A0A087WY58_HUMAN Loading...

Serine/threonine-protein kinase Nek3

AlphaFold DB , UniProt , Accession A0A087WY58, Species HUMAN (Homo sapiens, Human), Gene NEK3, Length 497 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
1M66.4Low88.9Confident74 Ų7481.5 Ų81.537%0.36542%0.418SS..  011.70-96.8-179.6-179.600112.7D3 Y4 Y76M1-D3 PolarHBondContact O-N 3.21Å; M1-Y4 PolarHBondContact O-N 3.18Å; M1-Y76 HydrophobicContact CE-CD1 4.32Å; M1-Y76 HydrophobicContact CE-CE1 3.44Å; M1-Y76 VanDerWaalsContact CE-CE1 3.44Å; M1-Y76 HydrophobicContact CE-CE2 4.27Å; M1-Y76 VanDerWaalsContact CE-CZ 3.44Å; M1-Y76 WeakPolarHBondContact CE-OH 3.46Å
2D77.1Confident88.4Confident142 Ų14286.4 Ų86.476%0.75944%0.438SS*.THydrogen-bonded Turntrans-81.3-20.2-135.2-47.8-1.5000113.5Y4D2-Y4 VanDerWaalsContact C-N 3.3Å; D2-Y4 PolarHBondContact O-N 2.72Å
3D89.2Confident86.9Confident99 Ų9983.4 Ų83.453%0.52944%0.442SS..THydrogen-bonded Turntrans-82.60.7173.1-50.6-83.8000114.1M1 H23 E24M1-D3 PolarHBondContact O-N 3.21Å; D3-H23 CarbonylContact O-C 3.58Å; D3-H23 WeakPolarHBondContact O-CA 3.39Å; D3-H23 PolarHBondContact O-CD2 2.72Å; D3-E24 PolarHBondContact O-N 2.93Å
4Y94.4Very high85.1Confident10 Ų1083.6 Ų83.64%0.03945%0.453CS..EExtended strand (participates in β ladder)trans-134.8105.5-167.7-72.5-78.2000114.8M1 D2 V6 V21 Q22 H23 F30 M32 K66 E67 F69 V78M1-Y4 PolarHBondContact O-N 3.18Å; D2-Y4 VanDerWaalsContact C-N 3.3Å; D2-Y4 PolarHBondContact O-N 2.72Å; Y4-V6 PolarHBondContact O-N 2.87Å; Y4-V21 HydrophobicContact CD1-CB 4.18Å; Y4-V21 HydrophobicContact CD1-CG2 3.58Å; Y4-V21 HydrophobicContact CE1-CG2 4.1Å; Y4-V21 HydrophobicContact CG-CG2 4.44Å; Y4-Q22 WeakPolarHBondContact CA-O 3.24Å; Y4-H23 HydrophobicContact CD1-CB 4.22Å; Y4-H23 HydrophobicContact CE1-CB 3.91Å; Y4-H23 AromaticContact CE1-CD2 3.86Å; Y4-H23 AromaticContact CZ-CD2 3.76Å; Y4-F30 HydrophobicContact CE1-CD2 4.06Å; Y4-M32 HydrophobicContact CD1-CE 4.17Å; Y4-M32 HydrophobicContact CD2-CE 3.98Å; Y4-M32 HydrophobicContact CG-CE 3.74Å; Y4-K66 VanDerWaalsContact OH-CD 3.31Å; Y4-K66 WeakPolarHBondContact OH-CD 3.45Å; Y4-K66 VanDerWaalsContact OH-CE 3.23Å; Y4-K66 WeakPolarHBondContact OH-CE 3.16Å; Y4-K66 PolarHBondContact OH-NZ 3.11Å; Y4-E67 PolarHBondContact OH-OE1 3.32Å; Y4-F69 HydrophobicContact CD2-CE1 4.27Å; Y4-F69 HydrophobicContact CE2-CE1 4.18Å; Y4-V78 HydrophobicContact CE1-CG1 3.91Å; Y4-V78 HydrophobicContact CE1-CG2 4.5Å; Y4-V78 HydrophobicContact CE2-CG2 4.27Å
5M94.7Very high83.7Confident96 Ų9687.4 Ų87.447%0.47346%0.464SS..EExtended strand (participates in β ladder)trans-75.6120.5169.9-171.2177.3-64.900110.9L7 V21 Q22 E24M5-L7 HydrophobicContact CG-CD2 4.28Å; M5-L7 HydrophobicContact SD-CD2 4.26Å; M5-V21 CarbonylContact O-C 3.55Å; M5-V21 VanDerWaalsContact O-CA 3.27Å; M5-V21 WeakPolarHBondContact O-CA 3.42Å; M5-Q22 PolarHBondContact N-O 3.17Å; M5-Q22 PolarHBondContact O-N 2.85Å; M5-E24 HydrophobicContact CB-CG 4.44Å
6V95.3Very high83.4Confident67 Ų6783.6 Ų83.641%0.40645%0.453SS..EExtended strand (participates in β ladder)trans-79.2121.3175.2-1790000110Y4 L19 V21Y4-V6 PolarHBondContact O-N 2.87Å; V6-L19 HydrophobicContact CG1-CB 4.36Å; V6-L19 HydrophobicContact CG1-CD1 4.13Å; V6-L19 HydrophobicContact CG1-CD2 4.45Å; V6-L19 HydrophobicContact CG2-CD1 4.29Å; V6-V21 HydrophobicContact CG2-CG1 4.1Å
7L95.1Very high83.9Confident79 Ų7984.6 Ų84.641%0.41445%0.448SS..EExtended strand (participates in β ladder)trans-98.6-42.7-176.4-62.3178.5000113.4M5 L20 Q22 M29M5-L7 HydrophobicContact CG-CD2 4.28Å; M5-L7 HydrophobicContact SD-CD2 4.26Å; L7-L20 PolarHBondContact N-O 3.39Å; L7-Q22 HydrophobicContact CD1-CB 3.88Å; L7-Q22 HydrophobicContact CG-CB 4.27Å; L7-M29 HydrophobicContact CD1-CE 3.44Å; L7-M29 VanDerWaalsContact CD1-CE 3.44Å; L7-M29 HydrophobicContact CD1-SD 3.9Å
8R95.3Very high84.3Confident138 Ų13881.6 Ų81.652%0.52144%0.438SS..EExtended strand (participates in β ladder)trans-164.8159.317660.8-179.5-179.6-148.6-2.4112.1I10 L20R8-I10 HydrophobicContact CG-CG2 4.19Å; R8-L20 HydrophobicContact CG-CB 3.96Å; R8-L20 HydrophobicContact CG-CD2 4.13Å; R8-L20 PolarHBondContact N-O 3.04Å; R8-L20 PolarHBondContact O-N 3.38Å
9M94.6Very high84.9Confident93 Ų9377.9 Ų77.946%0.45842%0.418SS..EExtended strand (participates in β ladder)trans-71.5140161.8-159.6-175.4-52.600110E12 A18 L19M9-E12 HydrophobicContact SD-CB 4.14Å; M9-A18 WeakPolarHBondContact CG-O 3.3Å; M9-L19 HydrophobicContact CB-CD2 4.29Å; M9-L19 HydrophobicContact CG-CD2 4.17Å
10I91Very high85.4Confident72 Ų7274.3 Ų74.337%0.36940%0.398SS..EExtended strand (participates in β ladder)trans-119.2-10.4174.954.7173.2000113.1R8 A18 L20 A31 Y81R8-I10 HydrophobicContact CG-CG2 4.19Å; I10-A18 HydrophobicContact CG1-CB 4Å; I10-A18 VanDerWaalsContact CG1-O 3.32Å; I10-A18 WeakPolarHBondContact CG1-O 3.19Å; I10-A18 PolarHBondContact N-O 3.32Å; I10-L20 HydrophobicContact CD1-CB 4.42Å; I10-L20 HydrophobicContact CG2-CB 3.67Å; I10-A31 HydrophobicContact CD1-CB 4.19Å; I10-Y81 HydrophobicContact CD1-CD2 4.26Å; I10-Y81 HydrophobicContact CD1-CE2 4.06Å
11G85.1Confident86Confident26 Ų2670.7 Ų70.727%0.26838%0.379SS..EExtended strand (participates in β ladder)trans-172.8162.6170.400000112.8A18G11-A18 PolarHBondContact N-O 3.35Å; G11-A18 PolarHBondContact O-N 3.44Å
12E82.8Confident87.4Confident141 Ų14169.4 Ų69.466%0.65937%0.372SS*.EExtended strand (participates in β ladder)trans-138.4152174.8-172.1168.6-14900109M9M9-E12 HydrophobicContact SD-CB 4.14Å
13G68.9Low88.3Confident47 Ų4764 Ų6449%0.48534%0.342SS..EExtended strand (participates in β ladder)trans-166.4177178.300000112.4F15 G16G13-F15 PolarHBondContact O-N 3.21Å; G13-G16 PolarHBondContact N-O 2.89Å; G13-G16 PolarHBondContact O-N 3.37Å; G13-G16 VanDerWaalsContact O-O 3.12Å
14S61.2Low88.4Confident86 Ų8664.2 Ų64.260%0.60134%0.34SS*.THydrogen-bonded Turntrans-58.4-17.3-174.3510000115.7
15F63.8Low88.2Confident141 Ų14168.5 Ų68.562%0.61837%0.371SS*.THydrogen-bonded Turntrans-103.1-7.5-179.1-55.8-69.5000113.7G13 I35G13-F15 PolarHBondContact O-N 3.21Å; F15-I35 WeakPolarHBondContact O-CA 3.17Å
16G80.4Confident88.1Confident27 Ų2766.7 Ų66.728%0.27837%0.368SS..EExtended strand (participates in β ladder)trans138.3-155.4179.700000114G13 E34G13-G16 PolarHBondContact N-O 2.89Å; G13-G16 PolarHBondContact O-N 3.37Å; G13-G16 VanDerWaalsContact O-O 3.12Å; G16-E34 CarbonylContact C-O 3.53Å; G16-E34 WeakPolarHBondContact CA-O 3.39Å
17R90.3Very high87.9Confident100 Ų10068.8 Ų68.838%0.37738%0.377SS..EExtended strand (participates in β ladder)trans-109.9148.6-170.3-60.6-176.3-63.4-177.23.1111.6L19 E34R17-L19 HydrophobicContact CB-CD2 4.36Å; R17-E34 IonicContact CZ-OE2 3.06Å; R17-E34 PolarHBondContact N-O 2.84Å; R17-E34 VanDerWaalsContact N-O 3.08Å; R17-E34 IonicContact NE-OE2 2.72Å; R17-E34 PolarHBondContact NE-OE2 2.96Å; R17-E34 VanDerWaalsContact NH2-CD 3.3Å; R17-E34 IonicContact NH2-OE1 3.29Å; R17-E34 PolarHBondContact NH2-OE1 3.03Å; R17-E34 IonicContact NH2-OE2 3.12Å; R17-E34 PolarHBondContact NH2-OE2 2.96Å; R17-E34 PolarHBondContact O-N 3.28Å
18A91.9Very high87.9Confident31 Ų3170.3 Ų70.326%0.25638%0.382SS..EExtended strand (participates in β ladder)trans-110.3121.5167.200000108.7M9 I10 G11M9-A18 WeakPolarHBondContact CG-O 3.3Å; I10-A18 HydrophobicContact CG1-CB 4Å; I10-A18 VanDerWaalsContact CG1-O 3.32Å; I10-A18 WeakPolarHBondContact CG1-O 3.19Å; I10-A18 PolarHBondContact N-O 3.32Å; G11-A18 PolarHBondContact N-O 3.35Å; G11-A18 PolarHBondContact O-N 3.44Å
19L95.1Very high87.9Confident11 Ų1167.1 Ų67.16%0.05837%0.374CS..EExtended strand (participates in β ladder)trans-111.9143.4-176.7-54.1177.5000109.9V6 M9 R17 V21 A31 M32V6-L19 HydrophobicContact CG1-CB 4.36Å; V6-L19 HydrophobicContact CG1-CD1 4.13Å; V6-L19 HydrophobicContact CG1-CD2 4.45Å; V6-L19 HydrophobicContact CG2-CD1 4.29Å; M9-L19 HydrophobicContact CB-CD2 4.29Å; M9-L19 HydrophobicContact CG-CD2 4.17Å; R17-L19 HydrophobicContact CB-CD2 4.36Å; L19-V21 HydrophobicContact CB-CG1 4.13Å; L19-A31 CarbonylContact O-C 3.56Å; L19-A31 WeakPolarHBondContact O-CA 3.47Å; L19-M32 HydrophobicContact CB-CB 4.41Å; L19-M32 PolarHBondContact N-O 3.31Å; L19-M32 PolarHBondContact O-N 3.43Å
20L96.3Very high88Confident5 Ų563.4 Ų63.43%0.02636%0.355CS..EExtended strand (participates in β ladder)trans-90.7120.7162.7178.759.7000107.6L7 R8 I10 M29 Y81L7-L20 PolarHBondContact N-O 3.39Å; R8-L20 HydrophobicContact CG-CB 3.96Å; R8-L20 HydrophobicContact CG-CD2 4.13Å; R8-L20 PolarHBondContact N-O 3.04Å; R8-L20 PolarHBondContact O-N 3.38Å; I10-L20 HydrophobicContact CD1-CB 4.42Å; I10-L20 HydrophobicContact CG2-CB 3.67Å; L20-M29 HydrophobicContact CD1-CB 4.4Å; L20-M29 HydrophobicContact CD1-CE 3.75Å; L20-M29 HydrophobicContact CD2-CE 3.73Å; L20-M29 HydrophobicContact CG-CE 3.74Å; L20-Y81 HydrophobicContact CD1-CD1 3.63Å; L20-Y81 HydrophobicContact CD1-CD2 3.71Å; L20-Y81 HydrophobicContact CD1-CE1 3.77Å; L20-Y81 HydrophobicContact CD1-CE2 3.88Å; L20-Y81 HydrophobicContact CD1-CG 3.59Å; L20-Y81 HydrophobicContact CD2-CE1 4.18Å
21V96.8Very high88.2Confident0 Ų060.6 Ų60.60%034%0.343CS..EExtended strand (participates in β ladder)trans-121.9155.7-178.1-55.70000110.5Y4 M5 V6 L19 M29 F30 M32Y4-V21 HydrophobicContact CD1-CB 4.18Å; Y4-V21 HydrophobicContact CD1-CG2 3.58Å; Y4-V21 HydrophobicContact CE1-CG2 4.1Å; Y4-V21 HydrophobicContact CG-CG2 4.44Å; M5-V21 CarbonylContact O-C 3.55Å; M5-V21 VanDerWaalsContact O-CA 3.27Å; M5-V21 WeakPolarHBondContact O-CA 3.42Å; V6-V21 HydrophobicContact CG2-CG1 4.1Å; L19-V21 HydrophobicContact CB-CG1 4.13Å; V21-M29 WeakPolarHBondContact O-CA 3.48Å; V21-F30 HydrophobicContact CG2-CB 3.89Å; V21-F30 WeakPolarHBondContact CG2-O 3.37Å; V21-F30 PolarHBondContact N-O 3.39Å; V21-F30 PolarHBondContact O-N 3.21Å; V21-M32 HydrophobicContact CG1-CB 3.77Å; V21-M32 HydrophobicContact CG1-CE 4.14Å; V21-M32 HydrophobicContact CG1-SD 4.08Å; V21-M32 HydrophobicContact CG2-CB 4.05Å; V21-M32 HydrophobicContact CG2-CE 4.25Å
22Q96.4Very high88.7Confident46 Ų4659.4 Ų59.422%0.21533%0.331CS..EExtended strand (participates in β ladder)trans-116.4129.8170.8-170.2172.424.600109.1Y4 M5 L7 N27 Q28 M29Y4-Q22 WeakPolarHBondContact CA-O 3.24Å; M5-Q22 PolarHBondContact N-O 3.17Å; M5-Q22 PolarHBondContact O-N 2.85Å; L7-Q22 HydrophobicContact CD1-CB 3.88Å; L7-Q22 HydrophobicContact CG-CB 4.27Å; Q22-N27 WeakPolarHBondContact CG-O 3.34Å; Q22-N27 PolarHBondContact NE2-O 3.35Å; Q22-N27 PolarHBondContact NE2-OD1 2.95Å; Q22-Q28 WeakPolarHBondContact CA-O 3.24Å; Q22-M29 HydrophobicContact CB-SD 4.17Å; Q22-M29 HydrophobicContact CG-SD 4.12Å
23H95Very high89.2Confident28 Ų2854.4 Ų54.413%0.1331%0.307CS..EExtended strand (participates in β ladder)trans-80.1116.5177.4179.4-115000109.5D3 Y4 S25 S26 N27 Q28 F30 K66D3-H23 CarbonylContact O-C 3.58Å; D3-H23 WeakPolarHBondContact O-CA 3.39Å; D3-H23 PolarHBondContact O-CD2 2.72Å; Y4-H23 HydrophobicContact CD1-CB 4.22Å; Y4-H23 HydrophobicContact CE1-CB 3.91Å; Y4-H23 AromaticContact CE1-CD2 3.86Å; Y4-H23 AromaticContact CZ-CD2 3.76Å; H23-S25 PolarHBondContact CE1-OG 2.99Å; H23-S25 PolarHBondContact ND1-OG 2.79Å; H23-S25 PolarHBondContact O-N 3.24Å; H23-S26 PolarHBondContact ND1-OG 2.92Å; H23-S26 PolarHBondContact O-N 3.23Å; H23-N27 WeakPolarHBondContact O-CA 3.37Å; H23-N27 PolarHBondContact O-N 3.28Å; H23-Q28 PolarHBondContact N-O 2.99Å; H23-F30 HydrophobicContact CB-CD2 3.96Å; H23-F30 HydrophobicContact CB-CE2 3.7Å; H23-K66 PolarHBondContact CD2-NZ 2.77Å; H23-K66 PolarHBondContact NE2-NZ 3.39Å
24E91.3Very high90.3Very high104 Ų10452.6 Ų52.649%0.48629%0.286SS..THydrogen-bonded Turntrans-61.3-43.7-162.6-61.2-157.4160.900113D3 M5 S26D3-E24 PolarHBondContact O-N 2.93Å; M5-E24 HydrophobicContact CB-CG 4.44Å; E24-S26 VanDerWaalsContact C-N 3.33Å; E24-S26 PolarHBondContact O-N 2.85Å
25S91Very high91.6Very high100 Ų10049 Ų4970%0.69926%0.26SS*.THydrogen-bonded Turntrans-72.4-18.7-176.260.10000115H23H23-S25 PolarHBondContact CE1-OG 2.99Å; H23-S25 PolarHBondContact ND1-OG 2.79Å; H23-S25 PolarHBondContact O-N 3.24Å
26S92.6Very high92.6Very high59 Ų5951.3 Ų51.341%0.41326%0.264SS..THydrogen-bonded Turntrans-122.5-1.7-179.872.90000114.8H23 E24 Q28H23-S26 PolarHBondContact ND1-OG 2.92Å; H23-S26 PolarHBondContact O-N 3.23Å; E24-S26 VanDerWaalsContact C-N 3.33Å; E24-S26 PolarHBondContact O-N 2.85Å; S26-Q28 PolarHBondContact O-N 2.85Å; S26-Q28 WeakPolarHBondContact OG-CB 3.39Å
27N92.1Very high92.7Very high111 Ų11151.2 Ų51.259%0.59426%0.257SS*.THydrogen-bonded Turntrans53.712.9-171.9-72.9-84.3000115Q22 H23Q22-N27 WeakPolarHBondContact CG-O 3.34Å; Q22-N27 PolarHBondContact NE2-O 3.35Å; Q22-N27 PolarHBondContact NE2-OD1 2.95Å; H23-N27 WeakPolarHBondContact O-CA 3.37Å; H23-N27 PolarHBondContact O-N 3.28Å
28Q94.3Very high92Very high111 Ų11148.5 Ų48.552%0.51925%0.253SS..EExtended strand (participates in β ladder)trans-81.6139.6-175.1-175177.40.800111.9Q22 H23 S26 F30Q22-Q28 WeakPolarHBondContact CA-O 3.24Å; H23-Q28 PolarHBondContact N-O 2.99Å; S26-Q28 PolarHBondContact O-N 2.85Å; S26-Q28 WeakPolarHBondContact OG-CB 3.39Å; Q28-F30 HydrophobicContact CB-CE2 3.75Å; Q28-F30 HydrophobicContact CB-CZ 4.11Å; Q28-F30 HydrophobicContact CG-CD2 4.46Å; Q28-F30 HydrophobicContact CG-CE1 4.38Å; Q28-F30 HydrophobicContact CG-CE2 3.7Å; Q28-F30 HydrophobicContact CG-CZ 3.65Å; Q28-F30 WeakPolarHBondContact O-CD2 3.46Å
29M96.1Very high90.8Very high70 Ų7057.3 Ų57.335%0.34529%0.285SS..EExtended strand (participates in β ladder)trans-85.2133.9-178.1-53.2-67-70.600111.4L7 L20 V21 Q22 Y81L7-M29 HydrophobicContact CD1-CE 3.44Å; L7-M29 VanDerWaalsContact CD1-CE 3.44Å; L7-M29 HydrophobicContact CD1-SD 3.9Å; L20-M29 HydrophobicContact CD1-CB 4.4Å; L20-M29 HydrophobicContact CD1-CE 3.75Å; L20-M29 HydrophobicContact CD2-CE 3.73Å; L20-M29 HydrophobicContact CG-CE 3.74Å; V21-M29 WeakPolarHBondContact O-CA 3.48Å; Q22-M29 HydrophobicContact CB-SD 4.17Å; Q22-M29 HydrophobicContact CG-SD 4.12Å; M29-Y81 HydrophobicContact CB-CD1 4.27Å
30F96.4Very high89.2Confident15 Ų1559.7 Ų59.77%0.06630%0.303CS..EExtended strand (participates in β ladder)trans-135.6155.6176.7-63.4-82.3000111.8Y4 V21 H23 Q28 K66 V78Y4-F30 HydrophobicContact CE1-CD2 4.06Å; V21-F30 HydrophobicContact CG2-CB 3.89Å; V21-F30 WeakPolarHBondContact CG2-O 3.37Å; V21-F30 PolarHBondContact N-O 3.39Å; V21-F30 PolarHBondContact O-N 3.21Å; H23-F30 HydrophobicContact CB-CD2 3.96Å; H23-F30 HydrophobicContact CB-CE2 3.7Å; Q28-F30 HydrophobicContact CB-CE2 3.75Å; Q28-F30 HydrophobicContact CB-CZ 4.11Å; Q28-F30 HydrophobicContact CG-CD2 4.46Å; Q28-F30 HydrophobicContact CG-CE1 4.38Å; Q28-F30 HydrophobicContact CG-CE2 3.7Å; Q28-F30 HydrophobicContact CG-CZ 3.65Å; Q28-F30 WeakPolarHBondContact O-CD2 3.46Å; F30-K66 HydrophobicContact CD1-CD 4.24Å; F30-K66 HydrophobicContact CE1-CB 4.45Å; F30-K66 HydrophobicContact CE1-CD 3.74Å; F30-K66 HydrophobicContact CE2-CD 4.16Å; F30-K66 HydrophobicContact CZ-CD 3.69Å; F30-V78 HydrophobicContact CB-CG1 3.64Å; F30-V78 HydrophobicContact CD1-CG1 4.23Å; F30-V78 HydrophobicContact CG-CG1 3.92Å
31A95.5Very high87.3Confident14 Ų1468.2 Ų68.212%0.11634%0.34CS..EExtended strand (participates in β ladder)trans-88.8133163.700000108.7I10 L19 V78 M79 Y81I10-A31 HydrophobicContact CD1-CB 4.19Å; L19-A31 CarbonylContact O-C 3.56Å; L19-A31 WeakPolarHBondContact O-CA 3.47Å; A31-V78 WeakPolarHBondContact O-CA 3.46Å; A31-M79 HydrophobicContact CB-CG 3.86Å; A31-M79 PolarHBondContact N-O 2.67Å; A31-M79 PolarHBondContact O-N 2.89Å; A31-Y81 HydrophobicContact CB-CD2 4.47Å
32M95Very high85.3Confident1 Ų172.5 Ų72.51%0.00537%0.37CS..EExtended strand (participates in β ladder)trans-118.6114.3175-178.2-176.4-76.900108.7Y4 L19 V21 F69 Y76 I77 V78Y4-M32 HydrophobicContact CD1-CE 4.17Å; Y4-M32 HydrophobicContact CD2-CE 3.98Å; Y4-M32 HydrophobicContact CG-CE 3.74Å; L19-M32 HydrophobicContact CB-CB 4.41Å; L19-M32 PolarHBondContact N-O 3.31Å; L19-M32 PolarHBondContact O-N 3.43Å; V21-M32 HydrophobicContact CG1-CB 3.77Å; V21-M32 HydrophobicContact CG1-CE 4.14Å; V21-M32 HydrophobicContact CG1-SD 4.08Å; V21-M32 HydrophobicContact CG2-CB 4.05Å; V21-M32 HydrophobicContact CG2-CE 4.25Å; M32-F69 HydrophobicContact CE-CE1 4.15Å; M32-F69 HydrophobicContact CE-CZ 3.72Å; M32-F69 HydrophobicContact SD-CZ 4.44Å; M32-Y76 HydrophobicContact CG-CD1 3.93Å; M32-Y76 HydrophobicContact SD-CD1 3.55Å; M32-Y76 VanDerWaalsContact SD-CD1 3.55Å; M32-Y76 HydrophobicContact SD-CE1 4.3Å; M32-Y76 HydrophobicContact SD-CG 4.23Å; M32-I77 WeakPolarHBondContact CA-O 3.2Å; M32-V78 HydrophobicContact CE-CG2 3.78Å; M32-V78 HydrophobicContact CG-CG2 4.32Å
33K92.2Very high83.2Confident36 Ų3674.6 Ų74.616%0.15738%0.382CS..EExtended strand (participates in β ladder)trans-90114.7173.9-166.1-176.4-167.3-175.20108.4I35 E50 Y76 I77 M79 D145K33-I35 HydrophobicContact CD-CD1 4.21Å; K33-I35 HydrophobicContact CD-CG1 4.39Å; K33-I35 HydrophobicContact CG-CG1 4.2Å; K33-E50 IonicContact NZ-OE1 3.31Å; K33-E50 PolarHBondContact NZ-OE1 3.09Å; K33-E50 IonicContact NZ-OE2 3.05Å; K33-E50 PolarHBondContact NZ-OE2 2.88Å; K33-Y76 CarbonylContact O-C 3.51Å; K33-Y76 WeakPolarHBondContact O-CA 3.08Å; K33-I77 HydrophobicContact CB-CB 4.36Å; K33-I77 PolarHBondContact N-O 3.48Å; K33-I77 PolarHBondContact O-N 2.9Å; K33-M79 HydrophobicContact CB-CE 3.87Å; K33-D145 IonicContact NZ-OD1 3.67Å; K33-D145 PolarHBondContact NZ-OD1 3.26Å
34E91.8Very high81.4Confident9 Ų973.7 Ų73.74%0.04238%0.379CS..EExtended strand (participates in β ladder)trans-95.6120.7175.3175.7-173.8-113.700109G16 R17 H74 Y76G16-E34 CarbonylContact C-O 3.53Å; G16-E34 WeakPolarHBondContact CA-O 3.39Å; R17-E34 IonicContact CZ-OE2 3.06Å; R17-E34 PolarHBondContact N-O 2.84Å; R17-E34 VanDerWaalsContact N-O 3.08Å; R17-E34 IonicContact NE-OE2 2.72Å; R17-E34 PolarHBondContact NE-OE2 2.96Å; R17-E34 VanDerWaalsContact NH2-CD 3.3Å; R17-E34 IonicContact NH2-OE1 3.29Å; R17-E34 PolarHBondContact NH2-OE1 3.03Å; R17-E34 IonicContact NH2-OE2 3.12Å; R17-E34 PolarHBondContact NH2-OE2 2.96Å; R17-E34 PolarHBondContact O-N 3.28Å; E34-H74 HydrophobicContact CG-CB 4.06Å; E34-Y76 HydrophobicContact CB-CD1 3.88Å; E34-Y76 HydrophobicContact CB-CE1 3.62Å; E34-Y76 HydrophobicContact CG-CD1 4.07Å; E34-Y76 HydrophobicContact CG-CE1 3.38Å; E34-Y76 VanDerWaalsContact OE1-CE1 3.28Å; E34-Y76 WeakPolarHBondContact OE1-CE1 3.46Å; E34-Y76 PolarHBondContact OE1-OH 3.38Å
35I88.5Confident79.9Confident11 Ų1174.8 Ų74.86%0.05638%0.384CS..EExtended strand (participates in β ladder)trans-118.3121-179-56.8177000108.3F15 K33 L37 H74 L75 I77F15-I35 WeakPolarHBondContact O-CA 3.17Å; K33-I35 HydrophobicContact CD-CD1 4.21Å; K33-I35 HydrophobicContact CD-CG1 4.39Å; K33-I35 HydrophobicContact CG-CG1 4.2Å; I35-L37 PolarHBondContact O-N 2.87Å; I35-H74 CarbonylContact O-C 3.44Å; I35-H74 WeakPolarHBondContact O-CA 3.34Å; I35-L75 HydrophobicContact CB-CB 4.48Å; I35-L75 PolarHBondContact N-O 3.41Å; I35-L75 PolarHBondContact O-N 3.15Å; I35-I77 HydrophobicContact CD1-CD1 3.81Å
36R85.8Confident78.6Confident188 Ų18874.3 Ų74.371%0.70937%0.374SS*.EExtended strand (participates in β ladder)trans-68.5125.5177.8-170.2178.8-171.4-177.76.4110.5
37L83Confident77.4Confident26 Ų2672.9 Ų72.914%0.13636%0.364CS..PPolyproline II helixtrans-82.1138.8179.7-65.8166.9000110.8I35 T44 E70 G73 L75I35-L37 PolarHBondContact O-N 2.87Å; L37-T44 HydrophobicContact CB-CG2 4.45Å; L37-T44 HydrophobicContact CD2-CG2 3.79Å; L37-E70 HydrophobicContact CD1-CB 4.41Å; L37-E70 HydrophobicContact CD1-CG 4Å; L37-G73 WeakPolarHBondContact CB-O 3.31Å; L37-G73 PolarHBondContact N-O 3.15Å; L37-L75 HydrophobicContact CD1-CB 4.18Å; L37-L75 HydrophobicContact CD2-CB 3.86Å; L37-L75 HydrophobicContact CG-CB 4.09Å
38P74.3Confident76.9Confident43 Ų4371.8 Ų71.828%0.27935%0.351SS..PPolyproline II helixtrans-69.3141.717529.2-34.1000110.3S40 N43P38-S40 PolarHBondContact O-N 3.21Å; P38-S40 VanDerWaalsContact O-N 3.09Å; P38-N43 HydrophobicContact CB-CB 4.04Å; P38-N43 HydrophobicContact CG-CB 3.63Å
39K68.3Low76.3Confident215 Ų21571.4 Ų71.494%0.93535%0.348SS*.SBendtrans-64.4-11.1178.7-66.7-172.7177.7-176.10114.3
40S60.6Low75.7Confident61 Ų6168.6 Ų68.643%0.42733%0.334SS..SBendtrans-109.7138.4177.561.60000112.1P38 S42 T44P38-S40 PolarHBondContact O-N 3.21Å; P38-S40 VanDerWaalsContact O-N 3.09Å; S40-S42 PolarHBondContact O-N 3.16Å; S40-T44 PolarHBondContact O-OG1 2.73Å
41F56.4Low75.1Confident184 Ų18468.1 Ų68.181%0.80733%0.333SS*.Hα-helixtrans-62.4-22.8-174.9-77.6-90.6000114.9T44F41-T44 WeakPolarHBondContact CA-OG1 3.07Å; F41-T44 PolarHBondContact O-OG1 3.12Å
42S54.7Low74.7Confident90 Ų9071.3 Ų71.363%0.62935%0.351SS*.Hα-helixtrans-69-41.8-176.251.50000113S40S40-S42 PolarHBondContact O-N 3.16Å
43N52.3Low74.4Confident90 Ų9072.3 Ų72.348%0.48136%0.356SS..Hα-helixtrans-85.4-18.2-179.7-84.9-29.1000113.6P38 Q45 N46P38-N43 HydrophobicContact CB-CB 4.04Å; P38-N43 HydrophobicContact CG-CB 3.63Å; N43-Q45 PolarHBondContact O-N 3.12Å; N43-N46 PolarHBondContact O-N 3.41Å
44T56.6Low74.1Confident10 Ų1070.7 Ų70.76%0.06135%0.349CS..Hα-helixtrans-61-30.1-179.9-21.10000112.5L37 S40 F41 N46 S47 R48L37-T44 HydrophobicContact CB-CG2 4.45Å; L37-T44 HydrophobicContact CD2-CG2 3.79Å; S40-T44 PolarHBondContact O-OG1 2.73Å; F41-T44 WeakPolarHBondContact CA-OG1 3.07Å; F41-T44 PolarHBondContact O-OG1 3.12Å; T44-N46 PolarHBondContact O-N 3.01Å; T44-S47 PolarHBondContact O-N 3.35Å; T44-R48 PolarHBondContact O-N 3.2Å
45Q60.9Low74.1Confident126 Ų12672.1 Ų72.159%0.58936%0.362SS*.Hα-helixtrans-57.3-30.7172.1-79.4-77-2.600113.3N43 K49N43-Q45 PolarHBondContact O-N 3.12Å; Q45-K49 WeakPolarHBondContact O-CE 3.46Å; Q45-K49 WeakPolarHBondContact O-CG 3.45Å
46N63.3Low74.1Confident90 Ų9077.9 Ų77.948%0.48139%0.387SS..Hα-helixtrans-80.3-42.8-179.6-73.3-33.8000112N43 T44 R48 K49N43-N46 PolarHBondContact O-N 3.41Å; T44-N46 PolarHBondContact O-N 3.01Å; N46-R48 VanDerWaalsContact C-N 3.26Å; N46-R48 PolarHBondContact O-N 2.83Å; N46-K49 WeakPolarHBondContact O-CB 3.14Å; N46-K49 PolarHBondContact O-N 3.41Å; N46-K49 VanDerWaalsContact O-N 3.16Å; N46-K49 PolarHBondContact OD1-NZ 2.82Å
47S67.8Low74.4Confident29 Ų2969.2 Ų69.220%0.20336%0.355CS..Hα-helixtrans-58.3-37.4178-52.30000112.7T44 K49T44-S47 PolarHBondContact O-N 3.35Å; S47-K49 VanDerWaalsContact C-N 3.32Å; S47-K49 PolarHBondContact O-N 3.1Å
48R81.6Confident74.8Confident89 Ų8976.2 Ų76.234%0.33638%0.384SS..Hα-helixtrans-72.6-18.3-179.5-68.5170.3177145.91.5114.2T44 N46 E50 A51 V52 E70 L75T44-R48 PolarHBondContact O-N 3.2Å; N46-R48 VanDerWaalsContact C-N 3.26Å; N46-R48 PolarHBondContact O-N 2.83Å; R48-E50 VanDerWaalsContact C-N 3.31Å; R48-E50 PolarHBondContact O-N 2.54Å; R48-A51 PolarHBondContact O-N 2.97Å; R48-V52 WeakPolarHBondContact O-CG2 3.38Å; R48-V52 PolarHBondContact O-N 3.19Å; R48-E70 IonicContact CZ-OE1 3.55Å; R48-E70 VanDerWaalsContact CZ-OE1 3.28Å; R48-E70 IonicContact CZ-OE2 3.03Å; R48-E70 IonicContact NE-OE1 3.68Å; R48-E70 PolarHBondContact NE-OE1 3.04Å; R48-E70 IonicContact NE-OE2 2.69Å; R48-E70 VanDerWaalsContact NH2-CD 3.29Å; R48-E70 IonicContact NH2-OE1 2.69Å; R48-E70 PolarHBondContact NH2-OE1 3.25Å; R48-E70 IonicContact NH2-OE2 2.69Å; R48-E70 PolarHBondContact NH2-OE2 3.32Å; R48-L75 HydrophobicContact CG-CD2 4.34Å
49K80.9Confident75.6Confident103 Ų10375.2 Ų75.245%0.44838%0.375SS..Hα-helixtrans-65-32.1-177.3-75.9167-169.8170.90112.9Q45 N46 S47 V52 L53Q45-K49 WeakPolarHBondContact O-CE 3.46Å; Q45-K49 WeakPolarHBondContact O-CG 3.45Å; N46-K49 WeakPolarHBondContact O-CB 3.14Å; N46-K49 PolarHBondContact O-N 3.41Å; N46-K49 VanDerWaalsContact O-N 3.16Å; N46-K49 PolarHBondContact OD1-NZ 2.82Å; S47-K49 VanDerWaalsContact C-N 3.32Å; S47-K49 PolarHBondContact O-N 3.1Å; K49-V52 PolarHBondContact O-N 2.91Å; K49-L53 WeakPolarHBondContact O-CB 3.29Å; K49-L53 VanDerWaalsContact O-CG 3.31Å; K49-L53 WeakPolarHBondContact O-CG 3.39Å; K49-L53 PolarHBondContact O-N 3.47Å
50E82.9Confident76.7Confident10 Ų1066.5 Ų66.55%0.04734%0.341CS..Hα-helixtrans-60.4-52.3177.2-179.3167.5-171.900111.4K33 R48 V52 L53 L54 I77 F146 G147K33-E50 IonicContact NZ-OE1 3.31Å; K33-E50 PolarHBondContact NZ-OE1 3.09Å; K33-E50 IonicContact NZ-OE2 3.05Å; K33-E50 PolarHBondContact NZ-OE2 2.88Å; R48-E50 VanDerWaalsContact C-N 3.31Å; R48-E50 PolarHBondContact O-N 2.54Å; E50-V52 VanDerWaalsContact C-N 3.35Å; E50-V52 PolarHBondContact O-N 3.26Å; E50-L53 PolarHBondContact O-N 3.02Å; E50-L54 VanDerWaalsContact O-CB 3.29Å; E50-L54 WeakPolarHBondContact O-CB 3.47Å; E50-L54 PolarHBondContact O-N 3.31Å; E50-I77 HydrophobicContact CB-CD1 4.09Å; E50-I77 HydrophobicContact CG-CD1 3.92Å; E50-F146 HydrophobicContact CG-CB 4.02Å; E50-F146 PolarHBondContact OE1-N 3.46Å; E50-G147 PolarHBondContact OE1-N 2.78Å; E50-G147 VanDerWaalsContact OE2-CA 3.29Å; E50-G147 WeakPolarHBondContact OE2-CA 3.5Å; E50-G147 PolarHBondContact OE2-N 3.39Å
51A84.7Confident78.3Confident5 Ų563.8 Ų63.84%0.04132%0.322CS..Hα-helixtrans-59.7-44.717800000111.8R48 L53 L54 A55 F65 I77R48-A51 PolarHBondContact O-N 2.97Å; A51-L53 VanDerWaalsContact C-N 3.34Å; A51-L53 PolarHBondContact O-N 3.41Å; A51-L54 PolarHBondContact O-N 3.31Å; A51-A55 VanDerWaalsContact O-CB 3.22Å; A51-A55 WeakPolarHBondContact O-CB 3.22Å; A51-A55 PolarHBondContact O-N 3.06Å; A51-F65 HydrophobicContact CB-CE2 4.27Å; A51-I77 HydrophobicContact CB-CD1 3.95Å; A51-I77 HydrophobicContact CB-CG1 4.17Å
52V87.3Confident80.1Confident81 Ų8155.1 Ų55.149%0.49128%0.284SS..Hα-helixtrans-67.1-30.8-179.6173.90000113.1R48 K49 E50 K56R48-V52 WeakPolarHBondContact O-CG2 3.38Å; R48-V52 PolarHBondContact O-N 3.19Å; K49-V52 PolarHBondContact O-N 2.91Å; E50-V52 VanDerWaalsContact C-N 3.35Å; E50-V52 PolarHBondContact O-N 3.26Å; V52-K56 WeakPolarHBondContact O-CD 3.43Å; V52-K56 WeakPolarHBondContact O-CG 3.37Å
53L87.6Confident82Confident22 Ų2251 Ų5112%0.11526%0.255CS..Hα-helixtrans-77.7-49173.2-72.6174.7000111.1K49 E50 A51 A55 K56 M57 V123 A149K49-L53 WeakPolarHBondContact O-CB 3.29Å; K49-L53 VanDerWaalsContact O-CG 3.31Å; K49-L53 WeakPolarHBondContact O-CG 3.39Å; K49-L53 PolarHBondContact O-N 3.47Å; E50-L53 PolarHBondContact O-N 3.02Å; A51-L53 VanDerWaalsContact C-N 3.34Å; A51-L53 PolarHBondContact O-N 3.41Å; L53-A55 VanDerWaalsContact C-N 3.33Å; L53-A55 PolarHBondContact O-N 2.95Å; L53-K56 WeakPolarHBondContact O-CB 3.18Å; L53-K56 PolarHBondContact O-N 3.04Å; L53-M57 WeakPolarHBondContact O-CG 3.46Å; L53-M57 PolarHBondContact O-N 3.5Å; L53-V123 HydrophobicContact CD2-CG2 4.03Å; L53-A149 HydrophobicContact CD1-CB 3.97Å
54L87.8Confident84Confident2 Ų249 Ų491%0.0125%0.251CS..Hα-helixtrans-61.8-39.7-177.5-170.362.5000111.8E50 A51 K56 M57 I62 F65 I77 M79 F146E50-L54 VanDerWaalsContact O-CB 3.29Å; E50-L54 WeakPolarHBondContact O-CB 3.47Å; E50-L54 PolarHBondContact O-N 3.31Å; A51-L54 PolarHBondContact O-N 3.31Å; L54-K56 PolarHBondContact O-N 3.41Å; L54-K56 VanDerWaalsContact O-N 3.16Å; L54-M57 PolarHBondContact O-N 3.37Å; L54-I62 HydrophobicContact CD1-CG2 4.32Å; L54-F65 HydrophobicContact CB-CD2 4.39Å; L54-F65 HydrophobicContact CD2-CD2 4.3Å; L54-F65 HydrophobicContact CG-CB 4.16Å; L54-F65 HydrophobicContact CG-CD2 4.33Å; L54-I77 HydrophobicContact CD2-CG2 4.28Å; L54-M79 HydrophobicContact CD2-CE 4.11Å; L54-F146 HydrophobicContact CD1-CD2 3.6Å; L54-F146 HydrophobicContact CD1-CE2 3.78Å; L54-F146 HydrophobicContact CD1-CG 4.18Å; L54-F146 HydrophobicContact CD1-CZ 4.48Å
55A90.1Very high85.9Confident39 Ų3951.3 Ų51.332%0.32226%0.26SS..THydrogen-bonded Turntrans-62.7-18.7174.500000114.5A51 L53 F65A51-A55 VanDerWaalsContact O-CB 3.22Å; A51-A55 WeakPolarHBondContact O-CB 3.22Å; A51-A55 PolarHBondContact O-N 3.06Å; L53-A55 VanDerWaalsContact C-N 3.33Å; L53-A55 PolarHBondContact O-N 2.95Å; A55-F65 HydrophobicContact CB-CD1 3.68Å; A55-F65 HydrophobicContact CB-CD2 4.18Å; A55-F65 HydrophobicContact CB-CE1 3.7Å; A55-F65 HydrophobicContact CB-CE2 4.2Å; A55-F65 HydrophobicContact CB-CG 3.92Å; A55-F65 HydrophobicContact CB-CZ 3.96Å
56K89.9Confident87.5Confident133 Ų13348.8 Ų48.858%0.57825%0.247SC*.THydrogen-bonded Turntrans-95.2-6.8176.5-66.4176.1-176.6-177.20113.5V52 L53 L54 K121V52-K56 WeakPolarHBondContact O-CD 3.43Å; V52-K56 WeakPolarHBondContact O-CG 3.37Å; L53-K56 WeakPolarHBondContact O-CB 3.18Å; L53-K56 PolarHBondContact O-N 3.04Å; L54-K56 PolarHBondContact O-N 3.41Å; L54-K56 VanDerWaalsContact O-N 3.16Å; K56-K121 WeakPolarHBondContact O-CE 3.31Å; K56-K121 PolarHBondContact O-NZ 3.45Å
57M90.9Very high89Confident6 Ų647.6 Ų47.63%0.0324%0.239CC..  trans-95.7116.2175.8-62.7-62.4171.400109.1L53 L54 I62 I118 K121 V123 F146L53-M57 WeakPolarHBondContact O-CG 3.46Å; L53-M57 PolarHBondContact O-N 3.5Å; L54-M57 PolarHBondContact O-N 3.37Å; M57-I62 HydrophobicContact CB-CD1 4.02Å; M57-I62 HydrophobicContact CB-CG2 4.1Å; M57-I62 HydrophobicContact CG-CD1 4.4Å; M57-I62 HydrophobicContact SD-CD1 4.29Å; M57-I118 HydrophobicContact CE-CG1 4.39Å; M57-I118 HydrophobicContact CE-CG2 4.26Å; M57-I118 HydrophobicContact SD-CG1 4.12Å; M57-K121 HydrophobicContact CE-CB 4.2Å; M57-K121 HydrophobicContact CE-CD 4.04Å; M57-K121 HydrophobicContact SD-CD 3.47Å; M57-K121 WeakPolarHBondContact SD-CD 3.23Å; M57-V123 HydrophobicContact CE-CB 3.78Å; M57-V123 HydrophobicContact CE-CG1 4Å; M57-V123 HydrophobicContact CE-CG2 3.69Å; M57-F146 HydrophobicContact CE-CE1 4.22Å; M57-F146 HydrophobicContact CG-CE1 3.77Å; M57-F146 HydrophobicContact CG-CZ 4.08Å; M57-F146 HydrophobicContact SD-CE1 4.46Å
58K91.1Very high90.2Very high172 Ų17248.7 Ų48.775%0.74825%0.246SC*.  trans-133.394.5178.2-69-170.2179-174.80107.6H117K58-H117 PolarHBondContact N-NE2 2.53Å; K58-H117 PolarHBondContact O-CE1 3.1Å; K58-H117 PolarHBondContact O-NE2 3.01Å
59H91.4Very high90.7Very high22 Ų2246.9 Ų46.910%0.10224%0.241CC..  trans-151.4141-175.6-174.9-101.1000109.7N61 I62 L113 G114 H117H59-N61 PolarHBondContact ND1-N 2.87Å; H59-N61 VanDerWaalsContact ND1-N 3.14Å; H59-N61 PolarHBondContact O-N 3.39Å; H59-N61 VanDerWaalsContact O-N 3.13Å; H59-I62 HydrophobicContact CB-CB 4.29Å; H59-I62 HydrophobicContact CB-CD1 3.8Å; H59-I62 HydrophobicContact CB-CG1 3.95Å; H59-I62 PolarHBondContact O-N 3.23Å; H59-L113 VanDerWaalsContact CE1-C 3.45Å; H59-G114 PolarHBondContact CE1-N 3.32Å; H59-H117 HydrophobicContact CB-CB 4.31Å; H59-H117 AromaticContact CD2-CG 3.8Å; H59-H117 AromaticContact CD2-ND1 3.62Å; H59-H117 AromaticContact CG-CG 3.85Å; H59-H117 AromaticContact CG-ND1 3.99Å
60P91.1Very high91.2Very high32 Ų3246.3 Ų46.321%0.20824%0.24CC..THydrogen-bonded Turntrans-51.4-36.2178.322.9-39.8000114.1K142 I269P60-K142 WeakPolarHBondContact O-CD 3.48Å; P60-K142 WeakPolarHBondContact O-CE 3.41Å; P60-K142 PolarHBondContact O-NZ 3.09Å; P60-I269 HydrophobicContact CB-CD1 3.64Å; P60-I269 HydrophobicContact CB-CG1 4.35Å; P60-I269 HydrophobicContact CG-CD1 3.54Å; P60-I269 HydrophobicContact CG-CG1 3.81Å; P60-I269 HydrophobicContact CG-CG2 4.02Å
61N94.3Very high91.5Very high5 Ų547.2 Ų47.23%0.02725%0.249CC..THydrogen-bonded Turntrans-97.719.2-178.9-55.9112.1000114.7H59 Q110 V141 L143H59-N61 PolarHBondContact ND1-N 2.87Å; H59-N61 VanDerWaalsContact ND1-N 3.14Å; H59-N61 PolarHBondContact O-N 3.39Å; H59-N61 VanDerWaalsContact O-N 3.13Å; N61-Q110 VanDerWaalsContact CB-O 3.24Å; N61-Q110 WeakPolarHBondContact CB-O 3.5Å; N61-Q110 PolarHBondContact ND2-OE1 3.42Å; N61-V141 VanDerWaalsContact CA-O 3.28Å; N61-V141 WeakPolarHBondContact CA-O 3.06Å; N61-V141 WeakPolarHBondContact CB-O 3.45Å; N61-V141 PolarHBondContact ND2-O 2.8Å; N61-L143 WeakPolarHBondContact O-CG 3.47Å; N61-L143 PolarHBondContact O-N 2.88Å
62I95.1Very high91.7Very high2 Ų254.9 Ų54.91%0.0128%0.284CS..BIsolated β-bridgetrans-116.3144.5167.7-59.6174.6000107.8L54 M57 H59 A64 I118 K142 L143 F146L54-I62 HydrophobicContact CD1-CG2 4.32Å; M57-I62 HydrophobicContact CB-CD1 4.02Å; M57-I62 HydrophobicContact CB-CG2 4.1Å; M57-I62 HydrophobicContact CG-CD1 4.4Å; M57-I62 HydrophobicContact SD-CD1 4.29Å; H59-I62 HydrophobicContact CB-CB 4.29Å; H59-I62 HydrophobicContact CB-CD1 3.8Å; H59-I62 HydrophobicContact CB-CG1 3.95Å; H59-I62 PolarHBondContact O-N 3.23Å; I62-A64 PolarHBondContact O-N 3.36Å; I62-I118 HydrophobicContact CD1-CD1 4.1Å; I62-I118 HydrophobicContact CD1-CG1 3.7Å; I62-K142 WeakPolarHBondContact O-CD 3.28Å; I62-K142 PolarHBondContact O-NZ 2.87Å; I62-K142 VanDerWaalsContact O-NZ 3.07Å; I62-L143 WeakPolarHBondContact CA-O 3.39Å; I62-F146 HydrophobicContact CD1-CZ 4.48Å; I62-F146 HydrophobicContact CG2-CE2 3.78Å; I62-F146 HydrophobicContact CG2-CZ 3.8Å
63V95.3Very high91.7Very high4 Ų453.3 Ų53.32%0.02429%0.285CS..PPolyproline II helixtrans-59.9119.6172175.80000108.8F65 M79 E80 F134 K142 L143V63-F65 PolarHBondContact O-N 3.18Å; V63-M79 HydrophobicContact CG1-CB 3.87Å; V63-M79 HydrophobicContact CG1-CG 3.83Å; V63-M79 HydrophobicContact CG1-SD 3.99Å; V63-E80 HydrophobicContact CG1-CB 4.12Å; V63-F134 HydrophobicContact CG2-CD2 3.96Å; V63-K142 HydrophobicContact CG2-CB 3.86Å; V63-L143 WeakPolarHBondContact CG2-O 3.44Å; V63-L143 PolarHBondContact N-O 3.36Å
64A94.3Very high91.8Very high48 Ų4854.5 Ų54.540%0.39729%0.289SS..PPolyproline II helixtrans-71.9131.5-175.800000112.1I62 M79 E80I62-A64 PolarHBondContact O-N 3.36Å; A64-M79 CarbonylContact O-C 3.6Å; A64-M79 VanDerWaalsContact O-CA 3.27Å; A64-M79 WeakPolarHBondContact O-CA 3.49Å; A64-M79 WeakPolarHBondContact O-CB 3.46Å; A64-E80 HydrophobicContact CB-CB 4.12Å; A64-E80 WeakPolarHBondContact CB-OE2 3.49Å; A64-E80 PolarHBondContact N-OE2 2.96Å; A64-E80 PolarHBondContact O-N 3.07Å
65F94.9Very high91.9Very high57 Ų5754.7 Ų54.725%0.2529%0.29CS..EExtended strand (participates in β ladder)trans-67.5134.8166.3-176.4-99.3000110.4A51 L54 A55 V63 E67 I77A51-F65 HydrophobicContact CB-CE2 4.27Å; L54-F65 HydrophobicContact CB-CD2 4.39Å; L54-F65 HydrophobicContact CD2-CD2 4.3Å; L54-F65 HydrophobicContact CG-CB 4.16Å; L54-F65 HydrophobicContact CG-CD2 4.33Å; A55-F65 HydrophobicContact CB-CD1 3.68Å; A55-F65 HydrophobicContact CB-CD2 4.18Å; A55-F65 HydrophobicContact CB-CE1 3.7Å; A55-F65 HydrophobicContact CB-CE2 4.2Å; A55-F65 HydrophobicContact CB-CG 3.92Å; A55-F65 HydrophobicContact CB-CZ 3.96Å; V63-F65 PolarHBondContact O-N 3.18Å; F65-E67 VanDerWaalsContact CE1-CA 3.48Å; F65-E67 VanDerWaalsContact CZ-CA 3.49Å; F65-I77 HydrophobicContact CD2-CG2 4.17Å; F65-I77 HydrophobicContact CE2-CG2 4.04Å
66K94.8Very high92.1Very high73 Ų7353 Ų5332%0.31728%0.276SS..EExtended strand (participates in β ladder)trans-97.4-62.3162.5-177.2179.7170.9-169.10110Y4 H23 F30 V78Y4-K66 VanDerWaalsContact OH-CD 3.31Å; Y4-K66 WeakPolarHBondContact OH-CD 3.45Å; Y4-K66 VanDerWaalsContact OH-CE 3.23Å; Y4-K66 WeakPolarHBondContact OH-CE 3.16Å; Y4-K66 PolarHBondContact OH-NZ 3.11Å; H23-K66 PolarHBondContact CD2-NZ 2.77Å; H23-K66 PolarHBondContact NE2-NZ 3.39Å; F30-K66 HydrophobicContact CD1-CD 4.24Å; F30-K66 HydrophobicContact CE1-CB 4.45Å; F30-K66 HydrophobicContact CE1-CD 3.74Å; F30-K66 HydrophobicContact CE2-CD 4.16Å; F30-K66 HydrophobicContact CZ-CD 3.69Å; K66-V78 HydrophobicContact CB-CB 4.42Å; K66-V78 HydrophobicContact CB-CG1 4.28Å; K66-V78 HydrophobicContact CD-CG1 4.34Å; K66-V78 PolarHBondContact N-O 2.91Å
67E94.4Very high92.2Very high66 Ų6646.7 Ų46.731%0.30825%0.248SC..EExtended strand (participates in β ladder)trans-162.6173-172.362.7-175.9116.900112Y4 F65 V78Y4-E67 PolarHBondContact OH-OE1 3.32Å; F65-E67 VanDerWaalsContact CE1-CA 3.48Å; F65-E67 VanDerWaalsContact CZ-CA 3.49Å; E67-V78 HydrophobicContact CG-CB 3.88Å; E67-V78 HydrophobicContact CG-CG2 3.97Å; E67-V78 PolarHBondContact N-O 2.85Å; E67-V78 PolarHBondContact O-N 3.45Å
68S93.5Very high92.4Very high51 Ų5146.4 Ų46.436%0.35725%0.247SC..EExtended strand (participates in β ladder)trans-150.5138.1170.460.40000111.7Y76S68-Y76 CarbonylContact C-O 3.56Å; S68-Y76 WeakPolarHBondContact CA-O 3.37Å; S68-Y76 VanDerWaalsContact CB-O 3.26Å; S68-Y76 WeakPolarHBondContact CB-O 3.33Å
69F92.4Very high92.6Very high51 Ų5139.1 Ų39.122%0.22422%0.216CC..EExtended strand (participates in β ladder)trans-139160.8-179.257-99000111.3Y4 M32 Y76 V78Y4-F69 HydrophobicContact CD2-CE1 4.27Å; Y4-F69 HydrophobicContact CE2-CE1 4.18Å; M32-F69 HydrophobicContact CE-CE1 4.15Å; M32-F69 HydrophobicContact CE-CZ 3.72Å; M32-F69 HydrophobicContact SD-CZ 4.44Å; F69-Y76 AromaticContact CD2-CD2 3.82Å; F69-Y76 HydrophobicContact CD2-CD2 3.82Å; F69-Y76 HydrophobicContact CD2-CG 4.17Å; F69-Y76 AromaticContact CE2-CD2 3.48Å; F69-Y76 HydrophobicContact CE2-CD2 3.48Å; F69-Y76 VanDerWaalsContact CE2-CD2 3.48Å; F69-Y76 HydrophobicContact CE2-CE2 4.4Å; F69-Y76 AromaticContact CE2-CG 3.58Å; F69-Y76 HydrophobicContact CE2-CG 3.58Å; F69-Y76 HydrophobicContact CZ-CD2 4.39Å; F69-Y76 HydrophobicContact CZ-CG 4.06Å; F69-Y76 PolarHBondContact N-O 3.45Å; F69-Y76 PolarHBondContact O-N 2.89Å; F69-V78 HydrophobicContact CE1-CG2 3.98Å
70E91.6Very high92.8Very high91 Ų9140.8 Ų40.843%0.42522%0.223SC..EExtended strand (participates in β ladder)trans-114.5130.1177.1-64.8-174.9-175.300110.4L37 R48 H74 L75L37-E70 HydrophobicContact CD1-CB 4.41Å; L37-E70 HydrophobicContact CD1-CG 4Å; R48-E70 IonicContact CZ-OE1 3.55Å; R48-E70 VanDerWaalsContact CZ-OE1 3.28Å; R48-E70 IonicContact CZ-OE2 3.03Å; R48-E70 IonicContact NE-OE1 3.68Å; R48-E70 PolarHBondContact NE-OE1 3.04Å; R48-E70 IonicContact NE-OE2 2.69Å; R48-E70 VanDerWaalsContact NH2-CD 3.29Å; R48-E70 IonicContact NH2-OE1 2.69Å; R48-E70 PolarHBondContact NH2-OE1 3.25Å; R48-E70 IonicContact NH2-OE2 2.69Å; R48-E70 PolarHBondContact NH2-OE2 3.32Å; E70-H74 VanDerWaalsContact CA-O 3.29Å; E70-H74 WeakPolarHBondContact CA-O 3.43Å; E70-L75 HydrophobicContact CG-CB 4.26Å; E70-L75 HydrophobicContact CG-CD1 3.83Å
71A89.8Confident93Very high30 Ų3042.1 Ų42.125%0.24823%0.225CC..EExtended strand (participates in β ladder)trans-149.6148.2178.200000109.7G73 H74 Y76A71-G73 PolarHBondContact O-N 3.5Å; A71-H74 PolarHBondContact N-O 2.93Å; A71-H74 PolarHBondContact O-N 2.88Å; A71-H74 VanDerWaalsContact O-O 3.11Å; A71-Y76 HydrophobicContact CB-CD2 4.39Å; A71-Y76 HydrophobicContact CB-CE2 4.05Å
72E87.6Confident93Very high165 Ų16542.4 Ų42.477%0.77123%0.227SC*.THydrogen-bonded Turntrans51.230.3171.3-60.9179.1-146.900115.5H74E72-H74 PolarHBondContact O-ND1 3.01Å
73G86.9Confident92.9Very high49 Ų4945.4 Ų45.451%0.50524%0.243SC..THydrogen-bonded Turntrans77.417.2-177.200000115.1L37 A71L37-G73 WeakPolarHBondContact CB-O 3.31Å; L37-G73 PolarHBondContact N-O 3.15Å; A71-G73 PolarHBondContact O-N 3.5Å
74H89.9Confident92.7Very high47 Ų4745.8 Ų45.822%0.21825%0.248CC..EExtended strand (participates in β ladder)trans-126.2149.5178.1-59.483.3000110.9E34 I35 E70 A71 E72 Y76E34-H74 HydrophobicContact CG-CB 4.06Å; I35-H74 CarbonylContact O-C 3.44Å; I35-H74 WeakPolarHBondContact O-CA 3.34Å; E70-H74 VanDerWaalsContact CA-O 3.29Å; E70-H74 WeakPolarHBondContact CA-O 3.43Å; A71-H74 PolarHBondContact N-O 2.93Å; A71-H74 PolarHBondContact O-N 2.88Å; A71-H74 VanDerWaalsContact O-O 3.11Å; E72-H74 PolarHBondContact O-ND1 3.01Å; H74-Y76 HydrophobicContact CB-CD2 4.42Å; H74-Y76 HydrophobicContact CB-CE2 3.63Å
75L90.9Very high92.7Very high5 Ų544.3 Ų44.33%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-99.1124.4167.2168.266000108.2I35 L37 R48 E70 I77I35-L75 HydrophobicContact CB-CB 4.48Å; I35-L75 PolarHBondContact N-O 3.41Å; I35-L75 PolarHBondContact O-N 3.15Å; L37-L75 HydrophobicContact CD1-CB 4.18Å; L37-L75 HydrophobicContact CD2-CB 3.86Å; L37-L75 HydrophobicContact CG-CB 4.09Å; R48-L75 HydrophobicContact CG-CD2 4.34Å; E70-L75 HydrophobicContact CG-CB 4.26Å; E70-L75 HydrophobicContact CG-CD1 3.83Å; L75-I77 HydrophobicContact CD2-CD1 4.44Å; L75-I77 HydrophobicContact CD2-CG1 4.45Å; L75-I77 HydrophobicContact CG-CG1 4.19Å
76Y93.1Very high92.7Very high4 Ų442.3 Ų42.32%0.01623%0.23CC..EExtended strand (participates in β ladder)trans-103.2127.9175.2-62.7-85.2000109.1M1 M32 K33 E34 S68 F69 A71 H74M1-Y76 HydrophobicContact CE-CD1 4.32Å; M1-Y76 HydrophobicContact CE-CE1 3.44Å; M1-Y76 VanDerWaalsContact CE-CE1 3.44Å; M1-Y76 HydrophobicContact CE-CE2 4.27Å; M1-Y76 VanDerWaalsContact CE-CZ 3.44Å; M1-Y76 WeakPolarHBondContact CE-OH 3.46Å; M32-Y76 HydrophobicContact CG-CD1 3.93Å; M32-Y76 HydrophobicContact SD-CD1 3.55Å; M32-Y76 VanDerWaalsContact SD-CD1 3.55Å; M32-Y76 HydrophobicContact SD-CE1 4.3Å; M32-Y76 HydrophobicContact SD-CG 4.23Å; K33-Y76 CarbonylContact O-C 3.51Å; K33-Y76 WeakPolarHBondContact O-CA 3.08Å; E34-Y76 HydrophobicContact CB-CD1 3.88Å; E34-Y76 HydrophobicContact CB-CE1 3.62Å; E34-Y76 HydrophobicContact CG-CD1 4.07Å; E34-Y76 HydrophobicContact CG-CE1 3.38Å; E34-Y76 VanDerWaalsContact OE1-CE1 3.28Å; E34-Y76 WeakPolarHBondContact OE1-CE1 3.46Å; E34-Y76 PolarHBondContact OE1-OH 3.38Å; S68-Y76 CarbonylContact C-O 3.56Å; S68-Y76 WeakPolarHBondContact CA-O 3.37Å; S68-Y76 VanDerWaalsContact CB-O 3.26Å; S68-Y76 WeakPolarHBondContact CB-O 3.33Å; F69-Y76 AromaticContact CD2-CD2 3.82Å; F69-Y76 HydrophobicContact CD2-CD2 3.82Å; F69-Y76 HydrophobicContact CD2-CG 4.17Å; F69-Y76 AromaticContact CE2-CD2 3.48Å; F69-Y76 HydrophobicContact CE2-CD2 3.48Å; F69-Y76 VanDerWaalsContact CE2-CD2 3.48Å; F69-Y76 HydrophobicContact CE2-CE2 4.4Å; F69-Y76 AromaticContact CE2-CG 3.58Å; F69-Y76 HydrophobicContact CE2-CG 3.58Å; F69-Y76 HydrophobicContact CZ-CD2 4.39Å; F69-Y76 HydrophobicContact CZ-CG 4.06Å; F69-Y76 PolarHBondContact N-O 3.45Å; F69-Y76 PolarHBondContact O-N 2.89Å; A71-Y76 HydrophobicContact CB-CD2 4.39Å; A71-Y76 HydrophobicContact CB-CE2 4.05Å; H74-Y76 HydrophobicContact CB-CD2 4.42Å; H74-Y76 HydrophobicContact CB-CE2 3.63Å
77I93.6Very high92.7Very high0 Ų038.9 Ų38.90%021%0.214CC..EExtended strand (participates in β ladder)trans-115.9113.4174.8-50.4179.7000107.5M32 K33 I35 E50 A51 L54 F65 L75 M79M32-I77 WeakPolarHBondContact CA-O 3.2Å; K33-I77 HydrophobicContact CB-CB 4.36Å; K33-I77 PolarHBondContact N-O 3.48Å; K33-I77 PolarHBondContact O-N 2.9Å; I35-I77 HydrophobicContact CD1-CD1 3.81Å; E50-I77 HydrophobicContact CB-CD1 4.09Å; E50-I77 HydrophobicContact CG-CD1 3.92Å; A51-I77 HydrophobicContact CB-CD1 3.95Å; A51-I77 HydrophobicContact CB-CG1 4.17Å; L54-I77 HydrophobicContact CD2-CG2 4.28Å; F65-I77 HydrophobicContact CD2-CG2 4.17Å; F65-I77 HydrophobicContact CE2-CG2 4.04Å; L75-I77 HydrophobicContact CD2-CD1 4.44Å; L75-I77 HydrophobicContact CD2-CG1 4.45Å; L75-I77 HydrophobicContact CG-CG1 4.19Å; I77-M79 HydrophobicContact CB-CE 4.06Å; I77-M79 HydrophobicContact CG2-CE 3.71Å
78V95.2Very high92.7Very high0 Ų037.4 Ų37.40%021%0.208CC..EExtended strand (participates in β ladder)trans-96128.9179.5-170.70000109.7Y4 F30 A31 M32 K66 E67 F69Y4-V78 HydrophobicContact CE1-CG1 3.91Å; Y4-V78 HydrophobicContact CE1-CG2 4.5Å; Y4-V78 HydrophobicContact CE2-CG2 4.27Å; F30-V78 HydrophobicContact CB-CG1 3.64Å; F30-V78 HydrophobicContact CD1-CG1 4.23Å; F30-V78 HydrophobicContact CG-CG1 3.92Å; A31-V78 WeakPolarHBondContact O-CA 3.46Å; M32-V78 HydrophobicContact CE-CG2 3.78Å; M32-V78 HydrophobicContact CG-CG2 4.32Å; K66-V78 HydrophobicContact CB-CB 4.42Å; K66-V78 HydrophobicContact CB-CG1 4.28Å; K66-V78 HydrophobicContact CD-CG1 4.34Å; K66-V78 PolarHBondContact N-O 2.91Å; E67-V78 HydrophobicContact CG-CB 3.88Å; E67-V78 HydrophobicContact CG-CG2 3.97Å; E67-V78 PolarHBondContact N-O 2.85Å; E67-V78 PolarHBondContact O-N 3.45Å; F69-V78 HydrophobicContact CE1-CG2 3.98Å
79M95.3Very high92.8Very high20 Ų2039.4 Ų39.410%0.09921%0.212CC..EExtended strand (participates in β ladder)trans-145.7164.3-172.969.9-16968.600112A31 K33 L54 V63 A64 I77 Y81A31-M79 HydrophobicContact CB-CG 3.86Å; A31-M79 PolarHBondContact N-O 2.67Å; A31-M79 PolarHBondContact O-N 2.89Å; K33-M79 HydrophobicContact CB-CE 3.87Å; L54-M79 HydrophobicContact CD2-CE 4.11Å; V63-M79 HydrophobicContact CG1-CB 3.87Å; V63-M79 HydrophobicContact CG1-CG 3.83Å; V63-M79 HydrophobicContact CG1-SD 3.99Å; A64-M79 CarbonylContact O-C 3.6Å; A64-M79 VanDerWaalsContact O-CA 3.27Å; A64-M79 WeakPolarHBondContact O-CA 3.49Å; A64-M79 WeakPolarHBondContact O-CB 3.46Å; I77-M79 HydrophobicContact CB-CE 4.06Å; I77-M79 HydrophobicContact CG2-CE 3.71Å; M79-Y81 PolarHBondContact O-N 2.92Å
80E94.6Very high92.9Very high56 Ų5639.7 Ų39.726%0.26221%0.213SC..EExtended strand (participates in β ladder)trans-51.7124.6177.3178.4-177.6-165.700112.7V63 A64 C82 K142V63-E80 HydrophobicContact CG1-CB 4.12Å; A64-E80 HydrophobicContact CB-CB 4.12Å; A64-E80 WeakPolarHBondContact CB-OE2 3.49Å; A64-E80 PolarHBondContact N-OE2 2.96Å; A64-E80 PolarHBondContact O-N 3.07Å; E80-C82 PolarHBondContact O-N 2.87Å; E80-K142 WeakPolarHBondContact OE1-CE 3.36Å; E80-K142 IonicContact OE1-NZ 2.92Å; E80-K142 PolarHBondContact OE1-NZ 3.14Å; E80-K142 VanDerWaalsContact OE2-CE 3.29Å; E80-K142 WeakPolarHBondContact OE2-CE 3.29Å; E80-K142 IonicContact OE2-NZ 2.67Å; E80-K142 PolarHBondContact OE2-NZ 3.41Å
81Y95.1Very high93.2Very high60 Ų6036 Ų3624%0.23520%0.196CC..  trans-78.6120.2173.9179.9-126.2000111.1I10 L20 M29 A31 M79 D83I10-Y81 HydrophobicContact CD1-CD2 4.26Å; I10-Y81 HydrophobicContact CD1-CE2 4.06Å; L20-Y81 HydrophobicContact CD1-CD1 3.63Å; L20-Y81 HydrophobicContact CD1-CD2 3.71Å; L20-Y81 HydrophobicContact CD1-CE1 3.77Å; L20-Y81 HydrophobicContact CD1-CE2 3.88Å; L20-Y81 HydrophobicContact CD1-CG 3.59Å; L20-Y81 HydrophobicContact CD2-CE1 4.18Å; M29-Y81 HydrophobicContact CB-CD1 4.27Å; A31-Y81 HydrophobicContact CB-CD2 4.47Å; M79-Y81 PolarHBondContact O-N 2.92Å; Y81-D83 HydrophobicContact CD1-CB 4.23Å; Y81-D83 HydrophobicContact CE1-CB 3.95Å
82C94.8Very high93.4Very high11 Ų1141.4 Ų41.47%0.07421%0.214CC..  trans-92.8101.7174.7-63.80000110.2E80 G84 F134 L135E80-C82 PolarHBondContact O-N 2.87Å; C82-G84 PolarHBondContact O-N 3.27Å; C82-F134 HydrophobicContact CB-CB 3.46Å; C82-F134 VanDerWaalsContact CB-CB 3.46Å; C82-F134 HydrophobicContact CB-CG 4.18Å; C82-L135 CarbonylContact C-O 3.59Å
83D92.2Very high93.8Very high65 Ų6538.8 Ų38.835%0.34820%0.202SC..THydrogen-bonded Turntrans-78.5-12.7-170.363.3-18.2000115.1Y81 G85 T136 Q137Y81-D83 HydrophobicContact CD1-CB 4.23Å; Y81-D83 HydrophobicContact CE1-CB 3.95Å; D83-G85 VanDerWaalsContact C-N 3.34Å; D83-T136 WeakPolarHBondContact OD1-CA 3.43Å; D83-Q137 HydrophobicContact CB-CG 4.43Å; D83-Q137 PolarHBondContact OD1-N 3.37Å; D83-Q137 VanDerWaalsContact OD2-CD 3.28Å; D83-Q137 VanDerWaalsContact OD2-CG 3.24Å; D83-Q137 WeakPolarHBondContact OD2-CG 3.33Å; D83-Q137 PolarHBondContact OD2-NE2 3.08Å
84G92.8Very high94.2Very high12 Ų1238.8 Ų38.812%0.12419%0.189CC..THydrogen-bonded Turntrans-79.5-11.2174.800000114.7C82 K90 L135C82-G84 PolarHBondContact O-N 3.27Å; G84-K90 WeakPolarHBondContact O-CE 3.47Å; G84-K90 PolarHBondContact O-NZ 2.71Å; G84-L135 WeakPolarHBondContact CA-O 3.38Å; G84-L135 PolarHBondContact N-O 3.31Å
85G93.5Very high94.4Very high18 Ų1846 Ų4619%0.18622%0.219CC..EExtended strand (participates in β ladder)trans82.1-171.6-17400000113.5D83 F134 L135D83-G85 VanDerWaalsContact C-N 3.34Å; G85-F134 WeakPolarHBondContact O-CA 3.06Å; G85-L135 PolarHBondContact O-N 3.19Å
86D94.6Very high94.5Very high15 Ų1548.4 Ų48.48%0.0825%0.246CC..EExtended strand (participates in β ladder)trans-93.9160.7178.869.168.3000113.9M88 Q89 K90 K131 I133 F134D86-M88 VanDerWaalsContact C-N 3.31Å; D86-M88 PolarHBondContact O-N 2.94Å; D86-M88 WeakPolarHBondContact OD1-CA 3.42Å; D86-M88 VanDerWaalsContact OD1-CB 3.22Å; D86-M88 WeakPolarHBondContact OD1-CB 3.45Å; D86-M88 PolarHBondContact OD1-N 2.84Å; D86-Q89 WeakPolarHBondContact O-CB 3.28Å; D86-Q89 PolarHBondContact O-N 2.92Å; D86-Q89 PolarHBondContact OD1-N 3.4Å; D86-Q89 WeakPolarHBondContact OD2-CG 3.48Å; D86-Q89 PolarHBondContact OD2-NE2 3.16Å; D86-K90 PolarHBondContact O-N 3.39Å; D86-K90 VanDerWaalsContact O-N 3.12Å; D86-K131 WeakPolarHBondContact CB-O 3.01Å; D86-I133 CarbonylContact C-O 3.58Å; D86-I133 VanDerWaalsContact CA-O 3.32Å; D86-I133 WeakPolarHBondContact CA-O 3.45Å; D86-F134 HydrophobicContact CB-CD1 4.01Å; D86-F134 HydrophobicContact CB-CE1 4.17Å
87L95.9Very high94.7Very high0 Ų055.6 Ų55.60%028%0.277CS..Hα-helixtrans-63.7-32.9179.5-74.6-173.7000112.7Q89 K90 I91 W107 M111 S130 I133 L135 I191 L195L87-Q89 VanDerWaalsContact C-N 3.29Å; L87-Q89 PolarHBondContact O-N 2.83Å; L87-K90 PolarHBondContact O-N 3.34Å; L87-K90 VanDerWaalsContact O-N 3.12Å; L87-I91 WeakPolarHBondContact O-CB 3.47Å; L87-I91 WeakPolarHBondContact O-CD1 3.27Å; L87-I91 VanDerWaalsContact O-CG1 3.29Å; L87-I91 WeakPolarHBondContact O-CG1 3.48Å; L87-I91 PolarHBondContact O-N 3.46Å; L87-W107 HydrophobicContact CD2-CD2 4.24Å; L87-W107 HydrophobicContact CD2-CE3 3.91Å; L87-W107 HydrophobicContact CD2-CH2 4.24Å; L87-W107 HydrophobicContact CD2-CZ3 3.92Å; L87-M111 HydrophobicContact CD1-CE 4.5Å; L87-M111 HydrophobicContact CD1-SD 4.05Å; L87-S130 WeakPolarHBondContact CB-O 3.42Å; L87-S130 PolarHBondContact N-O 3.14Å; L87-I133 HydrophobicContact CB-CB 4.43Å; L87-I133 HydrophobicContact CD1-CB 3.81Å; L87-I133 HydrophobicContact CD1-CG1 4.41Å; L87-I133 HydrophobicContact CD1-CG2 3.58Å; L87-I133 HydrophobicContact CG-CB 4.01Å; L87-I133 HydrophobicContact CG-CG2 3.95Å; L87-I133 PolarHBondContact N-O 3Å; L87-L135 HydrophobicContact CD2-CD1 3.93Å; L87-L135 HydrophobicContact CD2-CD2 4.03Å; L87-L135 HydrophobicContact CD2-CG 3.98Å; L87-I191 HydrophobicContact CD1-CG2 4Å; L87-L195 HydrophobicContact CD1-CD1 4.47Å; L87-L195 HydrophobicContact CD1-CD2 4.49Å; L87-L195 HydrophobicContact CD2-CD2 4.48Å
88M94.5Very high94.9Very high36 Ų3658.2 Ų58.218%0.17729%0.291CS..Hα-helixtrans-62.8-37.7175.5-170.4-174.1-74.100111.2D86 K92 S130 K131D86-M88 VanDerWaalsContact C-N 3.31Å; D86-M88 PolarHBondContact O-N 2.94Å; D86-M88 WeakPolarHBondContact OD1-CA 3.42Å; D86-M88 VanDerWaalsContact OD1-CB 3.22Å; D86-M88 WeakPolarHBondContact OD1-CB 3.45Å; D86-M88 PolarHBondContact OD1-N 2.84Å; M88-K92 HydrophobicContact CG-CD 4.32Å; M88-K92 WeakPolarHBondContact O-CD 3.49Å; M88-K92 VanDerWaalsContact O-CG 3.28Å; M88-K92 WeakPolarHBondContact O-CG 3.37Å; M88-K92 PolarHBondContact O-N 2.89Å; M88-K92 VanDerWaalsContact O-N 3.09Å; M88-K92 PolarHBondContact SD-NZ 3.22Å; M88-S130 WeakPolarHBondContact CB-OG 3.44Å; M88-S130 PolarHBondContact N-O 3.05Å; M88-K131 HydrophobicContact CE-CB 4.19Å
89Q94.7Very high95Very high93 Ų9358.5 Ų58.544%0.43529%0.292SS..Hα-helixtrans-64.3-44.1171-68.5-179.849.300111.4D86 L87 K92 Q93D86-Q89 WeakPolarHBondContact O-CB 3.28Å; D86-Q89 PolarHBondContact O-N 2.92Å; D86-Q89 PolarHBondContact OD1-N 3.4Å; D86-Q89 WeakPolarHBondContact OD2-CG 3.48Å; D86-Q89 PolarHBondContact OD2-NE2 3.16Å; L87-Q89 VanDerWaalsContact C-N 3.29Å; L87-Q89 PolarHBondContact O-N 2.83Å; Q89-K92 PolarHBondContact O-N 3.06Å; Q89-Q93 WeakPolarHBondContact O-CB 3.37Å; Q89-Q93 WeakPolarHBondContact O-CG 3.5Å; Q89-Q93 PolarHBondContact O-N 2.86Å
90K95.3Very high95.1Very high57 Ų5761.4 Ų61.425%0.24831%0.313CS..Hα-helixtrans-62.2-43.1176.5-64.8-46.6-167.8-164.50113G84 D86 L87 K92 Q93 Q94 F99 L135G84-K90 WeakPolarHBondContact O-CE 3.47Å; G84-K90 PolarHBondContact O-NZ 2.71Å; D86-K90 PolarHBondContact O-N 3.39Å; D86-K90 VanDerWaalsContact O-N 3.12Å; L87-K90 PolarHBondContact O-N 3.34Å; L87-K90 VanDerWaalsContact O-N 3.12Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K90-K92 PolarHBondContact O-N 3.4Å; K90-Q93 PolarHBondContact O-N 3.25Å; K90-Q94 PolarHBondContact O-N 2.81Å; K90-F99 HydrophobicContact CB-CZ 4.21Å; K90-L135 HydrophobicContact CD-CD1 4.4Å; K90-L135 HydrophobicContact CG-CD1 3.71Å
91I96.4Very high95.1Very high14 Ų1460.5 Ų60.57%0.07231%0.308CS..Hα-helixtrans-59.2-44.8175.9-71.7156.3000110.5L87 Q94 F99 E194 L195 L198L87-I91 WeakPolarHBondContact O-CB 3.47Å; L87-I91 WeakPolarHBondContact O-CD1 3.27Å; L87-I91 VanDerWaalsContact O-CG1 3.29Å; L87-I91 WeakPolarHBondContact O-CG1 3.48Å; L87-I91 PolarHBondContact O-N 3.46Å; I91-Q94 PolarHBondContact O-N 2.82Å; I91-F99 HydrophobicContact CG1-CE2 4.17Å; I91-E194 HydrophobicContact CD1-CB 3.83Å; I91-L195 HydrophobicContact CD1-CD2 4.31Å; I91-L195 HydrophobicContact CG1-CD2 4.22Å; I91-L198 HydrophobicContact CB-CD2 4.48Å; I91-L198 HydrophobicContact CG2-CB 4.17Å; I91-L198 HydrophobicContact CG2-CD2 3.98Å
92K94.9Very high95Very high142 Ų14263.3 Ų63.362%0.61733%0.327SS*.Hα-helixtrans-66-37.3175.5-71.1167.4-177.2170.10112.8M88 Q89 K90 Q94 K95M88-K92 HydrophobicContact CG-CD 4.32Å; M88-K92 WeakPolarHBondContact O-CD 3.49Å; M88-K92 VanDerWaalsContact O-CG 3.28Å; M88-K92 WeakPolarHBondContact O-CG 3.37Å; M88-K92 PolarHBondContact O-N 2.89Å; M88-K92 VanDerWaalsContact O-N 3.09Å; M88-K92 PolarHBondContact SD-NZ 3.22Å; Q89-K92 PolarHBondContact O-N 3.06Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K90-K92 PolarHBondContact O-N 3.4Å; K92-Q94 PolarHBondContact O-N 3.45Å; K92-K95 PolarHBondContact O-N 3.01Å
93Q95.8Very high94.9Very high110 Ų11066.6 Ų66.651%0.51434%0.342SS..Hα-helixtrans-64.2-23.6-179.9-77164.815.500113.4Q89 K90 K95Q89-Q93 WeakPolarHBondContact O-CB 3.37Å; Q89-Q93 WeakPolarHBondContact O-CG 3.5Å; Q89-Q93 PolarHBondContact O-N 2.86Å; K90-Q93 PolarHBondContact O-N 3.25Å; Q93-K95 VanDerWaalsContact C-N 3.29Å; Q93-K95 PolarHBondContact O-N 3.5Å
94Q95.6Very high95.1Very high50 Ų5063.5 Ų63.523%0.23433%0.326CS..THydrogen-bonded Turntrans-68-20.4178.4-75.9-58-8.300115.4K90 I91 K92 G96 K97 F99 L198K90-Q94 PolarHBondContact O-N 2.81Å; I91-Q94 PolarHBondContact O-N 2.82Å; K92-Q94 PolarHBondContact O-N 3.45Å; Q94-G96 PolarHBondContact O-N 3.17Å; Q94-K97 VanDerWaalsContact CB-O 3.24Å; Q94-K97 WeakPolarHBondContact CB-O 3.42Å; Q94-K97 WeakPolarHBondContact CG-O 3.32Å; Q94-K97 WeakPolarHBondContact O-CB 3.48Å; Q94-K97 PolarHBondContact O-N 2.84Å; Q94-K97 PolarHBondContact OE1-O 2.89Å; Q94-F99 HydrophobicContact CG-CD1 4.5Å; Q94-F99 HydrophobicContact CG-CD2 4.1Å; Q94-F99 HydrophobicContact CG-CE1 4.01Å; Q94-F99 HydrophobicContact CG-CE2 3.57Å; Q94-F99 HydrophobicContact CG-CZ 3.51Å; Q94-L198 HydrophobicContact CB-CD1 3.84Å; Q94-L198 HydrophobicContact CB-CD2 4.08Å; Q94-L198 HydrophobicContact CG-CD2 4.14Å
95K93.6Very high95.2Very high197 Ų19763 Ų6386%0.85732%0.321SS*.THydrogen-bonded Turntrans50.532.6178.3-59.6175.7-178.1179.20114.5K92 Q93K92-K95 PolarHBondContact O-N 3.01Å; Q93-K95 VanDerWaalsContact C-N 3.29Å; Q93-K95 PolarHBondContact O-N 3.5Å
96G93.7Very high95.1Very high57 Ų5765 Ų6559%0.58833%0.327SS*.THydrogen-bonded Turntrans101.9-11.5-179.400000115.6Q94 L98Q94-G96 PolarHBondContact O-N 3.17Å; G96-L98 PolarHBondContact O-N 2.94Å
97K96.9Very high95.1Very high155 Ų15564.9 Ų64.967%0.67433%0.325SS*.PPolyproline II helixtrans-75.5118.3174-176.2-179.4177.4-178.80110.7Q94Q94-K97 VanDerWaalsContact CB-O 3.24Å; Q94-K97 WeakPolarHBondContact CB-O 3.42Å; Q94-K97 WeakPolarHBondContact CG-O 3.32Å; Q94-K97 WeakPolarHBondContact O-CB 3.48Å; Q94-K97 PolarHBondContact O-N 2.84Å; Q94-K97 PolarHBondContact OE1-O 2.89Å
98L97.6Very high95.2Very high55 Ų5564.9 Ų64.929%0.28833%0.325SS..PPolyproline II helixtrans-69.2149.7-179.8-57.6178.5000111.8G96 L198 P223G96-L98 PolarHBondContact O-N 2.94Å; L98-L198 HydrophobicContact CD2-CD1 4.09Å; L98-L198 HydrophobicContact CD2-CG 3.94Å; L98-P223 HydrophobicContact CD1-CB 4.21Å; L98-P223 HydrophobicContact CD1-CG 3.85Å
99F97.4Very high95.1Very high6 Ų663.2 Ų63.23%0.02632%0.317CS..PPolyproline II helixtrans-75.8145.6179.9-74.6-86.9000111.1K90 I91 Q94 M103 I104 W107 L195 L198 Y226K90-F99 HydrophobicContact CB-CZ 4.21Å; I91-F99 HydrophobicContact CG1-CE2 4.17Å; Q94-F99 HydrophobicContact CG-CD1 4.5Å; Q94-F99 HydrophobicContact CG-CD2 4.1Å; Q94-F99 HydrophobicContact CG-CE1 4.01Å; Q94-F99 HydrophobicContact CG-CE2 3.57Å; Q94-F99 HydrophobicContact CG-CZ 3.51Å; F99-M103 HydrophobicContact CD1-SD 3.91Å; F99-M103 HydrophobicContact CE1-SD 4.48Å; F99-I104 HydrophobicContact CB-CD1 3.92Å; F99-I104 HydrophobicContact CB-CG1 3.62Å; F99-W107 HydrophobicContact CD1-CH2 4.21Å; F99-W107 AromaticContact CD1-CZ3 3.91Å; F99-W107 HydrophobicContact CD1-CZ3 3.91Å; F99-W107 AromaticContact CE1-CH2 3.57Å; F99-W107 HydrophobicContact CE1-CH2 3.57Å; F99-W107 AromaticContact CE1-CZ3 3.51Å; F99-W107 HydrophobicContact CE1-CZ3 3.51Å; F99-W107 HydrophobicContact CZ-CH2 4.19Å; F99-W107 AromaticContact CZ-CZ3 3.92Å; F99-W107 HydrophobicContact CZ-CZ3 3.92Å; F99-L195 HydrophobicContact CD2-CD2 4.47Å; F99-L195 WeakPolarHBondContact CD2-O 3.42Å; F99-L195 HydrophobicContact CE2-CD2 4.25Å; F99-L198 HydrophobicContact CD2-CD2 3.84Å; F99-L198 HydrophobicContact CE2-CD2 3.67Å; F99-Y226 PolarHBondContact O-OH 3.36Å
100P96.8Very high95.1Very high81 Ų8159.4 Ų59.453%0.52630%0.299SS..PPolyproline II helixtrans-62.4141.6169.8-19.932.6000111.5D102 M103 I104P100-D102 PolarHBondContact O-N 3.38Å; P100-M103 HydrophobicContact CB-CB 4.4Å; P100-M103 VanDerWaalsContact O-CB 3.3Å; P100-M103 WeakPolarHBondContact O-CB 3.3Å; P100-M103 PolarHBondContact O-N 2.95Å; P100-I104 PolarHBondContact O-N 2.87Å; P100-I104 VanDerWaalsContact O-N 3.17Å
101E95.9Very high95.1Very high37 Ų3756.7 Ų56.717%0.17329%0.287CS..Hα-helixtrans-58-44.6-175-177160.5154.200113.3M103 I104 L105 Y226 S227 L230E101-M103 PolarHBondContact O-N 3.18Å; E101-M103 VanDerWaalsContact O-N 3.16Å; E101-I104 WeakPolarHBondContact O-CB 3.46Å; E101-I104 PolarHBondContact O-N 2.8Å; E101-I104 VanDerWaalsContact O-N 3.1Å; E101-L105 HydrophobicContact CG-CD1 3.62Å; E101-L105 HydrophobicContact CG-CG 3.99Å; E101-L105 WeakPolarHBondContact O-CG 3.22Å; E101-L105 PolarHBondContact O-N 3.47Å; E101-Y226 HydrophobicContact CB-CD1 4.13Å; E101-Y226 HydrophobicContact CB-CE1 4.48Å; E101-Y226 HydrophobicContact CG-CD1 4.42Å; E101-Y226 WeakPolarHBondContact OE2-CA 3.4Å; E101-S227 WeakPolarHBondContact OE1-CB 3.32Å; E101-S227 PolarHBondContact OE1-OG 3.42Å; E101-S227 PolarHBondContact OE2-N 2.84Å; E101-L230 HydrophobicContact CG-CD2 3.73Å
102D92.1Very high95.1Very high119 Ų11956 Ų5664%0.63628%0.284SS*.Hα-helixtrans-55.6-34.6175.9-65.5-67.8000113P100 N106P100-D102 PolarHBondContact O-N 3.38Å; D102-N106 WeakPolarHBondContact O-CB 3.33Å; D102-N106 PolarHBondContact O-N 2.86Å
103M93.7Very high95Very high79 Ų7949.3 Ų49.339%0.38926%0.255SS..Hα-helixtrans-73.1-41.9179.5-168.7172.7-16900111.1F99 P100 E101 W107F99-M103 HydrophobicContact CD1-SD 3.91Å; F99-M103 HydrophobicContact CE1-SD 4.48Å; P100-M103 HydrophobicContact CB-CB 4.4Å; P100-M103 VanDerWaalsContact O-CB 3.3Å; P100-M103 WeakPolarHBondContact O-CB 3.3Å; P100-M103 PolarHBondContact O-N 2.95Å; E101-M103 PolarHBondContact O-N 3.18Å; E101-M103 VanDerWaalsContact O-N 3.16Å; M103-W107 HydrophobicContact CE-CH2 3.68Å; M103-W107 HydrophobicContact CE-CZ2 3.54Å; M103-W107 HydrophobicContact CG-CH2 4.44Å; M103-W107 HydrophobicContact CG-CZ2 4.35Å; M103-W107 PolarHBondContact O-N 2.97Å
104I96.3Very high95Very high0 Ų044 Ų440%023%0.23CC..Hα-helixtrans-61.4-50.8174.1-59.7175.6000109.9F99 P100 E101 W107 F108 L192 L195 Y226F99-I104 HydrophobicContact CB-CD1 3.92Å; F99-I104 HydrophobicContact CB-CG1 3.62Å; P100-I104 PolarHBondContact O-N 2.87Å; P100-I104 VanDerWaalsContact O-N 3.17Å; E101-I104 WeakPolarHBondContact O-CB 3.46Å; E101-I104 PolarHBondContact O-N 2.8Å; E101-I104 VanDerWaalsContact O-N 3.1Å; I104-W107 PolarHBondContact O-N 3.25Å; I104-F108 VanDerWaalsContact O-CB 3.3Å; I104-F108 WeakPolarHBondContact O-CB 3.38Å; I104-F108 PolarHBondContact O-N 3.07Å; I104-L192 HydrophobicContact CG2-CD1 3.49Å; I104-L192 VanDerWaalsContact CG2-CD1 3.49Å; I104-L195 HydrophobicContact CG1-CB 4.18Å; I104-L195 HydrophobicContact CG2-CB 3.85Å; I104-L195 HydrophobicContact CG2-CD1 4.23Å; I104-Y226 HydrophobicContact CD1-CE1 3.59Å
105L94.1Very high95Very high3 Ų341.7 Ų41.72%0.01622%0.219CC..Hα-helixtrans-70.5-34.4-174.9-66174.9000112.8E101 F108 T109 L230 I256 L260E101-L105 HydrophobicContact CG-CD1 3.62Å; E101-L105 HydrophobicContact CG-CG 3.99Å; E101-L105 WeakPolarHBondContact O-CG 3.22Å; E101-L105 PolarHBondContact O-N 3.47Å; L105-F108 PolarHBondContact O-N 3.06Å; L105-T109 WeakPolarHBondContact O-CB 3.19Å; L105-T109 PolarHBondContact O-N 3.29Å; L105-T109 PolarHBondContact O-OG1 2.93Å; L105-L230 HydrophobicContact CD2-CD1 4.06Å; L105-I256 HydrophobicContact CD1-CD1 3.53Å; L105-I256 HydrophobicContact CD1-CG1 3.96Å; L105-I256 HydrophobicContact CD1-CG2 4.49Å; L105-I256 HydrophobicContact CD2-CG2 4.28Å; L105-L260 HydrophobicContact CB-CD1 3.4Å; L105-L260 HydrophobicContact CD1-CD1 3.93Å; L105-L260 HydrophobicContact CG-CD1 4.27Å
106N91.5Very high95Very high59 Ų5932.5 Ų32.532%0.31618%0.18SC..Hα-helixtrans-60.1-51.2171.2177.25.2000111D102 F108 T109 Q110 C264D102-N106 WeakPolarHBondContact O-CB 3.33Å; D102-N106 PolarHBondContact O-N 2.86Å; N106-F108 VanDerWaalsContact C-N 3.34Å; N106-F108 PolarHBondContact O-N 3.37Å; N106-T109 PolarHBondContact O-N 3.43Å; N106-Q110 WeakPolarHBondContact O-CG 3.45Å; N106-Q110 PolarHBondContact O-N 3.31Å; N106-Q110 VanDerWaalsContact O-N 3.16Å; N106-Q110 PolarHBondContact OD1-NE2 2.9Å; N106-C264 PolarHBondContact OD1-SG 2.99Å
107W95.3Very high95Very high13 Ų1330.8 Ų30.85%0.04916%0.156CC..Hα-helixtrans-62.6-40.8176.4-71.3-19.4000112.5L87 F99 M103 I104 Q110 M111 L135 V141 L195L87-W107 HydrophobicContact CD2-CD2 4.24Å; L87-W107 HydrophobicContact CD2-CE3 3.91Å; L87-W107 HydrophobicContact CD2-CH2 4.24Å; L87-W107 HydrophobicContact CD2-CZ3 3.92Å; F99-W107 HydrophobicContact CD1-CH2 4.21Å; F99-W107 AromaticContact CD1-CZ3 3.91Å; F99-W107 HydrophobicContact CD1-CZ3 3.91Å; F99-W107 AromaticContact CE1-CH2 3.57Å; F99-W107 HydrophobicContact CE1-CH2 3.57Å; F99-W107 AromaticContact CE1-CZ3 3.51Å; F99-W107 HydrophobicContact CE1-CZ3 3.51Å; F99-W107 HydrophobicContact CZ-CH2 4.19Å; F99-W107 AromaticContact CZ-CZ3 3.92Å; F99-W107 HydrophobicContact CZ-CZ3 3.92Å; M103-W107 HydrophobicContact CE-CH2 3.68Å; M103-W107 HydrophobicContact CE-CZ2 3.54Å; M103-W107 HydrophobicContact CG-CH2 4.44Å; M103-W107 HydrophobicContact CG-CZ2 4.35Å; M103-W107 PolarHBondContact O-N 2.97Å; I104-W107 PolarHBondContact O-N 3.25Å; W107-Q110 PolarHBondContact O-N 2.79Å; W107-M111 WeakPolarHBondContact O-CG 3.38Å; W107-M111 PolarHBondContact O-N 2.85Å; W107-L135 HydrophobicContact CH2-CD1 4.01Å; W107-L135 HydrophobicContact CZ2-CD1 3.45Å; W107-L135 VanDerWaalsContact CZ2-CD1 3.45Å; W107-L135 HydrophobicContact CZ2-CD2 4.34Å; W107-V141 HydrophobicContact CB-CG2 3.88Å; W107-V141 VanDerWaalsContact CD1-CG2 3.42Å; W107-V141 HydrophobicContact CG-CG2 3.84Å; W107-L195 HydrophobicContact CE3-CD1 4.28Å; W107-L195 HydrophobicContact CE3-CD2 3.79Å; W107-L195 HydrophobicContact CZ3-CD2 3.81Å
108F96.4Very high94.9Very high0 Ų023.4 Ų23.40%012%0.124CC..Hα-helixtrans-62.2-45.2177.5-175.9-101.5000112.5I104 L105 N106 Q110 M111 C112 L188 L192 L233 M237 L251 V257I104-F108 VanDerWaalsContact O-CB 3.3Å; I104-F108 WeakPolarHBondContact O-CB 3.38Å; I104-F108 PolarHBondContact O-N 3.07Å; L105-F108 PolarHBondContact O-N 3.06Å; N106-F108 VanDerWaalsContact C-N 3.34Å; N106-F108 PolarHBondContact O-N 3.37Å; F108-Q110 VanDerWaalsContact C-N 3.31Å; F108-Q110 PolarHBondContact O-N 3.22Å; F108-M111 HydrophobicContact CB-CE 4.39Å; F108-M111 HydrophobicContact CD2-CE 4.16Å; F108-M111 PolarHBondContact O-N 3.22Å; F108-M111 VanDerWaalsContact O-N 3.14Å; F108-C112 WeakPolarHBondContact CE1-SG 3.19Å; F108-C112 VanDerWaalsContact CZ-SG 3.5Å; F108-C112 PolarHBondContact O-N 2.77Å; F108-C112 PolarHBondContact O-SG 2.98Å; F108-C112 VanDerWaalsContact O-SG 3.41Å; F108-L188 HydrophobicContact CE2-CD1 4.37Å; F108-L188 HydrophobicContact CE2-CD2 4.16Å; F108-L188 HydrophobicContact CE2-CG 3.9Å; F108-L188 HydrophobicContact CZ-CD2 4.49Å; F108-L192 HydrophobicContact CB-CD1 4.17Å; F108-L192 HydrophobicContact CD2-CB 3.86Å; F108-L192 HydrophobicContact CD2-CD1 3.76Å; F108-L192 HydrophobicContact CD2-CD2 3.86Å; F108-L192 HydrophobicContact CD2-CG 4.03Å; F108-L192 HydrophobicContact CE1-CD2 4.36Å; F108-L192 HydrophobicContact CE2-CB 3.86Å; F108-L192 HydrophobicContact CE2-CD1 4.37Å; F108-L192 HydrophobicContact CE2-CD2 3.62Å; F108-L192 HydrophobicContact CE2-CG 4.15Å; F108-L192 HydrophobicContact CG-CD1 3.99Å; F108-L192 HydrophobicContact CG-CD2 4.33Å; F108-L192 HydrophobicContact CZ-CD2 3.89Å; F108-L233 HydrophobicContact CD1-CD2 4.19Å; F108-L233 HydrophobicContact CE1-CD1 4.13Å; F108-L233 HydrophobicContact CE1-CD2 3.78Å; F108-L233 HydrophobicContact CE1-CG 4.39Å; F108-L233 HydrophobicContact CZ-CD1 4.23Å; F108-L233 HydrophobicContact CZ-CD2 4.33Å; F108-M237 HydrophobicContact CE2-CE 3.74Å; F108-M237 HydrophobicContact CE2-SD 3.91Å; F108-M237 HydrophobicContact CZ-CE 3.66Å; F108-M237 HydrophobicContact CZ-SD 3.6Å; F108-M237 VanDerWaalsContact CZ-SD 3.6Å; F108-L251 HydrophobicContact CZ-CD1 4.26Å; F108-V257 HydrophobicContact CD1-CG2 4.03Å; F108-V257 HydrophobicContact CE1-CG2 3.96Å
109T93.7Very high94.7Very high0 Ų022.1 Ų22.10%012%0.117CC..Hα-helixtrans-57.3-46176.2-55.80000110.7L105 N106 M111 C112 L113 L252 V257 V261 C264L105-T109 WeakPolarHBondContact O-CB 3.19Å; L105-T109 PolarHBondContact O-N 3.29Å; L105-T109 PolarHBondContact O-OG1 2.93Å; N106-T109 PolarHBondContact O-N 3.43Å; T109-M111 PolarHBondContact O-N 3.39Å; T109-C112 PolarHBondContact O-N 2.86Å; T109-L113 HydrophobicContact CG2-CD1 4.22Å; T109-L113 WeakPolarHBondContact O-CD1 3.36Å; T109-L113 WeakPolarHBondContact O-CG 3.48Å; T109-L113 PolarHBondContact O-N 3.37Å; T109-L252 HydrophobicContact CG2-CD2 4.34Å; T109-V257 HydrophobicContact CG2-CG1 4.15Å; T109-V261 HydrophobicContact CG2-CB 4.5Å; T109-V261 HydrophobicContact CG2-CG2 3.8Å; T109-C264 HydrophobicContact CG2-CB 4.17Å
110Q93.5Very high94.3Very high13 Ų1325 Ų256%0.06113%0.129CC..Hα-helixtrans-64.4-36.7176-70.9-17665.100113.6N61 N106 W107 F108 G114 V141 C264N61-Q110 VanDerWaalsContact CB-O 3.24Å; N61-Q110 WeakPolarHBondContact CB-O 3.5Å; N61-Q110 PolarHBondContact ND2-OE1 3.42Å; N106-Q110 WeakPolarHBondContact O-CG 3.45Å; N106-Q110 PolarHBondContact O-N 3.31Å; N106-Q110 VanDerWaalsContact O-N 3.16Å; N106-Q110 PolarHBondContact OD1-NE2 2.9Å; W107-Q110 PolarHBondContact O-N 2.79Å; F108-Q110 VanDerWaalsContact C-N 3.31Å; F108-Q110 PolarHBondContact O-N 3.22Å; Q110-G114 PolarHBondContact O-N 3.09Å; Q110-V141 HydrophobicContact CB-CB 3.79Å; Q110-V141 HydrophobicContact CB-CG2 3.86Å; Q110-C264 HydrophobicContact CG-CB 4.42Å
111M96.8Very high94.1Very high0 Ų025.4 Ų25.40%012%0.123CC..Hα-helixtrans-65.7-46172.3-69.7-173.1-7000111.6L87 W107 F108 T109 L113 G114 V115 I133 V141 L143 L188 I191 L195L87-M111 HydrophobicContact CD1-CE 4.5Å; L87-M111 HydrophobicContact CD1-SD 4.05Å; W107-M111 WeakPolarHBondContact O-CG 3.38Å; W107-M111 PolarHBondContact O-N 2.85Å; F108-M111 HydrophobicContact CB-CE 4.39Å; F108-M111 HydrophobicContact CD2-CE 4.16Å; F108-M111 PolarHBondContact O-N 3.22Å; F108-M111 VanDerWaalsContact O-N 3.14Å; T109-M111 PolarHBondContact O-N 3.39Å; M111-L113 VanDerWaalsContact C-N 3.35Å; M111-L113 PolarHBondContact O-N 3.24Å; M111-G114 PolarHBondContact O-N 3.12Å; M111-V115 WeakPolarHBondContact O-CG2 3.43Å; M111-V115 PolarHBondContact O-N 3.1Å; M111-I133 HydrophobicContact CG-CG2 4.03Å; M111-I133 HydrophobicContact SD-CB 4.47Å; M111-I133 HydrophobicContact SD-CG1 4Å; M111-I133 HydrophobicContact SD-CG2 3.82Å; M111-V141 HydrophobicContact CG-CG1 3.73Å; M111-L143 HydrophobicContact CB-CD2 4.35Å; M111-L143 HydrophobicContact CG-CD2 4.2Å; M111-L188 HydrophobicContact CB-CD1 3.65Å; M111-L188 HydrophobicContact CE-CD1 4.02Å; M111-L188 HydrophobicContact CG-CD1 4.34Å; M111-L188 HydrophobicContact SD-CD1 3.86Å; M111-I191 HydrophobicContact CE-CG2 3.92Å; M111-I191 HydrophobicContact SD-CD1 4.46Å; M111-I191 HydrophobicContact SD-CG2 3.92Å; M111-L195 HydrophobicContact CE-CD1 4.1Å
112C95.8Very high93.8Very high0 Ų032.6 Ų32.60%015%0.148CC..Hα-helixtrans-57.1-45.7177-73.10000111.9F108 T109 G114 V115 N116 L252F108-C112 WeakPolarHBondContact CE1-SG 3.19Å; F108-C112 VanDerWaalsContact CZ-SG 3.5Å; F108-C112 PolarHBondContact O-N 2.77Å; F108-C112 PolarHBondContact O-SG 2.98Å; F108-C112 VanDerWaalsContact O-SG 3.41Å; T109-C112 PolarHBondContact O-N 2.86Å; C112-G114 VanDerWaalsContact C-N 3.34Å; C112-G114 PolarHBondContact O-N 3.45Å; C112-V115 PolarHBondContact O-N 3.24Å; C112-N116 WeakPolarHBondContact O-CB 3.45Å; C112-N116 PolarHBondContact O-N 2.99Å; C112-L252 HydrophobicContact CB-CD1 4.17Å; C112-L252 HydrophobicContact CB-CD2 3.63Å; C112-L252 HydrophobicContact CB-CG 3.83Å
113L92.9Very high93.7Very high1 Ų127.1 Ų27.11%0.00512%0.119CC..Hα-helixtrans-56.1-47.4176.3-73157.7000111.6H59 T109 M111 N116 H117 L252 L265 Y273H59-L113 VanDerWaalsContact CE1-C 3.45Å; T109-L113 HydrophobicContact CG2-CD1 4.22Å; T109-L113 WeakPolarHBondContact O-CD1 3.36Å; T109-L113 WeakPolarHBondContact O-CG 3.48Å; T109-L113 PolarHBondContact O-N 3.37Å; M111-L113 VanDerWaalsContact C-N 3.35Å; M111-L113 PolarHBondContact O-N 3.24Å; L113-N116 PolarHBondContact O-N 3.16Å; L113-H117 PolarHBondContact O-N 3.2Å; L113-H117 VanDerWaalsContact O-N 3.15Å; L113-L252 HydrophobicContact CD2-CD1 4.18Å; L113-L252 HydrophobicContact CD2-CD2 4.09Å; L113-L252 HydrophobicContact CG-CD1 4.37Å; L113-L252 HydrophobicContact CG-CD2 3.85Å; L113-L265 HydrophobicContact CD1-CD1 4.47Å; L113-L265 HydrophobicContact CD1-CD2 3.43Å; L113-L265 VanDerWaalsContact CD1-CD2 3.43Å; L113-L265 HydrophobicContact CD1-CG 4.02Å; L113-L265 HydrophobicContact CD2-CD1 4.29Å; L113-L265 HydrophobicContact CD2-CD2 4.35Å; L113-Y273 HydrophobicContact CD2-CD1 4.34Å; L113-Y273 HydrophobicContact CD2-CD2 3.68Å; L113-Y273 HydrophobicContact CD2-CE1 4.36Å; L113-Y273 HydrophobicContact CD2-CE2 3.7Å; L113-Y273 HydrophobicContact CD2-CG 4.04Å
114G94.6Very high93.5Very high0 Ų023.8 Ų23.80%010%0.103CC..Hα-helixtrans-62.6-43.6176.100000113.7H59 Q110 M111 C112 N116 H117 I118H59-G114 PolarHBondContact CE1-N 3.32Å; Q110-G114 PolarHBondContact O-N 3.09Å; M111-G114 PolarHBondContact O-N 3.12Å; C112-G114 VanDerWaalsContact C-N 3.34Å; C112-G114 PolarHBondContact O-N 3.45Å; G114-N116 VanDerWaalsContact C-N 3.34Å; G114-H117 PolarHBondContact O-N 3.49Å; G114-I118 WeakPolarHBondContact O-CG1 3.26Å; G114-I118 PolarHBondContact O-N 2.77Å
115V96.3Very high93.3Very high1 Ų123.9 Ų23.91%0.00610%0.103CC..Hα-helixtrans-65.2-39.9177.7173.50000110.7M111 C112 H117 I118 H119 I128 L143 I185 L188 A248M111-V115 WeakPolarHBondContact O-CG2 3.43Å; M111-V115 PolarHBondContact O-N 3.1Å; C112-V115 PolarHBondContact O-N 3.24Å; V115-H117 PolarHBondContact O-N 3.07Å; V115-I118 PolarHBondContact O-N 3.42Å; V115-H119 VanDerWaalsContact CG1-CE1 3.41Å; V115-H119 WeakPolarHBondContact CG1-CE1 3.45Å; V115-H119 PolarHBondContact O-N 3.2Å; V115-I128 HydrophobicContact CG2-CD1 3.76Å; V115-L143 HydrophobicContact CG2-CD1 3.79Å; V115-I185 HydrophobicContact CG1-CD1 4.46Å; V115-L188 HydrophobicContact CG2-CD2 4.33Å; V115-A248 HydrophobicContact CG1-CB 4.23Å
116N94.6Very high93.1Very high4 Ų426 Ų262%0.02111%0.111CC..Hα-helixtrans-59.5-46.6177.7-159.749.1000111.9C112 L113 G114 I118 H119 K120 A248 T249 L252C112-N116 WeakPolarHBondContact O-CB 3.45Å; C112-N116 PolarHBondContact O-N 2.99Å; L113-N116 PolarHBondContact O-N 3.16Å; G114-N116 VanDerWaalsContact C-N 3.34Å; N116-I118 VanDerWaalsContact C-N 3.31Å; N116-I118 PolarHBondContact O-N 2.77Å; N116-H119 PolarHBondContact O-N 3.38Å; N116-K120 WeakPolarHBondContact ND2-CE 3.45Å; N116-K120 WeakPolarHBondContact O-CG 3.33Å; N116-K120 PolarHBondContact O-N 2.92Å; N116-A248 HydrophobicContact CB-CB 3.82Å; N116-A248 WeakPolarHBondContact OD1-CB 3.46Å; N116-T249 PolarHBondContact OD1-N 3.42Å; N116-T249 VanDerWaalsContact OD1-N 3.13Å; N116-T249 PolarHBondContact OD1-OG1 3.46Å; N116-T249 VanDerWaalsContact OD1-OG1 3.1Å; N116-L252 HydrophobicContact CB-CD1 3.78Å
117H93.6Very high93Very high21 Ų2124.8 Ų24.810%0.09711%0.105CC..Hα-helixtrans-61.8-36.7176.6-176.199.1000112.8K58 H59 L113 G114 V115 K121K58-H117 PolarHBondContact N-NE2 2.53Å; K58-H117 PolarHBondContact O-CE1 3.1Å; K58-H117 PolarHBondContact O-NE2 3.01Å; H59-H117 HydrophobicContact CB-CB 4.31Å; H59-H117 AromaticContact CD2-CG 3.8Å; H59-H117 AromaticContact CD2-ND1 3.62Å; H59-H117 AromaticContact CG-CG 3.85Å; H59-H117 AromaticContact CG-ND1 3.99Å; L113-H117 PolarHBondContact O-N 3.2Å; L113-H117 VanDerWaalsContact O-N 3.15Å; G114-H117 PolarHBondContact O-N 3.49Å; V115-H117 PolarHBondContact O-N 3.07Å; H117-K121 WeakPolarHBondContact NE2-CE 3.32Å; H117-K121 PolarHBondContact O-N 3.25Å
118I93.8Very high92.9Very high0 Ų024.2 Ų24.20%010%0.102CC..Hα-helixtrans-66.9-45.6174.8-64.6165.8000110.5M57 I62 G114 V115 N116 K121 V123 H125 L143 F146M57-I118 HydrophobicContact CE-CG1 4.39Å; M57-I118 HydrophobicContact CE-CG2 4.26Å; M57-I118 HydrophobicContact SD-CG1 4.12Å; I62-I118 HydrophobicContact CD1-CD1 4.1Å; I62-I118 HydrophobicContact CD1-CG1 3.7Å; G114-I118 WeakPolarHBondContact O-CG1 3.26Å; G114-I118 PolarHBondContact O-N 2.77Å; V115-I118 PolarHBondContact O-N 3.42Å; N116-I118 VanDerWaalsContact C-N 3.31Å; N116-I118 PolarHBondContact O-N 2.77Å; I118-K121 PolarHBondContact O-N 2.6Å; I118-V123 HydrophobicContact CG2-CB 3.9Å; I118-V123 HydrophobicContact CG2-CG1 3.84Å; I118-V123 WeakPolarHBondContact CG2-O 3.33Å; I118-V123 PolarHBondContact O-N 3.27Å; I118-H125 HydrophobicContact CG2-CB 4.5Å; I118-L143 HydrophobicContact CD1-CD1 3.84Å; I118-F146 HydrophobicContact CD1-CE1 3.99Å; I118-F146 HydrophobicContact CD1-CZ 3.65Å; I118-F146 HydrophobicContact CG1-CE1 4.13Å; I118-F146 HydrophobicContact CG1-CZ 4.08Å
119H93.8Very high92.8Very high28 Ų2826.3 Ų26.313%0.1311%0.112CC..Hα-helixtrans-67.4-42.4-179.5-71.3179.8000112.7V115 N116 K121 R122 V123 N181 D184V115-H119 VanDerWaalsContact CG1-CE1 3.41Å; V115-H119 WeakPolarHBondContact CG1-CE1 3.45Å; V115-H119 PolarHBondContact O-N 3.2Å; N116-H119 PolarHBondContact O-N 3.38Å; H119-K121 PolarHBondContact O-N 2.91Å; H119-R122 WeakPolarHBondContact O-CA 3.06Å; H119-R122 PolarHBondContact O-N 3.26Å; H119-V123 PolarHBondContact CD2-O 2.84Å; H119-N181 PolarHBondContact CE1-O 2.85Å; H119-N181 VanDerWaalsContact CE1-O 3.28Å; H119-D184 IonicContact CD2-OD2 3.91Å; H119-D184 IonicContact CE1-OD2 2.72Å; H119-D184 WeakPolarHBondContact NE2-CB 3.11Å; H119-D184 IonicContact NE2-OD2 3.73Å; H119-D184 PolarHBondContact NE2-OD2 3.22Å
120K90Very high92.8Very high66 Ų6626.3 Ų26.329%0.28711%0.112SC..Hα-helixtrans-58.4-34.3173.9-74.3-168.1-177.8-163.20112.8N116 R122 E276 E280N116-K120 WeakPolarHBondContact ND2-CE 3.45Å; N116-K120 WeakPolarHBondContact O-CG 3.33Å; N116-K120 PolarHBondContact O-N 2.92Å; K120-R122 PolarHBondContact O-N 3.21Å; K120-E276 WeakPolarHBondContact CD-OE2 3.4Å; K120-E276 WeakPolarHBondContact CE-OE2 3.47Å; K120-E276 IonicContact NZ-OE2 3.65Å; K120-E276 PolarHBondContact NZ-OE2 3.38Å; K120-E280 WeakPolarHBondContact CE-OE1 3.39Å; K120-E280 VanDerWaalsContact NZ-CD 3.33Å; K120-E280 IonicContact NZ-OE1 2.69Å; K120-E280 PolarHBondContact NZ-OE1 3.41Å; K120-E280 IonicContact NZ-OE2 2.68Å; K120-E280 PolarHBondContact NZ-OE2 2.87Å
121K90.7Very high92.8Very high90 Ų9030.6 Ų30.639%0.39113%0.13SC..THydrogen-bonded Turntrans-75.89.4172.6-73.7170.2-179.9-790114.1K56 M57 H117 I118 H119 V123K56-K121 WeakPolarHBondContact O-CE 3.31Å; K56-K121 PolarHBondContact O-NZ 3.45Å; M57-K121 HydrophobicContact CE-CB 4.2Å; M57-K121 HydrophobicContact CE-CD 4.04Å; M57-K121 HydrophobicContact SD-CD 3.47Å; M57-K121 WeakPolarHBondContact SD-CD 3.23Å; H117-K121 WeakPolarHBondContact NE2-CE 3.32Å; H117-K121 PolarHBondContact O-N 3.25Å; I118-K121 PolarHBondContact O-N 2.6Å; H119-K121 PolarHBondContact O-N 2.91Å; K121-V123 PolarHBondContact O-N 3.47Å
122R89.8Confident92.7Very high188 Ų18831 Ų3171%0.70913%0.132SC*.THydrogen-bonded Turntrans55.834-177.3-59.7-175.6176.8-173.3-2.9113.4H119 K120 L152H119-R122 WeakPolarHBondContact O-CA 3.06Å; H119-R122 PolarHBondContact O-N 3.26Å; K120-R122 PolarHBondContact O-N 3.21Å; R122-L152 HydrophobicContact CB-CB 4.43Å; R122-L152 HydrophobicContact CB-CD1 4.32Å; R122-L152 WeakPolarHBondContact O-CB 3.21Å; R122-L152 WeakPolarHBondContact O-CG 3.33Å; R122-L152 PolarHBondContact O-N 3Å
123V89.8Confident92.7Very high4 Ų431 Ų312%0.02413%0.132CC..EExtended strand (participates in β ladder)trans-108.2144174.61750000109.1L53 M57 I118 H119 K121 A149 R150 L151L53-V123 HydrophobicContact CD2-CG2 4.03Å; M57-V123 HydrophobicContact CE-CB 3.78Å; M57-V123 HydrophobicContact CE-CG1 4Å; M57-V123 HydrophobicContact CE-CG2 3.69Å; I118-V123 HydrophobicContact CG2-CB 3.9Å; I118-V123 HydrophobicContact CG2-CG1 3.84Å; I118-V123 WeakPolarHBondContact CG2-O 3.33Å; I118-V123 PolarHBondContact O-N 3.27Å; H119-V123 PolarHBondContact CD2-O 2.84Å; K121-V123 PolarHBondContact O-N 3.47Å; V123-A149 HydrophobicContact CG1-CB 4.2Å; V123-R150 WeakPolarHBondContact CA-O 3.12Å; V123-L151 HydrophobicContact CG2-CD1 3.89Å
124L90.4Very high92.9Very high9 Ų933.6 Ų33.65%0.04714%0.143CC..EExtended strand (participates in β ladder)trans-102.9135.3167.2-60.9172.8000108.7R126 A149 R150 L152 Y179 N180 N181L124-R126 HydrophobicContact CB-CG 3.53Å; L124-A149 VanDerWaalsContact O-CA 3.24Å; L124-A149 WeakPolarHBondContact O-CA 3.4Å; L124-A149 WeakPolarHBondContact O-CB 3.29Å; L124-R150 PolarHBondContact N-O 3.02Å; L124-R150 PolarHBondContact O-N 3.32Å; L124-L152 HydrophobicContact CD1-CD2 3.55Å; L124-L152 HydrophobicContact CD1-CG 4.43Å; L124-L152 HydrophobicContact CD2-CD2 4.37Å; L124-L152 HydrophobicContact CG-CD2 3.79Å; L124-L152 HydrophobicContact CG-CG 4.15Å; L124-Y179 HydrophobicContact CD1-CD1 4.08Å; L124-Y179 WeakPolarHBondContact CD1-O 3.49Å; L124-N180 VanDerWaalsContact CD2-C 3.42Å; L124-N181 HydrophobicContact CD2-CB 4.34Å
125H92Very high92.9Very high1 Ų133.9 Ų33.91%0.00515%0.145CC..  trans-79.2-41.9-179.4-170.3-25000111.5I118 D127 I128 G144 D145 D184I118-H125 HydrophobicContact CG2-CB 4.5Å; H125-D127 PolarHBondContact O-N 2.9Å; H125-I128 HydrophobicContact CB-CD1 4.05Å; H125-I128 HydrophobicContact CB-CG1 3.88Å; H125-G144 PolarHBondContact CE1-O 3.46Å; H125-G144 VanDerWaalsContact CE1-O 3.26Å; H125-G144 PolarHBondContact NE2-O 2.84Å; H125-D145 PolarHBondContact CE1-O 2.98Å; H125-D184 PolarHBondContact N-OD2 2.9Å
126R89.9Confident92.6Very high49 Ų4935 Ų3519%0.18515%0.151CC..  trans64.75169.1-50.1171.870.6-103.7-3.1115.8L124 S148 A159 Y179 D184L124-R126 HydrophobicContact CB-CG 3.53Å; R126-S148 WeakPolarHBondContact CD-O 3.16Å; R126-S148 PolarHBondContact NH1-O 3.47Å; R126-A159 VanDerWaalsContact NH2-CB 3.34Å; R126-Y179 HydrophobicContact CB-CE1 4.29Å; R126-Y179 HydrophobicContact CG-CD1 3.91Å; R126-Y179 HydrophobicContact CG-CE1 3.84Å; R126-Y179 HydrophobicContact CG-CG 4.47Å; R126-D184 PolarHBondContact N-OD1 2.93Å
127D88.6Confident92Very high33 Ų3342 Ų4218%0.17618%0.184CC..  trans-152.439.3-179.3-159.79.4000112.3H125 K129 N132H125-D127 PolarHBondContact O-N 2.9Å; D127-K129 PolarHBondContact O-N 3.35Å; D127-K129 WeakPolarHBondContact OD1-CD 3.27Å; D127-K129 IonicContact OD1-NZ 2.67Å; D127-K129 PolarHBondContact OD1-NZ 2.88Å; D127-K129 IonicContact OD2-NZ 2.71Å; D127-K129 PolarHBondContact OD2-NZ 3.27Å; D127-N132 PolarHBondContact O-ND2 2.85Å; D127-N132 PolarHBondContact OD2-ND2 3.26Å
128I94.4Very high91.5Very high1 Ų148 Ų481%0.00522%0.217CC..  trans-70.9109.4171.7-66.7173.6000108.2V115 H125 Y168 D184 S187 L188 I191V115-I128 HydrophobicContact CG2-CD1 3.76Å; H125-I128 HydrophobicContact CB-CD1 4.05Å; H125-I128 HydrophobicContact CB-CG1 3.88Å; I128-Y168 WeakPolarHBondContact O-CD1 3.45Å; I128-D184 HydrophobicContact CD1-CB 3.69Å; I128-S187 WeakPolarHBondContact O-CB 3.21Å; I128-L188 HydrophobicContact CG2-CB 4.24Å; I128-I191 HydrophobicContact CG2-CD1 3.54Å
129K93.6Very high90.8Very high44 Ų4449.5 Ų49.519%0.19123%0.233CC..  trans-150.715517962.2-174.4-177.5-116.70110.6D127 K131 N132 I133 Y168D127-K129 PolarHBondContact O-N 3.35Å; D127-K129 WeakPolarHBondContact OD1-CD 3.27Å; D127-K129 IonicContact OD1-NZ 2.67Å; D127-K129 PolarHBondContact OD1-NZ 2.88Å; D127-K129 IonicContact OD2-NZ 2.71Å; D127-K129 PolarHBondContact OD2-NZ 3.27Å; K129-K131 HydrophobicContact CG-CB 4.41Å; K129-K131 PolarHBondContact O-N 2.86Å; K129-N132 VanDerWaalsContact CE-CG 3.42Å; K129-N132 VanDerWaalsContact CE-ND2 3.35Å; K129-N132 WeakPolarHBondContact CE-ND2 3.44Å; K129-N132 WeakPolarHBondContact CE-OD1 3.49Å; K129-N132 HydrophobicContact CG-CB 4.02Å; K129-N132 PolarHBondContact NZ-ND2 3.21Å; K129-N132 VanDerWaalsContact NZ-ND2 3.14Å; K129-N132 PolarHBondContact O-N 2.88Å; K129-I133 PolarHBondContact O-N 3.43Å; K129-Y168 HydrophobicContact CB-CD1 3.98Å; K129-Y168 HydrophobicContact CB-CD2 3.75Å; K129-Y168 HydrophobicContact CB-CE1 3.85Å; K129-Y168 HydrophobicContact CB-CE2 3.61Å; K129-Y168 HydrophobicContact CB-CG 3.93Å
130S95.1Very high90.7Very high0 Ų052.9 Ų52.90%025%0.247CC..THydrogen-bonded Turntrans-59.5-19.1-175.559.70000114.9L87 M88 Y168 E194L87-S130 WeakPolarHBondContact CB-O 3.42Å; L87-S130 PolarHBondContact N-O 3.14Å; M88-S130 WeakPolarHBondContact CB-OG 3.44Å; M88-S130 PolarHBondContact N-O 3.05Å; S130-Y168 PolarHBondContact N-OH 3.13Å; S130-Y168 PolarHBondContact OG-OH 3.48Å; S130-E194 WeakPolarHBondContact CB-OE2 3.42Å; S130-E194 PolarHBondContact OG-OE1 3.22Å; S130-E194 PolarHBondContact OG-OE2 2.76Å
131K92.6Very high90.9Very high103 Ų10349.7 Ų49.745%0.44823%0.233SC..THydrogen-bonded Turntrans-75.3-27171.3-170.5-176175.6-169.10114D86 M88 K129D86-K131 WeakPolarHBondContact CB-O 3.01Å; M88-K131 HydrophobicContact CE-CB 4.19Å; K129-K131 HydrophobicContact CG-CB 4.41Å; K129-K131 PolarHBondContact O-N 2.86Å
132N94.2Very high91.1Very high8 Ų846.1 Ų46.14%0.04322%0.217CC..SBendtrans-98.33-176.6-71.910.2000112.7D127 K129 F134 G144 D145D127-N132 PolarHBondContact O-ND2 2.85Å; D127-N132 PolarHBondContact OD2-ND2 3.26Å; K129-N132 VanDerWaalsContact CE-CG 3.42Å; K129-N132 VanDerWaalsContact CE-ND2 3.35Å; K129-N132 WeakPolarHBondContact CE-ND2 3.44Å; K129-N132 WeakPolarHBondContact CE-OD1 3.49Å; K129-N132 HydrophobicContact CG-CB 4.02Å; K129-N132 PolarHBondContact NZ-ND2 3.21Å; K129-N132 VanDerWaalsContact NZ-ND2 3.14Å; K129-N132 PolarHBondContact O-N 2.88Å; N132-F134 WeakPolarHBondContact O-CE2 3.24Å; N132-G144 PolarHBondContact O-N 3.03Å; N132-G144 VanDerWaalsContact O-N 3.09Å; N132-D145 HydrophobicContact CB-CB 4.38Å; N132-D145 WeakPolarHBondContact ND2-CB 3.27Å; N132-D145 PolarHBondContact ND2-OD2 3.02Å
133I97.1Very high91.4Very high0 Ų037.2 Ų37.20%018%0.184CC..EExtended strand (participates in β ladder)trans-104.1113.2172.4-46-39.6000108.2D86 L87 M111 K129 V141 L143 I191D86-I133 CarbonylContact C-O 3.58Å; D86-I133 VanDerWaalsContact CA-O 3.32Å; D86-I133 WeakPolarHBondContact CA-O 3.45Å; L87-I133 HydrophobicContact CB-CB 4.43Å; L87-I133 HydrophobicContact CD1-CB 3.81Å; L87-I133 HydrophobicContact CD1-CG1 4.41Å; L87-I133 HydrophobicContact CD1-CG2 3.58Å; L87-I133 HydrophobicContact CG-CB 4.01Å; L87-I133 HydrophobicContact CG-CG2 3.95Å; L87-I133 PolarHBondContact N-O 3Å; M111-I133 HydrophobicContact CG-CG2 4.03Å; M111-I133 HydrophobicContact SD-CB 4.47Å; M111-I133 HydrophobicContact SD-CG1 4Å; M111-I133 HydrophobicContact SD-CG2 3.82Å; K129-I133 PolarHBondContact O-N 3.43Å; I133-V141 HydrophobicContact CG2-CG1 3.31Å; I133-L143 HydrophobicContact CD1-CD2 3.51Å; I133-L143 HydrophobicContact CG2-CD2 4.49Å; I133-I191 HydrophobicContact CD1-CD1 4.09Å; I133-I191 HydrophobicContact CG1-CD1 3.61Å
134F96.3Very high91.5Very high55 Ų5537.1 Ų37.124%0.24118%0.183CC..EExtended strand (participates in β ladder)trans-101.4157.1-177.2-53.3-82.2000111.7V63 C82 G85 D86 N132 V141 K142V63-F134 HydrophobicContact CG2-CD2 3.96Å; C82-F134 HydrophobicContact CB-CB 3.46Å; C82-F134 VanDerWaalsContact CB-CB 3.46Å; C82-F134 HydrophobicContact CB-CG 4.18Å; G85-F134 WeakPolarHBondContact O-CA 3.06Å; D86-F134 HydrophobicContact CB-CD1 4.01Å; D86-F134 HydrophobicContact CB-CE1 4.17Å; N132-F134 WeakPolarHBondContact O-CE2 3.24Å; F134-V141 CarbonylContact O-C 3.58Å; F134-V141 WeakPolarHBondContact O-CA 3.38Å; F134-K142 HydrophobicContact CB-CB 4.27Å; F134-K142 PolarHBondContact N-O 3.42Å; F134-K142 PolarHBondContact O-N 2.83Å
135L94.3Very high91.2Very high6 Ų638.7 Ų38.73%0.03119%0.192CC..EExtended strand (participates in β ladder)trans-117.2149.2171.6-63.1-178.1000110.6C82 G84 G85 L87 K90 W107 K140 V141C82-L135 CarbonylContact C-O 3.59Å; G84-L135 WeakPolarHBondContact CA-O 3.38Å; G84-L135 PolarHBondContact N-O 3.31Å; G85-L135 PolarHBondContact O-N 3.19Å; L87-L135 HydrophobicContact CD2-CD1 3.93Å; L87-L135 HydrophobicContact CD2-CD2 4.03Å; L87-L135 HydrophobicContact CD2-CG 3.98Å; K90-L135 HydrophobicContact CD-CD1 4.4Å; K90-L135 HydrophobicContact CG-CD1 3.71Å; W107-L135 HydrophobicContact CH2-CD1 4.01Å; W107-L135 HydrophobicContact CZ2-CD1 3.45Å; W107-L135 VanDerWaalsContact CZ2-CD1 3.45Å; W107-L135 HydrophobicContact CZ2-CD2 4.34Å; L135-K140 WeakPolarHBondContact CA-O 3.29Å; L135-V141 HydrophobicContact CD2-CB 4.38Å; L135-V141 HydrophobicContact CD2-CG2 3.8Å
136T90.6Very high90.6Very high24 Ų2438.7 Ų38.715%0.14719%0.192CC..  trans-90.5161.6158.565.70000110.6D83 N138 G139 K140D83-T136 WeakPolarHBondContact OD1-CA 3.43Å; T136-N138 PolarHBondContact O-N 3.49Å; T136-G139 PolarHBondContact O-N 3.05Å; T136-K140 PolarHBondContact N-O 3.5Å; T136-K140 PolarHBondContact OG1-N 2.75Å
137Q82.6Confident89.8Confident152 Ų15238.5 Ų38.571%0.7121%0.205SC*.THydrogen-bonded Turntrans-56.3-30.5171.3-78.5-177.266.400112.4D83 G139D83-Q137 HydrophobicContact CB-CG 4.43Å; D83-Q137 PolarHBondContact OD1-N 3.37Å; D83-Q137 VanDerWaalsContact OD2-CD 3.28Å; D83-Q137 VanDerWaalsContact OD2-CG 3.24Å; D83-Q137 WeakPolarHBondContact OD2-CG 3.33Å; D83-Q137 PolarHBondContact OD2-NE2 3.08Å; Q137-G139 PolarHBondContact O-N 3.09Å
138N81.3Confident89.1Confident148 Ų14838.6 Ų38.679%0.79121%0.209SC*.THydrogen-bonded Turntrans-78.313.4174.9-65.2-19.3000113.8T136 K140T136-N138 PolarHBondContact O-N 3.49Å; N138-K140 VanDerWaalsContact C-N 3.27Å; N138-K140 PolarHBondContact O-N 2.84Å
139G80.6Confident88.2Confident31 Ų3139 Ų3932%0.3221%0.212SC..  trans73.96.317300000116T136 Q137T136-G139 PolarHBondContact O-N 3.05Å; Q137-G139 PolarHBondContact O-N 3.09Å
140K90.2Very high87.3Confident98 Ų9841.5 Ų41.543%0.42622%0.22SC..  trans-75.4137.9175.3-60.7-169.7177.5-173.50110.4L135 T136 N138L135-K140 WeakPolarHBondContact CA-O 3.29Å; T136-K140 PolarHBondContact N-O 3.5Å; T136-K140 PolarHBondContact OG1-N 2.75Å; N138-K140 VanDerWaalsContact C-N 3.27Å; N138-K140 PolarHBondContact O-N 2.84Å
141V95Very high86.2Confident0 Ų045.8 Ų45.80%024%0.243CC..EExtended strand (participates in β ladder)trans-90.4142.3176.2-172.80000110.8N61 W107 Q110 M111 I133 F134 L135N61-V141 VanDerWaalsContact CA-O 3.28Å; N61-V141 WeakPolarHBondContact CA-O 3.06Å; N61-V141 WeakPolarHBondContact CB-O 3.45Å; N61-V141 PolarHBondContact ND2-O 2.8Å; W107-V141 HydrophobicContact CB-CG2 3.88Å; W107-V141 VanDerWaalsContact CD1-CG2 3.42Å; W107-V141 HydrophobicContact CG-CG2 3.84Å; Q110-V141 HydrophobicContact CB-CB 3.79Å; Q110-V141 HydrophobicContact CB-CG2 3.86Å; M111-V141 HydrophobicContact CG-CG1 3.73Å; I133-V141 HydrophobicContact CG2-CG1 3.31Å; F134-V141 CarbonylContact O-C 3.58Å; F134-V141 WeakPolarHBondContact O-CA 3.38Å; L135-V141 HydrophobicContact CD2-CB 4.38Å; L135-V141 HydrophobicContact CD2-CG2 3.8Å
142K95.6Very high84.7Confident15 Ų1545.6 Ų45.67%0.06525%0.246CC..EExtended strand (participates in β ladder)trans-136.3114.9-177.1-70.7-78.1-176.9165.20110.8P60 I62 V63 E80 F134P60-K142 WeakPolarHBondContact O-CD 3.48Å; P60-K142 WeakPolarHBondContact O-CE 3.41Å; P60-K142 PolarHBondContact O-NZ 3.09Å; I62-K142 WeakPolarHBondContact O-CD 3.28Å; I62-K142 PolarHBondContact O-NZ 2.87Å; I62-K142 VanDerWaalsContact O-NZ 3.07Å; V63-K142 HydrophobicContact CG2-CB 3.86Å; E80-K142 WeakPolarHBondContact OE1-CE 3.36Å; E80-K142 IonicContact OE1-NZ 2.92Å; E80-K142 PolarHBondContact OE1-NZ 3.14Å; E80-K142 VanDerWaalsContact OE2-CE 3.29Å; E80-K142 WeakPolarHBondContact OE2-CE 3.29Å; E80-K142 IonicContact OE2-NZ 2.67Å; E80-K142 PolarHBondContact OE2-NZ 3.41Å; F134-K142 HydrophobicContact CB-CB 4.27Å; F134-K142 PolarHBondContact N-O 3.42Å; F134-K142 PolarHBondContact O-N 2.83Å
143L96.1Very high82.5Confident1 Ų149.7 Ų49.71%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-74.8135.9169.2-51.8-178.3000110N61 I62 V63 M111 V115 I118 I133N61-L143 WeakPolarHBondContact O-CG 3.47Å; N61-L143 PolarHBondContact O-N 2.88Å; I62-L143 WeakPolarHBondContact CA-O 3.39Å; V63-L143 WeakPolarHBondContact CG2-O 3.44Å; V63-L143 PolarHBondContact N-O 3.36Å; M111-L143 HydrophobicContact CB-CD2 4.35Å; M111-L143 HydrophobicContact CG-CD2 4.2Å; V115-L143 HydrophobicContact CG2-CD1 3.79Å; I118-L143 HydrophobicContact CD1-CD1 3.84Å; I133-L143 HydrophobicContact CD1-CD2 3.51Å; I133-L143 HydrophobicContact CG2-CD2 4.49Å
144G91.6Very high79.8Confident1 Ų154.5 Ų54.51%0.0130%0.301CS..  trans-148.9-174.317900000114.2H125 N132H125-G144 PolarHBondContact CE1-O 3.46Å; H125-G144 VanDerWaalsContact CE1-O 3.26Å; H125-G144 PolarHBondContact NE2-O 2.84Å; N132-G144 PolarHBondContact O-N 3.03Å; N132-G144 VanDerWaalsContact O-N 3.09Å
145D83.6Confident77.1Confident42 Ų4256 Ų5623%0.22532%0.316CS..  trans6178.9-175.3-172.926.4000113.4K33 H125 N132 G147K33-D145 IonicContact NZ-OD1 3.67Å; K33-D145 PolarHBondContact NZ-OD1 3.26Å; H125-D145 PolarHBondContact CE1-O 2.98Å; N132-D145 HydrophobicContact CB-CB 4.38Å; N132-D145 WeakPolarHBondContact ND2-CB 3.27Å; N132-D145 PolarHBondContact ND2-OD2 3.02Å; D145-G147 VanDerWaalsContact C-N 3.28Å; D145-G147 PolarHBondContact O-N 3.31Å
146F80.1Confident74.4Confident1 Ų162 Ų620%0.00435%0.346CS..G310 helixtrans-88.711.2-178.2-79.4-111.5000112.6E50 L54 M57 I62 I118 S148 A149E50-F146 HydrophobicContact CG-CB 4.02Å; E50-F146 PolarHBondContact OE1-N 3.46Å; L54-F146 HydrophobicContact CD1-CD2 3.6Å; L54-F146 HydrophobicContact CD1-CE2 3.78Å; L54-F146 HydrophobicContact CD1-CG 4.18Å; L54-F146 HydrophobicContact CD1-CZ 4.48Å; M57-F146 HydrophobicContact CE-CE1 4.22Å; M57-F146 HydrophobicContact CG-CE1 3.77Å; M57-F146 HydrophobicContact CG-CZ 4.08Å; M57-F146 HydrophobicContact SD-CE1 4.46Å; I62-F146 HydrophobicContact CD1-CZ 4.48Å; I62-F146 HydrophobicContact CG2-CE2 3.78Å; I62-F146 HydrophobicContact CG2-CZ 3.8Å; I118-F146 HydrophobicContact CD1-CE1 3.99Å; I118-F146 HydrophobicContact CD1-CZ 3.65Å; I118-F146 HydrophobicContact CG1-CE1 4.13Å; I118-F146 HydrophobicContact CG1-CZ 4.08Å; F146-S148 PolarHBondContact O-N 3.15Å; F146-A149 HydrophobicContact CB-CB 4.11Å; F146-A149 HydrophobicContact CD1-CB 3.85Å; F146-A149 HydrophobicContact CG-CB 4.35Å; F146-A149 VanDerWaalsContact O-CB 3.28Å; F146-A149 WeakPolarHBondContact O-CB 3.43Å; F146-A149 PolarHBondContact O-N 2.88Å
147G73.1Confident72Confident45 Ų4563.2 Ų63.246%0.46436%0.358SS..G310 helixtrans-60.4-28-178.300000114.3E50 D145E50-G147 PolarHBondContact OE1-N 2.78Å; E50-G147 VanDerWaalsContact OE2-CA 3.29Å; E50-G147 WeakPolarHBondContact OE2-CA 3.5Å; E50-G147 PolarHBondContact OE2-N 3.39Å; D145-G147 VanDerWaalsContact C-N 3.28Å; D145-G147 PolarHBondContact O-N 3.31Å
148S73Confident69.8Low36 Ų3661 Ų6125%0.25235%0.346SS..G310 helixtrans-92.6-9.8175.3-650000114R126 F146R126-S148 WeakPolarHBondContact CD-O 3.16Å; R126-S148 PolarHBondContact NH1-O 3.47Å; F146-S148 PolarHBondContact O-N 3.15Å
149A75.3Confident67.7Low9 Ų956.4 Ų56.47%0.07433%0.328CS..  trans-70.1146.9-171.600000111.8L53 V123 L124 F146L53-A149 HydrophobicContact CD1-CB 3.97Å; V123-A149 HydrophobicContact CG1-CB 4.2Å; L124-A149 VanDerWaalsContact O-CA 3.24Å; L124-A149 WeakPolarHBondContact O-CA 3.4Å; L124-A149 WeakPolarHBondContact O-CB 3.29Å; F146-A149 HydrophobicContact CB-CB 4.11Å; F146-A149 HydrophobicContact CD1-CB 3.85Å; F146-A149 HydrophobicContact CG-CB 4.35Å; F146-A149 VanDerWaalsContact O-CB 3.28Å; F146-A149 WeakPolarHBondContact O-CB 3.43Å; F146-A149 PolarHBondContact O-N 2.88Å
150R75.6Confident65.6Low96 Ų9660.4 Ų60.436%0.36235%0.351SS..EExtended strand (participates in β ladder)trans-138.4136.5178.8-67.4-175176.7172.2-3.1110.7V123 L124 A157 F158V123-R150 WeakPolarHBondContact CA-O 3.12Å; L124-R150 PolarHBondContact N-O 3.02Å; L124-R150 PolarHBondContact O-N 3.32Å; R150-A157 PolarHBondContact NH1-O 3.14Å; R150-F158 PolarHBondContact NH1-O 3.16Å
151L71.8Confident63.1Low91 Ų9161.7 Ų61.748%0.47637%0.367SS..EExtended strand (participates in β ladder)trans-66.4141.2163.4-172.869.4000108.9V123 S153V123-L151 HydrophobicContact CG2-CD1 3.89Å; L151-S153 WeakPolarHBondContact CD2-OG 3.24Å; L151-S153 PolarHBondContact O-N 3.4Å
152L60.9Low60.5Low98 Ų9866.8 Ų66.851%0.51339%0.387SS..SBendtrans-71.878.9173.8-70.6169.2000110.3R122 L124R122-L152 HydrophobicContact CB-CB 4.43Å; R122-L152 HydrophobicContact CB-CD1 4.32Å; R122-L152 WeakPolarHBondContact O-CB 3.21Å; R122-L152 WeakPolarHBondContact O-CG 3.33Å; R122-L152 PolarHBondContact O-N 3Å; L124-L152 HydrophobicContact CD1-CD2 3.55Å; L124-L152 HydrophobicContact CD1-CG 4.43Å; L124-L152 HydrophobicContact CD2-CD2 4.37Å; L124-L152 HydrophobicContact CG-CD2 3.79Å; L124-L152 HydrophobicContact CG-CG 4.15Å
153S48.1Very low57.6Low95 Ų9571.9 Ų71.966%0.66442%0.419SS*.SBendtrans-112.6-14.4178.6-51.20000113.8L151L151-S153 WeakPolarHBondContact CD2-OG 3.24Å; L151-S153 PolarHBondContact O-N 3.4Å
154N39.9Very low55.5Low101 Ų10173.9 Ų73.954%0.5444%0.44SS..  trans-160122.6176.9-174.3-34.6000109.4M156N154-M156 VanDerWaalsContact C-N 3.27Å; N154-M156 PolarHBondContact O-N 2.91Å; N154-M156 PolarHBondContact OD1-N 3.49Å
155P39.5Very low53.8Low85 Ų8577.5 Ų77.555%0.55246%0.462SS*.THydrogen-bonded Turntrans-62.5-29178.7-23.634.4000114.6A157 P463P155-A157 VanDerWaalsContact C-N 3.28Å; P155-A157 PolarHBondContact O-N 2.98Å; P155-P463 HydrophobicContact CG-CG 4.22Å
156M38.5Very low53.5Low133 Ų13376 Ų7666%0.65545%0.454SS*.THydrogen-bonded Turntrans-90.317.9-172.5-63.8-64.2-77.700113.3N154 F158N154-M156 VanDerWaalsContact C-N 3.27Å; N154-M156 PolarHBondContact O-N 2.91Å; N154-M156 PolarHBondContact OD1-N 3.49Å; M156-F158 HydrophobicContact CE-CE2 3.95Å; M156-F158 PolarHBondContact O-N 3.26Å
157A39.5Very low53.8Low49 Ų4978.7 Ų78.741%0.40547%0.465SS..  trans-74.66917700000111.7R150 P155R150-A157 PolarHBondContact NH1-O 3.14Å; P155-A157 VanDerWaalsContact C-N 3.28Å; P155-A157 PolarHBondContact O-N 2.98Å
158F37.3Very low54.6Low107 Ų10777.2 Ų77.247%0.46945%0.445SS..  trans-49.6158173.7-86.8-90.8000112.6R150 M156R150-F158 PolarHBondContact NH1-O 3.16Å; M156-F158 HydrophobicContact CE-CE2 3.95Å; M156-F158 PolarHBondContact O-N 3.26Å
159A37.4Very low55.4Low50 Ų5076.3 Ų76.341%0.41344%0.438SS..  trans-139.273.3170.400000109.5R126 T161R126-A159 VanDerWaalsContact NH2-CB 3.34Å; A159-T161 PolarHBondContact O-N 3.03Å
160C36.3Very low56.2Low116 Ų11675.9 Ų75.978%0.78444%0.435SS*.  trans-72.419.1178.8-52.90000113.7
161T36.9Very low57.1Low125 Ų12571.4 Ų71.477%0.76742%0.418SS*.  trans-130.288.2-176.935.90000109.5A159A159-T161 PolarHBondContact O-N 3.03Å
162Y40.2Very low58Low106 Ų10667.2 Ų67.242%0.41640%0.396SS..  trans-97.4120.1175.3-172.3-104.7000111.2G164 T165 P166 V169 W207Y162-G164 VanDerWaalsContact CE1-C 3.44Å; Y162-G164 WeakPolarHBondContact CE1-O 3.39Å; Y162-T165 PolarHBondContact OH-N 3.24Å; Y162-T165 VanDerWaalsContact OH-N 3.14Å; Y162-T165 PolarHBondContact OH-O 3.32Å; Y162-P166 HydrophobicContact CE1-CB 4.13Å; Y162-P166 WeakPolarHBondContact OH-CA 3.46Å; Y162-V169 HydrophobicContact CD2-CG2 4.44Å; Y162-V169 HydrophobicContact CE2-CG2 3.9Å; Y162-W207 HydrophobicContact CD1-CH2 4.19Å; Y162-W207 HydrophobicContact CD1-CZ3 4.38Å; Y162-W207 HydrophobicContact CE1-CH2 4.21Å
163V36Very low59.3Low122 Ų12265.2 Ų65.274%0.73939%0.386SS*.  trans-127.694.6173.4-177.30000107.6
164G50.4Low61Low44 Ų4463.9 Ų63.945%0.45437%0.366SS..SBendtrans175-170-173.500000114.3Y162Y162-G164 VanDerWaalsContact CE1-C 3.44Å; Y162-G164 WeakPolarHBondContact CE1-O 3.39Å
165T56.9Low63Low77 Ų7762.4 Ų62.447%0.47236%0.356SS..  trans-99.9108.8-179.9-380000110.1Y162 Y167Y162-T165 PolarHBondContact OH-N 3.24Å; Y162-T165 VanDerWaalsContact OH-N 3.14Å; Y162-T165 PolarHBondContact OH-O 3.32Å; T165-Y167 HydrophobicContact CG2-CD2 3.47Å; T165-Y167 VanDerWaalsContact CG2-CD2 3.47Å; T165-Y167 HydrophobicContact CG2-CE2 3.35Å; T165-Y167 PolarHBondContact O-N 3.37Å
166P75.8Confident65Low10 Ų1064.3 Ų64.37%0.06536%0.361CS..G310 helixtrans-67.81.3-157.425.6-37.7000117.5Y162 Y168 V169 W174 W207 L210Y162-P166 HydrophobicContact CE1-CB 4.13Å; Y162-P166 WeakPolarHBondContact OH-CA 3.46Å; P166-Y168 PolarHBondContact O-N 3.36Å; P166-V169 PolarHBondContact O-N 2.96Å; P166-W174 HydrophobicContact CB-CH2 4.44Å; P166-W174 HydrophobicContact CB-CZ2 4.21Å; P166-W207 HydrophobicContact CB-CE3 4.16Å; P166-W207 HydrophobicContact CB-CH2 3.82Å; P166-W207 HydrophobicContact CB-CZ3 3.5Å; P166-W207 VanDerWaalsContact CB-CZ3 3.5Å; P166-W207 HydrophobicContact CG-CD2 4.47Å; P166-W207 HydrophobicContact CG-CE3 4.03Å; P166-W207 HydrophobicContact CG-CH2 3.54Å; P166-W207 HydrophobicContact CG-CZ2 3.99Å; P166-W207 HydrophobicContact CG-CZ3 3.57Å; P166-L210 HydrophobicContact CB-CD2 3.88Å; P166-L210 HydrophobicContact CG-CD2 3.49Å; P166-L210 VanDerWaalsContact CG-CD2 3.49Å
167Y86.4Confident67.3Low58 Ų5862.5 Ų62.523%0.22735%0.354CS..G310 helixtrans-69-6-170.1-52.8-53.3000115.6T165 C190 H200 F202 L210T165-Y167 HydrophobicContact CG2-CD2 3.47Å; T165-Y167 VanDerWaalsContact CG2-CD2 3.47Å; T165-Y167 HydrophobicContact CG2-CE2 3.35Å; T165-Y167 PolarHBondContact O-N 3.37Å; Y167-C190 PolarHBondContact O-SG 2.68Å; Y167-H200 HydrophobicContact CD1-CB 4.36Å; Y167-H200 HydrophobicContact CD2-CB 4.24Å; Y167-H200 AromaticContact CD2-CD2 3.03Å; Y167-H200 WeakPolarHBondContact CD2-CD2 3.32Å; Y167-H200 AromaticContact CD2-CE1 3.93Å; Y167-H200 AromaticContact CD2-CG 3.53Å; Y167-H200 AromaticContact CD2-NE2 3.34Å; Y167-H200 VanDerWaalsContact CD2-NE2 3.34Å; Y167-H200 WeakPolarHBondContact CD2-NE2 3.33Å; Y167-H200 AromaticContact CE2-CD2 3.37Å; Y167-H200 WeakPolarHBondContact CE2-CD2 3.39Å; Y167-H200 AromaticContact CE2-NE2 3.73Å; Y167-H200 HydrophobicContact CG-CB 3.91Å; Y167-H200 AromaticContact CG-CD2 3.63Å; Y167-H200 AromaticContact CG-CG 3.67Å; Y167-F202 WeakPolarHBondContact CD1-O 3.49Å; Y167-L210 HydrophobicContact CD1-CD1 4.09Å; Y167-L210 HydrophobicContact CD1-CD2 3.91Å; Y167-L210 HydrophobicContact CE1-CD1 4.27Å; Y167-L210 HydrophobicContact CE1-CD2 3.93Å
168Y91.6Very high69.4Low13 Ų1363.7 Ų63.75%0.05136%0.357CS..G310 helixtrans-107.1-6.9179.5-55-87.4000113.6I128 K129 S130 P166 S187 C190 I191 E194I128-Y168 WeakPolarHBondContact O-CD1 3.45Å; K129-Y168 HydrophobicContact CB-CD1 3.98Å; K129-Y168 HydrophobicContact CB-CD2 3.75Å; K129-Y168 HydrophobicContact CB-CE1 3.85Å; K129-Y168 HydrophobicContact CB-CE2 3.61Å; K129-Y168 HydrophobicContact CB-CG 3.93Å; S130-Y168 PolarHBondContact N-OH 3.13Å; S130-Y168 PolarHBondContact OG-OH 3.48Å; P166-Y168 PolarHBondContact O-N 3.36Å; Y168-S187 PolarHBondContact O-OG 3.17Å; Y168-C190 HydrophobicContact CD1-CB 3.65Å; Y168-C190 HydrophobicContact CE1-CB 4Å; Y168-I191 HydrophobicContact CD1-CG1 4.46Å; Y168-I191 HydrophobicContact CE1-CG1 3.95Å; Y168-E194 VanDerWaalsContact CE1-OE2 3.29Å; Y168-E194 WeakPolarHBondContact CE1-OE2 3.28Å; Y168-E194 VanDerWaalsContact OH-CD 3.29Å; Y168-E194 PolarHBondContact OH-OE1 2.7Å; Y168-E194 VanDerWaalsContact OH-OE1 3.07Å; Y168-E194 PolarHBondContact OH-OE2 3.39Å
169V89.8Confident71.7Confident17 Ų1760.6 Ų60.610%0.10334%0.343CS..  trans-78.7122.7-174.1-1760000109.8Y162 P166 I173 W174Y162-V169 HydrophobicContact CD2-CG2 4.44Å; Y162-V169 HydrophobicContact CE2-CG2 3.9Å; P166-V169 PolarHBondContact O-N 2.96Å; V169-I173 HydrophobicContact CG1-CB 3.82Å; V169-I173 HydrophobicContact CG1-CG1 4.45Å; V169-I173 HydrophobicContact CG1-CG2 3.84Å; V169-W174 HydrophobicContact CB-CZ2 3.65Å; V169-W174 HydrophobicContact CG1-CD2 4.24Å; V169-W174 HydrophobicContact CG1-CH2 4.46Å; V169-W174 HydrophobicContact CG1-CZ2 3.67Å; V169-W174 HydrophobicContact CG2-CZ2 4.08Å; V169-W174 PolarHBondContact O-NE1 3.02Å
170P92.1Very high74.2Confident1 Ų160.3 Ų60.31%0.00633%0.334CS..  trans-83.2160.5-173.536.8-37.9000112.4E172 I173 Y179 W186P170-E172 VanDerWaalsContact C-N 3.28Å; P170-E172 WeakPolarHBondContact CB-OE1 3.34Å; P170-E172 WeakPolarHBondContact CB-OE2 3.23Å; P170-E172 HydrophobicContact CG-CG 4.26Å; P170-E172 WeakPolarHBondContact CG-OE1 3.44Å; P170-E172 PolarHBondContact O-N 3.39Å; P170-I173 HydrophobicContact CG-CG1 3.88Å; P170-I173 PolarHBondContact O-N 3.4Å; P170-I173 VanDerWaalsContact O-N 3.12Å; P170-Y179 HydrophobicContact CG-CE2 4.47Å; P170-W186 HydrophobicContact CB-CB 3.77Å; P170-W186 HydrophobicContact CB-CD2 3.91Å; P170-W186 HydrophobicContact CB-CG 3.47Å; P170-W186 VanDerWaalsContact CB-CG 3.47Å
171P92.9Very high76.9Confident1 Ų156.9 Ų56.91%0.00631%0.308CS..Hα-helixtrans-58.9-34.6-170.322.6-34.6000114I173 W174 E175 W186 V214P171-I173 PolarHBondContact O-N 3.32Å; P171-W174 PolarHBondContact O-N 3.22Å; P171-W174 VanDerWaalsContact O-N 3.15Å; P171-E175 WeakPolarHBondContact O-CG 3.34Å; P171-E175 PolarHBondContact O-N 3.47Å; P171-W186 HydrophobicContact CG-CE3 4.31Å; P171-W186 HydrophobicContact CG-CH2 3.96Å; P171-W186 HydrophobicContact CG-CZ2 4.48Å; P171-W186 HydrophobicContact CG-CZ3 3.86Å; P171-V214 HydrophobicContact CB-CG1 4.18Å
172E90.9Very high79.7Confident4 Ų451.6 Ų51.62%0.01928%0.275CS..Hα-helixtrans-58.4-33.8178.662.6-90-154.100112.9P170 E175 N176 L177 S183 P242 R245P170-E172 VanDerWaalsContact C-N 3.28Å; P170-E172 WeakPolarHBondContact CB-OE1 3.34Å; P170-E172 WeakPolarHBondContact CB-OE2 3.23Å; P170-E172 HydrophobicContact CG-CG 4.26Å; P170-E172 WeakPolarHBondContact CG-OE1 3.44Å; P170-E172 PolarHBondContact O-N 3.39Å; E172-E175 CarbonylContact O-C 3.59Å; E172-E175 PolarHBondContact O-N 3.01Å; E172-N176 PolarHBondContact O-N 3.34Å; E172-L177 HydrophobicContact CB-CB 3.93Å; E172-L177 HydrophobicContact CB-CD1 4.22Å; E172-L177 WeakPolarHBondContact O-CB 3.37Å; E172-L177 PolarHBondContact O-N 2.8Å; E172-S183 WeakPolarHBondContact OE1-CA 3.47Å; E172-S183 VanDerWaalsContact OE1-CB 3.27Å; E172-S183 WeakPolarHBondContact OE1-CB 3.5Å; E172-S183 PolarHBondContact OE1-OG 3.46Å; E172-P242 HydrophobicContact CB-CG 4.01Å; E172-P242 HydrophobicContact CG-CG 4.02Å; E172-R245 IonicContact OE1-CZ 3.75Å; E172-R245 IonicContact OE1-NH1 3.48Å; E172-R245 PolarHBondContact OE1-NH1 2.98Å; E172-R245 IonicContact OE1-NH2 2.71Å; E172-R245 IonicContact OE2-CZ 2.68Å; E172-R245 IonicContact OE2-NH1 2.73Å; E172-R245 PolarHBondContact OE2-NH1 3.19Å; E172-R245 IonicContact OE2-NH2 2.7Å; E172-R245 PolarHBondContact OE2-NH2 3.02Å
173I87.8Confident82.3Confident56 Ų5646.5 Ų46.529%0.28726%0.255SS..Hα-helixtrans-74.5-34.6179.6-56.9-57.7000111.6V169 P170 P171 E175 N176 Y179V169-I173 HydrophobicContact CG1-CB 3.82Å; V169-I173 HydrophobicContact CG1-CG1 4.45Å; V169-I173 HydrophobicContact CG1-CG2 3.84Å; P170-I173 HydrophobicContact CG-CG1 3.88Å; P170-I173 PolarHBondContact O-N 3.4Å; P170-I173 VanDerWaalsContact O-N 3.12Å; P171-I173 PolarHBondContact O-N 3.32Å; I173-E175 PolarHBondContact O-N 3.06Å; I173-N176 PolarHBondContact O-N 3.21Å; I173-Y179 HydrophobicContact CD1-CD2 3.65Å; I173-Y179 HydrophobicContact CD1-CG 4.13Å; I173-Y179 HydrophobicContact CG1-CD2 3.91Å
174W84.3Confident85.2Confident66 Ų6640.7 Ų40.725%0.2522%0.22CC..Hα-helixtrans-70.5-14.5172.3-59.3115.4000113P166 V169 P171 W207 I211P166-W174 HydrophobicContact CB-CH2 4.44Å; P166-W174 HydrophobicContact CB-CZ2 4.21Å; V169-W174 HydrophobicContact CB-CZ2 3.65Å; V169-W174 HydrophobicContact CG1-CD2 4.24Å; V169-W174 HydrophobicContact CG1-CH2 4.46Å; V169-W174 HydrophobicContact CG1-CZ2 3.67Å; V169-W174 HydrophobicContact CG2-CZ2 4.08Å; V169-W174 PolarHBondContact O-NE1 3.02Å; P171-W174 PolarHBondContact O-N 3.22Å; P171-W174 VanDerWaalsContact O-N 3.15Å; W174-W207 HydrophobicContact CH2-CE3 4.25Å; W174-W207 HydrophobicContact CH2-CZ3 4.09Å; W174-I211 HydrophobicContact CB-CG2 3.87Å; W174-I211 HydrophobicContact CD2-CD1 4.23Å; W174-I211 HydrophobicContact CD2-CG1 3.73Å; W174-I211 HydrophobicContact CD2-CG2 4.19Å; W174-I211 HydrophobicContact CE3-CD1 3.63Å; W174-I211 HydrophobicContact CE3-CG1 3.67Å; W174-I211 HydrophobicContact CE3-CG2 4.43Å; W174-I211 HydrophobicContact CG-CG1 4.34Å; W174-I211 HydrophobicContact CG-CG2 3.95Å; W174-I211 HydrophobicContact CH2-CD1 4.29Å; W174-I211 HydrophobicContact CH2-CG1 4.17Å; W174-I211 HydrophobicContact CZ2-CG1 4.21Å; W174-I211 HydrophobicContact CZ3-CD1 3.67Å; W174-I211 HydrophobicContact CZ3-CG1 3.9Å
175E83.6Confident87.5Confident70 Ų7038.7 Ų38.733%0.32720%0.198SC..THydrogen-bonded Turntrans-107.513.1-179.6-67.8168.6-156.500112.2P171 E172 I173 L177 C215 R240P171-E175 WeakPolarHBondContact O-CG 3.34Å; P171-E175 PolarHBondContact O-N 3.47Å; E172-E175 CarbonylContact O-C 3.59Å; E172-E175 PolarHBondContact O-N 3.01Å; I173-E175 PolarHBondContact O-N 3.06Å; E175-L177 PolarHBondContact O-N 3.01Å; E175-C215 PolarHBondContact OE1-SG 2.73Å; E175-R240 IonicContact OE1-CZ 2.68Å; E175-R240 VanDerWaalsContact OE1-CZ 3.31Å; E175-R240 IonicContact OE1-NH1 3.87Å; E175-R240 PolarHBondContact OE1-NH1 3.29Å; E175-R240 IonicContact OE1-NH2 2.86Å; E175-R240 PolarHBondContact OE1-NH2 3.37Å; E175-R240 IonicContact OE2-CZ 3.07Å; E175-R240 IonicContact OE2-NH1 3.94Å; E175-R240 IonicContact OE2-NH2 2.67Å; E175-R240 PolarHBondContact OE2-NH2 2.98Å
176N80.8Confident89.4Confident126 Ų12635 Ų3567%0.67418%0.176SC*.THydrogen-bonded Turntrans59.324.4179.2-57.9-61.3000115.2E172 I173E172-N176 PolarHBondContact O-N 3.34Å; I173-N176 PolarHBondContact O-N 3.21Å
177L85.8Confident90.4Very high94 Ų9434.8 Ų34.849%0.49217%0.174SC..PPolyproline II helixtrans-87.7156.7172.5-61175000110.7E172 E175E172-L177 HydrophobicContact CB-CB 3.93Å; E172-L177 HydrophobicContact CB-CD1 4.22Å; E172-L177 WeakPolarHBondContact O-CB 3.37Å; E172-L177 PolarHBondContact O-N 2.8Å; E175-L177 PolarHBondContact O-N 3.01Å
178P83.2Confident90.9Very high74 Ų7432 Ų3248%0.48116%0.164SC..PPolyproline II helixtrans-71.6141.3-175.127.8-35.3000113.8N180P178-N180 PolarHBondContact O-ND2 2.84Å
179Y86.6Confident91.2Very high43 Ų4331.4 Ų31.417%0.16916%0.161CC..PPolyproline II helixtrans-67.4131.9172.4-159.5-73.3000110.4L124 R126 P170 I173 S183 D184L124-Y179 HydrophobicContact CD1-CD1 4.08Å; L124-Y179 WeakPolarHBondContact CD1-O 3.49Å; R126-Y179 HydrophobicContact CB-CE1 4.29Å; R126-Y179 HydrophobicContact CG-CD1 3.91Å; R126-Y179 HydrophobicContact CG-CE1 3.84Å; R126-Y179 HydrophobicContact CG-CG 4.47Å; P170-Y179 HydrophobicContact CG-CE2 4.47Å; I173-Y179 HydrophobicContact CD1-CD2 3.65Å; I173-Y179 HydrophobicContact CD1-CG 4.13Å; I173-Y179 HydrophobicContact CG1-CD2 3.91Å; Y179-S183 VanDerWaalsContact CE1-CB 3.44Å; Y179-D184 WeakPolarHBondContact OH-CA 3.03Å; Y179-D184 PolarHBondContact OH-N 3.46Å; Y179-D184 PolarHBondContact OH-OD1 3.25Å; Y179-D184 VanDerWaalsContact OH-OD1 3.13Å
180N89.6Confident91.6Very high44 Ų4430.6 Ų30.624%0.23516%0.156CC..  trans-135.7-176.6-176.45867.1000111.9L124 P178 K182 S183 D184L124-N180 VanDerWaalsContact CD2-C 3.42Å; P178-N180 PolarHBondContact O-ND2 2.84Å; N180-K182 PolarHBondContact O-N 3.49Å; N180-K182 WeakPolarHBondContact OD1-CA 3.17Å; N180-K182 VanDerWaalsContact OD1-CB 3.28Å; N180-K182 WeakPolarHBondContact OD1-CB 3.32Å; N180-K182 PolarHBondContact OD1-N 3.06Å; N180-S183 PolarHBondContact N-OG 3.44Å; N180-S183 PolarHBondContact ND2-OG 3.15Å; N180-S183 WeakPolarHBondContact O-CB 3.45Å; N180-S183 PolarHBondContact O-N 2.71Å; N180-S183 PolarHBondContact OD1-N 2.72Å; N180-S183 PolarHBondContact OD1-OG 3.39Å; N180-D184 PolarHBondContact O-N 2.84Å
181N93Very high91.9Very high44 Ų4430.6 Ų30.624%0.23516%0.156CC..Hα-helixtrans-60.7-41.5177.957.7-14.5000112.1H119 L124 S183 D184 I185H119-N181 PolarHBondContact CE1-O 2.85Å; H119-N181 VanDerWaalsContact CE1-O 3.28Å; L124-N181 HydrophobicContact CD2-CB 4.34Å; N181-S183 PolarHBondContact O-N 2.83Å; N181-D184 WeakPolarHBondContact O-CB 3.16Å; N181-D184 PolarHBondContact O-N 2.91Å; N181-I185 PolarHBondContact O-N 3.4Å
182K96.3Very high92.2Very high13 Ų1330.5 Ų30.56%0.05716%0.156CC..Hα-helixtrans-66.8-15174.7-45.5-68.3-171.6104.60112.6N180 W186 P242 S243 R245 D469N180-K182 PolarHBondContact O-N 3.49Å; N180-K182 WeakPolarHBondContact OD1-CA 3.17Å; N180-K182 VanDerWaalsContact OD1-CB 3.28Å; N180-K182 WeakPolarHBondContact OD1-CB 3.32Å; N180-K182 PolarHBondContact OD1-N 3.06Å; K182-W186 PolarHBondContact O-N 3.13Å; K182-P242 HydrophobicContact CB-CB 3.96Å; K182-P242 WeakPolarHBondContact CB-O 3.45Å; K182-P242 VanDerWaalsContact CG-O 3.28Å; K182-P242 WeakPolarHBondContact CG-O 3.41Å; K182-S243 PolarHBondContact NZ-O 3.46Å; K182-R245 HydrophobicContact CB-CB 4.34Å; K182-R245 WeakPolarHBondContact CD-O 3.42Å; K182-R245 PolarHBondContact NZ-O 3.37Å; K182-R245 VanDerWaalsContact O-CD 3.3Å; K182-R245 WeakPolarHBondContact O-CD 3.39Å; K182-R245 PolarHBondContact O-NH1 3.16Å; K182-D469 IonicContact NZ-OD1 3.31Å; K182-D469 PolarHBondContact NZ-OD1 3.3Å; K182-D469 IonicContact NZ-OD2 3.28Å; K182-D469 PolarHBondContact NZ-OD2 3.25Å
183S95Very high92.5Very high0 Ų031 Ų310%016%0.157CC..Hα-helixtrans-74-42.5169.6-54.40000112.5E172 Y179 N180 N181 I185 W186 S187E172-S183 WeakPolarHBondContact OE1-CA 3.47Å; E172-S183 VanDerWaalsContact OE1-CB 3.27Å; E172-S183 WeakPolarHBondContact OE1-CB 3.5Å; E172-S183 PolarHBondContact OE1-OG 3.46Å; Y179-S183 VanDerWaalsContact CE1-CB 3.44Å; N180-S183 PolarHBondContact N-OG 3.44Å; N180-S183 PolarHBondContact ND2-OG 3.15Å; N180-S183 WeakPolarHBondContact O-CB 3.45Å; N180-S183 PolarHBondContact O-N 2.71Å; N180-S183 PolarHBondContact OD1-N 2.72Å; N180-S183 PolarHBondContact OD1-OG 3.39Å; N181-S183 PolarHBondContact O-N 2.83Å; S183-I185 PolarHBondContact O-N 3.1Å; S183-W186 PolarHBondContact O-N 3.24Å; S183-S187 PolarHBondContact O-N 2.82Å; S183-S187 PolarHBondContact O-OG 2.87Å
184D96.3Very high93Very high0 Ų028.5 Ų28.50%014%0.144CC..Hα-helixtrans-59.8-36.2171.5-86.6-35.9000110.6H119 H125 R126 I128 Y179 N180 N181 S187 L188H119-D184 IonicContact CD2-OD2 3.91Å; H119-D184 IonicContact CE1-OD2 2.72Å; H119-D184 WeakPolarHBondContact NE2-CB 3.11Å; H119-D184 IonicContact NE2-OD2 3.73Å; H119-D184 PolarHBondContact NE2-OD2 3.22Å; H125-D184 PolarHBondContact N-OD2 2.9Å; R126-D184 PolarHBondContact N-OD1 2.93Å; I128-D184 HydrophobicContact CD1-CB 3.69Å; Y179-D184 WeakPolarHBondContact OH-CA 3.03Å; Y179-D184 PolarHBondContact OH-N 3.46Å; Y179-D184 PolarHBondContact OH-OD1 3.25Å; Y179-D184 VanDerWaalsContact OH-OD1 3.13Å; N180-D184 PolarHBondContact O-N 2.84Å; N181-D184 WeakPolarHBondContact O-CB 3.16Å; N181-D184 PolarHBondContact O-N 2.91Å; D184-S187 PolarHBondContact O-N 3.19Å; D184-L188 PolarHBondContact O-N 3.33Å
185I98.1Very high93.7Very high1 Ų125.3 Ų25.31%0.00513%0.133CC..Hα-helixtrans-62.7-40.5176-59.2-62000112.3V115 N181 S183 L188 G189 M237 R245 A248 L251V115-I185 HydrophobicContact CG1-CD1 4.46Å; N181-I185 PolarHBondContact O-N 3.4Å; S183-I185 PolarHBondContact O-N 3.1Å; I185-L188 PolarHBondContact O-N 3.42Å; I185-G189 PolarHBondContact O-N 2.69Å; I185-M237 HydrophobicContact CG2-CB 4.47Å; I185-M237 HydrophobicContact CG2-CE 3.93Å; I185-M237 HydrophobicContact CG2-CG 4.23Å; I185-M237 WeakPolarHBondContact O-CE 3.22Å; I185-R245 HydrophobicContact CG2-CB 4.49Å; I185-A248 HydrophobicContact CD1-CB 4.12Å; I185-L251 HydrophobicContact CD1-CD1 4.07Å; I185-L251 HydrophobicContact CG2-CD1 4.27Å
186W97.4Very high94.4Very high1 Ų122 Ų220%0.00412%0.117CC..Hα-helixtrans-62.5-45174.8173.9-73.6000111.2P170 P171 K182 S183 L188 G189 C190 F202 V214 F238P170-W186 HydrophobicContact CB-CB 3.77Å; P170-W186 HydrophobicContact CB-CD2 3.91Å; P170-W186 HydrophobicContact CB-CG 3.47Å; P170-W186 VanDerWaalsContact CB-CG 3.47Å; P171-W186 HydrophobicContact CG-CE3 4.31Å; P171-W186 HydrophobicContact CG-CH2 3.96Å; P171-W186 HydrophobicContact CG-CZ2 4.48Å; P171-W186 HydrophobicContact CG-CZ3 3.86Å; K182-W186 PolarHBondContact O-N 3.13Å; S183-W186 PolarHBondContact O-N 3.24Å; W186-L188 VanDerWaalsContact C-N 3.29Å; W186-L188 PolarHBondContact O-N 2.67Å; W186-G189 CarbonylContact O-C 3.58Å; W186-G189 WeakPolarHBondContact O-CA 3.39Å; W186-G189 PolarHBondContact O-N 3.34Å; W186-C190 PolarHBondContact O-N 3.21Å; W186-F202 AromaticContact CH2-CE2 3.91Å; W186-F202 HydrophobicContact CH2-CE2 3.91Å; W186-F202 AromaticContact CH2-CZ 3.82Å; W186-F202 HydrophobicContact CH2-CZ 3.82Å; W186-F202 HydrophobicContact CZ2-CD2 4.17Å; W186-F202 AromaticContact CZ2-CE2 3.29Å; W186-F202 HydrophobicContact CZ2-CE2 3.29Å; W186-F202 AromaticContact CZ2-CZ 3.7Å; W186-F202 HydrophobicContact CZ2-CZ 3.7Å; W186-V214 HydrophobicContact CZ2-CG1 3.92Å; W186-F238 AromaticContact CD2-CD1 3.77Å; W186-F238 HydrophobicContact CD2-CD1 3.77Å; W186-F238 HydrophobicContact CD2-CE1 4.13Å; W186-F238 AromaticContact CE2-CD1 3.77Å; W186-F238 AromaticContact CE2-CE1 3.91Å; W186-F238 AromaticContact CE3-CD1 3.8Å; W186-F238 HydrophobicContact CE3-CD1 3.8Å; W186-F238 HydrophobicContact CG-CD1 4.5Å; W186-F238 HydrophobicContact CG-CE1 4.49Å; W186-F238 AromaticContact CH2-CD1 3.87Å; W186-F238 HydrophobicContact CH2-CD1 3.87Å; W186-F238 AromaticContact CZ2-CD1 3.83Å; W186-F238 HydrophobicContact CZ2-CD1 3.83Å; W186-F238 HydrophobicContact CZ2-CE1 4.22Å; W186-F238 HydrophobicContact CZ3-CB 4.22Å; W186-F238 AromaticContact CZ3-CD1 3.86Å; W186-F238 HydrophobicContact CZ3-CD1 3.86Å; W186-F238 WeakPolarHBondContact CZ3-O 3.35Å
187S97Very high95.2Very high5 Ų516.8 Ų16.84%0.0359%0.09CC..Hα-helixtrans-62.6-35.8177.7-55.60000111.9I128 Y168 S183 D184 C190 I191I128-S187 WeakPolarHBondContact O-CB 3.21Å; Y168-S187 PolarHBondContact O-OG 3.17Å; S183-S187 PolarHBondContact O-N 2.82Å; S183-S187 PolarHBondContact O-OG 2.87Å; D184-S187 PolarHBondContact O-N 3.19Å; S187-C190 WeakPolarHBondContact O-CB 3.3Å; S187-C190 PolarHBondContact O-N 2.91Å; S187-I191 PolarHBondContact O-N 3.04Å
188L97.9Very high95.7Very high0 Ų013.9 Ų13.90%08%0.075CC..Hα-helixtrans-66.5-36.4170.2-177.561.7000112.5F108 M111 V115 I128 D184 I185 W186 C190 I191 L192 M237F108-L188 HydrophobicContact CE2-CD1 4.37Å; F108-L188 HydrophobicContact CE2-CD2 4.16Å; F108-L188 HydrophobicContact CE2-CG 3.9Å; F108-L188 HydrophobicContact CZ-CD2 4.49Å; M111-L188 HydrophobicContact CB-CD1 3.65Å; M111-L188 HydrophobicContact CE-CD1 4.02Å; M111-L188 HydrophobicContact CG-CD1 4.34Å; M111-L188 HydrophobicContact SD-CD1 3.86Å; V115-L188 HydrophobicContact CG2-CD2 4.33Å; I128-L188 HydrophobicContact CG2-CB 4.24Å; D184-L188 PolarHBondContact O-N 3.33Å; I185-L188 PolarHBondContact O-N 3.42Å; W186-L188 VanDerWaalsContact C-N 3.29Å; W186-L188 PolarHBondContact O-N 2.67Å; L188-C190 VanDerWaalsContact C-N 3.32Å; L188-C190 PolarHBondContact O-N 3.08Å; L188-I191 PolarHBondContact O-N 2.68Å; L188-I191 VanDerWaalsContact O-N 3.15Å; L188-L192 PolarHBondContact O-N 3.43Å; L188-M237 HydrophobicContact CB-CE 4.04Å; L188-M237 HydrophobicContact CD2-CE 4.16Å; L188-M237 HydrophobicContact CG-CE 3.93Å
189G98Very high96.3Very high0 Ų016.6 Ų16.60%08%0.079CC..Hα-helixtrans-62.5-35.617300000112.9I185 W186 I191 L192 Y193 M237 F238I185-G189 PolarHBondContact O-N 2.69Å; W186-G189 CarbonylContact O-C 3.58Å; W186-G189 WeakPolarHBondContact O-CA 3.39Å; W186-G189 PolarHBondContact O-N 3.34Å; G189-I191 VanDerWaalsContact C-N 3.34Å; G189-I191 PolarHBondContact O-N 3.44Å; G189-L192 PolarHBondContact O-N 3.26Å; G189-Y193 WeakPolarHBondContact O-CB 3.42Å; G189-Y193 PolarHBondContact O-N 2.91Å; G189-M237 VanDerWaalsContact N-CE 3.34Å; G189-F238 VanDerWaalsContact C-CZ 3.4Å; G189-F238 WeakPolarHBondContact O-CZ 3.5Å
190C97.8Very high96.6Very high0 Ų016.1 Ų16.10%08%0.078CC..Hα-helixtrans-59.7-42.6170.5-67.80000112.2Y167 Y168 W186 S187 L188 Y193 E194 P201Y167-C190 PolarHBondContact O-SG 2.68Å; Y168-C190 HydrophobicContact CD1-CB 3.65Å; Y168-C190 HydrophobicContact CE1-CB 4Å; W186-C190 PolarHBondContact O-N 3.21Å; S187-C190 WeakPolarHBondContact O-CB 3.3Å; S187-C190 PolarHBondContact O-N 2.91Å; L188-C190 VanDerWaalsContact C-N 3.32Å; L188-C190 PolarHBondContact O-N 3.08Å; C190-Y193 PolarHBondContact O-N 3.03Å; C190-E194 WeakPolarHBondContact O-CG 3.19Å; C190-E194 PolarHBondContact O-N 2.88Å; C190-P201 HydrophobicContact CB-CG 4.1Å
191I98.2Very high96.9Very high0 Ų014.5 Ų14.50%07%0.07CC..Hα-helixtrans-68.2-41.5178.4-56.1175.9000111L87 M111 I128 I133 Y168 S187 L188 G189 Y193 E194 L195L87-I191 HydrophobicContact CD1-CG2 4Å; M111-I191 HydrophobicContact CE-CG2 3.92Å; M111-I191 HydrophobicContact SD-CD1 4.46Å; M111-I191 HydrophobicContact SD-CG2 3.92Å; I128-I191 HydrophobicContact CG2-CD1 3.54Å; I133-I191 HydrophobicContact CD1-CD1 4.09Å; I133-I191 HydrophobicContact CG1-CD1 3.61Å; Y168-I191 HydrophobicContact CD1-CG1 4.46Å; Y168-I191 HydrophobicContact CE1-CG1 3.95Å; S187-I191 PolarHBondContact O-N 3.04Å; L188-I191 PolarHBondContact O-N 2.68Å; L188-I191 VanDerWaalsContact O-N 3.15Å; G189-I191 VanDerWaalsContact C-N 3.34Å; G189-I191 PolarHBondContact O-N 3.44Å; I191-Y193 VanDerWaalsContact C-N 3.31Å; I191-Y193 PolarHBondContact O-N 3.45Å; I191-E194 WeakPolarHBondContact O-CB 3.37Å; I191-E194 PolarHBondContact O-N 3.14Å; I191-L195 HydrophobicContact CG2-CD1 4.39Å; I191-L195 WeakPolarHBondContact O-CG 3.29Å; I191-L195 PolarHBondContact O-N 3.32Å
192L98.3Very high96.9Very high0 Ų012.5 Ų12.50%06%0.059CC..Hα-helixtrans-59.1-44.4174.9-177.456.9000111.2I104 F108 L188 G189 L195 C196 L230 L233 V234 M237I104-L192 HydrophobicContact CG2-CD1 3.49Å; I104-L192 VanDerWaalsContact CG2-CD1 3.49Å; F108-L192 HydrophobicContact CB-CD1 4.17Å; F108-L192 HydrophobicContact CD2-CB 3.86Å; F108-L192 HydrophobicContact CD2-CD1 3.76Å; F108-L192 HydrophobicContact CD2-CD2 3.86Å; F108-L192 HydrophobicContact CD2-CG 4.03Å; F108-L192 HydrophobicContact CE1-CD2 4.36Å; F108-L192 HydrophobicContact CE2-CB 3.86Å; F108-L192 HydrophobicContact CE2-CD1 4.37Å; F108-L192 HydrophobicContact CE2-CD2 3.62Å; F108-L192 HydrophobicContact CE2-CG 4.15Å; F108-L192 HydrophobicContact CG-CD1 3.99Å; F108-L192 HydrophobicContact CG-CD2 4.33Å; F108-L192 HydrophobicContact CZ-CD2 3.89Å; L188-L192 PolarHBondContact O-N 3.43Å; G189-L192 PolarHBondContact O-N 3.26Å; L192-L195 PolarHBondContact O-N 3.42Å; L192-C196 PolarHBondContact O-N 3.36Å; L192-C196 PolarHBondContact O-SG 3.36Å; L192-L230 HydrophobicContact CD1-CD1 3.82Å; L192-L230 HydrophobicContact CD2-CD1 3.95Å; L192-L230 HydrophobicContact CG-CD1 4.08Å; L192-L233 HydrophobicContact CD2-CD2 3.76Å; L192-L233 HydrophobicContact CD2-CG 3.81Å; L192-V234 HydrophobicContact CB-CG2 4.5Å; L192-V234 HydrophobicContact CD2-CG2 3.52Å; L192-V234 HydrophobicContact CG-CG2 3.72Å; L192-M237 HydrophobicContact CD2-SD 4.02Å
193Y98.3Very high96.5Very high13 Ų1316 Ų165%0.0518%0.076CC..Hα-helixtrans-64.1-40.1175.4-174.1-78.1000112.8G189 C190 I191 C196 T197 K199 P201 I219 S220 L222 V234 F238G189-Y193 WeakPolarHBondContact O-CB 3.42Å; G189-Y193 PolarHBondContact O-N 2.91Å; C190-Y193 PolarHBondContact O-N 3.03Å; I191-Y193 VanDerWaalsContact C-N 3.31Å; I191-Y193 PolarHBondContact O-N 3.45Å; Y193-C196 PolarHBondContact O-N 3.29Å; Y193-T197 HydrophobicContact CD1-CG2 4.11Å; Y193-T197 WeakPolarHBondContact CD1-OG1 3.32Å; Y193-T197 HydrophobicContact CD2-CG2 4.49Å; Y193-T197 HydrophobicContact CE1-CG2 3.72Å; Y193-T197 WeakPolarHBondContact CE1-OG1 3.49Å; Y193-T197 HydrophobicContact CE2-CG2 4.15Å; Y193-T197 HydrophobicContact CG-CG2 4.47Å; Y193-T197 WeakPolarHBondContact O-CB 3.3Å; Y193-T197 WeakPolarHBondContact O-CG2 3.09Å; Y193-T197 PolarHBondContact O-N 3.21Å; Y193-T197 PolarHBondContact O-OG1 2.97Å; Y193-K199 WeakPolarHBondContact CD1-O 3.47Å; Y193-P201 VanDerWaalsContact CD1-CA 3.49Å; Y193-P201 HydrophobicContact CD1-CB 3.73Å; Y193-P201 HydrophobicContact CD1-CG 4.33Å; Y193-P201 HydrophobicContact CD2-CB 4.09Å; Y193-P201 HydrophobicContact CE1-CB 4.07Å; Y193-P201 HydrophobicContact CE2-CB 4.38Å; Y193-P201 HydrophobicContact CG-CB 3.76Å; Y193-P201 HydrophobicContact CG-CG 4.43Å; Y193-I219 HydrophobicContact CE2-CB 4.34Å; Y193-S220 WeakPolarHBondContact CE2-O 2.99Å; Y193-L222 HydrophobicContact CD2-CD2 3.65Å; Y193-L222 HydrophobicContact CE2-CD2 3.8Å; Y193-L222 HydrophobicContact CG-CD2 4.45Å; Y193-V234 HydrophobicContact CD2-CG1 4.21Å; Y193-F238 HydrophobicContact CD2-CE2 4.44Å
194E97.8Very high96.1Very high4 Ų417.3 Ų17.32%0.0199%0.086CC..Hα-helixtrans-60.5-42.3173.6-78.9177.1102.500112.1I91 S130 Y168 C190 I191 C196 T197 L198 K199 H200I91-E194 HydrophobicContact CD1-CB 3.83Å; S130-E194 WeakPolarHBondContact CB-OE2 3.42Å; S130-E194 PolarHBondContact OG-OE1 3.22Å; S130-E194 PolarHBondContact OG-OE2 2.76Å; Y168-E194 VanDerWaalsContact CE1-OE2 3.29Å; Y168-E194 WeakPolarHBondContact CE1-OE2 3.28Å; Y168-E194 VanDerWaalsContact OH-CD 3.29Å; Y168-E194 PolarHBondContact OH-OE1 2.7Å; Y168-E194 VanDerWaalsContact OH-OE1 3.07Å; Y168-E194 PolarHBondContact OH-OE2 3.39Å; C190-E194 WeakPolarHBondContact O-CG 3.19Å; C190-E194 PolarHBondContact O-N 2.88Å; I191-E194 WeakPolarHBondContact O-CB 3.37Å; I191-E194 PolarHBondContact O-N 3.14Å; E194-C196 VanDerWaalsContact C-N 3.35Å; E194-T197 PolarHBondContact O-N 3.41Å; E194-L198 WeakPolarHBondContact O-CA 3.18Å; E194-L198 PolarHBondContact O-N 3.44Å; E194-K199 WeakPolarHBondContact CA-O 3.44Å; E194-H200 IonicContact OE1-CE1 2.87Å; E194-H200 PolarHBondContact OE1-CE1 2.93Å; E194-H200 IonicContact OE1-ND1 3.47Å; E194-H200 PolarHBondContact OE1-ND1 2.71Å
195L98.3Very high95.5Very high0 Ų025 Ų250%013%0.127CC..Hα-helixtrans-64-40.3176.6-70.4173.5000111.5L87 I91 F99 I104 W107 M111 I191 L192L87-L195 HydrophobicContact CD1-CD1 4.47Å; L87-L195 HydrophobicContact CD1-CD2 4.49Å; L87-L195 HydrophobicContact CD2-CD2 4.48Å; I91-L195 HydrophobicContact CD1-CD2 4.31Å; I91-L195 HydrophobicContact CG1-CD2 4.22Å; F99-L195 HydrophobicContact CD2-CD2 4.47Å; F99-L195 WeakPolarHBondContact CD2-O 3.42Å; F99-L195 HydrophobicContact CE2-CD2 4.25Å; I104-L195 HydrophobicContact CG1-CB 4.18Å; I104-L195 HydrophobicContact CG2-CB 3.85Å; I104-L195 HydrophobicContact CG2-CD1 4.23Å; W107-L195 HydrophobicContact CE3-CD1 4.28Å; W107-L195 HydrophobicContact CE3-CD2 3.79Å; W107-L195 HydrophobicContact CZ3-CD2 3.81Å; M111-L195 HydrophobicContact CE-CD1 4.1Å; I191-L195 HydrophobicContact CG2-CD1 4.39Å; I191-L195 WeakPolarHBondContact O-CG 3.29Å; I191-L195 PolarHBondContact O-N 3.32Å; L192-L195 PolarHBondContact O-N 3.42Å
196C98.1Very high94.8Very high0 Ų027 Ų270%014%0.142CC..Hα-helixtrans-69.6-33.8177.3-63.60000113.7L192 Y193 E194 L222 Y226L192-C196 PolarHBondContact O-N 3.36Å; L192-C196 PolarHBondContact O-SG 3.36Å; Y193-C196 PolarHBondContact O-N 3.29Å; E194-C196 VanDerWaalsContact C-N 3.35Å; C196-L222 HydrophobicContact CB-CD1 4.27Å; C196-L222 HydrophobicContact CB-CD2 3.88Å; C196-Y226 WeakPolarHBondContact CA-OH 3.45Å; C196-Y226 HydrophobicContact CB-CD2 4.37Å; C196-Y226 HydrophobicContact CB-CE2 3.86Å; C196-Y226 WeakPolarHBondContact O-CE2 3.48Å; C196-Y226 PolarHBondContact O-OH 3.28Å
197T97.5Very high93.9Very high16 Ų1633.5 Ų33.510%0.09817%0.166CC..Hα-helixtrans-123-9.4-164.5690000115.8Y193 E194 K199 L222Y193-T197 HydrophobicContact CD1-CG2 4.11Å; Y193-T197 WeakPolarHBondContact CD1-OG1 3.32Å; Y193-T197 HydrophobicContact CD2-CG2 4.49Å; Y193-T197 HydrophobicContact CE1-CG2 3.72Å; Y193-T197 WeakPolarHBondContact CE1-OG1 3.49Å; Y193-T197 HydrophobicContact CE2-CG2 4.15Å; Y193-T197 HydrophobicContact CG-CG2 4.47Å; Y193-T197 WeakPolarHBondContact O-CB 3.3Å; Y193-T197 WeakPolarHBondContact O-CG2 3.09Å; Y193-T197 PolarHBondContact O-N 3.21Å; Y193-T197 PolarHBondContact O-OG1 2.97Å; E194-T197 PolarHBondContact O-N 3.41Å; T197-K199 PolarHBondContact O-N 3.22Å; T197-K199 PolarHBondContact OG1-N 3.2Å; T197-K199 PolarHBondContact OG1-O 2.79Å; T197-K199 VanDerWaalsContact OG1-O 3.1Å; T197-L222 HydrophobicContact CG2-CD2 3.86Å
198L97Very high93.2Very high34 Ų3439.5 Ų39.518%0.17819%0.192CC..SBendtrans56.821.9-168.5-48.2176.3000114.2I91 Q94 L98 F99 E194I91-L198 HydrophobicContact CB-CD2 4.48Å; I91-L198 HydrophobicContact CG2-CB 4.17Å; I91-L198 HydrophobicContact CG2-CD2 3.98Å; Q94-L198 HydrophobicContact CB-CD1 3.84Å; Q94-L198 HydrophobicContact CB-CD2 4.08Å; Q94-L198 HydrophobicContact CG-CD2 4.14Å; L98-L198 HydrophobicContact CD2-CD1 4.09Å; L98-L198 HydrophobicContact CD2-CG 3.94Å; F99-L198 HydrophobicContact CD2-CD2 3.84Å; F99-L198 HydrophobicContact CE2-CD2 3.67Å; E194-L198 WeakPolarHBondContact O-CA 3.18Å; E194-L198 PolarHBondContact O-N 3.44Å
199K94.8Very high92.7Very high131 Ų13143.6 Ų43.657%0.5721%0.213SC*.SBendtrans-140.1156.4-175.9-63.7172.3-172.3173.80110.4Y193 E194 T197Y193-K199 WeakPolarHBondContact CD1-O 3.47Å; E194-K199 WeakPolarHBondContact CA-O 3.44Å; T197-K199 PolarHBondContact O-N 3.22Å; T197-K199 PolarHBondContact OG1-N 3.2Å; T197-K199 PolarHBondContact OG1-O 2.79Å; T197-K199 VanDerWaalsContact OG1-O 3.1Å
200H94.4Very high92.3Very high32 Ų3243.9 Ų43.915%0.14822%0.215CC..  trans-72.9146.9170.5-58.2-57.5000111Y167 E194 F202 Q203Y167-H200 HydrophobicContact CD1-CB 4.36Å; Y167-H200 HydrophobicContact CD2-CB 4.24Å; Y167-H200 AromaticContact CD2-CD2 3.03Å; Y167-H200 WeakPolarHBondContact CD2-CD2 3.32Å; Y167-H200 AromaticContact CD2-CE1 3.93Å; Y167-H200 AromaticContact CD2-CG 3.53Å; Y167-H200 AromaticContact CD2-NE2 3.34Å; Y167-H200 VanDerWaalsContact CD2-NE2 3.34Å; Y167-H200 WeakPolarHBondContact CD2-NE2 3.33Å; Y167-H200 AromaticContact CE2-CD2 3.37Å; Y167-H200 WeakPolarHBondContact CE2-CD2 3.39Å; Y167-H200 AromaticContact CE2-NE2 3.73Å; Y167-H200 HydrophobicContact CG-CB 3.91Å; Y167-H200 AromaticContact CG-CD2 3.63Å; Y167-H200 AromaticContact CG-CG 3.67Å; E194-H200 IonicContact OE1-CE1 2.87Å; E194-H200 PolarHBondContact OE1-CE1 2.93Å; E194-H200 IonicContact OE1-ND1 3.47Å; E194-H200 PolarHBondContact OE1-ND1 2.71Å; H200-F202 VanDerWaalsContact C-N 3.32Å; H200-F202 PolarHBondContact O-N 3.45Å; H200-Q203 HydrophobicContact CB-CG 4.02Å
201P94.9Very high91.7Very high10 Ų1046.1 Ų46.17%0.06523%0.226CC..SBendtrans-63.1-35.5-179.224.2-34.9000113.5C190 Y193 I219 F238C190-P201 HydrophobicContact CB-CG 4.1Å; Y193-P201 VanDerWaalsContact CD1-CA 3.49Å; Y193-P201 HydrophobicContact CD1-CB 3.73Å; Y193-P201 HydrophobicContact CD1-CG 4.33Å; Y193-P201 HydrophobicContact CD2-CB 4.09Å; Y193-P201 HydrophobicContact CE1-CB 4.07Å; Y193-P201 HydrophobicContact CE2-CB 4.38Å; Y193-P201 HydrophobicContact CG-CB 3.76Å; Y193-P201 HydrophobicContact CG-CG 4.43Å; P201-I219 HydrophobicContact CB-CG2 3.95Å; P201-F238 HydrophobicContact CB-CE1 4.4Å; P201-F238 HydrophobicContact CB-CE2 4.29Å; P201-F238 HydrophobicContact CB-CZ 3.84Å; P201-F238 HydrophobicContact CG-CE1 4.16Å; P201-F238 HydrophobicContact CG-CZ 3.74Å
202F92.9Very high91.2Very high2 Ų250.2 Ų50.21%0.00925%0.248CC..SBendtrans-119.6120.3179.5-54.6-78.8000109.5Y167 W186 H200 L210 K213 V214 I219 F238Y167-F202 WeakPolarHBondContact CD1-O 3.49Å; W186-F202 AromaticContact CH2-CE2 3.91Å; W186-F202 HydrophobicContact CH2-CE2 3.91Å; W186-F202 AromaticContact CH2-CZ 3.82Å; W186-F202 HydrophobicContact CH2-CZ 3.82Å; W186-F202 HydrophobicContact CZ2-CD2 4.17Å; W186-F202 AromaticContact CZ2-CE2 3.29Å; W186-F202 HydrophobicContact CZ2-CE2 3.29Å; W186-F202 AromaticContact CZ2-CZ 3.7Å; W186-F202 HydrophobicContact CZ2-CZ 3.7Å; H200-F202 VanDerWaalsContact C-N 3.32Å; H200-F202 PolarHBondContact O-N 3.45Å; F202-L210 HydrophobicContact CB-CD1 3.7Å; F202-L210 VanDerWaalsContact O-CD1 3.32Å; F202-L210 WeakPolarHBondContact O-CD1 3.42Å; F202-K213 HydrophobicContact CD1-CB 4.13Å; F202-K213 WeakPolarHBondContact CE1-O 3.41Å; F202-V214 HydrophobicContact CB-CG2 3.8Å; F202-V214 HydrophobicContact CD1-CG2 4.26Å; F202-V214 HydrophobicContact CD2-CG2 3.85Å; F202-V214 HydrophobicContact CG-CG2 3.7Å; F202-I219 HydrophobicContact CE1-CG2 3.79Å; F202-I219 HydrophobicContact CE2-CG2 3.95Å; F202-I219 HydrophobicContact CZ-CG2 3.39Å; F202-F238 AromaticContact CE2-CD1 3.94Å; F202-F238 HydrophobicContact CE2-CD1 3.94Å; F202-F238 AromaticContact CE2-CE1 3.86Å; F202-F238 HydrophobicContact CE2-CE1 3.86Å; F202-F238 HydrophobicContact CZ-CD1 4.28Å
203Q88Confident90.9Very high88 Ų8854.6 Ų54.641%0.41127%0.267SS..  trans-137.7137.8177.4-66-174.5-3300110.3H200 K213H200-Q203 HydrophobicContact CB-CG 4.02Å; Q203-K213 PolarHBondContact O-NZ 3.29Å
204A87Confident90.5Very high26 Ų2654.1 Ų54.122%0.21527%0.265CS..  trans-157.4159.517700000111.3S206 N209 L210A204-S206 VanDerWaalsContact C-N 3.25Å; A204-S206 PolarHBondContact O-N 3.46Å; A204-N209 HydrophobicContact CB-CB 3.76Å; A204-L210 HydrophobicContact CB-CB 4.14Å
205N84Confident90.1Very high162 Ų16255.1 Ų55.187%0.86627%0.272SS*.SBendtrans-82.11.7-176.1-56.43.9000113.5
206S82.9Confident89.6Confident44 Ų4461.1 Ų61.131%0.30830%0.3SS..SBendtrans-152153.9175.872.90000110.7A204 N209 L210A204-S206 VanDerWaalsContact C-N 3.25Å; A204-S206 PolarHBondContact O-N 3.46Å; S206-N209 PolarHBondContact O-N 2.96Å; S206-N209 WeakPolarHBondContact OG-CB 3.41Å; S206-N209 VanDerWaalsContact OG-CG 3.24Å; S206-N209 PolarHBondContact OG-N 3.14Å; S206-N209 PolarHBondContact OG-ND2 3.06Å; S206-L210 PolarHBondContact O-N 2.86Å
207W79.4Confident88.9Confident137 Ų13762 Ų6252%0.51931%0.31SS..Hα-helixtrans-60.1-45.7178.6-73.580.8000112.2Y162 P166 W174 N209 L210 I211Y162-W207 HydrophobicContact CD1-CH2 4.19Å; Y162-W207 HydrophobicContact CD1-CZ3 4.38Å; Y162-W207 HydrophobicContact CE1-CH2 4.21Å; P166-W207 HydrophobicContact CB-CE3 4.16Å; P166-W207 HydrophobicContact CB-CH2 3.82Å; P166-W207 HydrophobicContact CB-CZ3 3.5Å; P166-W207 VanDerWaalsContact CB-CZ3 3.5Å; P166-W207 HydrophobicContact CG-CD2 4.47Å; P166-W207 HydrophobicContact CG-CE3 4.03Å; P166-W207 HydrophobicContact CG-CH2 3.54Å; P166-W207 HydrophobicContact CG-CZ2 3.99Å; P166-W207 HydrophobicContact CG-CZ3 3.57Å; W174-W207 HydrophobicContact CH2-CE3 4.25Å; W174-W207 HydrophobicContact CH2-CZ3 4.09Å; W207-N209 VanDerWaalsContact C-N 3.27Å; W207-N209 PolarHBondContact O-N 3.35Å; W207-L210 PolarHBondContact O-N 3.01Å; W207-L210 VanDerWaalsContact O-N 3.08Å; W207-I211 VanDerWaalsContact O-CG1 3.29Å; W207-I211 WeakPolarHBondContact O-CG1 3.35Å; W207-I211 PolarHBondContact O-N 3.16Å
208K81.6Confident88.2Confident131 Ų13165.8 Ų65.857%0.5734%0.336SS*.Hα-helixtrans-53.8-43.8175.4-172.5172-178.2174.30111.6L212K208-L212 HydrophobicContact CG-CD1 4.28Å; K208-L212 WeakPolarHBondContact O-CB 3.38Å; K208-L212 VanDerWaalsContact O-CG 3.24Å; K208-L212 WeakPolarHBondContact O-CG 3.46Å; K208-L212 PolarHBondContact O-N 3.23Å
209N88.1Confident87.9Confident85 Ų8566 Ų6646%0.45534%0.337SS..Hα-helixtrans-76.2-26.9-179.8-67-0000113A204 S206 W207 K213A204-N209 HydrophobicContact CB-CB 3.76Å; S206-N209 PolarHBondContact O-N 2.96Å; S206-N209 WeakPolarHBondContact OG-CB 3.41Å; S206-N209 VanDerWaalsContact OG-CG 3.24Å; S206-N209 PolarHBondContact OG-N 3.14Å; S206-N209 PolarHBondContact OG-ND2 3.06Å; W207-N209 VanDerWaalsContact C-N 3.27Å; W207-N209 PolarHBondContact O-N 3.35Å; N209-K213 WeakPolarHBondContact O-CG 3.33Å; N209-K213 PolarHBondContact O-N 3.46Å
210L88.1Confident87.8Confident6 Ų663.3 Ų63.33%0.03133%0.334CS..Hα-helixtrans-69.7-48.7172.7179.162.7000110.8P166 Y167 F202 A204 S206 W207 L212 K213 V214P166-L210 HydrophobicContact CB-CD2 3.88Å; P166-L210 HydrophobicContact CG-CD2 3.49Å; P166-L210 VanDerWaalsContact CG-CD2 3.49Å; Y167-L210 HydrophobicContact CD1-CD1 4.09Å; Y167-L210 HydrophobicContact CD1-CD2 3.91Å; Y167-L210 HydrophobicContact CE1-CD1 4.27Å; Y167-L210 HydrophobicContact CE1-CD2 3.93Å; F202-L210 HydrophobicContact CB-CD1 3.7Å; F202-L210 VanDerWaalsContact O-CD1 3.32Å; F202-L210 WeakPolarHBondContact O-CD1 3.42Å; A204-L210 HydrophobicContact CB-CB 4.14Å; S206-L210 PolarHBondContact O-N 2.86Å; W207-L210 PolarHBondContact O-N 3.01Å; W207-L210 VanDerWaalsContact O-N 3.08Å; L210-L212 VanDerWaalsContact C-N 3.35Å; L210-L212 PolarHBondContact O-N 2.95Å; L210-K213 PolarHBondContact O-N 3.09Å; L210-K213 VanDerWaalsContact O-N 3.16Å; L210-V214 HydrophobicContact CD1-CG2 4.46Å; L210-V214 WeakPolarHBondContact O-CG2 3.41Å; L210-V214 PolarHBondContact O-N 3.33Å
211I85.9Confident87.8Confident47 Ų4767 Ų6724%0.24136%0.361CS..Hα-helixtrans-58.4-47.9178-65.2165.9000110W174 W207 K213 V214 C215W174-I211 HydrophobicContact CB-CG2 3.87Å; W174-I211 HydrophobicContact CD2-CD1 4.23Å; W174-I211 HydrophobicContact CD2-CG1 3.73Å; W174-I211 HydrophobicContact CD2-CG2 4.19Å; W174-I211 HydrophobicContact CE3-CD1 3.63Å; W174-I211 HydrophobicContact CE3-CG1 3.67Å; W174-I211 HydrophobicContact CE3-CG2 4.43Å; W174-I211 HydrophobicContact CG-CG1 4.34Å; W174-I211 HydrophobicContact CG-CG2 3.95Å; W174-I211 HydrophobicContact CH2-CD1 4.29Å; W174-I211 HydrophobicContact CH2-CG1 4.17Å; W174-I211 HydrophobicContact CZ2-CG1 4.21Å; W174-I211 HydrophobicContact CZ3-CD1 3.67Å; W174-I211 HydrophobicContact CZ3-CG1 3.9Å; W207-I211 VanDerWaalsContact O-CG1 3.29Å; W207-I211 WeakPolarHBondContact O-CG1 3.35Å; W207-I211 PolarHBondContact O-N 3.16Å; I211-K213 VanDerWaalsContact C-N 3.32Å; I211-K213 PolarHBondContact O-N 3.37Å; I211-V214 PolarHBondContact O-N 3.47Å; I211-V214 VanDerWaalsContact O-N 3.16Å; I211-C215 WeakPolarHBondContact O-CB 3.4Å; I211-C215 PolarHBondContact O-N 3.16Å; I211-C215 PolarHBondContact O-SG 3.32Å
212L88.6Confident87.8Confident87 Ų8767.2 Ų67.246%0.45536%0.362SS..Hα-helixtrans-56.7-42.3176.1-74.2169.1000112.6K208 L210 Q216K208-L212 HydrophobicContact CG-CD1 4.28Å; K208-L212 WeakPolarHBondContact O-CB 3.38Å; K208-L212 VanDerWaalsContact O-CG 3.24Å; K208-L212 WeakPolarHBondContact O-CG 3.46Å; K208-L212 PolarHBondContact O-N 3.23Å; L210-L212 VanDerWaalsContact C-N 3.35Å; L210-L212 PolarHBondContact O-N 2.95Å; L212-Q216 VanDerWaalsContact O-CB 3.32Å; L212-Q216 WeakPolarHBondContact O-CB 3.43Å; L212-Q216 WeakPolarHBondContact O-CG 3.48Å; L212-Q216 PolarHBondContact O-N 3.12Å
213K90.9Very high87.9Confident92 Ų9269 Ų6940%0.437%0.374SS..Hα-helixtrans-66-41.7175.6-77.9-173.9177.4-170.90113.2F202 Q203 N209 L210 I211 Q216 G217F202-K213 HydrophobicContact CD1-CB 4.13Å; F202-K213 WeakPolarHBondContact CE1-O 3.41Å; Q203-K213 PolarHBondContact O-NZ 3.29Å; N209-K213 WeakPolarHBondContact O-CG 3.33Å; N209-K213 PolarHBondContact O-N 3.46Å; L210-K213 PolarHBondContact O-N 3.09Å; L210-K213 VanDerWaalsContact O-N 3.16Å; I211-K213 VanDerWaalsContact C-N 3.32Å; I211-K213 PolarHBondContact O-N 3.37Å; K213-Q216 PolarHBondContact O-N 3.24Å; K213-G217 PolarHBondContact O-N 2.94Å; K213-G217 VanDerWaalsContact O-N 3.09Å
214V90.7Very high88.3Confident2 Ų270.6 Ų70.61%0.01239%0.394CS..Hα-helixtrans-62-48.7176.7166.90000110.5P171 W186 F202 L210 I211 Q216 G217P171-V214 HydrophobicContact CB-CG1 4.18Å; W186-V214 HydrophobicContact CZ2-CG1 3.92Å; F202-V214 HydrophobicContact CB-CG2 3.8Å; F202-V214 HydrophobicContact CD1-CG2 4.26Å; F202-V214 HydrophobicContact CD2-CG2 3.85Å; F202-V214 HydrophobicContact CG-CG2 3.7Å; L210-V214 HydrophobicContact CD1-CG2 4.46Å; L210-V214 WeakPolarHBondContact O-CG2 3.41Å; L210-V214 PolarHBondContact O-N 3.33Å; I211-V214 PolarHBondContact O-N 3.47Å; I211-V214 VanDerWaalsContact O-N 3.16Å; V214-Q216 VanDerWaalsContact C-N 3.32Å; V214-Q216 PolarHBondContact O-N 3.24Å; V214-G217 PolarHBondContact O-N 2.96Å; V214-G217 VanDerWaalsContact O-N 3.08Å
215C88.2Confident88.7Confident25 Ų2575 Ų7517%0.16941%0.41CS..Hα-helixtrans-64.5-33.5177.1-68.20000112.8E175 I211 G217 R240E175-C215 PolarHBondContact OE1-SG 2.73Å; I211-C215 WeakPolarHBondContact O-CB 3.4Å; I211-C215 PolarHBondContact O-N 3.16Å; I211-C215 PolarHBondContact O-SG 3.32Å; C215-G217 VanDerWaalsContact C-N 3.3Å; C215-R240 PolarHBondContact O-NH1 3.08Å
216Q89.2Confident89.3Confident126 Ų12667.7 Ų67.759%0.58937%0.371SS*.Hα-helixtrans-68.5-25.7172.4-76.4165.7-0.400113.2L212 K213 V214 C218L212-Q216 VanDerWaalsContact O-CB 3.32Å; L212-Q216 WeakPolarHBondContact O-CB 3.43Å; L212-Q216 WeakPolarHBondContact O-CG 3.48Å; L212-Q216 PolarHBondContact O-N 3.12Å; K213-Q216 PolarHBondContact O-N 3.24Å; V214-Q216 VanDerWaalsContact C-N 3.32Å; V214-Q216 PolarHBondContact O-N 3.24Å; Q216-C218 PolarHBondContact O-N 3.12Å
217G83.6Confident89.9Confident20 Ų2067 Ų6721%0.20637%0.366CS..THydrogen-bonded Turntrans722.8-178.900000115.3K213 V214 C215 I219K213-G217 PolarHBondContact O-N 2.94Å; K213-G217 VanDerWaalsContact O-N 3.09Å; V214-G217 PolarHBondContact O-N 2.96Å; V214-G217 VanDerWaalsContact O-N 3.08Å; C215-G217 VanDerWaalsContact C-N 3.3Å; G217-I219 PolarHBondContact O-N 3.31Å
218C82.3Confident90.6Very high94 Ų9467.7 Ų67.764%0.63537%0.369SS*.  trans-78.585.1-176.2-65.60000112.3Q216Q216-C218 PolarHBondContact O-N 3.12Å
219I91.3Very high91.2Very high40 Ų4065.3 Ų65.321%0.20536%0.36CS..PPolyproline II helixtrans-70.8155.6165.165.2179.1000111.3Y193 P201 F202 G217 V234 F238Y193-I219 HydrophobicContact CE2-CB 4.34Å; P201-I219 HydrophobicContact CB-CG2 3.95Å; F202-I219 HydrophobicContact CE1-CG2 3.79Å; F202-I219 HydrophobicContact CE2-CG2 3.95Å; F202-I219 HydrophobicContact CZ-CG2 3.39Å; G217-I219 PolarHBondContact O-N 3.31Å; I219-V234 HydrophobicContact CD1-CG1 3.86Å; I219-F238 HydrophobicContact CD1-CD2 3.75Å; I219-F238 HydrophobicContact CD1-CE2 4.37Å; I219-F238 HydrophobicContact CD1-CG 4.49Å; I219-F238 HydrophobicContact CG2-CD1 4.48Å; I219-F238 HydrophobicContact CG2-CD2 3.95Å; I219-F238 HydrophobicContact CG2-CE2 4.24Å; I219-F238 HydrophobicContact CG2-CG 4.07Å
220S92.4Very high91.5Very high73 Ų7361.3 Ų61.351%0.5134%0.339SS..PPolyproline II helixtrans-72.3151.9163.8-61.20000110.6Y193Y193-S220 WeakPolarHBondContact CE2-O 2.99Å
221P92.9Very high91.8Very high109 Ų10963 Ų6371%0.70835%0.347SS*.PPolyproline II helixtrans-64.7150.1174.827.9-35000111.2
222L95.9Very high92.2Very high15 Ų1565.2 Ų65.28%0.07936%0.355CS..PPolyproline II helixtrans-67.3157.4170.2-55.6-174.5000110.6Y193 C196 T197 S224 Y226 L230 Q231 V234Y193-L222 HydrophobicContact CD2-CD2 3.65Å; Y193-L222 HydrophobicContact CE2-CD2 3.8Å; Y193-L222 HydrophobicContact CG-CD2 4.45Å; C196-L222 HydrophobicContact CB-CD1 4.27Å; C196-L222 HydrophobicContact CB-CD2 3.88Å; T197-L222 HydrophobicContact CG2-CD2 3.86Å; L222-S224 PolarHBondContact O-N 3.19Å; L222-Y226 HydrophobicContact CB-CD2 4.24Å; L222-L230 HydrophobicContact CD1-CG 4.23Å; L222-Q231 HydrophobicContact CB-CG 4.14Å; L222-Q231 HydrophobicContact CD1-CG 4.03Å; L222-Q231 HydrophobicContact CG-CG 4.38Å; L222-V234 HydrophobicContact CD1-CB 4.39Å; L222-V234 HydrophobicContact CD1-CG2 4.08Å; L222-V234 HydrophobicContact CD2-CG1 4.47Å
223P95.9Very high92.5Very high40 Ų4062 Ų6226%0.2634%0.337SS..PPolyproline II helixtrans-50.8135.3167.4-29.136.4000112.9L98 H225 Y226L98-P223 HydrophobicContact CD1-CB 4.21Å; L98-P223 HydrophobicContact CD1-CG 3.85Å; P223-H225 WeakPolarHBondContact CB-CE1 3.25Å; P223-H225 PolarHBondContact O-N 2.94Å; P223-Y226 HydrophobicContact CB-CD2 3.97Å; P223-Y226 HydrophobicContact CB-CE2 3.94Å; P223-Y226 HydrophobicContact CG-CD2 4.27Å; P223-Y226 HydrophobicContact CG-CE2 3.9Å; P223-Y226 WeakPolarHBondContact O-CD2 3.35Å; P223-Y226 PolarHBondContact O-N 3.35Å
224S94.8Very high92.7Very high121 Ų12157.6 Ų57.685%0.84632%0.319SS*.THydrogen-bonded Turntrans-71.61.5-169.253.40000116.3L222L222-S224 PolarHBondContact O-N 3.19Å
225H95.6Very high92.9Very high120 Ų12062.7 Ų62.756%0.55634%0.34SS*.THydrogen-bonded Turntrans-90.6-10.817361.5-96.1000113.2P223P223-H225 WeakPolarHBondContact CB-CE1 3.25Å; P223-H225 PolarHBondContact O-N 2.94Å
226Y97.2Very high93.2Very high7 Ų762.6 Ų62.63%0.02734%0.338CS..SBendtrans-79.1146.2170.9-65-62.4000111F99 E101 I104 C196 L222 P223 L230 Q231F99-Y226 PolarHBondContact O-OH 3.36Å; E101-Y226 HydrophobicContact CB-CD1 4.13Å; E101-Y226 HydrophobicContact CB-CE1 4.48Å; E101-Y226 HydrophobicContact CG-CD1 4.42Å; E101-Y226 WeakPolarHBondContact OE2-CA 3.4Å; I104-Y226 HydrophobicContact CD1-CE1 3.59Å; C196-Y226 WeakPolarHBondContact CA-OH 3.45Å; C196-Y226 HydrophobicContact CB-CD2 4.37Å; C196-Y226 HydrophobicContact CB-CE2 3.86Å; C196-Y226 WeakPolarHBondContact O-CE2 3.48Å; C196-Y226 PolarHBondContact O-OH 3.28Å; L222-Y226 HydrophobicContact CB-CD2 4.24Å; P223-Y226 HydrophobicContact CB-CD2 3.97Å; P223-Y226 HydrophobicContact CB-CE2 3.94Å; P223-Y226 HydrophobicContact CG-CD2 4.27Å; P223-Y226 HydrophobicContact CG-CE2 3.9Å; P223-Y226 WeakPolarHBondContact O-CD2 3.35Å; P223-Y226 PolarHBondContact O-N 3.35Å; Y226-L230 HydrophobicContact CD1-CD2 3.83Å; Y226-L230 HydrophobicContact CG-CD2 4.09Å; Y226-Q231 PolarHBondContact O-NE2 3.39Å
227S95.9Very high93.6Very high29 Ų2956.6 Ų56.620%0.20331%0.31CS..  trans-55.7157.7-177.670.50000113.5E101 E229 L230 Q231E101-S227 WeakPolarHBondContact OE1-CB 3.32Å; E101-S227 PolarHBondContact OE1-OG 3.42Å; E101-S227 PolarHBondContact OE2-N 2.84Å; S227-E229 WeakPolarHBondContact CB-OE2 3.5Å; S227-E229 PolarHBondContact O-N 3.42Å; S227-L230 PolarHBondContact O-N 3.44Å; S227-L230 WeakPolarHBondContact OG-CB 3.42Å; S227-L230 PolarHBondContact OG-N 3.45Å; S227-Q231 WeakPolarHBondContact O-CG 3.17Å; S227-Q231 PolarHBondContact O-N 3.38Å; S227-Q231 VanDerWaalsContact O-N 3.09Å
228Y94.3Very high94.2Very high153 Ų15356.2 Ų56.260%0.630%0.302SS*.Hα-helixtrans-61.8-38.5172.5177.2-88.1000110.3Q231 F232Y228-Q231 CarbonylContact O-C 3.59Å; Y228-Q231 PolarHBondContact O-N 3Å; Y228-F232 HydrophobicContact CD1-CB 4.37Å; Y228-F232 HydrophobicContact CE1-CB 4.03Å; Y228-F232 HydrophobicContact CE1-CD2 4.05Å; Y228-F232 HydrophobicContact CE1-CG 4.28Å; Y228-F232 VanDerWaalsContact O-CB 3.26Å; Y228-F232 WeakPolarHBondContact O-CB 3.38Å; Y228-F232 PolarHBondContact O-N 3.02Å
229E92.6Very high94.8Very high81 Ų8155.6 Ų55.638%0.37929%0.289SS..Hα-helixtrans-61.3-44.9179.7-60.696.3125.700112.3S227 F232 L233 I256S227-E229 WeakPolarHBondContact CB-OE2 3.5Å; S227-E229 PolarHBondContact O-N 3.42Å; E229-F232 PolarHBondContact O-N 3.23Å; E229-L233 WeakPolarHBondContact O-CB 3.42Å; E229-L233 PolarHBondContact O-N 3.43Å; E229-I256 HydrophobicContact CB-CB 4.18Å; E229-I256 HydrophobicContact CB-CD1 4.32Å; E229-I256 HydrophobicContact CB-CG2 4.21Å
230L95.2Very high94.9Very high0 Ų059.4 Ų59.40%030%0.301CS..Hα-helixtrans-66.8-40.5174.5174.452.1000111.7E101 L105 L192 L222 Y226 S227 F232 L233 V234E101-L230 HydrophobicContact CG-CD2 3.73Å; L105-L230 HydrophobicContact CD2-CD1 4.06Å; L192-L230 HydrophobicContact CD1-CD1 3.82Å; L192-L230 HydrophobicContact CD2-CD1 3.95Å; L192-L230 HydrophobicContact CG-CD1 4.08Å; L222-L230 HydrophobicContact CD1-CG 4.23Å; Y226-L230 HydrophobicContact CD1-CD2 3.83Å; Y226-L230 HydrophobicContact CG-CD2 4.09Å; S227-L230 PolarHBondContact O-N 3.44Å; S227-L230 WeakPolarHBondContact OG-CB 3.42Å; S227-L230 PolarHBondContact OG-N 3.45Å; L230-F232 VanDerWaalsContact C-N 3.33Å; L230-F232 PolarHBondContact O-N 3.43Å; L230-L233 HydrophobicContact CD1-CD2 4.36Å; L230-V234 HydrophobicContact CD1-CG2 4.26Å; L230-V234 WeakPolarHBondContact O-CG2 3.46Å; L230-V234 PolarHBondContact O-N 2.93Å; L230-V234 VanDerWaalsContact O-N 3.12Å
231Q95.1Very high95Very high43 Ų4359.4 Ų59.420%0.20130%0.295CS..Hα-helixtrans-63.4-37.1174-70.9-179.454.500112.9L222 Y226 S227 Y228 K235L222-Q231 HydrophobicContact CB-CG 4.14Å; L222-Q231 HydrophobicContact CD1-CG 4.03Å; L222-Q231 HydrophobicContact CG-CG 4.38Å; Y226-Q231 PolarHBondContact O-NE2 3.39Å; S227-Q231 WeakPolarHBondContact O-CG 3.17Å; S227-Q231 PolarHBondContact O-N 3.38Å; S227-Q231 VanDerWaalsContact O-N 3.09Å; Y228-Q231 CarbonylContact O-C 3.59Å; Y228-Q231 PolarHBondContact O-N 3Å; Q231-K235 WeakPolarHBondContact O-CD 3.47Å; Q231-K235 VanDerWaalsContact O-CG 3.23Å; Q231-K235 WeakPolarHBondContact O-CG 3.42Å; Q231-K235 PolarHBondContact O-N 2.83Å
232F93.9Very high95.1Very high93 Ų9355.1 Ų55.141%0.40827%0.267SS..Hα-helixtrans-71.9-47.4178.2-178-93.8000111.1Y228 E229 L230 V234 K235 Q236Y228-F232 HydrophobicContact CD1-CB 4.37Å; Y228-F232 HydrophobicContact CE1-CB 4.03Å; Y228-F232 HydrophobicContact CE1-CD2 4.05Å; Y228-F232 HydrophobicContact CE1-CG 4.28Å; Y228-F232 VanDerWaalsContact O-CB 3.26Å; Y228-F232 WeakPolarHBondContact O-CB 3.38Å; Y228-F232 PolarHBondContact O-N 3.02Å; E229-F232 PolarHBondContact O-N 3.23Å; L230-F232 VanDerWaalsContact C-N 3.33Å; L230-F232 PolarHBondContact O-N 3.43Å; F232-V234 VanDerWaalsContact C-N 3.34Å; F232-V234 PolarHBondContact O-N 3.48Å; F232-K235 WeakPolarHBondContact O-CA 3.48Å; F232-K235 WeakPolarHBondContact O-CB 3.46Å; F232-K235 PolarHBondContact O-N 3Å; F232-Q236 HydrophobicContact CD1-CG 3.99Å; F232-Q236 HydrophobicContact CE1-CG 3.81Å; F232-Q236 HydrophobicContact CZ-CG 4.27Å; F232-Q236 WeakPolarHBondContact O-CG 3.29Å; F232-Q236 PolarHBondContact O-N 2.92Å
233L94.4Very high95Very high18 Ų1857.2 Ų57.29%0.09428%0.283CS..Hα-helixtrans-48.5-53.1173.1170.257.8000111.5F108 L192 E229 L230 K235 Q236 M237 L251 V257F108-L233 HydrophobicContact CD1-CD2 4.19Å; F108-L233 HydrophobicContact CE1-CD1 4.13Å; F108-L233 HydrophobicContact CE1-CD2 3.78Å; F108-L233 HydrophobicContact CE1-CG 4.39Å; F108-L233 HydrophobicContact CZ-CD1 4.23Å; F108-L233 HydrophobicContact CZ-CD2 4.33Å; L192-L233 HydrophobicContact CD2-CD2 3.76Å; L192-L233 HydrophobicContact CD2-CG 3.81Å; E229-L233 WeakPolarHBondContact O-CB 3.42Å; E229-L233 PolarHBondContact O-N 3.43Å; L230-L233 HydrophobicContact CD1-CD2 4.36Å; L233-K235 PolarHBondContact O-N 3.37Å; L233-Q236 PolarHBondContact O-N 3.28Å; L233-Q236 VanDerWaalsContact O-N 3.16Å; L233-M237 HydrophobicContact CD1-CG 4.42Å; L233-M237 HydrophobicContact CD1-SD 4.03Å; L233-M237 HydrophobicContact CG-SD 4.38Å; L233-M237 WeakPolarHBondContact O-CG 3.46Å; L233-M237 PolarHBondContact O-N 3.33Å; L233-M237 VanDerWaalsContact O-N 3.14Å; L233-L251 HydrophobicContact CD1-CD2 3.42Å; L233-L251 VanDerWaalsContact CD1-CD2 3.42Å; L233-V257 HydrophobicContact CD2-CG2 4.13Å
234V96Very high95Very high1 Ų160.4 Ų60.41%0.00629%0.294CS..Hα-helixtrans-59.2-43.1176.9168.40000111.9L192 Y193 I219 L222 L230 F232 Q236 M237 F238L192-V234 HydrophobicContact CB-CG2 4.5Å; L192-V234 HydrophobicContact CD2-CG2 3.52Å; L192-V234 HydrophobicContact CG-CG2 3.72Å; Y193-V234 HydrophobicContact CD2-CG1 4.21Å; I219-V234 HydrophobicContact CD1-CG1 3.86Å; L222-V234 HydrophobicContact CD1-CB 4.39Å; L222-V234 HydrophobicContact CD1-CG2 4.08Å; L222-V234 HydrophobicContact CD2-CG1 4.47Å; L230-V234 HydrophobicContact CD1-CG2 4.26Å; L230-V234 WeakPolarHBondContact O-CG2 3.46Å; L230-V234 PolarHBondContact O-N 2.93Å; L230-V234 VanDerWaalsContact O-N 3.12Å; F232-V234 VanDerWaalsContact C-N 3.34Å; F232-V234 PolarHBondContact O-N 3.48Å; V234-Q236 VanDerWaalsContact C-N 3.31Å; V234-Q236 PolarHBondContact O-N 2.68Å; V234-M237 PolarHBondContact O-N 2.95Å; V234-F238 HydrophobicContact CG1-CD2 3.8Å; V234-F238 HydrophobicContact CG1-CE2 3.81Å; V234-F238 VanDerWaalsContact O-CD2 3.24Å; V234-F238 WeakPolarHBondContact O-CD2 3.47Å; V234-F238 PolarHBondContact O-N 2.96Å
235K94.6Very high95.1Very high108 Ų10854.6 Ų54.647%0.4725%0.254SS..Hα-helixtrans-64.2-30.4177.2-70.8163.6-171.6167.50113.4Q231 F232 L233Q231-K235 WeakPolarHBondContact O-CD 3.47Å; Q231-K235 VanDerWaalsContact O-CG 3.23Å; Q231-K235 WeakPolarHBondContact O-CG 3.42Å; Q231-K235 PolarHBondContact O-N 2.83Å; F232-K235 WeakPolarHBondContact O-CA 3.48Å; F232-K235 WeakPolarHBondContact O-CB 3.46Å; F232-K235 PolarHBondContact O-N 3Å; L233-K235 PolarHBondContact O-N 3.37Å
236Q95.1Very high95.1Very high24 Ų2449.5 Ų49.511%0.11223%0.231CC..Hα-helixtrans-76.5-34.8176.8-62.6-66.58.800112.1F232 L233 V234 F238 K239F232-Q236 HydrophobicContact CD1-CG 3.99Å; F232-Q236 HydrophobicContact CE1-CG 3.81Å; F232-Q236 HydrophobicContact CZ-CG 4.27Å; F232-Q236 WeakPolarHBondContact O-CG 3.29Å; F232-Q236 PolarHBondContact O-N 2.92Å; L233-Q236 PolarHBondContact O-N 3.28Å; L233-Q236 VanDerWaalsContact O-N 3.16Å; V234-Q236 VanDerWaalsContact C-N 3.31Å; V234-Q236 PolarHBondContact O-N 2.68Å; Q236-F238 VanDerWaalsContact C-N 3.31Å; Q236-F238 PolarHBondContact O-N 2.83Å; Q236-K239 VanDerWaalsContact O-CG 3.25Å; Q236-K239 WeakPolarHBondContact O-CG 3.29Å; Q236-K239 PolarHBondContact O-N 2.86Å
237M96.7Very high95.1Very high0 Ų050.2 Ų50.20%024%0.237CC..Hα-helixtrans-69.3-29.2176.4-61.9175.884.300112.6F108 I185 L188 G189 L192 L233 V234 R245 L251F108-M237 HydrophobicContact CE2-CE 3.74Å; F108-M237 HydrophobicContact CE2-SD 3.91Å; F108-M237 HydrophobicContact CZ-CE 3.66Å; F108-M237 HydrophobicContact CZ-SD 3.6Å; F108-M237 VanDerWaalsContact CZ-SD 3.6Å; I185-M237 HydrophobicContact CG2-CB 4.47Å; I185-M237 HydrophobicContact CG2-CE 3.93Å; I185-M237 HydrophobicContact CG2-CG 4.23Å; I185-M237 WeakPolarHBondContact O-CE 3.22Å; L188-M237 HydrophobicContact CB-CE 4.04Å; L188-M237 HydrophobicContact CD2-CE 4.16Å; L188-M237 HydrophobicContact CG-CE 3.93Å; G189-M237 VanDerWaalsContact N-CE 3.34Å; L192-M237 HydrophobicContact CD2-SD 4.02Å; L233-M237 HydrophobicContact CD1-CG 4.42Å; L233-M237 HydrophobicContact CD1-SD 4.03Å; L233-M237 HydrophobicContact CG-SD 4.38Å; L233-M237 WeakPolarHBondContact O-CG 3.46Å; L233-M237 PolarHBondContact O-N 3.33Å; L233-M237 VanDerWaalsContact O-N 3.14Å; V234-M237 PolarHBondContact O-N 2.95Å; M237-R245 WeakPolarHBondContact O-CD 3.26Å; M237-L251 HydrophobicContact CE-CD1 4.05Å
238F96.5Very high95Very high11 Ų1148.9 Ų48.95%0.04823%0.228CC..THydrogen-bonded Turntrans-91.321.2177.1-70.2-60.1000115.2W186 G189 Y193 P201 F202 I219 V234 Q236 R240W186-F238 AromaticContact CD2-CD1 3.77Å; W186-F238 HydrophobicContact CD2-CD1 3.77Å; W186-F238 HydrophobicContact CD2-CE1 4.13Å; W186-F238 AromaticContact CE2-CD1 3.77Å; W186-F238 AromaticContact CE2-CE1 3.91Å; W186-F238 AromaticContact CE3-CD1 3.8Å; W186-F238 HydrophobicContact CE3-CD1 3.8Å; W186-F238 HydrophobicContact CG-CD1 4.5Å; W186-F238 HydrophobicContact CG-CE1 4.49Å; W186-F238 AromaticContact CH2-CD1 3.87Å; W186-F238 HydrophobicContact CH2-CD1 3.87Å; W186-F238 AromaticContact CZ2-CD1 3.83Å; W186-F238 HydrophobicContact CZ2-CD1 3.83Å; W186-F238 HydrophobicContact CZ2-CE1 4.22Å; W186-F238 HydrophobicContact CZ3-CB 4.22Å; W186-F238 AromaticContact CZ3-CD1 3.86Å; W186-F238 HydrophobicContact CZ3-CD1 3.86Å; W186-F238 WeakPolarHBondContact CZ3-O 3.35Å; G189-F238 VanDerWaalsContact C-CZ 3.4Å; G189-F238 WeakPolarHBondContact O-CZ 3.5Å; Y193-F238 HydrophobicContact CD2-CE2 4.44Å; P201-F238 HydrophobicContact CB-CE1 4.4Å; P201-F238 HydrophobicContact CB-CE2 4.29Å; P201-F238 HydrophobicContact CB-CZ 3.84Å; P201-F238 HydrophobicContact CG-CE1 4.16Å; P201-F238 HydrophobicContact CG-CZ 3.74Å; F202-F238 AromaticContact CE2-CD1 3.94Å; F202-F238 HydrophobicContact CE2-CD1 3.94Å; F202-F238 AromaticContact CE2-CE1 3.86Å; F202-F238 HydrophobicContact CE2-CE1 3.86Å; F202-F238 HydrophobicContact CZ-CD1 4.28Å; I219-F238 HydrophobicContact CD1-CD2 3.75Å; I219-F238 HydrophobicContact CD1-CE2 4.37Å; I219-F238 HydrophobicContact CD1-CG 4.49Å; I219-F238 HydrophobicContact CG2-CD1 4.48Å; I219-F238 HydrophobicContact CG2-CD2 3.95Å; I219-F238 HydrophobicContact CG2-CE2 4.24Å; I219-F238 HydrophobicContact CG2-CG 4.07Å; V234-F238 HydrophobicContact CG1-CD2 3.8Å; V234-F238 HydrophobicContact CG1-CE2 3.81Å; V234-F238 VanDerWaalsContact O-CD2 3.24Å; V234-F238 WeakPolarHBondContact O-CD2 3.47Å; V234-F238 PolarHBondContact O-N 2.96Å; Q236-F238 VanDerWaalsContact C-N 3.31Å; Q236-F238 PolarHBondContact O-N 2.83Å; F238-R240 PolarHBondContact O-N 3.43Å
239K95.6Very high94.9Very high82 Ų8243.3 Ų43.336%0.35721%0.21SC..  trans-62.7130.1170.1-65.6-75-174.9171.90110.1Q236 H244 R245Q236-K239 VanDerWaalsContact O-CG 3.25Å; Q236-K239 WeakPolarHBondContact O-CG 3.29Å; Q236-K239 PolarHBondContact O-N 2.86Å; K239-H244 HydrophobicContact CB-CB 3.93Å; K239-H244 HydrophobicContact CG-CB 4.15Å; K239-R245 HydrophobicContact CB-CG 4.01Å; K239-R245 PolarHBondContact O-NE 3.48Å; K239-R245 PolarHBondContact O-NH2 2.92Å
240R93.3Very high94.9Very high120 Ų12041.4 Ų41.445%0.45320%0.204SC..SBendtrans-57.4-53.7-178.9177.6179.7158.966.519.1111.8E175 C215 F238 P242 R245E175-R240 IonicContact OE1-CZ 2.68Å; E175-R240 VanDerWaalsContact OE1-CZ 3.31Å; E175-R240 IonicContact OE1-NH1 3.87Å; E175-R240 PolarHBondContact OE1-NH1 3.29Å; E175-R240 IonicContact OE1-NH2 2.86Å; E175-R240 PolarHBondContact OE1-NH2 3.37Å; E175-R240 IonicContact OE2-CZ 3.07Å; E175-R240 IonicContact OE2-NH1 3.94Å; E175-R240 IonicContact OE2-NH2 2.67Å; E175-R240 PolarHBondContact OE2-NH2 2.98Å; C215-R240 PolarHBondContact O-NH1 3.08Å; F238-R240 PolarHBondContact O-N 3.43Å; R240-P242 WeakPolarHBondContact O-CD 3.38Å; R240-R245 PolarHBondContact O-NH2 3.06Å; R240-R245 VanDerWaalsContact O-NH2 3.07Å
241N93.8Very high94.7Very high72 Ų7241.9 Ų41.939%0.38521%0.207SC..SBendtrans-68.2123.7173-17611000110S243 H244N241-S243 VanDerWaalsContact C-N 3.35Å; N241-S243 PolarHBondContact ND2-OG 3.17Å; N241-S243 PolarHBondContact O-N 3.23Å; N241-H244 PolarHBondContact ND2-CD2 2.9Å; N241-H244 PolarHBondContact ND2-NE2 3.44Å; N241-H244 PolarHBondContact O-N 3.39Å
242P94.3Very high94.5Very high20 Ų2039.9 Ų39.913%0.1320%0.197CC..SBendtrans-58.2-38.5180-26.235.4000114.4E172 K182 R240 H244 R245E172-P242 HydrophobicContact CB-CG 4.01Å; E172-P242 HydrophobicContact CG-CG 4.02Å; K182-P242 HydrophobicContact CB-CB 3.96Å; K182-P242 WeakPolarHBondContact CB-O 3.45Å; K182-P242 VanDerWaalsContact CG-O 3.28Å; K182-P242 WeakPolarHBondContact CG-O 3.41Å; R240-P242 WeakPolarHBondContact O-CD 3.38Å; P242-H244 VanDerWaalsContact C-N 3.26Å; P242-H244 PolarHBondContact O-N 2.86Å; P242-R245 WeakPolarHBondContact O-CB 3.47Å; P242-R245 PolarHBondContact O-N 2.95Å
243S95.1Very high94Very high59 Ų5937 Ų3741%0.41319%0.188SC..THydrogen-bonded Turntrans-61.4-35.5-178.161.90000112.5K182 N241 R245K182-S243 PolarHBondContact NZ-O 3.46Å; N241-S243 VanDerWaalsContact C-N 3.35Å; N241-S243 PolarHBondContact ND2-OG 3.17Å; N241-S243 PolarHBondContact O-N 3.23Å; S243-R245 PolarHBondContact O-N 2.93Å; S243-R245 VanDerWaalsContact O-N 3.14Å
244H95.6Very high93.3Very high106 Ų10642.5 Ų42.549%0.49121%0.208SC..THydrogen-bonded Turntrans-70.9-4.5178.8-58.2-173.7000113.9K239 N241 P242K239-H244 HydrophobicContact CB-CB 3.93Å; K239-H244 HydrophobicContact CG-CB 4.15Å; N241-H244 PolarHBondContact ND2-CD2 2.9Å; N241-H244 PolarHBondContact ND2-NE2 3.44Å; N241-H244 PolarHBondContact O-N 3.39Å; P242-H244 VanDerWaalsContact C-N 3.26Å; P242-H244 PolarHBondContact O-N 2.86Å
245R96.8Very high92.6Very high0 Ų045 Ų450%023%0.233CC..SBendtrans-83.4144.2172.3-56.1174.1-163.5149.49.7108.9E172 K182 I185 M237 K239 R240 P242 S243E172-R245 IonicContact OE1-CZ 3.75Å; E172-R245 IonicContact OE1-NH1 3.48Å; E172-R245 PolarHBondContact OE1-NH1 2.98Å; E172-R245 IonicContact OE1-NH2 2.71Å; E172-R245 IonicContact OE2-CZ 2.68Å; E172-R245 IonicContact OE2-NH1 2.73Å; E172-R245 PolarHBondContact OE2-NH1 3.19Å; E172-R245 IonicContact OE2-NH2 2.7Å; E172-R245 PolarHBondContact OE2-NH2 3.02Å; K182-R245 HydrophobicContact CB-CB 4.34Å; K182-R245 WeakPolarHBondContact CD-O 3.42Å; K182-R245 PolarHBondContact NZ-O 3.37Å; K182-R245 VanDerWaalsContact O-CD 3.3Å; K182-R245 WeakPolarHBondContact O-CD 3.39Å; K182-R245 PolarHBondContact O-NH1 3.16Å; I185-R245 HydrophobicContact CG2-CB 4.49Å; M237-R245 WeakPolarHBondContact O-CD 3.26Å; K239-R245 HydrophobicContact CB-CG 4.01Å; K239-R245 PolarHBondContact O-NE 3.48Å; K239-R245 PolarHBondContact O-NH2 2.92Å; R240-R245 PolarHBondContact O-NH2 3.06Å; R240-R245 VanDerWaalsContact O-NH2 3.07Å; P242-R245 WeakPolarHBondContact O-CB 3.47Å; P242-R245 PolarHBondContact O-N 2.95Å; S243-R245 PolarHBondContact O-N 2.93Å; S243-R245 VanDerWaalsContact O-N 3.14Å
246P96.2Very high92Very high13 Ų1341.2 Ų41.28%0.08422%0.218CC..PPolyproline II helixtrans-65.2147.517329-35.6000111.1T250 L251P246-T250 HydrophobicContact CB-CG2 3.85Å; P246-L251 HydrophobicContact CB-CD2 3.98Å; P246-L251 HydrophobicContact CB-CG 4.03Å; P246-L251 HydrophobicContact CG-CD2 3.45Å; P246-L251 VanDerWaalsContact CG-CD2 3.45Å; P246-L251 HydrophobicContact CG-CG 3.84Å
247S96.1Very high91.3Very high21 Ų2140.3 Ų40.315%0.14721%0.214CC..PPolyproline II helixtrans-71.8168.4166.671.80000111.4T249 T250 L251S247-T249 VanDerWaalsContact C-N 3.3Å; S247-T249 PolarHBondContact O-N 3.28Å; S247-T250 PolarHBondContact O-N 3.02Å; S247-T250 PolarHBondContact OG-N 2.8Å; S247-T250 PolarHBondContact OG-OG1 3.13Å; S247-L251 WeakPolarHBondContact O-CG 3.43Å; S247-L251 PolarHBondContact O-N 2.83Å
248A94.4Very high90.5Very high1 Ų140.9 Ų40.91%0.00822%0.219CC..Hα-helixtrans-60.3-39.3174.300000111.9V115 N116 I185 L251 L252V115-A248 HydrophobicContact CG1-CB 4.23Å; N116-A248 HydrophobicContact CB-CB 3.82Å; N116-A248 WeakPolarHBondContact OD1-CB 3.46Å; I185-A248 HydrophobicContact CD1-CB 4.12Å; A248-L251 PolarHBondContact O-N 2.86Å; A248-L252 WeakPolarHBondContact O-CD1 3.38Å; A248-L252 WeakPolarHBondContact O-CG 3.35Å; A248-L252 PolarHBondContact O-N 3.39Å; A248-L252 VanDerWaalsContact O-N 3.08Å
249T91.9Very high89.8Confident36 Ų3648.1 Ų48.122%0.22125%0.246CC..Hα-helixtrans-58-50.8170-50.40000111.5N116 S247 L251 L252 S253 E280N116-T249 PolarHBondContact OD1-N 3.42Å; N116-T249 VanDerWaalsContact OD1-N 3.13Å; N116-T249 PolarHBondContact OD1-OG1 3.46Å; N116-T249 VanDerWaalsContact OD1-OG1 3.1Å; S247-T249 VanDerWaalsContact C-N 3.3Å; S247-T249 PolarHBondContact O-N 3.28Å; T249-L251 VanDerWaalsContact C-N 3.28Å; T249-L251 PolarHBondContact O-N 2.87Å; T249-L252 PolarHBondContact O-N 3.36Å; T249-L252 VanDerWaalsContact O-N 3.09Å; T249-S253 WeakPolarHBondContact O-CB 2.98Å; T249-S253 PolarHBondContact O-N 3.29Å; T249-S253 PolarHBondContact O-OG 3.46Å; T249-E280 VanDerWaalsContact CG2-OE2 3.27Å; T249-E280 WeakPolarHBondContact CG2-OE2 3.13Å
250T91.5Very high88.9Confident42 Ų4245 Ų4526%0.25823%0.233SC..Hα-helixtrans-63.4-33.8-178.7-59.10000112.1P246 S247 R254P246-T250 HydrophobicContact CB-CG2 3.85Å; S247-T250 PolarHBondContact O-N 3.02Å; S247-T250 PolarHBondContact OG-N 2.8Å; S247-T250 PolarHBondContact OG-OG1 3.13Å; T250-R254 WeakPolarHBondContact O-CB 3.49Å; T250-R254 PolarHBondContact O-N 3.18Å
251L92.9Very high87.9Confident10 Ų1039.8 Ų39.85%0.05221%0.214CC..Hα-helixtrans-65.2-42172.1-73.6177.1000112.6F108 I185 L233 M237 P246 S247 A248 T249 V257F108-L251 HydrophobicContact CZ-CD1 4.26Å; I185-L251 HydrophobicContact CD1-CD1 4.07Å; I185-L251 HydrophobicContact CG2-CD1 4.27Å; L233-L251 HydrophobicContact CD1-CD2 3.42Å; L233-L251 VanDerWaalsContact CD1-CD2 3.42Å; M237-L251 HydrophobicContact CE-CD1 4.05Å; P246-L251 HydrophobicContact CB-CD2 3.98Å; P246-L251 HydrophobicContact CB-CG 4.03Å; P246-L251 HydrophobicContact CG-CD2 3.45Å; P246-L251 VanDerWaalsContact CG-CD2 3.45Å; P246-L251 HydrophobicContact CG-CG 3.84Å; S247-L251 WeakPolarHBondContact O-CG 3.43Å; S247-L251 PolarHBondContact O-N 2.83Å; A248-L251 PolarHBondContact O-N 2.86Å; T249-L251 VanDerWaalsContact C-N 3.28Å; T249-L251 PolarHBondContact O-N 2.87Å; L251-V257 VanDerWaalsContact O-CB 3.27Å; L251-V257 WeakPolarHBondContact O-CB 3.34Å; L251-V257 WeakPolarHBondContact O-CG1 3.38Å
252L90Very high86.4Confident1 Ų140.2 Ų40.21%0.00521%0.214CC..Hα-helixtrans-78.6-28.4-177-71.2163.1000113.2T109 C112 L113 N116 A248 T249 V257 A258 V261 Y273T109-L252 HydrophobicContact CG2-CD2 4.34Å; C112-L252 HydrophobicContact CB-CD1 4.17Å; C112-L252 HydrophobicContact CB-CD2 3.63Å; C112-L252 HydrophobicContact CB-CG 3.83Å; L113-L252 HydrophobicContact CD2-CD1 4.18Å; L113-L252 HydrophobicContact CD2-CD2 4.09Å; L113-L252 HydrophobicContact CG-CD1 4.37Å; L113-L252 HydrophobicContact CG-CD2 3.85Å; N116-L252 HydrophobicContact CB-CD1 3.78Å; A248-L252 WeakPolarHBondContact O-CD1 3.38Å; A248-L252 WeakPolarHBondContact O-CG 3.35Å; A248-L252 PolarHBondContact O-N 3.39Å; A248-L252 VanDerWaalsContact O-N 3.08Å; T249-L252 PolarHBondContact O-N 3.36Å; T249-L252 VanDerWaalsContact O-N 3.09Å; L252-V257 HydrophobicContact CD2-CG1 4.01Å; L252-A258 VanDerWaalsContact O-CA 3.29Å; L252-A258 WeakPolarHBondContact O-CA 3.49Å; L252-A258 WeakPolarHBondContact O-CB 3.27Å; L252-V261 HydrophobicContact CD2-CG2 3.93Å; L252-Y273 HydrophobicContact CB-CE1 4.5Å; L252-Y273 WeakPolarHBondContact CB-OH 3.38Å; L252-Y273 HydrophobicContact CD1-CE2 4.07Å; L252-Y273 WeakPolarHBondContact CD1-OH 3.3Å
253S84Confident85Confident31 Ų3146.9 Ų46.922%0.21724%0.241CC..SBendtrans-93.50.4-175.6-62.30000114.8T249T249-S253 WeakPolarHBondContact O-CB 2.98Å; T249-S253 PolarHBondContact O-N 3.29Å; T249-S253 PolarHBondContact O-OG 3.46Å
254R79.8Confident83.3Confident135 Ų13545 Ų4551%0.50923%0.228SC..SBendtrans-131.6158.7-178.3-62.7-171.3176.1-148.4-6.2113.4T250 A258 E474T250-R254 WeakPolarHBondContact O-CB 3.49Å; T250-R254 PolarHBondContact O-N 3.18Å; R254-A258 PolarHBondContact O-N 3.22Å; R254-E474 IonicContact NH2-OE1 2.75Å
255G80.8Confident81.7Confident52 Ų5240.7 Ų40.754%0.53621%0.208SC..Hα-helixtrans59.6-145.9165.900000115.9V257G255-V257 VanDerWaalsContact C-N 3.3Å; G255-V257 PolarHBondContact O-N 3.44Å
256I80.7Confident79.8Confident30 Ų3042.7 Ų42.715%0.15422%0.221CC..Hα-helixtrans-66.6-28.3-175.3-163.3164.2000113.3L105 E229 R259 L260L105-I256 HydrophobicContact CD1-CD1 3.53Å; L105-I256 HydrophobicContact CD1-CG1 3.96Å; L105-I256 HydrophobicContact CD1-CG2 4.49Å; L105-I256 HydrophobicContact CD2-CG2 4.28Å; E229-I256 HydrophobicContact CB-CB 4.18Å; E229-I256 HydrophobicContact CB-CD1 4.32Å; E229-I256 HydrophobicContact CB-CG2 4.21Å; I256-R259 PolarHBondContact O-N 3.05Å; I256-L260 WeakPolarHBondContact O-CG 3.44Å
257V80.9Confident77.8Confident4 Ų446.6 Ų46.62%0.02425%0.246CC..Hα-helixtrans-70.4-45.4-179.8-179.30000110.8F108 T109 L233 L251 L252 G255 R259 L260 V261F108-V257 HydrophobicContact CD1-CG2 4.03Å; F108-V257 HydrophobicContact CE1-CG2 3.96Å; T109-V257 HydrophobicContact CG2-CG1 4.15Å; L233-V257 HydrophobicContact CD2-CG2 4.13Å; L251-V257 VanDerWaalsContact O-CB 3.27Å; L251-V257 WeakPolarHBondContact O-CB 3.34Å; L251-V257 WeakPolarHBondContact O-CG1 3.38Å; L252-V257 HydrophobicContact CD2-CG1 4.01Å; G255-V257 VanDerWaalsContact C-N 3.3Å; G255-V257 PolarHBondContact O-N 3.44Å; V257-R259 PolarHBondContact O-N 3.28Å; V257-L260 CarbonylContact O-C 3.56Å; V257-L260 WeakPolarHBondContact O-CA 3.29Å; V257-L260 WeakPolarHBondContact O-CB 3.28Å; V257-L260 PolarHBondContact O-N 3.06Å; V257-V261 PolarHBondContact O-N 2.95Å
258A81.3Confident75.8Confident12 Ų1251.5 Ų51.510%0.09927%0.267CS..Hα-helixtrans-56.4-38.4176.400000112.6L252 R254 L260L252-A258 VanDerWaalsContact O-CA 3.29Å; L252-A258 WeakPolarHBondContact O-CA 3.49Å; L252-A258 WeakPolarHBondContact O-CB 3.27Å; R254-A258 PolarHBondContact O-N 3.22Å; A258-L260 PolarHBondContact O-N 2.88Å
259R80.9Confident74Confident163 Ų16352.3 Ų52.362%0.61527%0.271SS*.Hα-helixtrans-65.4-16.2174.7-61.1175.8-178.1164.90.3113.6I256 V257I256-R259 PolarHBondContact O-N 3.05Å; V257-R259 PolarHBondContact O-N 3.28Å
260L76.5Confident72.4Confident17 Ų1752.7 Ų52.79%0.08927%0.271CS..Hα-helixtrans-107.4-21.6-177.9-65.6174.8000113.7L105 I256 V257 A258 Q262 K263 C264L105-L260 HydrophobicContact CB-CD1 3.4Å; L105-L260 HydrophobicContact CD1-CD1 3.93Å; L105-L260 HydrophobicContact CG-CD1 4.27Å; I256-L260 WeakPolarHBondContact O-CG 3.44Å; V257-L260 CarbonylContact O-C 3.56Å; V257-L260 WeakPolarHBondContact O-CA 3.29Å; V257-L260 WeakPolarHBondContact O-CB 3.28Å; V257-L260 PolarHBondContact O-N 3.06Å; A258-L260 PolarHBondContact O-N 2.88Å; L260-Q262 PolarHBondContact O-N 3.47Å; L260-K263 HydrophobicContact CD2-CD 3.89Å; L260-K263 WeakPolarHBondContact O-CA 3.24Å; L260-K263 PolarHBondContact O-N 2.83Å; L260-C264 PolarHBondContact O-N 3.14Å; L260-C264 PolarHBondContact O-SG 3.07Å
261V73.4Confident70.6Confident10 Ų1055.6 Ų55.66%0.06128%0.283CS..Hα-helixtrans-49.7-44171.8173.40000110.9T109 L252 V257 K263 C264 L265 Y273T109-V261 HydrophobicContact CG2-CB 4.5Å; T109-V261 HydrophobicContact CG2-CG2 3.8Å; L252-V261 HydrophobicContact CD2-CG2 3.93Å; V257-V261 PolarHBondContact O-N 2.95Å; V261-K263 PolarHBondContact O-N 3.05Å; V261-C264 PolarHBondContact O-N 3.27Å; V261-L265 HydrophobicContact CG1-CD1 3.61Å; V261-L265 HydrophobicContact CG1-CG 4.29Å; V261-L265 WeakPolarHBondContact O-CB 3.45Å; V261-L265 WeakPolarHBondContact O-CG 3.49Å; V261-L265 PolarHBondContact O-N 2.72Å; V261-Y273 HydrophobicContact CG1-CD1 4.16Å; V261-Y273 HydrophobicContact CG1-CE1 4.37Å
262Q62.2Low68.8Low81 Ų8159.3 Ų59.338%0.37930%0.3SS..Hα-helixtrans-65.7-17.8177-60.6-174.83.800115.1L260L260-Q262 PolarHBondContact O-N 3.47Å
263K64.3Low67.3Low160 Ų16060 Ų6070%0.69630%0.303SS*.Hα-helixtrans-100-28.4177.8-59.9-173.5-170.2172.90112.9L260 V261L260-K263 HydrophobicContact CD2-CD 3.89Å; L260-K263 WeakPolarHBondContact O-CA 3.24Å; L260-K263 PolarHBondContact O-N 2.83Å; V261-K263 PolarHBondContact O-N 3.05Å
264C59.1Low66Low21 Ų2158.8 Ų58.814%0.14230%0.295CS..Hα-helixtrans-89.7-18.7-173.4-65.90000113.5N106 T109 Q110 L260 V261N106-C264 PolarHBondContact OD1-SG 2.99Å; T109-C264 HydrophobicContact CG2-CB 4.17Å; Q110-C264 HydrophobicContact CG-CB 4.42Å; L260-C264 PolarHBondContact O-N 3.14Å; L260-C264 PolarHBondContact O-SG 3.07Å; V261-C264 PolarHBondContact O-N 3.27Å
265L61.5Low64.9Low15 Ų1556.4 Ų56.48%0.07929%0.29CS..SBendtrans-99.7128.4-177-70.3-175.6000112.8L113 V261 I269 I270 Y273L113-L265 HydrophobicContact CD1-CD1 4.47Å; L113-L265 HydrophobicContact CD1-CD2 3.43Å; L113-L265 VanDerWaalsContact CD1-CD2 3.43Å; L113-L265 HydrophobicContact CD1-CG 4.02Å; L113-L265 HydrophobicContact CD2-CD1 4.29Å; L113-L265 HydrophobicContact CD2-CD2 4.35Å; V261-L265 HydrophobicContact CG1-CD1 3.61Å; V261-L265 HydrophobicContact CG1-CG 4.29Å; V261-L265 WeakPolarHBondContact O-CB 3.45Å; V261-L265 WeakPolarHBondContact O-CG 3.49Å; V261-L265 PolarHBondContact O-N 2.72Å; L265-I269 HydrophobicContact CB-CB 4.49Å; L265-I269 HydrophobicContact CD1-CB 4.49Å; L265-I269 HydrophobicContact CD1-CG2 4.09Å; L265-I269 HydrophobicContact CD2-CB 3.93Å; L265-I269 HydrophobicContact CD2-CD1 4.5Å; L265-I269 HydrophobicContact CD2-CG2 3.49Å; L265-I269 VanDerWaalsContact CD2-CG2 3.49Å; L265-I269 HydrophobicContact CG-CG2 4.32Å; L265-I270 HydrophobicContact CB-CD1 4.19Å; L265-I270 HydrophobicContact CB-CG1 3.47Å; L265-I270 VanDerWaalsContact CB-CG1 3.47Å; L265-I270 HydrophobicContact CD1-CG1 4.14Å; L265-I270 HydrophobicContact CG-CG1 4.46Å; L265-I270 WeakPolarHBondContact O-CD1 3.17Å; L265-Y273 HydrophobicContact CD1-CG 4.49Å
266P57.2Low63.6Low41 Ų4157 Ų5727%0.26628%0.279SS..  trans-53.8149.9155.2-25.932.4000112.6E268 I269 I270P266-E268 WeakPolarHBondContact CB-OE2 3.46Å; P266-E268 PolarHBondContact O-N 2.83Å; P266-E268 VanDerWaalsContact O-N 3.1Å; P266-I269 HydrophobicContact CB-CD1 4.03Å; P266-I269 HydrophobicContact CG-CD1 3.88Å; P266-I269 PolarHBondContact O-N 3.12Å; P266-I270 PolarHBondContact O-N 3.21Å; P266-I270 VanDerWaalsContact O-N 3.15Å
267P55.5Low62.3Low95 Ų9555.8 Ų55.862%0.61727%0.273SS*.Hα-helixtrans-55.5-32.7-173-26.435.4000114.7I269 I270 M271P267-I269 PolarHBondContact O-N 3.31Å; P267-I270 PolarHBondContact O-N 3.31Å; P267-M271 PolarHBondContact O-N 2.75Å
268E54.2Low60.7Low125 Ų12556.7 Ų56.758%0.58428%0.277SS*.Hα-helixtrans-62.8-33.5-179.1-52.974.8-16200111.5P266 E272P266-E268 WeakPolarHBondContact CB-OE2 3.46Å; P266-E268 PolarHBondContact O-N 2.83Å; P266-E268 VanDerWaalsContact O-N 3.1Å; E268-E272 PolarHBondContact O-N 3.3Å
269I55.5Low59.3Low18 Ų1860.8 Ų60.89%0.09229%0.294CS..Hα-helixtrans-91.5-25.6-179.7-50.9142.6000110.2P60 L265 P266 P267 M271 Y273P60-I269 HydrophobicContact CB-CD1 3.64Å; P60-I269 HydrophobicContact CB-CG1 4.35Å; P60-I269 HydrophobicContact CG-CD1 3.54Å; P60-I269 HydrophobicContact CG-CG1 3.81Å; P60-I269 HydrophobicContact CG-CG2 4.02Å; L265-I269 HydrophobicContact CB-CB 4.49Å; L265-I269 HydrophobicContact CD1-CB 4.49Å; L265-I269 HydrophobicContact CD1-CG2 4.09Å; L265-I269 HydrophobicContact CD2-CB 3.93Å; L265-I269 HydrophobicContact CD2-CD1 4.5Å; L265-I269 HydrophobicContact CD2-CG2 3.49Å; L265-I269 VanDerWaalsContact CD2-CG2 3.49Å; L265-I269 HydrophobicContact CG-CG2 4.32Å; P266-I269 HydrophobicContact CB-CD1 4.03Å; P266-I269 HydrophobicContact CG-CD1 3.88Å; P266-I269 PolarHBondContact O-N 3.12Å; P267-I269 PolarHBondContact O-N 3.31Å; I269-M271 PolarHBondContact O-N 3.08Å; I269-Y273 WeakPolarHBondContact O-CB 3.49Å; I269-Y273 PolarHBondContact O-N 2.91Å
270I58.8Low57.9Low43 Ų4356.2 Ų56.222%0.22128%0.28CS..Hα-helixtrans-61.7-32.8165.9-62.2180000110.2L265 P266 P267 G274 L485L265-I270 HydrophobicContact CB-CD1 4.19Å; L265-I270 HydrophobicContact CB-CG1 3.47Å; L265-I270 VanDerWaalsContact CB-CG1 3.47Å; L265-I270 HydrophobicContact CD1-CG1 4.14Å; L265-I270 HydrophobicContact CG-CG1 4.46Å; L265-I270 WeakPolarHBondContact O-CD1 3.17Å; P266-I270 PolarHBondContact O-N 3.21Å; P266-I270 VanDerWaalsContact O-N 3.15Å; P267-I270 PolarHBondContact O-N 3.31Å; I270-G274 WeakPolarHBondContact O-CA 3.28Å; I270-G274 PolarHBondContact O-N 2.8Å; I270-L485 HydrophobicContact CG2-CD1 4.39Å; I270-L485 HydrophobicContact CG2-CD2 4.23Å; I270-L485 HydrophobicContact CG2-CG 4.31Å
271M54.1Low56.7Low103 Ų10358 Ų5851%0.50729%0.289SS..Hα-helixtrans-69.8-58.4174-166.5171.870.800111.5P267 I269 Y273 G274 E275P267-M271 PolarHBondContact O-N 2.75Å; I269-M271 PolarHBondContact O-N 3.08Å; M271-Y273 PolarHBondContact O-N 2.95Å; M271-G274 PolarHBondContact O-N 3.42Å; M271-E275 WeakPolarHBondContact O-CG 3.28Å; M271-E275 PolarHBondContact O-N 3.43Å
272E55Low55.3Low88 Ų8862.4 Ų62.441%0.41131%0.307SS..Hα-helixtrans-54.4-50.1178.1-173.3177.6-154.400112E268 E276E268-E272 PolarHBondContact O-N 3.3Å; E272-E276 WeakPolarHBondContact O-CG 3.37Å; E272-E276 PolarHBondContact O-N 2.88Å
273Y57.5Low54.5Low16 Ų1662.7 Ų62.76%0.06331%0.311CS..Hα-helixtrans-73.3-32-179.8-162.5-97.3000113.2L113 L252 V261 L265 I269 M271 V277L113-Y273 HydrophobicContact CD2-CD1 4.34Å; L113-Y273 HydrophobicContact CD2-CD2 3.68Å; L113-Y273 HydrophobicContact CD2-CE1 4.36Å; L113-Y273 HydrophobicContact CD2-CE2 3.7Å; L113-Y273 HydrophobicContact CD2-CG 4.04Å; L252-Y273 HydrophobicContact CB-CE1 4.5Å; L252-Y273 WeakPolarHBondContact CB-OH 3.38Å; L252-Y273 HydrophobicContact CD1-CE2 4.07Å; L252-Y273 WeakPolarHBondContact CD1-OH 3.3Å; V261-Y273 HydrophobicContact CG1-CD1 4.16Å; V261-Y273 HydrophobicContact CG1-CE1 4.37Å; L265-Y273 HydrophobicContact CD1-CG 4.49Å; I269-Y273 WeakPolarHBondContact O-CB 3.49Å; I269-Y273 PolarHBondContact O-N 2.91Å; M271-Y273 PolarHBondContact O-N 2.95Å; Y273-V277 HydrophobicContact CD1-CG2 3.93Å; Y273-V277 HydrophobicContact CE1-CG2 3.42Å; Y273-V277 VanDerWaalsContact CE1-CG2 3.42Å; Y273-V277 WeakPolarHBondContact O-CG2 3.27Å; Y273-V277 PolarHBondContact O-N 3.27Å
274G57.4Low53.5Low5 Ų559.2 Ų59.25%0.05231%0.307CS..Hα-helixtrans-69.6-42.2178.100000112.3I270 M271 L278I270-G274 WeakPolarHBondContact O-CA 3.28Å; I270-G274 PolarHBondContact O-N 2.8Å; M271-G274 PolarHBondContact O-N 3.42Å; G274-L278 VanDerWaalsContact O-CB 3.3Å; G274-L278 WeakPolarHBondContact O-CB 3.21Å; G274-L278 WeakPolarHBondContact O-CD1 3.47Å; G274-L278 WeakPolarHBondContact O-CG 3.33Å; G274-L278 PolarHBondContact O-N 3.1Å
275E55.2Low52.6Low86 Ų8665.4 Ų65.440%0.40233%0.332SS..Hα-helixtrans-61.5-48171.8-73.2-178.1-13600111.4M271 V277 L278 E279 W491M271-E275 WeakPolarHBondContact O-CG 3.28Å; M271-E275 PolarHBondContact O-N 3.43Å; E275-V277 PolarHBondContact O-N 3.06Å; E275-L278 WeakPolarHBondContact O-CB 3.38Å; E275-L278 PolarHBondContact O-N 3.2Å; E275-E279 WeakPolarHBondContact O-CG 3.38Å; E275-E279 PolarHBondContact O-N 3.28Å; E275-W491 HydrophobicContact CG-CH2 3.55Å; E275-W491 HydrophobicContact CG-CZ2 3.65Å; E275-W491 WeakPolarHBondContact OE1-CZ2 3.48Å
276E53.5Low51.4Low65 Ų6572 Ų7230%0.30436%0.362SS..Hα-helixtrans-61.2-43.7178.8-78.4-169.3-17200113.7K120 E272 L278 E279 E280K120-E276 WeakPolarHBondContact CD-OE2 3.4Å; K120-E276 WeakPolarHBondContact CE-OE2 3.47Å; K120-E276 IonicContact NZ-OE2 3.65Å; K120-E276 PolarHBondContact NZ-OE2 3.38Å; E272-E276 WeakPolarHBondContact O-CG 3.37Å; E272-E276 PolarHBondContact O-N 2.88Å; E276-L278 VanDerWaalsContact C-N 3.32Å; E276-E279 WeakPolarHBondContact O-CB 3.32Å; E276-E279 PolarHBondContact O-N 3.4Å; E276-E280 PolarHBondContact O-N 3.27Å; E276-E280 VanDerWaalsContact O-N 3.12Å
277V54.1Low50.3Low4 Ų474.6 Ų74.62%0.02437%0.374CS..Hα-helixtrans-71.1-30.8177.6173.70000111.3Y273 E275 E280 I281 W481Y273-V277 HydrophobicContact CD1-CG2 3.93Å; Y273-V277 HydrophobicContact CE1-CG2 3.42Å; Y273-V277 VanDerWaalsContact CE1-CG2 3.42Å; Y273-V277 WeakPolarHBondContact O-CG2 3.27Å; Y273-V277 PolarHBondContact O-N 3.27Å; E275-V277 PolarHBondContact O-N 3.06Å; V277-E280 PolarHBondContact O-N 3.01Å; V277-I281 HydrophobicContact CG1-CD1 3.65Å; V277-I281 HydrophobicContact CG1-CG1 4.21Å; V277-I281 WeakPolarHBondContact O-CB 3.46Å; V277-I281 VanDerWaalsContact O-CG1 3.3Å; V277-I281 WeakPolarHBondContact O-CG1 3.29Å; V277-I281 PolarHBondContact O-N 3.38Å; V277-W481 HydrophobicContact CG1-CH2 3.9Å; V277-W481 HydrophobicContact CG1-CZ2 4.31Å
278L47.1Very low49Very low22 Ų2274.8 Ų74.812%0.11537%0.373CS..Hα-helixtrans-65.1-36.9171.6-78.8168.4000112.2G274 E275 E276 K282 V482 K486G274-L278 VanDerWaalsContact O-CB 3.3Å; G274-L278 WeakPolarHBondContact O-CB 3.21Å; G274-L278 WeakPolarHBondContact O-CD1 3.47Å; G274-L278 WeakPolarHBondContact O-CG 3.33Å; G274-L278 PolarHBondContact O-N 3.1Å; E275-L278 WeakPolarHBondContact O-CB 3.38Å; E275-L278 PolarHBondContact O-N 3.2Å; E276-L278 VanDerWaalsContact C-N 3.32Å; L278-K282 WeakPolarHBondContact O-CD 3.4Å; L278-K282 WeakPolarHBondContact O-CE 3.31Å; L278-K282 WeakPolarHBondContact O-CG 3.41Å; L278-K282 PolarHBondContact O-N 2.69Å; L278-V482 HydrophobicContact CD2-CG1 3.34Å; L278-V482 HydrophobicContact CG-CG1 4.36Å; L278-K486 HydrophobicContact CD1-CG 4.16Å; L278-K486 HydrophobicContact CD2-CD 4.49Å; L278-K486 HydrophobicContact CD2-CG 4.41Å
279E53Low47.9Very low99 Ų9974.5 Ų74.546%0.46338%0.382SS..Hα-helixtrans-63.1-51.5171.8-71.7-75.7100.400111.5E275 E276 I281 K282 N283E275-E279 WeakPolarHBondContact O-CG 3.38Å; E275-E279 PolarHBondContact O-N 3.28Å; E276-E279 WeakPolarHBondContact O-CB 3.32Å; E276-E279 PolarHBondContact O-N 3.4Å; E279-I281 VanDerWaalsContact C-N 3.34Å; E279-I281 PolarHBondContact O-N 2.96Å; E279-K282 WeakPolarHBondContact O-CB 3.46Å; E279-K282 PolarHBondContact O-N 3.39Å; E279-K282 VanDerWaalsContact O-N 3.12Å; E279-K282 IonicContact OE1-NZ 2.75Å; E279-K282 PolarHBondContact OE1-NZ 3.18Å; E279-N283 VanDerWaalsContact O-CG 3.26Å; E279-N283 PolarHBondContact O-N 3.31Å; E279-N283 PolarHBondContact O-ND2 3.19Å
280E51.8Low46.7Very low67 Ų6785.1 Ų85.131%0.31342%0.421SS..Hα-helixtrans-62.4-38.4-177.6-74.3170.9-177.700112.6K120 T249 E276 V277 N283 S284K120-E280 WeakPolarHBondContact CE-OE1 3.39Å; K120-E280 VanDerWaalsContact NZ-CD 3.33Å; K120-E280 IonicContact NZ-OE1 2.69Å; K120-E280 PolarHBondContact NZ-OE1 3.41Å; K120-E280 IonicContact NZ-OE2 2.68Å; K120-E280 PolarHBondContact NZ-OE2 2.87Å; T249-E280 VanDerWaalsContact CG2-OE2 3.27Å; T249-E280 WeakPolarHBondContact CG2-OE2 3.13Å; E276-E280 PolarHBondContact O-N 3.27Å; E276-E280 VanDerWaalsContact O-N 3.12Å; V277-E280 PolarHBondContact O-N 3.01Å; E280-N283 PolarHBondContact O-N 3.44Å; E280-S284 WeakPolarHBondContact O-CB 3.47Å; E280-S284 PolarHBondContact O-N 2.72Å
281I50.8Low45.3Very low53 Ų5392.4 Ų92.427%0.27245%0.451SS..Hα-helixtrans-71.2-29.5176-67.5175.1000112.4V277 E279 K285 V482V277-I281 HydrophobicContact CG1-CD1 3.65Å; V277-I281 HydrophobicContact CG1-CG1 4.21Å; V277-I281 WeakPolarHBondContact O-CB 3.46Å; V277-I281 VanDerWaalsContact O-CG1 3.3Å; V277-I281 WeakPolarHBondContact O-CG1 3.29Å; V277-I281 PolarHBondContact O-N 3.38Å; E279-I281 VanDerWaalsContact C-N 3.34Å; E279-I281 PolarHBondContact O-N 2.96Å; I281-K285 HydrophobicContact CG2-CD 4.44Å; I281-K285 WeakPolarHBondContact O-CD 3.38Å; I281-K285 VanDerWaalsContact O-CG 3.29Å; I281-K285 WeakPolarHBondContact O-CG 3.24Å; I281-K285 PolarHBondContact O-N 3.03Å; I281-V482 HydrophobicContact CD1-CG2 3.75Å
282K44.3Very low44.2Very low103 Ų10396.8 Ų96.845%0.44847%0.467SS..Hα-helixtrans-68.7-47.4169.9-68.3162.4-157.6167.90110.7L278 E279 K285 H286L278-K282 WeakPolarHBondContact O-CD 3.4Å; L278-K282 WeakPolarHBondContact O-CE 3.31Å; L278-K282 WeakPolarHBondContact O-CG 3.41Å; L278-K282 PolarHBondContact O-N 2.69Å; E279-K282 WeakPolarHBondContact O-CB 3.46Å; E279-K282 PolarHBondContact O-N 3.39Å; E279-K282 VanDerWaalsContact O-N 3.12Å; E279-K282 IonicContact OE1-NZ 2.75Å; E279-K282 PolarHBondContact OE1-NZ 3.18Å; K282-K285 WeakPolarHBondContact O-CA 3.5Å; K282-K285 WeakPolarHBondContact O-CB 3.46Å; K282-K285 PolarHBondContact O-N 3.29Å; K282-K285 VanDerWaalsContact O-N 3.1Å; K282-H286 PolarHBondContact O-N 3.3Å
283N44.5Very low43Very low88 Ų8898.6 Ų98.647%0.47148%0.484SS..Hα-helixtrans-65.8-43.9-174.4-67-23.2000111.6E279 E280 K285 H286 N287E279-N283 VanDerWaalsContact O-CG 3.26Å; E279-N283 PolarHBondContact O-N 3.31Å; E279-N283 PolarHBondContact O-ND2 3.19Å; E280-N283 PolarHBondContact O-N 3.44Å; N283-K285 PolarHBondContact O-N 3.16Å; N283-H286 PolarHBondContact O-N 2.87Å; N283-N287 PolarHBondContact O-N 3.42Å
284S43.7Very low41.5Very low87 Ų87104.1 Ų104.161%0.60852%0.515SS*.Hα-helixtrans-55.8-37.5171.2176.60000112.6E280 H286E280-S284 WeakPolarHBondContact O-CB 3.47Å; E280-S284 PolarHBondContact O-N 2.72Å; S284-H286 VanDerWaalsContact C-N 3.29Å; S284-H286 PolarHBondContact O-N 2.86Å
285K40.8Very low40.3Very low150 Ų150110.4 Ų110.465%0.65256%0.555SS**Hα-helixtrans-74.4-12.2176.1-73.2176.1-179.8-178.70114.4I281 K282 N283I281-K285 HydrophobicContact CG2-CD 4.44Å; I281-K285 WeakPolarHBondContact O-CD 3.38Å; I281-K285 VanDerWaalsContact O-CG 3.29Å; I281-K285 WeakPolarHBondContact O-CG 3.24Å; I281-K285 PolarHBondContact O-N 3.03Å; K282-K285 WeakPolarHBondContact O-CA 3.5Å; K282-K285 WeakPolarHBondContact O-CB 3.46Å; K282-K285 PolarHBondContact O-N 3.29Å; K282-K285 VanDerWaalsContact O-N 3.1Å; N283-K285 PolarHBondContact O-N 3.16Å
286H36.5Very low39.2Very low154 Ų154110.9 Ų110.971%0.71357%0.568SS**Hα-helixtrans-101.4-24.9179.1-76.5-21.8000114.6K282 N283 S284K282-H286 PolarHBondContact O-N 3.3Å; N283-H286 PolarHBondContact O-N 2.87Å; S284-H286 VanDerWaalsContact C-N 3.29Å; S284-H286 PolarHBondContact O-N 2.86Å
287N33Very low38.4Very low96 Ų96119.1 Ų119.151%0.51360%0.596SS.*Hα-helixtrans-81.2-11.3179.4-79.24.4000115N283 P289 E467N283-N287 PolarHBondContact O-N 3.42Å; N287-P289 WeakPolarHBondContact O-CD 3.39Å; N287-E467 PolarHBondContact ND2-OE1 3.3Å
288T28.4Very low37.4Very low99 Ų99127 Ų12761%0.60764%0.637SS**  trans-61.9117.8-178.853.60000113R290T288-R290 PolarHBondContact O-N 2.9Å; T288-R290 VanDerWaalsContact O-N 3.1Å
289P31.3Very low36.5Very low119 Ų119137.3 Ų137.377%0.77367%0.674SS**  trans-70.7112.2178.5-18.432.8000110.3N287 K291N287-P289 WeakPolarHBondContact O-CD 3.39Å; P289-K291 PolarHBondContact O-N 3.09Å
290R30Very low35.4Very low241 Ų241140.9 Ų140.991%0.90969%0.694SS**  trans-57.195.3173.3-87.4-179.4162.8172.5-4.8110.8T288 K292T288-R290 PolarHBondContact O-N 2.9Å; T288-R290 VanDerWaalsContact O-N 3.1Å; R290-K292 PolarHBondContact O-N 2.93Å
291K29.6Very low34.2Very low195 Ų195142.1 Ų142.185%0.84872%0.716SS**  trans-57.1108.3167.6-78.4-179.6179.21700108.5P289 T293P289-K291 PolarHBondContact O-N 3.09Å; K291-T293 VanDerWaalsContact C-N 3.34Å; K291-T293 PolarHBondContact O-N 2.69Å
292K29.9Very low33Very low195 Ų195148 Ų14885%0.84875%0.747SS**  trans-68.889.2173.9-72.1-178.8177.7176.80109.7R290 N294R290-K292 PolarHBondContact O-N 2.93Å; K292-N294 PolarHBondContact O-N 3.05Å
293T30.1Very low32.2Very low126 Ų126146 Ų14677%0.77376%0.756SS**  trans-70113.2164.7400000108.7K291 P295K291-T293 VanDerWaalsContact C-N 3.34Å; K291-T293 PolarHBondContact O-N 2.69Å; T293-P295 VanDerWaalsContact O-CD 3.28Å; T293-P295 WeakPolarHBondContact O-CD 3.36Å
294N27.1Very low31.4Very low133 Ų133148 Ų14871%0.71177%0.767SS**  trans-67.2117.8-180-79.2-24.3000110.7K292 S296K292-N294 PolarHBondContact O-N 3.05Å; N294-S296 VanDerWaalsContact C-N 3.26Å; N294-S296 PolarHBondContact O-N 2.6Å
295P32.1Very low30.7Very low136 Ų136152.1 Ų152.188%0.88378%0.776SS**  trans-84.465.5-177.735.3-34.9000110.9T293T293-P295 VanDerWaalsContact O-CD 3.28Å; T293-P295 WeakPolarHBondContact O-CD 3.36Å
296S32.6Very low30Very low96 Ų96149.4 Ų149.467%0.67178%0.782SS**  trans-138.132.4-173.358.30000115.5N294N294-S296 VanDerWaalsContact C-N 3.26Å; N294-S296 PolarHBondContact O-N 2.6Å
297R36.7Very low29.5Very low238 Ų238148 Ų14890%0.89879%0.79SS**SBendtrans-158.591.2157.8-111168-169.6-178.32.5111.9
298I32.6Very low29.1Very low171 Ų171149.8 Ų149.888%0.87780%0.804SS**  trans173.1111143.1-87.7151.9000106.9
299R28.1Very low29.1Very low238 Ų238151.9 Ų151.990%0.89882%0.816SS**  trans-155163.1166.1-93.8-165.5177.1-170.3-0.5106.1
300I29.2Very low28.9Very low173 Ų173153.9 Ų153.989%0.88782%0.815SS**  trans74.7109-163.6-49.6165000109.6
301A26.8Very low28.7Very low93 Ų93150.6 Ų150.677%0.76981%0.81SS**  cis-146.9155.1-6.800000112.1
302L27Very low28.5Very low176 Ų176149.5 Ų149.592%0.92181%0.808SS**  trans-106.5156.5161.5-90.6165.5000108.7
303G26.2Very low28.3Very low62 Ų62147 Ų14764%0.63980%0.799SS**  trans160.180.2-175.800000106.9
304N28.2Very low28.1Very low131 Ų131148.2 Ų148.270%0.70180%0.796SS**  73129.190.5-69.440.2000110.5
305E27.9Very low28Very low172 Ų172146.7 Ų146.780%0.80479%0.788SS**  cis-149.6167.87.6-113150.7-128.900110.2
306A27Very low27.8Very low93 Ų93149.6 Ų149.677%0.76978%0.781SS**  trans-96.7140.3175.100000111.1
307S26.5Very low27.4Very low126 Ų126154 Ų15488%0.88179%0.789SS**  trans-159140.3157.8-83.80000112
308T24.9Very low26.8Very low133 Ų133145.9 Ų145.982%0.81678%0.779SS**  trans-88.9138.3-175.5-19.30000111.7
309V28.3Very low26.5Very low142 Ų142143 Ų14386%0.86177%0.774SS**  trans-143.8150155.7-173.30000107.7
310Q25.3Very low26.4Very low161 Ų161139.6 Ų139.675%0.75277%0.768SS**  trans-110-179.2175.7-64-179.1-99.100110.2
311E26.4Very low26.2Very low173 Ų173135.7 Ų135.781%0.80875%0.752SS**  trans71.5147.5171.8-63.8152.3-167.300113.7
312E26.5Very low26.2Very low171 Ų171137.6 Ų137.680%0.79975%0.749SS**  cis-150.3-165.92.7-133176.2-170.100113.5
313E25.3Very low26.2Very low142 Ų142135.7 Ų135.766%0.66474%0.74SS**  trans-53.3152.3-164.8-72.2-166.8128.400122.8
314Q25Very low26.3Very low152 Ų152141 Ų14171%0.7175%0.748SS**  trans54.6159.2132.3-55.6-1784100119.8
315D25.5Very low26.3Very low101 Ų101139 Ų13954%0.5474%0.744SS.*  cis-164.7165.132.4-169.59000111.7
316R27.1Very low26.4Very low197 Ų197137.9 Ų137.974%0.74374%0.742SS**  trans61.1157.7157.4-82.1167.7-142.8-164.313.7121.4
317K24.3Very low26.5Very low189 Ų189140.2 Ų140.282%0.82274%0.741SS**  cis-166.5144.2-32.3-128.9-174.2-170.1173.60110.3
318G25.2Very low26.5Very low67 Ų67141.7 Ų141.769%0.69174%0.735SS**  trans70.2169.4159.500000116.8
319S25.5Very low26.6Very low111 Ų111142 Ų14278%0.77673%0.731SS**  cis162.4139.3-35.147.60000108.8
320H26.1Very low26.7Very low166 Ų166143.2 Ų143.277%0.76973%0.732SS**  trans84.9116.1151.4-112.9-95.3000121.2
321T26.3Very low26.9Very low91 Ų91142.7 Ų142.756%0.55874%0.739SS**  trans69.8114.2137.742.90000122.8
322D26.2Very low27Very low133 Ų133143.8 Ų143.871%0.71175%0.745SS**  93.6126115.9-63.7-5.9000123.4
323L27.1Very low27.1Very low137 Ų137141.5 Ų141.572%0.71775%0.747SS**  trans59.6123137.2-72.2161.7000121
324E28.4Very low27.2Very low173 Ų173138.9 Ų138.981%0.80875%0.75SS**  trans66.4147.5146.3-65.2174.8-175.300117.9
325S27.3Very low27.3Very low89 Ų89138.9 Ų138.962%0.62275%0.754SS**  cis-162.4177.1-22.156.20000107.8
326I29.8Very low27.3Very low149 Ų149144.7 Ų144.776%0.76477%0.768SS**  trans62.2105.6165.7-51.6157.8000115.2
327N29.5Very low27.3Very low141 Ų141146.2 Ų146.275%0.75477%0.774SS**  -159.714088.5-161.228.3000113
328E27.4Very low27.4Very low158 Ų158143.7 Ų143.774%0.73877%0.774SS**  trans-72.9153.5178.3-58166.1150.100111.4
329N26.9Very low27.4Very low140 Ų140147.7 Ų147.775%0.74978%0.78SS**  155.6107.7125.1-89.9-77.9000111.4
330L28.8Very low27.4Very low167 Ų167152.1 Ų152.187%0.87478%0.779SS**SBendtrans176.927.1145.9-101.2164.3000115.1
331V30.3Very low27.5Very low150 Ų150150.8 Ų150.891%0.90977%0.774SS**  trans-125.754.9177.6-164.90000111.6
332E28.8Very low27.6Very low196 Ų196153.4 Ų153.492%0.91678%0.779SS**  trans-147.364.2172.7-159.7161.9-144.700112.7
333S28.3Very low27.6Very low122 Ų122154.9 Ų154.985%0.85378%0.779SS**  trans-135.523.4178.658.70000114
334A27.9Very low27.5Very low87 Ų87152.1 Ų152.172%0.71978%0.777SS**SBendtrans-131.4114.8176.800000112.7
335L25.8Very low27.3Very low152 Ų152149.7 Ų149.780%0.79678%0.779SS**  trans84.5121.7165.3-60.1159.7000119.6
336R26.3Very low27.3Very low223 Ų223150.9 Ų150.984%0.84279%0.787SS**  trans76.9135.9155.3-61.5162.4-172.6-145.4-0.3115.1
337R26.9Very low27.7Very low229 Ų229148.8 Ų148.886%0.86478%0.783SS**  cis-132.1179.34-92136.2163.5-173.2-5.5108.1
338V26.5Very low27.7Very low136 Ų136148.7 Ų148.782%0.82478%0.783SS**  -161.2154.750.1167.80000110.2
339N24.6Very low27.6Very low152 Ų152149.8 Ų149.881%0.81379%0.793SS**  trans-82.5153.9175.9-56.3-23.8000112.8
340R26.3Very low27.8Very low203 Ų203151 Ų15177%0.76679%0.794SS**  -170.3127.7126.9-104.4-173.2155.4172.2-15.3111
341E28.3Very low27.8Very low138 Ų138154.1 Ų154.165%0.64579%0.794SS**  60.2126101.7-70.1170-147.700112.5
342E29Very low27.8Very low146 Ų146157.9 Ų157.968%0.68279%0.792SS**  cis-156.6-177.50.1-102-161.4128.900107.1
343K25.8Very low28Very low164 Ų164157.1 Ų157.171%0.71379%0.788SS**  cis-157.9178.27.5-133171.7179.479.70105.6
344A24.2Very low28.2Very low80 Ų80163.4 Ų163.466%0.66179%0.793SS**  cis-158.2-160.11.800000109.4
345S25.6Very low28.6Very low122 Ų122167.7 Ų167.785%0.85380%0.798SS**  trans66.913616874.80000120
346S26.4Very low29.4Very low114 Ų114170.5 Ų170.580%0.79780%0.804SS**  trans-147.4-170.7-166-40.30000107.9
347P39Very low30Very low105 Ų105166.9 Ų166.968%0.68280%0.801SS**  cis-140163.6-1.135.5-13.9000118.3
348N27.9Very low30.9Very low138 Ų138161.7 Ų161.774%0.73880%0.795SS**  trans53.6113.6142-59-7000122.2
349L26.3Very low31.7Very low181 Ų181160.1 Ų160.195%0.94879%0.788SS**  trans-89.4120.1150.6-87.6162.4000110.6
350H30Very low33Very low167 Ų167157.7 Ų157.777%0.77378%0.775SS**  trans-79.1120.7168.7-87.9-92.6000111.2R352H350-R352 PolarHBondContact O-N 3.42Å; H350-R352 VanDerWaalsContact O-N 3.11Å
351R29.2Very low34.4Very low232 Ų232153.1 Ų153.188%0.87577%0.769SS**  trans-61.3108.2167.8175.6-173.3-73.2-150.1-2.9109.6
352R31.8Very low35.1Very low229 Ų229149.9 Ų149.986%0.86477%0.766SS**PPolyproline II helixtrans-83.9133.8159.7-76.6-174.1169.8-177.3-3.7109.4H350H350-R352 PolarHBondContact O-N 3.42Å; H350-R352 VanDerWaalsContact O-N 3.11Å
353Q32.6Very low36Very low180 Ų180148.4 Ų148.484%0.84176%0.762SS**PPolyproline II helixtrans-77.8150170.4-68.9162.6-67.500109.2
354W31Very low37.1Very low253 Ų253143.9 Ų143.996%0.95875%0.749SS**PPolyproline II helixtrans-91.9126.6167.1-68.984.5000108.4
355E38.3Very low38.1Very low178 Ų178143.3 Ų143.383%0.83274%0.744SS**PPolyproline II helixtrans-73.9147.9176.6-65.2-172.9142.100111.3N357E355-N357 PolarHBondContact O-N 3.48Å
356K42.3Very low39.2Very low211 Ų211143.8 Ų143.892%0.91774%0.736SS**  trans-80.792.3172.8-73-175.4175.9-178.10110.1
357N38.8Very low40.1Very low146 Ų146145.8 Ų145.878%0.78173%0.733SS**  trans-146.8145.3161.1-89.2-47.1000110.7E355E355-N357 PolarHBondContact O-N 3.48Å
358V44.1Very low40.4Very low120 Ų120147 Ų14773%0.72773%0.734SS**  trans-92.2126.7-179.5-179.20000109.4N360V358-N360 PolarHBondContact O-N 3.26Å; V358-N360 VanDerWaalsContact O-N 3.1Å
359P44.9Very low41.3Very low104 Ų104143.4 Ų143.468%0.67572%0.723SS**  trans-75.299.4174.129.7-32.6000110.3T361P359-T361 PolarHBondContact O-N 3.01Å
360N50.8Low41.7Very low100 Ų100140.3 Ų140.354%0.53572%0.716SS.*THydrogen-bonded Turntrans-67.11.7-176.7-103.69.7000115.5V358 A362 L363 T364V358-N360 PolarHBondContact O-N 3.26Å; V358-N360 VanDerWaalsContact O-N 3.1Å; N360-A362 PolarHBondContact O-N 2.97Å; N360-A362 VanDerWaalsContact O-N 3.09Å; N360-L363 PolarHBondContact O-N 2.98Å; N360-L363 VanDerWaalsContact O-N 3.07Å; N360-T364 PolarHBondContact O-N 3.37Å; N360-T364 PolarHBondContact O-OG1 3.32Å
361T57Low42.7Very low107 Ų107139.7 Ų139.766%0.65672%0.717SS**Hα-helixtrans-59.6-23-172.3-27.40000114.7P359 T364 A365P359-T361 PolarHBondContact O-N 3.01Å; T361-T364 PolarHBondContact O-OG1 3.37Å; T361-A365 WeakPolarHBondContact O-CB 3.5Å
362A42.8Very low42.9Very low70 Ų70135.9 Ų135.958%0.57971%0.713SS**Hα-helixtrans-83-28.7177.800000113.4N360N360-A362 PolarHBondContact O-N 2.97Å; N360-A362 VanDerWaalsContact O-N 3.09Å
363L47.8Very low42.8Very low115 Ų115131.6 Ų131.660%0.60271%0.713SS**Hα-helixtrans-76.5-45.6178-76.5168000110.7N360 A365 L366 E367N360-L363 PolarHBondContact O-N 2.98Å; N360-L363 VanDerWaalsContact O-N 3.07Å; L363-A365 PolarHBondContact O-N 3.19Å; L363-L366 PolarHBondContact O-N 3.33Å; L363-E367 WeakPolarHBondContact O-CB 3.46Å; L363-E367 PolarHBondContact O-N 3.15Å
364T49.5Very low42.8Very low69 Ų69128.5 Ų128.542%0.42371%0.711SS.*Hα-helixtrans-64.7-23.6176.951.60000113.2N360 T361 N368N360-T364 PolarHBondContact O-N 3.37Å; N360-T364 PolarHBondContact O-OG1 3.32Å; T361-T364 PolarHBondContact O-OG1 3.37Å; T364-N368 PolarHBondContact O-ND2 3.24Å
365A44.6Very low42.8Very low68 Ų68121.9 Ų121.956%0.56270%0.704SS**Hα-helixtrans-74.3-27.6172.300000113.6T361 L363T361-A365 WeakPolarHBondContact O-CB 3.5Å; L363-A365 PolarHBondContact O-N 3.19Å
366L48.7Very low42.8Very low133 Ų133121.3 Ų121.370%0.69671%0.706SS**Hα-helixtrans-86.6-35.3176.1-78.3163.9000112.2L363 N368 A369L363-L366 PolarHBondContact O-N 3.33Å; L366-N368 PolarHBondContact O-N 3.19Å; L366-A369 PolarHBondContact O-N 3.19Å
367E44.8Very low42.4Very low155 Ų155117.9 Ų117.972%0.72470%0.702SS**Hα-helixtrans-62.4-23.9179.6-170.8169.8-14900113.6L363L363-E367 WeakPolarHBondContact O-CB 3.46Å; L363-E367 PolarHBondContact O-N 3.15Å
368N46Very low42Very low132 Ų132115.4 Ų115.471%0.70670%0.702SS**THydrogen-bonded Turntrans-1049.3-178.8-68.6-83000114T364 L366 S370T364-N368 PolarHBondContact O-ND2 3.24Å; L366-N368 PolarHBondContact O-N 3.19Å; N368-S370 PolarHBondContact O-N 2.89Å
369A45.4Very low41.7Very low61 Ų61119.2 Ų119.250%0.50471%0.712SS.*  trans-83.3106178.200000111.2L366 I371L366-A369 PolarHBondContact O-N 3.19Å; A369-I371 PolarHBondContact O-N 3.25Å
370S35.5Very low41.1Very low116 Ų116121.4 Ų121.481%0.81172%0.718SS**  trans-66.2117.8-179.256.50000112.5N368N368-S370 PolarHBondContact O-N 2.89Å
371I51Low40.3Very low154 Ų154122.9 Ų122.979%0.7973%0.726SS**  trans-85.4146.8175.7-56.8174.7000109.3A369A369-I371 PolarHBondContact O-N 3.25Å
372L33.3Very low39.1Very low152 Ų152128.5 Ų128.580%0.79674%0.735SS**  trans73.9119.5-163.8-47.3173.6000111.3
373T29.8Very low38.5Very low139 Ų139128.9 Ų128.985%0.85375%0.745SS**  -158.8147.375.6-64.20000111.4
374S33.3Very low37.8Very low115 Ų115127.5 Ų127.580%0.80476%0.759SS**  trans-95.1126171.752.50000112.1
375S29.4Very low36.9Very low115 Ų115129.6 Ų129.680%0.80478%0.776SS**  trans-160.8157.1157.2-163.20000112.1
376L39.5Very low36.2Very low166 Ų166132.5 Ų132.587%0.86979%0.787SS**  trans-98125.6170.8-77.6160.6000110.4
377T33.1Very low35.8Very low139 Ų139132.4 Ų132.485%0.85379%0.786SS**  trans-169.6148.7158.1420000107.1
378A31.4Very low35.1Very low94 Ų94134 Ų13478%0.77779%0.79SS**  cis-158.6178-19.300000106.5
379E37.1Very low34.4Very low200 Ų200137.9 Ų137.994%0.93580%0.797SS**  trans-68.9140175.1-59.2-178.615600112.3
380D32.8Very low33.8Very low150 Ų150139.9 Ų139.980%0.80281%0.807SS**  trans-149.1148.9136.4-163.95.9000108.9R382D380-R382 IonicContact OD1-NH2 3.76Å
381D33.4Very low33.7Very low130 Ų130143.5 Ų143.570%0.69581%0.808SS**  trans-125111.9-164.9179.321.1000110.6
382R33.1Very low33.3Very low226 Ų226144.1 Ų144.185%0.85381%0.813SS**  trans177.8148.2150.5-104.7153.5-68.6-143.8-4.9113.8D380D380-R382 IonicContact OD1-NH2 3.76Å
383G29.1Very low33.3Very low77 Ų77143.6 Ų143.679%0.79482%0.816SS**  trans10370.9149.100000116.9
384G32.5Very low33.7Very low86 Ų86143.5 Ų143.589%0.88782%0.816SS**  trans-68.8142171.100000113.6
385S31.6Very low33.8Very low113 Ų113150.1 Ų150.179%0.7982%0.823SS**  trans-146.4127.7168.4-1720000111.1
386V29.2Very low34.6Very low129 Ų129154.1 Ų154.178%0.78283%0.826SS**  trans-94.6104.8-174.4176.20000110.4K388V386-K388 PolarHBondContact O-N 2.69Å; V386-K388 VanDerWaalsContact O-N 3.1Å
387I39.6Very low34.6Very low132 Ų132155.3 Ų155.368%0.67783%0.827SS**  trans-75.598.9175-58.4-179.4000109.7Y389I387-Y389 HydrophobicContact CG2-CD2 4.38Å; I387-Y389 HydrophobicContact CG2-CE2 4.03Å; I387-Y389 PolarHBondContact O-N 3.17Å
388K30Very low34.9Very low188 Ų188160.5 Ų160.582%0.81783%0.831SS**  trans-72.4104169.5-74.7-177176.6177.30110.6V386V386-K388 PolarHBondContact O-N 2.69Å; V386-K388 VanDerWaalsContact O-N 3.1Å
389Y33Very low35.7Very low214 Ų214164 Ų16484%0.83984%0.836SS**  trans-67.4131.8162-74.2-83000110.2I387I387-Y389 HydrophobicContact CG2-CD2 4.38Å; I387-Y389 HydrophobicContact CG2-CE2 4.03Å; I387-Y389 PolarHBondContact O-N 3.17Å
390S31.7Very low36.1Very low103 Ų103164.5 Ų164.572%0.7284%0.835SS**  trans-128.314417778.90000111.5
391K34.4Very low36.8Very low192 Ų192165.9 Ų165.984%0.83584%0.837SS**SBendtrans66.6107.6173.8-62.8-178.3176.71780117.8
392N41.1Very low37.4Very low166 Ų166165.2 Ų165.289%0.88884%0.837SS**  trans30.997.3138.5-617.9000118.7
393T33.6Very low38.2Very low142 Ų142158.7 Ų158.787%0.87182%0.824SS**PPolyproline II helixtrans-100.4135.3145.3270000109.8
394T38.5Very low39.4Very low136 Ų136161 Ų16183%0.83482%0.818SS**PPolyproline II helixtrans-71.3139.1177.338.30000111.2K396T394-K396 PolarHBondContact O-N 3.07Å
395R35.1Very low40.6Very low255 Ų255161.5 Ų161.596%0.96281%0.805SS**PPolyproline II helixtrans-58.8118.7178.3-119.3178.6-173.4167.22.1109.5
396K46.8Very low41.2Very low199 Ų199161.5 Ų161.587%0.86580%0.795SS**PPolyproline II helixtrans-68.6136.4171.3-68.8-172-177.9-178.20109.6T394T394-K396 PolarHBondContact O-N 3.07Å
397Q39.9Very low42.3Very low190 Ų190160.5 Ų160.589%0.88879%0.785SS**PPolyproline II helixtrans-83.4134.6-178-162.8169.89.200109.7
398W39Very low42.8Very low248 Ų248158.5 Ų158.594%0.93978%0.775SS**PPolyproline II helixtrans-74132.3178.4-65.493.6000110.6
399L48.7Very low43.7Very low168 Ų168154.7 Ų154.788%0.8876%0.763SS**PPolyproline II helixtrans-77.8149.8169.5-84.4158.5000110.3E401L399-E401 VanDerWaalsContact C-N 3.34Å; L399-E401 PolarHBondContact O-N 2.67Å
400K44.8Very low44.5Very low211 Ų211149.2 Ų149.292%0.91775%0.748SS**SBendtrans-93.123.8-160.7-152.1-174.9178-176.90114.4
401E48.4Very low45.7Very low179 Ų179151.9 Ų151.984%0.83675%0.746SS**SBendtrans-133.9146.7-174.2-67.1179.6179.900110.9L399L399-E401 VanDerWaalsContact C-N 3.34Å; L399-E401 PolarHBondContact O-N 2.67Å
402T44.1Very low46.4Very low115 Ų115148.4 Ų148.471%0.70674%0.737SS**  trans-77.8124.9-178.648.80000110.7D404T402-D404 PolarHBondContact O-N 2.88Å
403P50.8Low46.9Very low90 Ų90143.5 Ų143.558%0.58472%0.719SS**  trans-68.3123-177.126.6-34000112T405 L406P403-T405 PolarHBondContact O-N 3Å; P403-L406 PolarHBondContact O-N 3.47Å; P403-L406 VanDerWaalsContact O-N 3.1Å
404D53.9Low47.5Very low124 Ų124144.9 Ų144.966%0.66372%0.721SS**Hα-helixtrans-52.7-24.7-178.9-66.7-65.1000114.2T402 L406 L407 N408T402-D404 PolarHBondContact O-N 2.88Å; D404-L406 PolarHBondContact O-N 3.05Å; D404-L407 PolarHBondContact O-N 3.26Å; D404-N408 PolarHBondContact O-N 2.76Å
405T57.3Low48.2Very low98 Ų98145.1 Ų145.160%0.60172%0.717SS**Hα-helixtrans-49-41.7175.2-270000112.2P403 N408 I409P403-T405 PolarHBondContact O-N 3Å; T405-N408 PolarHBondContact O-N 3.1Å; T405-I409 HydrophobicContact CG2-CD1 4.41Å; T405-I409 WeakPolarHBondContact O-CD1 3.48Å; T405-I409 VanDerWaalsContact O-CG1 3.25Å; T405-I409 WeakPolarHBondContact O-CG1 3.33Å; T405-I409 PolarHBondContact O-N 2.8Å
406L44.9Very low48.4Very low113 Ų113137 Ų13759%0.59270%0.699SS**Hα-helixtrans-69.6-38.6-179.1-161.280.7000111.9P403 D404 I409 L410P403-L406 PolarHBondContact O-N 3.47Å; P403-L406 VanDerWaalsContact O-N 3.1Å; D404-L406 PolarHBondContact O-N 3.05Å; L406-I409 PolarHBondContact O-N 3.22Å; L406-L410 HydrophobicContact CG-CD1 4.37Å; L406-L410 WeakPolarHBondContact O-CB 3.19Å; L406-L410 WeakPolarHBondContact O-CG 3.35Å; L406-L410 PolarHBondContact O-N 2.92Å
407L51.5Low48.5Very low108 Ų108133.5 Ų133.557%0.56569%0.689SS**Hα-helixtrans-69-37.6177.8-68.4171.7000111.5D404 L410 K411D404-L407 PolarHBondContact O-N 3.26Å; L407-L410 PolarHBondContact O-N 2.87Å; L407-K411 WeakPolarHBondContact O-CB 3.49Å; L407-K411 PolarHBondContact O-N 2.88Å
408N50.2Low48.5Very low89 Ų89128 Ų12848%0.47668%0.676SS.*Hα-helixtrans-68.7-38.4175.3-115.1-4.8000112.2D404 T405 K411 N412D404-N408 PolarHBondContact O-N 2.76Å; T405-N408 PolarHBondContact O-N 3.1Å; N408-K411 WeakPolarHBondContact O-CB 3.34Å; N408-K411 PolarHBondContact O-N 3.34Å; N408-N412 PolarHBondContact O-N 3.19Å
409I48.9Very low48.6Very low108 Ų108124.1 Ų124.155%0.55467%0.666SS**Hα-helixtrans-61.7-46.6172.8-69.4163.1000110.4T405 L406 K411 N412 A413T405-I409 HydrophobicContact CG2-CD1 4.41Å; T405-I409 WeakPolarHBondContact O-CD1 3.48Å; T405-I409 VanDerWaalsContact O-CG1 3.25Å; T405-I409 WeakPolarHBondContact O-CG1 3.33Å; T405-I409 PolarHBondContact O-N 2.8Å; L406-I409 PolarHBondContact O-N 3.22Å; I409-K411 PolarHBondContact O-N 3.01Å; I409-N412 PolarHBondContact O-N 2.96Å; I409-A413 PolarHBondContact O-N 3.21Å
410L51.6Low48Very low100 Ų100123.3 Ų123.352%0.52466%0.658SS.*THydrogen-bonded Turntrans-71.3-7.9178.1-71.8170.1000115.1L406 L407L406-L410 HydrophobicContact CG-CD1 4.37Å; L406-L410 WeakPolarHBondContact O-CB 3.19Å; L406-L410 WeakPolarHBondContact O-CG 3.35Å; L406-L410 PolarHBondContact O-N 2.92Å; L407-L410 PolarHBondContact O-N 2.87Å
411K55.8Low47.8Very low159 Ų159118.4 Ų118.469%0.69165%0.646SS**THydrogen-bonded Turntrans-92.2-30.4173.8-177.8-172.8175.5-170.60112.2L407 N408 I409L407-K411 WeakPolarHBondContact O-CB 3.49Å; L407-K411 PolarHBondContact O-N 2.88Å; N408-K411 WeakPolarHBondContact O-CB 3.34Å; N408-K411 PolarHBondContact O-N 3.34Å; I409-K411 PolarHBondContact O-N 3.01Å
412N48.5Very low47.3Very low119 Ų119119.7 Ų119.764%0.63664%0.644SS**SBendtrans-106.16.8-171.9-60.9-5.7000113.4N408 I409N408-N412 PolarHBondContact O-N 3.19Å; I409-N412 PolarHBondContact O-N 2.96Å
413A51.8Low46.9Very low63 Ų63120.9 Ų120.952%0.52165%0.652SS.*  trans-85113.6175.800000110.8I409I409-A413 PolarHBondContact O-N 3.21Å
414D47.3Very low46.2Very low170 Ų170122.8 Ų122.891%0.90966%0.656SS**PPolyproline II helixtrans-65138.6176.5-87.7-44.4000112.2
415L53Low45.1Very low142 Ų142126.6 Ų126.674%0.74366%0.662SS**PPolyproline II helixtrans-94.8121.1-179.5-67.6172000110.3L417L415-L417 PolarHBondContact O-N 2.78Å
416S39.8Very low44.1Very low84 Ų84132.7 Ų132.759%0.58767%0.674SS**PPolyproline II helixtrans-53.7136.7169.2175.50000111.2A418S416-A418 PolarHBondContact O-N 2.95Å
417L48.5Very low43.5Very low126 Ų126132.5 Ų132.566%0.6668%0.68SS**G310 helixtrans-63.2-8.3-179.3-105.175.9000114.3L415 F419 Q420L415-L417 PolarHBondContact O-N 2.78Å; L417-F419 PolarHBondContact O-N 3.34Å; L417-Q420 PolarHBondContact O-N 2.79Å
418A39.8Very low42.9Very low74 Ų74131.1 Ų131.161%0.61269%0.691SS**G310 helixtrans-54.5-12.7178.300000115.2S416S416-A418 PolarHBondContact O-N 2.95Å
419F40Very low42.1Very low167 Ų167132.2 Ų132.273%0.73271%0.706SS**G310 helixtrans-94.60.6176.9-62-73.6000115.3L417 T421L417-F419 PolarHBondContact O-N 3.34Å; F419-T421 VanDerWaalsContact C-N 3.32Å; F419-T421 PolarHBondContact O-N 2.82Å
420Q37.1Very low41.7Very low151 Ų151137 Ų13771%0.70673%0.726SS**THydrogen-bonded Turntrans-75.1-9.7-177.1-86.2-169.8-1500115.8L417 Y422L417-Q420 PolarHBondContact O-N 2.79Å; Q420-Y422 VanDerWaalsContact C-N 3.33Å; Q420-Y422 PolarHBondContact O-N 3.34Å
421T41.1Very low40.9Very low108 Ų108135.5 Ų135.566%0.66374%0.735SS**THydrogen-bonded Turntrans-79.60.3-17041.50000116.4F419F419-T421 VanDerWaalsContact C-N 3.32Å; F419-T421 PolarHBondContact O-N 2.82Å
422Y36.9Very low40.1Very low205 Ų205138.3 Ų138.380%0.80475%0.747SS**  trans-121.689.1-176.7-69.8-78.8000113.5Q420 I424Q420-Y422 VanDerWaalsContact C-N 3.33Å; Q420-Y422 PolarHBondContact O-N 3.34Å; Y422-I424 PolarHBondContact O-N 3.29Å
423T37.1Very low39.5Very low141 Ų141140.8 Ų140.887%0.86576%0.76SS**PPolyproline II helixtrans-62.3117.6174.8-47.40000111.5Y425T423-Y425 PolarHBondContact O-N 3.31Å
424I35.6Very low38.7Very low130 Ų130147.2 Ų147.267%0.66778%0.776SS**PPolyproline II helixtrans-68.6125.6171.9-62.1173.6000108.9Y422 R426Y422-I424 PolarHBondContact O-N 3.29Å; I424-R426 PolarHBondContact O-N 3.44Å
425Y30.6Very low38.1Very low203 Ų203141.7 Ų141.780%0.79676%0.759SS**PPolyproline II helixtrans-58.4118.6-179.5-177.7-94000111.8T423 P427T423-Y425 PolarHBondContact O-N 3.31Å; Y425-P427 HydrophobicContact CE1-CB 4.22Å
426R36.1Very low37.2Very low226 Ų226141.4 Ų141.485%0.85377%0.766SS**  trans-104.9119.4173.3-120-176.8-175.8179.52.1108.6I424 G428I424-R426 PolarHBondContact O-N 3.44Å; R426-G428 PolarHBondContact O-N 3.04Å
427P32.9Very low36.9Very low109 Ų109145.7 Ų145.771%0.70878%0.781SS**SBendtrans-74.6121.6172.929.4-32000109.9Y425Y425-P427 HydrophobicContact CE1-CB 4.22Å
428G38.2Very low36.4Very low79 Ų79143.9 Ų143.981%0.81478%0.779SS**  trans120.761168.500000116.9R426R426-G428 PolarHBondContact O-N 3.04Å
429S33.8Very low36Very low112 Ų112149.7 Ų149.778%0.78379%0.794SS**  trans-163.3122154.856.30000109.8
430E40.2Very low36Very low209 Ų209150.9 Ų150.998%0.97780%0.801SS**  trans-74.7136169.2-64.5-177.6133.200109.8
431G34.4Very low35.7Very low68 Ų68150.3 Ų150.370%0.70181%0.809SS**  trans163.9113.6179.100000112.8
432F39.3Very low35.5Very low219 Ų219154.5 Ų154.596%0.96182%0.82SS**  trans-75.4121.8169.8-78.3-96.9000109.8
433L35.5Very low35.3Very low171 Ų171149.4 Ų149.490%0.89582%0.821SS**  trans-128.2122.8167.9-70.5175.1000109.6
434K36.5Very low35.3Very low198 Ų198148.2 Ų148.286%0.86182%0.819SS**  trans-69.8140.9170.8-78.6-179.9168.3-175.30109.7
435G34.2Very low35.3Very low54 Ų54149.6 Ų149.656%0.55783%0.827SS**  trans-77.2155.9168.500000112.2L437G435-L437 PolarHBondContact O-N 3.05Å
436P33.3Very low35.5Very low135 Ų135144.9 Ų144.988%0.87782%0.824SS**SBendtrans-82.249.6-173.836.5-38.5000113.1
437L33.7Very low35.9Very low174 Ų174141.4 Ų141.491%0.91183%0.827SS**  trans-132.772.5173-72.5177.1000109.1G435G435-L437 PolarHBondContact O-N 3.05Å
438S38Very low36Very low89 Ų89144.3 Ų144.362%0.62284%0.837SS**  trans-145.264.8172.267.40000111
439E32Very low35.7Very low196 Ų196143.8 Ų143.892%0.91683%0.832SS**  trans-159.8159.4151.5-115.6154.1-144.300110
440E38.8Very low35.7Very low191 Ų191142.2 Ų142.289%0.89383%0.833SS**  trans-91.6142.9-170.7-60172142.500110.4
441T31.8Very low35.5Very low140 Ų140141.7 Ų141.786%0.85983%0.83SS**  trans-155.2126.1159.7-25.30000110.4
442E36.8Very low35.6Very low195 Ų195146.2 Ų146.291%0.91184%0.838SS**  trans-77.8138.2168.1-62.8-172.1140.700109.9
443A33.3Very low35.5Very low98 Ų98141 Ų14181%0.8183%0.828SS**  trans-147.3127.6161.900000109.6
444S37.3Very low35.7Very low117 Ų117138.8 Ų138.882%0.81882%0.822SS**  trans-75.1145.3167.5167.90000109.4
445D35.4Very low35.6Very low159 Ų159137 Ų13785%0.8582%0.821SS**  trans-144.5146.3151.1-134.3-23.2000112.2
446S35.1Very low35.8Very low103 Ų103141.6 Ų141.672%0.7283%0.831SS**  trans-106.7135.1-168.955.80000112.3
447V42.8Very low35.8Very low154 Ų154140.4 Ų140.493%0.93382%0.817SS**  trans-88.4110.7177.9-76.40000112.5
448D34.8Very low36.2Very low170 Ų170137.9 Ų137.991%0.90981%0.812SS**  trans-90.7154.1154.2-177.116.4000109.1
449G33.4Very low36.2Very low68 Ų68142.2 Ų142.270%0.70182%0.822SS**  trans129.3115.3-179.600000113.9
450G33.7Very low36.5Very low78 Ų78142.6 Ų142.680%0.80482%0.815SS**  trans-80.3176-178.100000115.5
451H36.2Very low36.6Very low198 Ų198141 Ų14192%0.91781%0.812SS**  trans-78.6116.6178-68.9-76.9000112.6
452D35.7Very low36.7Very low163 Ų163143.2 Ų143.287%0.87281%0.813SS**  trans-73.8124.7165.2-87.1-32.4000111.6
453S37.2Very low37.1Very low109 Ų109138.7 Ų138.776%0.76280%0.8SS**  trans-92.1108.6174.646.20000111I455S453-I455 PolarHBondContact O-N 3.47Å
454V40.8Very low37.6Very low126 Ų126137.6 Ų137.676%0.76480%0.798SS**  trans-73.7110178.5-178.50000110.6L456V454-L456 HydrophobicContact CG1-CD2 4.34Å
455I33.3Very low37.6Very low161 Ų161138.7 Ų138.783%0.82679%0.794SS**  trans-72.9131.8167.8-60175000108.6S453S453-I455 PolarHBondContact O-N 3.47Å
456L38.7Very low38.4Very low149 Ų149137.9 Ų137.978%0.7879%0.79SS**  trans-98.7124.9178.7-65.1174.4000110.9V454 P458V454-L456 HydrophobicContact CG1-CD2 4.34Å; L456-P458 WeakPolarHBondContact O-CD 3.38Å
457D33.6Very low38.9Very low110 Ų110139.1 Ų139.159%0.58878%0.784SS**  trans-82.8114.1170174.88.7000109.7E459D457-E459 PolarHBondContact OD1-N 3.19Å
458P41.8Very low39Very low122 Ų122139.7 Ų139.779%0.79278%0.777SS**THydrogen-bonded Turntrans-77.4-18.2-171.3-18.733.8000116.3L456L456-P458 WeakPolarHBondContact O-CD 3.38Å
459E37.8Very low39.8Very low179 Ų179134.6 Ų134.684%0.83675%0.749SS**THydrogen-bonded Turntrans-95.35.7-162.3-62-163.2155.700114.9D457 L461D457-E459 PolarHBondContact OD1-N 3.19Å; E459-L461 PolarHBondContact O-N 3.1Å; E459-L461 VanDerWaalsContact O-N 3.15Å
460R37.5Very low40.7Very low204 Ų204136.6 Ų136.677%0.7775%0.748SS**SBendtrans-94.473-165.4-158.3166.3-175.5153.20.1116.2
461L41.4Very low41.1Very low159 Ų159140.1 Ų140.183%0.83275%0.749SS**  trans65.7120.8156.2-55.6174.1000117.9E459E459-L461 PolarHBondContact O-N 3.1Å; E459-L461 VanDerWaalsContact O-N 3.15Å
462E35.2Very low41.5Very low186 Ų186135 Ų13587%0.86972%0.724SS**PPolyproline II helixtrans-75.4152.4170.6-60.3-167.214900112.5
463P45Very low42Very low99 Ų99136.9 Ų136.964%0.64373%0.728SS**PPolyproline II helixtrans-68.1138.5171.9-17.231.7000112.3P155P155-P463 HydrophobicContact CG-CG 4.22Å
464G42.3Very low42.4Very low75 Ų75138.7 Ų138.777%0.77372%0.724SS**PPolyproline II helixtrans-63150.6175.300000113.7
465L38.9Very low42.5Very low141 Ų141142 Ų14274%0.73873%0.731SS**PPolyproline II helixtrans-82.4161.8176.1-66.9167.2000111.4E467L465-E467 HydrophobicContact CB-CG 4.47Å; L465-E467 PolarHBondContact O-N 2.96Å
466D51.1Low43Very low142 Ų142141.5 Ų141.576%0.75973%0.73SS**G310 helixtrans-66.511.5179.6-58.6-76.3000115.1
467E46.3Very low43.5Very low128 Ų128141.6 Ų141.660%0.59873%0.731SS**G310 helixtrans-84.3-5.8-177.4-62.6-101.6156.500113.6N287 L465N287-E467 PolarHBondContact ND2-OE1 3.3Å; L465-E467 HydrophobicContact CB-CG 4.47Å; L465-E467 PolarHBondContact O-N 2.96Å
468E45.2Very low44Very low167 Ų167142.7 Ų142.778%0.7874%0.737SS**G310 helixtrans-97.115.8-178-65.3-164.9157.600115.2T470E468-T470 PolarHBondContact O-N 3.19Å
469D51Low44.2Very low62 Ų62140.9 Ų140.933%0.33273%0.726SS.*  trans-79.156.3176.9-104.826.3000112.7K182K182-D469 IonicContact NZ-OD1 3.31Å; K182-D469 PolarHBondContact NZ-OD1 3.3Å; K182-D469 IonicContact NZ-OD2 3.28Å; K182-D469 PolarHBondContact NZ-OD2 3.25Å
470T51.5Low45Very low110 Ų110137.2 Ų137.268%0.67571%0.711SS**  trans-132.4141.2167.455.90000109.5E468E468-T470 PolarHBondContact O-N 3.19Å
471D42.9Very low45.8Very low153 Ų153129.9 Ų129.982%0.81868%0.684SS**  cis-115.7146.223.6-50.2-58.1000114.3
472F44.5Very low46.2Very low91 Ų91123.4 Ų123.440%0.39965%0.651SS.*  trans-133.6136.3160.1-75.4-92.9000108.1E474F472-E474 PolarHBondContact O-N 3.05Å
473E47Very low47Very low202 Ų202117 Ų11794%0.94463%0.627SS**  trans-70.5125.5172.4-65.6-173.9171.700109.3
474E45.3Very low47.3Very low146 Ų146115.1 Ų115.168%0.68261%0.609SS**  trans-94.9109.2-176.9-60.3-169.3131.500109.9R254 F472 D476R254-E474 IonicContact NH2-OE1 2.75Å; F472-E474 PolarHBondContact O-N 3.05Å; E474-D476 PolarHBondContact O-N 3.48Å
475E42.8Very low47.5Very low196 Ų196112.7 Ų112.792%0.91658%0.579SS**  trans-74.8108.5155.3-71.9-174.3147.400107.1D477E475-D477 VanDerWaalsContact C-N 3.29Å; E475-D477 PolarHBondContact O-N 2.96Å
476D43.3Very low48.1Very low150 Ų150110.2 Ų110.280%0.80256%0.562SS**  trans-78.471.5-165.5-168.915.8000112.6E474E474-D476 PolarHBondContact O-N 3.48Å
477D49.1Very low48.1Very low152 Ų152109.7 Ų109.781%0.81355%0.553SS**  trans-125.965.4175.4-139-13.8000109.4E475 P479E475-D477 VanDerWaalsContact C-N 3.29Å; E475-D477 PolarHBondContact O-N 2.96Å; D477-P479 WeakPolarHBondContact O-CD 3.37Å
478N43.2Very low48.2Very low133 Ų133112.2 Ų112.271%0.71156%0.557SS**  trans-98.290.7-176.7-178.925000111.8
479P47.7Very low48.2Very low84 Ų84106.6 Ų106.655%0.54554%0.539SS..  trans-67.5136.2177.328.2-35.7000111.1D477 W481D477-P479 WeakPolarHBondContact O-CD 3.37Å; P479-W481 VanDerWaalsContact O-CD1 3.28Å; P479-W481 PolarHBondContact O-N 3Å
480D54.3Low47.7Very low101 Ų101106.5 Ų106.554%0.5455%0.553SS.*  trans-74.664176.7-171.47.3000112.6V482 S483 E484D480-V482 PolarHBondContact O-N 3.34Å; D480-V482 PolarHBondContact OD1-N 2.95Å; D480-S483 VanDerWaalsContact CG-CB 3.5Å; D480-S483 VanDerWaalsContact CG-OG 3.24Å; D480-S483 PolarHBondContact O-N 2.85Å; D480-S483 PolarHBondContact OD1-N 3.15Å; D480-S483 PolarHBondContact OD1-OG 3.19Å; D480-S483 WeakPolarHBondContact OD2-CB 3.46Å; D480-S483 PolarHBondContact OD2-OG 3.43Å; D480-E484 PolarHBondContact O-N 2.96Å
481W53.8Low47.6Very low50 Ų50107.7 Ų107.719%0.18955%0.545CS..Hα-helixtrans-64.1-19.7173.269.3-92.1000112.2V277 P479 L485V277-W481 HydrophobicContact CG1-CH2 3.9Å; V277-W481 HydrophobicContact CG1-CZ2 4.31Å; P479-W481 VanDerWaalsContact O-CD1 3.28Å; P479-W481 PolarHBondContact O-N 3Å; W481-L485 HydrophobicContact CE3-CD1 4.06Å; W481-L485 HydrophobicContact CZ3-CD1 3.71Å; W481-L485 WeakPolarHBondContact O-CB 3.42Å; W481-L485 PolarHBondContact O-N 3.26Å
482V49.6Very low47.5Very low24 Ų24108.5 Ų108.515%0.14554%0.544CS..Hα-helixtrans-72.1-44.5-179.3-178.80000110.6L278 I281 D480 L485 K486L278-V482 HydrophobicContact CD2-CG1 3.34Å; L278-V482 HydrophobicContact CG-CG1 4.36Å; I281-V482 HydrophobicContact CD1-CG2 3.75Å; D480-V482 PolarHBondContact O-N 3.34Å; D480-V482 PolarHBondContact OD1-N 2.95Å; V482-L485 PolarHBondContact O-N 3.23Å; V482-K486 PolarHBondContact O-N 3.02Å; V482-K486 VanDerWaalsContact O-N 3.16Å
483S52Low47.4Very low52 Ų52108 Ų10836%0.36456%0.564SS.*Hα-helixtrans-67.3-37.4171.5-66.50000112.3D480 L485 K486 K487D480-S483 VanDerWaalsContact CG-CB 3.5Å; D480-S483 VanDerWaalsContact CG-OG 3.24Å; D480-S483 PolarHBondContact O-N 2.85Å; D480-S483 PolarHBondContact OD1-N 3.15Å; D480-S483 PolarHBondContact OD1-OG 3.19Å; D480-S483 WeakPolarHBondContact OD2-CB 3.46Å; D480-S483 PolarHBondContact OD2-OG 3.43Å; S483-L485 VanDerWaalsContact C-N 3.32Å; S483-L485 PolarHBondContact O-N 3.19Å; S483-K486 PolarHBondContact O-N 3.09Å; S483-K487 VanDerWaalsContact O-CB 3.31Å; S483-K487 WeakPolarHBondContact O-CB 3.25Å; S483-K487 PolarHBondContact O-N 3.37Å
484E50.8Low47Very low58 Ų58106.4 Ų106.427%0.27156%0.561SS.*Hα-helixtrans-66.7-32.7175.7-170.164.1-168.800112.1D480 K487 R488D480-E484 PolarHBondContact O-N 2.96Å; E484-K487 PolarHBondContact O-N 3.24Å; E484-K487 WeakPolarHBondContact OE2-CD 3.28Å; E484-K487 IonicContact OE2-NZ 3.51Å; E484-R488 WeakPolarHBondContact O-CG 3.48Å; E484-R488 PolarHBondContact O-N 2.99Å; E484-R488 VanDerWaalsContact O-N 3.11Å; E484-R488 IonicContact OE1-CZ 3.17Å; E484-R488 IonicContact OE1-NE 2.77Å; E484-R488 PolarHBondContact OE1-NE 3.11Å; E484-R488 IonicContact OE1-NH2 2.72Å; E484-R488 PolarHBondContact OE1-NH2 3.19Å
485L48.2Very low46.5Very low25 Ų25105.4 Ų105.413%0.13157%0.569CS.*Hα-helixtrans-67.2-47.7174-162.8158.7000111.2I270 W481 V482 S483 K487 R488 A489I270-L485 HydrophobicContact CG2-CD1 4.39Å; I270-L485 HydrophobicContact CG2-CD2 4.23Å; I270-L485 HydrophobicContact CG2-CG 4.31Å; W481-L485 HydrophobicContact CE3-CD1 4.06Å; W481-L485 HydrophobicContact CZ3-CD1 3.71Å; W481-L485 WeakPolarHBondContact O-CB 3.42Å; W481-L485 PolarHBondContact O-N 3.26Å; V482-L485 PolarHBondContact O-N 3.23Å; S483-L485 VanDerWaalsContact C-N 3.32Å; S483-L485 PolarHBondContact O-N 3.19Å; L485-K487 VanDerWaalsContact C-N 3.28Å; L485-K487 PolarHBondContact O-N 3.07Å; L485-R488 PolarHBondContact O-N 3.49Å; L485-A489 HydrophobicContact CD2-CB 4.49Å; L485-A489 WeakPolarHBondContact O-CB 3.42Å; L485-A489 PolarHBondContact O-N 3.28Å
486K50.3Low46.3Very low88 Ų88104 Ų10438%0.38357%0.568SS.*Hα-helixtrans-53.3-46.4172.4-68.3175.7-174.2175.80112L278 V482 S483 R488 A489 G490 W491L278-K486 HydrophobicContact CD1-CG 4.16Å; L278-K486 HydrophobicContact CD2-CD 4.49Å; L278-K486 HydrophobicContact CD2-CG 4.41Å; V482-K486 PolarHBondContact O-N 3.02Å; V482-K486 VanDerWaalsContact O-N 3.16Å; S483-K486 PolarHBondContact O-N 3.09Å; K486-R488 VanDerWaalsContact C-N 3.28Å; K486-R488 PolarHBondContact O-N 3.1Å; K486-A489 PolarHBondContact O-N 3.38Å; K486-G490 PolarHBondContact O-N 3.49Å; K486-W491 HydrophobicContact CB-CB 4.26Å; K486-W491 PolarHBondContact O-N 3.1Å
487K52.3Low45.8Very low131 Ų131112.3 Ų112.357%0.5759%0.588SS**Hα-helixtrans-64.5-29.4-177.1-168.8-178.2178.6-170.80113S483 E484 L485S483-K487 VanDerWaalsContact O-CB 3.31Å; S483-K487 WeakPolarHBondContact O-CB 3.25Å; S483-K487 PolarHBondContact O-N 3.37Å; E484-K487 PolarHBondContact O-N 3.24Å; E484-K487 WeakPolarHBondContact OE2-CD 3.28Å; E484-K487 IonicContact OE2-NZ 3.51Å; L485-K487 VanDerWaalsContact C-N 3.28Å; L485-K487 PolarHBondContact O-N 3.07Å
488R46.7Very low45.6Very low182 Ų182110.4 Ų110.469%0.68758%0.577SS**Hα-helixtrans-94.2-24.9177.1-66.7-179.2-172.1-152.13.5114.1E484 L485 K486 G490E484-R488 WeakPolarHBondContact O-CG 3.48Å; E484-R488 PolarHBondContact O-N 2.99Å; E484-R488 VanDerWaalsContact O-N 3.11Å; E484-R488 IonicContact OE1-CZ 3.17Å; E484-R488 IonicContact OE1-NE 2.77Å; E484-R488 PolarHBondContact OE1-NE 3.11Å; E484-R488 IonicContact OE1-NH2 2.72Å; E484-R488 PolarHBondContact OE1-NH2 3.19Å; L485-R488 PolarHBondContact O-N 3.49Å; K486-R488 VanDerWaalsContact C-N 3.28Å; K486-R488 PolarHBondContact O-N 3.1Å; R488-G490 PolarHBondContact O-N 2.83Å
489A46.7Very low45.7Very low48 Ų48109.2 Ų109.240%0.39757%0.57SS.*Hα-helixtrans-75.7-6.9173.500000113.5L485 K486 W491L485-A489 HydrophobicContact CD2-CB 4.49Å; L485-A489 WeakPolarHBondContact O-CB 3.42Å; L485-A489 PolarHBondContact O-N 3.28Å; K486-A489 PolarHBondContact O-N 3.38Å; A489-W491 HydrophobicContact CB-CG 4.44Å
490G39Very low45.6Very low61 Ų61110.6 Ų110.663%0.62957%0.571SS**THydrogen-bonded Turntrans8712.2-177.500000114.7K486 R488 Q492K486-G490 PolarHBondContact O-N 3.49Å; R488-G490 PolarHBondContact O-N 2.83Å; G490-Q492 VanDerWaalsContact C-N 3.27Å; G490-Q492 PolarHBondContact O-N 3.22Å
491W49.7Very low45.1Very low135 Ų135111.1 Ų111.151%0.51157%0.573SS.*  trans-8463.8-173.7-72.750.6000112E275 K486 A489E275-W491 HydrophobicContact CG-CH2 3.55Å; E275-W491 HydrophobicContact CG-CZ2 3.65Å; E275-W491 WeakPolarHBondContact OE1-CZ2 3.48Å; K486-W491 HydrophobicContact CB-CB 4.26Å; K486-W491 PolarHBondContact O-N 3.1Å; A489-W491 HydrophobicContact CB-CG 4.44Å
492Q40.8Very low44.6Very low170 Ų170114.9 Ų114.979%0.79460%0.597SS**  trans-116.7112169.5-69.8-167.7-5400110.5G490G490-Q492 VanDerWaalsContact C-N 3.27Å; G490-Q492 PolarHBondContact O-N 3.22Å
493G44Very low44.2Very low80 Ų80121 Ų12183%0.82563%0.627SS**SBendtrans136.525.3170.700000118.2
494L37.6Very low43.7Very low169 Ų169125.9 Ų125.989%0.88565%0.646SS**SBendtrans-144.827.9179-117.4165.7000115.9
495C35.5Very low43.1Very low125 Ų125131.2 Ų131.285%0.84567%0.674SS**SBendtrans-146.964.4167-87.20000110.4
496D38.5Very low42.7Very low165 Ų165140 Ų14088%0.88272%0.72SS**  trans-163.868164.2-104.8-28.1000110.3
497R31.8Very low42Very low326 Ų326144.7 Ų144.7100%1.2375%0.75SS**  trans-1720162.2-108.3166.2-159.4-142.42.2111.1

Retrieved 497 of 497 residues in 135.7 ms (Link to these results)

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