W207 AromaticContact CZ-CH2 3.78Å; Y162-W207 WeakPolarHBondContact OH-CH2 3.26Å
163V42.6Very low66.1Low83 Ų8351 Ų5150%0.50329%0.291SS..  trans-144.2118.9165-172.50000107.7F15F15-V163 HydrophobicContact CE2-CG1 4.35Å
164G51.1Low67.3Low29 Ų2948.7 Ų48.730%0.29927%0.266SS..SBendtrans123.4-169.4169.800000116.8Y162Y162-G164 WeakPolarHBondContact CE2-O 3.44Å; Y162-G164 PolarHBondContact OH-O 3.25Å
165T59.4Low68.7Low59 Ų5949.8 Ų49.836%0.36227%0.27SS..  trans-76.7125.6-178.3-49.60000110.4Y167T165-Y167 HydrophobicContact CG2-CD2 3.31Å; T165-Y167 HydrophobicContact CG2-CE2 3.74Å; T165-Y167 HydrophobicContact CG2-CG 4.3Å; T165-Y167 PolarHBondContact O-N 3.39Å
166P77.2Confident70.1Confident12 Ų1250.6 Ų50.68%0.07827%0.268CS..G310 helixtrans-69.1-12.8-166.130.8-40.5000116.3Y168 V169 W174 W207 L210P166-Y168 PolarHBondContact O-N 3.22Å; P166-Y168 VanDerWaalsContact O-N 3.1Å; P166-V169 PolarHBondContact O-N 3.38Å; P166-W174 HydrophobicContact CB-CZ2 4.25Å; P166-W207 HydrophobicContact CB-CE3 4.15Å; P166-W207 HydrophobicContact CB-CH2 3.26Å; P166-W207 HydrophobicContact CB-CZ2 4.34Å; P166-W207 HydrophobicContact CB-CZ3 3.14Å; P166-W207 HydrophobicContact CG-CE3 4.37Å; P166-W207 HydrophobicContact CG-CH2 3.18Å; P166-W207 HydrophobicContact CG-CZ2 3.83Å; P166-W207 HydrophobicContact CG-CZ3 3.53Å; P166-L210 HydrophobicContact CB-CD2 3.76Å; P166-L210 HydrophobicContact CG-CD2 3.67Å
167Y87.1Confident71.7Confident66 Ų6648.8 Ų48.826%0.25926%0.261SS..G310 helixtrans-65.3-13.5-175-56.6-58.6000114.2T165 C190 H200 F202 L210T165-Y167 HydrophobicContact CG2-CD2 3.31Å; T165-Y167 HydrophobicContact CG2-CE2 3.74Å; T165-Y167 HydrophobicContact CG2-CG 4.3Å; T165-Y167 PolarHBondContact O-N 3.39Å; Y167-C190 PolarHBondContact O-SG 2.91Å; Y167-C190 VanDerWaalsContact O-SG 3.32Å; Y167-H200 HydrophobicContact CD1-CB 4.22Å; Y167-H200 AromaticContact CD2-CD2 3.31Å; Y167-H200 WeakPolarHBondContact CD2-CD2 3.44Å; Y167-H200 AromaticContact CD2-CE1 3.93Å; Y167-H200 AromaticContact CD2-CG 3.91Å; Y167-H200 AromaticContact CD2-NE2 3.35Å; Y167-H200 VanDerWaalsContact CD2-NE2 3.35Å; Y167-H200 WeakPolarHBondContact CD2-NE2 3.39Å; Y167-H200 AromaticContact CE2-CD2 3.68Å; Y167-H200 AromaticContact CE2-NE2 3.8Å; Y167-H200 HydrophobicContact CG-CB 4.15Å; Y167-H200 AromaticContact CG-CD2 3.54Å; Y167-H200 AromaticContact CG-CG 3.7Å; Y167-H200 AromaticContact CG-NE2 3.96Å; Y167-F202 VanDerWaalsContact CD1-O 3.3Å; Y167-F202 WeakPolarHBondContact CD1-O 3.35Å; Y167-L210 HydrophobicContact CD1-CD1 4.2Å; Y167-L210 HydrophobicContact CD1-CD2 4.08Å; Y167-L210 HydrophobicContact CE1-CD1 4.35Å; Y167-L210 HydrophobicContact CE1-CD2 4.04Å
168Y92.4Very high73.4Confident12 Ų1252.1 Ų52.15%0.04728%0.282CS..G310 helixtrans-104.4-9.7179.4-58-86.7000113.5K129 S130 P166 S187 C190 I191 E194K129-Y168 HydrophobicContact CB-CD1 4.02Å; K129-Y168 HydrophobicContact CB-CD2 3.7Å; K129-Y168 HydrophobicContact CB-CE1 3.91Å; K129-Y168 HydrophobicContact CB-CE2 3.55Å; K129-Y168 HydrophobicContact CB-CG 3.94Å; S130-Y168 PolarHBondContact N-OH 3.41Å; S130-Y168 PolarHBondContact OG-OH 3.03Å; P166-Y168 PolarHBondContact O-N 3.22Å; P166-Y168 VanDerWaalsContact O-N 3.1Å; Y168-S187 PolarHBondContact O-OG 3.43Å; Y168-C190 HydrophobicContact CD1-CB 3.57Å; Y168-C190 HydrophobicContact CE1-CB 3.82Å; Y168-I191 HydrophobicContact CD1-CG1 4.44Å; Y168-I191 HydrophobicContact CE1-CG1 3.84Å; Y168-E194 WeakPolarHBondContact CE1-OE2 3.27Å; Y168-E194 PolarHBondContact OH-OE1 2.97Å; Y168-E194 PolarHBondContact OH-OE2 3.06Å
169V90.4Very high75Confident25 Ų2549.1 Ų49.115%0.15227%0.269CS..  trans-73.6124.8-173-177.80000109.8P166 I173 W174P166-V169 PolarHBondContact O-N 3.38Å; V169-I173 HydrophobicContact CG1-CB 3.72Å; V169-I173 HydrophobicContact CG1-CG1 4.42Å; V169-I173 HydrophobicContact CG1-CG2 3.77Å; V169-W174 HydrophobicContact CB-CZ2 3.63Å; V169-W174 HydrophobicContact CG1-CD2 4.14Å; V169-W174 VanDerWaalsContact CG1-CE2 3.47Å; V169-W174 HydrophobicContact CG1-CG 4.49Å; V169-W174 HydrophobicContact CG1-CH2 4.45Å; V169-W174 HydrophobicContact CG1-CZ2 3.67Å; V169-W174 HydrophobicContact CG2-CZ2 4Å; V169-W174 PolarHBondContact O-NE1 3.01Å
170P93Very high77Confident2 Ų250 Ų501%0.01327%0.271CS..  trans-81.1161-176.335.9-37.3000112E172 I173 W186P170-E172 VanDerWaalsContact C-N 3.29Å; P170-E172 WeakPolarHBondContact CB-OE2 3.48Å; P170-E172 HydrophobicContact CG-CG 4.27Å; P170-E172 WeakPolarHBondContact CG-OE1 3.42Å; P170-E172 PolarHBondContact O-N 2.94Å; P170-I173 HydrophobicContact CG-CG1 3.81Å; P170-I173 PolarHBondContact O-N 3.03Å; P170-I173 VanDerWaalsContact O-N 3.12Å; P170-W186 HydrophobicContact CB-CB 3.74Å; P170-W186 HydrophobicContact CB-CD2 3.9Å; P170-W186 HydrophobicContact CB-CG 3.48Å; P170-W186 VanDerWaalsContact CB-CG 3.48Å
171P93.7Very high79.2Confident0 Ų049.9 Ų49.90%027%0.266CS..Hα-helixtrans-59-36.1-172.622.6-34.8000113.6I173 W174 E175 W186 V214 R240P171-I173 PolarHBondContact O-N 2.8Å; P171-W174 PolarHBondContact O-N 2.56Å; P171-W174 VanDerWaalsContact O-N 3.13Å; P171-E175 WeakPolarHBondContact O-CG 3.48Å; P171-E175 PolarHBondContact O-N 3.37Å; P171-E175 VanDerWaalsContact O-N 3.08Å; P171-W186 HydrophobicContact CG-CE3 4.34Å; P171-W186 HydrophobicContact CG-CH2 4.01Å; P171-W186 HydrophobicContact CG-CZ3 3.89Å; P171-V214 HydrophobicContact CB-CG1 4.28Å; P171-R240 HydrophobicContact CB-CG 4.41Å; P171-R240 HydrophobicContact CG-CG 4.29Å
172E92.6Very high81.7Confident3 Ų346.7 Ų46.71%0.01424%0.244CC..Hα-helixtrans-59.5-32179.663.4-91.3-153.100112.6P170 E175 N176 L177 S183 P242 R245P170-E172 VanDerWaalsContact C-N 3.29Å; P170-E172 WeakPolarHBondContact CB-OE2 3.48Å; P170-E172 HydrophobicContact CG-CG 4.27Å; P170-E172 WeakPolarHBondContact CG-OE1 3.42Å; P170-E172 PolarHBondContact O-N 2.94Å; E172-E175 CarbonylContact O-C 3.51Å; E172-E175 PolarHBondContact O-N 3.36Å; E172-N176 PolarHBondContact O-N 3.47Å; E172-L177 HydrophobicContact CB-CB 3.92Å; E172-L177 HydrophobicContact CB-CD1 4.17Å; E172-L177 WeakPolarHBondContact O-CA 3.47Å; E172-L177 VanDerWaalsContact O-CB 3.28Å; E172-L177 WeakPolarHBondContact O-CB 3.34Å; E172-L177 PolarHBondContact O-N 3.37Å; E172-S183 WeakPolarHBondContact OE1-CA 3.33Å; E172-S183 WeakPolarHBondContact OE1-CB 3.47Å; E172-S183 PolarHBondContact OE1-OG 3.33Å; E172-P242 HydrophobicContact CB-CG 4.09Å; E172-P242 HydrophobicContact CG-CG 4.06Å; E172-R245 IonicContact OE1-CZ 3.06Å; E172-R245 IonicContact OE1-NH1 2.75Å; E172-R245 PolarHBondContact OE1-NH1 3.13Å; E172-R245 IonicContact OE1-NH2 2.7Å; E172-R245 IonicContact OE2-CZ 3.71Å; E172-R245 IonicContact OE2-NH1 3.27Å; E172-R245 PolarHBondContact OE2-NH1 3.24Å; E172-R245 IonicContact OE2-NH2 2.75Å; E172-R245 PolarHBondContact OE2-NH2 2.89Å
173I89.5Confident84Confident22 Ų2241.2 Ų41.211%0.11322%0.222CC..Hα-helixtrans-73.8-37.4178.6-59.3-59000111.2V169 P170 P171 E175 N176 Y179V169-I173 HydrophobicContact CG1-CB 3.72Å; V169-I173 HydrophobicContact CG1-CG1 4.42Å; V169-I173 HydrophobicContact CG1-CG2 3.77Å; P170-I173 HydrophobicContact CG-CG1 3.81Å; P170-I173 PolarHBondContact O-N 3.03Å; P170-I173 VanDerWaalsContact O-N 3.12Å; P171-I173 PolarHBondContact O-N 2.8Å; I173-E175 PolarHBondContact O-N 2.96Å; I173-N176 PolarHBondContact O-N 3.2Å; I173-N176 VanDerWaalsContact O-N 3.16Å; I173-Y179 HydrophobicContact CD1-CD2 3.63Å; I173-Y179 HydrophobicContact CD1-CG 4.1Å; I173-Y179 HydrophobicContact CG1-CD2 3.91Å
174W85.6Confident86.6Confident59 Ų5937.2 Ų37.222%0.22320%0.198CC..Hα-helixtrans-67.9-22.6173.7-61.9118.6000112.9Y162 P166 V169 P171 N176 W207 I211Y162-W174 HydrophobicContact CD2-CH2 4.29Å; Y162-W174 HydrophobicContact CE2-CH2 4.38Å; P166-W174 HydrophobicContact CB-CZ2 4.25Å; V169-W174 HydrophobicContact CB-CZ2 3.63Å; V169-W174 HydrophobicContact CG1-CD2 4.14Å; V169-W174 VanDerWaalsContact CG1-CE2 3.47Å; V169-W174 HydrophobicContact CG1-CG 4.49Å; V169-W174 HydrophobicContact CG1-CH2 4.45Å; V169-W174 HydrophobicContact CG1-CZ2 3.67Å; V169-W174 HydrophobicContact CG2-CZ2 4Å; V169-W174 PolarHBondContact O-NE1 3.01Å; P171-W174 PolarHBondContact O-N 2.56Å; P171-W174 VanDerWaalsContact O-N 3.13Å; W174-N176 VanDerWaalsContact C-N 3.32Å; W174-W207 HydrophobicContact CH2-CE3 4.42Å; W174-W207 AromaticContact CH2-CZ3 3.91Å; W174-W207 HydrophobicContact CH2-CZ3 3.91Å; W174-W207 HydrophobicContact CZ2-CZ3 4.49Å; W174-I211 HydrophobicContact CB-CG2 3.85Å; W174-I211 HydrophobicContact CD2-CD1 4.2Å; W174-I211 HydrophobicContact CD2-CG1 3.73Å; W174-I211 HydrophobicContact CD2-CG2 4.19Å; W174-I211 HydrophobicContact CE3-CD1 3.67Å; W174-I211 HydrophobicContact CE3-CG1 3.74Å; W174-I211 HydrophobicContact CE3-CG2 4.49Å; W174-I211 HydrophobicContact CG-CG1 4.29Å; W174-I211 HydrophobicContact CG-CG2 3.91Å; W174-I211 HydrophobicContact CH2-CD1 4.37Å; W174-I211 HydrophobicContact CH2-CG1 4.28Å; W174-I211 HydrophobicContact CZ2-CG1 4.24Å; W174-I211 HydrophobicContact CZ3-CD1 3.77Å; W174-I211 HydrophobicContact CZ3-CG1 4.03Å
175E86.2Confident88.8Confident71 Ų7135.9 Ų35.933%0.33218%0.184SC..THydrogen-bonded Turntrans-92.711.1176-66.3171.7177.500112.6P171 E172 I173 L177 R240P171-E175 WeakPolarHBondContact O-CG 3.48Å; P171-E175 PolarHBondContact O-N 3.37Å; P171-E175 VanDerWaalsContact O-N 3.08Å; E172-E175 CarbonylContact O-C 3.51Å; E172-E175 PolarHBondContact O-N 3.36Å; I173-E175 PolarHBondContact O-N 2.96Å; E175-L177 HydrophobicContact CB-CD1 4.31Å; E175-L177 HydrophobicContact CB-CG 4.24Å; E175-L177 PolarHBondContact O-N 3.23Å; E175-R240 IonicContact OE1-CZ 3.1Å; E175-R240 VanDerWaalsContact OE1-CZ 3.27Å; E175-R240 IonicContact OE1-NE 3.29Å; E175-R240 PolarHBondContact OE1-NE 3.12Å; E175-R240 IonicContact OE1-NH2 2.63Å; E175-R240 PolarHBondContact OE1-NH2 3.17Å
176N83.8Confident90.7Very high126 Ų12633 Ų3367%0.67417%0.167SC*.THydrogen-bonded Turntrans57.727.7-177.4-62.5-51.2000114.4E172 I173 W174E172-N176 PolarHBondContact O-N 3.47Å; I173-N176 PolarHBondContact O-N 3.2Å; I173-N176 VanDerWaalsContact O-N 3.16Å; W174-N176 VanDerWaalsContact C-N 3.32Å
177L87.8Confident91.6Very high83 Ų8332.7 Ų32.744%0.43517%0.165SC..PPolyproline II helixtrans-91155.6174.4-60.6174.2000111.3E172 E175 Y179E172-L177 HydrophobicContact CB-CB 3.92Å; E172-L177 HydrophobicContact CB-CD1 4.17Å; E172-L177 WeakPolarHBondContact O-CA 3.47Å; E172-L177 VanDerWaalsContact O-CB 3.28Å; E172-L177 WeakPolarHBondContact O-CB 3.34Å; E172-L177 PolarHBondContact O-N 3.37Å; E175-L177 HydrophobicContact CB-CD1 4.31Å; E175-L177 HydrophobicContact CB-CG 4.24Å; E175-L177 PolarHBondContact O-N 3.23Å; L177-Y179 PolarHBondContact O-N 2.86Å
178P86.2Confident92.1Very high70 Ų7029.6 Ų29.646%0.45515%0.152SC..PPolyproline II helixtrans-57.1132.1180-31.139.3000115.4F158 N180F158-P178 HydrophobicContact CB-CB 3.86Å; F158-P178 HydrophobicContact CD1-CB 3.58Å; F158-P178 HydrophobicContact CG-CB 4.05Å; P178-N180 PolarHBondContact O-ND2 3.23Å
179Y88.5Confident92.4Very high15 Ų1529 Ų296%0.05915%0.15CC..PPolyproline II helixtrans-63.8134.3167.8-161.7-76.2000110.7L124 R126 F158 I173 L177 S183 D184L124-Y179 HydrophobicContact CB-CD1 4.45Å; L124-Y179 HydrophobicContact CB-CE1 4.42Å; L124-Y179 HydrophobicContact CD1-CD1 3.92Å; L124-Y179 HydrophobicContact CD2-CD1 4.43Å; R126-Y179 HydrophobicContact CB-CE1 4.43Å; R126-Y179 HydrophobicContact CG-CD1 3.89Å; R126-Y179 HydrophobicContact CG-CE1 3.75Å; R126-Y179 HydrophobicContact CG-CG 4.33Å; F158-Y179 WeakPolarHBondContact CD1-O 3.47Å; I173-Y179 HydrophobicContact CD1-CD2 3.63Å; I173-Y179 HydrophobicContact CD1-CG 4.1Å; I173-Y179 HydrophobicContact CG1-CD2 3.91Å; L177-Y179 PolarHBondContact O-N 2.86Å; Y179-S183 VanDerWaalsContact CE1-CB 3.43Å; Y179-S183 VanDerWaalsContact CE2-CB 3.47Å; Y179-D184 WeakPolarHBondContact CE1-OD1 3.46Å; Y179-D184 PolarHBondContact OH-N 2.87Å; Y179-D184 PolarHBondContact OH-OD1 3.4Å
180N91.2Very high92.8Very high38 Ų3827.8 Ų27.820%0.20314%0.143CC..  trans-139.8-177.7179.762.369.1000111.7L124 P178 K182 S183L124-N180 VanDerWaalsContact CD2-C 3.4Å; P178-N180 PolarHBondContact O-ND2 3.23Å; N180-K182 PolarHBondContact O-N 2.93Å; N180-K182 VanDerWaalsContact O-N 3.16Å; N180-K182 WeakPolarHBondContact OD1-CA 3.2Å; N180-K182 WeakPolarHBondContact OD1-CB 3.39Å; N180-K182 PolarHBondContact OD1-N 3.46Å; N180-S183 PolarHBondContact N-OG 3.33Å; N180-S183 WeakPolarHBondContact O-CB 3.38Å; N180-S183 PolarHBondContact O-N 3.47Å; N180-S183 PolarHBondContact O-OG 3.24Å; N180-S183 PolarHBondContact OD1-N 3.31Å
181N93.9Very high93Very high55 Ų5527.7 Ų27.729%0.29414%0.142SC..Hα-helixtrans-62.4-24.9-177.866.3-54.2000112.8H119 L124 S183 D184 I185H119-N181 PolarHBondContact CE1-O 3.08Å; L124-N181 HydrophobicContact CD2-CB 4.07Å; L124-N181 VanDerWaalsContact CD2-N 3.31Å; N181-S183 VanDerWaalsContact C-N 3.33Å; N181-D184 WeakPolarHBondContact O-CB 3.36Å; N181-D184 PolarHBondContact O-N 3.34Å; N181-I185 WeakPolarHBondContact O-CG1 3.44Å; N181-I185 PolarHBondContact O-N 3.45Å
182K96.9Very high93.2Very high35 Ų3527.7 Ų27.715%0.15214%0.142CC..Hα-helixtrans-80-15.9175.9-50.3-63.1-169.668.80112.8N180 I185 W186 P242 S243 R245N180-K182 PolarHBondContact O-N 2.93Å; N180-K182 VanDerWaalsContact O-N 3.16Å; N180-K182 WeakPolarHBondContact OD1-CA 3.2Å; N180-K182 WeakPolarHBondContact OD1-CB 3.39Å; N180-K182 PolarHBondContact OD1-N 3.46Å; K182-I185 HydrophobicContact CD-CG1 4.38Å; K182-I185 PolarHBondContact O-N 3.21Å; K182-W186 PolarHBondContact O-N 3.25Å; K182-W186 VanDerWaalsContact O-N 3.1Å; K182-P242 HydrophobicContact CB-CB 3.85Å; K182-P242 WeakPolarHBondContact CB-O 3.35Å; K182-P242 VanDerWaalsContact CG-O 3.28Å; K182-P242 WeakPolarHBondContact CG-O 3.16Å; K182-S243 PolarHBondContact NZ-O 3.33Å; K182-R245 HydrophobicContact CB-CB 4.32Å; K182-R245 HydrophobicContact CD-CB 4.43Å; K182-R245 WeakPolarHBondContact CE-O 3.35Å; K182-R245 PolarHBondContact NZ-O 3.08Å; K182-R245 WeakPolarHBondContact O-CD 3.44Å; K182-R245 PolarHBondContact O-NH1 3.16Å
183S95.3Very high93.5Very high0 Ų028.2 Ų28.20%014%0.144CC..Hα-helixtrans-69-38.6168.6-51.70000110.7E172 Y179 N180 N181 I185 W186 S187E172-S183 WeakPolarHBondContact OE1-CA 3.33Å; E172-S183 WeakPolarHBondContact OE1-CB 3.47Å; E172-S183 PolarHBondContact OE1-OG 3.33Å; Y179-S183 VanDerWaalsContact CE1-CB 3.43Å; Y179-S183 VanDerWaalsContact CE2-CB 3.47Å; N180-S183 PolarHBondContact N-OG 3.33Å; N180-S183 WeakPolarHBondContact O-CB 3.38Å; N180-S183 PolarHBondContact O-N 3.47Å; N180-S183 PolarHBondContact O-OG 3.24Å; N180-S183 PolarHBondContact OD1-N 3.31Å; N181-S183 VanDerWaalsContact C-N 3.33Å; S183-I185 VanDerWaalsContact C-N 3.31Å; S183-I185 PolarHBondContact O-N 3.5Å; S183-W186 WeakPolarHBondContact O-CB 3.45Å; S183-W186 PolarHBondContact O-N 2.72Å; S183-S187 PolarHBondContact O-N 2.74Å; S183-S187 PolarHBondContact O-OG 3.26Å; S183-S187 VanDerWaalsContact O-OG 3.13Å
184D96.6Very high93.9Very high0 Ų027.5 Ų27.50%014%0.14CC..Hα-helixtrans-63.1-37.6169.9-78.1-17.7000111.4H119 H125 R126 I128 Y179 N181 W186 S187 L188H119-D184 IonicContact CD2-OD2 3.67Å; H119-D184 IonicContact CE1-OD2 2.77Å; H119-D184 WeakPolarHBondContact NE2-CB 3.46Å; H119-D184 IonicContact NE2-OD2 3.25Å; H119-D184 PolarHBondContact NE2-OD2 2.93Å; H125-D184 PolarHBondContact N-OD2 3.39Å; R126-D184 PolarHBondContact N-OD1 3.32Å; I128-D184 HydrophobicContact CD1-CB 3.66Å; Y179-D184 WeakPolarHBondContact CE1-OD1 3.46Å; Y179-D184 PolarHBondContact OH-N 2.87Å; Y179-D184 PolarHBondContact OH-OD1 3.4Å; N181-D184 WeakPolarHBondContact O-CB 3.36Å; N181-D184 PolarHBondContact O-N 3.34Å; D184-W186 PolarHBondContact O-N 3.49Å; D184-S187 WeakPolarHBondContact O-CB 3.29Å; D184-S187 PolarHBondContact O-N 3.09Å; D184-L188 WeakPolarHBondContact O-CB 2.94Å; D184-L188 PolarHBondContact O-N 3.19Å
185I98.3Very high94.5Very high0 Ų024.7 Ų24.70%013%0.13CC..Hα-helixtrans-64.9-39.2176.8-58.1-59.8000111.8V115 N181 K182 S183 S187 L188 G189 M237 R245 P246 A248 L251V115-I185 HydrophobicContact CG1-CD1 4.49Å; N181-I185 WeakPolarHBondContact O-CG1 3.44Å; N181-I185 PolarHBondContact O-N 3.45Å; K182-I185 HydrophobicContact CD-CG1 4.38Å; K182-I185 PolarHBondContact O-N 3.21Å; S183-I185 VanDerWaalsContact C-N 3.31Å; S183-I185 PolarHBondContact O-N 3.5Å; I185-S187 VanDerWaalsContact C-N 3.34Å; I185-L188 PolarHBondContact O-N 2.92Å; I185-G189 PolarHBondContact O-N 2.82Å; I185-M237 HydrophobicContact CG2-CB 4.37Å; I185-M237 HydrophobicContact CG2-CE 3.99Å; I185-M237 HydrophobicContact CG2-CG 4.07Å; I185-M237 WeakPolarHBondContact O-CE 3.37Å; I185-R245 HydrophobicContact CG2-CB 4.39Å; I185-P246 WeakPolarHBondContact CG1-O 3.35Å; I185-P246 WeakPolarHBondContact CG2-O 3.25Å; I185-A248 HydrophobicContact CD1-CB 4.1Å; I185-L251 HydrophobicContact CD1-CD1 4.22Å; I185-L251 HydrophobicContact CG2-CD1 4.26Å
186W97.6Very high95.1Very high0 Ų021.3 Ų21.30%011%0.114CC..Hα-helixtrans-59.8-47.3173176.3-79.4000111.5P170 P171 K182 S183 D184 L188 G189 C190 F202 V214 F238P170-W186 HydrophobicContact CB-CB 3.74Å; P170-W186 HydrophobicContact CB-CD2 3.9Å; P170-W186 HydrophobicContact CB-CG 3.48Å; P170-W186 VanDerWaalsContact CB-CG 3.48Å; P171-W186 HydrophobicContact CG-CE3 4.34Å; P171-W186 HydrophobicContact CG-CH2 4.01Å; P171-W186 HydrophobicContact CG-CZ3 3.89Å; K182-W186 PolarHBondContact O-N 3.25Å; K182-W186 VanDerWaalsContact O-N 3.1Å; S183-W186 WeakPolarHBondContact O-CB 3.45Å; S183-W186 PolarHBondContact O-N 2.72Å; D184-W186 PolarHBondContact O-N 3.49Å; W186-L188 VanDerWaalsContact C-N 3.3Å; W186-L188 PolarHBondContact O-N 3.44Å; W186-G189 CarbonylContact O-C 3.56Å; W186-G189 VanDerWaalsContact O-CA 3.31Å; W186-G189 WeakPolarHBondContact O-CA 3.46Å; W186-G189 PolarHBondContact O-N 2.97Å; W186-C190 PolarHBondContact O-N 3.18Å; W186-F202 AromaticContact CH2-CE2 3.93Å; W186-F202 HydrophobicContact CH2-CE2 3.93Å; W186-F202 AromaticContact CH2-CZ 3.87Å; W186-F202 HydrophobicContact CH2-CZ 3.87Å; W186-F202 HydrophobicContact CZ2-CD2 4.22Å; W186-F202 AromaticContact CZ2-CE2 3.33Å; W186-F202 HydrophobicContact CZ2-CE2 3.33Å; W186-F202 AromaticContact CZ2-CZ 3.76Å; W186-F202 HydrophobicContact CZ2-CZ 3.76Å; W186-V214 HydrophobicContact CZ2-CG1 3.89Å; W186-F238 AromaticContact CD2-CD1 3.87Å; W186-F238 HydrophobicContact CD2-CD1 3.87Å; W186-F238 HydrophobicContact CD2-CE1 4.23Å; W186-F238 AromaticContact CE2-CD1 3.83Å; W186-F238 AromaticContact CE2-CE1 3.99Å; W186-F238 AromaticContact CE3-CD1 3.85Å; W186-F238 HydrophobicContact CE3-CD1 3.85Å; W186-F238 AromaticContact CH2-CD1 3.85Å; W186-F238 HydrophobicContact CH2-CD1 3.85Å; W186-F238 AromaticContact CZ2-CD1 3.83Å; W186-F238 HydrophobicContact CZ2-CD1 3.83Å; W186-F238 HydrophobicContact CZ2-CE1 4.23Å; W186-F238 HydrophobicContact CZ3-CB 4.21Å; W186-F238 AromaticContact CZ3-CD1 3.86Å; W186-F238 HydrophobicContact CZ3-CD1 3.86Å
187S97.3Very high95.8Very high5 Ų516.1 Ų16.14%0.0359%0.087CC..Hα-helixtrans-60.3-40.7179-55.70000111.8I128 Y168 S183 D184 I185 G189 C190 I191I128-S187 WeakPolarHBondContact O-CB 3.21Å; Y168-S187 PolarHBondContact O-OG 3.43Å; S183-S187 PolarHBondContact O-N 2.74Å; S183-S187 PolarHBondContact O-OG 3.26Å; S183-S187 VanDerWaalsContact O-OG 3.13Å; D184-S187 WeakPolarHBondContact O-CB 3.29Å; D184-S187 PolarHBondContact O-N 3.09Å; I185-S187 VanDerWaalsContact C-N 3.34Å; S187-G189 VanDerWaalsContact C-N 3.28Å; S187-G189 PolarHBondContact O-N 3.36Å; S187-C190 WeakPolarHBondContact O-CB 3.47Å; S187-C190 PolarHBondContact O-N 3.25Å; S187-I191 PolarHBondContact O-N 3.44Å
188L98Very high96.3Very high0 Ų013.8 Ų13.80%08%0.075CC..Hα-helixtrans-63.6-34.5172.5-173.664.1000112.1F108 M111 I128 D184 I185 W186 I191 L192 M237 L251F108-L188 HydrophobicContact CD2-CG 4.44Å; F108-L188 HydrophobicContact CE2-CD1 4.38Å; F108-L188 HydrophobicContact CE2-CD2 3.98Å; F108-L188 HydrophobicContact CE2-CG 3.82Å; F108-L188 HydrophobicContact CZ-CD2 4.42Å; M111-L188 HydrophobicContact CB-CD1 3.62Å; M111-L188 HydrophobicContact CE-CD1 4.23Å; M111-L188 HydrophobicContact CG-CD1 4.33Å; M111-L188 HydrophobicContact SD-CD1 3.89Å; I128-L188 HydrophobicContact CG2-CB 4.45Å; D184-L188 WeakPolarHBondContact O-CB 2.94Å; D184-L188 PolarHBondContact O-N 3.19Å; I185-L188 PolarHBondContact O-N 2.92Å; W186-L188 VanDerWaalsContact C-N 3.3Å; W186-L188 PolarHBondContact O-N 3.44Å; L188-I191 PolarHBondContact O-N 3.18Å; L188-L192 PolarHBondContact O-N 3.26Å; L188-M237 HydrophobicContact CB-CE 3.81Å; L188-M237 HydrophobicContact CD2-CE 4.03Å; L188-M237 HydrophobicContact CG-CE 3.83Å; L188-L251 HydrophobicContact CD2-CD1 4.49Å
189G98.1Very high96.7Very high0 Ų016.8 Ų16.80%08%0.08CC..Hα-helixtrans-65.3-37.6174.100000112.4I185 W186 S187 L192 Y193 M237 F238I185-G189 PolarHBondContact O-N 2.82Å; W186-G189 CarbonylContact O-C 3.56Å; W186-G189 VanDerWaalsContact O-CA 3.31Å; W186-G189 WeakPolarHBondContact O-CA 3.46Å; W186-G189 PolarHBondContact O-N 2.97Å; S187-G189 VanDerWaalsContact C-N 3.28Å; S187-G189 PolarHBondContact O-N 3.36Å; G189-L192 PolarHBondContact O-N 3.05Å; G189-Y193 WeakPolarHBondContact O-CB 2.94Å; G189-Y193 PolarHBondContact O-N 3.43Å; G189-M237 VanDerWaalsContact CA-CE 3.45Å; G189-F238 VanDerWaalsContact C-CZ 3.4Å; G189-F238 WeakPolarHBondContact O-CZ 3.1Å
190C98.1Very high97Very high0 Ų018 Ų180%09%0.086CC..Hα-helixtrans-58.8-46.5171.2-64.40000111.5Y167 Y168 W186 S187 Y193 E194 P201Y167-C190 PolarHBondContact O-SG 2.91Å; Y167-C190 VanDerWaalsContact O-SG 3.32Å; Y168-C190 HydrophobicContact CD1-CB 3.57Å; Y168-C190 HydrophobicContact CE1-CB 3.82Å; W186-C190 PolarHBondContact O-N 3.18Å; S187-C190 WeakPolarHBondContact O-CB 3.47Å; S187-C190 PolarHBondContact O-N 3.25Å; C190-Y193 WeakPolarHBondContact O-CB 3.48Å; C190-Y193 PolarHBondContact O-N 3.32Å; C190-E194 WeakPolarHBondContact O-CG 3.3Å; C190-E194 PolarHBondContact O-N 2.85Å; C190-P201 HydrophobicContact CB-CG 4.05Å
191I98.3Very high97.2Very high0 Ų016.6 Ų16.60%08%0.08CC..Hα-helixtrans-64.4-43.8178.6-57.9175.8000110.9L87 M111 I128 I133 Y168 S187 L188 Y193 E194 L195L87-I191 HydrophobicContact CD1-CG2 3.98Å; M111-I191 HydrophobicContact CE-CG2 3.92Å; M111-I191 HydrophobicContact SD-CD1 4.44Å; M111-I191 HydrophobicContact SD-CG2 3.87Å; I128-I191 HydrophobicContact CG2-CD1 3.55Å; I133-I191 HydrophobicContact CD1-CD1 4.28Å; I133-I191 HydrophobicContact CG1-CD1 3.7Å; Y168-I191 HydrophobicContact CD1-CG1 4.44Å; Y168-I191 HydrophobicContact CE1-CG1 3.84Å; S187-I191 PolarHBondContact O-N 3.44Å; L188-I191 PolarHBondContact O-N 3.18Å; I191-Y193 VanDerWaalsContact C-N 3.29Å; I191-Y193 PolarHBondContact O-N 2.95Å; I191-E194 PolarHBondContact O-N 3.13Å; I191-L195 HydrophobicContact CG2-CD1 4.34Å; I191-L195 HydrophobicContact CG2-CG 4.45Å; I191-L195 WeakPolarHBondContact O-CG 3.35Å; I191-L195 PolarHBondContact O-N 2.94Å
192L98.4Very high97.2Very high0 Ų014.1 Ų14.10%07%0.066CC..Hα-helixtrans-59.5-42.2176.6-177.557.5000111.4I104 F108 L188 G189 L195 C196 L230 V234 M237I104-L192 HydrophobicContact CG2-CD1 3.5Å; I104-L192 VanDerWaalsContact CG2-CD1 3.5Å; F108-L192 HydrophobicContact CB-CD1 4.08Å; F108-L192 HydrophobicContact CD1-CD2 4.42Å; F108-L192 HydrophobicContact CD2-CB 3.91Å; F108-L192 HydrophobicContact CD2-CD1 3.79Å; F108-L192 HydrophobicContact CD2-CD2 3.88Å; F108-L192 HydrophobicContact CD2-CG 4.07Å; F108-L192 HydrophobicContact CE1-CD2 4.21Å; F108-L192 HydrophobicContact CE2-CB 3.93Å; F108-L192 HydrophobicContact CE2-CD1 4.38Å; F108-L192 HydrophobicContact CE2-CD2 3.62Å; F108-L192 HydrophobicContact CE2-CG 4.18Å; F108-L192 HydrophobicContact CG-CD1 3.92Å; F108-L192 HydrophobicContact CG-CD2 4.27Å; F108-L192 HydrophobicContact CZ-CD2 3.8Å; L188-L192 PolarHBondContact O-N 3.26Å; G189-L192 PolarHBondContact O-N 3.05Å; L192-L195 PolarHBondContact O-N 2.95Å; L192-C196 PolarHBondContact O-N 3.26Å; L192-C196 VanDerWaalsContact O-N 3.13Å; L192-C196 PolarHBondContact O-SG 3.1Å; L192-L230 HydrophobicContact CD1-CD1 3.85Å; L192-L230 HydrophobicContact CD2-CD1 3.99Å; L192-L230 HydrophobicContact CG-CD1 4.14Å; L192-V234 HydrophobicContact CB-CG2 4.47Å; L192-V234 HydrophobicContact CD2-CG2 3.52Å; L192-V234 HydrophobicContact CG-CG2 3.69Å; L192-M237 HydrophobicContact CD2-SD 4.14Å
193Y98.5Very high96.8Very high13 Ų1316.9 Ų16.95%0.0518%0.08CC..Hα-helixtrans-62.5-43.9175-170.8-82.7000112.3G189 C190 I191 L195 C196 T197 K199 P201 I219 S220 L222 V234 F238G189-Y193 WeakPolarHBondContact O-CB 2.94Å; G189-Y193 PolarHBondContact O-N 3.43Å; C190-Y193 WeakPolarHBondContact O-CB 3.48Å; C190-Y193 PolarHBondContact O-N 3.32Å; I191-Y193 VanDerWaalsContact C-N 3.29Å; I191-Y193 PolarHBondContact O-N 2.95Å; Y193-L195 VanDerWaalsContact C-N 3.34Å; Y193-L195 PolarHBondContact O-N 3.21Å; Y193-C196 PolarHBondContact O-N 3Å; Y193-C196 VanDerWaalsContact O-N 3.16Å; Y193-T197 HydrophobicContact CD1-CG2 4.03Å; Y193-T197 VanDerWaalsContact CD1-OG1 3.29Å; Y193-T197 WeakPolarHBondContact CD1-OG1 3.36Å; Y193-T197 HydrophobicContact CE1-CG2 3.62Å; Y193-T197 WeakPolarHBondContact CE1-OG1 3.5Å; Y193-T197 HydrophobicContact CE2-CG2 4.2Å; Y193-T197 HydrophobicContact CG-CG2 4.47Å; Y193-T197 WeakPolarHBondContact O-CB 3.36Å; Y193-T197 WeakPolarHBondContact O-CG2 3.44Å; Y193-T197 PolarHBondContact O-N 3.5Å; Y193-T197 PolarHBondContact O-OG1 3.32Å; Y193-K199 WeakPolarHBondContact CD1-O 2.88Å; Y193-P201 HydrophobicContact CD1-CB 3.76Å; Y193-P201 HydrophobicContact CD1-CG 4.44Å; Y193-P201 HydrophobicContact CD2-CB 4.17Å; Y193-P201 VanDerWaalsContact CE1-CA 3.5Å; Y193-P201 HydrophobicContact CE1-CB 4.15Å; Y193-P201 HydrophobicContact CG-CB 3.78Å; Y193-I219 HydrophobicContact CD2-CD1 4.02Å; Y193-I219 HydrophobicContact CE2-CB 4.21Å; Y193-I219 HydrophobicContact CE2-CD1 3.97Å; Y193-S220 VanDerWaalsContact CE2-O 3.26Å; Y193-S220 WeakPolarHBondContact CE2-O 3.49Å; Y193-S220 WeakPolarHBondContact OH-CB 3.4Å; Y193-S220 PolarHBondContact OH-O 3.13Å; Y193-L222 HydrophobicContact CD2-CD2 3.62Å; Y193-L222 HydrophobicContact CE2-CD2 3.65Å; Y193-L222 HydrophobicContact CG-CD2 4.43Å; Y193-V234 HydrophobicContact CD2-CG1 4Å; Y193-F238 HydrophobicContact CD2-CE2 4.3Å
194E98.1Very high96.5Very high7 Ų718.1 Ų18.13%0.0339%0.09CC..Hα-helixtrans-62-40.3176.6-72.9174.59700112.1I91 S130 Y168 C190 I191 C196 T197 L198 K199 H200I91-E194 HydrophobicContact CD1-CB 3.81Å; S130-E194 PolarHBondContact OG-OE1 2.89Å; Y168-E194 WeakPolarHBondContact CE1-OE2 3.27Å; Y168-E194 PolarHBondContact OH-OE1 2.97Å; Y168-E194 PolarHBondContact OH-OE2 3.06Å; C190-E194 WeakPolarHBondContact O-CG 3.3Å; C190-E194 PolarHBondContact O-N 2.85Å; I191-E194 PolarHBondContact O-N 3.13Å; E194-C196 VanDerWaalsContact C-N 3.27Å; E194-C196 PolarHBondContact O-N 3.08Å; E194-T197 PolarHBondContact O-N 3.28Å; E194-L198 WeakPolarHBondContact O-CA 3.29Å; E194-L198 PolarHBondContact O-N 3.46Å; E194-K199 WeakPolarHBondContact CA-O 3.46Å; E194-K199 WeakPolarHBondContact CG-O 3.26Å; E194-H200 IonicContact OE1-CE1 2.87Å; E194-H200 PolarHBondContact OE1-CE1 2.57Å; E194-H200 IonicContact OE1-ND1 2.83Å; E194-H200 PolarHBondContact OE1-ND1 3.31Å; E194-H200 VanDerWaalsContact OE1-ND1 3.1Å
195L98.4Very high96Very high0 Ų026.6 Ų26.60%014%0.135CC..Hα-helixtrans-63.5-34.8175-69.9175000111.9L87 I91 F99 I104 W107 M111 I191 L192 Y193L87-L195 HydrophobicContact CD1-CD1 4.43Å; L87-L195 HydrophobicContact CD1-CD2 4.44Å; L87-L195 HydrophobicContact CD2-CD2 4.42Å; I91-L195 HydrophobicContact CD1-CD2 4.22Å; I91-L195 HydrophobicContact CG1-CD2 4.15Å; F99-L195 HydrophobicContact CD2-CD2 4.47Å; F99-L195 WeakPolarHBondContact CD2-O 2.87Å; F99-L195 HydrophobicContact CE2-CD2 4.28Å; I104-L195 HydrophobicContact CG1-CB 4.18Å; I104-L195 HydrophobicContact CG2-CB 3.95Å; I104-L195 HydrophobicContact CG2-CD1 4.29Å; W107-L195 HydrophobicContact CE3-CD1 4.32Å; W107-L195 HydrophobicContact CE3-CD2 3.9Å; W107-L195 HydrophobicContact CZ3-CD2 3.95Å; M111-L195 HydrophobicContact CE-CD1 3.99Å; I191-L195 HydrophobicContact CG2-CD1 4.34Å; I191-L195 HydrophobicContact CG2-CG 4.45Å; I191-L195 WeakPolarHBondContact O-CG 3.35Å; I191-L195 PolarHBondContact O-N 2.94Å; L192-L195 PolarHBondContact O-N 2.95Å; Y193-L195 VanDerWaalsContact C-N 3.34Å; Y193-L195 PolarHBondContact O-N 3.21Å
196C98.4Very high95.4Very high0 Ų028.8 Ų28.80%015%0.151CC..Hα-helixtrans-76.2-33.9178.5-62.10000113L192 Y193 E194 L222 Y226L192-C196 PolarHBondContact O-N 3.26Å; L192-C196 VanDerWaalsContact O-N 3.13Å; L192-C196 PolarHBondContact O-SG 3.1Å; Y193-C196 PolarHBondContact O-N 3Å; Y193-C196 VanDerWaalsContact O-N 3.16Å; E194-C196 VanDerWaalsContact C-N 3.27Å; E194-C196 PolarHBondContact O-N 3.08Å; C196-L222 HydrophobicContact CB-CD1 4.29Å; C196-L222 HydrophobicContact CB-CD2 3.86Å; C196-Y226 HydrophobicContact CB-CD2 4.35Å; C196-Y226 HydrophobicContact CB-CE2 3.85Å; C196-Y226 WeakPolarHBondContact O-CE2 3.47Å; C196-Y226 PolarHBondContact O-OH 3.19Å
197T97.9Very high94.7Very high17 Ų1735.2 Ų35.210%0.10418%0.175CC..Hα-helixtrans-121.3-11.7-164.566.90000114.9Y193 E194 K199 L222Y193-T197 HydrophobicContact CD1-CG2 4.03Å; Y193-T197 VanDerWaalsContact CD1-OG1 3.29Å; Y193-T197 WeakPolarHBondContact CD1-OG1 3.36Å; Y193-T197 HydrophobicContact CE1-CG2 3.62Å; Y193-T197 WeakPolarHBondContact CE1-OG1 3.5Å; Y193-T197 HydrophobicContact CE2-CG2 4.2Å; Y193-T197 HydrophobicContact CG-CG2 4.47Å; Y193-T197 WeakPolarHBondContact O-CB 3.36Å; Y193-T197 WeakPolarHBondContact O-CG2 3.44Å; Y193-T197 PolarHBondContact O-N 3.5Å; Y193-T197 PolarHBondContact O-OG1 3.32Å; E194-T197 PolarHBondContact O-N 3.28Å; T197-K199 PolarHBondContact O-N 3.37Å; T197-K199 PolarHBondContact OG1-N 3.41Å; T197-K199 PolarHBondContact OG1-O 3.13Å; T197-K199 VanDerWaalsContact OG1-O 3.09Å; T197-L222 HydrophobicContact CG2-CD2 3.87Å
198L97.5Very high94.1Very high35 Ų3542.4 Ų42.418%0.18321%0.206CC..SBendtrans5917.8-169.2-45.9176000113.9I91 Q94 L98 F99 E194I91-L198 HydrophobicContact CG2-CB 4.09Å; I91-L198 HydrophobicContact CG2-CD2 3.99Å; Q94-L198 HydrophobicContact CB-CD1 3.8Å; Q94-L198 HydrophobicContact CB-CD2 4.01Å; Q94-L198 HydrophobicContact CG-CD2 4Å; L98-L198 HydrophobicContact CD2-CD1 4.04Å; L98-L198 HydrophobicContact CD2-CG 3.93Å; F99-L198 HydrophobicContact CD2-CD2 3.81Å; F99-L198 HydrophobicContact CE2-CD2 3.7Å; E194-L198 WeakPolarHBondContact O-CA 3.29Å; E194-L198 PolarHBondContact O-N 3.46Å
199K95.3Very high93.8Very high132 Ų13246.2 Ų46.257%0.57423%0.226SC*.SBendtrans-134.7156-176.4-63.2176.6-174.1178.30110.6Y193 E194 T197Y193-K199 WeakPolarHBondContact CD1-O 2.88Å; E194-K199 WeakPolarHBondContact CA-O 3.46Å; E194-K199 WeakPolarHBondContact CG-O 3.26Å; T197-K199 PolarHBondContact O-N 3.37Å; T197-K199 PolarHBondContact OG1-N 3.41Å; T197-K199 PolarHBondContact OG1-O 3.13Å; T197-K199 VanDerWaalsContact OG1-O 3.09Å
200H95.3Very high93.4Very high40 Ų4046.6 Ų46.619%0.18523%0.228CC..  trans-69.6146.2170.2-62.1-53.2000110.9Y167 E194 F202 Q203Y167-H200 HydrophobicContact CD1-CB 4.22Å; Y167-H200 AromaticContact CD2-CD2 3.31Å; Y167-H200 WeakPolarHBondContact CD2-CD2 3.44Å; Y167-H200 AromaticContact CD2-CE1 3.93Å; Y167-H200 AromaticContact CD2-CG 3.91Å; Y167-H200 AromaticContact CD2-NE2 3.35Å; Y167-H200 VanDerWaalsContact CD2-NE2 3.35Å; Y167-H200 WeakPolarHBondContact CD2-NE2 3.39Å; Y167-H200 AromaticContact CE2-CD2 3.68Å; Y167-H200 AromaticContact CE2-NE2 3.8Å; Y167-H200 HydrophobicContact CG-CB 4.15Å; Y167-H200 AromaticContact CG-CD2 3.54Å; Y167-H200 AromaticContact CG-CG 3.7Å; Y167-H200 AromaticContact CG-NE2 3.96Å; E194-H200 IonicContact OE1-CE1 2.87Å; E194-H200 PolarHBondContact OE1-CE1 2.57Å; E194-H200 IonicContact OE1-ND1 2.83Å; E194-H200 PolarHBondContact OE1-ND1 3.31Å; E194-H200 VanDerWaalsContact OE1-ND1 3.1Å; H200-F202 VanDerWaalsContact C-N 3.28Å; H200-F202 PolarHBondContact O-N 3.44Å; H200-Q203 HydrophobicContact CB-CG 3.91Å
201P95.6Very high92.9Very high9 Ų948.9 Ų48.96%0.05824%0.24CC..SBendtrans-63.9-32.1179.925-35.2000113.5C190 Y193 I219 F238C190-P201 HydrophobicContact CB-CG 4.05Å; Y193-P201 HydrophobicContact CD1-CB 3.76Å; Y193-P201 HydrophobicContact CD1-CG 4.44Å; Y193-P201 HydrophobicContact CD2-CB 4.17Å; Y193-P201 VanDerWaalsContact CE1-CA 3.5Å; Y193-P201 HydrophobicContact CE1-CB 4.15Å; Y193-P201 HydrophobicContact CG-CB 3.78Å; P201-I219 HydrophobicContact CB-CG2 3.84Å; P201-F238 HydrophobicContact CB-CE1 4.3Å; P201-F238 HydrophobicContact CB-CE2 4.32Å; P201-F238 HydrophobicContact CB-CZ 3.78Å; P201-F238 HydrophobicContact CG-CE1 4.17Å; P201-F238 HydrophobicContact CG-CZ 3.81Å
202F94.2Very high92.5Very high4 Ų453 Ų532%0.01826%0.261CS..SBendtrans-126123.9178.8-53.5-80.6000109.4Y167 W186 H200 L210 K213 V214 I219 F238Y167-F202 VanDerWaalsContact CD1-O 3.3Å; Y167-F202 WeakPolarHBondContact CD1-O 3.35Å; W186-F202 AromaticContact CH2-CE2 3.93Å; W186-F202 HydrophobicContact CH2-CE2 3.93Å; W186-F202 AromaticContact CH2-CZ 3.87Å; W186-F202 HydrophobicContact CH2-CZ 3.87Å; W186-F202 HydrophobicContact CZ2-CD2 4.22Å; W186-F202 AromaticContact CZ2-CE2 3.33Å; W186-F202 HydrophobicContact CZ2-CE2 3.33Å; W186-F202 AromaticContact CZ2-CZ 3.76Å; W186-F202 HydrophobicContact CZ2-CZ 3.76Å; H200-F202 VanDerWaalsContact C-N 3.28Å; H200-F202 PolarHBondContact O-N 3.44Å; F202-L210 HydrophobicContact CB-CD1 3.78Å; F202-L210 WeakPolarHBondContact O-CD1 3.48Å; F202-K213 HydrophobicContact CD1-CB 4.14Å; F202-K213 WeakPolarHBondContact CE1-O 3.29Å; F202-V214 HydrophobicContact CB-CG2 3.83Å; F202-V214 HydrophobicContact CD1-CG2 4.34Å; F202-V214 HydrophobicContact CD2-CG2 3.85Å; F202-V214 HydrophobicContact CG-CG2 3.74Å; F202-I219 HydrophobicContact CD1-CG2 4.46Å; F202-I219 HydrophobicContact CE1-CG2 3.68Å; F202-I219 HydrophobicContact CE2-CG2 3.85Å; F202-I219 HydrophobicContact CZ-CG2 3.32Å; F202-F238 AromaticContact CE2-CD1 3.97Å; F202-F238 HydrophobicContact CE2-CD1 3.97Å; F202-F238 AromaticContact CE2-CE1 3.9Å; F202-F238 HydrophobicContact CE2-CE1 3.9Å; F202-F238 HydrophobicContact CZ-CD1 4.29Å
203Q88.6Confident92.2Very high93 Ų9357.6 Ų57.644%0.43528%0.281SS..  trans-138.2141.3177.1-64-176.7-51.300109.8H200 K213H200-Q203 HydrophobicContact CB-CG 3.91Å; Q203-K213 WeakPolarHBondContact O-CD 3.17Å; Q203-K213 PolarHBondContact O-NZ 3.01Å
204A88.5Confident91.9Very high26 Ų2657 Ų5722%0.21528%0.279CS..  trans-155.7159.7175.500000110.7S206 N209 L210A204-S206 PolarHBondContact O-N 2.84Å; A204-N209 HydrophobicContact CB-CB 3.66Å; A204-L210 HydrophobicContact CB-CB 4.09Å
205N85.9Confident91.5Very high177 Ų17757.6 Ų57.695%0.94728%0.284SS*.SBendtrans-79.9-2.8179.7-58.8-13000113.1
206S85.4Confident91.1Very high47 Ų4763.6 Ų63.633%0.32931%0.312SS..SBendtrans-146.4151.917675.40000111.1A204 K208 N209 L210A204-S206 PolarHBondContact O-N 2.84Å; S206-K208 VanDerWaalsContact C-N 3.34Å; S206-K208 PolarHBondContact O-N 3.38Å; S206-N209 PolarHBondContact O-N 3.11Å; S206-N209 WeakPolarHBondContact OG-CB 3.33Å; S206-N209 VanDerWaalsContact OG-CG 3.25Å; S206-N209 PolarHBondContact OG-N 3.09Å; S206-N209 PolarHBondContact OG-ND2 3.45Å; S206-L210 PolarHBondContact O-N 2.89Å
207W83Confident90.5Very high134 Ų13464.5 Ų64.551%0.50832%0.321SS..Hα-helixtrans-54.5-47.9175.4-81.299.9000113Y162 P166 W174 N209 L210 I211Y162-W207 HydrophobicContact CE2-CH2 4.13Å; Y162-W207 HydrophobicContact CE2-CZ3 4.33Å; Y162-W207 AromaticContact CZ-CH2 3.78Å; Y162-W207 WeakPolarHBondContact OH-CH2 3.26Å; P166-W207 HydrophobicContact CB-CE3 4.15Å; P166-W207 HydrophobicContact CB-CH2 3.26Å; P166-W207 HydrophobicContact CB-CZ2 4.34Å; P166-W207 HydrophobicContact CB-CZ3 3.14Å; P166-W207 HydrophobicContact CG-CE3 4.37Å; P166-W207 HydrophobicContact CG-CH2 3.18Å; P166-W207 HydrophobicContact CG-CZ2 3.83Å; P166-W207 HydrophobicContact CG-CZ3 3.53Å; W174-W207 HydrophobicContact CH2-CE3 4.42Å; W174-W207 AromaticContact CH2-CZ3 3.91Å; W174-W207 HydrophobicContact CH2-CZ3 3.91Å; W174-W207 HydrophobicContact CZ2-CZ3 4.49Å; W207-N209 VanDerWaalsContact C-N 3.3Å; W207-N209 PolarHBondContact O-N 3.47Å; W207-L210 WeakPolarHBondContact O-CB 3.5Å; W207-L210 PolarHBondContact O-N 3.14Å; W207-I211 VanDerWaalsContact O-CG1 3.29Å; W207-I211 WeakPolarHBondContact O-CG1 3.38Å; W207-I211 PolarHBondContact O-N 3.28Å
208K85.8Confident89.9Confident157 Ų15768.5 Ų68.568%0.68335%0.348SS*.Hα-helixtrans-56.1-45.9177.3-174.1177.3179.1179.70111.5S206 I211 L212S206-K208 VanDerWaalsContact C-N 3.34Å; S206-K208 PolarHBondContact O-N 3.38Å; K208-I211 PolarHBondContact O-N 3.09Å; K208-L212 HydrophobicContact CG-CD1 4.4Å; K208-L212 VanDerWaalsContact O-CG 3.28Å; K208-L212 WeakPolarHBondContact O-CG 3.31Å; K208-L212 PolarHBondContact O-N 2.93Å
209N89.8Confident89.7Confident80 Ų8068.9 Ų68.943%0.42835%0.35SS..Hα-helixtrans-71.5-33.1-179.7-70.8-14.2000112.5A204 S206 W207 K213A204-N209 HydrophobicContact CB-CB 3.66Å; S206-N209 PolarHBondContact O-N 3.11Å; S206-N209 WeakPolarHBondContact OG-CB 3.33Å; S206-N209 VanDerWaalsContact OG-CG 3.25Å; S206-N209 PolarHBondContact OG-N 3.09Å; S206-N209 PolarHBondContact OG-ND2 3.45Å; W207-N209 VanDerWaalsContact C-N 3.3Å; W207-N209 PolarHBondContact O-N 3.47Å; N209-K213 WeakPolarHBondContact O-CG 3.35Å; N209-K213 PolarHBondContact O-N 3.46Å
210L89.6Confident89.6Confident7 Ų766.3 Ų66.34%0.03735%0.349CS..Hα-helixtrans-63.1-49.1174.517961.9000110.5P166 Y167 F202 A204 S206 W207 L212 K213 V214P166-L210 HydrophobicContact CB-CD2 3.76Å; P166-L210 HydrophobicContact CG-CD2 3.67Å; Y167-L210 HydrophobicContact CD1-CD1 4.2Å; Y167-L210 HydrophobicContact CD1-CD2 4.08Å; Y167-L210 HydrophobicContact CE1-CD1 4.35Å; Y167-L210 HydrophobicContact CE1-CD2 4.04Å; F202-L210 HydrophobicContact CB-CD1 3.78Å; F202-L210 WeakPolarHBondContact O-CD1 3.48Å; A204-L210 HydrophobicContact CB-CB 4.09Å; S206-L210 PolarHBondContact O-N 2.89Å; W207-L210 WeakPolarHBondContact O-CB 3.5Å; W207-L210 PolarHBondContact O-N 3.14Å; L210-L212 VanDerWaalsContact C-N 3.33Å; L210-L212 PolarHBondContact O-N 3.32Å; L210-K213 PolarHBondContact O-N 2.88Å; L210-V214 HydrophobicContact CD1-CG2 4.4Å; L210-V214 WeakPolarHBondContact O-CG2 3.22Å; L210-V214 PolarHBondContact O-N 3.23Å
211I88.6Confident89.5Confident49 Ų4969.8 Ų69.825%0.25138%0.375SS..Hα-helixtrans-58.6-47178-65.2166.6000110.2W174 W207 K208 K213 V214 C215W174-I211 HydrophobicContact CB-CG2 3.85Å; W174-I211 HydrophobicContact CD2-CD1 4.2Å; W174-I211 HydrophobicContact CD2-CG1 3.73Å; W174-I211 HydrophobicContact CD2-CG2 4.19Å; W174-I211 HydrophobicContact CE3-CD1 3.67Å; W174-I211 HydrophobicContact CE3-CG1 3.74Å; W174-I211 HydrophobicContact CE3-CG2 4.49Å; W174-I211 HydrophobicContact CG-CG1 4.29Å; W174-I211 HydrophobicContact CG-CG2 3.91Å; W174-I211 HydrophobicContact CH2-CD1 4.37Å; W174-I211 HydrophobicContact CH2-CG1 4.28Å; W174-I211 HydrophobicContact CZ2-CG1 4.24Å; W174-I211 HydrophobicContact CZ3-CD1 3.77Å; W174-I211 HydrophobicContact CZ3-CG1 4.03Å; W207-I211 VanDerWaalsContact O-CG1 3.29Å; W207-I211 WeakPolarHBondContact O-CG1 3.38Å; W207-I211 PolarHBondContact O-N 3.28Å; K208-I211 PolarHBondContact O-N 3.09Å; I211-K213 VanDerWaalsContact C-N 3.34Å; I211-K213 PolarHBondContact O-N 3.32Å; I211-V214 PolarHBondContact O-N 3.5Å; I211-C215 WeakPolarHBondContact O-CB 3.5Å; I211-C215 PolarHBondContact O-N 3.22Å; I211-C215 PolarHBondContact O-SG 3.34Å; I211-C215 VanDerWaalsContact O-SG 3.39Å
212L90.3Very high89.6Confident86 Ų8670.1 Ų70.145%0.4538%0.376SS..Hα-helixtrans-57.2-45.2177.1-72.6172000112.1K208 L210 C215 Q216K208-L212 HydrophobicContact CG-CD1 4.4Å; K208-L212 VanDerWaalsContact O-CG 3.28Å; K208-L212 WeakPolarHBondContact O-CG 3.31Å; K208-L212 PolarHBondContact O-N 2.93Å; L210-L212 VanDerWaalsContact C-N 3.33Å; L210-L212 PolarHBondContact O-N 3.32Å; L212-C215 PolarHBondContact O-N 3.16Å; L212-Q216 WeakPolarHBondContact O-CB 3.36Å; L212-Q216 WeakPolarHBondContact O-CG 3.05Å; L212-Q216 PolarHBondContact O-N 2.84Å
213K92.1Very high89.7Confident96 Ų9671.8 Ų71.842%0.41739%0.387SS..Hα-helixtrans-63.9-42.5177.1-76.1-173.7177.2-1730112.6F202 Q203 N209 L210 I211 Q216 G217F202-K213 HydrophobicContact CD1-CB 4.14Å; F202-K213 WeakPolarHBondContact CE1-O 3.29Å; Q203-K213 WeakPolarHBondContact O-CD 3.17Å; Q203-K213 PolarHBondContact O-NZ 3.01Å; N209-K213 WeakPolarHBondContact O-CG 3.35Å; N209-K213 PolarHBondContact O-N 3.46Å; L210-K213 PolarHBondContact O-N 2.88Å; I211-K213 VanDerWaalsContact C-N 3.34Å; I211-K213 PolarHBondContact O-N 3.32Å; K213-Q216 PolarHBondContact O-N 3.1Å; K213-G217 PolarHBondContact O-N 2.88Å
214V92.3Very high90.1Very high2 Ų272.9 Ų72.91%0.01241%0.405CS..Hα-helixtrans-61.2-47.8176.9168.30000110.6P171 W186 F202 L210 I211 Q216 G217P171-V214 HydrophobicContact CB-CG1 4.28Å; W186-V214 HydrophobicContact CZ2-CG1 3.89Å; F202-V214 HydrophobicContact CB-CG2 3.83Å; F202-V214 HydrophobicContact CD1-CG2 4.34Å; F202-V214 HydrophobicContact CD2-CG2 3.85Å; F202-V214 HydrophobicContact CG-CG2 3.74Å; L210-V214 HydrophobicContact CD1-CG2 4.4Å; L210-V214 WeakPolarHBondContact O-CG2 3.22Å; L210-V214 PolarHBondContact O-N 3.23Å; I211-V214 PolarHBondContact O-N 3.5Å; V214-Q216 VanDerWaalsContact C-N 3.32Å; V214-Q216 PolarHBondContact O-N 3.29Å; V214-G217 PolarHBondContact O-N 3.16Å; V214-G217 VanDerWaalsContact O-N 3.07Å
215C89.4Confident90.4Very high19 Ų1977.2 Ų77.213%0.12842%0.421CS..Hα-helixtrans-66.8-31.4178.2-67.70000112.6I211 L212 G217 R240I211-C215 WeakPolarHBondContact O-CB 3.5Å; I211-C215 PolarHBondContact O-N 3.22Å; I211-C215 PolarHBondContact O-SG 3.34Å; I211-C215 VanDerWaalsContact O-SG 3.39Å; L212-C215 PolarHBondContact O-N 3.16Å; C215-G217 VanDerWaalsContact C-N 3.31Å; C215-R240 WeakPolarHBondContact O-CD 3.37Å; C215-R240 PolarHBondContact O-NE 3.03Å; C215-R240 PolarHBondContact O-NH1 3.24Å
216Q90.2Very high91Very high126 Ų12669 Ų6959%0.58938%0.377SS*.Hα-helixtrans-67.2-32.7171-74.2167.96.700112L212 K213 V214 C218L212-Q216 WeakPolarHBondContact O-CB 3.36Å; L212-Q216 WeakPolarHBondContact O-CG 3.05Å; L212-Q216 PolarHBondContact O-N 2.84Å; K213-Q216 PolarHBondContact O-N 3.1Å; V214-Q216 VanDerWaalsContact C-N 3.32Å; V214-Q216 PolarHBondContact O-N 3.29Å; Q216-C218 VanDerWaalsContact C-N 3.25Å; Q216-C218 PolarHBondContact O-N 3.31Å
217G85Confident91.5Very high19 Ų1968.6 Ų68.620%0.19637%0.374CS..THydrogen-bonded Turntrans73.513.2176.200000114.4K213 V214 C215 I219K213-G217 PolarHBondContact O-N 2.88Å; V214-G217 PolarHBondContact O-N 3.16Å; V214-G217 VanDerWaalsContact O-N 3.07Å; C215-G217 VanDerWaalsContact C-N 3.31Å; G217-I219 PolarHBondContact O-N 2.99Å
218C85.9Confident92.1Very high100 Ų10070.3 Ų70.368%0.67638%0.381SS*.  trans-88103.3178.5-64.60000110.5Q216Q216-C218 VanDerWaalsContact C-N 3.25Å; Q216-C218 PolarHBondContact O-N 3.31Å
219I92.9Very high92.5Very high44 Ų4466.9 Ų66.923%0.22637%0.368CS..PPolyproline II helixtrans-90.1149.4170.557.3159.3000111.1Y193 P201 F202 G217 V234 F238Y193-I219 HydrophobicContact CD2-CD1 4.02Å; Y193-I219 HydrophobicContact CE2-CB 4.21Å; Y193-I219 HydrophobicContact CE2-CD1 3.97Å; P201-I219 HydrophobicContact CB-CG2 3.84Å; F202-I219 HydrophobicContact CD1-CG2 4.46Å; F202-I219 HydrophobicContact CE1-CG2 3.68Å; F202-I219 HydrophobicContact CE2-CG2 3.85Å; F202-I219 HydrophobicContact CZ-CG2 3.32Å; G217-I219 PolarHBondContact O-N 2.99Å; I219-V234 HydrophobicContact CD1-CG1 3.65Å; I219-F238 HydrophobicContact CD1-CD2 3.59Å; I219-F238 HydrophobicContact CD1-CE2 4Å; I219-F238 HydrophobicContact CD1-CG 4.48Å; I219-F238 HydrophobicContact CG1-CD2 4.36Å; I219-F238 HydrophobicContact CG2-CD1 4.45Å; I219-F238 HydrophobicContact CG2-CD2 4.01Å; I219-F238 HydrophobicContact CG2-CE2 4.21Å; I219-F238 HydrophobicContact CG2-CG 4.12Å
220S93.6Very high92.8Very high78 Ų7863.1 Ų63.155%0.54535%0.347SS..PPolyproline II helixtrans-65.7142.1168.8-61.10000110.1Y193Y193-S220 VanDerWaalsContact CE2-O 3.26Å; Y193-S220 WeakPolarHBondContact CE2-O 3.49Å; Y193-S220 WeakPolarHBondContact OH-CB 3.4Å; Y193-S220 PolarHBondContact OH-O 3.13Å
221P93.6Very high93.1Very high113 Ų11365.9 Ų65.973%0.73436%0.36SS*.PPolyproline II helixtrans-60.2150.5-179.726.3-34.4000111.2
222L96.8Very high93.4Very high16 Ų1667.1 Ų67.18%0.08436%0.364CS..PPolyproline II helixtrans-67.5158172.4-55.9-175.2000110.2Y193 C196 T197 S224 Y226 L230 Q231 V234Y193-L222 HydrophobicContact CD2-CD2 3.62Å; Y193-L222 HydrophobicContact CE2-CD2 3.65Å; Y193-L222 HydrophobicContact CG-CD2 4.43Å; C196-L222 HydrophobicContact CB-CD1 4.29Å; C196-L222 HydrophobicContact CB-CD2 3.86Å; T197-L222 HydrophobicContact CG2-CD2 3.87Å; L222-S224 PolarHBondContact O-N 3.19Å; L222-Y226 HydrophobicContact CB-CD2 4.33Å; L222-L230 HydrophobicContact CD1-CG 4.23Å; L222-Q231 HydrophobicContact CB-CG 4.12Å; L222-Q231 HydrophobicContact CD1-CB 4.48Å; L222-Q231 HydrophobicContact CD1-CG 4.01Å; L222-Q231 HydrophobicContact CG-CG 4.38Å; L222-V234 HydrophobicContact CD1-CB 4.25Å; L222-V234 HydrophobicContact CD1-CG2 3.88Å; L222-V234 HydrophobicContact CD2-CG1 4.4Å
223P96.8Very high93.5Very high38 Ų3863.5 Ų63.525%0.24735%0.345CS..PPolyproline II helixtrans-49.9135.6168.6-29.536.7000112.3L98 H225 Y226L98-P223 HydrophobicContact CD1-CB 4.13Å; L98-P223 HydrophobicContact CD1-CG 3.8Å; P223-H225 WeakPolarHBondContact CB-CE1 3.46Å; P223-H225 WeakPolarHBondContact CB-ND1 3.48Å; P223-H225 PolarHBondContact O-N 2.94Å; P223-H225 VanDerWaalsContact O-N 3.13Å; P223-Y226 HydrophobicContact CB-CD2 3.92Å; P223-Y226 HydrophobicContact CB-CE2 3.96Å; P223-Y226 HydrophobicContact CG-CD2 4.2Å; P223-Y226 HydrophobicContact CG-CE2 3.89Å; P223-Y226 WeakPolarHBondContact O-CD2 3.48Å; P223-Y226 PolarHBondContact O-N 3.29Å
224S95.9Very high93.7Very high116 Ų11659 Ų5981%0.81133%0.325SS*.THydrogen-bonded Turntrans-67.3-14.6-169.953.10000115.4L222 Y226L222-S224 PolarHBondContact O-N 3.19Å; S224-Y226 VanDerWaalsContact C-N 3.3Å
225H96.4Very high93.9Very high118 Ų11865.3 Ų65.355%0.54635%0.353SS..THydrogen-bonded Turntrans-75.7-18.4176.765.4-91.6000113.1L98 P223L98-H225 VanDerWaalsContact CD1-CE1 3.45Å; L98-H225 WeakPolarHBondContact CD1-CE1 3.44Å; P223-H225 WeakPolarHBondContact CB-CE1 3.46Å; P223-H225 WeakPolarHBondContact CB-ND1 3.48Å; P223-H225 PolarHBondContact O-N 2.94Å; P223-H225 VanDerWaalsContact O-N 3.13Å
226Y97.8Very high94.2Very high5 Ų566.1 Ų66.12%0.0236%0.355CS..SBendtrans-74.3146173.4-67.8-59.9000111.2F99 E101 I104 C196 L222 P223 S224 L230 Q231F99-Y226 PolarHBondContact O-OH 3.45Å; F99-Y226 VanDerWaalsContact O-OH 3.12Å; E101-Y226 HydrophobicContact CB-CD1 4Å; E101-Y226 HydrophobicContact CB-CE1 4.29Å; E101-Y226 HydrophobicContact CG-CD1 4.33Å; E101-Y226 WeakPolarHBondContact OE2-CA 3.49Å; I104-Y226 HydrophobicContact CD1-CE1 3.65Å; C196-Y226 HydrophobicContact CB-CD2 4.35Å; C196-Y226 HydrophobicContact CB-CE2 3.85Å; C196-Y226 WeakPolarHBondContact O-CE2 3.47Å; C196-Y226 PolarHBondContact O-OH 3.19Å; L222-Y226 HydrophobicContact CB-CD2 4.33Å; P223-Y226 HydrophobicContact CB-CD2 3.92Å; P223-Y226 HydrophobicContact CB-CE2 3.96Å; P223-Y226 HydrophobicContact CG-CD2 4.2Å; P223-Y226 HydrophobicContact CG-CE2 3.89Å; P223-Y226 WeakPolarHBondContact O-CD2 3.48Å; P223-Y226 PolarHBondContact O-N 3.29Å; S224-Y226 VanDerWaalsContact C-N 3.3Å; Y226-L230 HydrophobicContact CD1-CD2 3.76Å; Y226-L230 HydrophobicContact CE1-CD2 4.43Å; Y226-L230 HydrophobicContact CG-CD2 3.96Å; Y226-Q231 PolarHBondContact O-NE2 2.65Å
227S96.7Very high94.5Very high37 Ų3760.1 Ų60.126%0.25933%0.327SS..  trans-58.7152.5-177.875.90000112.8E101 E229 L230 Q231E101-S227 WeakPolarHBondContact OE1-CB 3.24Å; E101-S227 PolarHBondContact OE1-OG 3.07Å; E101-S227 PolarHBondContact OE2-N 3.15Å; S227-E229 PolarHBondContact O-N 3.42Å; S227-E229 PolarHBondContact OG-N 3.45Å; S227-L230 PolarHBondContact O-N 3.23Å; S227-L230 PolarHBondContact OG-N 3.25Å; S227-L230 VanDerWaalsContact OG-N 3.14Å; S227-Q231 WeakPolarHBondContact O-CG 3.47Å; S227-Q231 PolarHBondContact O-N 3.1Å; S227-Q231 VanDerWaalsContact O-N 3.09Å
228Y95.1Very high95Very high170 Ų17059.7 Ų59.767%0.66732%0.319SS*.Hα-helixtrans-56.2-34.2171.2174.6-97000111.9Q231 F232Y228-Q231 PolarHBondContact O-N 3.02Å; Y228-F232 HydrophobicContact CE1-CB 4.35Å; Y228-F232 VanDerWaalsContact O-CB 3.23Å; Y228-F232 WeakPolarHBondContact O-CB 3.46Å; Y228-F232 PolarHBondContact O-N 3.1Å
229E93.7Very high95.5Very high86 Ų8658.4 Ų58.440%0.40230%0.302SS..Hα-helixtrans-65.1-45.9-179.3-63.5-179.4170.200111.4S227 F232 L233S227-E229 PolarHBondContact O-N 3.42Å; S227-E229 PolarHBondContact OG-N 3.45Å; E229-F232 PolarHBondContact O-N 3Å; E229-L233 WeakPolarHBondContact O-CG 3.31Å; E229-L233 PolarHBondContact O-N 2.91Å
230L95.8Very high95.6Very high0 Ų062.7 Ų62.70%032%0.316CS..Hα-helixtrans-63.6-45.8175.1174.753.8000111.7E101 L105 L192 L222 Y226 S227 F232 L233 V234E101-L230 HydrophobicContact CG-CD2 3.87Å; L105-L230 HydrophobicContact CD2-CD1 4.16Å; L192-L230 HydrophobicContact CD1-CD1 3.85Å; L192-L230 HydrophobicContact CD2-CD1 3.99Å; L192-L230 HydrophobicContact CG-CD1 4.14Å; L222-L230 HydrophobicContact CD1-CG 4.23Å; Y226-L230 HydrophobicContact CD1-CD2 3.76Å; Y226-L230 HydrophobicContact CE1-CD2 4.43Å; Y226-L230 HydrophobicContact CG-CD2 3.96Å; S227-L230 PolarHBondContact O-N 3.23Å; S227-L230 PolarHBondContact OG-N 3.25Å; S227-L230 VanDerWaalsContact OG-N 3.14Å; L230-F232 VanDerWaalsContact C-N 3.27Å; L230-F232 PolarHBondContact O-N 3.05Å; L230-L233 PolarHBondContact O-N 3.45Å; L230-V234 HydrophobicContact CD1-CG2 4.34Å; L230-V234 PolarHBondContact O-N 2.86Å; L230-V234 VanDerWaalsContact O-N 3.09Å
231Q95.8Very high95.6Very high65 Ų6562.7 Ų62.730%0.30431%0.31SS..Hα-helixtrans-57.8-41.9175.3-67.6-177.747.700111.8L222 Y226 S227 Y228 K235L222-Q231 HydrophobicContact CB-CG 4.12Å; L222-Q231 HydrophobicContact CD1-CB 4.48Å; L222-Q231 HydrophobicContact CD1-CG 4.01Å; L222-Q231 HydrophobicContact CG-CG 4.38Å; Y226-Q231 PolarHBondContact O-NE2 2.65Å; S227-Q231 WeakPolarHBondContact O-CG 3.47Å; S227-Q231 PolarHBondContact O-N 3.1Å; S227-Q231 VanDerWaalsContact O-N 3.09Å; Y228-Q231 PolarHBondContact O-N 3.02Å; Q231-K235 WeakPolarHBondContact O-CB 3.16Å; Q231-K235 PolarHBondContact O-N 3.38Å; Q231-K235 VanDerWaalsContact O-N 3.07Å
232F94.4Very high95.7Very high75 Ų7558.4 Ų58.433%0.32928%0.282SS..Hα-helixtrans-66.9-42.1178-176.6-99.9000112Y228 E229 L230 V234 K235 Q236Y228-F232 HydrophobicContact CE1-CB 4.35Å; Y228-F232 VanDerWaalsContact O-CB 3.23Å; Y228-F232 WeakPolarHBondContact O-CB 3.46Å; Y228-F232 PolarHBondContact O-N 3.1Å; E229-F232 PolarHBondContact O-N 3Å; L230-F232 VanDerWaalsContact C-N 3.27Å; L230-F232 PolarHBondContact O-N 3.05Å; F232-V234 PolarHBondContact O-N 2.79Å; F232-K235 PolarHBondContact O-N 2.83Å; F232-Q236 HydrophobicContact CD1-CG 4.06Å; F232-Q236 HydrophobicContact CE1-CG 3.72Å; F232-Q236 HydrophobicContact CE2-CG 4.3Å; F232-Q236 VanDerWaalsContact CE2-NE2 3.28Å; F232-Q236 HydrophobicContact CG-CG 4.5Å; F232-Q236 HydrophobicContact CZ-CG 3.86Å; F232-Q236 VanDerWaalsContact O-CG 3.26Å; F232-Q236 WeakPolarHBondContact O-CG 3.41Å; F232-Q236 PolarHBondContact O-N 2.98Å
233L94.3Very high95.7Very high10 Ų1061.1 Ų61.15%0.05230%0.302CS..Hα-helixtrans-56-52.1175.3-75.6171.6000111.2E229 L230 K235 Q236 M237 L251 I256 V257E229-L233 WeakPolarHBondContact O-CG 3.31Å; E229-L233 PolarHBondContact O-N 2.91Å; L230-L233 PolarHBondContact O-N 3.45Å; L233-K235 VanDerWaalsContact C-N 3.34Å; L233-K235 PolarHBondContact O-N 3.48Å; L233-Q236 PolarHBondContact O-N 3.35Å; L233-Q236 VanDerWaalsContact O-N 3.13Å; L233-M237 WeakPolarHBondContact O-CG 3.27Å; L233-M237 PolarHBondContact O-N 3.2Å; L233-L251 HydrophobicContact CD2-CD2 3.95Å; L233-I256 HydrophobicContact CD1-CG2 4.32Å; L233-V257 HydrophobicContact CD1-CG2 3.87Å
234V96.2Very high95.7Very high1 Ų165 Ų651%0.00632%0.317CS..Hα-helixtrans-56.6-47.8178.2172.20000111L192 Y193 I219 L222 L230 F232 Q236 M237 F238L192-V234 HydrophobicContact CB-CG2 4.47Å; L192-V234 HydrophobicContact CD2-CG2 3.52Å; L192-V234 HydrophobicContact CG-CG2 3.69Å; Y193-V234 HydrophobicContact CD2-CG1 4Å; I219-V234 HydrophobicContact CD1-CG1 3.65Å; L222-V234 HydrophobicContact CD1-CB 4.25Å; L222-V234 HydrophobicContact CD1-CG2 3.88Å; L222-V234 HydrophobicContact CD2-CG1 4.4Å; L230-V234 HydrophobicContact CD1-CG2 4.34Å; L230-V234 PolarHBondContact O-N 2.86Å; L230-V234 VanDerWaalsContact O-N 3.09Å; F232-V234 PolarHBondContact O-N 2.79Å; V234-Q236 VanDerWaalsContact C-N 3.28Å; V234-Q236 PolarHBondContact O-N 3.37Å; V234-M237 PolarHBondContact O-N 3.04Å; V234-M237 VanDerWaalsContact O-N 3.16Å; V234-F238 HydrophobicContact CG1-CD2 3.82Å; V234-F238 HydrophobicContact CG1-CE2 3.7Å; V234-F238 VanDerWaalsContact O-CD2 3.26Å; V234-F238 WeakPolarHBondContact O-CD2 3.4Å; V234-F238 PolarHBondContact O-N 3.44Å
235K95.1Very high95.7Very high136 Ų13659.6 Ų59.659%0.59128%0.279SS*.Hα-helixtrans-60.9-33.2179.3-173.3174.7-178.1174.90113.5Q231 F232 L233Q231-K235 WeakPolarHBondContact O-CB 3.16Å; Q231-K235 PolarHBondContact O-N 3.38Å; Q231-K235 VanDerWaalsContact O-N 3.07Å; F232-K235 PolarHBondContact O-N 2.83Å; L233-K235 VanDerWaalsContact C-N 3.34Å; L233-K235 PolarHBondContact O-N 3.48Å
236Q95.5Very high95.7Very high36 Ų3654.4 Ų54.417%0.16826%0.255CS..Hα-helixtrans-74.1-30.9178.4-68-66.7-3000112.4F232 L233 V234 F238 K239 P246F232-Q236 HydrophobicContact CD1-CG 4.06Å; F232-Q236 HydrophobicContact CE1-CG 3.72Å; F232-Q236 HydrophobicContact CE2-CG 4.3Å; F232-Q236 VanDerWaalsContact CE2-NE2 3.28Å; F232-Q236 HydrophobicContact CG-CG 4.5Å; F232-Q236 HydrophobicContact CZ-CG 3.86Å; F232-Q236 VanDerWaalsContact O-CG 3.26Å; F232-Q236 WeakPolarHBondContact O-CG 3.41Å; F232-Q236 PolarHBondContact O-N 2.98Å; L233-Q236 PolarHBondContact O-N 3.35Å; L233-Q236 VanDerWaalsContact O-N 3.13Å; V234-Q236 VanDerWaalsContact C-N 3.28Å; V234-Q236 PolarHBondContact O-N 3.37Å; Q236-F238 VanDerWaalsContact C-N 3.35Å; Q236-K239 WeakPolarHBondContact O-CG 3.31Å; Q236-P246 HydrophobicContact CB-CG 4.47Å; Q236-P246 WeakPolarHBondContact O-CD 2.92Å
237M96.9Very high95.7Very high0 Ų055.5 Ų55.50%026%0.263CS..Hα-helixtrans-74.1-27.6178.6-62.7171.679.500112.1F108 I185 L188 G189 L192 L233 V234 K239 R245 P246 L251F108-M237 HydrophobicContact CE2-CE 3.84Å; F108-M237 HydrophobicContact CE2-SD 4.01Å; F108-M237 HydrophobicContact CZ-CE 3.89Å; F108-M237 HydrophobicContact CZ-SD 3.71Å; I185-M237 HydrophobicContact CG2-CB 4.37Å; I185-M237 HydrophobicContact CG2-CE 3.99Å; I185-M237 HydrophobicContact CG2-CG 4.07Å; I185-M237 WeakPolarHBondContact O-CE 3.37Å; L188-M237 HydrophobicContact CB-CE 3.81Å; L188-M237 HydrophobicContact CD2-CE 4.03Å; L188-M237 HydrophobicContact CG-CE 3.83Å; G189-M237 VanDerWaalsContact CA-CE 3.45Å; L192-M237 HydrophobicContact CD2-SD 4.14Å; L233-M237 WeakPolarHBondContact O-CG 3.27Å; L233-M237 PolarHBondContact O-N 3.2Å; V234-M237 PolarHBondContact O-N 3.04Å; V234-M237 VanDerWaalsContact O-N 3.16Å; M237-K239 PolarHBondContact O-N 2.89Å; M237-R245 VanDerWaalsContact O-CD 3.29Å; M237-R245 WeakPolarHBondContact O-CD 3.48Å; M237-P246 HydrophobicContact CG-CG 4.42Å; M237-L251 HydrophobicContact CE-CD1 4.04Å; M237-L251 HydrophobicContact CG-CD2 4.4Å; M237-L251 HydrophobicContact SD-CD1 4.39Å; M237-L251 HydrophobicContact SD-CD2 4.38Å
238F96.9Very high95.6Very high9 Ų953.8 Ų53.84%0.03925%0.251CS..THydrogen-bonded Turntrans-91.923.3176.9-67.7-62.1000114.9W186 G189 Y193 P201 F202 I219 V234 Q236 R240W186-F238 AromaticContact CD2-CD1 3.87Å; W186-F238 HydrophobicContact CD2-CD1 3.87Å; W186-F238 HydrophobicContact CD2-CE1 4.23Å; W186-F238 AromaticContact CE2-CD1 3.83Å; W186-F238 AromaticContact CE2-CE1 3.99Å; W186-F238 AromaticContact CE3-CD1 3.85Å; W186-F238 HydrophobicContact CE3-CD1 3.85Å; W186-F238 AromaticContact CH2-CD1 3.85Å; W186-F238 HydrophobicContact CH2-CD1 3.85Å; W186-F238 AromaticContact CZ2-CD1 3.83Å; W186-F238 HydrophobicContact CZ2-CD1 3.83Å; W186-F238 HydrophobicContact CZ2-CE1 4.23Å; W186-F238 HydrophobicContact CZ3-CB 4.21Å; W186-F238 AromaticContact CZ3-CD1 3.86Å; W186-F238 HydrophobicContact CZ3-CD1 3.86Å; G189-F238 VanDerWaalsContact C-CZ 3.4Å; G189-F238 WeakPolarHBondContact O-CZ 3.1Å; Y193-F238 HydrophobicContact CD2-CE2 4.3Å; P201-F238 HydrophobicContact CB-CE1 4.3Å; P201-F238 HydrophobicContact CB-CE2 4.32Å; P201-F238 HydrophobicContact CB-CZ 3.78Å; P201-F238 HydrophobicContact CG-CE1 4.17Å; P201-F238 HydrophobicContact CG-CZ 3.81Å; F202-F238 AromaticContact CE2-CD1 3.97Å; F202-F238 HydrophobicContact CE2-CD1 3.97Å; F202-F238 AromaticContact CE2-CE1 3.9Å; F202-F238 HydrophobicContact CE2-CE1 3.9Å; F202-F238 HydrophobicContact CZ-CD1 4.29Å; I219-F238 HydrophobicContact CD1-CD2 3.59Å; I219-F238 HydrophobicContact CD1-CE2 4Å; I219-F238 HydrophobicContact CD1-CG 4.48Å; I219-F238 HydrophobicContact CG1-CD2 4.36Å; I219-F238 HydrophobicContact CG2-CD1 4.45Å; I219-F238 HydrophobicContact CG2-CD2 4.01Å; I219-F238 HydrophobicContact CG2-CE2 4.21Å; I219-F238 HydrophobicContact CG2-CG 4.12Å; V234-F238 HydrophobicContact CG1-CD2 3.82Å; V234-F238 HydrophobicContact CG1-CE2 3.7Å; V234-F238 VanDerWaalsContact O-CD2 3.26Å; V234-F238 WeakPolarHBondContact O-CD2 3.4Å; V234-F238 PolarHBondContact O-N 3.44Å; Q236-F238 VanDerWaalsContact C-N 3.35Å; F238-R240 PolarHBondContact O-N 3.04Å
239K96.1Very high95.5Very high74 Ų7447 Ų4732%0.32223%0.228SC..  trans-65.1128.8169-68.1-64.6-176.3178.10109.9Q236 M237 N241 H244 R245Q236-K239 WeakPolarHBondContact O-CG 3.31Å; M237-K239 PolarHBondContact O-N 2.89Å; K239-N241 PolarHBondContact O-N 3.39Å; K239-H244 HydrophobicContact CB-CB 3.89Å; K239-H244 HydrophobicContact CG-CB 4.11Å; K239-R245 HydrophobicContact CB-CG 4.08Å; K239-R245 PolarHBondContact O-NE 3.22Å; K239-R245 PolarHBondContact O-NH2 3.35Å
240R93.9Very high95.4Very high133 Ų13345.4 Ų45.450%0.50222%0.224SC..SBendtrans-56-54.4-179.6-175.2178.4178.4159.4-12.8111.4P171 E175 C215 F238 P242 R245P171-R240 HydrophobicContact CB-CG 4.41Å; P171-R240 HydrophobicContact CG-CG 4.29Å; E175-R240 IonicContact OE1-CZ 3.1Å; E175-R240 VanDerWaalsContact OE1-CZ 3.27Å; E175-R240 IonicContact OE1-NE 3.29Å; E175-R240 PolarHBondContact OE1-NE 3.12Å; E175-R240 IonicContact OE1-NH2 2.63Å; E175-R240 PolarHBondContact OE1-NH2 3.17Å; C215-R240 WeakPolarHBondContact O-CD 3.37Å; C215-R240 PolarHBondContact O-NE 3.03Å; C215-R240 PolarHBondContact O-NH1 3.24Å; F238-R240 PolarHBondContact O-N 3.04Å; R240-P242 WeakPolarHBondContact O-CD 3.36Å; R240-R245 PolarHBondContact O-NH2 3.21Å
241N94.3Very high95.3Very high79 Ų7945.4 Ų45.442%0.42222%0.224SC..SBendtrans-68.3119.5175.1-170.4-25.4000110.2K239 S243 H244K239-N241 PolarHBondContact O-N 3.39Å; N241-S243 PolarHBondContact O-N 3.47Å; N241-S243 PolarHBondContact OD1-N 3.03Å; N241-S243 PolarHBondContact OD1-OG 3.37Å; N241-H244 PolarHBondContact O-N 2.94Å; N241-H244 VanDerWaalsContact O-N 3.11Å
242P95.4Very high95.1Very high22 Ų2242.3 Ų42.314%0.14321%0.21CC..G310 helixtrans-58.1-31.8-179.2-23.333.4000113.6E172 K182 R240 H244 R245E172-P242 HydrophobicContact CB-CG 4.09Å; E172-P242 HydrophobicContact CG-CG 4.06Å; K182-P242 HydrophobicContact CB-CB 3.85Å; K182-P242 WeakPolarHBondContact CB-O 3.35Å; K182-P242 VanDerWaalsContact CG-O 3.28Å; K182-P242 WeakPolarHBondContact CG-O 3.16Å; R240-P242 WeakPolarHBondContact O-CD 3.36Å; P242-H244 PolarHBondContact O-N 3.43Å; P242-R245 WeakPolarHBondContact O-CB 3.2Å; P242-R245 PolarHBondContact O-N 3.07Å; P242-R245 VanDerWaalsContact O-N 3.09Å
243S96.1Very high94.7Very high73 Ų7340 Ų4051%0.5120%0.202SC..G310 helixtrans-62.7-29.6179.770.30000112.6K182 N241 R245K182-S243 PolarHBondContact NZ-O 3.33Å; N241-S243 PolarHBondContact O-N 3.47Å; N241-S243 PolarHBondContact OD1-N 3.03Å; N241-S243 PolarHBondContact OD1-OG 3.37Å; S243-R245 VanDerWaalsContact C-N 3.34Å
244H96.6Very high94.1Very high120 Ų12043.4 Ų43.456%0.55622%0.215SC*.G310 helixtrans-81.4-11.1179.1-61.9171.1000113.4K239 N241 P242K239-H244 HydrophobicContact CB-CB 3.89Å; K239-H244 HydrophobicContact CG-CB 4.11Å; N241-H244 PolarHBondContact O-N 2.94Å; N241-H244 VanDerWaalsContact O-N 3.11Å; P242-H244 PolarHBondContact O-N 3.43Å
245R97.4Very high93.4Very high3 Ų345.6 Ų45.61%0.01124%0.237CC..SBendtrans-75.2141.1173.7-58.5177.7-160.5147.68.3109.4E172 K182 I185 M237 K239 R240 P242 S243E172-R245 IonicContact OE1-CZ 3.06Å; E172-R245 IonicContact OE1-NH1 2.75Å; E172-R245 PolarHBondContact OE1-NH1 3.13Å; E172-R245 IonicContact OE1-NH2 2.7Å; E172-R245 IonicContact OE2-CZ 3.71Å; E172-R245 IonicContact OE2-NH1 3.27Å; E172-R245 PolarHBondContact OE2-NH1 3.24Å; E172-R245 IonicContact OE2-NH2 2.75Å; E172-R245 PolarHBondContact OE2-NH2 2.89Å; K182-R245 HydrophobicContact CB-CB 4.32Å; K182-R245 HydrophobicContact CD-CB 4.43Å; K182-R245 WeakPolarHBondContact CE-O 3.35Å; K182-R245 PolarHBondContact NZ-O 3.08Å; K182-R245 WeakPolarHBondContact O-CD 3.44Å; K182-R245 PolarHBondContact O-NH1 3.16Å; I185-R245 HydrophobicContact CG2-CB 4.39Å; M237-R245 VanDerWaalsContact O-CD 3.29Å; M237-R245 WeakPolarHBondContact O-CD 3.48Å; K239-R245 HydrophobicContact CB-CG 4.08Å; K239-R245 PolarHBondContact O-NE 3.22Å; K239-R245 PolarHBondContact O-NH2 3.35Å; R240-R245 PolarHBondContact O-NH2 3.21Å; P242-R245 WeakPolarHBondContact O-CB 3.2Å; P242-R245 PolarHBondContact O-N 3.07Å; P242-R245 VanDerWaalsContact O-N 3.09Å; S243-R245 VanDerWaalsContact C-N 3.34Å
246P96.8Very high92.9Very high8 Ų840.6 Ų40.65%0.05222%0.217CC..PPolyproline II helixtrans-62.7153.8173.729-34.8000110.6I185 Q236 M237 T250 L251I185-P246 WeakPolarHBondContact CG1-O 3.35Å; I185-P246 WeakPolarHBondContact CG2-O 3.25Å; Q236-P246 HydrophobicContact CB-CG 4.47Å; Q236-P246 WeakPolarHBondContact O-CD 2.92Å; M237-P246 HydrophobicContact CG-CG 4.42Å; P246-T250 HydrophobicContact CB-CG2 3.76Å; P246-L251 HydrophobicContact CB-CD2 4.11Å; P246-L251 HydrophobicContact CB-CG 4.07Å; P246-L251 HydrophobicContact CG-CD1 4.4Å; P246-L251 HydrophobicContact CG-CD2 3.57Å; P246-L251 HydrophobicContact CG-CG 3.86Å
247S96.9Very high92.4Very high28 Ų2838.9 Ų38.920%0.19621%0.209CC..PPolyproline II helixtrans-77.7167.6164.664.80000110.7T249 T250 L251S247-T249 VanDerWaalsContact C-N 3.28Å; S247-T249 PolarHBondContact O-N 3.44Å; S247-T250 PolarHBondContact O-N 3.37Å; S247-T250 VanDerWaalsContact O-N 3.1Å; S247-T250 PolarHBondContact OG-N 3.24Å; S247-T250 VanDerWaalsContact OG-N 3.07Å; S247-T250 PolarHBondContact OG-OG1 3.12Å; S247-L251 WeakPolarHBondContact O-CG 3.42Å; S247-L251 PolarHBondContact O-N 3.5Å
248A94.9Very high91.8Very high1 Ų140.1 Ų40.11%0.00822%0.219CC..Hα-helixtrans-57.3-43.2172.200000111.4V115 N116 I185 T250 L251 L252V115-A248 HydrophobicContact CG1-CB 4.09Å; N116-A248 HydrophobicContact CB-CB 3.85Å; I185-A248 HydrophobicContact CD1-CB 4.1Å; A248-T250 PolarHBondContact O-N 2.7Å; A248-L251 WeakPolarHBondContact O-CB 3Å; A248-L251 PolarHBondContact O-N 3.48Å; A248-L252 WeakPolarHBondContact O-CG 3.48Å; A248-L252 PolarHBondContact O-N 3.3Å
249T92Very high91.2Very high29 Ų2948.4 Ų48.418%0.17825%0.25CS..Hα-helixtrans-51.9-53169.2-49.10000112.2N116 S247 L251 L252 S253 E280N116-T249 PolarHBondContact OD1-N 3.25Å; N116-T249 PolarHBondContact OD1-OG1 3.14Å; S247-T249 VanDerWaalsContact C-N 3.28Å; S247-T249 PolarHBondContact O-N 3.44Å; T249-L251 VanDerWaalsContact C-N 3.26Å; T249-L251 PolarHBondContact O-N 3.07Å; T249-L252 PolarHBondContact O-N 3.16Å; T249-L252 VanDerWaalsContact O-N 3.13Å; T249-S253 PolarHBondContact O-N 3.21Å; T249-S253 PolarHBondContact O-OG 3.27Å; T249-S253 VanDerWaalsContact O-OG 3.1Å; T249-E280 WeakPolarHBondContact CG2-OE2 3.36Å
250T92.5Very high90.7Very high52 Ų5246.2 Ų46.232%0.31924%0.241SC..Hα-helixtrans-61.9-34.4-179.1-60.60000112.1P246 S247 A248 R254P246-T250 HydrophobicContact CB-CG2 3.76Å; S247-T250 PolarHBondContact O-N 3.37Å; S247-T250 VanDerWaalsContact O-N 3.1Å; S247-T250 PolarHBondContact OG-N 3.24Å; S247-T250 VanDerWaalsContact OG-N 3.07Å; S247-T250 PolarHBondContact OG-OG1 3.12Å; A248-T250 PolarHBondContact O-N 2.7Å; T250-R254 WeakPolarHBondContact O-CD 3.45Å; T250-R254 VanDerWaalsContact O-CG 3.22Å; T250-R254 WeakPolarHBondContact O-CG 3.28Å
251L93.6Very high90.1Very high0 Ų040.5 Ų40.50%022%0.221CC..Hα-helixtrans-65.9-45.4174.7-71.2169.7000111.3F108 I185 L188 L233 M237 P246 S247 A248 T249 S253 R254 V257F108-L251 HydrophobicContact CZ-CD1 4.2Å; I185-L251 HydrophobicContact CD1-CD1 4.22Å; I185-L251 HydrophobicContact CG2-CD1 4.26Å; L188-L251 HydrophobicContact CD2-CD1 4.49Å; L233-L251 HydrophobicContact CD2-CD2 3.95Å; M237-L251 HydrophobicContact CE-CD1 4.04Å; M237-L251 HydrophobicContact CG-CD2 4.4Å; M237-L251 HydrophobicContact SD-CD1 4.39Å; M237-L251 HydrophobicContact SD-CD2 4.38Å; P246-L251 HydrophobicContact CB-CD2 4.11Å; P246-L251 HydrophobicContact CB-CG 4.07Å; P246-L251 HydrophobicContact CG-CD1 4.4Å; P246-L251 HydrophobicContact CG-CD2 3.57Å; P246-L251 HydrophobicContact CG-CG 3.86Å; S247-L251 WeakPolarHBondContact O-CG 3.42Å; S247-L251 PolarHBondContact O-N 3.5Å; A248-L251 WeakPolarHBondContact O-CB 3Å; A248-L251 PolarHBondContact O-N 3.48Å; T249-L251 VanDerWaalsContact C-N 3.26Å; T249-L251 PolarHBondContact O-N 3.07Å; L251-S253 PolarHBondContact O-N 3.31Å; L251-R254 PolarHBondContact O-N 3.38Å; L251-V257 WeakPolarHBondContact O-CB 3.39Å
252L91.3Very high89Confident0 Ų042.9 Ų42.90%023%0.23CC..Hα-helixtrans-63.9-27.7178.3-69.2166.9000112.9T109 C112 L113 N116 A248 T249 R254 V257 A258 V261T109-L252 HydrophobicContact CG2-CD2 4.43Å; C112-L252 HydrophobicContact CB-CD2 3.61Å; C112-L252 HydrophobicContact CB-CG 3.91Å; L113-L252 HydrophobicContact CD2-CD1 4Å; L113-L252 HydrophobicContact CD2-CD2 3.8Å; L113-L252 HydrophobicContact CG-CD2 3.82Å; N116-L252 HydrophobicContact CB-CD1 3.77Å; A248-L252 WeakPolarHBondContact O-CG 3.48Å; A248-L252 PolarHBondContact O-N 3.3Å; T249-L252 PolarHBondContact O-N 3.16Å; T249-L252 VanDerWaalsContact O-N 3.13Å; L252-R254 VanDerWaalsContact C-N 3.34Å; L252-V257 HydrophobicContact CD2-CG1 4.22Å; L252-A258 WeakPolarHBondContact O-CA 3.4Å; L252-A258 VanDerWaalsContact O-CB 3.31Å; L252-A258 WeakPolarHBondContact O-CB 3.49Å; L252-A258 PolarHBondContact O-N 2.81Å; L252-V261 HydrophobicContact CD2-CG2 3.99Å
253S85.7Confident88.1Confident25 Ų2550 Ų5018%0.17526%0.259CS..THydrogen-bonded Turntrans-861.5179.5-540000114.8T249 L251 I281T249-S253 PolarHBondContact O-N 3.21Å; T249-S253 PolarHBondContact O-OG 3.27Å; T249-S253 VanDerWaalsContact O-OG 3.1Å; L251-S253 PolarHBondContact O-N 3.31Å; S253-I281 VanDerWaalsContact OG-CG1 3.31Å; S253-I281 WeakPolarHBondContact OG-CG1 3.36Å
254R83Confident87.1Confident83 Ų8347.4 Ų47.431%0.31324%0.24SC..SBendtrans-101.7132.8-173.7-81172.2-178.4-151.63.6113.4T250 L251 L252 I256 V257 A258T250-R254 WeakPolarHBondContact O-CD 3.45Å; T250-R254 VanDerWaalsContact O-CG 3.22Å; T250-R254 WeakPolarHBondContact O-CG 3.28Å; L251-R254 PolarHBondContact O-N 3.38Å; L252-R254 VanDerWaalsContact C-N 3.34Å; R254-I256 PolarHBondContact O-N 3.13Å; R254-V257 PolarHBondContact O-N 3.04Å; R254-A258 PolarHBondContact O-N 3.47Å
255G81.2Confident85.8Confident46 Ų4642.2 Ų42.247%0.47422%0.217SC..Hα-helixtrans39.8-117.7157.100000114.5
256I83Confident84.3Confident32 Ų3244 Ų4416%0.16423%0.229CC..Hα-helixtrans-67.4-32.6-176.8-161.2159.4000114.2L105 L233 R254 R259 L260L105-I256 HydrophobicContact CD1-CD1 3.32Å; L105-I256 HydrophobicContact CD1-CG1 3.75Å; L105-I256 HydrophobicContact CD1-CG2 4.05Å; L105-I256 HydrophobicContact CD2-CG2 4.06Å; L233-I256 HydrophobicContact CD1-CG2 4.32Å; R254-I256 PolarHBondContact O-N 3.13Å; I256-R259 PolarHBondContact O-N 3.34Å; I256-L260 WeakPolarHBondContact O-CG 3.46Å
257V85.6Confident82.7Confident0 Ų047.8 Ų47.80%025%0.253CS..Hα-helixtrans-68.6-44.9179.1-178.80000110.3F108 T109 L233 L251 L252 R254 R259 L260 V261F108-V257 HydrophobicContact CD1-CG2 4.18Å; F108-V257 HydrophobicContact CE1-CG2 4.16Å; T109-V257 HydrophobicContact CG2-CG1 4.11Å; L233-V257 HydrophobicContact CD1-CG2 3.87Å; L251-V257 WeakPolarHBondContact O-CB 3.39Å; L252-V257 HydrophobicContact CD2-CG1 4.22Å; R254-V257 PolarHBondContact O-N 3.04Å; V257-R259 PolarHBondContact O-N 2.95Å; V257-L260 PolarHBondContact O-N 2.75Å; V257-V261 PolarHBondContact O-N 2.63Å
258A84.3Confident80.9Confident26 Ų2652.8 Ų52.822%0.21527%0.273CS..Hα-helixtrans-57.5-35.717900000112.7L252 R254 L260 V261L252-A258 WeakPolarHBondContact O-CA 3.4Å; L252-A258 VanDerWaalsContact O-CB 3.31Å; L252-A258 WeakPolarHBondContact O-CB 3.49Å; L252-A258 PolarHBondContact O-N 2.81Å; R254-A258 PolarHBondContact O-N 3.47Å; A258-L260 VanDerWaalsContact C-N 3.25Å; A258-L260 PolarHBondContact O-N 3.42Å; A258-V261 PolarHBondContact O-N 3.34Å
259R84.6Confident79.5Confident183 Ų18354.6 Ų54.669%0.69128%0.282SS*.Hα-helixtrans-68.7-23.9177.1-65177.4-173.2160.83.2113.1I256 V257I256-R259 PolarHBondContact O-N 3.34Å; V257-R259 PolarHBondContact O-N 2.95Å
260L84.9Confident78Confident27 Ų2755.1 Ų55.114%0.14128%0.284CS..Hα-helixtrans-91.9-17.5-178.3-65.5176.2000113.1L105 T109 I256 V257 A258 Q262 K263 C264L105-L260 HydrophobicContact CB-CD1 3.59Å; T109-L260 HydrophobicContact CG2-CB 4.1Å; I256-L260 WeakPolarHBondContact O-CG 3.46Å; V257-L260 PolarHBondContact O-N 2.75Å; A258-L260 VanDerWaalsContact C-N 3.25Å; A258-L260 PolarHBondContact O-N 3.42Å; L260-Q262 VanDerWaalsContact C-N 3.33Å; L260-Q262 PolarHBondContact O-N 2.98Å; L260-K263 HydrophobicContact CD2-CD 4.18Å; L260-K263 WeakPolarHBondContact O-CB 3.38Å; L260-K263 PolarHBondContact O-N 2.81Å; L260-C264 PolarHBondContact O-N 3.16Å; L260-C264 VanDerWaalsContact O-N 3.13Å; L260-C264 PolarHBondContact O-SG 2.8Å
261V81.9Confident76.2Confident13 Ų1358.8 Ų58.88%0.07930%0.299CS..Hα-helixtrans-54-48.6-179.5173.70000111.7T109 L113 L252 V257 A258 K263 C264 L265T109-V261 HydrophobicContact CG2-CG2 4.12Å; L113-V261 HydrophobicContact CD2-CG1 4.35Å; L252-V261 HydrophobicContact CD2-CG2 3.99Å; V257-V261 PolarHBondContact O-N 2.63Å; A258-V261 PolarHBondContact O-N 3.34Å; V261-K263 PolarHBondContact O-N 3.38Å; V261-C264 PolarHBondContact O-N 2.85Å; V261-L265 HydrophobicContact CG1-CD1 4.1Å; V261-L265 PolarHBondContact O-N 3.04Å
262Q72.3Confident74.3Confident130 Ų13066 Ų6661%0.60733%0.333SS*.Hα-helixtrans-63.1-25.7179.8-70.1-178.4-10.500113.3L260L260-Q262 VanDerWaalsContact C-N 3.33Å; L260-Q262 PolarHBondContact O-N 2.98Å
263K76.3Confident72.6Confident171 Ų17167 Ų6774%0.74334%0.337SS*.Hα-helixtrans-82.7-22.5176.9-63.3-175.3178.2-177.60112.8L260 V261L260-K263 HydrophobicContact CD2-CD 4.18Å; L260-K263 WeakPolarHBondContact O-CB 3.38Å; L260-K263 PolarHBondContact O-N 2.81Å; V261-K263 PolarHBondContact O-N 3.38Å
264C74.1Confident71Confident18 Ų1866 Ų6612%0.12233%0.33CS..Hα-helixtrans-96-16.2-171.2-65.60000113.8T109 Q110 L113 L260 V261T109-C264 HydrophobicContact CG2-CB 4.34Å; Q110-C264 HydrophobicContact CG-CB 3.91Å; L113-C264 HydrophobicContact CD1-CB 3.95Å; L260-C264 PolarHBondContact O-N 3.16Å; L260-C264 VanDerWaalsContact O-N 3.13Å; L260-C264 PolarHBondContact O-SG 2.8Å; V261-C264 PolarHBondContact O-N 2.85Å
265L69.3Low69.6Low12 Ų1268.4 Ų68.46%0.06335%0.345CS..SBendtrans-111.3141.2-177.9-70.8177000111.4L113 V261 I269 I270L113-L265 HydrophobicContact CD1-CD1 4.24Å; L113-L265 HydrophobicContact CD1-CD2 3.76Å; L113-L265 HydrophobicContact CD1-CG 3.72Å; L113-L265 HydrophobicContact CD2-CD1 3.88Å; L113-L265 HydrophobicContact CD2-CD2 4.42Å; L113-L265 HydrophobicContact CD2-CG 4.29Å; V261-L265 HydrophobicContact CG1-CD1 4.1Å; V261-L265 PolarHBondContact O-N 3.04Å; L265-I269 HydrophobicContact CD2-CG2 3.92Å; L265-I270 HydrophobicContact CB-CD1 4.08Å; L265-I270 HydrophobicContact CB-CG1 3.45Å; L265-I270 VanDerWaalsContact CB-CG1 3.45Å; L265-I270 HydrophobicContact CD1-CG1 4.21Å; L265-I270 HydrophobicContact CG-CG1 4.5Å; L265-I270 WeakPolarHBondContact O-CD1 3.46Å
266P65.6Low68.3Low41 Ų4171.4 Ų71.427%0.26635%0.347SS..  trans-58.8146.2164.7-20.132000111E268 I269 I270P266-E268 WeakPolarHBondContact CB-OE2 3.29Å; P266-E268 PolarHBondContact O-N 3.03Å; P266-E268 VanDerWaalsContact O-N 3.12Å; P266-I269 HydrophobicContact CG-CD1 4.15Å; P266-I269 PolarHBondContact O-N 3.07Å; P266-I270 WeakPolarHBondContact O-CG1 3.43Å; P266-I270 PolarHBondContact O-N 3.12Å
267P62.9Low66.9Low87 Ų8770.1 Ų70.157%0.56534%0.34SS*.Hα-helixtrans-50.9-37.7180-27.335.2000113.9I269 I270 M271P267-I269 VanDerWaalsContact C-N 3.26Å; P267-I269 PolarHBondContact O-N 3.43Å; P267-I270 WeakPolarHBondContact O-CB 3.13Å; P267-I270 PolarHBondContact O-N 2.88Å; P267-M271 PolarHBondContact O-N 3.34Å
268E60.5Low65.5Low132 Ų13273 Ų7362%0.61736%0.356SS*.Hα-helixtrans-64.8-33.8-178.1-53.974.7-157.400111.5P266 M271 E272P266-E268 WeakPolarHBondContact CB-OE2 3.29Å; P266-E268 PolarHBondContact O-N 3.03Å; P266-E268 VanDerWaalsContact O-N 3.12Å; E268-M271 PolarHBondContact O-N 3.43Å; E268-E272 PolarHBondContact O-N 3.28Å
269I64.1Low64.2Low39 Ų3977.4 Ų77.420%0.237%0.371CS..Hα-helixtrans-88.8-25.8179.9-61177.5000110.2P60 L265 P266 P267 M271 E272 Y273P60-I269 HydrophobicContact CG-CD1 3.07Å; P60-I269 HydrophobicContact CG-CG1 4.39Å; P60-I269 HydrophobicContact CG-CG2 4.36Å; L265-I269 HydrophobicContact CD2-CG2 3.92Å; P266-I269 HydrophobicContact CG-CD1 4.15Å; P266-I269 PolarHBondContact O-N 3.07Å; P267-I269 VanDerWaalsContact C-N 3.26Å; P267-I269 PolarHBondContact O-N 3.43Å; I269-M271 PolarHBondContact O-N 2.84Å; I269-E272 PolarHBondContact O-N 3.48Å; I269-Y273 WeakPolarHBondContact O-CA 3.41Å; I269-Y273 WeakPolarHBondContact O-CB 3.37Å; I269-Y273 PolarHBondContact O-N 3.47Å
270I61.8Low62.9Low40 Ų4072.8 Ų72.821%0.20536%0.358CS..Hα-helixtrans-62.4-31.2166-64.2172.3000110.4L265 P266 P267 G274L265-I270 HydrophobicContact CB-CD1 4.08Å; L265-I270 HydrophobicContact CB-CG1 3.45Å; L265-I270 VanDerWaalsContact CB-CG1 3.45Å; L265-I270 HydrophobicContact CD1-CG1 4.21Å; L265-I270 HydrophobicContact CG-CG1 4.5Å; L265-I270 WeakPolarHBondContact O-CD1 3.46Å; P266-I270 WeakPolarHBondContact O-CG1 3.43Å; P266-I270 PolarHBondContact O-N 3.12Å; P267-I270 WeakPolarHBondContact O-CB 3.13Å; P267-I270 PolarHBondContact O-N 2.88Å; I270-G274 CarbonylContact O-C 3.47Å; I270-G274 WeakPolarHBondContact O-CA 3.34Å; I270-G274 PolarHBondContact O-N 3.39Å
271M53.4Low61.4Low130 Ų13072.3 Ų72.364%0.6436%0.355SS*.Hα-helixtrans-70.7-48.7175.1-68.2179.964.800111.8P267 E268 I269 E275P267-M271 PolarHBondContact O-N 3.34Å; E268-M271 PolarHBondContact O-N 3.43Å; I269-M271 PolarHBondContact O-N 2.84Å; M271-E275 WeakPolarHBondContact O-CG 3.49Å; M271-E275 PolarHBondContact O-N 3.44Å
272E55.1Low60.1Low152 Ų15278.2 Ų78.271%0.7138%0.38SS*.Hα-helixtrans-71.3-36.1-179.2-167-177.9-179.200113.4E268 I269E268-E272 PolarHBondContact O-N 3.28Å; I269-E272 PolarHBondContact O-N 3.48Å
273Y54.4Low59.1Low20 Ų2076.5 Ų76.58%0.07838%0.375CS..Hα-helixtrans-103.2-32.7-174.4-128.5-102.9000113.3H117 I269 V277H117-Y273 WeakPolarHBondContact CA-OH 3.27Å; H117-Y273 HydrophobicContact CB-CE2 4.5Å; H117-Y273 VanDerWaalsContact CB-OH 3.29Å; H117-Y273 WeakPolarHBondContact CB-OH 3.4Å; H117-Y273 PolarHBondContact N-OH 3.28Å; H117-Y273 VanDerWaalsContact N-OH 3.17Å; H117-Y273 AromaticContact ND1-CE2 3.54Å; H117-Y273 AromaticContact ND1-CZ 3.92Å; I269-Y273 WeakPolarHBondContact O-CA 3.41Å; I269-Y273 WeakPolarHBondContact O-CB 3.37Å; I269-Y273 PolarHBondContact O-N 3.47Å; Y273-V277 HydrophobicContact CD1-CG2 4.2Å; Y273-V277 WeakPolarHBondContact O-CB 3.15Å; Y273-V277 VanDerWaalsContact O-CG2 3.27Å; Y273-V277 WeakPolarHBondContact O-CG2 3.39Å; Y273-V277 PolarHBondContact O-N 3.22Å; Y273-V277 VanDerWaalsContact O-N 3.09Å
274G52.9Low57.9Low4 Ų471.8 Ų71.84%0.04136%0.363CS..Hα-helixtrans-79.5-25.6-178.100000112.6I270 L278I270-G274 CarbonylContact O-C 3.47Å; I270-G274 WeakPolarHBondContact O-CA 3.34Å; I270-G274 PolarHBondContact O-N 3.39Å; G274-L278 VanDerWaalsContact O-CA 3.3Å; G274-L278 WeakPolarHBondContact O-CA 3.12Å; G274-L278 WeakPolarHBondContact O-CB 3.23Å; G274-L278 VanDerWaalsContact O-CD1 3.27Å; G274-L278 WeakPolarHBondContact O-CD1 3.26Å; G274-L278 WeakPolarHBondContact O-CG 3.44Å; G274-L278 PolarHBondContact O-N 2.92Å
275E52.5Low56.7Low134 Ų13478.1 Ų78.163%0.62639%0.389SS*.Hα-helixtrans-60.6-51.9170.4-75.3-169168.100110.7M271 E279M271-E275 WeakPolarHBondContact O-CG 3.49Å; M271-E275 PolarHBondContact O-N 3.44Å; E275-E279 WeakPolarHBondContact O-CB 3.31Å; E275-E279 PolarHBondContact O-N 3.26Å
276E53.8Low55.5Low109 Ų10985.3 Ų85.351%0.50942%0.422SS..Hα-helixtrans-64.8-45.4178.4-64.8-175.6166.700113.5K120 E280K120-E276 IonicContact NZ-OE2 2.72Å; K120-E276 PolarHBondContact NZ-OE2 3.27Å; E276-E280 WeakPolarHBondContact O-CB 3.45Å; E276-E280 WeakPolarHBondContact O-CG 3.28Å; E276-E280 PolarHBondContact O-N 2.75Å
277V54.5Low54.2Low4 Ų490 Ų902%0.02445%0.445CS..Hα-helixtrans-73.8-38.8-178.4174.30000111.3Y273 E279 E280 I281Y273-V277 HydrophobicContact CD1-CG2 4.2Å; Y273-V277 WeakPolarHBondContact O-CB 3.15Å; Y273-V277 VanDerWaalsContact O-CG2 3.27Å; Y273-V277 WeakPolarHBondContact O-CG2 3.39Å; Y273-V277 PolarHBondContact O-N 3.22Å; Y273-V277 VanDerWaalsContact O-N 3.09Å; V277-E279 VanDerWaalsContact C-N 3.34Å; V277-E280 PolarHBondContact O-N 3.34Å; V277-I281 HydrophobicContact CG1-CD1 3.8Å; V277-I281 HydrophobicContact CG1-CG1 4.39Å; V277-I281 WeakPolarHBondContact O-CB 3.2Å; V277-I281 WeakPolarHBondContact O-CD1 3.34Å; V277-I281 WeakPolarHBondContact O-CG1 3.43Å; V277-I281 PolarHBondContact O-N 2.63Å
278L56Low52.7Low62 Ų6290.7 Ų90.733%0.32545%0.447SS..Hα-helixtrans-70.1-32.7175.6-62.6165.9000111G274 I281 K282G274-L278 VanDerWaalsContact O-CA 3.3Å; G274-L278 WeakPolarHBondContact O-CA 3.12Å; G274-L278 WeakPolarHBondContact O-CB 3.23Å; G274-L278 VanDerWaalsContact O-CD1 3.27Å; G274-L278 WeakPolarHBondContact O-CD1 3.26Å; G274-L278 WeakPolarHBondContact O-CG 3.44Å; G274-L278 PolarHBondContact O-N 2.92Å; L278-I281 HydrophobicContact CD2-CD1 4.3Å; L278-I281 PolarHBondContact O-N 3.29Å; L278-K282 WeakPolarHBondContact O-CB 3.4Å; L278-K282 WeakPolarHBondContact O-CG 3.22Å; L278-K282 PolarHBondContact O-N 3.33Å
279E57.4Low51.6Low117 Ų11790 Ų9055%0.54746%0.455SS..Hα-helixtrans-69.4-41.8174.5-165.2141.2-139.500111.3E275 V277 I281 K282 N283E275-E279 WeakPolarHBondContact O-CB 3.31Å; E275-E279 PolarHBondContact O-N 3.26Å; V277-E279 VanDerWaalsContact C-N 3.34Å; E279-I281 PolarHBondContact O-N 2.98Å; E279-K282 PolarHBondContact O-N 3.11Å; E279-N283 WeakPolarHBondContact O-CB 3.33Å; E279-N283 PolarHBondContact O-N 3.49Å; E279-N283 PolarHBondContact O-ND2 3.3Å
280E56.8Low50.3Low86 Ų8699.7 Ų99.740%0.40249%0.488SS..Hα-helixtrans-64.9-35.8169.2-75.6-179.2145.600112.8T249 E276 V277 N283 S284T249-E280 WeakPolarHBondContact CG2-OE2 3.36Å; E276-E280 WeakPolarHBondContact O-CB 3.45Å; E276-E280 WeakPolarHBondContact O-CG 3.28Å; E276-E280 PolarHBondContact O-N 2.75Å; V277-E280 PolarHBondContact O-N 3.34Å; E280-N283 PolarHBondContact O-N 3.06Å; E280-S284 VanDerWaalsContact O-CB 3.31Å; E280-S284 WeakPolarHBondContact O-CB 3.28Å; E280-S284 PolarHBondContact O-N 2.96Å
281I53.7Low49.2Very low18 Ų18107.4 Ų107.49%0.09252%0.52CS..Hα-helixtrans-65-43.2172.3-72.9164.1000110.9S253 V277 L278 E279 S284 K285S253-I281 VanDerWaalsContact OG-CG1 3.31Å; S253-I281 WeakPolarHBondContact OG-CG1 3.36Å; V277-I281 HydrophobicContact CG1-CD1 3.8Å; V277-I281 HydrophobicContact CG1-CG1 4.39Å; V277-I281 WeakPolarHBondContact O-CB 3.2Å; V277-I281 WeakPolarHBondContact O-CD1 3.34Å; V277-I281 WeakPolarHBondContact O-CG1 3.43Å; V277-I281 PolarHBondContact O-N 2.63Å; L278-I281 HydrophobicContact CD2-CD1 4.3Å; L278-I281 PolarHBondContact O-N 3.29Å; E279-I281 PolarHBondContact O-N 2.98Å; I281-S284 PolarHBondContact O-N 2.79Å; I281-K285 WeakPolarHBondContact O-CG 3.41Å; I281-K285 PolarHBondContact O-N 3.09Å; I281-K285 VanDerWaalsContact O-N 3.12Å
282K54Low48.5Very low137 Ų137110.9 Ų110.960%0.59653%0.532SS*.Hα-helixtrans-61.4-45.2175.9-78171-176.8176.80110.2L278 E279 K285 H286L278-K282 WeakPolarHBondContact O-CB 3.4Å; L278-K282 WeakPolarHBondContact O-CG 3.22Å; L278-K282 PolarHBondContact O-N 3.33Å; E279-K282 PolarHBondContact O-N 3.11Å; K282-K285 PolarHBondContact O-N 3.25Å; K282-H286 PolarHBondContact O-N 3.06Å; K282-H286 PolarHBondContact O-ND1 3.21Å
283N52.6Low47.8Very low94 Ų94110.2 Ų110.250%0.50354%0.538SS..Hα-helixtrans-67.2-38.5178.1-68.1-20.9000112.5E279 E280 K285 H286 N287E279-N283 WeakPolarHBondContact O-CB 3.33Å; E279-N283 PolarHBondContact O-N 3.49Å; E279-N283 PolarHBondContact O-ND2 3.3Å; E280-N283 PolarHBondContact O-N 3.06Å; N283-K285 VanDerWaalsContact C-N 3.33Å; N283-K285 PolarHBondContact O-N 3.5Å; N283-H286 PolarHBondContact O-N 3.39Å; N283-N287 PolarHBondContact O-N 3.43Å
284S51Low47Very low71 Ų71120.9 Ų120.950%0.49758%0.579SS.*Hα-helixtrans-67.9-29176.4-177.60000113.2E280 I281 H286E280-S284 VanDerWaalsContact O-CB 3.31Å; E280-S284 WeakPolarHBondContact O-CB 3.28Å; E280-S284 PolarHBondContact O-N 2.96Å; I281-S284 PolarHBondContact O-N 2.79Å; S284-H286 VanDerWaalsContact C-N 3.31Å
285K48.5Very low46.3Very low152 Ų152124 Ų12466%0.66161%0.61SS**Hα-helixtrans-72-24.9173.7-74.6178.7-179.9179.40112.6I281 K282 N283 T288I281-K285 WeakPolarHBondContact O-CG 3.41Å; I281-K285 PolarHBondContact O-N 3.09Å; I281-K285 VanDerWaalsContact O-N 3.12Å; K282-K285 PolarHBondContact O-N 3.25Å; N283-K285 VanDerWaalsContact C-N 3.33Å; N283-K285 PolarHBondContact O-N 3.5Å; K285-T288 PolarHBondContact O-OG1 3.2Å; K285-T288 VanDerWaalsContact O-OG1 3.06Å
286H43.3Very low45.9Very low162 Ų162129.5 Ų129.575%0.7563%0.625SS**Hα-helixtrans-80.9-22.4177.3-79.138.3000113.2K282 N283 S284K282-H286 PolarHBondContact O-N 3.06Å; K282-H286 PolarHBondContact O-ND1 3.21Å; N283-H286 PolarHBondContact O-N 3.39Å; S284-H286 VanDerWaalsContact C-N 3.31Å
287N37.8Very low45.6Very low141 Ų141130.9 Ų130.975%0.75464%0.642SS**SBendtrans-94.89.8-178.4-83.7-18.2000115.5N283 P289N283-N287 PolarHBondContact O-N 3.43Å; N287-P289 WeakPolarHBondContact O-CD 3.36Å
288T32.9Very low45.3Very low101 Ų101145.7 Ų145.762%0.6270%0.697SS**SBendtrans-72.8118.4169.37.90000110.1K285 R290K285-T288 PolarHBondContact O-OG1 3.2Å; K285-T288 VanDerWaalsContact O-OG1 3.06Å; T288-R290 PolarHBondContact O-N 3.08Å; T288-R290 VanDerWaalsContact O-N 3.1Å
289P35.9Very low44.8Very low118 Ų118149.9 Ų149.977%0.76672%0.716SS**PPolyproline II helixtrans-64.5119.117824-30.1000109N287 K291N287-P289 WeakPolarHBondContact O-CD 3.36Å; P289-K291 PolarHBondContact O-N 3.1Å; P289-K291 VanDerWaalsContact O-N 3.08Å
290R37.7Very low44.1Very low241 Ų241151.6 Ų151.691%0.90973%0.725SS**PPolyproline II helixtrans-51.2118.3170-82.1179.1170.4173-2.8107.8T288 K292T288-R290 PolarHBondContact O-N 3.08Å; T288-R290 VanDerWaalsContact O-N 3.1Å; R290-K292 PolarHBondContact O-N 2.93Å
291K39.7Very low43.4Very low202 Ų202155.3 Ų155.388%0.87874%0.743SS**  trans-49.6112.4169.8-84.8-179.7174.3177.50107.5P289 T293P289-K291 PolarHBondContact O-N 3.1Å; P289-K291 VanDerWaalsContact O-N 3.08Å; K291-T293 PolarHBondContact O-N 2.95Å
292K38.1Very low42.8Very low203 Ų203163.4 Ų163.488%0.88378%0.781SS**  trans-61.5101.6167-82.3-176.4175.5-179.90107R290 R294R290-K292 PolarHBondContact O-N 2.93Å; K292-R294 PolarHBondContact O-N 3.03Å
293T39.3Very low42.1Very low138 Ų138165 Ų16585%0.84779%0.792SS**  trans-56.5104.7159.630.20000107.3K291 G295K291-T293 PolarHBondContact O-N 2.95Å; T293-G295 PolarHBondContact O-N 3.05Å
294R39.6Very low41.4Very low245 Ų245169.7 Ų169.793%0.92581%0.812SS**  trans-66.5101.6166.3-81.2-177.3170.5179.9-3.4107.1K292K292-R294 PolarHBondContact O-N 3.03Å
295G36.8Very low40.7Very low68 Ų68176.8 Ų176.870%0.70183%0.834SS**PPolyproline II helixtrans-63.1129.1166.600000109.4T293 T297T293-G295 PolarHBondContact O-N 3.05Å; G295-T297 PolarHBondContact O-N 3.45Å
296R45.1Very low40.1Very low250 Ų250178.7 Ų178.794%0.94385%0.847SS**PPolyproline II helixtrans-63121166.2-78.5170.8163.1167-6.6108.6
297T46.2Very low39.8Very low139 Ų139180.1 Ų180.185%0.85386%0.856SS**PPolyproline II helixtrans-85.4126.91582.70000108G295G295-T297 PolarHBondContact O-N 3.45Å
298R48.7Very low40Very low315 Ų315183.6 Ų183.6100%1.18987%0.865SS**  trans-74.70157.9-84.2-178.1171.9180-2.9109

Retrieved 298 of 298 residues in 58.9 ms (Link to these results)

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