A0A5K4F3F7_SCHMA Loading...

SOCS box domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3F7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 528 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
1M38.1Very low50.8Low244 Ų244109.5 Ų109.5100%1.20268%0.676SS**  0108.40-75.7169.2160.700108.2S3M1-S3 PolarHBondContact O-N 3.42Å
2T30Very low53.4Low147 Ų147103.6 Ų103.690%0.90264%0.637SS**  trans-79.295.9171.1320000108.5S4T2-S4 PolarHBondContact O-N 2.84Å
3S32Very low55.9Low107 Ų10797.4 Ų97.475%0.74860%0.603SS**  trans-57.7126.8169.743.40000108.9M1 S5M1-S3 PolarHBondContact O-N 3.42Å; S3-S5 PolarHBondContact O-N 3.05Å
4S30.7Very low58.2Low114 Ų11490.5 Ų90.580%0.79756%0.56SS**  trans-64.4101.7178.3350000109.4T2 S6T2-S4 PolarHBondContact O-N 2.84Å; S4-S6 PolarHBondContact O-N 3.45Å
5S34.8Very low60.1Low110 Ų11084.9 Ų84.977%0.76952%0.524SS*.  trans-71.365.2171.649.70000110.4S3 T7S3-S5 PolarHBondContact O-N 3.05Å; S5-T7 PolarHBondContact O-N 2.87Å; S5-T7 VanDerWaalsContact O-N 3.09Å
6S42.2Very low61.9Low89 Ų8982.3 Ų82.362%0.62251%0.506SS*.  trans-52.6119.3162.656.60000107.4S4 T8S4-S6 PolarHBondContact O-N 3.45Å; S6-T8 PolarHBondContact O-N 3.39Å; S6-T8 PolarHBondContact O-OG1 3.28Å; S6-T8 VanDerWaalsContact O-OG1 3.08Å
7T49.4Very low63.6Low135 Ų13577.8 Ų77.883%0.82848%0.478SS*.  trans-71.677.9-178.534.90000109.7S5 I9S5-T7 PolarHBondContact O-N 2.87Å; S5-T7 VanDerWaalsContact O-N 3.09Å; T7-I9 PolarHBondContact O-N 3Å
8T63.7Low65Low91 Ų9173.4 Ų73.456%0.55845%0.452SS*.  trans-64.997.5-178.1-15.60000108.8S6 A13S6-T8 PolarHBondContact O-N 3.39Å; S6-T8 PolarHBondContact O-OG1 3.28Å; S6-T8 VanDerWaalsContact O-OG1 3.08Å; T8-A13 HydrophobicContact CG2-CB 4.26Å
9I78.2Confident66.2Low102 Ų10272.6 Ų72.652%0.52344%0.443SS..  trans-49.7125.2176.2-61172.1000107.4T7 G11 L12 A13T7-I9 PolarHBondContact O-N 3Å; I9-G11 PolarHBondContact O-N 3.48Å; I9-G11 VanDerWaalsContact O-N 3.07Å; I9-L12 HydrophobicContact CB-CB 4.3Å; I9-L12 HydrophobicContact CB-CD1 4.13Å; I9-L12 HydrophobicContact CD1-CD1 4.1Å; I9-L12 WeakPolarHBondContact O-CA 3.39Å; I9-L12 VanDerWaalsContact O-CB 3.26Å; I9-L12 WeakPolarHBondContact O-CB 3.34Å; I9-L12 PolarHBondContact O-N 2.89Å; I9-A13 PolarHBondContact O-N 2.98Å
10P80.3Confident67.4Low47 Ų4775 Ų7531%0.30545%0.454SS..Hα-helixtrans-55.8-34.5-170.3-31.736.7000114.3L12 A13 F14 H33 I35P10-L12 PolarHBondContact O-N 3.32Å; P10-A13 PolarHBondContact O-N 2.91Å; P10-F14 WeakPolarHBondContact O-CB 3.43Å; P10-F14 PolarHBondContact O-N 3.41Å; P10-H33 HydrophobicContact CB-CB 4.1Å; P10-H33 VanDerWaalsContact CG-CD2 3.42Å; P10-H33 WeakPolarHBondContact CG-CD2 3.39Å; P10-I35 HydrophobicContact CB-CD1 4.32Å
11G80Confident68.6Low18 Ų1874.9 Ų74.919%0.18645%0.451CS..Hα-helixtrans-64.3-33.8172.200000114.3I9 Y15I9-G11 PolarHBondContact O-N 3.48Å; I9-G11 VanDerWaalsContact O-N 3.07Å; G11-Y15 WeakPolarHBondContact O-CD2 3.5Å; G11-Y15 PolarHBondContact O-N 3.2Å
12L81.1Confident71.2Confident39 Ų3966.5 Ų66.520%0.20441%0.411CS..Hα-helixtrans-65.4-51.1172.7-115.1123000110.1I9 P10 F14 Y15 D16 V44I9-L12 HydrophobicContact CB-CB 4.3Å; I9-L12 HydrophobicContact CB-CD1 4.13Å; I9-L12 HydrophobicContact CD1-CD1 4.1Å; I9-L12 WeakPolarHBondContact O-CA 3.39Å; I9-L12 VanDerWaalsContact O-CB 3.26Å; I9-L12 WeakPolarHBondContact O-CB 3.34Å; I9-L12 PolarHBondContact O-N 2.89Å; P10-L12 PolarHBondContact O-N 3.32Å; L12-F14 VanDerWaalsContact C-N 3.28Å; L12-F14 PolarHBondContact O-N 3.28Å; L12-Y15 PolarHBondContact O-N 3.17Å; L12-Y15 VanDerWaalsContact O-N 3.13Å; L12-D16 PolarHBondContact O-N 3.42Å; L12-V44 HydrophobicContact CB-CG1 4.01Å; L12-V44 HydrophobicContact CD1-CG1 3.76Å; L12-V44 VanDerWaalsContact CD1-O 3.3Å; L12-V44 WeakPolarHBondContact CD1-O 3.32Å; L12-V44 HydrophobicContact CG-CG1 3.65Å
13A86.1Confident74.3Confident23 Ų2361.6 Ų61.619%0.1938%0.378CS..Hα-helixtrans-58.8-39.8179.600000111.9T8 I9 P10 D16 S17 L29T8-A13 HydrophobicContact CG2-CB 4.26Å; I9-A13 PolarHBondContact O-N 2.98Å; P10-A13 PolarHBondContact O-N 2.91Å; A13-D16 PolarHBondContact O-N 3.02Å; A13-S17 PolarHBondContact O-N 3.48Å; A13-S17 PolarHBondContact O-OG 3Å; A13-L29 HydrophobicContact CB-CD1 3.81Å; A13-L29 HydrophobicContact CB-CD2 4.36Å
14F88.1Confident77.2Confident1 Ų161.7 Ų61.70%0.00438%0.375CS..Hα-helixtrans-64.4-46.7174.3175.5-115.8000112P10 L12 D16 S17 L18 L29 V30 I35 I37 P54 L70P10-F14 WeakPolarHBondContact O-CB 3.43Å; P10-F14 PolarHBondContact O-N 3.41Å; L12-F14 VanDerWaalsContact C-N 3.28Å; L12-F14 PolarHBondContact O-N 3.28Å; F14-D16 VanDerWaalsContact C-N 3.35Å; F14-D16 PolarHBondContact O-N 3.05Å; F14-S17 PolarHBondContact O-N 3.44Å; F14-S17 PolarHBondContact O-OG 3.31Å; F14-L18 HydrophobicContact CD1-CD1 4.27Å; F14-L18 HydrophobicContact CE1-CD1 3.87Å; F14-L18 HydrophobicContact CE2-CD2 4.22Å; F14-L18 HydrophobicContact CE2-CG 4.36Å; F14-L18 HydrophobicContact CZ-CD1 4Å; F14-L18 HydrophobicContact CZ-CD2 4.23Å; F14-L18 HydrophobicContact CZ-CG 4.32Å; F14-L18 WeakPolarHBondContact O-CG 3.12Å; F14-L18 PolarHBondContact O-N 3.2Å; F14-L29 HydrophobicContact CB-CD1 4.34Å; F14-V30 HydrophobicContact CD2-CG2 3.9Å; F14-V30 HydrophobicContact CE2-CG2 3.44Å; F14-V30 VanDerWaalsContact CE2-CG2 3.44Å; F14-V30 HydrophobicContact CZ-CG2 3.96Å; F14-I35 HydrophobicContact CB-CD1 3.71Å; F14-I35 HydrophobicContact CD1-CG2 3.94Å; F14-I35 HydrophobicContact CE1-CG2 4.28Å; F14-I35 HydrophobicContact CG-CD1 4.1Å; F14-I35 HydrophobicContact CG-CG2 4.37Å; F14-I37 HydrophobicContact CZ-CG2 4.36Å; F14-P54 HydrophobicContact CE1-CB 4.35Å; F14-P54 HydrophobicContact CE1-CG 3.78Å; F14-P54 HydrophobicContact CZ-CG 4.41Å; F14-L70 HydrophobicContact CZ-CD2 4.35Å
15Y87.6Confident80.2Confident7 Ų759 Ų593%0.02735%0.35CS..Hα-helixtrans-65.3-36.4176.2-92.2-86.2000113.2G11 L12 L18 I19 A39 L41 L52 C53 P54 L57G11-Y15 WeakPolarHBondContact O-CD2 3.5Å; G11-Y15 PolarHBondContact O-N 3.2Å; L12-Y15 PolarHBondContact O-N 3.17Å; L12-Y15 VanDerWaalsContact O-N 3.13Å; Y15-L18 HydrophobicContact CD1-CD1 4.19Å; Y15-L18 HydrophobicContact CE1-CD1 4.48Å; Y15-L18 WeakPolarHBondContact O-CB 3.34Å; Y15-L18 PolarHBondContact O-N 3.44Å; Y15-I19 VanDerWaalsContact O-CG1 3.3Å; Y15-I19 WeakPolarHBondContact O-CG1 3.5Å; Y15-I19 PolarHBondContact O-N 2.99Å; Y15-A39 PolarHBondContact OH-O 3.43Å; Y15-L41 HydrophobicContact CD1-CB 4.46Å; Y15-L41 HydrophobicContact CD1-CD1 3.71Å; Y15-L41 HydrophobicContact CD1-CD2 4.43Å; Y15-L41 HydrophobicContact CD1-CG 4.42Å; Y15-L41 HydrophobicContact CD2-CD1 3.69Å; Y15-L41 HydrophobicContact CE1-CB 3.94Å; Y15-L41 HydrophobicContact CE1-CD1 4.04Å; Y15-L41 HydrophobicContact CE1-CG 4.38Å; Y15-L41 HydrophobicContact CE2-CB 4.29Å; Y15-L41 HydrophobicContact CE2-CD1 4.04Å; Y15-L41 HydrophobicContact CG-CD1 3.49Å; Y15-L41 VanDerWaalsContact CG-CD1 3.49Å; Y15-L41 PolarHBondContact OH-N 3.31Å; Y15-L52 PolarHBondContact OH-O 3.23Å; Y15-C53 WeakPolarHBondContact OH-CA 3.48Å; Y15-P54 HydrophobicContact CE1-CG 4.35Å; Y15-P54 HydrophobicContact CE2-CG 4.36Å; Y15-P54 WeakPolarHBondContact OH-CD 3.4Å; Y15-L57 HydrophobicContact CD1-CD2 3.86Å; Y15-L57 HydrophobicContact CE1-CD2 4.34Å
16D87.7Confident82.9Confident42 Ų4253.8 Ų53.823%0.22531%0.313CS..Hα-helixtrans-66.7-35.8173.5-74.6-51.2000111.8L12 A13 F14 I19 N20 R45L12-D16 PolarHBondContact O-N 3.42Å; A13-D16 PolarHBondContact O-N 3.02Å; F14-D16 VanDerWaalsContact C-N 3.35Å; F14-D16 PolarHBondContact O-N 3.05Å; D16-I19 PolarHBondContact O-N 2.77Å; D16-N20 WeakPolarHBondContact O-CB 3.47Å; D16-N20 PolarHBondContact O-N 3.37Å; D16-N20 PolarHBondContact O-ND2 2.8Å; D16-R45 IonicContact OD1-CZ 2.72Å; D16-R45 IonicContact OD1-NH1 2.69Å; D16-R45 PolarHBondContact OD1-NH1 3.28Å; D16-R45 IonicContact OD1-NH2 2.71Å; D16-R45 IonicContact OD2-CZ 3.14Å; D16-R45 IonicContact OD2-NH1 2.77Å; D16-R45 PolarHBondContact OD2-NH1 2.93Å
17S90.8Very high85.3Confident6 Ų653.9 Ų53.94%0.04230%0.302CS..Hα-helixtrans-67.8-32.9173.269.30000112.9A13 F14 N20 N21 N22 S26A13-S17 PolarHBondContact O-N 3.48Å; A13-S17 PolarHBondContact O-OG 3Å; F14-S17 PolarHBondContact O-N 3.44Å; F14-S17 PolarHBondContact O-OG 3.31Å; S17-N20 CarbonylContact O-C 3.34Å; S17-N20 PolarHBondContact O-N 3.14Å; S17-N21 PolarHBondContact O-N 3.06Å; S17-N22 PolarHBondContact O-N 3.03Å; S17-S26 PolarHBondContact OG-OG 3.35Å
18L89.9Confident87.3Confident0 Ų054.6 Ų54.60%029%0.29CS..Hα-helixtrans-65.4-44.2169.7-63.2173.6000112.6F14 Y15 N20 N21 P54 L57 V58 N63 M66 L70F14-L18 HydrophobicContact CD1-CD1 4.27Å; F14-L18 HydrophobicContact CE1-CD1 3.87Å; F14-L18 HydrophobicContact CE2-CD2 4.22Å; F14-L18 HydrophobicContact CE2-CG 4.36Å; F14-L18 HydrophobicContact CZ-CD1 4Å; F14-L18 HydrophobicContact CZ-CD2 4.23Å; F14-L18 HydrophobicContact CZ-CG 4.32Å; F14-L18 WeakPolarHBondContact O-CG 3.12Å; F14-L18 PolarHBondContact O-N 3.2Å; Y15-L18 HydrophobicContact CD1-CD1 4.19Å; Y15-L18 HydrophobicContact CE1-CD1 4.48Å; Y15-L18 WeakPolarHBondContact O-CB 3.34Å; Y15-L18 PolarHBondContact O-N 3.44Å; L18-N20 VanDerWaalsContact C-N 3.27Å; L18-N20 PolarHBondContact O-N 2.87Å; L18-N21 PolarHBondContact O-N 3.5Å; L18-P54 HydrophobicContact CD1-CB 3.55Å; L18-P54 HydrophobicContact CD1-CG 4.01Å; L18-L57 HydrophobicContact CB-CD2 3.96Å; L18-V58 HydrophobicContact CB-CG2 4.44Å; L18-V58 HydrophobicContact CD2-CG2 3.96Å; L18-N63 PolarHBondContact O-ND2 3.29Å; L18-M66 HydrophobicContact CD2-CE 4.21Å; L18-M66 HydrophobicContact CD2-CG 3.74Å; L18-M66 HydrophobicContact CD2-SD 3.72Å; L18-L70 HydrophobicContact CD2-CD1 4.45Å
19I87.2Confident88.6Confident57 Ų5750.9 Ų50.929%0.29227%0.266SS..Hα-helixtrans-59.9-40.1177.1-69.2169.9000111Y15 D16 L57 K61Y15-I19 VanDerWaalsContact O-CG1 3.3Å; Y15-I19 WeakPolarHBondContact O-CG1 3.5Å; Y15-I19 PolarHBondContact O-N 2.99Å; D16-I19 PolarHBondContact O-N 2.77Å; I19-L57 HydrophobicContact CG1-CD1 4.31Å; I19-L57 HydrophobicContact CG1-CD2 3.82Å; I19-K61 PolarHBondContact O-NZ 3.44Å
20N90Very high89.1Confident121 Ų12147 Ų4765%0.64725%0.247SC*.THydrogen-bonded Turntrans-904.4-176.6-63.3-23.6000114D16 S17 L18 N22D16-N20 WeakPolarHBondContact O-CB 3.47Å; D16-N20 PolarHBondContact O-N 3.37Å; D16-N20 PolarHBondContact O-ND2 2.8Å; S17-N20 CarbonylContact O-C 3.34Å; S17-N20 PolarHBondContact O-N 3.14Å; L18-N20 VanDerWaalsContact C-N 3.27Å; L18-N20 PolarHBondContact O-N 2.87Å; N20-N22 PolarHBondContact O-N 3.01Å
21N92.5Very high89.6Confident73 Ų7351.4 Ų51.439%0.3926%0.264SS..THydrogen-bonded Turntrans56.726.9-178.7-161.830.3000115.1S17 L18 I23 N63S17-N21 PolarHBondContact O-N 3.06Å; L18-N21 PolarHBondContact O-N 3.5Å; N21-I23 PolarHBondContact O-N 3.32Å; N21-I23 VanDerWaalsContact O-N 3.17Å; N21-N63 WeakPolarHBondContact CB-ND2 3.38Å; N21-N63 VanDerWaalsContact CG-CG 3.5Å; N21-N63 WeakPolarHBondContact OD1-CB 3.38Å
22N93.9Very high90.1Very high68 Ų6856.6 Ų56.636%0.36429%0.287SS..  trans-87.587.2-177.3-173.2-12.1000110.9S17 N20 T24 E25 S26S17-N22 PolarHBondContact O-N 3.03Å; N20-N22 PolarHBondContact O-N 3.01Å; N22-T24 PolarHBondContact O-N 2.92Å; N22-T24 PolarHBondContact OD1-OG1 3.14Å; N22-E25 HydrophobicContact CB-CB 4.4Å; N22-E25 WeakPolarHBondContact ND2-CB 3.32Å; N22-E25 PolarHBondContact OD1-N 3.4Å; N22-S26 WeakPolarHBondContact O-CB 3.41Å; N22-S26 PolarHBondContact O-N 2.95Å; N22-S26 PolarHBondContact O-OG 3.44Å
23I93.1Very high90.3Very high43 Ų4358.9 Ų58.922%0.22130%0.296CS..Hα-helixtrans-65.2-36.3-174.7-62.3169.7000112.3N21 S26 K27 A65 M66N21-I23 PolarHBondContact O-N 3.32Å; N21-I23 VanDerWaalsContact O-N 3.17Å; I23-S26 PolarHBondContact O-N 3.32Å; I23-K27 HydrophobicContact CG2-CD 4.41Å; I23-K27 WeakPolarHBondContact O-CG 3.41Å; I23-K27 PolarHBondContact O-N 3.33Å; I23-A65 HydrophobicContact CD1-CB 3.47Å; I23-A65 VanDerWaalsContact CD1-CB 3.47Å; I23-M66 HydrophobicContact CB-CE 4.25Å; I23-M66 HydrophobicContact CB-SD 4.47Å; I23-M66 HydrophobicContact CG1-CB 4.21Å; I23-M66 HydrophobicContact CG1-CE 3.56Å; I23-M66 HydrophobicContact CG1-SD 3.84Å
24T94.4Very high90.3Very high110 Ų11066.9 Ų66.968%0.67533%0.327SS*.Hα-helixtrans-69.1-42.6-179.746.10000111.6N22 K27 R28N22-T24 PolarHBondContact O-N 2.92Å; N22-T24 PolarHBondContact OD1-OG1 3.14Å; T24-K27 PolarHBondContact O-N 3.46Å; T24-R28 WeakPolarHBondContact O-CB 3.17Å; T24-R28 PolarHBondContact O-N 3.26Å
25E92.6Very high90.1Very high57 Ų5768.2 Ų68.227%0.26633%0.334SS..Hα-helixtrans-71.7-34.1174.4-168.260.3-15800111.7N22 K27 R28 L29N22-E25 HydrophobicContact CB-CB 4.4Å; N22-E25 WeakPolarHBondContact ND2-CB 3.32Å; N22-E25 PolarHBondContact OD1-N 3.4Å; E25-K27 PolarHBondContact O-N 3.15Å; E25-R28 PolarHBondContact O-N 2.83Å; E25-R28 IonicContact OE1-NH1 3.26Å; E25-R28 VanDerWaalsContact OE2-CD 3.3Å; E25-R28 WeakPolarHBondContact OE2-CD 3.42Å; E25-R28 IonicContact OE2-NH1 3.67Å; E25-R28 PolarHBondContact OE2-NH1 3.18Å; E25-L29 HydrophobicContact CG-CD1 3.97Å; E25-L29 HydrophobicContact CG-CG 4.23Å; E25-L29 WeakPolarHBondContact O-CB 3.22Å; E25-L29 VanDerWaalsContact O-CG 3.23Å; E25-L29 WeakPolarHBondContact O-CG 3.41Å; E25-L29 PolarHBondContact O-N 3.46Å
26S91.2Very high90Very high0 Ų072 Ų720%035%0.354CS..Hα-helixtrans-59.2-44.4172.5-58.60000112.2S17 N22 I23 V30 M66S17-S26 PolarHBondContact OG-OG 3.35Å; N22-S26 WeakPolarHBondContact O-CB 3.41Å; N22-S26 PolarHBondContact O-N 2.95Å; N22-S26 PolarHBondContact O-OG 3.44Å; I23-S26 PolarHBondContact O-N 3.32Å; S26-V30 VanDerWaalsContact O-CG2 3.31Å; S26-V30 WeakPolarHBondContact O-CG2 3.48Å; S26-V30 PolarHBondContact O-N 3.09Å; S26-M66 VanDerWaalsContact OG-CE 3.23Å; S26-M66 WeakPolarHBondContact OG-CE 3.5Å
27K92.8Very high89.9Confident91 Ų9170.5 Ų70.540%0.39635%0.346SS..Hα-helixtrans-59.6-55.2173.6-77.8176.8174.5-166.90111.7I23 T24 E25 L29 V30 E31 Y69I23-K27 HydrophobicContact CG2-CD 4.41Å; I23-K27 WeakPolarHBondContact O-CG 3.41Å; I23-K27 PolarHBondContact O-N 3.33Å; T24-K27 PolarHBondContact O-N 3.46Å; E25-K27 PolarHBondContact O-N 3.15Å; K27-L29 VanDerWaalsContact C-N 3.29Å; K27-L29 PolarHBondContact O-N 3.46Å; K27-V30 PolarHBondContact O-N 3.31Å; K27-E31 WeakPolarHBondContact O-CG 3.2Å; K27-E31 PolarHBondContact O-N 2.95Å; K27-Y69 HydrophobicContact CD-CD2 4.44Å; K27-Y69 HydrophobicContact CD-CE2 4.25Å; K27-Y69 HydrophobicContact CG-CD2 3.99Å; K27-Y69 HydrophobicContact CG-CE1 4.22Å; K27-Y69 HydrophobicContact CG-CE2 3.47Å; K27-Y69 VanDerWaalsContact CG-CE2 3.47Å
28R92.9Very high89.6Confident151 Ų15172.3 Ų72.357%0.5736%0.355SS*.Hα-helixtrans-53.3-44.6180-173.6-168.1-173.6-176.92.9112.5T24 E25 L32T24-R28 WeakPolarHBondContact O-CB 3.17Å; T24-R28 PolarHBondContact O-N 3.26Å; E25-R28 PolarHBondContact O-N 2.83Å; E25-R28 IonicContact OE1-NH1 3.26Å; E25-R28 VanDerWaalsContact OE2-CD 3.3Å; E25-R28 WeakPolarHBondContact OE2-CD 3.42Å; E25-R28 IonicContact OE2-NH1 3.67Å; E25-R28 PolarHBondContact OE2-NH1 3.18Å; R28-L32 WeakPolarHBondContact O-CB 3.47Å; R28-L32 PolarHBondContact O-N 2.97Å
29L90.1Very high89.1Confident13 Ų1374.1 Ų74.17%0.06837%0.37CS..Hα-helixtrans-69.1-39.9-178.2-70.8172.9000112.5A13 F14 E25 K27 H33 I35A13-L29 HydrophobicContact CB-CD1 3.81Å; A13-L29 HydrophobicContact CB-CD2 4.36Å; F14-L29 HydrophobicContact CB-CD1 4.34Å; E25-L29 HydrophobicContact CG-CD1 3.97Å; E25-L29 HydrophobicContact CG-CG 4.23Å; E25-L29 WeakPolarHBondContact O-CB 3.22Å; E25-L29 VanDerWaalsContact O-CG 3.23Å; E25-L29 WeakPolarHBondContact O-CG 3.41Å; E25-L29 PolarHBondContact O-N 3.46Å; K27-L29 VanDerWaalsContact C-N 3.29Å; K27-L29 PolarHBondContact O-N 3.46Å; L29-H33 PolarHBondContact O-N 3.18Å; L29-H33 PolarHBondContact O-ND1 3.21Å; L29-H33 VanDerWaalsContact O-ND1 3.07Å; L29-I35 HydrophobicContact CB-CD1 4.06Å; L29-I35 WeakPolarHBondContact O-CD1 3.45Å
30V89.3Confident88.2Confident20 Ų2074.8 Ų74.812%0.12137%0.369CS..Hα-helixtrans-64.3-47.4174.8170.40000110.9F14 S26 K27 K34 I35 I37F14-V30 HydrophobicContact CD2-CG2 3.9Å; F14-V30 HydrophobicContact CE2-CG2 3.44Å; F14-V30 VanDerWaalsContact CE2-CG2 3.44Å; F14-V30 HydrophobicContact CZ-CG2 3.96Å; S26-V30 VanDerWaalsContact O-CG2 3.31Å; S26-V30 WeakPolarHBondContact O-CG2 3.48Å; S26-V30 PolarHBondContact O-N 3.09Å; K27-V30 PolarHBondContact O-N 3.31Å; V30-K34 WeakPolarHBondContact O-CA 3.46Å; V30-K34 PolarHBondContact O-N 2.93Å; V30-I35 HydrophobicContact CG2-CB 4.32Å; V30-I35 PolarHBondContact O-N 3.27Å; V30-I37 HydrophobicContact CG1-CG2 4.31Å; V30-I37 HydrophobicContact CG2-CG2 4.08Å
31E90.4Very high86.9Confident140 Ų14069.6 Ų69.665%0.65434%0.341SS*.Hα-helixtrans-63.6-48.3179.5-71.5165.7-158.800112.1K27K27-E31 WeakPolarHBondContact O-CG 3.2Å; K27-E31 PolarHBondContact O-N 2.95Å
32L90.9Very high85.1Confident127 Ų12768.9 Ų68.967%0.66534%0.342SS*.Hα-helixtrans-70.8-35.4-174.2-163.578000113.2R28R28-L32 WeakPolarHBondContact O-CB 3.47Å; R28-L32 PolarHBondContact O-N 2.97Å
33H85.2Confident83Confident86 Ų8673.3 Ų73.340%0.39836%0.36SS..Hα-helixtrans-112.82.1-173.6-5094.2000114.3P10 L29 I35P10-H33 HydrophobicContact CB-CB 4.1Å; P10-H33 VanDerWaalsContact CG-CD2 3.42Å; P10-H33 WeakPolarHBondContact CG-CD2 3.39Å; L29-H33 PolarHBondContact O-N 3.18Å; L29-H33 PolarHBondContact O-ND1 3.21Å; L29-H33 VanDerWaalsContact O-ND1 3.07Å; H33-I35 VanDerWaalsContact C-N 3.33Å; H33-I35 HydrophobicContact CB-CD1 4.3Å; H33-I35 HydrophobicContact CB-CG1 3.82Å; H33-I35 PolarHBondContact O-N 2.93Å
34K85.3Confident81Confident192 Ų19272.9 Ų72.984%0.83536%0.359SS*.THydrogen-bonded Turntrans5148.1-175.2-60.5-175.4178-178.10112.9V30 D36V30-K34 WeakPolarHBondContact O-CA 3.46Å; V30-K34 PolarHBondContact O-N 2.93Å; K34-D36 PolarHBondContact O-N 3.17Å
35I84.6Confident78.9Confident29 Ų2972.3 Ų72.315%0.14935%0.345CS..  trans-69.7124.9-176.2-52.5-178.4000110P10 F14 L29 V30 H33 I37P10-I35 HydrophobicContact CB-CD1 4.32Å; F14-I35 HydrophobicContact CB-CD1 3.71Å; F14-I35 HydrophobicContact CD1-CG2 3.94Å; F14-I35 HydrophobicContact CE1-CG2 4.28Å; F14-I35 HydrophobicContact CG-CD1 4.1Å; F14-I35 HydrophobicContact CG-CG2 4.37Å; L29-I35 HydrophobicContact CB-CD1 4.06Å; L29-I35 WeakPolarHBondContact O-CD1 3.45Å; V30-I35 HydrophobicContact CG2-CB 4.32Å; V30-I35 PolarHBondContact O-N 3.27Å; H33-I35 VanDerWaalsContact C-N 3.33Å; H33-I35 HydrophobicContact CB-CD1 4.3Å; H33-I35 HydrophobicContact CB-CG1 3.82Å; H33-I35 PolarHBondContact O-N 2.93Å; I35-I37 PolarHBondContact O-N 3.26Å; I35-I37 VanDerWaalsContact O-N 3.16Å
36D84.9Confident76.9Confident86 Ų8679.5 Ų79.546%0.4638%0.375SS..  trans-64.5113.4168168.433.6000110.4K34 N38 A39K34-D36 PolarHBondContact O-N 3.17Å; D36-N38 PolarHBondContact O-N 3.45Å; D36-N38 VanDerWaalsContact O-N 3.11Å; D36-N38 VanDerWaalsContact OD1-CB 3.31Å; D36-N38 WeakPolarHBondContact OD1-CB 3.4Å; D36-N38 PolarHBondContact OD1-N 3.46Å; D36-N38 PolarHBondContact OD1-ND2 3.07Å; D36-A39 HydrophobicContact CB-CB 4.21Å; D36-A39 VanDerWaalsContact O-CB 3.25Å; D36-A39 WeakPolarHBondContact O-CB 3.37Å; D36-A39 PolarHBondContact O-N 3.38Å; D36-A39 VanDerWaalsContact O-N 3.08Å; D36-A39 PolarHBondContact OD2-N 3.22Å; D36-A39 VanDerWaalsContact OD2-N 3.09Å
37I85.8Confident74.7Confident11 Ų1189.4 Ų89.46%0.05641%0.412CS..THydrogen-bonded Turntrans-66.9-5.217863.6176.1000113.9F14 V30 I35 P54 L70 N73 V75F14-I37 HydrophobicContact CZ-CG2 4.36Å; V30-I37 HydrophobicContact CG1-CG2 4.31Å; V30-I37 HydrophobicContact CG2-CG2 4.08Å; I35-I37 PolarHBondContact O-N 3.26Å; I35-I37 VanDerWaalsContact O-N 3.16Å; I37-P54 VanDerWaalsContact O-CD 3.23Å; I37-P54 WeakPolarHBondContact O-CD 3.49Å; I37-P54 WeakPolarHBondContact O-CG 3.31Å; I37-L70 HydrophobicContact CB-CD2 4.2Å; I37-L70 HydrophobicContact CG2-CD2 4.32Å; I37-N73 HydrophobicContact CD1-CB 3.72Å; I37-N73 WeakPolarHBondContact CD1-O 3.5Å; I37-V75 HydrophobicContact CD1-CB 3.96Å; I37-V75 HydrophobicContact CD1-CG2 4.49Å; I37-V75 HydrophobicContact CG1-CB 4.34Å; I37-V75 HydrophobicContact CG1-CG2 4.36Å; I37-V75 WeakPolarHBondContact O-CG2 3.47Å
38N85.5Confident72.7Confident44 Ų4492.2 Ų92.224%0.23543%0.432CS..THydrogen-bonded Turntrans-98.4-12.8173.8-55.3-79.3000112.9D36 R40 C53 N76D36-N38 PolarHBondContact O-N 3.45Å; D36-N38 VanDerWaalsContact O-N 3.11Å; D36-N38 VanDerWaalsContact OD1-CB 3.31Å; D36-N38 WeakPolarHBondContact OD1-CB 3.4Å; D36-N38 PolarHBondContact OD1-N 3.46Å; D36-N38 PolarHBondContact OD1-ND2 3.07Å; N38-R40 PolarHBondContact O-N 3.18Å; N38-C53 PolarHBondContact O-SG 2.91Å; N38-N76 WeakPolarHBondContact OD1-CB 3.38Å; N38-N76 PolarHBondContact OD1-N 3.23Å
39A78.5Confident70.9Confident38 Ų3890 Ų9031%0.31443%0.428SS..  trans-60.5123.6-170.600000112.7Y15 D36Y15-A39 PolarHBondContact OH-O 3.43Å; D36-A39 HydrophobicContact CB-CB 4.21Å; D36-A39 VanDerWaalsContact O-CB 3.25Å; D36-A39 WeakPolarHBondContact O-CB 3.37Å; D36-A39 PolarHBondContact O-N 3.38Å; D36-A39 VanDerWaalsContact O-N 3.08Å; D36-A39 PolarHBondContact OD2-N 3.22Å; D36-A39 VanDerWaalsContact OD2-N 3.09Å
40R68.2Low69.7Low71 Ų7192.3 Ų92.327%0.26844%0.443SS..  trans-67139.5179.9-74.8174.6170.6139.9-10.2112.4N38 S42 H43 C53 Q79 P80 C82N38-R40 PolarHBondContact O-N 3.18Å; R40-S42 WeakPolarHBondContact CB-OG 3.17Å; R40-S42 PolarHBondContact O-N 2.84Å; R40-H43 PolarHBondContact O-N 2.97Å; R40-H43 PolarHBondContact O-ND1 2.94Å; R40-H43 VanDerWaalsContact O-ND1 3.07Å; R40-C53 WeakPolarHBondContact CG-SG 3.48Å; R40-Q79 VanDerWaalsContact NH2-NE2 3.13Å; R40-P80 PolarHBondContact NH2-O 2.96Å; R40-C82 PolarHBondContact NE-SG 3.19Å; R40-C82 VanDerWaalsContact NE-SG 3.41Å
41L62.3Low69.2Low12 Ų1292.1 Ų92.16%0.06344%0.441CS..G310 helixtrans-59.3-13.7177.1-171.366.2000114.3Y15 H43 V44 R45 H49 L52Y15-L41 HydrophobicContact CD1-CB 4.46Å; Y15-L41 HydrophobicContact CD1-CD1 3.71Å; Y15-L41 HydrophobicContact CD1-CD2 4.43Å; Y15-L41 HydrophobicContact CD1-CG 4.42Å; Y15-L41 HydrophobicContact CD2-CD1 3.69Å; Y15-L41 HydrophobicContact CE1-CB 3.94Å; Y15-L41 HydrophobicContact CE1-CD1 4.04Å; Y15-L41 HydrophobicContact CE1-CG 4.38Å; Y15-L41 HydrophobicContact CE2-CB 4.29Å; Y15-L41 HydrophobicContact CE2-CD1 4.04Å; Y15-L41 HydrophobicContact CG-CD1 3.49Å; Y15-L41 VanDerWaalsContact CG-CD1 3.49Å; Y15-L41 PolarHBondContact OH-N 3.31Å; L41-H43 PolarHBondContact O-N 2.91Å; L41-H43 VanDerWaalsContact O-N 3.15Å; L41-V44 HydrophobicContact CD1-CB 3.95Å; L41-V44 HydrophobicContact CD1-CG1 4.03Å; L41-V44 WeakPolarHBondContact O-CA 3.34Å; L41-V44 WeakPolarHBondContact O-CB 3.42Å; L41-V44 PolarHBondContact O-N 3.07Å; L41-R45 HydrophobicContact CD1-CB 3.99Å; L41-R45 HydrophobicContact CG-CB 4.2Å; L41-R45 PolarHBondContact O-N 3.2Å; L41-H49 HydrophobicContact CD2-CB 3.68Å; L41-H49 WeakPolarHBondContact CD2-O 3.34Å; L41-L52 PolarHBondContact N-O 3.16Å
42S54.3Low68.9Low58 Ų5886.5 Ų86.541%0.40642%0.415SS..G310 helixtrans-49.3-38.5176.247.90000113.5R40 V44 T50R40-S42 WeakPolarHBondContact CB-OG 3.17Å; R40-S42 PolarHBondContact O-N 2.84Å; S42-V44 PolarHBondContact O-N 3.39Å; S42-T50 WeakPolarHBondContact CA-O 3.1Å; S42-T50 WeakPolarHBondContact CB-O 3.32Å; S42-T50 PolarHBondContact N-O 2.95Å
43H51.9Low68.8Low161 Ų16180.5 Ų80.575%0.74538%0.384SS*.G310 helixtrans-78.1-4.5-178-50.797.2000113.3R40 L41R40-H43 PolarHBondContact O-N 2.97Å; R40-H43 PolarHBondContact O-ND1 2.94Å; R40-H43 VanDerWaalsContact O-ND1 3.07Å; L41-H43 PolarHBondContact O-N 2.91Å; L41-H43 VanDerWaalsContact O-N 3.15Å
44V49.4Very low69Low33 Ų3376.4 Ų76.420%0.237%0.365CS..THydrogen-bonded Turntrans-128.2-44.1-159-178.60000112.5L12 L41 S42L12-V44 HydrophobicContact CB-CG1 4.01Å; L12-V44 HydrophobicContact CD1-CG1 3.76Å; L12-V44 VanDerWaalsContact CD1-O 3.3Å; L12-V44 WeakPolarHBondContact CD1-O 3.32Å; L12-V44 HydrophobicContact CG-CG1 3.65Å; L41-V44 HydrophobicContact CD1-CB 3.95Å; L41-V44 HydrophobicContact CD1-CG1 4.03Å; L41-V44 WeakPolarHBondContact O-CA 3.34Å; L41-V44 WeakPolarHBondContact O-CB 3.42Å; L41-V44 PolarHBondContact O-N 3.07Å; S42-V44 PolarHBondContact O-N 3.39Å
45R51Low69.4Low99 Ų9967.3 Ų67.337%0.37433%0.326SS..  trans-145.4108.8-172.3-153.6168.1-176153.5-10.9113.5D16 L41 R47D16-R45 IonicContact OD1-CZ 2.72Å; D16-R45 IonicContact OD1-NH1 2.69Å; D16-R45 PolarHBondContact OD1-NH1 3.28Å; D16-R45 IonicContact OD1-NH2 2.71Å; D16-R45 IonicContact OD2-CZ 3.14Å; D16-R45 IonicContact OD2-NH1 2.77Å; D16-R45 PolarHBondContact OD2-NH1 2.93Å; L41-R45 HydrophobicContact CD1-CB 3.99Å; L41-R45 HydrophobicContact CG-CB 4.2Å; L41-R45 PolarHBondContact O-N 3.2Å; R45-R47 PolarHBondContact O-N 3.18Å
46K49.9Very low69.8Low208 Ų20866 Ų6690%0.90432%0.319SS*.  trans-65.8-2.6-175.2-75-171.8175.5-178.40116.9
47R46.3Very low70Confident207 Ų20762.8 Ų62.878%0.78130%0.302SS*.SBendtrans-105.7113.2-175.3-77.8-179.3168131.8-3112.1R45 H49R45-R47 PolarHBondContact O-N 3.18Å; R47-H49 VanDerWaalsContact C-N 3.25Å; R47-H49 PolarHBondContact O-N 3.09Å
48N50.7Low70.4Confident150 Ų15062.3 Ų62.380%0.80230%0.299SS*.SBendtrans63.5-6154.8-5311.8000119.4
49H55.1Low70.8Confident105 Ų10560.2 Ų60.249%0.48629%0.288SS..  trans-131.923.9-173.5-68.2-33.8000113.6L41 R47 D51 L52L41-H49 HydrophobicContact CD2-CB 3.68Å; L41-H49 WeakPolarHBondContact CD2-O 3.34Å; R47-H49 VanDerWaalsContact C-N 3.25Å; R47-H49 PolarHBondContact O-N 3.09Å; H49-D51 VanDerWaalsContact C-N 3.3Å; H49-D51 PolarHBondContact O-N 3.08Å; H49-L52 HydrophobicContact CB-CD1 4.04Å; H49-L52 PolarHBondContact O-N 3.11Å
50T63.9Low71.5Confident62 Ų6263 Ų6338%0.3829%0.291SS..THydrogen-bonded Turntrans-67.3-10.2-153.945.90000117.2S42S42-T50 WeakPolarHBondContact CA-O 3.1Å; S42-T50 WeakPolarHBondContact CB-O 3.32Å; S42-T50 PolarHBondContact N-O 2.95Å
51D79.6Confident72.6Confident16 Ų1664.1 Ų64.19%0.08630%0.298CS..THydrogen-bonded Turntrans-122.22.9-177.167.8-14.3000115.1H49 C53 T81 C82 T83H49-D51 VanDerWaalsContact C-N 3.3Å; H49-D51 PolarHBondContact O-N 3.08Å; D51-C53 PolarHBondContact O-N 3.42Å; D51-T81 WeakPolarHBondContact OD2-CB 3.3Å; D51-C82 HydrophobicContact CB-CB 3.85Å; D51-C82 PolarHBondContact OD2-N 2.93Å; D51-T83 VanDerWaalsContact OD2-CB 3.28Å; D51-T83 WeakPolarHBondContact OD2-CB 3.43Å; D51-T83 WeakPolarHBondContact OD2-CG2 3.31Å; D51-T83 PolarHBondContact OD2-N 2.92Å; D51-T83 PolarHBondContact OD2-OG1 2.88Å
52L84.2Confident74.1Confident21 Ų2164.5 Ų64.511%0.1130%0.304CS..  trans-72.8122.8176.4-68.3164.4000110.4Y15 L41 H49 H56 T81 Y91Y15-L52 PolarHBondContact OH-O 3.23Å; L41-L52 PolarHBondContact N-O 3.16Å; H49-L52 HydrophobicContact CB-CD1 4.04Å; H49-L52 PolarHBondContact O-N 3.11Å; L52-H56 HydrophobicContact CB-CB 4.42Å; L52-H56 HydrophobicContact CD2-CB 3.45Å; L52-H56 VanDerWaalsContact CD2-CB 3.45Å; L52-T81 HydrophobicContact CD2-CG2 3.94Å; L52-Y91 HydrophobicContact CD2-CE1 3.89Å; L52-Y91 HydrophobicContact CD2-CE2 4.09Å
53C88Confident76Confident2 Ų262.8 Ų62.81%0.01429%0.291CS..  trans-78.3162.8160.4-53.50000110.8Y15 N38 R40 D51 V55 H56 L57Y15-C53 WeakPolarHBondContact OH-CA 3.48Å; N38-C53 PolarHBondContact O-SG 2.91Å; R40-C53 WeakPolarHBondContact CG-SG 3.48Å; D51-C53 PolarHBondContact O-N 3.42Å; C53-V55 VanDerWaalsContact C-N 3.33Å; C53-V55 HydrophobicContact CB-CG1 4.46Å; C53-V55 PolarHBondContact O-N 3.01Å; C53-H56 WeakPolarHBondContact CB-ND1 3.32Å; C53-H56 PolarHBondContact N-ND1 3.15Å; C53-H56 WeakPolarHBondContact O-CB 3.26Å; C53-H56 PolarHBondContact O-N 3.33Å; C53-H56 PolarHBondContact O-ND1 3.45Å; C53-L57 PolarHBondContact O-N 3.39Å
54P89.8Confident78.1Confident0 Ų058.2 Ų58.20%027%0.271CS..Hα-helixtrans-50.2-45.9-176.5-35.344.8000114.7F14 Y15 L18 I37 H56 L57 V58 L70F14-P54 HydrophobicContact CE1-CB 4.35Å; F14-P54 HydrophobicContact CE1-CG 3.78Å; F14-P54 HydrophobicContact CZ-CG 4.41Å; Y15-P54 HydrophobicContact CE1-CG 4.35Å; Y15-P54 HydrophobicContact CE2-CG 4.36Å; Y15-P54 WeakPolarHBondContact OH-CD 3.4Å; L18-P54 HydrophobicContact CD1-CB 3.55Å; L18-P54 HydrophobicContact CD1-CG 4.01Å; I37-P54 VanDerWaalsContact O-CD 3.23Å; I37-P54 WeakPolarHBondContact O-CD 3.49Å; I37-P54 WeakPolarHBondContact O-CG 3.31Å; P54-H56 VanDerWaalsContact C-N 3.28Å; P54-H56 PolarHBondContact O-N 3.28Å; P54-L57 PolarHBondContact O-N 2.75Å; P54-V58 WeakPolarHBondContact O-CB 3.23Å; P54-V58 WeakPolarHBondContact O-CG2 3.19Å; P54-V58 PolarHBondContact O-N 3.32Å; P54-L70 HydrophobicContact CB-CD1 3.92Å; P54-L70 HydrophobicContact CB-CD2 4.32Å
55V93.5Very high80.3Confident1 Ų159.6 Ų59.61%0.00629%0.286CS..Hα-helixtrans-60.2-32.1179.6600000113.5C53 A59 L67 V75 P88 L104C53-V55 VanDerWaalsContact C-N 3.33Å; C53-V55 HydrophobicContact CB-CG1 4.46Å; C53-V55 PolarHBondContact O-N 3.01Å; V55-A59 WeakPolarHBondContact O-CB 3.19Å; V55-A59 PolarHBondContact O-N 3.16Å; V55-L67 HydrophobicContact CG2-CD1 3.99Å; V55-V75 HydrophobicContact CB-CG1 3.96Å; V55-V75 HydrophobicContact CB-CG2 3.83Å; V55-V75 HydrophobicContact CG1-CG2 3.93Å; V55-V75 HydrophobicContact CG2-CG1 3.95Å; V55-P88 HydrophobicContact CB-CG 4.17Å; V55-P88 HydrophobicContact CG1-CG 3.66Å; V55-P88 HydrophobicContact CG2-CB 3.93Å; V55-P88 HydrophobicContact CG2-CG 3.63Å; V55-L104 HydrophobicContact CG2-CD2 4.13Å
56H92.3Very high82.4Confident0 Ų054.9 Ų54.90%027%0.269CS..Hα-helixtrans-70.8-45.4176.4-57.793.2000111.9L52 C53 P54 V58 A59 Y60 Q79 R86 Y91L52-H56 HydrophobicContact CB-CB 4.42Å; L52-H56 HydrophobicContact CD2-CB 3.45Å; L52-H56 VanDerWaalsContact CD2-CB 3.45Å; C53-H56 WeakPolarHBondContact CB-ND1 3.32Å; C53-H56 PolarHBondContact N-ND1 3.15Å; C53-H56 WeakPolarHBondContact O-CB 3.26Å; C53-H56 PolarHBondContact O-N 3.33Å; C53-H56 PolarHBondContact O-ND1 3.45Å; P54-H56 VanDerWaalsContact C-N 3.28Å; P54-H56 PolarHBondContact O-N 3.28Å; H56-V58 VanDerWaalsContact C-N 3.35Å; H56-A59 PolarHBondContact O-N 3.03Å; H56-Y60 VanDerWaalsContact O-CB 3.3Å; H56-Y60 WeakPolarHBondContact O-CB 3.37Å; H56-Y60 PolarHBondContact O-N 3.48Å; H56-Q79 PolarHBondContact CE1-O 2.99Å; H56-Q79 VanDerWaalsContact CE1-O 3.31Å; H56-Q79 PolarHBondContact NE2-O 3.43Å; H56-R86 PolarHBondContact CD2-O 3.14Å; H56-R86 PolarHBondContact NE2-O 3.21Å; H56-R86 VanDerWaalsContact NE2-O 3.17Å; H56-Y91 HydrophobicContact CB-CD2 4.11Å; H56-Y91 HydrophobicContact CB-CE2 4.26Å; H56-Y91 AromaticContact CD2-CD2 3.75Å; H56-Y91 AromaticContact CD2-CE2 3.65Å
57L90.4Very high84.6Confident20 Ų2045 Ų4511%0.10523%0.225CC..Hα-helixtrans-63-43.6179.3172.364000110.9Y15 L18 I19 C53 P54 Y60 K61Y15-L57 HydrophobicContact CD1-CD2 3.86Å; Y15-L57 HydrophobicContact CE1-CD2 4.34Å; L18-L57 HydrophobicContact CB-CD2 3.96Å; I19-L57 HydrophobicContact CG1-CD1 4.31Å; I19-L57 HydrophobicContact CG1-CD2 3.82Å; C53-L57 PolarHBondContact O-N 3.39Å; P54-L57 PolarHBondContact O-N 2.75Å; L57-Y60 PolarHBondContact O-N 3.43Å; L57-K61 HydrophobicContact CD1-CG 4.29Å; L57-K61 WeakPolarHBondContact O-CB 3.47Å; L57-K61 VanDerWaalsContact O-CG 3.3Å; L57-K61 WeakPolarHBondContact O-CG 3.15Å; L57-K61 PolarHBondContact O-N 2.93Å
58V93.5Very high87Confident0 Ų039.2 Ų39.20%021%0.207CC..Hα-helixtrans-67.1-42.4178.1165.70000111.7L18 P54 H56 K61 G62 N63 M66 L67 L70L18-V58 HydrophobicContact CB-CG2 4.44Å; L18-V58 HydrophobicContact CD2-CG2 3.96Å; P54-V58 WeakPolarHBondContact O-CB 3.23Å; P54-V58 WeakPolarHBondContact O-CG2 3.19Å; P54-V58 PolarHBondContact O-N 3.32Å; H56-V58 VanDerWaalsContact C-N 3.35Å; V58-K61 PolarHBondContact O-N 3.3Å; V58-G62 PolarHBondContact O-N 3.03Å; V58-G62 VanDerWaalsContact O-N 3.07Å; V58-N63 HydrophobicContact CG1-CB 4.18Å; V58-N63 PolarHBondContact O-N 3.43Å; V58-M66 HydrophobicContact CG1-CB 4.07Å; V58-M66 HydrophobicContact CG1-CG 4.24Å; V58-M66 HydrophobicContact CG2-CB 4.31Å; V58-M66 HydrophobicContact CG2-CG 3.67Å; V58-L67 HydrophobicContact CG1-CB 3.62Å; V58-L67 HydrophobicContact CG1-CD1 4.12Å; V58-L67 HydrophobicContact CG1-CG 4.44Å; V58-L70 HydrophobicContact CB-CD1 4.17Å; V58-L70 HydrophobicContact CG1-CD1 4.42Å; V58-L70 HydrophobicContact CG2-CD1 3.8Å
59A94.5Very high89.1Confident0 Ų032.7 Ų32.70%017%0.172CC..Hα-helixtrans-64.1-38.8173.700000112.8V55 H56 P88 A92 L104V55-A59 WeakPolarHBondContact O-CB 3.19Å; V55-A59 PolarHBondContact O-N 3.16Å; H56-A59 PolarHBondContact O-N 3.03Å; A59-P88 HydrophobicContact CB-CB 4.03Å; A59-A92 HydrophobicContact CB-CB 4.37Å; A59-L104 HydrophobicContact CB-CD1 4.08Å
60Y92.3Very high91Very high97 Ų9727.7 Ų27.738%0.3815%0.149SC..Hα-helixtrans-65.8-36.2174-178.8-98.8000112.9H56 L57 Y91 R95H56-Y60 VanDerWaalsContact O-CB 3.3Å; H56-Y60 WeakPolarHBondContact O-CB 3.37Å; H56-Y60 PolarHBondContact O-N 3.48Å; L57-Y60 PolarHBondContact O-N 3.43Å; Y60-Y91 AromaticContact CD2-CD1 3.91Å; Y60-Y91 HydrophobicContact CD2-CD1 3.91Å; Y60-Y91 HydrophobicContact CG-CD1 4.48Å; Y60-R95 HydrophobicContact CD2-CG 3.37Å; Y60-R95 VanDerWaalsContact CE2-CD 3.44Å; Y60-R95 HydrophobicContact CE2-CG 3.45Å; Y60-R95 VanDerWaalsContact CE2-CG 3.45Å; Y60-R95 HydrophobicContact CG-CG 4.07Å; Y60-R95 WeakPolarHBondContact O-CG 3.23Å
61K92.2Very high92.5Very high94 Ų9426.8 Ų26.841%0.40914%0.141SC..Hα-helixtrans-78.8-27.1-178.1-81.1-77.8-169.6155.50114.3I19 L57 V58I19-K61 PolarHBondContact O-NZ 3.44Å; L57-K61 HydrophobicContact CD1-CG 4.29Å; L57-K61 WeakPolarHBondContact O-CB 3.47Å; L57-K61 VanDerWaalsContact O-CG 3.3Å; L57-K61 WeakPolarHBondContact O-CG 3.15Å; L57-K61 PolarHBondContact O-N 2.93Å; V58-K61 PolarHBondContact O-N 3.3Å
62G93.9Very high93.2Very high20 Ų2032.5 Ų32.521%0.20617%0.167CC..THydrogen-bonded Turntrans88.213-173.500000114.9V58 L64V58-G62 PolarHBondContact O-N 3.03Å; V58-G62 VanDerWaalsContact O-N 3.07Å; G62-L64 VanDerWaalsContact C-N 3.28Å; G62-L64 PolarHBondContact O-N 3.2Å
63N94.7Very high93.6Very high22 Ų2235.6 Ų35.612%0.11818%0.184CC..  trans-77.871.5-171.3-70.4-6.6000111.6L18 N21 V58 A65 M66 L67L18-N63 PolarHBondContact O-ND2 3.29Å; N21-N63 WeakPolarHBondContact CB-ND2 3.38Å; N21-N63 VanDerWaalsContact CG-CG 3.5Å; N21-N63 WeakPolarHBondContact OD1-CB 3.38Å; V58-N63 HydrophobicContact CG1-CB 4.18Å; V58-N63 PolarHBondContact O-N 3.43Å; N63-A65 PolarHBondContact O-N 2.95Å; N63-M66 HydrophobicContact CB-CB 3.88Å; N63-M66 WeakPolarHBondContact O-CA 3.31Å; N63-M66 WeakPolarHBondContact O-CB 3.25Å; N63-M66 PolarHBondContact O-N 2.94Å; N63-L67 PolarHBondContact O-N 3.27Å
64L95.7Very high93.8Very high65 Ų6538.1 Ų38.134%0.3421%0.21SC..Hα-helixtrans-52.9-44.6-169.8-170.767.2000114.5G62 L67 H68 S99 M103G62-L64 VanDerWaalsContact C-N 3.28Å; G62-L64 PolarHBondContact O-N 3.2Å; L64-L67 WeakPolarHBondContact O-CB 3.45Å; L64-L67 PolarHBondContact O-N 3.45Å; L64-H68 PolarHBondContact O-N 2.89Å; L64-S99 WeakPolarHBondContact CD1-O 3.3Å; L64-M103 HydrophobicContact CD1-CB 4.23Å; L64-M103 HydrophobicContact CD1-CE 3.58Å; L64-M103 HydrophobicContact CD1-SD 3.92Å; L64-M103 HydrophobicContact CG-CE 3.89Å
65A95.7Very high94Very high62 Ų6238.7 Ų38.751%0.51221%0.213SC..Hα-helixtrans-71.4-29.4179.500000112.8I23 N63 Y69I23-A65 HydrophobicContact CD1-CB 3.47Å; I23-A65 VanDerWaalsContact CD1-CB 3.47Å; N63-A65 PolarHBondContact O-N 2.95Å; A65-Y69 PolarHBondContact O-N 2.89Å; A65-Y69 VanDerWaalsContact O-N 3.15Å
66M95Very high93.9Very high0 Ų041.3 Ų41.30%023%0.227CC..Hα-helixtrans-71.4-37.7170.4-169.371.777.700111.1L18 I23 S26 V58 N63 Y69 L70L18-M66 HydrophobicContact CD2-CE 4.21Å; L18-M66 HydrophobicContact CD2-CG 3.74Å; L18-M66 HydrophobicContact CD2-SD 3.72Å; I23-M66 HydrophobicContact CB-CE 4.25Å; I23-M66 HydrophobicContact CB-SD 4.47Å; I23-M66 HydrophobicContact CG1-CB 4.21Å; I23-M66 HydrophobicContact CG1-CE 3.56Å; I23-M66 HydrophobicContact CG1-SD 3.84Å; S26-M66 VanDerWaalsContact OG-CE 3.23Å; S26-M66 WeakPolarHBondContact OG-CE 3.5Å; V58-M66 HydrophobicContact CG1-CB 4.07Å; V58-M66 HydrophobicContact CG1-CG 4.24Å; V58-M66 HydrophobicContact CG2-CB 4.31Å; V58-M66 HydrophobicContact CG2-CG 3.67Å; N63-M66 HydrophobicContact CB-CB 3.88Å; N63-M66 WeakPolarHBondContact O-CA 3.31Å; N63-M66 WeakPolarHBondContact O-CB 3.25Å; N63-M66 PolarHBondContact O-N 2.94Å; M66-Y69 PolarHBondContact O-N 3Å; M66-Y69 HydrophobicContact SD-CD1 4.21Å; M66-L70 WeakPolarHBondContact O-CG 3.44Å; M66-L70 PolarHBondContact O-N 3.48Å
67L96.4Very high94Very high0 Ų041.8 Ų41.80%023%0.23CC..Hα-helixtrans-62.4-45.6176.1-175.159000110.9V55 V58 N63 L64 Y69 L70 I71 C100 M103 L104V55-L67 HydrophobicContact CG2-CD1 3.99Å; V58-L67 HydrophobicContact CG1-CB 3.62Å; V58-L67 HydrophobicContact CG1-CD1 4.12Å; V58-L67 HydrophobicContact CG1-CG 4.44Å; N63-L67 PolarHBondContact O-N 3.27Å; L64-L67 WeakPolarHBondContact O-CB 3.45Å; L64-L67 PolarHBondContact O-N 3.45Å; L67-Y69 VanDerWaalsContact C-N 3.34Å; L67-Y69 PolarHBondContact O-N 3.25Å; L67-L70 PolarHBondContact O-N 3.43Å; L67-I71 HydrophobicContact CD1-CD1 3.94Å; L67-I71 HydrophobicContact CD1-CG1 4.37Å; L67-I71 HydrophobicContact CG-CD1 3.81Å; L67-I71 WeakPolarHBondContact O-CB 3.31Å; L67-I71 VanDerWaalsContact O-CG1 3.32Å; L67-I71 WeakPolarHBondContact O-CG1 3.44Å; L67-I71 PolarHBondContact O-N 3.17Å; L67-C100 HydrophobicContact CD2-CB 3.61Å; L67-M103 HydrophobicContact CB-SD 4.05Å; L67-M103 HydrophobicContact CD2-CB 4.13Å; L67-M103 HydrophobicContact CD2-CG 4.26Å; L67-M103 HydrophobicContact CD2-SD 4.06Å; L67-M103 HydrophobicContact CG-CG 4.4Å; L67-M103 HydrophobicContact CG-SD 3.9Å; L67-L104 HydrophobicContact CD1-CD2 4.17Å; L67-L104 HydrophobicContact CD2-CG 4.24Å
68H96.3Very high94.2Very high86 Ų8644.3 Ų44.340%0.39824%0.241SC..Hα-helixtrans-57.1-47.3174.4-168.2-98.4000111.5L64 L70 I71 Q72 M103L64-H68 PolarHBondContact O-N 2.89Å; H68-L70 PolarHBondContact O-N 3.05Å; H68-I71 PolarHBondContact O-N 3.14Å; H68-Q72 PolarHBondContact CE1-NE2 3.04Å; H68-Q72 PolarHBondContact CE1-OE1 3.07Å; H68-Q72 VanDerWaalsContact CE1-OE1 3.28Å; H68-Q72 PolarHBondContact ND1-OE1 2.87Å; H68-Q72 WeakPolarHBondContact O-CB 3.36Å; H68-Q72 WeakPolarHBondContact O-CG 3.4Å; H68-Q72 PolarHBondContact O-N 3.09Å; H68-M103 HydrophobicContact CB-CE 3.93Å; H68-M103 HydrophobicContact CB-SD 3.78Å; H68-M103 PolarHBondContact N-SD 2.9Å
69Y94.7Very high94.1Very high14 Ų1446.4 Ų46.46%0.05525%0.251CS..Hα-helixtrans-58.4-47.3175.8169.1-111.4000112.6K27 A65 M66 L67 I71 Q72 N73K27-Y69 HydrophobicContact CD-CD2 4.44Å; K27-Y69 HydrophobicContact CD-CE2 4.25Å; K27-Y69 HydrophobicContact CG-CD2 3.99Å; K27-Y69 HydrophobicContact CG-CE1 4.22Å; K27-Y69 HydrophobicContact CG-CE2 3.47Å; K27-Y69 VanDerWaalsContact CG-CE2 3.47Å; A65-Y69 PolarHBondContact O-N 2.89Å; A65-Y69 VanDerWaalsContact O-N 3.15Å; M66-Y69 PolarHBondContact O-N 3Å; M66-Y69 HydrophobicContact SD-CD1 4.21Å; L67-Y69 VanDerWaalsContact C-N 3.34Å; L67-Y69 PolarHBondContact O-N 3.25Å; Y69-I71 PolarHBondContact O-N 2.84Å; Y69-Q72 PolarHBondContact O-N 2.97Å; Y69-N73 VanDerWaalsContact CD2-ND2 3.32Å; Y69-N73 WeakPolarHBondContact CD2-ND2 3.5Å; Y69-N73 WeakPolarHBondContact CE2-ND2 3.37Å; Y69-N73 PolarHBondContact O-N 3.33Å; Y69-N73 PolarHBondContact O-ND2 2.87Å
70L94.7Very high94Very high0 Ų047.7 Ų47.70%026%0.26CS..Hα-helixtrans-63.8-40.5178.4-68.2176.6000112.2F14 L18 I37 P54 V58 M66 L67 H68 N73 G74 V75F14-L70 HydrophobicContact CZ-CD2 4.35Å; L18-L70 HydrophobicContact CD2-CD1 4.45Å; I37-L70 HydrophobicContact CB-CD2 4.2Å; I37-L70 HydrophobicContact CG2-CD2 4.32Å; P54-L70 HydrophobicContact CB-CD1 3.92Å; P54-L70 HydrophobicContact CB-CD2 4.32Å; V58-L70 HydrophobicContact CB-CD1 4.17Å; V58-L70 HydrophobicContact CG1-CD1 4.42Å; V58-L70 HydrophobicContact CG2-CD1 3.8Å; M66-L70 WeakPolarHBondContact O-CG 3.44Å; M66-L70 PolarHBondContact O-N 3.48Å; L67-L70 PolarHBondContact O-N 3.43Å; H68-L70 PolarHBondContact O-N 3.05Å; L70-N73 PolarHBondContact O-N 3.48Å; L70-G74 PolarHBondContact O-N 2.97Å; L70-V75 HydrophobicContact CB-CB 4.06Å; L70-V75 HydrophobicContact CB-CG1 3.81Å; L70-V75 WeakPolarHBondContact O-CB 3.21Å; L70-V75 WeakPolarHBondContact O-CG1 3.39Å; L70-V75 PolarHBondContact O-N 3.17Å
71I95.4Very high93.9Very high42 Ų4243.1 Ų43.122%0.21524%0.242CC..Hα-helixtrans-66.5-44177.9-68.9168.8000111L67 H68 Y69 N73 G74 V75 V77 M103 A107L67-I71 HydrophobicContact CD1-CD1 3.94Å; L67-I71 HydrophobicContact CD1-CG1 4.37Å; L67-I71 HydrophobicContact CG-CD1 3.81Å; L67-I71 WeakPolarHBondContact O-CB 3.31Å; L67-I71 VanDerWaalsContact O-CG1 3.32Å; L67-I71 WeakPolarHBondContact O-CG1 3.44Å; L67-I71 PolarHBondContact O-N 3.17Å; H68-I71 PolarHBondContact O-N 3.14Å; Y69-I71 PolarHBondContact O-N 2.84Å; I71-N73 PolarHBondContact O-N 3.07Å; I71-G74 PolarHBondContact O-N 3.03Å; I71-V75 HydrophobicContact CG1-CG1 4.16Å; I71-V77 HydrophobicContact CD1-CG1 4.45Å; I71-V77 HydrophobicContact CG1-CG1 4.12Å; I71-M103 HydrophobicContact CD1-CG 3.81Å; I71-M103 HydrophobicContact CD1-SD 4.33Å; I71-A107 HydrophobicContact CD1-CB 4Å; I71-A107 HydrophobicContact CG1-CB 4.44Å; I71-A107 HydrophobicContact CG2-CB 3.83Å
72Q94.5Very high93.5Very high136 Ų13642 Ų4264%0.63625%0.245SC*.Hα-helixtrans-60.6-24.1175.9-75.2-174.8-60.800113.8H68 Y69H68-Q72 PolarHBondContact CE1-NE2 3.04Å; H68-Q72 PolarHBondContact CE1-OE1 3.07Å; H68-Q72 VanDerWaalsContact CE1-OE1 3.28Å; H68-Q72 PolarHBondContact ND1-OE1 2.87Å; H68-Q72 WeakPolarHBondContact O-CB 3.36Å; H68-Q72 WeakPolarHBondContact O-CG 3.4Å; H68-Q72 PolarHBondContact O-N 3.09Å; Y69-Q72 PolarHBondContact O-N 2.97Å
73N93.3Very high93.1Very high87 Ų8745.2 Ų45.247%0.46526%0.261SS..THydrogen-bonded Turntrans-97.38.5177.4-71-96.6000113.1I37 Y69 L70 I71I37-N73 HydrophobicContact CD1-CB 3.72Å; I37-N73 WeakPolarHBondContact CD1-O 3.5Å; Y69-N73 VanDerWaalsContact CD2-ND2 3.32Å; Y69-N73 WeakPolarHBondContact CD2-ND2 3.5Å; Y69-N73 WeakPolarHBondContact CE2-ND2 3.37Å; Y69-N73 PolarHBondContact O-N 3.33Å; Y69-N73 PolarHBondContact O-ND2 2.87Å; L70-N73 PolarHBondContact O-N 3.48Å; I71-N73 PolarHBondContact O-N 3.07Å
74G91.3Very high92.9Very high55 Ų5546.3 Ų46.357%0.56727%0.266SS*.THydrogen-bonded Turntrans85.132173.200000115.5L70 I71L70-G74 PolarHBondContact O-N 2.97Å; I71-G74 PolarHBondContact O-N 3.03Å
75V93Very high92.7Very high11 Ų1147.2 Ų47.27%0.06727%0.269CS..  trans-64.9138.5174.281.80000111.6I37 V55 L70 I71 V77I37-V75 HydrophobicContact CD1-CB 3.96Å; I37-V75 HydrophobicContact CD1-CG2 4.49Å; I37-V75 HydrophobicContact CG1-CB 4.34Å; I37-V75 HydrophobicContact CG1-CG2 4.36Å; I37-V75 WeakPolarHBondContact O-CG2 3.47Å; V55-V75 HydrophobicContact CB-CG1 3.96Å; V55-V75 HydrophobicContact CB-CG2 3.83Å; V55-V75 HydrophobicContact CG1-CG2 3.93Å; V55-V75 HydrophobicContact CG2-CG1 3.95Å; L70-V75 HydrophobicContact CB-CB 4.06Å; L70-V75 HydrophobicContact CB-CG1 3.81Å; L70-V75 WeakPolarHBondContact O-CB 3.21Å; L70-V75 WeakPolarHBondContact O-CG1 3.39Å; L70-V75 PolarHBondContact O-N 3.17Å; I71-V75 HydrophobicContact CG1-CG1 4.16Å; V75-V77 HydrophobicContact CG1-CG1 4.44Å; V75-V77 PolarHBondContact O-N 2.92Å
76N93.1Very high92.6Very high56 Ų5646 Ų4630%0.29925%0.251SS..  trans-72.496178.8-1785.5000111.7N38 H78 Q79N38-N76 WeakPolarHBondContact OD1-CB 3.38Å; N38-N76 PolarHBondContact OD1-N 3.23Å; N76-H78 PolarHBondContact O-N 2.95Å; N76-H78 WeakPolarHBondContact OD1-CA 3.17Å; N76-H78 WeakPolarHBondContact OD1-CB 3.5Å; N76-H78 PolarHBondContact OD1-N 3Å; N76-Q79 HydrophobicContact CB-CB 4.13Å; N76-Q79 PolarHBondContact ND2-OE1 2.75Å; N76-Q79 VanDerWaalsContact O-CB 3.32Å; N76-Q79 WeakPolarHBondContact O-CB 3.47Å; N76-Q79 PolarHBondContact O-N 2.97Å; N76-Q79 PolarHBondContact OD1-N 3.04Å
77V94.6Very high92.6Very high10 Ų1048.4 Ų48.46%0.06126%0.26CS..THydrogen-bonded Turntrans-65.5-14.1176.5-59.80000114.1I71 V75 P88 L104 A107 A109I71-V77 HydrophobicContact CD1-CG1 4.45Å; I71-V77 HydrophobicContact CG1-CG1 4.12Å; V75-V77 HydrophobicContact CG1-CG1 4.44Å; V75-V77 PolarHBondContact O-N 2.92Å; V77-P88 WeakPolarHBondContact O-CD 3.42Å; V77-L104 HydrophobicContact CB-CD2 4.17Å; V77-L104 HydrophobicContact CG1-CD2 3.96Å; V77-A107 HydrophobicContact CG1-CB 4.14Å; V77-A109 HydrophobicContact CB-CB 4.25Å; V77-A109 HydrophobicContact CG2-CB 4.13Å
78H93.7Very high92.6Very high74 Ų7448.4 Ų48.434%0.34326%0.26SS..THydrogen-bonded Turntrans-94.3-7.4177.6-55.1-87.7000113.7N76 P80 R87 G108N76-H78 PolarHBondContact O-N 2.95Å; N76-H78 WeakPolarHBondContact OD1-CA 3.17Å; N76-H78 WeakPolarHBondContact OD1-CB 3.5Å; N76-H78 PolarHBondContact OD1-N 3Å; H78-P80 WeakPolarHBondContact O-CD 3.19Å; H78-R87 VanDerWaalsContact O-CD 3.23Å; H78-R87 WeakPolarHBondContact O-CD 3.43Å; H78-R87 WeakPolarHBondContact O-CG 3.47Å; H78-R87 PolarHBondContact O-NE 3Å; H78-G108 PolarHBondContact CE1-O 3.36Å
79Q90.8Very high92.6Very high43 Ų4344.3 Ų44.320%0.20124%0.241CC..PPolyproline II helixtrans-57.8127.9-175.2-169.96249.300110.7R40 H56 N76R40-Q79 VanDerWaalsContact NH2-NE2 3.13Å; H56-Q79 PolarHBondContact CE1-O 2.99Å; H56-Q79 VanDerWaalsContact CE1-O 3.31Å; H56-Q79 PolarHBondContact NE2-O 3.43Å; N76-Q79 HydrophobicContact CB-CB 4.13Å; N76-Q79 PolarHBondContact ND2-OE1 2.75Å; N76-Q79 VanDerWaalsContact O-CB 3.32Å; N76-Q79 WeakPolarHBondContact O-CB 3.47Å; N76-Q79 PolarHBondContact O-N 2.97Å; N76-Q79 PolarHBondContact OD1-N 3.04Å
80P92.1Very high92.6Very high28 Ų2843.7 Ų43.718%0.18224%0.239CC..PPolyproline II helixtrans-92.3148.7172.233-33.1000112.5R40 H78 Q85 R87R40-P80 PolarHBondContact NH2-O 2.96Å; H78-P80 WeakPolarHBondContact O-CD 3.19Å; P80-Q85 VanDerWaalsContact CB-OE1 3.28Å; P80-R87 HydrophobicContact CB-CG 4.3Å
81T90Very high92.6Very high0 Ų044.7 Ų44.70%024%0.243CC..PPolyproline II helixtrans-68.2146.1164.356.80000111.6D51 L52 Q85 R86 Y91D51-T81 WeakPolarHBondContact OD2-CB 3.3Å; L52-T81 HydrophobicContact CD2-CG2 3.94Å; T81-Q85 WeakPolarHBondContact O-CA 3.28Å; T81-Q85 PolarHBondContact O-N 3.31Å; T81-R86 PolarHBondContact N-O 3.14Å; T81-R86 PolarHBondContact OG1-N 3.5Å; T81-R86 VanDerWaalsContact OG1-N 3.12Å; T81-R86 PolarHBondContact OG1-O 3.44Å; T81-Y91 HydrophobicContact CG2-CE2 3.87Å
82C85.2Confident92.5Very high70 Ų7042.7 Ų42.747%0.47323%0.233SC..THydrogen-bonded Turntrans-69-35.8-172.9-600000113.6R40 D51R40-C82 PolarHBondContact NE-SG 3.19Å; R40-C82 VanDerWaalsContact NE-SG 3.41Å; D51-C82 HydrophobicContact CB-CB 3.85Å; D51-C82 PolarHBondContact OD2-N 2.93Å
83T84.8Confident92.5Very high88 Ų8836.2 Ų36.254%0.5420%0.202SC..THydrogen-bonded Turntrans-83-40.2-172.256.50000112.9D51D51-T83 VanDerWaalsContact OD2-CB 3.28Å; D51-T83 WeakPolarHBondContact OD2-CB 3.43Å; D51-T83 WeakPolarHBondContact OD2-CG2 3.31Å; D51-T83 PolarHBondContact OD2-N 2.92Å; D51-T83 PolarHBondContact OD2-OG1 2.88Å
84L89.9Confident92.4Very high46 Ų4635.3 Ų35.324%0.24120%0.197CC..THydrogen-bonded Turntrans-121.82.3-171.6-61.9-178.1000113.9R86 D115 T116 F117L84-R86 HydrophobicContact CB-CG 3.93Å; L84-R86 PolarHBondContact O-N 3.25Å; L84-D115 WeakPolarHBondContact O-CB 3.41Å; L84-T116 VanDerWaalsContact C-CG2 3.46Å; L84-T116 WeakPolarHBondContact CA-OG1 3.23Å; L84-T116 PolarHBondContact O-N 2.88Å; L84-T116 PolarHBondContact O-OG1 3.19Å; L84-F117 HydrophobicContact CD2-CE2 3.83Å; L84-F117 HydrophobicContact CD2-CZ 4.24Å
85Q92.8Very high92.5Very high83 Ų8338.6 Ų38.639%0.38819%0.192SC..  trans53.318.4-175.3-63.4-70.4-2000114.2P80 T81 R87 T116P80-Q85 VanDerWaalsContact CB-OE1 3.28Å; T81-Q85 WeakPolarHBondContact O-CA 3.28Å; T81-Q85 PolarHBondContact O-N 3.31Å; Q85-R87 PolarHBondContact O-N 3.44Å; Q85-T116 HydrophobicContact CB-CG2 4.01Å; Q85-T116 HydrophobicContact CG-CG2 3.76Å
86R93.9Very high92.4Very high36 Ų3642.4 Ų42.414%0.13621%0.209CC..  trans-76.8123-177.2-75.5-179.8177166.11.8109.2H56 T81 L84 H90 Y91 D115 Y124H56-R86 PolarHBondContact CD2-O 3.14Å; H56-R86 PolarHBondContact NE2-O 3.21Å; H56-R86 VanDerWaalsContact NE2-O 3.17Å; T81-R86 PolarHBondContact N-O 3.14Å; T81-R86 PolarHBondContact OG1-N 3.5Å; T81-R86 VanDerWaalsContact OG1-N 3.12Å; T81-R86 PolarHBondContact OG1-O 3.44Å; L84-R86 HydrophobicContact CB-CG 3.93Å; L84-R86 PolarHBondContact O-N 3.25Å; R86-H90 HydrophobicContact CB-CB 4.17Å; R86-H90 HydrophobicContact CG-CB 4.15Å; R86-Y91 HydrophobicContact CB-CD2 4.13Å; R86-Y91 HydrophobicContact CB-CE2 3.36Å; R86-Y91 HydrophobicContact CG-CE2 4.45Å; R86-D115 HydrophobicContact CG-CB 3.55Å; R86-D115 IonicContact CZ-OD2 2.97Å; R86-D115 IonicContact NE-OD2 3.31Å; R86-D115 PolarHBondContact NE-OD2 3.11Å; R86-D115 IonicContact NH2-OD2 3.96Å; R86-D115 PolarHBondContact NH2-OD2 3.39Å; R86-Y124 PolarHBondContact NH2-OH 3.42Å
87R95.1Very high92.4Very high51 Ų5142.5 Ų42.519%0.19221%0.208CC..  trans-85.3161.4169.1-61.5177.3-170.373.1-5.3110.6H78 P80 Q85 V89 H90 R114H78-R87 VanDerWaalsContact O-CD 3.23Å; H78-R87 WeakPolarHBondContact O-CD 3.43Å; H78-R87 WeakPolarHBondContact O-CG 3.47Å; H78-R87 PolarHBondContact O-NE 3Å; P80-R87 HydrophobicContact CB-CG 4.3Å; Q85-R87 PolarHBondContact O-N 3.44Å; R87-V89 HydrophobicContact CB-CG2 4.28Å; R87-V89 PolarHBondContact O-N 3.24Å; R87-H90 PolarHBondContact N-ND1 2.99Å; R87-H90 WeakPolarHBondContact O-CB 3.17Å; R87-H90 PolarHBondContact O-N 3.4Å; R87-H90 PolarHBondContact O-ND1 3.18Å; R87-R114 PolarHBondContact NH1-O 3.14Å
88P94.8Very high92.4Very high0 Ų044.1 Ų44.10%022%0.218CC..Hα-helixtrans-49.8-35.7-176-31.538.3000115.4V55 A59 V77 H90 Y91 A92 L104V55-P88 HydrophobicContact CB-CG 4.17Å; V55-P88 HydrophobicContact CG1-CG 3.66Å; V55-P88 HydrophobicContact CG2-CB 3.93Å; V55-P88 HydrophobicContact CG2-CG 3.63Å; A59-P88 HydrophobicContact CB-CB 4.03Å; V77-P88 WeakPolarHBondContact O-CD 3.42Å; P88-H90 PolarHBondContact O-N 3.28Å; P88-Y91 PolarHBondContact O-N 3.09Å; P88-A92 PolarHBondContact O-N 3.4Å; P88-L104 HydrophobicContact CB-CD1 3.75Å; P88-L104 HydrophobicContact CB-CD2 3.84Å; P88-L104 HydrophobicContact CB-CG 4.48Å
89V96.3Very high92.5Very high1 Ų144.2 Ų44.21%0.00623%0.227CC..Hα-helixtrans-56.6-33.1176.2-66.90000113.7R87 A93 L101 L104 L105 A109 A113 P121R87-V89 HydrophobicContact CB-CG2 4.28Å; R87-V89 PolarHBondContact O-N 3.24Å; V89-A93 VanDerWaalsContact O-CB 3.28Å; V89-A93 WeakPolarHBondContact O-CB 3.47Å; V89-A93 PolarHBondContact O-N 3.4Å; V89-L101 HydrophobicContact CB-CD1 3.86Å; V89-L101 HydrophobicContact CG1-CD1 3.83Å; V89-L104 HydrophobicContact CG1-CB 3.94Å; V89-L104 HydrophobicContact CG1-CD1 4.12Å; V89-L105 HydrophobicContact CG1-CD2 4.48Å; V89-A109 HydrophobicContact CG1-CB 3.6Å; V89-A113 HydrophobicContact CG2-CB 4.05Å; V89-P121 HydrophobicContact CB-CG 3.9Å; V89-P121 HydrophobicContact CG2-CG 3.69Å
90H95.4Very high92.8Very high1 Ų142.2 Ų42.21%0.00522%0.218CC..Hα-helixtrans-71.4-36.3175.7-53.981.7000111.5R86 R87 P88 A93 L94 A113 D115 N119R86-H90 HydrophobicContact CB-CB 4.17Å; R86-H90 HydrophobicContact CG-CB 4.15Å; R87-H90 PolarHBondContact N-ND1 2.99Å; R87-H90 WeakPolarHBondContact O-CB 3.17Å; R87-H90 PolarHBondContact O-N 3.4Å; R87-H90 PolarHBondContact O-ND1 3.18Å; P88-H90 PolarHBondContact O-N 3.28Å; H90-A93 PolarHBondContact O-N 2.94Å; H90-L94 WeakPolarHBondContact O-CB 3.23Å; H90-L94 PolarHBondContact O-N 3.26Å; H90-A113 PolarHBondContact NE2-O 3Å; H90-A113 VanDerWaalsContact NE2-O 3.11Å; H90-D115 PolarHBondContact NE2-N 3.23Å; H90-N119 PolarHBondContact NE2-O 3.46Å
91Y93.7Very high92.9Very high21 Ų2140.9 Ų40.98%0.08221%0.209CC..Hα-helixtrans-74.3-36.2178.8-71.2-82.4000111.8L52 H56 Y60 T81 R86 P88 R95L52-Y91 HydrophobicContact CD2-CE1 3.89Å; L52-Y91 HydrophobicContact CD2-CE2 4.09Å; H56-Y91 HydrophobicContact CB-CD2 4.11Å; H56-Y91 HydrophobicContact CB-CE2 4.26Å; H56-Y91 AromaticContact CD2-CD2 3.75Å; H56-Y91 AromaticContact CD2-CE2 3.65Å; Y60-Y91 AromaticContact CD2-CD1 3.91Å; Y60-Y91 HydrophobicContact CD2-CD1 3.91Å; Y60-Y91 HydrophobicContact CG-CD1 4.48Å; T81-Y91 HydrophobicContact CG2-CE2 3.87Å; R86-Y91 HydrophobicContact CB-CD2 4.13Å; R86-Y91 HydrophobicContact CB-CE2 3.36Å; R86-Y91 HydrophobicContact CG-CE2 4.45Å; P88-Y91 PolarHBondContact O-N 3.09Å; Y91-R95 WeakPolarHBondContact O-CB 3.4Å; Y91-R95 PolarHBondContact O-N 2.88Å
92A94.5Very high93.2Very high0 Ų043.7 Ų43.70%022%0.222CC..Hα-helixtrans-62.2-46.416900000111.1A59 P88 R95 Q96 Q97 L101 L104A59-A92 HydrophobicContact CB-CB 4.37Å; P88-A92 PolarHBondContact O-N 3.4Å; A92-R95 CarbonylContact O-C 3.49Å; A92-R95 PolarHBondContact O-N 2.98Å; A92-Q96 PolarHBondContact O-N 2.9Å; A92-Q96 VanDerWaalsContact O-N 3.14Å; A92-Q97 HydrophobicContact CB-CB 4.26Å; A92-Q97 PolarHBondContact O-N 3.47Å; A92-L101 HydrophobicContact CB-CB 4.13Å; A92-L104 HydrophobicContact CB-CD1 4.18Å
93A94.7Very high93.8Very high0 Ų042.4 Ų42.40%021%0.21CC..Hα-helixtrans-65.2-47.2178.900000113.2V89 H90 R95 Q96 P121 L133V89-A93 VanDerWaalsContact O-CB 3.28Å; V89-A93 WeakPolarHBondContact O-CB 3.47Å; V89-A93 PolarHBondContact O-N 3.4Å; H90-A93 PolarHBondContact O-N 2.94Å; A93-R95 PolarHBondContact O-N 3.07Å; A93-Q96 PolarHBondContact O-N 3.17Å; A93-Q96 VanDerWaalsContact O-N 3.14Å; A93-P121 HydrophobicContact CB-CB 4Å; A93-L133 HydrophobicContact CB-CD2 3.98Å; A93-L133 VanDerWaalsContact O-CD2 3.24Å; A93-L133 WeakPolarHBondContact O-CD2 3.48Å
94L91.7Very high94.4Very high67 Ų6738.2 Ų38.235%0.35118%0.184SC..THydrogen-bonded Turntrans-58.3-16.2176.1-179.563.4000113.6H90 Y124H90-L94 WeakPolarHBondContact O-CB 3.23Å; H90-L94 PolarHBondContact O-N 3.26Å; L94-Y124 HydrophobicContact CB-CD1 4.44Å; L94-Y124 HydrophobicContact CD1-CD1 3.88Å; L94-Y124 HydrophobicContact CD1-CE1 4.11Å
95R91.4Very high94.7Very high125 Ų12537.2 Ų37.247%0.47218%0.178SC..THydrogen-bonded Turntrans-122.115-178.3-63.3-60.4-61.9168.63.7113.7Y60 Y91 A92 A93 Q97Y60-R95 HydrophobicContact CD2-CG 3.37Å; Y60-R95 VanDerWaalsContact CE2-CD 3.44Å; Y60-R95 HydrophobicContact CE2-CG 3.45Å; Y60-R95 VanDerWaalsContact CE2-CG 3.45Å; Y60-R95 HydrophobicContact CG-CG 4.07Å; Y60-R95 WeakPolarHBondContact O-CG 3.23Å; Y91-R95 WeakPolarHBondContact O-CB 3.4Å; Y91-R95 PolarHBondContact O-N 2.88Å; A92-R95 CarbonylContact O-C 3.49Å; A92-R95 PolarHBondContact O-N 2.98Å; A93-R95 PolarHBondContact O-N 3.07Å; R95-Q97 HydrophobicContact CB-CG 3.89Å; R95-Q97 WeakPolarHBondContact O-CG 3.23Å; R95-Q97 PolarHBondContact O-N 2.62Å; R95-Q97 PolarHBondContact O-NE2 3.3Å
96Q91.5Very high94.8Very high91 Ų9139.1 Ų39.143%0.42519%0.191SC..THydrogen-bonded Turntrans55.530179.1-54.3169.217.400113.9A92 A93 V98 D128 D130A92-Q96 PolarHBondContact O-N 2.9Å; A92-Q96 VanDerWaalsContact O-N 3.14Å; A93-Q96 PolarHBondContact O-N 3.17Å; A93-Q96 VanDerWaalsContact O-N 3.14Å; Q96-V98 VanDerWaalsContact C-N 3.27Å; Q96-V98 PolarHBondContact O-N 2.94Å; Q96-D128 VanDerWaalsContact CD-OD2 3.31Å; Q96-D128 WeakPolarHBondContact CG-OD2 3.49Å; Q96-D128 PolarHBondContact NE2-OD1 3.31Å; Q96-D128 PolarHBondContact NE2-OD2 3.24Å; Q96-D130 HydrophobicContact CG-CB 4.07Å
97Q94.1Very high94.9Very high57 Ų5739 Ų3927%0.26620%0.198SC..  trans-84.966.9-174.6-60.3-55.9-46.100111.5A92 R95 S99 C100 L101A92-Q97 HydrophobicContact CB-CB 4.26Å; A92-Q97 PolarHBondContact O-N 3.47Å; R95-Q97 HydrophobicContact CB-CG 3.89Å; R95-Q97 WeakPolarHBondContact O-CG 3.23Å; R95-Q97 PolarHBondContact O-N 2.62Å; R95-Q97 PolarHBondContact O-NE2 3.3Å; Q97-S99 PolarHBondContact O-N 3.41Å; Q97-C100 HydrophobicContact CB-CB 3.94Å; Q97-C100 WeakPolarHBondContact O-CB 3.39Å; Q97-C100 PolarHBondContact O-N 3.19Å; Q97-L101 PolarHBondContact O-N 3.25Å
98V94.7Very high94.9Very high44 Ų4438.8 Ų38.827%0.26721%0.212SC..Hα-helixtrans-48.5-51.5-173.8-174.40000112.4Q96 C100 L101 Q102 L133 L136Q96-V98 VanDerWaalsContact C-N 3.27Å; Q96-V98 PolarHBondContact O-N 2.94Å; V98-C100 PolarHBondContact O-N 3.28Å; V98-L101 PolarHBondContact O-N 3.07Å; V98-Q102 PolarHBondContact O-N 3.5Å; V98-L133 HydrophobicContact CG2-CB 4.17Å; V98-L133 HydrophobicContact CG2-CD1 4.42Å; V98-L136 HydrophobicContact CG1-CD1 3.49Å; V98-L136 VanDerWaalsContact CG1-CD1 3.49Å; V98-L136 WeakPolarHBondContact O-CD1 3.36Å
99S95.4Very high95Very high76 Ų7639.1 Ų39.153%0.53122%0.215SC..Hα-helixtrans-65.3-37.8-179.3-46.80000113L64 Q97 Q102 M103L64-S99 WeakPolarHBondContact CD1-O 3.3Å; Q97-S99 PolarHBondContact O-N 3.41Å; S99-Q102 PolarHBondContact O-N 3.07Å; S99-M103 WeakPolarHBondContact O-CB 3.46Å; S99-M103 PolarHBondContact O-N 3.38Å
100C95.9Very high95Very high2 Ų244 Ų441%0.01424%0.238CC..Hα-helixtrans-69.2-35.5175.1-68.70000111.6L67 Q97 V98 M103 L104L67-C100 HydrophobicContact CD2-CB 3.61Å; Q97-C100 HydrophobicContact CB-CB 3.94Å; Q97-C100 WeakPolarHBondContact O-CB 3.39Å; Q97-C100 PolarHBondContact O-N 3.19Å; V98-C100 PolarHBondContact O-N 3.28Å; C100-M103 PolarHBondContact O-N 3.45Å; C100-L104 WeakPolarHBondContact O-CB 3.34Å; C100-L104 VanDerWaalsContact O-CG 3.31Å; C100-L104 WeakPolarHBondContact O-CG 3.45Å; C100-L104 PolarHBondContact O-N 3.23Å
101L96Very high95Very high0 Ų045.5 Ų45.50%025%0.245CC..Hα-helixtrans-66.1-46174.3-177.862000111.1V89 A92 Q97 V98 M103 L104 L105 L133 L136 L137V89-L101 HydrophobicContact CB-CD1 3.86Å; V89-L101 HydrophobicContact CG1-CD1 3.83Å; A92-L101 HydrophobicContact CB-CB 4.13Å; Q97-L101 PolarHBondContact O-N 3.25Å; V98-L101 PolarHBondContact O-N 3.07Å; L101-M103 VanDerWaalsContact C-N 3.27Å; L101-M103 PolarHBondContact O-N 2.99Å; L101-L104 PolarHBondContact O-N 3.29Å; L101-L105 HydrophobicContact CD1-CG 4.23Å; L101-L105 HydrophobicContact CG-CD1 4.3Å; L101-L105 HydrophobicContact CG-CG 4.41Å; L101-L105 WeakPolarHBondContact O-CG 3.43Å; L101-L105 PolarHBondContact O-N 3.01Å; L101-L133 HydrophobicContact CB-CD1 4.31Å; L101-L133 HydrophobicContact CD2-CD1 3.48Å; L101-L133 VanDerWaalsContact CD2-CD1 3.48Å; L101-L133 HydrophobicContact CD2-CG 4.27Å; L101-L136 HydrophobicContact CD2-CD2 3.96Å; L101-L136 HydrophobicContact CG-CD2 4.06Å; L101-L137 HydrophobicContact CD2-CD1 4.1Å; L101-L137 HydrophobicContact CD2-CD2 3.8Å; L101-L137 HydrophobicContact CD2-CG 3.78Å
102Q96.3Very high95.1Very high59 Ų5946.9 Ų46.928%0.27625%0.254SS..Hα-helixtrans-57.7-43.7175-164.260.665.700111.1V98 S99 L104 L105 N106 L136 N140V98-Q102 PolarHBondContact O-N 3.5Å; S99-Q102 PolarHBondContact O-N 3.07Å; Q102-L104 PolarHBondContact O-N 3.03Å; Q102-L105 PolarHBondContact O-N 3.49Å; Q102-N106 PolarHBondContact NE2-OD1 3.25Å; Q102-N106 WeakPolarHBondContact O-CB 3.34Å; Q102-N106 PolarHBondContact O-N 3.26Å; Q102-N106 PolarHBondContact O-OD1 3.48Å; Q102-N106 VanDerWaalsContact O-OD1 3.05Å; Q102-L136 HydrophobicContact CB-CD1 4Å; Q102-N140 PolarHBondContact NE2-OD1 3.11Å
103M96.9Very high95.3Very high43 Ų4347 Ų4721%0.21226%0.255CS..Hα-helixtrans-64.2-37.6178.7-172.6173.5-75.400112.8L64 L67 H68 I71 S99 C100 L101 A107L64-M103 HydrophobicContact CD1-CB 4.23Å; L64-M103 HydrophobicContact CD1-CE 3.58Å; L64-M103 HydrophobicContact CD1-SD 3.92Å; L64-M103 HydrophobicContact CG-CE 3.89Å; L67-M103 HydrophobicContact CB-SD 4.05Å; L67-M103 HydrophobicContact CD2-CB 4.13Å; L67-M103 HydrophobicContact CD2-CG 4.26Å; L67-M103 HydrophobicContact CD2-SD 4.06Å; L67-M103 HydrophobicContact CG-CG 4.4Å; L67-M103 HydrophobicContact CG-SD 3.9Å; H68-M103 HydrophobicContact CB-CE 3.93Å; H68-M103 HydrophobicContact CB-SD 3.78Å; H68-M103 PolarHBondContact N-SD 2.9Å; I71-M103 HydrophobicContact CD1-CG 3.81Å; I71-M103 HydrophobicContact CD1-SD 4.33Å; S99-M103 WeakPolarHBondContact O-CB 3.46Å; S99-M103 PolarHBondContact O-N 3.38Å; C100-M103 PolarHBondContact O-N 3.45Å; L101-M103 VanDerWaalsContact C-N 3.27Å; L101-M103 PolarHBondContact O-N 2.99Å; M103-A107 WeakPolarHBondContact O-CB 3.45Å; M103-A107 PolarHBondContact O-N 3.31Å; M103-A107 VanDerWaalsContact O-N 3.09Å
104L97Very high95.4Very high0 Ų053.2 Ų53.20%028%0.279CS..Hα-helixtrans-66.7-44.2173.6-75.6166.8000112.3V55 A59 L67 V77 P88 V89 A92 C100 L101 Q102 A107 G108 A109V55-L104 HydrophobicContact CG2-CD2 4.13Å; A59-L104 HydrophobicContact CB-CD1 4.08Å; L67-L104 HydrophobicContact CD1-CD2 4.17Å; L67-L104 HydrophobicContact CD2-CG 4.24Å; V77-L104 HydrophobicContact CB-CD2 4.17Å; V77-L104 HydrophobicContact CG1-CD2 3.96Å; P88-L104 HydrophobicContact CB-CD1 3.75Å; P88-L104 HydrophobicContact CB-CD2 3.84Å; P88-L104 HydrophobicContact CB-CG 4.48Å; V89-L104 HydrophobicContact CG1-CB 3.94Å; V89-L104 HydrophobicContact CG1-CD1 4.12Å; A92-L104 HydrophobicContact CB-CD1 4.18Å; C100-L104 WeakPolarHBondContact O-CB 3.34Å; C100-L104 VanDerWaalsContact O-CG 3.31Å; C100-L104 WeakPolarHBondContact O-CG 3.45Å; C100-L104 PolarHBondContact O-N 3.23Å; L101-L104 PolarHBondContact O-N 3.29Å; Q102-L104 PolarHBondContact O-N 3.03Å; L104-A107 CarbonylContact O-C 3.6Å; L104-A107 PolarHBondContact O-N 2.81Å; L104-G108 PolarHBondContact O-N 3.02Å; L104-A109 HydrophobicContact CB-CB 4.06Å; L104-A109 WeakPolarHBondContact O-CB 3.39Å; L104-A109 PolarHBondContact O-N 3.42Å
105L96.3Very high95.6Very high24 Ų2450.4 Ų50.413%0.12626%0.264CS..Hα-helixtrans-65.1-42.4177.5-65.4-178.9000111.4V89 L101 Q102 A107 G108 A109 I111 L136 N140V89-L105 HydrophobicContact CG1-CD2 4.48Å; L101-L105 HydrophobicContact CD1-CG 4.23Å; L101-L105 HydrophobicContact CG-CD1 4.3Å; L101-L105 HydrophobicContact CG-CG 4.41Å; L101-L105 WeakPolarHBondContact O-CG 3.43Å; L101-L105 PolarHBondContact O-N 3.01Å; Q102-L105 PolarHBondContact O-N 3.49Å; L105-A107 PolarHBondContact O-N 3.41Å; L105-G108 WeakPolarHBondContact O-CA 3.41Å; L105-G108 PolarHBondContact O-N 2.89Å; L105-A109 WeakPolarHBondContact CD2-O 3.19Å; L105-I111 HydrophobicContact CD1-CD1 4.05Å; L105-I111 HydrophobicContact CD1-CG1 4.31Å; L105-I111 HydrophobicContact CD2-CB 3.86Å; L105-I111 HydrophobicContact CD2-CD1 4.45Å; L105-I111 HydrophobicContact CD2-CG1 3.99Å; L105-L136 HydrophobicContact CD1-CD2 3.58Å; L105-N140 HydrophobicContact CD1-CB 4.14Å
106N96Very high95.8Very high123 Ų12347.2 Ų47.266%0.65826%0.259SS*.Hα-helixtrans-61.8-28.7174-69.413.2000112.3Q102 G108Q102-N106 PolarHBondContact NE2-OD1 3.25Å; Q102-N106 WeakPolarHBondContact O-CB 3.34Å; Q102-N106 PolarHBondContact O-N 3.26Å; Q102-N106 PolarHBondContact O-OD1 3.48Å; Q102-N106 VanDerWaalsContact O-OD1 3.05Å; N106-G108 PolarHBondContact O-N 3.45Å
107A95.6Very high96.1Very high34 Ų3447.4 Ų47.428%0.28126%0.258SS..THydrogen-bonded Turntrans-84.513.3172.500000113.6I71 V77 M103 L104 L105I71-A107 HydrophobicContact CD1-CB 4Å; I71-A107 HydrophobicContact CG1-CB 4.44Å; I71-A107 HydrophobicContact CG2-CB 3.83Å; V77-A107 HydrophobicContact CG1-CB 4.14Å; M103-A107 WeakPolarHBondContact O-CB 3.45Å; M103-A107 PolarHBondContact O-N 3.31Å; M103-A107 VanDerWaalsContact O-N 3.09Å; L104-A107 CarbonylContact O-C 3.6Å; L104-A107 PolarHBondContact O-N 2.81Å; L105-A107 PolarHBondContact O-N 3.41Å
108G94.9Very high96.2Very high47 Ų4745 Ų4549%0.48525%0.248SC..THydrogen-bonded Turntrans86.96.3174.700000115.7H78 L104 L105 N106 Q110H78-G108 PolarHBondContact CE1-O 3.36Å; L104-G108 PolarHBondContact O-N 3.02Å; L105-G108 WeakPolarHBondContact O-CA 3.41Å; L105-G108 PolarHBondContact O-N 2.89Å; N106-G108 PolarHBondContact O-N 3.45Å; G108-Q110 PolarHBondContact O-N 3.41Å
109A95.9Very high96.4Very high7 Ų743.5 Ų43.56%0.05824%0.239CC..  trans-62.4135.8-17900000112.1V77 V89 L104 L105 I111V77-A109 HydrophobicContact CB-CB 4.25Å; V77-A109 HydrophobicContact CG2-CB 4.13Å; V89-A109 HydrophobicContact CG1-CB 3.6Å; L104-A109 HydrophobicContact CB-CB 4.06Å; L104-A109 WeakPolarHBondContact O-CB 3.39Å; L104-A109 PolarHBondContact O-N 3.42Å; L105-A109 WeakPolarHBondContact CD2-O 3.19Å; A109-I111 PolarHBondContact O-N 2.95Å
110Q96.3Very high96.5Very high103 Ų10339.9 Ų39.948%0.48121%0.214SC..  trans-63.3117.2-177.3-73.5169.8-18.700111.7G108 A113G108-Q110 PolarHBondContact O-N 3.41Å; Q110-A113 HydrophobicContact CB-CB 4Å; Q110-A113 VanDerWaalsContact O-CB 3.26Å; Q110-A113 WeakPolarHBondContact O-CB 3.47Å; Q110-A113 PolarHBondContact O-N 3.04Å
111I96.2Very high96.5Very high32 Ų3239.8 Ų39.816%0.16421%0.213CC..THydrogen-bonded Turntrans-65.3-42-176.8-164.6167.4000113L105 A109 A113 P121 L137 N140 A142L105-I111 HydrophobicContact CD1-CD1 4.05Å; L105-I111 HydrophobicContact CD1-CG1 4.31Å; L105-I111 HydrophobicContact CD2-CB 3.86Å; L105-I111 HydrophobicContact CD2-CD1 4.45Å; L105-I111 HydrophobicContact CD2-CG1 3.99Å; A109-I111 PolarHBondContact O-N 2.95Å; I111-A113 VanDerWaalsContact C-N 3.33Å; I111-P121 WeakPolarHBondContact O-CD 3.42Å; I111-P121 WeakPolarHBondContact O-CG 3.43Å; I111-L137 HydrophobicContact CD1-CD2 4.06Å; I111-L137 WeakPolarHBondContact CD1-O 3.1Å; I111-L137 HydrophobicContact CG1-CD2 3.62Å; I111-N140 HydrophobicContact CD1-CB 3.54Å; I111-N140 WeakPolarHBondContact CD1-O 3.34Å; I111-A142 HydrophobicContact CD1-CB 3.84Å; I111-A142 HydrophobicContact CG1-CB 3.91Å
112D96.7Very high96.5Very high51 Ų5139.8 Ų39.827%0.27321%0.213SC..THydrogen-bonded Turntrans-97.230.6174.2-70.4-48.1000112.7R114 T120 C143D112-R114 PolarHBondContact O-N 2.87Å; D112-T120 HydrophobicContact CB-CG2 4.14Å; D112-C143 PolarHBondContact OD1-N 3.18Å; D112-C143 WeakPolarHBondContact OD2-CB 3.33Å; D112-C143 PolarHBondContact OD2-N 3.38Å
113A97Very high96.6Very high3 Ų337.1 Ų37.13%0.02520%0.2CC..  trans-52.6139.1166.100000110V89 H90 Q110 I111 T120 P121V89-A113 HydrophobicContact CG2-CB 4.05Å; H90-A113 PolarHBondContact NE2-O 3Å; H90-A113 VanDerWaalsContact NE2-O 3.11Å; Q110-A113 HydrophobicContact CB-CB 4Å; Q110-A113 VanDerWaalsContact O-CB 3.26Å; Q110-A113 WeakPolarHBondContact O-CB 3.47Å; Q110-A113 PolarHBondContact O-N 3.04Å; I111-A113 VanDerWaalsContact C-N 3.33Å; A113-T120 WeakPolarHBondContact O-CA 3.45Å; A113-P121 VanDerWaalsContact O-CD 3.3Å; A113-P121 WeakPolarHBondContact O-CD 3.38Å
114R97.4Very high96.5Very high129 Ų12936.6 Ų36.649%0.48720%0.197SC..  trans-111.8145.7177.6-62.3-171.8-170.7-161.74.9111.7R87 D112 T120 Q147R87-R114 PolarHBondContact NH1-O 3.14Å; D112-R114 PolarHBondContact O-N 2.87Å; R114-T120 HydrophobicContact CG-CG2 3.98Å; R114-Q147 PolarHBondContact NH1-O 3.08Å
115D96.4Very high96.4Very high9 Ų936.6 Ų36.65%0.04820%0.197CC..  trans-92.7-176.9170.884.9-12.6000112.7L84 R86 H90 F117 G118 N119 Y124L84-D115 WeakPolarHBondContact O-CB 3.41Å; R86-D115 HydrophobicContact CG-CB 3.55Å; R86-D115 IonicContact CZ-OD2 2.97Å; R86-D115 IonicContact NE-OD2 3.31Å; R86-D115 PolarHBondContact NE-OD2 3.11Å; R86-D115 IonicContact NH2-OD2 3.96Å; R86-D115 PolarHBondContact NH2-OD2 3.39Å; H90-D115 PolarHBondContact NE2-N 3.23Å; D115-F117 PolarHBondContact O-N 3.14Å; D115-F117 VanDerWaalsContact O-N 3.1Å; D115-F117 WeakPolarHBondContact OD1-CA 3.26Å; D115-F117 WeakPolarHBondContact OD1-CB 3.48Å; D115-F117 PolarHBondContact OD1-N 3.29Å; D115-G118 PolarHBondContact O-N 2.79Å; D115-G118 PolarHBondContact OD1-N 3.07Å; D115-N119 PolarHBondContact N-O 3.22Å; D115-N119 PolarHBondContact OD1-N 3.24Å; D115-N119 VanDerWaalsContact OD1-N 3.1Å; D115-Y124 PolarHBondContact OD2-OH 3.26Å
116T96.3Very high96.5Very high58 Ų5835.5 Ų35.536%0.35619%0.191SC..THydrogen-bonded Turntrans-57.7-22.5178.2420000114.1L84 Q85L84-T116 VanDerWaalsContact C-CG2 3.46Å; L84-T116 WeakPolarHBondContact CA-OG1 3.23Å; L84-T116 PolarHBondContact O-N 2.88Å; L84-T116 PolarHBondContact O-OG1 3.19Å; Q85-T116 HydrophobicContact CB-CG2 4.01Å; Q85-T116 HydrophobicContact CG-CG2 3.76Å
117F96.4Very high96.4Very high95 Ų9533 Ų3342%0.41718%0.175SC..THydrogen-bonded Turntrans-99.69.2177.4-53.6-69.1000111.8L84 D115 N119 D148 I149L84-F117 HydrophobicContact CD2-CE2 3.83Å; L84-F117 HydrophobicContact CD2-CZ 4.24Å; D115-F117 PolarHBondContact O-N 3.14Å; D115-F117 VanDerWaalsContact O-N 3.1Å; D115-F117 WeakPolarHBondContact OD1-CA 3.26Å; D115-F117 WeakPolarHBondContact OD1-CB 3.48Å; D115-F117 PolarHBondContact OD1-N 3.29Å; F117-N119 WeakPolarHBondContact CB-ND2 3.26Å; F117-N119 PolarHBondContact O-N 3.33Å; F117-D148 WeakPolarHBondContact O-CB 3.49Å; F117-I149 HydrophobicContact CD1-CD1 4.27Å; F117-I149 WeakPolarHBondContact O-CG1 3.42Å; F117-I149 PolarHBondContact O-N 3.1Å
118G97Very high96.2Very high6 Ų634.1 Ų34.16%0.06218%0.176CC..  trans73.8-0.8178.700000114.5D115 T120D115-G118 PolarHBondContact O-N 2.79Å; D115-G118 PolarHBondContact OD1-N 3.07Å; G118-T120 PolarHBondContact O-N 3.31Å
119N97.9Very high95.5Very high13 Ų1332.8 Ų32.87%0.0716%0.162CC..  trans-69.5131.5-177.7-63.9-85.3000109.2H90 D115 F117 H123 Y124 K157H90-N119 PolarHBondContact NE2-O 3.46Å; D115-N119 PolarHBondContact N-O 3.22Å; D115-N119 PolarHBondContact OD1-N 3.24Å; D115-N119 VanDerWaalsContact OD1-N 3.1Å; F117-N119 WeakPolarHBondContact CB-ND2 3.26Å; F117-N119 PolarHBondContact O-N 3.33Å; N119-H123 HydrophobicContact CB-CB 3.96Å; N119-Y124 HydrophobicContact CB-CD2 4.36Å; N119-Y124 HydrophobicContact CB-CE2 3.61Å; N119-K157 WeakPolarHBondContact OD1-CE 3.31Å; N119-K157 PolarHBondContact OD1-NZ 2.89Å
120T97.7Very high94.4Very high0 Ų034.4 Ų34.40%017%0.17CC..  trans-85.5163.6166.565.20000110.8D112 A113 R114 G118 L122 H123 A146D112-T120 HydrophobicContact CB-CG2 4.14Å; A113-T120 WeakPolarHBondContact O-CA 3.45Å; R114-T120 HydrophobicContact CG-CG2 3.98Å; G118-T120 PolarHBondContact O-N 3.31Å; T120-L122 PolarHBondContact O-N 3.25Å; T120-L122 PolarHBondContact OG1-N 3.18Å; T120-H123 PolarHBondContact N-ND1 3.06Å; T120-H123 VanDerWaalsContact N-ND1 3.14Å; T120-H123 WeakPolarHBondContact O-CB 3.13Å; T120-H123 PolarHBondContact O-N 3.2Å; T120-H123 PolarHBondContact OG1-ND1 3.07Å; T120-A146 HydrophobicContact CG2-CB 3.95Å
121P96.3Very high93.6Very high0 Ų030.7 Ų30.70%016%0.16CC..Hα-helixtrans-45-34.9167.2-33.437.7000114.4V89 A93 I111 A113 H123 Y124 A125 L137V89-P121 HydrophobicContact CB-CG 3.9Å; V89-P121 HydrophobicContact CG2-CG 3.69Å; A93-P121 HydrophobicContact CB-CB 4Å; I111-P121 WeakPolarHBondContact O-CD 3.42Å; I111-P121 WeakPolarHBondContact O-CG 3.43Å; A113-P121 VanDerWaalsContact O-CD 3.3Å; A113-P121 WeakPolarHBondContact O-CD 3.38Å; P121-H123 VanDerWaalsContact C-N 3.34Å; P121-H123 PolarHBondContact O-N 3.04Å; P121-Y124 PolarHBondContact O-N 3.2Å; P121-A125 PolarHBondContact O-N 3.45Å; P121-L137 HydrophobicContact CB-CD1 3.92Å; P121-L137 HydrophobicContact CB-CD2 3.9Å
122L97.2Very high93.2Very high0 Ų030.7 Ų30.70%017%0.167CC..Hα-helixtrans-67.1-31178.5-169.767.3000113.1T120 A126 L134 L137 L138 A142 P154 L170T120-L122 PolarHBondContact O-N 3.25Å; T120-L122 PolarHBondContact OG1-N 3.18Å; L122-A126 WeakPolarHBondContact O-CB 3.17Å; L122-A126 PolarHBondContact O-N 2.84Å; L122-L134 HydrophobicContact CD1-CD1 3.63Å; L122-L134 HydrophobicContact CD1-CG 4.29Å; L122-L137 HydrophobicContact CB-CD1 4.4Å; L122-L137 HydrophobicContact CD1-CB 3.81Å; L122-L137 HydrophobicContact CD1-CD1 4.33Å; L122-L138 HydrophobicContact CD1-CD2 3.91Å; L122-L138 HydrophobicContact CD1-CG 3.93Å; L122-L138 HydrophobicContact CD2-CD2 3.93Å; L122-A142 HydrophobicContact CB-CB 4.4Å; L122-A142 HydrophobicContact CD2-CB 4.11Å; L122-P154 HydrophobicContact CB-CG 4.25Å; L122-P154 HydrophobicContact CD2-CB 4.4Å; L122-P154 HydrophobicContact CD2-CG 3.92Å; L122-P154 HydrophobicContact CG-CB 4.12Å; L122-P154 HydrophobicContact CG-CG 3.89Å; L122-L170 HydrophobicContact CD2-CD2 4.33Å
123H97.4Very high93Very high2 Ų228.2 Ų28.21%0.00915%0.154CC..Hα-helixtrans-65.9-41.7173.5-67.871.5000111.5N119 T120 P121 A126 E127 A146 D148 K152N119-H123 HydrophobicContact CB-CB 3.96Å; T120-H123 PolarHBondContact N-ND1 3.06Å; T120-H123 VanDerWaalsContact N-ND1 3.14Å; T120-H123 WeakPolarHBondContact O-CB 3.13Å; T120-H123 PolarHBondContact O-N 3.2Å; T120-H123 PolarHBondContact OG1-ND1 3.07Å; P121-H123 VanDerWaalsContact C-N 3.34Å; P121-H123 PolarHBondContact O-N 3.04Å; H123-A126 PolarHBondContact O-N 3.47Å; H123-E127 WeakPolarHBondContact O-CB 3.48Å; H123-E127 PolarHBondContact O-N 2.96Å; H123-A146 PolarHBondContact CE1-O 2.75Å; H123-A146 PolarHBondContact NE2-O 2.79Å; H123-D148 PolarHBondContact NE2-N 3.23Å; H123-K152 PolarHBondContact NE2-O 2.89Å
124Y95.3Very high92.9Very high33 Ų3328.1 Ų28.113%0.12915%0.153CC..Hα-helixtrans-65.3-46.2177-72.5-71.7000111.5R86 L94 D115 N119 P121 A126 E127 D128R86-Y124 PolarHBondContact NH2-OH 3.42Å; L94-Y124 HydrophobicContact CB-CD1 4.44Å; L94-Y124 HydrophobicContact CD1-CD1 3.88Å; L94-Y124 HydrophobicContact CD1-CE1 4.11Å; D115-Y124 PolarHBondContact OD2-OH 3.26Å; N119-Y124 HydrophobicContact CB-CD2 4.36Å; N119-Y124 HydrophobicContact CB-CE2 3.61Å; P121-Y124 PolarHBondContact O-N 3.2Å; Y124-A126 VanDerWaalsContact C-N 3.31Å; Y124-A126 PolarHBondContact O-N 3.3Å; Y124-E127 PolarHBondContact O-N 3.41Å; Y124-D128 WeakPolarHBondContact O-CB 3.46Å; Y124-D128 PolarHBondContact O-N 3.33Å; Y124-D128 VanDerWaalsContact O-N 3.12Å
125A95.3Very high92.8Very high0 Ų023 Ų230%014%0.137CC..Hα-helixtrans-60.6-38.9175.600000112.8P121 G129 L133 L134 L137P121-A125 PolarHBondContact O-N 3.45Å; A125-G129 WeakPolarHBondContact O-CA 3.27Å; A125-G129 PolarHBondContact O-N 2.94Å; A125-L133 HydrophobicContact CB-CB 4.38Å; A125-L133 HydrophobicContact CB-CD2 3.53Å; A125-L133 HydrophobicContact CB-CG 3.93Å; A125-L134 HydrophobicContact CB-CB 4.22Å; A125-L134 HydrophobicContact CB-CD1 3.77Å; A125-L137 HydrophobicContact CB-CD1 3.86Å
126A96.6Very high92.7Very high0 Ų023.4 Ų23.40%014%0.139CC..Hα-helixtrans-74.1-35.6179.400000113.6L122 H123 Y124 L134 P154 A158 L170L122-A126 WeakPolarHBondContact O-CB 3.17Å; L122-A126 PolarHBondContact O-N 2.84Å; H123-A126 PolarHBondContact O-N 3.47Å; Y124-A126 VanDerWaalsContact C-N 3.31Å; Y124-A126 PolarHBondContact O-N 3.3Å; A126-L134 HydrophobicContact CB-CD1 3.94Å; A126-P154 HydrophobicContact CB-CB 3.66Å; A126-P154 VanDerWaalsContact CB-O 3.32Å; A126-P154 WeakPolarHBondContact CB-O 3.32Å; A126-A158 HydrophobicContact CB-CB 4.2Å; A126-A158 VanDerWaalsContact O-CA 3.26Å; A126-A158 WeakPolarHBondContact O-CA 3.48Å; A126-A158 WeakPolarHBondContact O-CB 3.5Å; A126-L170 HydrophobicContact CB-CD1 3.93Å
127E94.7Very high92.7Very high70 Ų7020.7 Ų20.733%0.32712%0.122SC..Hα-helixtrans-69.7-38.7177-172.1159149.100112.6H123 Y124 K157 R160 S161 K163H123-E127 WeakPolarHBondContact O-CB 3.48Å; H123-E127 PolarHBondContact O-N 2.96Å; Y124-E127 PolarHBondContact O-N 3.41Å; E127-K157 HydrophobicContact CB-CB 4.08Å; E127-K157 WeakPolarHBondContact OE2-CD 3.12Å; E127-R160 IonicContact OE1-CZ 3.5Å; E127-R160 IonicContact OE1-NH2 2.86Å; E127-R160 PolarHBondContact OE1-NH2 2.68Å; E127-R160 IonicContact OE2-CZ 3.8Å; E127-R160 IonicContact OE2-NH2 3.19Å; E127-R160 PolarHBondContact OE2-NH2 2.99Å; E127-S161 WeakPolarHBondContact CG-OG 3.45Å; E127-S161 VanDerWaalsContact O-CB 3.25Å; E127-S161 WeakPolarHBondContact O-CB 3.19Å; E127-S161 PolarHBondContact O-OG 2.89Å; E127-K163 VanDerWaalsContact O-CE 3.25Å; E127-K163 WeakPolarHBondContact O-CE 3.24Å
128D90.6Very high92.7Very high59 Ų5916.4 Ų16.432%0.31610%0.104SC..Hα-helixtrans-80.2-42.4179.1175.688.4000112.5Q96 Y124 D130 K163Q96-D128 VanDerWaalsContact CD-OD2 3.31Å; Q96-D128 WeakPolarHBondContact CG-OD2 3.49Å; Q96-D128 PolarHBondContact NE2-OD1 3.31Å; Q96-D128 PolarHBondContact NE2-OD2 3.24Å; Y124-D128 WeakPolarHBondContact O-CB 3.46Å; Y124-D128 PolarHBondContact O-N 3.33Å; Y124-D128 VanDerWaalsContact O-N 3.12Å; D128-D130 PolarHBondContact OD2-N 3.41Å; D128-K163 WeakPolarHBondContact O-CD 3.49Å; D128-K163 WeakPolarHBondContact O-CE 3.34Å; D128-K163 PolarHBondContact O-NZ 3Å
129G81.2Confident92.6Very high18 Ų1821.4 Ų21.419%0.18613%0.129CC..  trans92.29170.900000116.7A125 G131A125-G129 WeakPolarHBondContact O-CA 3.27Å; A125-G129 PolarHBondContact O-N 2.94Å; G129-G131 PolarHBondContact O-N 3.33Å
130D72.9Confident92.5Very high42 Ų4224.3 Ų24.323%0.22514%0.144CC..  trans-55133.8171.2171.638000112.6Q96 D128 G132 L133 L134Q96-D130 HydrophobicContact CG-CB 4.07Å; D128-D130 PolarHBondContact OD2-N 3.41Å; D130-G132 PolarHBondContact OD1-N 3.49Å; D130-G132 PolarHBondContact OD2-N 3.02Å; D130-L133 HydrophobicContact CB-CB 4.32Å; D130-L133 WeakPolarHBondContact OD2-CB 3.07Å; D130-L133 PolarHBondContact OD2-N 3.44Å; D130-L134 WeakPolarHBondContact O-CB 3.49Å; D130-L134 PolarHBondContact O-N 2.83Å
131G78.7Confident92.4Very high25 Ų2527 Ų2726%0.25817%0.172SC..Hα-helixtrans-73.5-31.3179.700000114.7G129 S135 W165G129-G131 PolarHBondContact O-N 3.33Å; G131-S135 VanDerWaalsContact O-CB 3.26Å; G131-S135 WeakPolarHBondContact O-CB 3.44Å; G131-S135 PolarHBondContact O-N 3.01Å; G131-S135 PolarHBondContact O-OG 3.07Å; G131-W165 VanDerWaalsContact CA-CZ3 3.43Å; G131-W165 VanDerWaalsContact O-CH2 3.23Å; G131-W165 WeakPolarHBondContact O-CH2 3.36Å
132G88.9Confident92.4Very high31 Ų3127.2 Ų27.232%0.3217%0.174SC..Hα-helixtrans-71.7-58.8179.800000111.5D130 L134 S135 L136D130-G132 PolarHBondContact OD1-N 3.49Å; D130-G132 PolarHBondContact OD2-N 3.02Å; G132-L134 PolarHBondContact O-N 3.18Å; G132-S135 PolarHBondContact O-N 2.97Å; G132-L136 WeakPolarHBondContact O-CB 3.47Å; G132-L136 PolarHBondContact O-N 3.18Å
133L92.5Very high92.4Very high0 Ų030.3 Ų30.30%020%0.195CC..Hα-helixtrans-59.3-44.8-176.3-168.579.9000113A93 V98 L101 A125 D130 L136 L137A93-L133 HydrophobicContact CB-CD2 3.98Å; A93-L133 VanDerWaalsContact O-CD2 3.24Å; A93-L133 WeakPolarHBondContact O-CD2 3.48Å; V98-L133 HydrophobicContact CG2-CB 4.17Å; V98-L133 HydrophobicContact CG2-CD1 4.42Å; L101-L133 HydrophobicContact CB-CD1 4.31Å; L101-L133 HydrophobicContact CD2-CD1 3.48Å; L101-L133 VanDerWaalsContact CD2-CD1 3.48Å; L101-L133 HydrophobicContact CD2-CG 4.27Å; A125-L133 HydrophobicContact CB-CB 4.38Å; A125-L133 HydrophobicContact CB-CD2 3.53Å; A125-L133 HydrophobicContact CB-CG 3.93Å; D130-L133 HydrophobicContact CB-CB 4.32Å; D130-L133 WeakPolarHBondContact OD2-CB 3.07Å; D130-L133 PolarHBondContact OD2-N 3.44Å; L133-L136 PolarHBondContact O-N 3.01Å; L133-L137 HydrophobicContact CG-CD1 4.46Å; L133-L137 WeakPolarHBondContact O-CG 3.47Å; L133-L137 PolarHBondContact O-N 3.1Å; L133-L137 VanDerWaalsContact O-N 3.09Å
134L94.9Very high92.4Very high0 Ų031.4 Ų31.40%020%0.202CC..Hα-helixtrans-67.8-42.1179.3-16686.7000111.5L122 A125 A126 D130 G132 L136 L137 L138 W165 A166 R169 L170L122-L134 HydrophobicContact CD1-CD1 3.63Å; L122-L134 HydrophobicContact CD1-CG 4.29Å; A125-L134 HydrophobicContact CB-CB 4.22Å; A125-L134 HydrophobicContact CB-CD1 3.77Å; A126-L134 HydrophobicContact CB-CD1 3.94Å; D130-L134 WeakPolarHBondContact O-CB 3.49Å; D130-L134 PolarHBondContact O-N 2.83Å; G132-L134 PolarHBondContact O-N 3.18Å; L134-L136 VanDerWaalsContact C-N 3.32Å; L134-L136 PolarHBondContact O-N 3.37Å; L134-L137 PolarHBondContact O-N 2.91Å; L134-L138 HydrophobicContact CD2-CD1 4.16Å; L134-L138 HydrophobicContact CG-CD1 3.97Å; L134-L138 WeakPolarHBondContact O-CB 3.3Å; L134-L138 VanDerWaalsContact O-CG 3.31Å; L134-L138 WeakPolarHBondContact O-CG 3.41Å; L134-L138 PolarHBondContact O-N 3.23Å; L134-W165 HydrophobicContact CB-CZ3 4.06Å; L134-W165 HydrophobicContact CD2-CE3 4.3Å; L134-W165 HydrophobicContact CD2-CZ3 3.62Å; L134-W165 HydrophobicContact CG-CZ3 4.45Å; L134-A166 HydrophobicContact CD2-CB 3.8Å; L134-R169 HydrophobicContact CD2-CB 4.08Å; L134-L170 HydrophobicContact CD1-CD2 4.49Å; L134-L170 HydrophobicContact CD2-CG 4.33Å
135S94.4Very high92.6Very high23 Ų2332 Ų3216%0.16121%0.208CC..Hα-helixtrans-62-42.1175.5-65.40000111.7G131 G132 N139 W165 R169G131-S135 VanDerWaalsContact O-CB 3.26Å; G131-S135 WeakPolarHBondContact O-CB 3.44Å; G131-S135 PolarHBondContact O-N 3.01Å; G131-S135 PolarHBondContact O-OG 3.07Å; G132-S135 PolarHBondContact O-N 2.97Å; S135-N139 WeakPolarHBondContact O-CB 3.3Å; S135-N139 PolarHBondContact O-N 3.43Å; S135-N139 PolarHBondContact O-OD1 2.86Å; S135-W165 WeakPolarHBondContact OG-CH2 3.22Å; S135-R169 PolarHBondContact OG-NH2 2.84Å
136L94.9Very high92.7Very high17 Ų1732.2 Ų32.29%0.08921%0.209CC..Hα-helixtrans-59.5-51178.6-172.4162.9000110.5V98 L101 Q102 L105 G132 L133 L134 N139 N140V98-L136 HydrophobicContact CG1-CD1 3.49Å; V98-L136 VanDerWaalsContact CG1-CD1 3.49Å; V98-L136 WeakPolarHBondContact O-CD1 3.36Å; L101-L136 HydrophobicContact CD2-CD2 3.96Å; L101-L136 HydrophobicContact CG-CD2 4.06Å; Q102-L136 HydrophobicContact CB-CD1 4Å; L105-L136 HydrophobicContact CD1-CD2 3.58Å; G132-L136 WeakPolarHBondContact O-CB 3.47Å; G132-L136 PolarHBondContact O-N 3.18Å; L133-L136 PolarHBondContact O-N 3.01Å; L134-L136 VanDerWaalsContact C-N 3.32Å; L134-L136 PolarHBondContact O-N 3.37Å; L136-N139 PolarHBondContact O-N 3.45Å; L136-N140 WeakPolarHBondContact O-CB 3.41Å; L136-N140 PolarHBondContact O-N 2.91Å; L136-N140 PolarHBondContact O-ND2 3.31Å
137L96.6Very high92.8Very high0 Ų035.3 Ų35.30%022%0.223CC..Hα-helixtrans-61.7-46.7179.8-74.6165.4000112.6L101 I111 P121 L122 A125 L133 L134 N140 G141 A142L101-L137 HydrophobicContact CD2-CD1 4.1Å; L101-L137 HydrophobicContact CD2-CD2 3.8Å; L101-L137 HydrophobicContact CD2-CG 3.78Å; I111-L137 HydrophobicContact CD1-CD2 4.06Å; I111-L137 WeakPolarHBondContact CD1-O 3.1Å; I111-L137 HydrophobicContact CG1-CD2 3.62Å; P121-L137 HydrophobicContact CB-CD1 3.92Å; P121-L137 HydrophobicContact CB-CD2 3.9Å; L122-L137 HydrophobicContact CB-CD1 4.4Å; L122-L137 HydrophobicContact CD1-CB 3.81Å; L122-L137 HydrophobicContact CD1-CD1 4.33Å; A125-L137 HydrophobicContact CB-CD1 3.86Å; L133-L137 HydrophobicContact CG-CD1 4.46Å; L133-L137 WeakPolarHBondContact O-CG 3.47Å; L133-L137 PolarHBondContact O-N 3.1Å; L133-L137 VanDerWaalsContact O-N 3.09Å; L134-L137 PolarHBondContact O-N 2.91Å; L137-N140 PolarHBondContact O-N 3.05Å; L137-G141 PolarHBondContact O-N 3.13Å; L137-A142 HydrophobicContact CB-CB 4.05Å; L137-A142 WeakPolarHBondContact O-CB 3.49Å; L137-A142 PolarHBondContact O-N 3.33Å
138L96.4Very high92.9Very high6 Ų632.4 Ų32.43%0.03121%0.21CC..Hα-helixtrans-65.1-42.6178.9-68.7171.8000112.2L122 L134 N140 G141 V144 L170 F173L122-L138 HydrophobicContact CD1-CD2 3.91Å; L122-L138 HydrophobicContact CD1-CG 3.93Å; L122-L138 HydrophobicContact CD2-CD2 3.93Å; L134-L138 HydrophobicContact CD2-CD1 4.16Å; L134-L138 HydrophobicContact CG-CD1 3.97Å; L134-L138 WeakPolarHBondContact O-CB 3.3Å; L134-L138 VanDerWaalsContact O-CG 3.31Å; L134-L138 WeakPolarHBondContact O-CG 3.41Å; L134-L138 PolarHBondContact O-N 3.23Å; L138-N140 VanDerWaalsContact C-N 3.3Å; L138-N140 PolarHBondContact O-N 3.21Å; L138-G141 PolarHBondContact O-N 3.01Å; L138-G141 VanDerWaalsContact O-N 3.14Å; L138-V144 HydrophobicContact CD2-CB 4.5Å; L138-V144 HydrophobicContact CD2-CG1 4.2Å; L138-V144 HydrophobicContact CD2-CG2 3.92Å; L138-L170 HydrophobicContact CD1-CD2 4.28Å; L138-L170 HydrophobicContact CD2-CD2 4.16Å; L138-F173 HydrophobicContact CB-CD1 3.8Å; L138-F173 HydrophobicContact CB-CD2 4.1Å; L138-F173 HydrophobicContact CB-CE1 3.75Å; L138-F173 HydrophobicContact CB-CE2 4.05Å; L138-F173 HydrophobicContact CB-CG 3.98Å; L138-F173 HydrophobicContact CB-CZ 3.88Å; L138-F173 HydrophobicContact CD1-CB 4.38Å; L138-F173 HydrophobicContact CD1-CD2 3.88Å; L138-F173 HydrophobicContact CD1-CE2 4.35Å; L138-F173 HydrophobicContact CD1-CG 4.09Å; L138-F173 HydrophobicContact CD2-CB 4.1Å; L138-F173 HydrophobicContact CD2-CD1 4.34Å; L138-F173 HydrophobicContact CD2-CG 4.16Å; L138-F173 HydrophobicContact CG-CD2 4.47Å; L138-F173 HydrophobicContact CG-CG 4.3Å; L138-F173 WeakPolarHBondContact O-CE1 3.26Å
139N95.3Very high93.3Very high110 Ų11033.4 Ų33.459%0.58822%0.215SC*.Hα-helixtrans-66.2-29.2176.8-69.54.6000112.9S135 L136 G141 F173S135-N139 WeakPolarHBondContact O-CB 3.3Å; S135-N139 PolarHBondContact O-N 3.43Å; S135-N139 PolarHBondContact O-OD1 2.86Å; L136-N139 PolarHBondContact O-N 3.45Å; N139-G141 VanDerWaalsContact C-N 3.28Å; N139-F173 WeakPolarHBondContact OD1-CZ 3.4Å
140N95.4Very high94.1Very high74 Ų7434.6 Ų34.640%0.39622%0.218SC..THydrogen-bonded Turntrans-88.511.6175.6-73.1-102.8000112.6Q102 L105 I111 L136 L137 L138Q102-N140 PolarHBondContact NE2-OD1 3.11Å; L105-N140 HydrophobicContact CD1-CB 4.14Å; I111-N140 HydrophobicContact CD1-CB 3.54Å; I111-N140 WeakPolarHBondContact CD1-O 3.34Å; L136-N140 WeakPolarHBondContact O-CB 3.41Å; L136-N140 PolarHBondContact O-N 2.91Å; L136-N140 PolarHBondContact O-ND2 3.31Å; L137-N140 PolarHBondContact O-N 3.05Å; L138-N140 VanDerWaalsContact C-N 3.3Å; L138-N140 PolarHBondContact O-N 3.21Å
141G94.8Very high95.3Very high57 Ų5735.5 Ų35.559%0.58822%0.224SC*.THydrogen-bonded Turntrans84.423.7170.800000116.2L137 L138 N139L137-G141 PolarHBondContact O-N 3.13Å; L138-G141 PolarHBondContact O-N 3.01Å; L138-G141 VanDerWaalsContact O-N 3.14Å; N139-G141 VanDerWaalsContact C-N 3.28Å
142A97Very high96.2Very high5 Ų535.9 Ų35.94%0.04122%0.218CC..  trans-60.2138.5174.200000111.9I111 L122 L137 V144I111-A142 HydrophobicContact CD1-CB 3.84Å; I111-A142 HydrophobicContact CG1-CB 3.91Å; L122-A142 HydrophobicContact CB-CB 4.4Å; L122-A142 HydrophobicContact CD2-CB 4.11Å; L137-A142 HydrophobicContact CB-CB 4.05Å; L137-A142 WeakPolarHBondContact O-CB 3.49Å; L137-A142 PolarHBondContact O-N 3.33Å; A142-V144 PolarHBondContact O-N 2.93Å
143C97.4Very high96.7Very high64 Ų6434.4 Ų34.443%0.43220%0.203SC..  trans-65.8106.6-179-177.90000111.4D112 D145 A146D112-C143 PolarHBondContact OD1-N 3.18Å; D112-C143 WeakPolarHBondContact OD2-CB 3.33Å; D112-C143 PolarHBondContact OD2-N 3.38Å; C143-D145 VanDerWaalsContact C-N 3.33Å; C143-D145 PolarHBondContact O-N 3.24Å; C143-A146 HydrophobicContact CB-CB 4.11Å; C143-A146 WeakPolarHBondContact O-CB 3.44Å; C143-A146 PolarHBondContact O-N 2.89Å
144V97.7Very high96.9Very high26 Ų2634.4 Ų34.416%0.15820%0.203CC..THydrogen-bonded Turntrans-60.2-41.2-170.1-165.60000112.5L138 A142 P154 L170 F173 A175L138-V144 HydrophobicContact CD2-CB 4.5Å; L138-V144 HydrophobicContact CD2-CG1 4.2Å; L138-V144 HydrophobicContact CD2-CG2 3.92Å; A142-V144 PolarHBondContact O-N 2.93Å; V144-P154 WeakPolarHBondContact O-CD 3.44Å; V144-L170 HydrophobicContact CG1-CD2 3.92Å; V144-F173 HydrophobicContact CG1-CB 4.36Å; V144-F173 HydrophobicContact CG2-CB 4.13Å; V144-A175 HydrophobicContact CG1-CB 3.63Å
145D97.9Very high97.1Very high46 Ų4634.4 Ų34.425%0.24620%0.203CC..THydrogen-bonded Turntrans-10127.5177.1-68.7-40.9000112.7C143 Q147 T153 N176C143-D145 VanDerWaalsContact C-N 3.33Å; C143-D145 PolarHBondContact O-N 3.24Å; D145-Q147 PolarHBondContact O-N 2.88Å; D145-T153 HydrophobicContact CB-CG2 4.36Å; D145-N176 VanDerWaalsContact CG-N 3.34Å; D145-N176 PolarHBondContact OD1-N 3.18Å; D145-N176 WeakPolarHBondContact OD2-CB 3.25Å; D145-N176 PolarHBondContact OD2-N 2.91Å
146A98.1Very high97.3Very high4 Ų433.5 Ų33.53%0.03320%0.196CC..  trans-52.4142.7168.100000110.4T120 H123 C143 T153 P154T120-A146 HydrophobicContact CG2-CB 3.95Å; H123-A146 PolarHBondContact CE1-O 2.75Å; H123-A146 PolarHBondContact NE2-O 2.79Å; C143-A146 HydrophobicContact CB-CB 4.11Å; C143-A146 WeakPolarHBondContact O-CB 3.44Å; C143-A146 PolarHBondContact O-N 2.89Å; A146-T153 WeakPolarHBondContact O-CA 3.22Å; A146-P154 VanDerWaalsContact O-CD 3.22Å; A146-P154 WeakPolarHBondContact O-CD 3.4Å
147Q98.2Very high97.4Very high64 Ų6433.6 Ų33.630%0.29920%0.196SC..  trans-116.4131.1-175.4-75.9-17715.900112.3R114 D145 K152 T153R114-Q147 PolarHBondContact NH1-O 3.08Å; D145-Q147 PolarHBondContact O-N 2.88Å; Q147-K152 WeakPolarHBondContact CA-O 3.41Å; Q147-T153 HydrophobicContact CG-CG2 4.06Å
148D97.9Very high97.4Very high10 Ų1033.6 Ų33.65%0.05320%0.196CC..  trans-69.3175.1168.990.1-4000111.9F117 H123 T150 N151 K152 K157F117-D148 WeakPolarHBondContact O-CB 3.49Å; H123-D148 PolarHBondContact NE2-N 3.23Å; D148-T150 PolarHBondContact O-N 2.88Å; D148-T150 VanDerWaalsContact O-N 3.08Å; D148-T150 VanDerWaalsContact OD1-C 3.22Å; D148-T150 WeakPolarHBondContact OD1-CA 3.3Å; D148-T150 WeakPolarHBondContact OD1-CB 3.45Å; D148-T150 PolarHBondContact OD1-N 2.95Å; D148-T150 PolarHBondContact OD1-OG1 3.12Å; D148-T150 PolarHBondContact OD2-OG1 2.95Å; D148-N151 WeakPolarHBondContact O-CA 3.44Å; D148-N151 PolarHBondContact O-N 3.01Å; D148-N151 PolarHBondContact OD1-N 3.38Å; D148-K152 PolarHBondContact N-O 2.76Å; D148-K152 PolarHBondContact OD1-N 3.26Å; D148-K157 VanDerWaalsContact OD2-CE 3.24Å; D148-K157 WeakPolarHBondContact OD2-CE 3.05Å; D148-K157 IonicContact OD2-NZ 3.01Å; D148-K157 PolarHBondContact OD2-NZ 3.15Å
149I97.8Very high97.5Very high79 Ų7933.3 Ų33.341%0.40519%0.194SC..THydrogen-bonded Turntrans-59.9-24.4-178.760.4170.4000112.9F117 N151 R182F117-I149 HydrophobicContact CD1-CD1 4.27Å; F117-I149 WeakPolarHBondContact O-CG1 3.42Å; F117-I149 PolarHBondContact O-N 3.1Å; I149-N151 VanDerWaalsContact C-N 3.29Å; I149-R182 PolarHBondContact O-NE 3.2Å; I149-R182 PolarHBondContact O-NH2 2.89Å
150T97.6Very high97.6Very high43 Ų4333.2 Ų33.226%0.26419%0.186SC..THydrogen-bonded Turntrans-9319.5175.669.80000112.9D148 K152 D181 R182D148-T150 PolarHBondContact O-N 2.88Å; D148-T150 VanDerWaalsContact O-N 3.08Å; D148-T150 VanDerWaalsContact OD1-C 3.22Å; D148-T150 WeakPolarHBondContact OD1-CA 3.3Å; D148-T150 WeakPolarHBondContact OD1-CB 3.45Å; D148-T150 PolarHBondContact OD1-N 2.95Å; D148-T150 PolarHBondContact OD1-OG1 3.12Å; D148-T150 PolarHBondContact OD2-OG1 2.95Å; T150-K152 PolarHBondContact O-N 2.78Å; T150-K152 VanDerWaalsContact OG1-CD 3.28Å; T150-K152 WeakPolarHBondContact OG1-CD 3.44Å; T150-K152 WeakPolarHBondContact OG1-CE 3.43Å; T150-K152 WeakPolarHBondContact OG1-CG 3.39Å; T150-K152 PolarHBondContact OG1-NZ 3Å; T150-D181 WeakPolarHBondContact O-CB 3.23Å; T150-R182 WeakPolarHBondContact O-CB 3.38Å; T150-R182 PolarHBondContact O-N 3.36Å
151N98.2Very high97.7Very high62 Ų6231.3 Ų31.333%0.33218%0.178SC..  trans60.215.8-178.6-56.513.2000114.4D148 I149 R182D148-N151 WeakPolarHBondContact O-CA 3.44Å; D148-N151 PolarHBondContact O-N 3.01Å; D148-N151 PolarHBondContact OD1-N 3.38Å; I149-N151 VanDerWaalsContact C-N 3.29Å; N151-R182 HydrophobicContact CB-CG 4.35Å
152K98.5Very high97.8Very high32 Ų3229.6 Ų29.614%0.13916%0.16CC..  trans-77.5138.1178.3-67.1168.2179.544.60110.2H123 Q147 D148 T150 M156 D181 Y190H123-K152 PolarHBondContact NE2-O 2.89Å; Q147-K152 WeakPolarHBondContact CA-O 3.41Å; D148-K152 PolarHBondContact N-O 2.76Å; D148-K152 PolarHBondContact OD1-N 3.26Å; T150-K152 PolarHBondContact O-N 2.78Å; T150-K152 VanDerWaalsContact OG1-CD 3.28Å; T150-K152 WeakPolarHBondContact OG1-CD 3.44Å; T150-K152 WeakPolarHBondContact OG1-CE 3.43Å; T150-K152 WeakPolarHBondContact OG1-CG 3.39Å; T150-K152 PolarHBondContact OG1-NZ 3Å; K152-M156 HydrophobicContact CB-CB 4.49Å; K152-M156 HydrophobicContact CB-SD 4.1Å; K152-M156 HydrophobicContact CG-SD 4.21Å; K152-D181 WeakPolarHBondContact CE-OD2 3.38Å; K152-D181 HydrophobicContact CG-CB 3.74Å; K152-D181 IonicContact NZ-OD2 2.76Å; K152-D181 PolarHBondContact NZ-OD2 2.92Å; K152-Y190 WeakPolarHBondContact CE-OH 3.4Å; K152-Y190 PolarHBondContact NZ-OH 2.61Å
153T98.5Very high97.7Very high1 Ų132.9 Ų32.91%0.00617%0.174CC..  trans-92.6163.1172.6640000112D145 A146 Q147 L155 M156 K157 V179D145-T153 HydrophobicContact CB-CG2 4.36Å; A146-T153 WeakPolarHBondContact O-CA 3.22Å; Q147-T153 HydrophobicContact CG-CG2 4.06Å; T153-L155 PolarHBondContact O-N 2.91Å; T153-M156 WeakPolarHBondContact O-CB 3.36Å; T153-M156 PolarHBondContact O-N 2.91Å; T153-K157 WeakPolarHBondContact O-CG 3.36Å; T153-K157 PolarHBondContact O-N 3.34Å; T153-V179 HydrophobicContact CG2-CB 4.15Å; T153-V179 HydrophobicContact CG2-CG1 3.7Å; T153-V179 HydrophobicContact CG2-CG2 4.4Å
154P97.9Very high97.7Very high0 Ų032.3 Ų32.30%017%0.168CC..Hα-helixtrans-49.5-37.4169.4-29.635.5000113.2L122 A126 V144 A146 M156 K157 A158 L170L122-P154 HydrophobicContact CB-CG 4.25Å; L122-P154 HydrophobicContact CD2-CB 4.4Å; L122-P154 HydrophobicContact CD2-CG 3.92Å; L122-P154 HydrophobicContact CG-CB 4.12Å; L122-P154 HydrophobicContact CG-CG 3.89Å; A126-P154 HydrophobicContact CB-CB 3.66Å; A126-P154 VanDerWaalsContact CB-O 3.32Å; A126-P154 WeakPolarHBondContact CB-O 3.32Å; V144-P154 WeakPolarHBondContact O-CD 3.44Å; A146-P154 VanDerWaalsContact O-CD 3.22Å; A146-P154 WeakPolarHBondContact O-CD 3.4Å; P154-M156 VanDerWaalsContact C-N 3.35Å; P154-M156 PolarHBondContact O-N 3.02Å; P154-K157 WeakPolarHBondContact O-CB 3.26Å; P154-K157 PolarHBondContact O-N 3.48Å; P154-A158 PolarHBondContact O-N 3.06Å; P154-L170 HydrophobicContact CB-CD1 4.04Å; P154-L170 HydrophobicContact CB-CD2 4.09Å
155L98.3Very high97.6Very high0 Ų036.3 Ų36.30%018%0.18CC..Hα-helixtrans-61.9-39.9178.1-176.367.6000112.4T153 A159 V167 L170 L171 A175 V177 A187 L203T153-L155 PolarHBondContact O-N 2.91Å; L155-A159 VanDerWaalsContact O-CB 3.3Å; L155-A159 WeakPolarHBondContact O-CB 3.48Å; L155-A159 PolarHBondContact O-N 2.94Å; L155-V167 HydrophobicContact CD1-CB 4.42Å; L155-V167 HydrophobicContact CD1-CG1 4Å; L155-V167 HydrophobicContact CD1-CG2 4.41Å; L155-L170 HydrophobicContact CB-CD1 4.35Å; L155-L170 HydrophobicContact CD1-CB 4.09Å; L155-L170 HydrophobicContact CD1-CD1 4.43Å; L155-L171 HydrophobicContact CD1-CD2 4.2Å; L155-L171 HydrophobicContact CD1-CG 4.26Å; L155-L171 HydrophobicContact CD2-CD2 4.18Å; L155-A175 HydrophobicContact CB-CB 4.35Å; L155-A175 HydrophobicContact CD2-CB 4.08Å; L155-V177 HydrophobicContact CD2-CB 4.42Å; L155-V177 HydrophobicContact CD2-CG1 4.01Å; L155-A187 HydrophobicContact CD2-CB 3.88Å; L155-A187 HydrophobicContact CG-CB 3.91Å; L155-L203 HydrophobicContact CD1-CD2 4.32Å; L155-L203 HydrophobicContact CD2-CD2 4.09Å; L155-L203 HydrophobicContact CG-CD2 4.42Å
156M98.5Very high97.5Very high3 Ų334.1 Ų34.12%0.01517%0.169CC..Hα-helixtrans-68-38.5175.5-62.4172.6-176.500111.9K152 T153 P154 A159 R160 V179 D181 E185 A187 Y190K152-M156 HydrophobicContact CB-CB 4.49Å; K152-M156 HydrophobicContact CB-SD 4.1Å; K152-M156 HydrophobicContact CG-SD 4.21Å; T153-M156 WeakPolarHBondContact O-CB 3.36Å; T153-M156 PolarHBondContact O-N 2.91Å; P154-M156 VanDerWaalsContact C-N 3.35Å; P154-M156 PolarHBondContact O-N 3.02Å; M156-A159 PolarHBondContact O-N 3.48Å; M156-R160 WeakPolarHBondContact O-CB 3.33Å; M156-R160 PolarHBondContact O-N 2.99Å; M156-V179 HydrophobicContact CE-CB 4.12Å; M156-V179 HydrophobicContact CE-CG1 3.97Å; M156-V179 WeakPolarHBondContact CE-O 3.32Å; M156-D181 HydrophobicContact CE-CB 4.31Å; M156-D181 HydrophobicContact SD-CB 3.85Å; M156-E185 WeakPolarHBondContact CE-O 3.28Å; M156-A187 HydrophobicContact CG-CB 4.21Å; M156-Y190 HydrophobicContact CB-CD2 3.96Å; M156-Y190 HydrophobicContact CB-CE2 4.22Å; M156-Y190 HydrophobicContact CG-CD2 4.17Å; M156-Y190 HydrophobicContact CG-CE2 4.39Å; M156-Y190 HydrophobicContact SD-CE2 4.31Å
157K97.4Very high97.5Very high19 Ų1933.9 Ų33.98%0.08317%0.167CC..Hα-helixtrans-62.4-47.7175.2-55.4-82.1179.1160.10110.6N119 E127 D148 T153 P154 R160 S161N119-K157 WeakPolarHBondContact OD1-CE 3.31Å; N119-K157 PolarHBondContact OD1-NZ 2.89Å; E127-K157 HydrophobicContact CB-CB 4.08Å; E127-K157 WeakPolarHBondContact OE2-CD 3.12Å; D148-K157 VanDerWaalsContact OD2-CE 3.24Å; D148-K157 WeakPolarHBondContact OD2-CE 3.05Å; D148-K157 IonicContact OD2-NZ 3.01Å; D148-K157 PolarHBondContact OD2-NZ 3.15Å; T153-K157 WeakPolarHBondContact O-CG 3.36Å; T153-K157 PolarHBondContact O-N 3.34Å; P154-K157 WeakPolarHBondContact O-CB 3.26Å; P154-K157 PolarHBondContact O-N 3.48Å; K157-R160 PolarHBondContact O-N 3.44Å; K157-S161 WeakPolarHBondContact O-CB 3.33Å; K157-S161 PolarHBondContact O-N 3.22Å; K157-S161 PolarHBondContact O-OG 3.47Å
158A97.6Very high97.4Very high0 Ų037.4 Ų37.40%018%0.177CC..Hα-helixtrans-62.6-42.5176.400000112.8A126 P154 S161 G162 K163 A166 V167 L170A126-A158 HydrophobicContact CB-CB 4.2Å; A126-A158 VanDerWaalsContact O-CA 3.26Å; A126-A158 WeakPolarHBondContact O-CA 3.48Å; A126-A158 WeakPolarHBondContact O-CB 3.5Å; P154-A158 PolarHBondContact O-N 3.06Å; A158-S161 CarbonylContact O-C 3.48Å; A158-S161 PolarHBondContact O-N 2.97Å; A158-G162 PolarHBondContact O-N 3.38Å; A158-G162 VanDerWaalsContact O-N 3.12Å; A158-K163 HydrophobicContact CB-CB 4.33Å; A158-K163 PolarHBondContact O-N 3.48Å; A158-A166 HydrophobicContact CB-CB 4.07Å; A158-V167 HydrophobicContact CB-CG2 3.72Å; A158-L170 HydrophobicContact CB-CD1 4.18Å
159A98.1Very high97.4Very high0 Ų039.5 Ų39.50%019%0.185CC..Hα-helixtrans-62.5-47.8176.500000111.8L155 M156 S161 G162 A191 I199L155-A159 VanDerWaalsContact O-CB 3.3Å; L155-A159 WeakPolarHBondContact O-CB 3.48Å; L155-A159 PolarHBondContact O-N 2.94Å; M156-A159 PolarHBondContact O-N 3.48Å; A159-S161 VanDerWaalsContact C-N 3.31Å; A159-S161 PolarHBondContact O-N 3.22Å; A159-G162 PolarHBondContact O-N 3Å; A159-A191 HydrophobicContact CB-CB 4.41Å; A159-I199 HydrophobicContact CB-CG2 4.11Å
160R97.4Very high97.4Very high108 Ų10835.8 Ų35.841%0.40817%0.165SC..Hα-helixtrans-59.5-39.2176.6-175.3-176.864.379-7.2112.5E127 M156 K157 G162 Y190 Q194E127-R160 IonicContact OE1-CZ 3.5Å; E127-R160 IonicContact OE1-NH2 2.86Å; E127-R160 PolarHBondContact OE1-NH2 2.68Å; E127-R160 IonicContact OE2-CZ 3.8Å; E127-R160 IonicContact OE2-NH2 3.19Å; E127-R160 PolarHBondContact OE2-NH2 2.99Å; M156-R160 WeakPolarHBondContact O-CB 3.33Å; M156-R160 PolarHBondContact O-N 2.99Å; K157-R160 PolarHBondContact O-N 3.44Å; R160-G162 VanDerWaalsContact C-N 3.32Å; R160-Y190 HydrophobicContact CB-CD1 3.81Å; R160-Y190 HydrophobicContact CB-CG 4.33Å; R160-Y190 HydrophobicContact CG-CD1 4.01Å; R160-Q194 WeakPolarHBondContact O-CG 3.33Å
161S96.3Very high97.3Very high35 Ų3535.5 Ų35.525%0.24516%0.162CC..THydrogen-bonded Turntrans-88.58.5-179.6-680000114.2E127 K157 A158 A159 K163E127-S161 WeakPolarHBondContact CG-OG 3.45Å; E127-S161 VanDerWaalsContact O-CB 3.25Å; E127-S161 WeakPolarHBondContact O-CB 3.19Å; E127-S161 PolarHBondContact O-OG 2.89Å; K157-S161 WeakPolarHBondContact O-CB 3.33Å; K157-S161 PolarHBondContact O-N 3.22Å; K157-S161 PolarHBondContact O-OG 3.47Å; A158-S161 CarbonylContact O-C 3.48Å; A158-S161 PolarHBondContact O-N 2.97Å; A159-S161 VanDerWaalsContact C-N 3.31Å; A159-S161 PolarHBondContact O-N 3.22Å; S161-K163 VanDerWaalsContact C-N 3.25Å; S161-K163 WeakPolarHBondContact O-CD 3.28Å; S161-K163 VanDerWaalsContact O-CE 3.32Å; S161-K163 WeakPolarHBondContact O-CE 3.2Å; S161-K163 PolarHBondContact O-N 2.93Å
162G96.5Very high97.2Very high20 Ų2038.5 Ų38.521%0.20618%0.177CC..THydrogen-bonded Turntrans67.917.4176.100000115A158 A159 R160 V164 I199A158-G162 PolarHBondContact O-N 3.38Å; A158-G162 VanDerWaalsContact O-N 3.12Å; A159-G162 PolarHBondContact O-N 3Å; R160-G162 VanDerWaalsContact C-N 3.32Å; G162-V164 PolarHBondContact O-N 3.17Å; G162-I199 VanDerWaalsContact C-CD1 3.44Å
163K96.6Very high97.2Very high75 Ų7540.5 Ų40.533%0.32619%0.186SC..  trans-81.676-169.4-54.4-58.9178.1152.90112.1E127 D128 A158 S161 W165 A166 V167E127-K163 VanDerWaalsContact O-CE 3.25Å; E127-K163 WeakPolarHBondContact O-CE 3.24Å; D128-K163 WeakPolarHBondContact O-CD 3.49Å; D128-K163 WeakPolarHBondContact O-CE 3.34Å; D128-K163 PolarHBondContact O-NZ 3Å; A158-K163 HydrophobicContact CB-CB 4.33Å; A158-K163 PolarHBondContact O-N 3.48Å; S161-K163 VanDerWaalsContact C-N 3.25Å; S161-K163 WeakPolarHBondContact O-CD 3.28Å; S161-K163 VanDerWaalsContact O-CE 3.32Å; S161-K163 WeakPolarHBondContact O-CE 3.2Å; S161-K163 PolarHBondContact O-N 2.93Å; K163-W165 VanDerWaalsContact C-N 3.32Å; K163-W165 PolarHBondContact O-N 3.41Å; K163-A166 HydrophobicContact CB-CB 3.93Å; K163-A166 PolarHBondContact O-N 2.97Å; K163-V167 PolarHBondContact O-N 3.04Å
164V96.2Very high97Very high51 Ų5143.2 Ų43.231%0.30921%0.214SC..Hα-helixtrans-47.1-49-176.1-176.50000113G162 R168 E198 I199 M202G162-V164 PolarHBondContact O-N 3.17Å; V164-R168 WeakPolarHBondContact O-CB 3.09Å; V164-R168 PolarHBondContact O-N 2.94Å; V164-E198 HydrophobicContact CG1-CB 4.42Å; V164-E198 HydrophobicContact CG1-CG 3.69Å; V164-I199 HydrophobicContact CG2-CD1 4.3Å; V164-I199 HydrophobicContact CG2-CG1 4.14Å; V164-M202 HydrophobicContact CG1-CE 3.74Å
165W95.6Very high97Very high110 Ų11043.5 Ų43.542%0.41722%0.217SC..Hα-helixtrans-64.7-42.5-178.9-174.9104.6000111.8G131 L134 S135 K163 R168 R169G131-W165 VanDerWaalsContact CA-CZ3 3.43Å; G131-W165 VanDerWaalsContact O-CH2 3.23Å; G131-W165 WeakPolarHBondContact O-CH2 3.36Å; L134-W165 HydrophobicContact CB-CZ3 4.06Å; L134-W165 HydrophobicContact CD2-CE3 4.3Å; L134-W165 HydrophobicContact CD2-CZ3 3.62Å; L134-W165 HydrophobicContact CG-CZ3 4.45Å; S135-W165 WeakPolarHBondContact OG-CH2 3.22Å; K163-W165 VanDerWaalsContact C-N 3.32Å; K163-W165 PolarHBondContact O-N 3.41Å; W165-R168 PolarHBondContact O-N 3.37Å; W165-R169 HydrophobicContact CD2-CG 4.08Å; W165-R169 HydrophobicContact CE3-CB 4.39Å; W165-R169 HydrophobicContact CE3-CG 4.05Å; W165-R169 HydrophobicContact CH2-CB 4.09Å; W165-R169 HydrophobicContact CH2-CG 3.52Å; W165-R169 HydrophobicContact CZ2-CG 3.62Å; W165-R169 HydrophobicContact CZ3-CB 3.95Å; W165-R169 HydrophobicContact CZ3-CG 3.74Å; W165-R169 PolarHBondContact O-N 2.86Å
166A97.1Very high97Very high0 Ų047.3 Ų47.30%024%0.237CC..Hα-helixtrans-67.2-42179.800000111.9L134 A158 K163 R168 R169 L170L134-A166 HydrophobicContact CD2-CB 3.8Å; A158-A166 HydrophobicContact CB-CB 4.07Å; K163-A166 HydrophobicContact CB-CB 3.93Å; K163-A166 PolarHBondContact O-N 2.97Å; A166-R168 PolarHBondContact O-N 2.69Å; A166-R169 PolarHBondContact O-N 2.88Å; A166-L170 WeakPolarHBondContact O-CB 3.43Å; A166-L170 VanDerWaalsContact O-CG 3.31Å; A166-L170 WeakPolarHBondContact O-CG 3.34Å; A166-L170 PolarHBondContact O-N 3.04Å
167V97.7Very high97Very high0 Ų047.5 Ų47.50%024%0.239CC..Hα-helixtrans-55.8-51.4170.3171.50000110.4L155 A158 K163 R169 L170 L171 I199 M202L155-V167 HydrophobicContact CD1-CB 4.42Å; L155-V167 HydrophobicContact CD1-CG1 4Å; L155-V167 HydrophobicContact CD1-CG2 4.41Å; A158-V167 HydrophobicContact CB-CG2 3.72Å; K163-V167 PolarHBondContact O-N 3.04Å; V167-R169 PolarHBondContact O-N 2.98Å; V167-L170 PolarHBondContact O-N 3.4Å; V167-L171 HydrophobicContact CG1-CD1 3.8Å; V167-L171 HydrophobicContact CG1-CG 4.32Å; V167-L171 VanDerWaalsContact O-CG 3.26Å; V167-L171 WeakPolarHBondContact O-CG 3.3Å; V167-L171 PolarHBondContact O-N 3.45Å; V167-I199 HydrophobicContact CB-CG1 4.42Å; V167-I199 HydrophobicContact CG1-CG2 4.2Å; V167-I199 HydrophobicContact CG2-CD1 3.99Å; V167-I199 HydrophobicContact CG2-CG1 4.11Å; V167-I199 HydrophobicContact CG2-CG2 4.07Å; V167-M202 HydrophobicContact CB-CE 4.11Å; V167-M202 HydrophobicContact CG1-CE 3.82Å
168R96.4Very high97Very high137 Ų13748.5 Ų48.552%0.51725%0.245SC..Hα-helixtrans-57.7-36.8-178.9-171.6174.3-71-174.2-2.1112.7V164 W165 A166 L172 E198 M202V164-R168 WeakPolarHBondContact O-CB 3.09Å; V164-R168 PolarHBondContact O-N 2.94Å; W165-R168 PolarHBondContact O-N 3.37Å; A166-R168 PolarHBondContact O-N 2.69Å; R168-L172 WeakPolarHBondContact O-CB 3.34Å; R168-L172 PolarHBondContact O-N 2.91Å; R168-L172 VanDerWaalsContact O-N 3.16Å; R168-E198 IonicContact NH2-OE1 2.74Å; R168-E198 PolarHBondContact NH2-OE1 3.4Å; R168-M202 HydrophobicContact CB-CE 4.45Å; R168-M202 HydrophobicContact CB-SD 3.76Å; R168-M202 HydrophobicContact CG-SD 4.08Å; R168-M202 PolarHBondContact NE-SD 3.37Å
169R96.3Very high97Very high55 Ų5549.4 Ų49.421%0.20825%0.25CS..Hα-helixtrans-81.9-34.9-179.1-73.6-84.4-71159.34.2113.4L134 S135 W165 A166 V167 L172 F173L134-R169 HydrophobicContact CD2-CB 4.08Å; S135-R169 PolarHBondContact OG-NH2 2.84Å; W165-R169 HydrophobicContact CD2-CG 4.08Å; W165-R169 HydrophobicContact CE3-CB 4.39Å; W165-R169 HydrophobicContact CE3-CG 4.05Å; W165-R169 HydrophobicContact CH2-CB 4.09Å; W165-R169 HydrophobicContact CH2-CG 3.52Å; W165-R169 HydrophobicContact CZ2-CG 3.62Å; W165-R169 HydrophobicContact CZ3-CB 3.95Å; W165-R169 HydrophobicContact CZ3-CG 3.74Å; W165-R169 PolarHBondContact O-N 2.86Å; A166-R169 PolarHBondContact O-N 2.88Å; V167-R169 PolarHBondContact O-N 2.98Å; R169-L172 PolarHBondContact O-N 3.12Å; R169-F173 WeakPolarHBondContact O-CD2 3.47Å; R169-F173 PolarHBondContact O-N 3.4Å; R169-F173 VanDerWaalsContact O-N 3.15Å
170L97.6Very high97Very high0 Ų053 Ų530%027%0.266CS..Hα-helixtrans-62.4-43.8170.3-72.2165.5000111.1L122 A126 L134 L138 V144 P154 L155 A158 A166 V167 L172 F173 G174 A175L122-L170 HydrophobicContact CD2-CD2 4.33Å; A126-L170 HydrophobicContact CB-CD1 3.93Å; L134-L170 HydrophobicContact CD1-CD2 4.49Å; L134-L170 HydrophobicContact CD2-CG 4.33Å; L138-L170 HydrophobicContact CD1-CD2 4.28Å; L138-L170 HydrophobicContact CD2-CD2 4.16Å; V144-L170 HydrophobicContact CG1-CD2 3.92Å; P154-L170 HydrophobicContact CB-CD1 4.04Å; P154-L170 HydrophobicContact CB-CD2 4.09Å; L155-L170 HydrophobicContact CB-CD1 4.35Å; L155-L170 HydrophobicContact CD1-CB 4.09Å; L155-L170 HydrophobicContact CD1-CD1 4.43Å; A158-L170 HydrophobicContact CB-CD1 4.18Å; A166-L170 WeakPolarHBondContact O-CB 3.43Å; A166-L170 VanDerWaalsContact O-CG 3.31Å; A166-L170 WeakPolarHBondContact O-CG 3.34Å; A166-L170 PolarHBondContact O-N 3.04Å; V167-L170 PolarHBondContact O-N 3.4Å; L170-L172 VanDerWaalsContact C-N 3.35Å; L170-L172 PolarHBondContact O-N 3.45Å; L170-F173 CarbonylContact O-C 3.59Å; L170-F173 PolarHBondContact O-N 2.96Å; L170-F173 VanDerWaalsContact O-N 3.14Å; L170-G174 PolarHBondContact O-N 3.37Å; L170-A175 HydrophobicContact CB-CB 3.93Å; L170-A175 WeakPolarHBondContact O-CB 3.43Å; L170-A175 PolarHBondContact O-N 2.92Å
171L97.3Very high97.1Very high37 Ų3748.1 Ų48.119%0.19425%0.248CC..Hα-helixtrans-61.7-39.9174.6-66.2174.1000112.5L155 V167 F173 G174 V177 M202 L203 A206L155-L171 HydrophobicContact CD1-CD2 4.2Å; L155-L171 HydrophobicContact CD1-CG 4.26Å; L155-L171 HydrophobicContact CD2-CD2 4.18Å; V167-L171 HydrophobicContact CG1-CD1 3.8Å; V167-L171 HydrophobicContact CG1-CG 4.32Å; V167-L171 VanDerWaalsContact O-CG 3.26Å; V167-L171 WeakPolarHBondContact O-CG 3.3Å; V167-L171 PolarHBondContact O-N 3.45Å; L171-F173 PolarHBondContact O-N 3.12Å; L171-G174 PolarHBondContact O-N 3.41Å; L171-V177 HydrophobicContact CD2-CG1 3.36Å; L171-M202 HydrophobicContact CD1-CB 3.9Å; L171-L203 HydrophobicContact CD1-CD2 4.47Å; L171-L203 HydrophobicContact CD2-CD2 4.25Å; L171-A206 HydrophobicContact CD2-CB 4.03Å
172L96Very high97.1Very high125 Ų12553.3 Ų53.365%0.65426%0.262SS*.Hα-helixtrans-63.2-28.5175.4-177.464.9000113R168 R169 L170 G174R168-L172 WeakPolarHBondContact O-CB 3.34Å; R168-L172 PolarHBondContact O-N 2.91Å; R168-L172 VanDerWaalsContact O-N 3.16Å; R169-L172 PolarHBondContact O-N 3.12Å; L170-L172 VanDerWaalsContact C-N 3.35Å; L170-L172 PolarHBondContact O-N 3.45Å; L172-G174 VanDerWaalsContact C-N 3.31Å
173F96.7Very high97.2Very high75 Ų7555.9 Ų55.933%0.32927%0.271SS..THydrogen-bonded Turntrans-90.812.4173.7-84.1-101.4000113.3L138 N139 V144 R169 L170 L171L138-F173 HydrophobicContact CB-CD1 3.8Å; L138-F173 HydrophobicContact CB-CD2 4.1Å; L138-F173 HydrophobicContact CB-CE1 3.75Å; L138-F173 HydrophobicContact CB-CE2 4.05Å; L138-F173 HydrophobicContact CB-CG 3.98Å; L138-F173 HydrophobicContact CB-CZ 3.88Å; L138-F173 HydrophobicContact CD1-CB 4.38Å; L138-F173 HydrophobicContact CD1-CD2 3.88Å; L138-F173 HydrophobicContact CD1-CE2 4.35Å; L138-F173 HydrophobicContact CD1-CG 4.09Å; L138-F173 HydrophobicContact CD2-CB 4.1Å; L138-F173 HydrophobicContact CD2-CD1 4.34Å; L138-F173 HydrophobicContact CD2-CG 4.16Å; L138-F173 HydrophobicContact CG-CD2 4.47Å; L138-F173 HydrophobicContact CG-CG 4.3Å; L138-F173 WeakPolarHBondContact O-CE1 3.26Å; N139-F173 WeakPolarHBondContact OD1-CZ 3.4Å; V144-F173 HydrophobicContact CG1-CB 4.36Å; V144-F173 HydrophobicContact CG2-CB 4.13Å; R169-F173 WeakPolarHBondContact O-CD2 3.47Å; R169-F173 PolarHBondContact O-N 3.4Å; R169-F173 VanDerWaalsContact O-N 3.15Å; L170-F173 CarbonylContact O-C 3.59Å; L170-F173 PolarHBondContact O-N 2.96Å; L170-F173 VanDerWaalsContact O-N 3.14Å; L171-F173 PolarHBondContact O-N 3.12Å
174G95.8Very high97.2Very high57 Ų5755 Ų5559%0.58827%0.27SS*.THydrogen-bonded Turntrans84.718.7172.100000115.9L170 L171 L172 N176L170-G174 PolarHBondContact O-N 3.37Å; L171-G174 PolarHBondContact O-N 3.41Å; L172-G174 VanDerWaalsContact C-N 3.31Å; G174-N176 PolarHBondContact O-N 3.08Å
175A98Very high97.3Very high7 Ų753 Ų536%0.05826%0.257CS..  trans-54.4124177.300000112.5V144 L155 L170 V177V144-A175 HydrophobicContact CG1-CB 3.63Å; L155-A175 HydrophobicContact CB-CB 4.35Å; L155-A175 HydrophobicContact CD2-CB 4.08Å; L170-A175 HydrophobicContact CB-CB 3.93Å; L170-A175 WeakPolarHBondContact O-CB 3.43Å; L170-A175 PolarHBondContact O-N 2.92Å; A175-V177 PolarHBondContact O-N 3.07Å; A175-V177 VanDerWaalsContact O-N 3.14Å
176N98Very high97.5Very high80 Ų8047.8 Ų47.843%0.42824%0.238SC..  trans-76.1103.5-176.3179.9-7.8000111.6D145 G174 N178 V179D145-N176 VanDerWaalsContact CG-N 3.34Å; D145-N176 PolarHBondContact OD1-N 3.18Å; D145-N176 WeakPolarHBondContact OD2-CB 3.25Å; D145-N176 PolarHBondContact OD2-N 2.91Å; G174-N176 PolarHBondContact O-N 3.08Å; N176-N178 PolarHBondContact O-N 2.97Å; N176-N178 VanDerWaalsContact O-N 3.07Å; N176-N178 WeakPolarHBondContact OD1-CA 3.25Å; N176-N178 WeakPolarHBondContact OD1-CB 3.41Å; N176-N178 PolarHBondContact OD1-N 3.46Å; N176-V179 HydrophobicContact CB-CG2 3.8Å; N176-V179 WeakPolarHBondContact O-CG2 3.39Å; N176-V179 PolarHBondContact O-N 2.77Å
177V97.9Very high97.5Very high7 Ų747.9 Ų47.94%0.04224%0.239CC..THydrogen-bonded Turntrans-60.6-18.8179.9-55.30000114.9L155 L171 A175 L203 A206L155-V177 HydrophobicContact CD2-CB 4.42Å; L155-V177 HydrophobicContact CD2-CG1 4.01Å; L171-V177 HydrophobicContact CD2-CG1 3.36Å; A175-V177 PolarHBondContact O-N 3.07Å; A175-V177 VanDerWaalsContact O-N 3.14Å; V177-L203 HydrophobicContact CB-CD2 4.22Å; V177-L203 HydrophobicContact CG1-CD2 3.71Å; V177-A206 HydrophobicContact CG1-CB 3.79Å; V177-A206 WeakPolarHBondContact CG2-O 3.45Å
178N97.8Very high97.5Very high39 Ų3947.9 Ų47.921%0.20924%0.239CC..THydrogen-bonded Turntrans-100.34.9-174.1-72.1-52.3000113.4N176 E207 S208 R209N176-N178 PolarHBondContact O-N 2.97Å; N176-N178 VanDerWaalsContact O-N 3.07Å; N176-N178 WeakPolarHBondContact OD1-CA 3.25Å; N176-N178 WeakPolarHBondContact OD1-CB 3.41Å; N176-N178 PolarHBondContact OD1-N 3.46Å; N178-E207 PolarHBondContact ND2-O 3.19Å; N178-S208 WeakPolarHBondContact OD1-CA 3.32Å; N178-R209 WeakPolarHBondContact OD1-CB 3.47Å; N178-R209 VanDerWaalsContact OD1-CG 3.27Å; N178-R209 WeakPolarHBondContact OD1-CG 3.47Å; N178-R209 PolarHBondContact OD1-N 3.47Å
179V98.2Very high97.6Very high19 Ų1941.4 Ų41.412%0.11521%0.214CC..  trans-58.9143.1164.7178.60000109.4T153 M156 N176T153-V179 HydrophobicContact CG2-CB 4.15Å; T153-V179 HydrophobicContact CG2-CG1 3.7Å; T153-V179 HydrophobicContact CG2-CG2 4.4Å; M156-V179 HydrophobicContact CE-CB 4.12Å; M156-V179 HydrophobicContact CE-CG1 3.97Å; M156-V179 WeakPolarHBondContact CE-O 3.32Å; N176-V179 HydrophobicContact CB-CG2 3.8Å; N176-V179 WeakPolarHBondContact O-CG2 3.39Å; N176-V179 PolarHBondContact O-N 2.77Å
180K98Very high97.7Very high75 Ų7539.4 Ų39.433%0.32621%0.206SC..  trans-112.1140.1175.3-76.7-171.6153.3-160.10110.7D184 E185 T186 Q213K180-D184 HydrophobicContact CD-CB 4.03Å; K180-D184 WeakPolarHBondContact CD-OD1 3.33Å; K180-D184 VanDerWaalsContact CE-O 3.23Å; K180-D184 WeakPolarHBondContact CE-O 3.43Å; K180-D184 WeakPolarHBondContact CE-OD1 3.36Å; K180-D184 IonicContact NZ-OD1 3.94Å; K180-D184 PolarHBondContact NZ-OD1 3.35Å; K180-E185 WeakPolarHBondContact CA-O 3.45Å; K180-T186 HydrophobicContact CG-CG2 3.98Å; K180-Q213 PolarHBondContact NZ-O 2.82Å
181D98.1Very high97.7Very high6 Ų639.4 Ų39.43%0.03221%0.206CC..  trans-82.9-176.4171.489.8-15.2000112.1T150 K152 M156 N183 D184 E185 Y190T150-D181 WeakPolarHBondContact O-CB 3.23Å; K152-D181 WeakPolarHBondContact CE-OD2 3.38Å; K152-D181 HydrophobicContact CG-CB 3.74Å; K152-D181 IonicContact NZ-OD2 2.76Å; K152-D181 PolarHBondContact NZ-OD2 2.92Å; M156-D181 HydrophobicContact CE-CB 4.31Å; M156-D181 HydrophobicContact SD-CB 3.85Å; D181-N183 PolarHBondContact O-N 2.68Å; D181-N183 VanDerWaalsContact O-N 3.1Å; D181-N183 WeakPolarHBondContact OD1-CA 3.49Å; D181-N183 WeakPolarHBondContact OD1-CB 3.21Å; D181-N183 PolarHBondContact OD1-N 2.98Å; D181-D184 PolarHBondContact O-N 2.68Å; D181-D184 PolarHBondContact OD1-N 2.69Å; D181-E185 PolarHBondContact N-O 3.43Å; D181-E185 WeakPolarHBondContact OD1-CB 3.43Å; D181-E185 PolarHBondContact OD1-N 2.93Å; D181-Y190 PolarHBondContact OD2-OH 3Å
182R97.7Very high97.8Very high144 Ų14437.6 Ų37.654%0.54320%0.197SC..THydrogen-bonded Turntrans-61.3-15179.3-90.3-161.5-162.9-169.57.3115I149 T150 N151 Q215I149-R182 PolarHBondContact O-NE 3.2Å; I149-R182 PolarHBondContact O-NH2 2.89Å; T150-R182 WeakPolarHBondContact O-CB 3.38Å; T150-R182 PolarHBondContact O-N 3.36Å; N151-R182 HydrophobicContact CB-CG 4.35Å; R182-Q215 PolarHBondContact O-NE2 3.48Å; R182-Q215 PolarHBondContact O-OE1 2.82Å
183N97.5Very high97.8Very high75 Ų7534.1 Ų34.140%0.40118%0.175SC..THydrogen-bonded Turntrans-101.211.5177.3-62.98.6000111.2D181 E185 N214 Q215D181-N183 PolarHBondContact O-N 2.68Å; D181-N183 VanDerWaalsContact O-N 3.1Å; D181-N183 WeakPolarHBondContact OD1-CA 3.49Å; D181-N183 WeakPolarHBondContact OD1-CB 3.21Å; D181-N183 PolarHBondContact OD1-N 2.98Å; N183-E185 HydrophobicContact CB-CG 4.05Å; N183-E185 PolarHBondContact O-N 2.68Å; N183-N214 WeakPolarHBondContact O-CB 3.49Å; N183-Q215 PolarHBondContact O-N 3.23Å
184D98Very high97.8Very high55 Ų5534.3 Ų34.329%0.29418%0.177SC..SBendtrans64.214.5-169.3-80.5-94.7000114.7K180 D181 Q215K180-D184 HydrophobicContact CD-CB 4.03Å; K180-D184 WeakPolarHBondContact CD-OD1 3.33Å; K180-D184 VanDerWaalsContact CE-O 3.23Å; K180-D184 WeakPolarHBondContact CE-O 3.43Å; K180-D184 WeakPolarHBondContact CE-OD1 3.36Å; K180-D184 IonicContact NZ-OD1 3.94Å; K180-D184 PolarHBondContact NZ-OD1 3.35Å; D181-D184 PolarHBondContact O-N 2.68Å; D181-D184 PolarHBondContact OD1-N 2.69Å; D184-Q215 HydrophobicContact CB-CG 4.08Å; D184-Q215 VanDerWaalsContact OD2-CG 3.26Å; D184-Q215 WeakPolarHBondContact OD2-CG 3.41Å; D184-Q215 PolarHBondContact OD2-NE2 3.45Å
185E98.3Very high97.7Very high9 Ų932.3 Ų32.34%0.04216%0.157CC..  trans-82.6135.5-177.4-63.6-171.5169.900112.5M156 K180 D181 N183 H189 Y190 R193 N214M156-E185 WeakPolarHBondContact CE-O 3.28Å; K180-E185 WeakPolarHBondContact CA-O 3.45Å; D181-E185 PolarHBondContact N-O 3.43Å; D181-E185 WeakPolarHBondContact OD1-CB 3.43Å; D181-E185 PolarHBondContact OD1-N 2.93Å; N183-E185 HydrophobicContact CB-CG 4.05Å; N183-E185 PolarHBondContact O-N 2.68Å; E185-H189 HydrophobicContact CB-CB 4.18Å; E185-H189 HydrophobicContact CG-CB 4.48Å; E185-Y190 HydrophobicContact CB-CD2 4.5Å; E185-Y190 HydrophobicContact CB-CE2 3.77Å; E185-Y190 VanDerWaalsContact OE2-CZ 3.23Å; E185-Y190 PolarHBondContact OE2-OH 2.9Å; E185-R193 IonicContact OE1-CZ 2.81Å; E185-R193 IonicContact OE1-NH1 3.88Å; E185-R193 IonicContact OE1-NH2 2.75Å; E185-R193 PolarHBondContact OE1-NH2 2.87Å; E185-R193 IonicContact OE2-CZ 3.21Å; E185-R193 IonicContact OE2-NH1 2.69Å; E185-R193 PolarHBondContact OE2-NH1 3.5Å; E185-R193 IonicContact OE2-NH2 3.68Å; E185-R193 PolarHBondContact OE2-NH2 2.86Å; E185-N214 HydrophobicContact CG-CB 3.67Å; E185-N214 PolarHBondContact OE1-ND2 2.98Å; E185-N214 VanDerWaalsContact OE1-ND2 3.12Å
186T98.4Very high97.6Very high2 Ų233.1 Ų33.11%0.01216%0.162CC..  trans-96.6166.517565.60000111.5K180 L188 H189 Y190 A212K180-T186 HydrophobicContact CG-CG2 3.98Å; T186-L188 PolarHBondContact O-N 2.75Å; T186-L188 VanDerWaalsContact O-N 3.08Å; T186-H189 PolarHBondContact N-ND1 2.82Å; T186-H189 WeakPolarHBondContact O-CB 3.16Å; T186-H189 PolarHBondContact O-N 2.73Å; T186-H189 PolarHBondContact OG1-ND1 2.98Å; T186-Y190 WeakPolarHBondContact O-CD2 3.49Å; T186-Y190 PolarHBondContact O-N 3.3Å; T186-A212 HydrophobicContact CG2-CB 4.11Å
187A98.4Very high97.5Very high2 Ų231.1 Ų31.12%0.01715%0.153CC..Hα-helixtrans-54.4-30.3174.400000113.3L155 M156 Y190 A191 L203L155-A187 HydrophobicContact CD2-CB 3.88Å; L155-A187 HydrophobicContact CG-CB 3.91Å; M156-A187 HydrophobicContact CG-CB 4.21Å; A187-Y190 PolarHBondContact O-N 3.1Å; A187-A191 PolarHBondContact O-N 3.42Å; A187-L203 HydrophobicContact CB-CD1 4.06Å; A187-L203 HydrophobicContact CB-CD2 4.08Å; A187-L203 WeakPolarHBondContact O-CD1 3.43Å
188L98.3Very high97.5Very high0 Ų033.5 Ų33.50%016%0.163CC..Hα-helixtrans-68.3-34.9176.7-170.665.1000112.5T186 A191 C192 T200 L203 I204 L210 P220T186-L188 PolarHBondContact O-N 2.75Å; T186-L188 VanDerWaalsContact O-N 3.08Å; L188-A191 PolarHBondContact O-N 3.03Å; L188-C192 VanDerWaalsContact O-CB 3.25Å; L188-C192 WeakPolarHBondContact O-CB 3.28Å; L188-C192 PolarHBondContact O-N 2.77Å; L188-C192 PolarHBondContact O-SG 2.79Å; L188-T200 HydrophobicContact CD1-CG2 4.03Å; L188-L203 HydrophobicContact CB-CD1 4.49Å; L188-L203 HydrophobicContact CD1-CB 4.03Å; L188-L203 HydrophobicContact CD1-CD1 4.39Å; L188-I204 HydrophobicContact CD1-CG1 4.09Å; L188-L210 HydrophobicContact CD2-CD2 3.92Å; L188-P220 HydrophobicContact CB-CG 4.22Å; L188-P220 HydrophobicContact CD2-CB 4.01Å; L188-P220 HydrophobicContact CD2-CG 3.88Å; L188-P220 HydrophobicContact CG-CB 3.84Å; L188-P220 HydrophobicContact CG-CG 3.95Å
189H98.4Very high97.5Very high0 Ų031.6 Ų31.60%015%0.153CC..Hα-helixtrans-60.3-49.3172.8-69.574.9000110.4E185 T186 A191 C192 R193 A212 L218 E223E185-H189 HydrophobicContact CB-CB 4.18Å; E185-H189 HydrophobicContact CG-CB 4.48Å; T186-H189 PolarHBondContact N-ND1 2.82Å; T186-H189 WeakPolarHBondContact O-CB 3.16Å; T186-H189 PolarHBondContact O-N 2.73Å; T186-H189 PolarHBondContact OG1-ND1 2.98Å; H189-A191 PolarHBondContact O-N 2.93Å; H189-C192 PolarHBondContact O-N 3.09Å; H189-R193 VanDerWaalsContact O-CB 3.26Å; H189-R193 WeakPolarHBondContact O-CB 3.45Å; H189-R193 PolarHBondContact O-N 2.92Å; H189-A212 PolarHBondContact CE1-O 2.69Å; H189-A212 VanDerWaalsContact CE1-O 3.3Å; H189-A212 PolarHBondContact NE2-O 2.71Å; H189-L218 PolarHBondContact NE2-O 2.72Å; H189-E223 HydrophobicContact CB-CG 4.44Å
190Y98.1Very high97.5Very high13 Ų1330.7 Ų30.75%0.05115%0.148CC..Hα-helixtrans-61.3-40.8178.7-73.6-74.4000112.9K152 M156 R160 D181 E185 T186 A187 Q194K152-Y190 WeakPolarHBondContact CE-OH 3.4Å; K152-Y190 PolarHBondContact NZ-OH 2.61Å; M156-Y190 HydrophobicContact CB-CD2 3.96Å; M156-Y190 HydrophobicContact CB-CE2 4.22Å; M156-Y190 HydrophobicContact CG-CD2 4.17Å; M156-Y190 HydrophobicContact CG-CE2 4.39Å; M156-Y190 HydrophobicContact SD-CE2 4.31Å; R160-Y190 HydrophobicContact CB-CD1 3.81Å; R160-Y190 HydrophobicContact CB-CG 4.33Å; R160-Y190 HydrophobicContact CG-CD1 4.01Å; D181-Y190 PolarHBondContact OD2-OH 3Å; E185-Y190 HydrophobicContact CB-CD2 4.5Å; E185-Y190 HydrophobicContact CB-CE2 3.77Å; E185-Y190 VanDerWaalsContact OE2-CZ 3.23Å; E185-Y190 PolarHBondContact OE2-OH 2.9Å; T186-Y190 WeakPolarHBondContact O-CD2 3.49Å; T186-Y190 PolarHBondContact O-N 3.3Å; A187-Y190 PolarHBondContact O-N 3.1Å; Y190-Q194 VanDerWaalsContact O-CB 3.32Å; Y190-Q194 WeakPolarHBondContact O-CB 3.24Å; Y190-Q194 PolarHBondContact O-N 2.76Å
191A98Very high97.4Very high0 Ų031.3 Ų31.30%015%0.148CC..Hα-helixtrans-64.9-46175.100000112.6A159 A187 L188 H189 Q194 G195 I199 L203A159-A191 HydrophobicContact CB-CB 4.41Å; A187-A191 PolarHBondContact O-N 3.42Å; L188-A191 PolarHBondContact O-N 3.03Å; H189-A191 PolarHBondContact O-N 2.93Å; A191-Q194 PolarHBondContact O-N 3.08Å; A191-G195 PolarHBondContact O-N 3.26Å; A191-I199 HydrophobicContact CB-CB 4.27Å; A191-I199 HydrophobicContact CB-CG2 3.49Å; A191-I199 VanDerWaalsContact CB-CG2 3.49Å; A191-L203 HydrophobicContact CB-CD1 3.72Å
192C97.9Very high97.4Very high0 Ų032 Ų320%015%0.151CC..Hα-helixtrans-68.2-32.6179.9-73.60000113.1L188 H189 P220 S224 Q229L188-C192 VanDerWaalsContact O-CB 3.25Å; L188-C192 WeakPolarHBondContact O-CB 3.28Å; L188-C192 PolarHBondContact O-N 2.77Å; L188-C192 PolarHBondContact O-SG 2.79Å; H189-C192 PolarHBondContact O-N 3.09Å; C192-P220 HydrophobicContact CB-CB 4.16Å; C192-P220 WeakPolarHBondContact CB-O 3.24Å; C192-S224 WeakPolarHBondContact O-CA 3.47Å; C192-Q229 WeakPolarHBondContact O-CG 3.26Å
193R97Very high97.4Very high51 Ų5125.1 Ų25.119%0.19213%0.125CC..Hα-helixtrans-67-41.7170.3-179.5177.3-65.8153.3-9112.1E185 H189 E223 Y227 Q229E185-R193 IonicContact OE1-CZ 2.81Å; E185-R193 IonicContact OE1-NH1 3.88Å; E185-R193 IonicContact OE1-NH2 2.75Å; E185-R193 PolarHBondContact OE1-NH2 2.87Å; E185-R193 IonicContact OE2-CZ 3.21Å; E185-R193 IonicContact OE2-NH1 2.69Å; E185-R193 PolarHBondContact OE2-NH1 3.5Å; E185-R193 IonicContact OE2-NH2 3.68Å; E185-R193 PolarHBondContact OE2-NH2 2.86Å; H189-R193 VanDerWaalsContact O-CB 3.26Å; H189-R193 WeakPolarHBondContact O-CB 3.45Å; H189-R193 PolarHBondContact O-N 2.92Å; R193-E223 IonicContact CZ-OE1 3.84Å; R193-E223 IonicContact CZ-OE2 3.55Å; R193-E223 VanDerWaalsContact CZ-OE2 3.27Å; R193-E223 IonicContact NE-OE1 2.73Å; R193-E223 IonicContact NE-OE2 3Å; R193-E223 PolarHBondContact NE-OE2 3.13Å; R193-E223 IonicContact NH2-OE1 3.66Å; R193-E223 PolarHBondContact NH2-OE1 3.15Å; R193-E223 IonicContact NH2-OE2 2.69Å; R193-E223 PolarHBondContact NH2-OE2 3.15Å; R193-Y227 HydrophobicContact CB-CD2 4.4Å; R193-Y227 HydrophobicContact CG-CD1 4.08Å; R193-Y227 HydrophobicContact CG-CD2 3.74Å; R193-Y227 HydrophobicContact CG-CE1 3.96Å; R193-Y227 HydrophobicContact CG-CE2 3.62Å; R193-Y227 HydrophobicContact CG-CG 3.98Å; R193-Q229 PolarHBondContact O-NE2 3.05Å
194Q96.3Very high97.4Very high80 Ų8022.5 Ų22.537%0.37411%0.111SC..Hα-helixtrans-74.4-35.5-178.4-165.6-73.8-31.600112.9R160 Y190 A191 Q229R160-Q194 WeakPolarHBondContact O-CG 3.33Å; Y190-Q194 VanDerWaalsContact O-CB 3.32Å; Y190-Q194 WeakPolarHBondContact O-CB 3.24Å; Y190-Q194 PolarHBondContact O-N 2.76Å; A191-Q194 PolarHBondContact O-N 3.08Å; Q194-Q229 VanDerWaalsContact C-NE2 3.3Å; Q194-Q229 PolarHBondContact O-NE2 2.75Å
195G94.1Very high97.3Very high15 Ų1528.5 Ų28.516%0.15513%0.134CC..  trans101.8-7.917700000115.8A191 T197 Q229A191-G195 PolarHBondContact O-N 3.26Å; G195-T197 PolarHBondContact O-N 3.3Å; G195-Q229 VanDerWaalsContact CA-CD 3.42Å
196S95.4Very high97.2Very high24 Ų2429.8 Ų29.817%0.16815%0.147CC..  trans-66.193.8-178.7179.70000112.5E198 I199 T200S196-E198 PolarHBondContact O-N 2.86Å; S196-I199 PolarHBondContact O-N 3.14Å; S196-I199 WeakPolarHBondContact OG-CG1 3.42Å; S196-T200 PolarHBondContact O-N 3.04Å; S196-T200 PolarHBondContact O-OG1 3.17Å
197T95.7Very high97Very high38 Ų3837.8 Ų37.823%0.23318%0.184CC..Hα-helixtrans-57-25.5-179.370.50000113.5G195 R201 E231G195-T197 PolarHBondContact O-N 3.3Å; T197-R201 VanDerWaalsContact CB-NH1 3.31Å; T197-R201 WeakPolarHBondContact O-CB 3.2Å; T197-R201 VanDerWaalsContact O-CG 3.32Å; T197-R201 WeakPolarHBondContact O-CG 3.47Å; T197-R201 VanDerWaalsContact O-CZ 3.31Å; T197-R201 PolarHBondContact O-N 2.96Å; T197-R201 PolarHBondContact O-NH1 3.19Å; T197-R201 PolarHBondContact OG1-NH1 2.98Å; T197-R201 PolarHBondContact OG1-NH2 2.98Å; T197-E231 HydrophobicContact CG2-CB 3.53Å
198E97.3Very high97Very high56 Ų5638 Ų3826%0.26219%0.186SC..Hα-helixtrans-75.5-39.4176-175.860.5-169.900112V164 R168 S196 R201 M202V164-E198 HydrophobicContact CG1-CB 4.42Å; V164-E198 HydrophobicContact CG1-CG 3.69Å; R168-E198 IonicContact NH2-OE1 2.74Å; R168-E198 PolarHBondContact NH2-OE1 3.4Å; S196-E198 PolarHBondContact O-N 2.86Å; E198-R201 VanDerWaalsContact CA-NH2 3.34Å; E198-R201 PolarHBondContact O-N 3.05Å; E198-R201 IonicContact OE2-CZ 2.68Å; E198-R201 VanDerWaalsContact OE2-CZ 3.23Å; E198-R201 IonicContact OE2-NE 3.72Å; E198-R201 PolarHBondContact OE2-NE 3.36Å; E198-R201 IonicContact OE2-NH2 2.68Å; E198-R201 PolarHBondContact OE2-NH2 3.26Å; E198-M202 HydrophobicContact CG-CE 4.28Å; E198-M202 WeakPolarHBondContact O-CG 3.3Å; E198-M202 PolarHBondContact O-N 2.91Å
199I98.1Very high96.9Very high0 Ų046.2 Ų46.20%022%0.217CC..Hα-helixtrans-65.8-44.5172.2-66.9174.7000109.6A159 G162 V164 V167 A191 S196 R201 M202 L203A159-I199 HydrophobicContact CB-CG2 4.11Å; G162-I199 VanDerWaalsContact C-CD1 3.44Å; V164-I199 HydrophobicContact CG2-CD1 4.3Å; V164-I199 HydrophobicContact CG2-CG1 4.14Å; V167-I199 HydrophobicContact CB-CG1 4.42Å; V167-I199 HydrophobicContact CG1-CG2 4.2Å; V167-I199 HydrophobicContact CG2-CD1 3.99Å; V167-I199 HydrophobicContact CG2-CG1 4.11Å; V167-I199 HydrophobicContact CG2-CG2 4.07Å; A191-I199 HydrophobicContact CB-CB 4.27Å; A191-I199 HydrophobicContact CB-CG2 3.49Å; A191-I199 VanDerWaalsContact CB-CG2 3.49Å; S196-I199 PolarHBondContact O-N 3.14Å; S196-I199 WeakPolarHBondContact OG-CG1 3.42Å; I199-R201 VanDerWaalsContact C-N 3.34Å; I199-R201 PolarHBondContact O-N 3.25Å; I199-M202 HydrophobicContact CG1-CE 4.1Å; I199-M202 PolarHBondContact O-N 2.9Å; I199-L203 HydrophobicContact CG2-CD1 3.81Å; I199-L203 HydrophobicContact CG2-CG 4.28Å; I199-L203 WeakPolarHBondContact O-CG 3.41Å; I199-L203 PolarHBondContact O-N 3.39Å
200T97.9Very high96.8Very high0 Ų047 Ų470%022%0.221CC..Hα-helixtrans-56.3-46.2173.8-50.70000111.2L188 S196 M202 L203 I204 L235L188-T200 HydrophobicContact CD1-CG2 4.03Å; S196-T200 PolarHBondContact O-N 3.04Å; S196-T200 PolarHBondContact O-OG1 3.17Å; T200-M202 PolarHBondContact O-N 3.39Å; T200-L203 PolarHBondContact O-N 3.07Å; T200-I204 HydrophobicContact CG2-CD1 3.79Å; T200-I204 WeakPolarHBondContact O-CB 3.16Å; T200-I204 WeakPolarHBondContact O-CG1 3.48Å; T200-I204 PolarHBondContact O-N 2.93Å; T200-L235 HydrophobicContact CG2-CD2 3.96Å
201R97.3Very high96.8Very high88 Ų8848.7 Ų48.733%0.33223%0.231SC..Hα-helixtrans-59.4-45.2174.1-82.1-175.4-64.8-84.22113.2T197 E198 I199 K205 L235T197-R201 VanDerWaalsContact CB-NH1 3.31Å; T197-R201 WeakPolarHBondContact O-CB 3.2Å; T197-R201 VanDerWaalsContact O-CG 3.32Å; T197-R201 WeakPolarHBondContact O-CG 3.47Å; T197-R201 VanDerWaalsContact O-CZ 3.31Å; T197-R201 PolarHBondContact O-N 2.96Å; T197-R201 PolarHBondContact O-NH1 3.19Å; T197-R201 PolarHBondContact OG1-NH1 2.98Å; T197-R201 PolarHBondContact OG1-NH2 2.98Å; E198-R201 VanDerWaalsContact CA-NH2 3.34Å; E198-R201 PolarHBondContact O-N 3.05Å; E198-R201 IonicContact OE2-CZ 2.68Å; E198-R201 VanDerWaalsContact OE2-CZ 3.23Å; E198-R201 IonicContact OE2-NE 3.72Å; E198-R201 PolarHBondContact OE2-NE 3.36Å; E198-R201 IonicContact OE2-NH2 2.68Å; E198-R201 PolarHBondContact OE2-NH2 3.26Å; I199-R201 VanDerWaalsContact C-N 3.34Å; I199-R201 PolarHBondContact O-N 3.25Å; R201-K205 WeakPolarHBondContact O-CB 3.45Å; R201-K205 WeakPolarHBondContact O-CG 3.25Å; R201-K205 PolarHBondContact O-N 3.42Å; R201-L235 HydrophobicContact CG-CD1 3.5Å; R201-L235 HydrophobicContact CG-CD2 4Å; R201-L235 HydrophobicContact CG-CG 4.36Å
202M97.8Very high96.7Very high19 Ų1949.3 Ų49.39%0.09424%0.236CC..Hα-helixtrans-66.4-41.2-178.6-72-174.9-59.500111.9V164 V167 R168 L171 E198 I199 T200 K205 A206V164-M202 HydrophobicContact CG1-CE 3.74Å; V167-M202 HydrophobicContact CB-CE 4.11Å; V167-M202 HydrophobicContact CG1-CE 3.82Å; R168-M202 HydrophobicContact CB-CE 4.45Å; R168-M202 HydrophobicContact CB-SD 3.76Å; R168-M202 HydrophobicContact CG-SD 4.08Å; R168-M202 PolarHBondContact NE-SD 3.37Å; L171-M202 HydrophobicContact CD1-CB 3.9Å; E198-M202 HydrophobicContact CG-CE 4.28Å; E198-M202 WeakPolarHBondContact O-CG 3.3Å; E198-M202 PolarHBondContact O-N 2.91Å; I199-M202 HydrophobicContact CG1-CE 4.1Å; I199-M202 PolarHBondContact O-N 2.9Å; T200-M202 PolarHBondContact O-N 3.39Å; M202-K205 PolarHBondContact O-N 2.89Å; M202-A206 WeakPolarHBondContact O-CB 3.32Å; M202-A206 PolarHBondContact O-N 3.42Å; M202-A206 VanDerWaalsContact O-N 3.11Å
203L97.9Very high96.7Very high0 Ų050.9 Ų50.90%024%0.243CC..Hα-helixtrans-69.2-37.7177.4-66.3173.4000112.6L155 L171 V177 A187 L188 A191 I199 T200 A206 S208L155-L203 HydrophobicContact CD1-CD2 4.32Å; L155-L203 HydrophobicContact CD2-CD2 4.09Å; L155-L203 HydrophobicContact CG-CD2 4.42Å; L171-L203 HydrophobicContact CD1-CD2 4.47Å; L171-L203 HydrophobicContact CD2-CD2 4.25Å; V177-L203 HydrophobicContact CB-CD2 4.22Å; V177-L203 HydrophobicContact CG1-CD2 3.71Å; A187-L203 HydrophobicContact CB-CD1 4.06Å; A187-L203 HydrophobicContact CB-CD2 4.08Å; A187-L203 WeakPolarHBondContact O-CD1 3.43Å; L188-L203 HydrophobicContact CB-CD1 4.49Å; L188-L203 HydrophobicContact CD1-CB 4.03Å; L188-L203 HydrophobicContact CD1-CD1 4.39Å; A191-L203 HydrophobicContact CB-CD1 3.72Å; I199-L203 HydrophobicContact CG2-CD1 3.81Å; I199-L203 HydrophobicContact CG2-CG 4.28Å; I199-L203 WeakPolarHBondContact O-CG 3.41Å; I199-L203 PolarHBondContact O-N 3.39Å; T200-L203 PolarHBondContact O-N 3.07Å; L203-A206 CarbonylContact O-C 3.51Å; L203-A206 PolarHBondContact O-N 3.05Å; L203-S208 VanDerWaalsContact O-CB 3.28Å; L203-S208 WeakPolarHBondContact O-CB 3.32Å; L203-S208 PolarHBondContact O-N 2.73Å; L203-S208 PolarHBondContact O-OG 3.27Å
204I96.6Very high96.7Very high21 Ų2148.6 Ų48.611%0.10824%0.235CC..Hα-helixtrans-66.4-41.9174.7-67.1170.5000110.9L188 T200 A206 E207 S208 L210 L235 L236 H239L188-I204 HydrophobicContact CD1-CG1 4.09Å; T200-I204 HydrophobicContact CG2-CD1 3.79Å; T200-I204 WeakPolarHBondContact O-CB 3.16Å; T200-I204 WeakPolarHBondContact O-CG1 3.48Å; T200-I204 PolarHBondContact O-N 2.93Å; I204-A206 PolarHBondContact O-N 2.94Å; I204-E207 PolarHBondContact O-N 3.44Å; I204-S208 PolarHBondContact N-OG 3.29Å; I204-L210 HydrophobicContact CB-CD2 4.47Å; I204-L210 HydrophobicContact CD1-CD2 4.27Å; I204-L210 HydrophobicContact CG1-CD2 3.72Å; I204-L210 HydrophobicContact CG2-CD2 4.26Å; I204-L235 HydrophobicContact CD1-CD2 3.64Å; I204-L236 HydrophobicContact CD1-CD2 3.85Å; I204-H239 VanDerWaalsContact CG2-CE1 3.48Å; I204-H239 WeakPolarHBondContact CG2-CE1 3.37Å
205K96.3Very high96.8Very high180 Ų18050.1 Ų50.178%0.78324%0.242SC*.Hα-helixtrans-63.7-21173.4-76.4-178.7175.1-170.90113.9R201 M202R201-K205 WeakPolarHBondContact O-CB 3.45Å; R201-K205 WeakPolarHBondContact O-CG 3.25Å; R201-K205 PolarHBondContact O-N 3.42Å; M202-K205 PolarHBondContact O-N 2.89Å
206A96.5Very high96.8Very high37 Ų3753.3 Ų53.331%0.30625%0.254SS..THydrogen-bonded Turntrans-97.526.8176.200000112.9L171 V177 M202 L203 I204 S208L171-A206 HydrophobicContact CD2-CB 4.03Å; V177-A206 HydrophobicContact CG1-CB 3.79Å; V177-A206 WeakPolarHBondContact CG2-O 3.45Å; M202-A206 WeakPolarHBondContact O-CB 3.32Å; M202-A206 PolarHBondContact O-N 3.42Å; M202-A206 VanDerWaalsContact O-N 3.11Å; L203-A206 CarbonylContact O-C 3.51Å; L203-A206 PolarHBondContact O-N 3.05Å; I204-A206 PolarHBondContact O-N 2.94Å; A206-S208 PolarHBondContact O-N 3.39Å
207E94.9Very high96.9Very high169 Ų16952.1 Ų52.179%0.7925%0.246SC*.THydrogen-bonded Turntrans61.536.4172.1-54.6-174.4173.600114.8N178 I204N178-E207 PolarHBondContact ND2-O 3.19Å; I204-E207 PolarHBondContact O-N 3.44Å
208S96.5Very high97Very high8 Ų851.3 Ų51.36%0.05624%0.241CC..  trans-67.1137.8170.754.90000113N178 L203 I204 A206 L210N178-S208 WeakPolarHBondContact OD1-CA 3.32Å; L203-S208 VanDerWaalsContact O-CB 3.28Å; L203-S208 WeakPolarHBondContact O-CB 3.32Å; L203-S208 PolarHBondContact O-N 2.73Å; L203-S208 PolarHBondContact O-OG 3.27Å; I204-S208 PolarHBondContact N-OG 3.29Å; A206-S208 PolarHBondContact O-N 3.39Å; S208-L210 WeakPolarHBondContact O-CD2 3.32Å; S208-L210 PolarHBondContact O-N 3.03Å
209R96.6Very high97Very high171 Ų17148.8 Ų48.865%0.64523%0.229SC*.  trans-68.294.8178.2-72.3167.4177.2-178.6-2.5111N178 N211 A212N178-R209 WeakPolarHBondContact OD1-CB 3.47Å; N178-R209 VanDerWaalsContact OD1-CG 3.27Å; N178-R209 WeakPolarHBondContact OD1-CG 3.47Å; N178-R209 PolarHBondContact OD1-N 3.47Å; R209-N211 PolarHBondContact O-N 3.37Å; R209-A212 HydrophobicContact CB-CB 4.03Å; R209-A212 VanDerWaalsContact O-CB 3.32Å; R209-A212 WeakPolarHBondContact O-CB 3.39Å; R209-A212 PolarHBondContact O-N 3.21Å
210L96.9Very high97Very high17 Ų1748.8 Ų48.89%0.08923%0.229CC..THydrogen-bonded Turntrans-54.4-36.7-175.5-52.1-173.1000114L188 I204 S208 P220 L236 H239 D241 I242L188-L210 HydrophobicContact CD2-CD2 3.92Å; I204-L210 HydrophobicContact CB-CD2 4.47Å; I204-L210 HydrophobicContact CD1-CD2 4.27Å; I204-L210 HydrophobicContact CG1-CD2 3.72Å; I204-L210 HydrophobicContact CG2-CD2 4.26Å; S208-L210 WeakPolarHBondContact O-CD2 3.32Å; S208-L210 PolarHBondContact O-N 3.03Å; L210-P220 WeakPolarHBondContact O-CD 3.37Å; L210-L236 HydrophobicContact CD2-CD2 4.49Å; L210-H239 HydrophobicContact CD1-CB 3.76Å; L210-D241 HydrophobicContact CD1-CB 4.34Å; L210-I242 HydrophobicContact CB-CD1 3.87Å
211N97Very high97Very high48 Ų4848.8 Ų48.826%0.25723%0.229SC..THydrogen-bonded Turntrans-102.618.9-177.8-53.7-31.9000113.2R209 Q213 D241 D243R209-N211 PolarHBondContact O-N 3.37Å; N211-Q213 PolarHBondContact O-N 3.3Å; N211-D241 PolarHBondContact ND2-O 3.01Å; N211-D243 WeakPolarHBondContact ND2-CB 3.02Å; N211-D243 PolarHBondContact ND2-N 3.42Å; N211-D243 PolarHBondContact OD1-N 2.89Å
212A97.3Very high97Very high13 Ų1344.7 Ų44.711%0.10721%0.213CC..  trans-57.9132.7171.200000109.3T186 H189 R209 T219 P220T186-A212 HydrophobicContact CG2-CB 4.11Å; H189-A212 PolarHBondContact CE1-O 2.69Å; H189-A212 VanDerWaalsContact CE1-O 3.3Å; H189-A212 PolarHBondContact NE2-O 2.71Å; R209-A212 HydrophobicContact CB-CB 4.03Å; R209-A212 VanDerWaalsContact O-CB 3.32Å; R209-A212 WeakPolarHBondContact O-CB 3.39Å; R209-A212 PolarHBondContact O-N 3.21Å; A212-T219 WeakPolarHBondContact O-CA 3.26Å; A212-P220 VanDerWaalsContact O-CD 3.29Å; A212-P220 WeakPolarHBondContact O-CD 3.39Å
213Q97.5Very high97Very high33 Ų3344 Ų4415%0.15421%0.21CC..  trans-104.4136.9176.6-66.4-178-99.100109.8K180 N211 G217 L218 T219 R247 F249K180-Q213 PolarHBondContact NZ-O 2.82Å; N211-Q213 PolarHBondContact O-N 3.3Å; Q213-G217 PolarHBondContact NE2-O 2.92Å; Q213-L218 WeakPolarHBondContact CA-O 3.3Å; Q213-T219 HydrophobicContact CG-CG2 3.79Å; Q213-R247 PolarHBondContact NE2-O 3.37Å; Q213-F249 HydrophobicContact CB-CZ 4.15Å
214N97.5Very high97Very high4 Ų444 Ų442%0.02121%0.21CC..  trans-80-177.7170.879.6-2.4000111.2N183 E185 I216 G217 L218N183-N214 WeakPolarHBondContact O-CB 3.49Å; E185-N214 HydrophobicContact CG-CB 3.67Å; E185-N214 PolarHBondContact OE1-ND2 2.98Å; E185-N214 VanDerWaalsContact OE1-ND2 3.12Å; N214-I216 VanDerWaalsContact C-N 3.25Å; N214-I216 PolarHBondContact O-N 3.12Å; N214-I216 WeakPolarHBondContact OD1-CG1 3.38Å; N214-I216 PolarHBondContact OD1-N 3.25Å; N214-G217 WeakPolarHBondContact O-CA 3.49Å; N214-G217 PolarHBondContact O-N 3.49Å; N214-G217 PolarHBondContact OD1-N 3.23Å; N214-L218 PolarHBondContact N-O 3.21Å; N214-L218 PolarHBondContact OD1-N 2.93Å; N214-L218 PolarHBondContact OD1-O 2.73Å
215Q96.8Very high97Very high112 Ų11243 Ų4352%0.52321%0.205SC..THydrogen-bonded Turntrans-62.6-25.9-174.5-84.8175.5-100115.3R182 N183 D184 G217R182-Q215 PolarHBondContact O-NE2 3.48Å; R182-Q215 PolarHBondContact O-OE1 2.82Å; N183-Q215 PolarHBondContact O-N 3.23Å; D184-Q215 HydrophobicContact CB-CG 4.08Å; D184-Q215 VanDerWaalsContact OD2-CG 3.26Å; D184-Q215 WeakPolarHBondContact OD2-CG 3.41Å; D184-Q215 PolarHBondContact OD2-NE2 3.45Å; Q215-G217 VanDerWaalsContact C-N 3.34Å
216I95.9Very high97.1Very high81 Ų8135.5 Ų35.542%0.41518%0.175SC..THydrogen-bonded Turntrans-95.58174.355.5170.2000112.1N214 L218 F249N214-I216 VanDerWaalsContact C-N 3.25Å; N214-I216 PolarHBondContact O-N 3.12Å; N214-I216 WeakPolarHBondContact OD1-CG1 3.38Å; N214-I216 PolarHBondContact OD1-N 3.25Å; I216-L218 VanDerWaalsContact C-N 3.34Å; I216-L218 HydrophobicContact CD1-CD1 3.6Å; I216-L218 HydrophobicContact CD1-CG 3.97Å; I216-L218 HydrophobicContact CG1-CD1 4.13Å; I216-L218 HydrophobicContact CG1-CG 3.99Å; I216-L218 PolarHBondContact O-N 3.39Å; I216-F249 PolarHBondContact O-N 2.81Å
217G96.5Very high97.1Very high0 Ų039.6 Ų39.60%018%0.184CC..  trans83.20.8175.600000115.1Q213 N214 Q215 F249Q213-G217 PolarHBondContact NE2-O 2.92Å; N214-G217 WeakPolarHBondContact O-CA 3.49Å; N214-G217 PolarHBondContact O-N 3.49Å; N214-G217 PolarHBondContact OD1-N 3.23Å; Q215-G217 VanDerWaalsContact C-N 3.34Å; G217-F249 VanDerWaalsContact CA-CE2 3.46Å; G217-F249 VanDerWaalsContact N-CD2 3.28Å
218L97.6Very high97.2Very high21 Ų2135.4 Ų35.411%0.1117%0.166CC..  trans-68.4139.9178.1-60.2179.1000110.5H189 Q213 N214 I216 M222 E223 D248 I258H189-L218 PolarHBondContact NE2-O 2.72Å; Q213-L218 WeakPolarHBondContact CA-O 3.3Å; N214-L218 PolarHBondContact N-O 3.21Å; N214-L218 PolarHBondContact OD1-N 2.93Å; N214-L218 PolarHBondContact OD1-O 2.73Å; I216-L218 VanDerWaalsContact C-N 3.34Å; I216-L218 HydrophobicContact CD1-CD1 3.6Å; I216-L218 HydrophobicContact CD1-CG 3.97Å; I216-L218 HydrophobicContact CG1-CD1 4.13Å; I216-L218 HydrophobicContact CG1-CG 3.99Å; I216-L218 PolarHBondContact O-N 3.39Å; L218-M222 HydrophobicContact CB-CB 4.15Å; L218-M222 HydrophobicContact CB-SD 4.49Å; L218-M222 HydrophobicContact CD2-CB 3.89Å; L218-M222 HydrophobicContact CD2-CG 4.49Å; L218-M222 HydrophobicContact CD2-SD 4.04Å; L218-E223 WeakPolarHBondContact CD1-OE1 3.29Å; L218-D248 HydrophobicContact CD2-CB 3.77Å; L218-I258 HydrophobicContact CD2-CD1 3.87Å
219T97.9Very high97.2Very high2 Ų237.4 Ų37.41%0.01218%0.175CC..  trans-94.3165.8168.762.20000111.1A212 Q213 L221 M222 E223 K246A212-T219 WeakPolarHBondContact O-CA 3.26Å; Q213-T219 HydrophobicContact CG-CG2 3.79Å; T219-L221 PolarHBondContact O-N 3.24Å; T219-L221 VanDerWaalsContact O-N 3.16Å; T219-L221 PolarHBondContact OG1-N 3.29Å; T219-M222 HydrophobicContact CG2-SD 4.35Å; T219-M222 PolarHBondContact N-SD 3.08Å; T219-M222 WeakPolarHBondContact O-CA 3.19Å; T219-M222 WeakPolarHBondContact O-CB 3.38Å; T219-M222 PolarHBondContact O-N 3.21Å; T219-M222 WeakPolarHBondContact OG1-CG 3.44Å; T219-M222 PolarHBondContact OG1-N 2.88Å; T219-E223 PolarHBondContact O-N 3.4Å; T219-K246 HydrophobicContact CG2-CB 3.91Å; T219-K246 HydrophobicContact CG2-CG 3.93Å
220P97.8Very high97.2Very high0 Ų034.4 Ų34.40%016%0.164CC..Hα-helixtrans-53.4-31.6169.2-27.133.8000114L188 C192 L210 A212 S224L188-P220 HydrophobicContact CB-CG 4.22Å; L188-P220 HydrophobicContact CD2-CB 4.01Å; L188-P220 HydrophobicContact CD2-CG 3.88Å; L188-P220 HydrophobicContact CG-CB 3.84Å; L188-P220 HydrophobicContact CG-CG 3.95Å; C192-P220 HydrophobicContact CB-CB 4.16Å; C192-P220 WeakPolarHBondContact CB-O 3.24Å; L210-P220 WeakPolarHBondContact O-CD 3.37Å; A212-P220 VanDerWaalsContact O-CD 3.29Å; A212-P220 WeakPolarHBondContact O-CD 3.39Å; P220-S224 PolarHBondContact O-N 2.99Å; P220-S224 PolarHBondContact O-OG 2.76Å
221L97.9Very high97.2Very high1 Ų137.9 Ų37.91%0.00518%0.179CC..Hα-helixtrans-64.1-50.3171.7-179.163.3000110.9T219 E223 S224 V225 V233 L236 I237 I242 L244 A255 L271T219-L221 PolarHBondContact O-N 3.24Å; T219-L221 VanDerWaalsContact O-N 3.16Å; T219-L221 PolarHBondContact OG1-N 3.29Å; L221-E223 VanDerWaalsContact C-N 3.29Å; L221-E223 PolarHBondContact O-N 2.98Å; L221-S224 PolarHBondContact O-N 3.47Å; L221-S224 VanDerWaalsContact O-N 3.14Å; L221-S224 PolarHBondContact O-OG 3.27Å; L221-V225 WeakPolarHBondContact O-CG2 3.24Å; L221-V225 PolarHBondContact O-N 2.92Å; L221-V233 HydrophobicContact CD1-CB 4.47Å; L221-V233 HydrophobicContact CD1-CG1 4.15Å; L221-V233 HydrophobicContact CD1-CG2 4.43Å; L221-L236 HydrophobicContact CB-CD1 4.05Å; L221-L236 HydrophobicContact CD1-CB 4.24Å; L221-L236 HydrophobicContact CD1-CD1 4.05Å; L221-I237 HydrophobicContact CD1-CG1 4.35Å; L221-I242 HydrophobicContact CB-CD1 4.38Å; L221-I242 HydrophobicContact CD2-CG1 4.15Å; L221-L244 HydrophobicContact CD2-CD2 3.59Å; L221-A255 HydrophobicContact CD2-CB 4.08Å; L221-A255 HydrophobicContact CG-CB 4.2Å; L221-L271 HydrophobicContact CD2-CD2 4.44Å
222M97.6Very high97.1Very high1 Ų135.6 Ų35.61%0.00517%0.167CC..Hα-helixtrans-62.8-33.3178.3-66.1166.3155.900113L218 T219 V225 S226 K246 D253 A255 I258L218-M222 HydrophobicContact CB-CB 4.15Å; L218-M222 HydrophobicContact CB-SD 4.49Å; L218-M222 HydrophobicContact CD2-CB 3.89Å; L218-M222 HydrophobicContact CD2-CG 4.49Å; L218-M222 HydrophobicContact CD2-SD 4.04Å; T219-M222 HydrophobicContact CG2-SD 4.35Å; T219-M222 PolarHBondContact N-SD 3.08Å; T219-M222 WeakPolarHBondContact O-CA 3.19Å; T219-M222 WeakPolarHBondContact O-CB 3.38Å; T219-M222 PolarHBondContact O-N 3.21Å; T219-M222 WeakPolarHBondContact OG1-CG 3.44Å; T219-M222 PolarHBondContact OG1-N 2.88Å; M222-V225 PolarHBondContact O-N 2.97Å; M222-S226 VanDerWaalsContact O-CB 3.26Å; M222-S226 WeakPolarHBondContact O-CB 3.36Å; M222-S226 PolarHBondContact O-N 3.03Å; M222-S226 PolarHBondContact O-OG 2.89Å; M222-K246 HydrophobicContact CE-CB 4.37Å; M222-K246 WeakPolarHBondContact CE-O 3.39Å; M222-D253 WeakPolarHBondContact CE-O 3.3Å; M222-A255 HydrophobicContact CG-CB 4.16Å; M222-I258 HydrophobicContact CB-CD1 3.83Å; M222-I258 HydrophobicContact CG-CD1 3.9Å; M222-I258 HydrophobicContact SD-CD1 4.47Å
223E97.5Very high97.1Very high4 Ų435 Ų352%0.01916%0.162CC..Hα-helixtrans-62.2-52.4169.3-76.1-65.4156.500111.3H189 R193 L218 T219 L221 V225 S226 Y227H189-E223 HydrophobicContact CB-CG 4.44Å; R193-E223 IonicContact CZ-OE1 3.84Å; R193-E223 IonicContact CZ-OE2 3.55Å; R193-E223 VanDerWaalsContact CZ-OE2 3.27Å; R193-E223 IonicContact NE-OE1 2.73Å; R193-E223 IonicContact NE-OE2 3Å; R193-E223 PolarHBondContact NE-OE2 3.13Å; R193-E223 IonicContact NH2-OE1 3.66Å; R193-E223 PolarHBondContact NH2-OE1 3.15Å; R193-E223 IonicContact NH2-OE2 2.69Å; R193-E223 PolarHBondContact NH2-OE2 3.15Å; L218-E223 WeakPolarHBondContact CD1-OE1 3.29Å; T219-E223 PolarHBondContact O-N 3.4Å; L221-E223 VanDerWaalsContact C-N 3.29Å; L221-E223 PolarHBondContact O-N 2.98Å; E223-V225 PolarHBondContact O-N 2.87Å; E223-S226 PolarHBondContact O-N 3.26Å; E223-S226 VanDerWaalsContact O-N 3.09Å; E223-Y227 WeakPolarHBondContact O-CD2 3.21Å; E223-Y227 PolarHBondContact O-N 2.93Å; E223-Y227 VanDerWaalsContact O-N 3.1Å; E223-Y227 VanDerWaalsContact OE2-CE2 3.31Å; E223-Y227 WeakPolarHBondContact OE2-CE2 3.48Å
224S97.5Very high97.1Very high0 Ų035 Ų350%017%0.166CC..Hα-helixtrans-60.8-32.8177.360.70000113.2C192 P220 L221 N228 Q229 V233C192-S224 WeakPolarHBondContact O-CA 3.47Å; P220-S224 PolarHBondContact O-N 2.99Å; P220-S224 PolarHBondContact O-OG 2.76Å; L221-S224 PolarHBondContact O-N 3.47Å; L221-S224 VanDerWaalsContact O-N 3.14Å; L221-S224 PolarHBondContact O-OG 3.27Å; S224-N228 PolarHBondContact O-N 2.97Å; S224-Q229 WeakPolarHBondContact O-CB 3.36Å; S224-Q229 PolarHBondContact O-N 2.85Å; S224-V233 VanDerWaalsContact OG-CG2 3.24Å; S224-V233 WeakPolarHBondContact OG-CG2 3.34Å
225V97.8Very high97Very high0 Ų036 Ų360%017%0.172CC..Hα-helixtrans-68.6-48.4171.1172.50000111.5L221 M222 E223 Y227 N228 V233 A255 I258 A259 Y264 I267 L271L221-V225 WeakPolarHBondContact O-CG2 3.24Å; L221-V225 PolarHBondContact O-N 2.92Å; M222-V225 PolarHBondContact O-N 2.97Å; E223-V225 PolarHBondContact O-N 2.87Å; V225-Y227 PolarHBondContact O-N 3.27Å; V225-N228 PolarHBondContact O-N 3.37Å; V225-V233 HydrophobicContact CG2-CG2 3.77Å; V225-A255 HydrophobicContact CG2-CB 4.29Å; V225-I258 HydrophobicContact CG1-CB 4.08Å; V225-I258 HydrophobicContact CG1-CG2 3.88Å; V225-A259 HydrophobicContact CG1-CB 3.7Å; V225-Y264 VanDerWaalsContact O-CD2 3.25Å; V225-Y264 WeakPolarHBondContact O-CD2 3.36Å; V225-Y264 WeakPolarHBondContact O-CE2 3.47Å; V225-I267 HydrophobicContact CB-CG2 4.39Å; V225-I267 HydrophobicContact CG1-CG2 4.06Å; V225-I267 HydrophobicContact CG2-CG2 3.81Å; V225-L271 HydrophobicContact CG2-CD1 4.18Å
226S96.8Very high97Very high23 Ų2330.7 Ų30.716%0.16115%0.147CC..Hα-helixtrans-60.5-29.3-175.6-64.90000113.5M222 E223 I258M222-S226 VanDerWaalsContact O-CB 3.26Å; M222-S226 WeakPolarHBondContact O-CB 3.36Å; M222-S226 PolarHBondContact O-N 3.03Å; M222-S226 PolarHBondContact O-OG 2.89Å; E223-S226 PolarHBondContact O-N 3.26Å; E223-S226 VanDerWaalsContact O-N 3.09Å; S226-I258 WeakPolarHBondContact OG-CG2 3.49Å
227Y97.1Very high96.9Very high124 Ų12428.5 Ų28.549%0.48614%0.135SC..THydrogen-bonded Turntrans-103.514178.6-71.4-96.7000113.5R193 E223 V225 Q229R193-Y227 HydrophobicContact CB-CD2 4.4Å; R193-Y227 HydrophobicContact CG-CD1 4.08Å; R193-Y227 HydrophobicContact CG-CD2 3.74Å; R193-Y227 HydrophobicContact CG-CE1 3.96Å; R193-Y227 HydrophobicContact CG-CE2 3.62Å; R193-Y227 HydrophobicContact CG-CG 3.98Å; E223-Y227 WeakPolarHBondContact O-CD2 3.21Å; E223-Y227 PolarHBondContact O-N 2.93Å; E223-Y227 VanDerWaalsContact O-N 3.1Å; E223-Y227 VanDerWaalsContact OE2-CE2 3.31Å; E223-Y227 WeakPolarHBondContact OE2-CE2 3.48Å; V225-Y227 PolarHBondContact O-N 3.27Å; Y227-Q229 VanDerWaalsContact C-N 3.27Å; Y227-Q229 PolarHBondContact O-N 3.26Å
228N97.4Very high96.8Very high80 Ų8036.6 Ų36.643%0.42817%0.171SC..THydrogen-bonded Turntrans58.428.8177.5-162.132000115.5S224 V225 R230 Y264 I267S224-N228 PolarHBondContact O-N 2.97Å; V225-N228 PolarHBondContact O-N 3.37Å; N228-R230 VanDerWaalsContact C-N 3.26Å; N228-R230 PolarHBondContact O-N 2.96Å; N228-Y264 HydrophobicContact CB-CD1 4.23Å; N228-Y264 HydrophobicContact CB-CD2 4.02Å; N228-Y264 HydrophobicContact CB-CE1 3.98Å; N228-Y264 HydrophobicContact CB-CE2 3.74Å; N228-Y264 HydrophobicContact CB-CG 4.27Å; N228-I267 VanDerWaalsContact OD1-CD1 3.3Å; N228-I267 WeakPolarHBondContact OD1-CD1 3.5Å
229Q97.3Very high96.6Very high50 Ų5039 Ų3923%0.23418%0.181CC..  trans-82.966.4-174.7-54.3-68.45.900111.1C192 R193 Q194 G195 S224 Y227 E231 A232 V233C192-Q229 WeakPolarHBondContact O-CG 3.26Å; R193-Q229 PolarHBondContact O-NE2 3.05Å; Q194-Q229 VanDerWaalsContact C-NE2 3.3Å; Q194-Q229 PolarHBondContact O-NE2 2.75Å; G195-Q229 VanDerWaalsContact CA-CD 3.42Å; S224-Q229 WeakPolarHBondContact O-CB 3.36Å; S224-Q229 PolarHBondContact O-N 2.85Å; Y227-Q229 VanDerWaalsContact C-N 3.27Å; Y227-Q229 PolarHBondContact O-N 3.26Å; Q229-E231 VanDerWaalsContact C-N 3.27Å; Q229-E231 PolarHBondContact O-N 3.49Å; Q229-E231 VanDerWaalsContact O-N 3.13Å; Q229-A232 HydrophobicContact CB-CB 4.06Å; Q229-A232 WeakPolarHBondContact O-CB 3.39Å; Q229-A232 PolarHBondContact O-N 3.14Å; Q229-V233 PolarHBondContact O-N 3.37Å
230R96.6Very high96.1Very high109 Ų10948.7 Ų48.741%0.41122%0.223SC..Hα-helixtrans-47.8-42.6-172.7-177.3-177.265.1-179.1-3.4113.7N228 S234 I267 I270N228-R230 VanDerWaalsContact C-N 3.26Å; N228-R230 PolarHBondContact O-N 2.96Å; R230-S234 VanDerWaalsContact O-CB 3.29Å; R230-S234 WeakPolarHBondContact O-CB 3.48Å; R230-S234 PolarHBondContact O-N 2.89Å; R230-S234 PolarHBondContact O-OG 3.16Å; R230-I267 HydrophobicContact CB-CD1 4.46Å; R230-I267 HydrophobicContact CB-CG1 4.25Å; R230-I267 HydrophobicContact CG-CG1 4.44Å; R230-I270 HydrophobicContact CG-CD1 3.59Å
231E95.7Very high95.8Very high89 Ų8954.3 Ų54.342%0.41625%0.253SS..Hα-helixtrans-75.3-29.3-177.6-66.564.3-146.300112.3T197 Q229 L235T197-E231 HydrophobicContact CG2-CB 3.53Å; Q229-E231 VanDerWaalsContact C-N 3.27Å; Q229-E231 PolarHBondContact O-N 3.49Å; Q229-E231 VanDerWaalsContact O-N 3.13Å; E231-L235 WeakPolarHBondContact O-CB 3.2Å; E231-L235 PolarHBondContact O-N 2.75Å; E231-L235 VanDerWaalsContact O-N 3.15Å
232A96Very high95.7Very high1 Ų155.2 Ų55.21%0.00826%0.258CS..Hα-helixtrans-73.3-42.617200000111.2Q229 S234 L235 L236Q229-A232 HydrophobicContact CB-CB 4.06Å; Q229-A232 WeakPolarHBondContact O-CB 3.39Å; Q229-A232 PolarHBondContact O-N 3.14Å; A232-S234 VanDerWaalsContact C-N 3.34Å; A232-S234 PolarHBondContact O-N 3Å; A232-L235 PolarHBondContact O-N 3.06Å; A232-L235 VanDerWaalsContact O-N 3.13Å; A232-L236 PolarHBondContact O-N 2.75Å
233V97.3Very high95.5Very high0 Ų057.8 Ų57.80%027%0.271CS..Hα-helixtrans-54.1-51.5169.51710000110.3L221 S224 V225 Q229 L235 L236 I237 I267 I270L221-V233 HydrophobicContact CD1-CB 4.47Å; L221-V233 HydrophobicContact CD1-CG1 4.15Å; L221-V233 HydrophobicContact CD1-CG2 4.43Å; S224-V233 VanDerWaalsContact OG-CG2 3.24Å; S224-V233 WeakPolarHBondContact OG-CG2 3.34Å; V225-V233 HydrophobicContact CG2-CG2 3.77Å; Q229-V233 PolarHBondContact O-N 3.37Å; V233-L235 PolarHBondContact O-N 3.03Å; V233-L235 VanDerWaalsContact O-N 3.15Å; V233-L236 PolarHBondContact O-N 2.83Å; V233-I237 HydrophobicContact CG1-CD1 3.55Å; V233-I237 WeakPolarHBondContact O-CB 3.43Å; V233-I237 WeakPolarHBondContact O-CG1 3.46Å; V233-I237 PolarHBondContact O-N 3.21Å; V233-I237 VanDerWaalsContact O-N 3.08Å; V233-I267 HydrophobicContact CG1-CG2 4.36Å; V233-I267 HydrophobicContact CG2-CD1 4.35Å; V233-I267 HydrophobicContact CG2-CG2 4.45Å; V233-I270 HydrophobicContact CG1-CG2 4.13Å
234S96.2Very high95.2Very high34 Ų3458.3 Ų58.324%0.23827%0.274CS..Hα-helixtrans-64-16.9179.6-580000114.4R230 A232 K238R230-S234 VanDerWaalsContact O-CB 3.29Å; R230-S234 WeakPolarHBondContact O-CB 3.48Å; R230-S234 PolarHBondContact O-N 2.89Å; R230-S234 PolarHBondContact O-OG 3.16Å; A232-S234 VanDerWaalsContact C-N 3.34Å; A232-S234 PolarHBondContact O-N 3Å; S234-K238 WeakPolarHBondContact O-CD 3.31Å; S234-K238 VanDerWaalsContact O-CE 3.3Å; S234-K238 WeakPolarHBondContact O-CE 3.49Å; S234-K238 WeakPolarHBondContact O-CG 3.48Å
235L96Very high94.8Very high25 Ų2562.9 Ų62.913%0.13129%0.292CS..Hα-helixtrans-91.9-48.3177.9-165.9132.1000111T200 R201 I204 E231 A232 V233 I237 K238 H239T200-L235 HydrophobicContact CG2-CD2 3.96Å; R201-L235 HydrophobicContact CG-CD1 3.5Å; R201-L235 HydrophobicContact CG-CD2 4Å; R201-L235 HydrophobicContact CG-CG 4.36Å; I204-L235 HydrophobicContact CD1-CD2 3.64Å; E231-L235 WeakPolarHBondContact O-CB 3.2Å; E231-L235 PolarHBondContact O-N 2.75Å; E231-L235 VanDerWaalsContact O-N 3.15Å; A232-L235 PolarHBondContact O-N 3.06Å; A232-L235 VanDerWaalsContact O-N 3.13Å; V233-L235 PolarHBondContact O-N 3.03Å; V233-L235 VanDerWaalsContact O-N 3.15Å; L235-I237 VanDerWaalsContact C-N 3.29Å; L235-I237 PolarHBondContact O-N 3.46Å; L235-K238 PolarHBondContact O-N 3.49Å; L235-H239 PolarHBondContact O-CD2 3.26Å
236L96.2Very high94.5Very high0 Ų065.9 Ų65.90%031%0.305CS..Hα-helixtrans-55.2-44.7174.6-73169.5000111.8I204 L210 L221 A232 V233 K238 H239 I242I204-L236 HydrophobicContact CD1-CD2 3.85Å; L210-L236 HydrophobicContact CD2-CD2 4.49Å; L221-L236 HydrophobicContact CB-CD1 4.05Å; L221-L236 HydrophobicContact CD1-CB 4.24Å; L221-L236 HydrophobicContact CD1-CD1 4.05Å; A232-L236 PolarHBondContact O-N 2.75Å; V233-L236 PolarHBondContact O-N 2.83Å; L236-K238 PolarHBondContact O-N 2.85Å; L236-K238 VanDerWaalsContact O-N 3.07Å; L236-H239 PolarHBondContact O-N 3.21Å; L236-I242 HydrophobicContact CB-CD1 4.17Å; L236-I242 HydrophobicContact CB-CG1 4.43Å; L236-I242 HydrophobicContact CD2-CD1 4.23Å
237I94.5Very high94.3Very high35 Ų3569.1 Ų69.118%0.17931%0.314CS..THydrogen-bonded Turntrans-59.1-19.7-179.4-80.9170.8000114.3L221 V233 L235 H239 L244 I270 L271 A274L221-I237 HydrophobicContact CD1-CG1 4.35Å; V233-I237 HydrophobicContact CG1-CD1 3.55Å; V233-I237 WeakPolarHBondContact O-CB 3.43Å; V233-I237 WeakPolarHBondContact O-CG1 3.46Å; V233-I237 PolarHBondContact O-N 3.21Å; V233-I237 VanDerWaalsContact O-N 3.08Å; L235-I237 VanDerWaalsContact C-N 3.29Å; L235-I237 PolarHBondContact O-N 3.46Å; I237-H239 VanDerWaalsContact C-N 3.34Å; I237-L244 HydrophobicContact CG1-CD2 4.1Å; I237-I270 HydrophobicContact CD1-CG2 3.64Å; I237-L271 HydrophobicContact CD1-CD2 3.89Å; I237-L271 HydrophobicContact CD1-CG 4.48Å; I237-A274 HydrophobicContact CB-CB 4.49Å; I237-A274 HydrophobicContact CD1-CB 4.09Å; I237-A274 HydrophobicContact CG1-CB 4.26Å; I237-A274 HydrophobicContact CG2-CB 3.48Å; I237-A274 VanDerWaalsContact CG2-CB 3.48Å
238K93.4Very high94.2Very high170 Ų17063.8 Ų63.874%0.73929%0.294SS*.THydrogen-bonded Turntrans-81.5-12.8178.1-67.5174.4-178.9-179.20113.5S234 L235 L236S234-K238 WeakPolarHBondContact O-CD 3.31Å; S234-K238 VanDerWaalsContact O-CE 3.3Å; S234-K238 WeakPolarHBondContact O-CE 3.49Å; S234-K238 WeakPolarHBondContact O-CG 3.48Å; L235-K238 PolarHBondContact O-N 3.49Å; L236-K238 PolarHBondContact O-N 2.85Å; L236-K238 VanDerWaalsContact O-N 3.07Å
239H93.3Very high94Very high70 Ų7065.8 Ų65.832%0.32430%0.299SS..SBendtrans-90.7126.2177-68-88.5000109.8I204 L210 L235 L236 I237 D241 I242I204-H239 VanDerWaalsContact CG2-CE1 3.48Å; I204-H239 WeakPolarHBondContact CG2-CE1 3.37Å; L210-H239 HydrophobicContact CD1-CB 3.76Å; L235-H239 PolarHBondContact O-CD2 3.26Å; L236-H239 PolarHBondContact O-N 3.21Å; I237-H239 VanDerWaalsContact C-N 3.34Å; H239-D241 PolarHBondContact O-N 2.9Å; H239-D241 VanDerWaalsContact O-N 3.14Å; H239-I242 WeakPolarHBondContact O-CG2 3.32Å; H239-I242 PolarHBondContact O-N 2.75Å
240K88.2Confident93.7Very high207 Ų20767.6 Ų67.690%0.932%0.316SS*.THydrogen-bonded Turntrans-61.2-25.4-174.8-67.9-174.7178.3-178.40113.4I242K240-I242 VanDerWaalsContact C-N 3.26Å; K240-I242 PolarHBondContact O-N 2.74Å
241D92.7Very high93.4Very high118 Ų11865.2 Ų65.263%0.63131%0.314SS*.THydrogen-bonded Turntrans-83.21.3-174.2-38.5-73.6000113L210 N211 H239L210-D241 HydrophobicContact CD1-CB 4.34Å; N211-D241 PolarHBondContact ND2-O 3.01Å; H239-D241 PolarHBondContact O-N 2.9Å; H239-D241 VanDerWaalsContact O-N 3.14Å
242I94.8Very high93.2Very high20 Ų2061 Ų6110%0.10330%0.295CS..  trans-77.5121.8178.4-160.872.4000111.1L210 L221 L236 H239 K240 L244L210-I242 HydrophobicContact CB-CD1 3.87Å; L221-I242 HydrophobicContact CB-CD1 4.38Å; L221-I242 HydrophobicContact CD2-CG1 4.15Å; L236-I242 HydrophobicContact CB-CD1 4.17Å; L236-I242 HydrophobicContact CB-CG1 4.43Å; L236-I242 HydrophobicContact CD2-CD1 4.23Å; H239-I242 WeakPolarHBondContact O-CG2 3.32Å; H239-I242 PolarHBondContact O-N 2.75Å; K240-I242 VanDerWaalsContact C-N 3.26Å; K240-I242 PolarHBondContact O-N 2.74Å; I242-L244 HydrophobicContact CG2-CD2 4.08Å; I242-L244 PolarHBondContact O-N 3.26Å
243D92.9Very high93Very high54 Ų5461.3 Ų61.329%0.28930%0.296SS..  trans-91.797.9178.1179.94.4000110N211 Y245 K246N211-D243 WeakPolarHBondContact ND2-CB 3.02Å; N211-D243 PolarHBondContact ND2-N 3.42Å; N211-D243 PolarHBondContact OD1-N 2.89Å; D243-Y245 PolarHBondContact O-N 2.92Å; D243-Y245 WeakPolarHBondContact OD1-CA 3.45Å; D243-Y245 PolarHBondContact OD1-N 2.68Å; D243-K246 HydrophobicContact CB-CG 3.91Å; D243-K246 PolarHBondContact OD1-N 3.13Å; D243-K246 VanDerWaalsContact OD2-CD 3.3Å; D243-K246 WeakPolarHBondContact OD2-CD 3.21Å; D243-K246 WeakPolarHBondContact OD2-CE 3.49Å; D243-K246 VanDerWaalsContact OD2-CG 3.32Å; D243-K246 WeakPolarHBondContact OD2-CG 3.29Å
244L90.9Very high92.8Very high16 Ų1661.3 Ų61.38%0.08430%0.296CS..THydrogen-bonded Turntrans-65.2-25.2177.4-54.9-179000112.7L221 I237 I242 L271 A274 G275 W277L221-L244 HydrophobicContact CD2-CD2 3.59Å; I237-L244 HydrophobicContact CG1-CD2 4.1Å; I242-L244 HydrophobicContact CG2-CD2 4.08Å; I242-L244 PolarHBondContact O-N 3.26Å; L244-L271 HydrophobicContact CD2-CD2 4.49Å; L244-A274 HydrophobicContact CD1-CB 3.96Å; L244-G275 VanDerWaalsContact CD1-CA 3.48Å; L244-W277 HydrophobicContact CB-CH2 4.06Å; L244-W277 HydrophobicContact CB-CZ2 4.03Å; L244-W277 WeakPolarHBondContact O-CH2 3.29Å
245Y90.2Very high92.7Very high96 Ų9659.8 Ų59.838%0.37629%0.285SS..THydrogen-bonded Turntrans-94.92.7-172-48.5-76.9000112.9D243 N276 W277D243-Y245 PolarHBondContact O-N 2.92Å; D243-Y245 WeakPolarHBondContact OD1-CA 3.45Å; D243-Y245 PolarHBondContact OD1-N 2.68Å; Y245-N276 PolarHBondContact OH-N 2.86Å; Y245-N276 PolarHBondContact OH-O 2.9Å; Y245-W277 HydrophobicContact CD1-CE3 4.02Å; Y245-W277 AromaticContact CD1-CZ3 3.93Å; Y245-W277 HydrophobicContact CD1-CZ3 3.93Å; Y245-W277 HydrophobicContact CE1-CD2 4.29Å; Y245-W277 AromaticContact CE1-CE3 3.98Å; Y245-W277 HydrophobicContact CE1-CE3 3.98Å; Y245-W277 HydrophobicContact CE1-CZ3 4.26Å
246K92.3Very high92.6Very high62 Ų6258.6 Ų58.627%0.2728%0.279SS..  trans-50.3149.3163.7-79.3-53.4-169.2161.50111.2T219 M222 D243 T254T219-K246 HydrophobicContact CG2-CB 3.91Å; T219-K246 HydrophobicContact CG2-CG 3.93Å; M222-K246 HydrophobicContact CE-CB 4.37Å; M222-K246 WeakPolarHBondContact CE-O 3.39Å; D243-K246 HydrophobicContact CB-CG 3.91Å; D243-K246 PolarHBondContact OD1-N 3.13Å; D243-K246 VanDerWaalsContact OD2-CD 3.3Å; D243-K246 WeakPolarHBondContact OD2-CD 3.21Å; D243-K246 WeakPolarHBondContact OD2-CE 3.49Å; D243-K246 VanDerWaalsContact OD2-CG 3.32Å; D243-K246 WeakPolarHBondContact OD2-CG 3.29Å; K246-T254 WeakPolarHBondContact O-CA 3.29Å
247R92.2Very high92.4Very high92 Ų9258.6 Ų58.635%0.34728%0.279SS..  trans-125.7140.8-178.2-61.2178.4178.9-145.5-4.3109.8Q213 G252 D253 T254 Y281 Y283Q213-R247 PolarHBondContact NE2-O 3.37Å; R247-G252 WeakPolarHBondContact CG-O 3.35Å; R247-D253 WeakPolarHBondContact CA-O 3.31Å; R247-T254 HydrophobicContact CG-CG2 4.19Å; R247-Y281 PolarHBondContact NH2-O 3.06Å; R247-Y283 PolarHBondContact NH1-O 2.84Å; R247-Y283 PolarHBondContact NH2-O 3.21Å
248D93.9Very high92.4Very high11 Ų1157.7 Ų57.76%0.05927%0.274CS..  trans-66.7159.3166.396.7-73.3000110.6L218 C250 T251 G252 D253L218-D248 HydrophobicContact CD2-CB 3.77Å; D248-C250 WeakPolarHBondContact OD2-CA 3.24Å; D248-C250 VanDerWaalsContact OD2-CB 3.28Å; D248-C250 WeakPolarHBondContact OD2-CB 3.42Å; D248-C250 PolarHBondContact OD2-N 3.39Å; D248-T251 VanDerWaalsContact CG-OG1 3.25Å; D248-T251 WeakPolarHBondContact OD1-CA 3.31Å; D248-T251 WeakPolarHBondContact OD1-CB 3.41Å; D248-T251 PolarHBondContact OD1-N 3.02Å; D248-T251 VanDerWaalsContact OD1-N 3.16Å; D248-T251 PolarHBondContact OD1-OG1 2.9Å; D248-T251 PolarHBondContact OD2-N 3.48Å; D248-T251 PolarHBondContact OD2-OG1 3.26Å; D248-G252 VanDerWaalsContact O-CA 3.29Å; D248-G252 WeakPolarHBondContact O-CA 3.29Å; D248-G252 PolarHBondContact O-N 3.21Å; D248-G252 PolarHBondContact OD1-N 2.78Å; D248-D253 PolarHBondContact N-O 2.89Å; D248-D253 PolarHBondContact OD1-N 3.27Å
249F93.2Very high92.6Very high122 Ų12249.6 Ų49.654%0.53524%0.239SC..THydrogen-bonded Turntrans-87.6-24.1-177.2-57-32.2000112.9Q213 I216 G217Q213-F249 HydrophobicContact CB-CZ 4.15Å; I216-F249 PolarHBondContact O-N 2.81Å; G217-F249 VanDerWaalsContact CA-CE2 3.46Å; G217-F249 VanDerWaalsContact N-CD2 3.28Å
250C91Very high92.6Very high88 Ų8846.2 Ų46.260%0.59522%0.224SC*.THydrogen-bonded Turntrans-78.6-49-178.3-60.70000111.7D248D248-C250 WeakPolarHBondContact OD2-CA 3.24Å; D248-C250 VanDerWaalsContact OD2-CB 3.28Å; D248-C250 WeakPolarHBondContact OD2-CB 3.42Å; D248-C250 PolarHBondContact OD2-N 3.39Å
251T90.3Very high92.8Very high60 Ų6038 Ų3837%0.36819%0.188SC..THydrogen-bonded Turntrans-109.1-18.6-176.8480000114.8D248 N284 N285D248-T251 VanDerWaalsContact CG-OG1 3.25Å; D248-T251 WeakPolarHBondContact OD1-CA 3.31Å; D248-T251 WeakPolarHBondContact OD1-CB 3.41Å; D248-T251 PolarHBondContact OD1-N 3.02Å; D248-T251 VanDerWaalsContact OD1-N 3.16Å; D248-T251 PolarHBondContact OD1-OG1 2.9Å; D248-T251 PolarHBondContact OD2-N 3.48Å; D248-T251 PolarHBondContact OD2-OG1 3.26Å; T251-N284 WeakPolarHBondContact O-CB 3.45Å; T251-N285 VanDerWaalsContact O-CB 3.22Å; T251-N285 WeakPolarHBondContact O-CB 3.29Å; T251-N285 PolarHBondContact O-N 2.81Å
252G91.2Very high93Very high1 Ų137.7 Ų37.71%0.0118%0.181CC..  trans76.110.9-172.300000113.5R247 D248 N284 N285R247-G252 WeakPolarHBondContact CG-O 3.35Å; D248-G252 VanDerWaalsContact O-CA 3.29Å; D248-G252 WeakPolarHBondContact O-CA 3.29Å; D248-G252 PolarHBondContact O-N 3.21Å; D248-G252 PolarHBondContact OD1-N 2.78Å; G252-N284 WeakPolarHBondContact O-CA 3.26Å; G252-N285 WeakPolarHBondContact CA-OD1 3.49Å; G252-N285 PolarHBondContact N-ND2 3.37Å
253D92.1Very high93Very high6 Ų639.6 Ų39.63%0.03219%0.191CC..  trans-70.9137.9-177.7-85.13.7000110.5M222 R247 D248 H257 I258 K261 N284M222-D253 WeakPolarHBondContact CE-O 3.3Å; R247-D253 WeakPolarHBondContact CA-O 3.31Å; D248-D253 PolarHBondContact N-O 2.89Å; D248-D253 PolarHBondContact OD1-N 3.27Å; D253-H257 HydrophobicContact CB-CB 3.73Å; D253-I258 HydrophobicContact CB-CG1 4.13Å; D253-K261 IonicContact OD1-NZ 3.49Å; D253-K261 PolarHBondContact OD1-NZ 2.79Å; D253-K261 WeakPolarHBondContact OD2-CD 3.45Å; D253-K261 VanDerWaalsContact OD2-CE 3.25Å; D253-K261 WeakPolarHBondContact OD2-CE 3.33Å; D253-K261 IonicContact OD2-NZ 3.48Å; D253-K261 PolarHBondContact OD2-NZ 3.04Å; D253-N284 WeakPolarHBondContact OD1-CB 3.33Å; D253-N284 PolarHBondContact OD1-ND2 2.9Å
254T93.6Very high93.2Very high1 Ų139.8 Ų39.81%0.00619%0.188CC..  trans-84.3169.116570.90000111K246 R247 L256 H257 I258 W277K246-T254 WeakPolarHBondContact O-CA 3.29Å; R247-T254 HydrophobicContact CG-CG2 4.19Å; T254-L256 PolarHBondContact O-N 3.12Å; T254-L256 PolarHBondContact OG1-N 2.84Å; T254-H257 PolarHBondContact N-ND1 2.88Å; T254-H257 WeakPolarHBondContact O-CB 3.2Å; T254-H257 PolarHBondContact O-N 3.09Å; T254-H257 PolarHBondContact OG1-ND1 3.05Å; T254-I258 PolarHBondContact O-N 3.46Å; T254-W277 HydrophobicContact CG2-CZ3 4.15Å; T254-W277 VanDerWaalsContact OG1-CZ3 3.29Å; T254-W277 WeakPolarHBondContact OG1-CZ3 3.3Å
255A95Very high93.3Very high1 Ų141 Ų411%0.00819%0.194CC..Hα-helixtrans-51.3-32.1174.200000113.3L221 M222 V225 A259 L271L221-A255 HydrophobicContact CD2-CB 4.08Å; L221-A255 HydrophobicContact CG-CB 4.2Å; M222-A255 HydrophobicContact CG-CB 4.16Å; V225-A255 HydrophobicContact CG2-CB 4.29Å; A255-A259 WeakPolarHBondContact O-CB 3.25Å; A255-A259 PolarHBondContact O-N 2.86Å; A255-A259 VanDerWaalsContact O-N 3.12Å; A255-L271 HydrophobicContact CB-CD1 4.32Å; A255-L271 HydrophobicContact CB-CD2 4.19Å
256L93.5Very high93.5Very high0 Ų041.7 Ų41.70%020%0.201CC..Hα-helixtrans-70.6-40.7176.1-179.659.8000113T254 A259 V260 V268 L271 L272 W277 F290T254-L256 PolarHBondContact O-N 3.12Å; T254-L256 PolarHBondContact OG1-N 2.84Å; L256-A259 PolarHBondContact O-N 3.46Å; L256-V260 HydrophobicContact CD1-CG2 4.35Å; L256-V260 VanDerWaalsContact O-CG2 3.31Å; L256-V260 WeakPolarHBondContact O-CG2 3.43Å; L256-V260 PolarHBondContact O-N 3.19Å; L256-V268 HydrophobicContact CD1-CB 4.41Å; L256-V268 HydrophobicContact CD1-CG1 3.91Å; L256-V268 HydrophobicContact CD1-CG2 4.34Å; L256-L271 HydrophobicContact CB-CD1 4.5Å; L256-L271 HydrophobicContact CD1-CB 4.31Å; L256-L272 HydrophobicContact CD1-CD2 4.26Å; L256-L272 HydrophobicContact CD1-CG 4.49Å; L256-L272 HydrophobicContact CD2-CD2 3.91Å; L256-W277 HydrophobicContact CB-CD2 4.3Å; L256-W277 HydrophobicContact CB-CE3 4.23Å; L256-W277 HydrophobicContact CB-CH2 3.69Å; L256-W277 HydrophobicContact CB-CZ2 3.78Å; L256-W277 HydrophobicContact CB-CZ3 3.95Å; L256-W277 HydrophobicContact CD2-CB 4.23Å; L256-W277 HydrophobicContact CD2-CD2 3.53Å; L256-W277 HydrophobicContact CD2-CE3 3.9Å; L256-W277 HydrophobicContact CD2-CG 3.7Å; L256-W277 HydrophobicContact CD2-CZ2 4.38Å; L256-W277 HydrophobicContact CD2-CZ3 4.48Å; L256-F290 HydrophobicContact CD2-CB 4.48Å; L256-F290 HydrophobicContact CD2-CD1 3.59Å; L256-F290 HydrophobicContact CD2-CD2 4.16Å; L256-F290 HydrophobicContact CD2-CE1 3.69Å; L256-F290 HydrophobicContact CD2-CE2 4.25Å; L256-F290 HydrophobicContact CD2-CG 3.83Å; L256-F290 HydrophobicContact CD2-CZ 4.01Å; L256-F290 HydrophobicContact CG-CB 4.27Å; L256-F290 HydrophobicContact CG-CD1 4.22Å; L256-F290 HydrophobicContact CG-CG 4.15Å
257H92.1Very high93.7Very high0 Ų038.8 Ų38.80%019%0.188CC..Hα-helixtrans-61-47176-65.676.5000110.1D253 T254 A259 V260 K261 F290 D293D253-H257 HydrophobicContact CB-CB 3.73Å; T254-H257 PolarHBondContact N-ND1 2.88Å; T254-H257 WeakPolarHBondContact O-CB 3.2Å; T254-H257 PolarHBondContact O-N 3.09Å; T254-H257 PolarHBondContact OG1-ND1 3.05Å; H257-A259 PolarHBondContact O-N 2.8Å; H257-V260 PolarHBondContact O-N 3.02Å; H257-K261 WeakPolarHBondContact O-CG 3.5Å; H257-K261 PolarHBondContact O-N 3.19Å; H257-F290 PolarHBondContact CD2-N 2.72Å; H257-F290 PolarHBondContact NE2-N 3.1Å; H257-F290 VanDerWaalsContact NE2-N 3.12Å; H257-D293 IonicContact CD2-OD2 3.43Å; H257-D293 PolarHBondContact CD2-OD2 2.99Å; H257-D293 IonicContact CG-OD2 2.65Å
258I94.7Very high93.8Very high16 Ų1634.4 Ų34.48%0.08217%0.171CC..Hα-helixtrans-57.3-47.5176.5-57.3174000111L218 M222 V225 S226 D253 T254 V260 K261 K262L218-I258 HydrophobicContact CD2-CD1 3.87Å; M222-I258 HydrophobicContact CB-CD1 3.83Å; M222-I258 HydrophobicContact CG-CD1 3.9Å; M222-I258 HydrophobicContact SD-CD1 4.47Å; V225-I258 HydrophobicContact CG1-CB 4.08Å; V225-I258 HydrophobicContact CG1-CG2 3.88Å; S226-I258 WeakPolarHBondContact OG-CG2 3.49Å; D253-I258 HydrophobicContact CB-CG1 4.13Å; T254-I258 PolarHBondContact O-N 3.46Å; I258-V260 VanDerWaalsContact C-N 3.32Å; I258-V260 PolarHBondContact O-N 2.72Å; I258-K261 PolarHBondContact O-N 2.95Å; I258-K262 HydrophobicContact CG2-CG 4.37Å; I258-K262 WeakPolarHBondContact O-CB 3.22Å; I258-K262 WeakPolarHBondContact O-CG 3.46Å; I258-K262 PolarHBondContact O-N 3.05Å
259A96Very high93.7Very high0 Ų035.8 Ų35.80%018%0.178CC..Hα-helixtrans-60.6-39.4178.900000112.7V225 A255 L256 H257 N263 Y264 I267 V268 L271V225-A259 HydrophobicContact CG1-CB 3.7Å; A255-A259 WeakPolarHBondContact O-CB 3.25Å; A255-A259 PolarHBondContact O-N 2.86Å; A255-A259 VanDerWaalsContact O-N 3.12Å; L256-A259 PolarHBondContact O-N 3.46Å; H257-A259 PolarHBondContact O-N 2.8Å; A259-N263 PolarHBondContact O-N 3.35Å; A259-N263 VanDerWaalsContact O-N 3.08Å; A259-Y264 PolarHBondContact O-N 3.32Å; A259-I267 HydrophobicContact CB-CG2 3.87Å; A259-V268 HydrophobicContact CB-CG2 3.66Å; A259-L271 HydrophobicContact CB-CD1 3.94Å
260V93.8Very high93.7Very high0 Ų031.4 Ų31.40%016%0.16CC..Hα-helixtrans-67.7-51.3176.6168.50000111.8L256 H257 I258 K262 N263 V268 F290 D293 V294 L302 F306L256-V260 HydrophobicContact CD1-CG2 4.35Å; L256-V260 VanDerWaalsContact O-CG2 3.31Å; L256-V260 WeakPolarHBondContact O-CG2 3.43Å; L256-V260 PolarHBondContact O-N 3.19Å; H257-V260 PolarHBondContact O-N 3.02Å; I258-V260 VanDerWaalsContact C-N 3.32Å; I258-V260 PolarHBondContact O-N 2.72Å; V260-K262 PolarHBondContact O-N 2.81Å; V260-N263 PolarHBondContact O-N 2.82Å; V260-V268 HydrophobicContact CG2-CG2 3.95Å; V260-F290 HydrophobicContact CG2-CB 4.33Å; V260-D293 HydrophobicContact CB-CB 4.4Å; V260-D293 HydrophobicContact CG1-CB 3.57Å; V260-V294 HydrophobicContact CG1-CB 4.36Å; V260-V294 HydrophobicContact CG1-CG2 3.49Å; V260-V294 VanDerWaalsContact CG1-CG2 3.49Å; V260-V294 HydrophobicContact CG2-CG2 4.44Å; V260-L302 HydrophobicContact CB-CD1 4.25Å; V260-L302 HydrophobicContact CG1-CD1 4.09Å; V260-L302 HydrophobicContact CG2-CD1 4.18Å; V260-F306 HydrophobicContact CG2-CE2 4.16Å; V260-F306 HydrophobicContact CG2-CZ 3.65Å
261K93.2Very high93.8Very high35 Ų3527.2 Ų27.215%0.15213%0.131CC..Hα-helixtrans-56.5-40.8179.9-68.1-178.2179.3175.50111D253 H257 I258 D293 Y297 R299D253-K261 IonicContact OD1-NZ 3.49Å; D253-K261 PolarHBondContact OD1-NZ 2.79Å; D253-K261 WeakPolarHBondContact OD2-CD 3.45Å; D253-K261 VanDerWaalsContact OD2-CE 3.25Å; D253-K261 WeakPolarHBondContact OD2-CE 3.33Å; D253-K261 IonicContact OD2-NZ 3.48Å; D253-K261 PolarHBondContact OD2-NZ 3.04Å; H257-K261 WeakPolarHBondContact O-CG 3.5Å; H257-K261 PolarHBondContact O-N 3.19Å; I258-K261 PolarHBondContact O-N 2.95Å; K261-D293 WeakPolarHBondContact CE-OD1 3.36Å; K261-D293 VanDerWaalsContact CE-OD2 3.23Å; K261-D293 WeakPolarHBondContact CE-OD2 3.42Å; K261-D293 HydrophobicContact CG-CB 4.12Å; K261-D293 IonicContact NZ-OD1 2.76Å; K261-Y297 HydrophobicContact CB-CD2 4.39Å; K261-Y297 HydrophobicContact CB-CE2 4.18Å; K261-Y297 HydrophobicContact CD-CE2 4.01Å; K261-Y297 HydrophobicContact CG-CD2 3.99Å; K261-Y297 HydrophobicContact CG-CE2 3.58Å; K261-R299 PolarHBondContact O-NH2 3.28Å
262K95.5Very high93.6Very high111 Ų11124.6 Ų24.648%0.48312%0.115SC..THydrogen-bonded Turntrans-78.1-10.2176.2-62.8-73.9-175.7170.70115.3I258 V260 Y264I258-K262 HydrophobicContact CG2-CG 4.37Å; I258-K262 WeakPolarHBondContact O-CB 3.22Å; I258-K262 WeakPolarHBondContact O-CG 3.46Å; I258-K262 PolarHBondContact O-N 3.05Å; V260-K262 PolarHBondContact O-N 2.81Å; K262-Y264 HydrophobicContact CB-CD1 4.23Å; K262-Y264 HydrophobicContact CB-CD2 3.6Å; K262-Y264 HydrophobicContact CB-CE1 4.05Å; K262-Y264 HydrophobicContact CB-CE2 3.39Å; K262-Y264 HydrophobicContact CB-CG 4.01Å; K262-Y264 HydrophobicContact CD-CE2 4.33Å; K262-Y264 HydrophobicContact CG-CD2 4.34Å; K262-Y264 HydrophobicContact CG-CE2 3.82Å
263N95.9Very high93.4Very high59 Ų5930.3 Ų30.332%0.31614%0.136SC..THydrogen-bonded Turntrans61.636-175.2-157.451.3000115.6A259 V260 I265 R299A259-N263 PolarHBondContact O-N 3.35Å; A259-N263 VanDerWaalsContact O-N 3.08Å; V260-N263 PolarHBondContact O-N 2.82Å; N263-I265 PolarHBondContact O-N 2.61Å; N263-I265 VanDerWaalsContact O-N 3.08Å; N263-R299 WeakPolarHBondContact OD1-CD 3.4Å
264Y96.7Very high93.2Very high59 Ų5932.1 Ų32.123%0.23115%0.152CC..  trans-86.475.3179.1-59.5-30000111.1V225 N228 A259 K262 H266 I267 V268V225-Y264 VanDerWaalsContact O-CD2 3.25Å; V225-Y264 WeakPolarHBondContact O-CD2 3.36Å; V225-Y264 WeakPolarHBondContact O-CE2 3.47Å; N228-Y264 HydrophobicContact CB-CD1 4.23Å; N228-Y264 HydrophobicContact CB-CD2 4.02Å; N228-Y264 HydrophobicContact CB-CE1 3.98Å; N228-Y264 HydrophobicContact CB-CE2 3.74Å; N228-Y264 HydrophobicContact CB-CG 4.27Å; A259-Y264 PolarHBondContact O-N 3.32Å; K262-Y264 HydrophobicContact CB-CD1 4.23Å; K262-Y264 HydrophobicContact CB-CD2 3.6Å; K262-Y264 HydrophobicContact CB-CE1 4.05Å; K262-Y264 HydrophobicContact CB-CE2 3.39Å; K262-Y264 HydrophobicContact CB-CG 4.01Å; K262-Y264 HydrophobicContact CD-CE2 4.33Å; K262-Y264 HydrophobicContact CG-CD2 4.34Å; K262-Y264 HydrophobicContact CG-CE2 3.82Å; Y264-H266 PolarHBondContact O-N 3.16Å; Y264-I267 HydrophobicContact CD2-CD1 4.38Å; Y264-I267 CarbonylContact O-C 3.54Å; Y264-I267 WeakPolarHBondContact O-CA 3.28Å; Y264-I267 WeakPolarHBondContact O-CB 3.33Å; Y264-I267 PolarHBondContact O-N 2.78Å; Y264-V268 PolarHBondContact O-N 2.76Å
265I93.5Very high92.5Very high40 Ų4032.5 Ų32.521%0.20516%0.156CC..Hα-helixtrans-49.6-50.4-170.4-56.5177.8000113N263 I267 V268 E269 E301 L302 L305N263-I265 PolarHBondContact O-N 2.61Å; N263-I265 VanDerWaalsContact O-N 3.08Å; I265-I267 VanDerWaalsContact C-N 3.3Å; I265-I267 PolarHBondContact O-N 3.23Å; I265-V268 WeakPolarHBondContact O-CB 3.39Å; I265-V268 PolarHBondContact O-N 2.82Å; I265-V268 VanDerWaalsContact O-N 3.16Å; I265-E269 PolarHBondContact O-N 3.31Å; I265-E301 HydrophobicContact CD1-CB 4.09Å; I265-E301 WeakPolarHBondContact CD1-OE2 3.41Å; I265-L302 HydrophobicContact CB-CD2 4.23Å; I265-L302 HydrophobicContact CG1-CD2 3.87Å; I265-L302 HydrophobicContact CG1-CG 4.41Å; I265-L302 HydrophobicContact CG2-CD2 4.18Å; I265-L305 HydrophobicContact CG2-CD1 3.72Å
266H95.1Very high91.6Very high111 Ų11136.1 Ų36.151%0.51418%0.176SC..Hα-helixtrans-64.7-31.9178.5-63.4-43.9000113.5Y264 E269 I270Y264-H266 PolarHBondContact O-N 3.16Å; H266-E269 IonicContact CE1-OE1 2.64Å; H266-E269 IonicContact ND1-OE1 3.34Å; H266-E269 PolarHBondContact ND1-OE1 3.03Å; H266-E269 PolarHBondContact O-N 3.09Å; H266-I270 WeakPolarHBondContact O-CB 3.01Å; H266-I270 VanDerWaalsContact O-CD1 3.24Å; H266-I270 WeakPolarHBondContact O-CD1 3.34Å; H266-I270 WeakPolarHBondContact O-CG1 3.49Å; H266-I270 PolarHBondContact O-N 2.82Å
267I96.2Very high90.6Very high1 Ų136.1 Ų36.11%0.00518%0.176CC..Hα-helixtrans-72.5-38175-69.1179.9000110.3V225 N228 R230 V233 A259 Y264 I265 I270 L271V225-I267 HydrophobicContact CB-CG2 4.39Å; V225-I267 HydrophobicContact CG1-CG2 4.06Å; V225-I267 HydrophobicContact CG2-CG2 3.81Å; N228-I267 VanDerWaalsContact OD1-CD1 3.3Å; N228-I267 WeakPolarHBondContact OD1-CD1 3.5Å; R230-I267 HydrophobicContact CB-CD1 4.46Å; R230-I267 HydrophobicContact CB-CG1 4.25Å; R230-I267 HydrophobicContact CG-CG1 4.44Å; V233-I267 HydrophobicContact CG1-CG2 4.36Å; V233-I267 HydrophobicContact CG2-CD1 4.35Å; V233-I267 HydrophobicContact CG2-CG2 4.45Å; A259-I267 HydrophobicContact CB-CG2 3.87Å; Y264-I267 HydrophobicContact CD2-CD1 4.38Å; Y264-I267 CarbonylContact O-C 3.54Å; Y264-I267 WeakPolarHBondContact O-CA 3.28Å; Y264-I267 WeakPolarHBondContact O-CB 3.33Å; Y264-I267 PolarHBondContact O-N 2.78Å; I265-I267 VanDerWaalsContact C-N 3.3Å; I265-I267 PolarHBondContact O-N 3.23Å; I267-I270 PolarHBondContact O-N 2.91Å; I267-L271 HydrophobicContact CG2-CD1 3.86Å; I267-L271 HydrophobicContact CG2-CG 4.42Å; I267-L271 WeakPolarHBondContact O-CB 3.3Å; I267-L271 VanDerWaalsContact O-CG 3.31Å; I267-L271 WeakPolarHBondContact O-CG 3.49Å; I267-L271 PolarHBondContact O-N 3.37Å
268V93.7Very high89.3Confident0 Ų041 Ų410%020%0.195CC..Hα-helixtrans-57.6-50.8169.3172.50000110.2L256 A259 V260 Y264 I265 I270 L271 L272 L302 L305 F306L256-V268 HydrophobicContact CD1-CB 4.41Å; L256-V268 HydrophobicContact CD1-CG1 3.91Å; L256-V268 HydrophobicContact CD1-CG2 4.34Å; A259-V268 HydrophobicContact CB-CG2 3.66Å; V260-V268 HydrophobicContact CG2-CG2 3.95Å; Y264-V268 PolarHBondContact O-N 2.76Å; I265-V268 WeakPolarHBondContact O-CB 3.39Å; I265-V268 PolarHBondContact O-N 2.82Å; I265-V268 VanDerWaalsContact O-N 3.16Å; V268-I270 VanDerWaalsContact C-N 3.33Å; V268-I270 PolarHBondContact O-N 3.26Å; V268-L271 PolarHBondContact O-N 3.01Å; V268-L272 HydrophobicContact CG1-CD1 3.97Å; V268-L272 HydrophobicContact CG1-CG 4.14Å; V268-L272 WeakPolarHBondContact O-CB 3.24Å; V268-L272 VanDerWaalsContact O-CG 3.27Å; V268-L272 WeakPolarHBondContact O-CG 3.17Å; V268-L272 PolarHBondContact O-N 3.33Å; V268-L302 HydrophobicContact CB-CD2 4.08Å; V268-L302 HydrophobicContact CG1-CD2 4.05Å; V268-L302 HydrophobicContact CG2-CD1 4.31Å; V268-L302 HydrophobicContact CG2-CD2 4.06Å; V268-L305 HydrophobicContact CG1-CD2 4.34Å; V268-F306 HydrophobicContact CG1-CE1 3.8Å; V268-F306 HydrophobicContact CG1-CZ 4.22Å
269E92Very high87.7Confident40 Ų4040.6 Ų40.619%0.18719%0.192CC..Hα-helixtrans-54.8-46.1175.7-71.7-178.2-111.700113I265 H266 L272 R273 L305I265-E269 PolarHBondContact O-N 3.31Å; H266-E269 IonicContact CE1-OE1 2.64Å; H266-E269 IonicContact ND1-OE1 3.34Å; H266-E269 PolarHBondContact ND1-OE1 3.03Å; H266-E269 PolarHBondContact O-N 3.09Å; E269-L272 PolarHBondContact O-N 3.34Å; E269-R273 WeakPolarHBondContact O-CB 3.49Å; E269-R273 WeakPolarHBondContact O-CG 3.39Å; E269-R273 PolarHBondContact O-N 3.34Å; E269-R273 IonicContact OE2-CZ 2.75Å; E269-R273 IonicContact OE2-NH1 2.86Å; E269-R273 PolarHBondContact OE2-NH1 2.88Å; E269-R273 IonicContact OE2-NH2 3.39Å; E269-R273 PolarHBondContact OE2-NH2 3.34Å; E269-L305 HydrophobicContact CG-CD1 3.84Å
270I93.1Very high85.6Confident31 Ų3144.1 Ų44.116%0.15921%0.209CC..Hα-helixtrans-64.9-43.2-178.5-69.9158.9000110.4R230 V233 I237 H266 I267 V268 R273 A274R230-I270 HydrophobicContact CG-CD1 3.59Å; V233-I270 HydrophobicContact CG1-CG2 4.13Å; I237-I270 HydrophobicContact CD1-CG2 3.64Å; H266-I270 WeakPolarHBondContact O-CB 3.01Å; H266-I270 VanDerWaalsContact O-CD1 3.24Å; H266-I270 WeakPolarHBondContact O-CD1 3.34Å; H266-I270 WeakPolarHBondContact O-CG1 3.49Å; H266-I270 PolarHBondContact O-N 2.82Å; I267-I270 PolarHBondContact O-N 2.91Å; V268-I270 VanDerWaalsContact C-N 3.33Å; V268-I270 PolarHBondContact O-N 3.26Å; I270-R273 PolarHBondContact O-N 2.92Å; I270-A274 VanDerWaalsContact O-CB 3.29Å; I270-A274 WeakPolarHBondContact O-CB 3.27Å; I270-A274 PolarHBondContact O-N 2.91Å
271L92.3Very high83.9Confident0 Ų052.2 Ų52.20%024%0.241CC..Hα-helixtrans-64.9-40.7175.6-72.3166.1000112L221 V225 I237 L244 A255 L256 A259 I267 V268 A274 G275 W277L221-L271 HydrophobicContact CD2-CD2 4.44Å; V225-L271 HydrophobicContact CG2-CD1 4.18Å; I237-L271 HydrophobicContact CD1-CD2 3.89Å; I237-L271 HydrophobicContact CD1-CG 4.48Å; L244-L271 HydrophobicContact CD2-CD2 4.49Å; A255-L271 HydrophobicContact CB-CD1 4.32Å; A255-L271 HydrophobicContact CB-CD2 4.19Å; L256-L271 HydrophobicContact CB-CD1 4.5Å; L256-L271 HydrophobicContact CD1-CB 4.31Å; A259-L271 HydrophobicContact CB-CD1 3.94Å; I267-L271 HydrophobicContact CG2-CD1 3.86Å; I267-L271 HydrophobicContact CG2-CG 4.42Å; I267-L271 WeakPolarHBondContact O-CB 3.3Å; I267-L271 VanDerWaalsContact O-CG 3.31Å; I267-L271 WeakPolarHBondContact O-CG 3.49Å; I267-L271 PolarHBondContact O-N 3.37Å; V268-L271 PolarHBondContact O-N 3.01Å; L271-A274 PolarHBondContact O-N 3.16Å; L271-G275 PolarHBondContact O-N 3.01Å; L271-W277 HydrophobicContact CB-CZ2 4.3Å; L271-W277 HydrophobicContact CD2-CZ2 4.37Å; L271-W277 PolarHBondContact O-NE1 2.97Å
272L87Confident82.6Confident5 Ų551 Ų513%0.02624%0.236CC..Hα-helixtrans-67.2-35176.4-71.1-177.1000113.3L256 V268 E269 A274 L305 F306 Y309 Y311L256-L272 HydrophobicContact CD1-CD2 4.26Å; L256-L272 HydrophobicContact CD1-CG 4.49Å; L256-L272 HydrophobicContact CD2-CD2 3.91Å; V268-L272 HydrophobicContact CG1-CD1 3.97Å; V268-L272 HydrophobicContact CG1-CG 4.14Å; V268-L272 WeakPolarHBondContact O-CB 3.24Å; V268-L272 VanDerWaalsContact O-CG 3.27Å; V268-L272 WeakPolarHBondContact O-CG 3.17Å; V268-L272 PolarHBondContact O-N 3.33Å; E269-L272 PolarHBondContact O-N 3.34Å; L272-A274 VanDerWaalsContact C-N 3.34Å; L272-L305 HydrophobicContact CD1-CD2 3.32Å; L272-F306 HydrophobicContact CD1-CD1 3.84Å; L272-F306 HydrophobicContact CD1-CE1 3.78Å; L272-F306 HydrophobicContact CD2-CD1 4.45Å; L272-F306 HydrophobicContact CD2-CE1 4.01Å; L272-F306 HydrophobicContact CG-CE1 4.28Å; L272-Y309 HydrophobicContact CB-CD1 4.48Å; L272-Y309 HydrophobicContact CB-CE1 4.27Å; L272-Y309 HydrophobicContact CD1-CD2 3.92Å; L272-Y309 HydrophobicContact CD1-CE2 4.13Å; L272-Y309 HydrophobicContact CD1-CG 4.15Å; L272-Y311 HydrophobicContact CD1-CE2 4.32Å; L272-Y311 HydrophobicContact CD2-CE2 3.63Å
273R86.6Confident81.7Confident120 Ų12046.5 Ų46.545%0.45322%0.216SC..Hα-helixtrans-70.2-33.4172.5-71.8178-175.3116.39111.4E269 I270 Y309 R472E269-R273 WeakPolarHBondContact O-CB 3.49Å; E269-R273 WeakPolarHBondContact O-CG 3.39Å; E269-R273 PolarHBondContact O-N 3.34Å; E269-R273 IonicContact OE2-CZ 2.75Å; E269-R273 IonicContact OE2-NH1 2.86Å; E269-R273 PolarHBondContact OE2-NH1 2.88Å; E269-R273 IonicContact OE2-NH2 3.39Å; E269-R273 PolarHBondContact OE2-NH2 3.34Å; I270-R273 PolarHBondContact O-N 2.92Å; R273-Y309 HydrophobicContact CG-CE1 4.5Å; R273-Y309 WeakPolarHBondContact CG-OH 3.41Å; R273-Y309 PolarHBondContact NE-OH 3.49Å; R273-R472 PolarHBondContact O-NH2 3.32Å
274A87.6Confident81Confident44 Ų4444 Ų4436%0.36420%0.203SC..Hα-helixtrans-77.1-47.7-178.200000114.3I237 L244 I270 L271 L272I237-A274 HydrophobicContact CB-CB 4.49Å; I237-A274 HydrophobicContact CD1-CB 4.09Å; I237-A274 HydrophobicContact CG1-CB 4.26Å; I237-A274 HydrophobicContact CG2-CB 3.48Å; I237-A274 VanDerWaalsContact CG2-CB 3.48Å; L244-A274 HydrophobicContact CD1-CB 3.96Å; I270-A274 VanDerWaalsContact O-CB 3.29Å; I270-A274 WeakPolarHBondContact O-CB 3.27Å; I270-A274 PolarHBondContact O-N 2.91Å; L271-A274 PolarHBondContact O-N 3.16Å; L272-A274 VanDerWaalsContact C-N 3.34Å
275G78.9Confident80.3Confident9 Ų946 Ų469%0.09322%0.217CC..  trans-105.3150.4-170.800000113.9L244 L271 W277L244-G275 VanDerWaalsContact CD1-CA 3.48Å; L271-G275 PolarHBondContact O-N 3.01Å; G275-W277 PolarHBondContact O-N 3.16Å
276N76Confident79.6Confident78 Ų7848.9 Ų48.942%0.41723%0.232SC..  trans-93.882.5171.4-166.1-8.9000109.1Y245 Y278 F471Y245-N276 PolarHBondContact OH-N 2.86Å; Y245-N276 PolarHBondContact OH-O 2.9Å; N276-Y278 WeakPolarHBondContact ND2-CE2 3.43Å; N276-Y278 PolarHBondContact O-N 3.03Å; N276-Y278 VanDerWaalsContact OD1-CE2 3.31Å; N276-Y278 WeakPolarHBondContact OD1-CE2 3.31Å; N276-F471 VanDerWaalsContact OD1-CD2 3.24Å; N276-F471 WeakPolarHBondContact OD1-CD2 3.44Å; N276-F471 VanDerWaalsContact OD1-CE2 3.29Å; N276-F471 WeakPolarHBondContact OD1-CE2 3.42Å
277W73.3Confident78.8Confident0 Ų043.9 Ų43.90%021%0.211CC..  trans-8057.5-167.4-62.294000114L244 Y245 T254 L256 L271 G275 I279 F290 Y311L244-W277 HydrophobicContact CB-CH2 4.06Å; L244-W277 HydrophobicContact CB-CZ2 4.03Å; L244-W277 WeakPolarHBondContact O-CH2 3.29Å; Y245-W277 HydrophobicContact CD1-CE3 4.02Å; Y245-W277 AromaticContact CD1-CZ3 3.93Å; Y245-W277 HydrophobicContact CD1-CZ3 3.93Å; Y245-W277 HydrophobicContact CE1-CD2 4.29Å; Y245-W277 AromaticContact CE1-CE3 3.98Å; Y245-W277 HydrophobicContact CE1-CE3 3.98Å; Y245-W277 HydrophobicContact CE1-CZ3 4.26Å; T254-W277 HydrophobicContact CG2-CZ3 4.15Å; T254-W277 VanDerWaalsContact OG1-CZ3 3.29Å; T254-W277 WeakPolarHBondContact OG1-CZ3 3.3Å; L256-W277 HydrophobicContact CB-CD2 4.3Å; L256-W277 HydrophobicContact CB-CE3 4.23Å; L256-W277 HydrophobicContact CB-CH2 3.69Å; L256-W277 HydrophobicContact CB-CZ2 3.78Å; L256-W277 HydrophobicContact CB-CZ3 3.95Å; L256-W277 HydrophobicContact CD2-CB 4.23Å; L256-W277 HydrophobicContact CD2-CD2 3.53Å; L256-W277 HydrophobicContact CD2-CE3 3.9Å; L256-W277 HydrophobicContact CD2-CG 3.7Å; L256-W277 HydrophobicContact CD2-CZ2 4.38Å; L256-W277 HydrophobicContact CD2-CZ3 4.48Å; L271-W277 HydrophobicContact CB-CZ2 4.3Å; L271-W277 HydrophobicContact CD2-CZ2 4.37Å; L271-W277 PolarHBondContact O-NE1 2.97Å; G275-W277 PolarHBondContact O-N 3.16Å; W277-I279 PolarHBondContact O-N 3.17Å; W277-F290 HydrophobicContact CB-CE1 4.1Å; W277-F290 HydrophobicContact CB-CZ 4.18Å; W277-Y311 HydrophobicContact CB-CE1 4.05Å; W277-Y311 WeakPolarHBondContact O-CE1 3.33Å
278Y63.5Low78.1Confident103 Ų10345.5 Ų45.540%0.40422%0.218SC..  trans-53.2116.8171-75.3-68.3000110.6N276 E280 N282 F471N276-Y278 WeakPolarHBondContact ND2-CE2 3.43Å; N276-Y278 PolarHBondContact O-N 3.03Å; N276-Y278 VanDerWaalsContact OD1-CE2 3.31Å; N276-Y278 WeakPolarHBondContact OD1-CE2 3.31Å; Y278-E280 PolarHBondContact O-N 3Å; Y278-E280 VanDerWaalsContact O-N 3.16Å; Y278-N282 PolarHBondContact O-ND2 2.72Å; Y278-F471 AromaticContact CD1-CE2 3.56Å; Y278-F471 HydrophobicContact CD1-CE2 3.56Å; Y278-F471 AromaticContact CD1-CZ 3.64Å; Y278-F471 HydrophobicContact CD1-CZ 3.64Å; Y278-F471 HydrophobicContact CD2-CE2 4.43Å; Y278-F471 AromaticContact CE1-CE2 3.62Å; Y278-F471 HydrophobicContact CE1-CE2 3.62Å; Y278-F471 AromaticContact CE1-CZ 3.91Å; Y278-F471 HydrophobicContact CE1-CZ 3.91Å; Y278-F471 AromaticContact CG-CE2 3.97Å; Y278-F471 HydrophobicContact CG-CE2 3.97Å; Y278-F471 HydrophobicContact CG-CZ 4.33Å
279I61.1Low77.7Confident6 Ų645.6 Ų45.63%0.03122%0.219CC..G310 helixtrans-64.2-22.9-172.3-71173.3000112W277 Y281 N282 Y283 F290 V291 Y311 D312W277-I279 PolarHBondContact O-N 3.17Å; I279-Y281 PolarHBondContact O-N 3.38Å; I279-N282 PolarHBondContact O-N 2.71Å; I279-Y283 WeakPolarHBondContact O-CE2 3.21Å; I279-F290 HydrophobicContact CD1-CE2 4.22Å; I279-F290 HydrophobicContact CD1-CZ 3.95Å; I279-F290 HydrophobicContact CG1-CE1 3.99Å; I279-F290 HydrophobicContact CG1-CE2 4.32Å; I279-F290 HydrophobicContact CG1-CZ 3.58Å; I279-V291 HydrophobicContact CD1-CG2 3.94Å; I279-Y311 HydrophobicContact CD1-CD1 3.85Å; I279-Y311 HydrophobicContact CD1-CG 4.49Å; I279-Y311 HydrophobicContact CG1-CD1 4.19Å; I279-D312 HydrophobicContact CD1-CB 4.19Å; I279-D312 WeakPolarHBondContact CD1-O 3.28Å
280E52.3Low77.3Confident74 Ų7443.7 Ų43.735%0.34621%0.21SC..G310 helixtrans-54.7-27.4-172.2-45.1-149119.400114.5Y278 R315 K318Y278-E280 PolarHBondContact O-N 3Å; Y278-E280 VanDerWaalsContact O-N 3.16Å; E280-R315 IonicContact OE1-CZ 3.87Å; E280-R315 IonicContact OE1-NH1 2.64Å; E280-R315 PolarHBondContact OE1-NH1 3.32Å; E280-R315 IonicContact OE1-NH2 2.71Å; E280-R315 PolarHBondContact OE1-NH2 3.05Å; E280-K318 PolarHBondContact O-NZ 3.4Å
281Y57.6Low76.9Confident171 Ų17142.2 Ų42.267%0.67120%0.203SC*.G310 helixtrans-124.83.9-178.9-50.4-76.8000113.5R247 I279 Y283R247-Y281 PolarHBondContact NH2-O 3.06Å; I279-Y281 PolarHBondContact O-N 3.38Å; Y281-Y283 PolarHBondContact O-N 3.42Å
282N67.4Low76.6Confident10 Ų1042.2 Ų42.25%0.05320%0.203CC..  trans-103.365.1-179.7-80.5-73000110.8Y278 I279 S289 F290Y278-N282 PolarHBondContact O-ND2 2.72Å; I279-N282 PolarHBondContact O-N 2.71Å; N282-S289 WeakPolarHBondContact O-CB 3.36Å; N282-F290 HydrophobicContact CB-CE1 4.27Å
283Y76.5Confident76.7Confident16 Ų1642 Ų426%0.06320%0.202CC..BIsolated β-bridgetrans-120.9132175.4-67.7-81.2000110.1R247 I279 Y281 G287 E288 R315 P316 K318R247-Y283 PolarHBondContact NH1-O 2.84Å; R247-Y283 PolarHBondContact NH2-O 3.21Å; I279-Y283 WeakPolarHBondContact O-CE2 3.21Å; Y281-Y283 PolarHBondContact O-N 3.42Å; Y283-G287 WeakPolarHBondContact CD1-O 3.25Å; Y283-E288 CarbonylContact C-O 3.53Å; Y283-E288 VanDerWaalsContact CA-O 3.3Å; Y283-E288 WeakPolarHBondContact CA-O 3.33Å; Y283-R315 WeakPolarHBondContact OH-CD 3.45Å; Y283-R315 WeakPolarHBondContact OH-CG 3.36Å; Y283-P316 WeakPolarHBondContact CE1-O 3.35Å; Y283-P316 PolarHBondContact OH-O 3.46Å; Y283-K318 HydrophobicContact CD2-CD 4Å; Y283-K318 HydrophobicContact CD2-CG 4.47Å; Y283-K318 HydrophobicContact CE1-CB 4.46Å; Y283-K318 HydrophobicContact CE1-CG 4.33Å; Y283-K318 HydrophobicContact CE2-CB 4.45Å; Y283-K318 HydrophobicContact CE2-CD 3.51Å; Y283-K318 HydrophobicContact CE2-CG 3.89Å
284N81.3Confident76.8Confident6 Ų636.3 Ų36.33%0.03218%0.18CC..  trans-77.4-175176.674.613000112.3T251 G252 D253 L286 G287 E288T251-N284 WeakPolarHBondContact O-CB 3.45Å; G252-N284 WeakPolarHBondContact O-CA 3.26Å; D253-N284 WeakPolarHBondContact OD1-CB 3.33Å; D253-N284 PolarHBondContact OD1-ND2 2.9Å; N284-L286 PolarHBondContact O-N 3.12Å; N284-L286 WeakPolarHBondContact OD1-CB 3.23Å; N284-L286 PolarHBondContact OD1-N 2.69Å; N284-G287 PolarHBondContact O-N 3.4Å; N284-E288 PolarHBondContact N-O 3.09Å; N284-E288 PolarHBondContact OD1-N 3.17Å; N284-E288 PolarHBondContact OD1-O 2.96Å
285N81.5Confident76.9Confident100 Ų10034.2 Ų34.254%0.53516%0.163SC..THydrogen-bonded Turntrans-66.4-16.1-175.1-65.3-12.3000113.8T251 G252 G287T251-N285 VanDerWaalsContact O-CB 3.22Å; T251-N285 WeakPolarHBondContact O-CB 3.29Å; T251-N285 PolarHBondContact O-N 2.81Å; G252-N285 WeakPolarHBondContact CA-OD1 3.49Å; G252-N285 PolarHBondContact N-ND2 3.37Å; N285-G287 VanDerWaalsContact C-N 3.28Å
286L79Confident77.3Confident101 Ų10134.7 Ų34.753%0.52917%0.166SC..THydrogen-bonded Turntrans-82.8-8.1173.2-61.2174.9000112.6N284 E288N284-L286 PolarHBondContact O-N 3.12Å; N284-L286 WeakPolarHBondContact OD1-CB 3.23Å; N284-L286 PolarHBondContact OD1-N 2.69Å; L286-E288 VanDerWaalsContact C-N 3.29Å; L286-E288 HydrophobicContact CB-CB 4.38Å; L286-E288 HydrophobicContact CB-CG 4.05Å; L286-E288 WeakPolarHBondContact CD1-OE2 3.3Å
287G78.1Confident77.9Confident6 Ų636.5 Ų36.56%0.06217%0.168CC..SBendtrans80.19.6-16700000113Y283 N284 N285 A317 K318Y283-G287 WeakPolarHBondContact CD1-O 3.25Å; N284-G287 PolarHBondContact O-N 3.4Å; N285-G287 VanDerWaalsContact C-N 3.28Å; G287-A317 CarbonylContact O-C 3.5Å; G287-A317 WeakPolarHBondContact O-CA 2.83Å; G287-A317 WeakPolarHBondContact O-CB 3.34Å; G287-K318 VanDerWaalsContact CA-O 3.25Å; G287-K318 WeakPolarHBondContact CA-O 3.44Å; G287-K318 PolarHBondContact O-N 3.25Å; G287-K318 VanDerWaalsContact O-N 3.09Å
288E80.8Confident78.8Confident35 Ų3540.3 Ų40.316%0.16419%0.188CC..  trans-91.7144.8-178-69.3-179.3145.100110.8Y283 N284 L286 H292 A317 M369Y283-E288 CarbonylContact C-O 3.53Å; Y283-E288 VanDerWaalsContact CA-O 3.3Å; Y283-E288 WeakPolarHBondContact CA-O 3.33Å; N284-E288 PolarHBondContact N-O 3.09Å; N284-E288 PolarHBondContact OD1-N 3.17Å; N284-E288 PolarHBondContact OD1-O 2.96Å; L286-E288 VanDerWaalsContact C-N 3.29Å; L286-E288 HydrophobicContact CB-CB 4.38Å; L286-E288 HydrophobicContact CB-CG 4.05Å; L286-E288 WeakPolarHBondContact CD1-OE2 3.3Å; E288-H292 HydrophobicContact CB-CB 3.9Å; E288-H292 HydrophobicContact CG-CB 4.18Å; E288-A317 HydrophobicContact CG-CB 4.38Å; E288-M369 WeakPolarHBondContact OE1-CE 3.37Å
289S84.9Confident80.1Confident2 Ų238.7 Ų38.71%0.01418%0.181CC..BIsolated β-bridgetrans-103167.5172.971.80000111.2N282 V291 H292 D293N282-S289 WeakPolarHBondContact O-CB 3.36Å; S289-V291 PolarHBondContact O-N 3.03Å; S289-H292 PolarHBondContact N-ND1 2.81Å; S289-H292 WeakPolarHBondContact O-CA 3.2Å; S289-H292 VanDerWaalsContact O-CB 3.24Å; S289-H292 WeakPolarHBondContact O-CB 3.05Å; S289-H292 PolarHBondContact O-N 2.96Å; S289-H292 PolarHBondContact OG-ND1 3.24Å; S289-D293 PolarHBondContact O-N 3.23Å; S289-D293 VanDerWaalsContact O-N 3.12Å
290F84.6Confident81.5Confident0 Ų040.8 Ų40.80%019%0.192CC..Hα-helixtrans-55.2-19.1176.159.2-104.6000114.9L256 H257 V260 W277 I279 N282 V294 F306 Y311L256-F290 HydrophobicContact CD2-CB 4.48Å; L256-F290 HydrophobicContact CD2-CD1 3.59Å; L256-F290 HydrophobicContact CD2-CD2 4.16Å; L256-F290 HydrophobicContact CD2-CE1 3.69Å; L256-F290 HydrophobicContact CD2-CE2 4.25Å; L256-F290 HydrophobicContact CD2-CG 3.83Å; L256-F290 HydrophobicContact CD2-CZ 4.01Å; L256-F290 HydrophobicContact CG-CB 4.27Å; L256-F290 HydrophobicContact CG-CD1 4.22Å; L256-F290 HydrophobicContact CG-CG 4.15Å; H257-F290 PolarHBondContact CD2-N 2.72Å; H257-F290 PolarHBondContact NE2-N 3.1Å; H257-F290 VanDerWaalsContact NE2-N 3.12Å; V260-F290 HydrophobicContact CG2-CB 4.33Å; W277-F290 HydrophobicContact CB-CE1 4.1Å; W277-F290 HydrophobicContact CB-CZ 4.18Å; I279-F290 HydrophobicContact CD1-CE2 4.22Å; I279-F290 HydrophobicContact CD1-CZ 3.95Å; I279-F290 HydrophobicContact CG1-CE1 3.99Å; I279-F290 HydrophobicContact CG1-CE2 4.32Å; I279-F290 HydrophobicContact CG1-CZ 3.58Å; N282-F290 HydrophobicContact CB-CE1 4.27Å; F290-V294 PolarHBondContact O-N 3.17Å; F290-V294 VanDerWaalsContact O-N 3.15Å; F290-F306 HydrophobicContact CD2-CD2 4.21Å; F290-F306 HydrophobicContact CD2-CE1 4.06Å; F290-F306 AromaticContact CD2-CE2 3.47Å; F290-F306 HydrophobicContact CD2-CE2 3.47Å; F290-F306 VanDerWaalsContact CD2-CE2 3.47Å; F290-F306 AromaticContact CD2-CZ 3.4Å; F290-F306 HydrophobicContact CD2-CZ 3.4Å; F290-F306 VanDerWaalsContact CD2-CZ 3.4Å; F290-F306 HydrophobicContact CE2-CD1 4.45Å; F290-F306 HydrophobicContact CE2-CD2 4.42Å; F290-F306 HydrophobicContact CE2-CE1 4.11Å; F290-F306 HydrophobicContact CE2-CE2 4.06Å; F290-F306 AromaticContact CE2-CZ 3.91Å; F290-F306 HydrophobicContact CE2-CZ 3.91Å; F290-F306 HydrophobicContact CG-CZ 4.31Å; F290-Y311 HydrophobicContact CE2-CD1 4.19Å; F290-Y311 HydrophobicContact CE2-CG 4.4Å; F290-Y311 AromaticContact CZ-CD1 3.92Å; F290-Y311 HydrophobicContact CZ-CD1 3.92Å; F290-Y311 AromaticContact CZ-CE1 3.97Å; F290-Y311 HydrophobicContact CZ-CE1 3.97Å
291V84.7Confident83.3Confident1 Ų142.9 Ų42.91%0.00620%0.202CC..Hα-helixtrans-74.5-38.7170.5-179.20000111.6I279 S289 D293 V294 V295 F306 L313 P366I279-V291 HydrophobicContact CD1-CG2 3.94Å; S289-V291 PolarHBondContact O-N 3.03Å; V291-D293 VanDerWaalsContact C-N 3.3Å; V291-V294 WeakPolarHBondContact O-CB 3.4Å; V291-V294 PolarHBondContact O-N 3.28Å; V291-V295 PolarHBondContact O-N 3.13Å; V291-V295 VanDerWaalsContact O-N 3.11Å; V291-F306 HydrophobicContact CG2-CD2 4.34Å; V291-L313 HydrophobicContact CB-CD2 4.39Å; V291-L313 HydrophobicContact CG1-CB 4.19Å; V291-L313 HydrophobicContact CG1-CD2 3.67Å; V291-L313 HydrophobicContact CG1-CG 4.47Å; V291-L313 HydrophobicContact CG2-CD2 3.74Å; V291-P366 HydrophobicContact CB-CG 4.48Å; V291-P366 HydrophobicContact CG1-CB 4.01Å; V291-P366 HydrophobicContact CG1-CG 3.84Å
292H86.1Confident84.9Confident0 Ų034.8 Ų34.80%017%0.17CC..Hα-helixtrans-63.5-39172.5-61.376.7000110.1E288 S289 V294 V295 A296 R315 A317 K364 M369E288-H292 HydrophobicContact CB-CB 3.9Å; E288-H292 HydrophobicContact CG-CB 4.18Å; S289-H292 PolarHBondContact N-ND1 2.81Å; S289-H292 WeakPolarHBondContact O-CA 3.2Å; S289-H292 VanDerWaalsContact O-CB 3.24Å; S289-H292 WeakPolarHBondContact O-CB 3.05Å; S289-H292 PolarHBondContact O-N 2.96Å; S289-H292 PolarHBondContact OG-ND1 3.24Å; H292-V294 PolarHBondContact O-N 3.17Å; H292-V295 PolarHBondContact O-N 2.97Å; H292-A296 WeakPolarHBondContact O-CB 3.01Å; H292-A296 PolarHBondContact O-N 3.3Å; H292-R315 PolarHBondContact CE1-O 3.45Å; H292-A317 PolarHBondContact NE2-N 3.09Å; H292-A317 VanDerWaalsContact NE2-N 3.13Å; H292-K364 PolarHBondContact NE2-O 3.43Å; H292-K364 VanDerWaalsContact NE2-O 3.16Å; H292-M369 HydrophobicContact CB-CE 4.09Å; H292-M369 HydrophobicContact CB-SD 4.04Å
293D88.3Confident85.8Confident1 Ų134.3 Ų34.31%0.00517%0.168CC..Hα-helixtrans-60.1-44.9172.3-67.9-31.8000112.3H257 V260 K261 S289 V291 V295 A296 Y297H257-D293 IonicContact CD2-OD2 3.43Å; H257-D293 PolarHBondContact CD2-OD2 2.99Å; H257-D293 IonicContact CG-OD2 2.65Å; V260-D293 HydrophobicContact CB-CB 4.4Å; V260-D293 HydrophobicContact CG1-CB 3.57Å; K261-D293 WeakPolarHBondContact CE-OD1 3.36Å; K261-D293 VanDerWaalsContact CE-OD2 3.23Å; K261-D293 WeakPolarHBondContact CE-OD2 3.42Å; K261-D293 HydrophobicContact CG-CB 4.12Å; K261-D293 IonicContact NZ-OD1 2.76Å; S289-D293 PolarHBondContact O-N 3.23Å; S289-D293 VanDerWaalsContact O-N 3.12Å; V291-D293 VanDerWaalsContact C-N 3.3Å; D293-V295 VanDerWaalsContact C-N 3.28Å; D293-V295 PolarHBondContact O-N 3.01Å; D293-A296 PolarHBondContact O-N 2.88Å; D293-Y297 HydrophobicContact CB-CD2 4.42Å; D293-Y297 WeakPolarHBondContact O-CD2 3.25Å; D293-Y297 PolarHBondContact O-N 3.48Å
294V90.3Very high86.3Confident0 Ų040.2 Ų40.20%019%0.19CC..Hα-helixtrans-56.1-43.6175.6156.70000111.6V260 F290 V291 H292 N298 R299 L302 L303 F306 M378V260-V294 HydrophobicContact CG1-CB 4.36Å; V260-V294 HydrophobicContact CG1-CG2 3.49Å; V260-V294 VanDerWaalsContact CG1-CG2 3.49Å; V260-V294 HydrophobicContact CG2-CG2 4.44Å; F290-V294 PolarHBondContact O-N 3.17Å; F290-V294 VanDerWaalsContact O-N 3.15Å; V291-V294 WeakPolarHBondContact O-CB 3.4Å; V291-V294 PolarHBondContact O-N 3.28Å; H292-V294 PolarHBondContact O-N 3.17Å; V294-N298 PolarHBondContact O-N 3Å; V294-R299 HydrophobicContact CB-CB 4.47Å; V294-R299 HydrophobicContact CG1-CB 4.35Å; V294-R299 HydrophobicContact CG2-CB 4.23Å; V294-R299 PolarHBondContact O-N 3.16Å; V294-L302 HydrophobicContact CG2-CB 3.51Å; V294-L302 HydrophobicContact CG2-CD1 4.26Å; V294-L303 HydrophobicContact CG1-CB 3.66Å; V294-L303 HydrophobicContact CG1-CD1 4.14Å; V294-L303 HydrophobicContact CG1-CG 4.49Å; V294-F306 HydrophobicContact CB-CE2 4.32Å; V294-F306 HydrophobicContact CG2-CD2 3.81Å; V294-F306 HydrophobicContact CG2-CE2 3.34Å; V294-F306 HydrophobicContact CG2-CZ 4.3Å; V294-M378 HydrophobicContact CG1-CE 3.63Å; V294-M378 VanDerWaalsContact O-CE 3.25Å; V294-M378 WeakPolarHBondContact O-CE 3.39Å
295V87.9Confident86.5Confident0 Ų041.1 Ų41.10%020%0.195CC..Hα-helixtrans-71.7-42.8176.4175.40000111.6V291 H292 D293 Y297 N298 P366 M369 A370 H375 L382V291-V295 PolarHBondContact O-N 3.13Å; V291-V295 VanDerWaalsContact O-N 3.11Å; H292-V295 PolarHBondContact O-N 2.97Å; D293-V295 VanDerWaalsContact C-N 3.28Å; D293-V295 PolarHBondContact O-N 3.01Å; V295-Y297 PolarHBondContact O-N 3.41Å; V295-N298 PolarHBondContact O-N 3.26Å; V295-P366 HydrophobicContact CG2-CB 3.93Å; V295-M369 HydrophobicContact CB-SD 4.33Å; V295-M369 HydrophobicContact CG1-CB 4.09Å; V295-M369 HydrophobicContact CG1-CG 3.89Å; V295-M369 HydrophobicContact CG1-SD 4.26Å; V295-A370 HydrophobicContact CG1-CB 3.67Å; V295-H375 PolarHBondContact O-CE1 2.75Å; V295-H375 PolarHBondContact O-ND1 3.34Å; V295-L382 HydrophobicContact CG2-CD1 3.95Å
296A87.7Confident86.6Confident19 Ų1936.3 Ų36.316%0.15717%0.169CC..Hα-helixtrans-62.1-40.7-177.100000112.7H292 D293 M369 R373H292-A296 WeakPolarHBondContact O-CB 3.01Å; H292-A296 PolarHBondContact O-N 3.3Å; D293-A296 PolarHBondContact O-N 2.88Å; A296-M369 HydrophobicContact CB-SD 4.35Å; A296-R373 VanDerWaalsContact CB-NH1 3.29Å
297Y90Very high86.5Confident115 Ų11533.2 Ų33.245%0.45115%0.153SC..THydrogen-bonded Turntrans-99.613.3-179.6-63.1-81.4000113.6K261 D293 V295 R299K261-Y297 HydrophobicContact CB-CD2 4.39Å; K261-Y297 HydrophobicContact CB-CE2 4.18Å; K261-Y297 HydrophobicContact CD-CE2 4.01Å; K261-Y297 HydrophobicContact CG-CD2 3.99Å; K261-Y297 HydrophobicContact CG-CE2 3.58Å; D293-Y297 HydrophobicContact CB-CD2 4.42Å; D293-Y297 WeakPolarHBondContact O-CD2 3.25Å; D293-Y297 PolarHBondContact O-N 3.48Å; V295-Y297 PolarHBondContact O-N 3.41Å; Y297-R299 VanDerWaalsContact O-CD 3.23Å; Y297-R299 WeakPolarHBondContact O-CD 3.45Å; Y297-R299 PolarHBondContact O-N 3.44Å; Y297-R299 PolarHBondContact O-NE 3.34Å; Y297-R299 PolarHBondContact O-NH1 2.93Å
298N90.6Very high86.5Confident80 Ų8036.5 Ų36.543%0.42818%0.18SC..THydrogen-bonded Turntrans50.847.9178-157.911.5000114.8V294 V295 L300 M378V294-N298 PolarHBondContact O-N 3Å; V295-N298 PolarHBondContact O-N 3.26Å; N298-L300 PolarHBondContact O-N 3.27Å; N298-L300 VanDerWaalsContact O-N 3.14Å; N298-M378 VanDerWaalsContact OD1-CG 3.3Å; N298-M378 WeakPolarHBondContact OD1-CG 3.41Å
299R92.7Very high86.3Confident69 Ų6936.8 Ų36.826%0.2618%0.179SC..  trans-88.268.7-175-52-52.5-167.7-159.97.2112.2K261 N263 V294 Y297 E301 L302 L303K261-R299 PolarHBondContact O-NH2 3.28Å; N263-R299 WeakPolarHBondContact OD1-CD 3.4Å; V294-R299 HydrophobicContact CB-CB 4.47Å; V294-R299 HydrophobicContact CG1-CB 4.35Å; V294-R299 HydrophobicContact CG2-CB 4.23Å; V294-R299 PolarHBondContact O-N 3.16Å; Y297-R299 VanDerWaalsContact O-CD 3.23Å; Y297-R299 WeakPolarHBondContact O-CD 3.45Å; Y297-R299 PolarHBondContact O-N 3.44Å; Y297-R299 PolarHBondContact O-NE 3.34Å; Y297-R299 PolarHBondContact O-NH1 2.93Å; R299-E301 VanDerWaalsContact C-N 3.29Å; R299-E301 PolarHBondContact O-N 3Å; R299-E301 VanDerWaalsContact O-N 3.17Å; R299-L302 HydrophobicContact CB-CB 3.88Å; R299-L302 HydrophobicContact CB-CD1 3.86Å; R299-L302 HydrophobicContact CB-CG 4.05Å; R299-L302 HydrophobicContact CG-CD1 4.16Å; R299-L302 WeakPolarHBondContact O-CA 3.38Å; R299-L302 WeakPolarHBondContact O-CB 3.46Å; R299-L302 PolarHBondContact O-N 3.26Å; R299-L303 PolarHBondContact O-N 3.08Å
300L88.6Confident85.5Confident50 Ų5037.2 Ų37.226%0.26218%0.181SC..Hα-helixtrans-50.6-41.8-173.2-175.165.5000114.5N298 L303 R304 D377 M378 I381N298-L300 PolarHBondContact O-N 3.27Å; N298-L300 VanDerWaalsContact O-N 3.14Å; L300-L303 WeakPolarHBondContact O-CB 3.38Å; L300-L303 PolarHBondContact O-N 2.77Å; L300-R304 PolarHBondContact O-N 2.92Å; L300-R304 VanDerWaalsContact O-N 3.15Å; L300-D377 HydrophobicContact CD1-CB 4.32Å; L300-M378 HydrophobicContact CB-SD 4.1Å; L300-M378 HydrophobicContact CD1-SD 3.58Å; L300-M378 VanDerWaalsContact CD1-SD 3.58Å; L300-M378 HydrophobicContact CG-SD 4.46Å; L300-I381 HydrophobicContact CD1-CD1 3.6Å
301E90.3Very high84.9Confident119 Ų11937.3 Ų37.356%0.55618%0.182SC*.Hα-helixtrans-69.2-36.7178.1-61.3-165.7126.900112.5I265 R299 L303 R304 L305I265-E301 HydrophobicContact CD1-CB 4.09Å; I265-E301 WeakPolarHBondContact CD1-OE2 3.41Å; R299-E301 VanDerWaalsContact C-N 3.29Å; R299-E301 PolarHBondContact O-N 3Å; R299-E301 VanDerWaalsContact O-N 3.17Å; E301-L303 VanDerWaalsContact C-N 3.33Å; E301-L303 PolarHBondContact O-N 3.24Å; E301-R304 PolarHBondContact O-N 2.92Å; E301-L305 VanDerWaalsContact O-CB 3.28Å; E301-L305 WeakPolarHBondContact O-CB 3.32Å; E301-L305 PolarHBondContact O-N 2.69Å
302L91Very high84Confident0 Ų038.8 Ų38.80%019%0.19CC..Hα-helixtrans-68.9-30.5174.3-64.3-176.3000112.2V260 I265 V268 V294 R299 L305 F306V260-L302 HydrophobicContact CB-CD1 4.25Å; V260-L302 HydrophobicContact CG1-CD1 4.09Å; V260-L302 HydrophobicContact CG2-CD1 4.18Å; I265-L302 HydrophobicContact CB-CD2 4.23Å; I265-L302 HydrophobicContact CG1-CD2 3.87Å; I265-L302 HydrophobicContact CG1-CG 4.41Å; I265-L302 HydrophobicContact CG2-CD2 4.18Å; V268-L302 HydrophobicContact CB-CD2 4.08Å; V268-L302 HydrophobicContact CG1-CD2 4.05Å; V268-L302 HydrophobicContact CG2-CD1 4.31Å; V268-L302 HydrophobicContact CG2-CD2 4.06Å; V294-L302 HydrophobicContact CG2-CB 3.51Å; V294-L302 HydrophobicContact CG2-CD1 4.26Å; R299-L302 HydrophobicContact CB-CB 3.88Å; R299-L302 HydrophobicContact CB-CD1 3.86Å; R299-L302 HydrophobicContact CB-CG 4.05Å; R299-L302 HydrophobicContact CG-CD1 4.16Å; R299-L302 WeakPolarHBondContact O-CA 3.38Å; R299-L302 WeakPolarHBondContact O-CB 3.46Å; R299-L302 PolarHBondContact O-N 3.26Å; L302-L305 HydrophobicContact CD2-CD1 4.28Å; L302-L305 PolarHBondContact O-N 2.94Å; L302-F306 WeakPolarHBondContact O-CB 3.21Å; L302-F306 WeakPolarHBondContact O-CD2 3.32Å; L302-F306 WeakPolarHBondContact O-CG 3.45Å; L302-F306 PolarHBondContact O-N 3.08Å
303L87.5Confident83.4Confident0 Ų038.8 Ų38.80%019%0.19CC..Hα-helixtrans-63.5-48.6170.8-174.464.5000111V294 R299 L300 E301 L305 F306 L307 L313 M378 I381 L382V294-L303 HydrophobicContact CG1-CB 3.66Å; V294-L303 HydrophobicContact CG1-CD1 4.14Å; V294-L303 HydrophobicContact CG1-CG 4.49Å; R299-L303 PolarHBondContact O-N 3.08Å; L300-L303 WeakPolarHBondContact O-CB 3.38Å; L300-L303 PolarHBondContact O-N 2.77Å; E301-L303 VanDerWaalsContact C-N 3.33Å; E301-L303 PolarHBondContact O-N 3.24Å; L303-L305 VanDerWaalsContact C-N 3.28Å; L303-L305 PolarHBondContact O-N 3.26Å; L303-F306 PolarHBondContact O-N 3.21Å; L303-L307 HydrophobicContact CG-CD1 4.48Å; L303-L307 WeakPolarHBondContact O-CG 3.16Å; L303-L307 PolarHBondContact O-N 2.9Å; L303-L313 HydrophobicContact CD1-CD1 3.81Å; L303-M378 HydrophobicContact CB-CE 3.98Å; L303-M378 HydrophobicContact CB-SD 4.04Å; L303-M378 HydrophobicContact CD2-CB 4.27Å; L303-M378 HydrophobicContact CD2-CE 4.15Å; L303-M378 HydrophobicContact CD2-SD 3.49Å; L303-M378 WeakPolarHBondContact CD2-SD 3.36Å; L303-M378 HydrophobicContact CG-SD 4.39Å; L303-I381 HydrophobicContact CD2-CB 4.08Å; L303-I381 HydrophobicContact CD2-CG2 3.71Å; L303-I381 HydrophobicContact CG-CG2 4.22Å; L303-L382 HydrophobicContact CD1-CD2 4.06Å; L303-L382 HydrophobicContact CD1-CG 4.49Å; L303-L382 HydrophobicContact CD2-CG 4.31Å
304R86.3Confident82.2Confident140 Ų14039.2 Ų39.253%0.52819%0.192SC..Hα-helixtrans-60.8-37.5175.5-68.6174.7176.4176.4-1.5112L300 E301 L307 A308L300-R304 PolarHBondContact O-N 2.92Å; L300-R304 VanDerWaalsContact O-N 3.15Å; E301-R304 PolarHBondContact O-N 2.92Å; R304-L307 WeakPolarHBondContact O-CB 3.49Å; R304-L307 PolarHBondContact O-N 3.22Å; R304-A308 PolarHBondContact O-N 2.78Å
305L85.5Confident81.1Confident25 Ų2542.7 Ų42.713%0.13121%0.205CC..Hα-helixtrans-67.3-47.6177.1-164.2159.3000111.3I265 V268 E269 L272 E301 L302 L303 L307 A308 Y309I265-L305 HydrophobicContact CG2-CD1 3.72Å; V268-L305 HydrophobicContact CG1-CD2 4.34Å; E269-L305 HydrophobicContact CG-CD1 3.84Å; L272-L305 HydrophobicContact CD1-CD2 3.32Å; E301-L305 VanDerWaalsContact O-CB 3.28Å; E301-L305 WeakPolarHBondContact O-CB 3.32Å; E301-L305 PolarHBondContact O-N 2.69Å; L302-L305 HydrophobicContact CD2-CD1 4.28Å; L302-L305 PolarHBondContact O-N 2.94Å; L303-L305 VanDerWaalsContact C-N 3.28Å; L303-L305 PolarHBondContact O-N 3.26Å; L305-L307 VanDerWaalsContact C-N 3.26Å; L305-L307 PolarHBondContact O-N 3.12Å; L305-A308 WeakPolarHBondContact O-CB 3.36Å; L305-A308 PolarHBondContact O-N 2.95Å; L305-A308 VanDerWaalsContact O-N 3.09Å; L305-Y309 HydrophobicContact CD2-CD2 3.74Å; L305-Y309 HydrophobicContact CD2-CE2 3.78Å; L305-Y309 HydrophobicContact CG-CE2 4.45Å; L305-Y309 WeakPolarHBondContact O-CD2 3.24Å; L305-Y309 PolarHBondContact O-N 2.83Å
306F83.4Confident79.8Confident0 Ų044 Ų440%021%0.214CC..Hα-helixtrans-63.6-30.5174.5-69.1-26.2000113V260 V268 L272 F290 V291 V294 L302 L303 Y309 N310 Y311 L313V260-F306 HydrophobicContact CG2-CE2 4.16Å; V260-F306 HydrophobicContact CG2-CZ 3.65Å; V268-F306 HydrophobicContact CG1-CE1 3.8Å; V268-F306 HydrophobicContact CG1-CZ 4.22Å; L272-F306 HydrophobicContact CD1-CD1 3.84Å; L272-F306 HydrophobicContact CD1-CE1 3.78Å; L272-F306 HydrophobicContact CD2-CD1 4.45Å; L272-F306 HydrophobicContact CD2-CE1 4.01Å; L272-F306 HydrophobicContact CG-CE1 4.28Å; F290-F306 HydrophobicContact CD2-CD2 4.21Å; F290-F306 HydrophobicContact CD2-CE1 4.06Å; F290-F306 AromaticContact CD2-CE2 3.47Å; F290-F306 HydrophobicContact CD2-CE2 3.47Å; F290-F306 VanDerWaalsContact CD2-CE2 3.47Å; F290-F306 AromaticContact CD2-CZ 3.4Å; F290-F306 HydrophobicContact CD2-CZ 3.4Å; F290-F306 VanDerWaalsContact CD2-CZ 3.4Å; F290-F306 HydrophobicContact CE2-CD1 4.45Å; F290-F306 HydrophobicContact CE2-CD2 4.42Å; F290-F306 HydrophobicContact CE2-CE1 4.11Å; F290-F306 HydrophobicContact CE2-CE2 4.06Å; F290-F306 AromaticContact CE2-CZ 3.91Å; F290-F306 HydrophobicContact CE2-CZ 3.91Å; F290-F306 HydrophobicContact CG-CZ 4.31Å; V291-F306 HydrophobicContact CG2-CD2 4.34Å; V294-F306 HydrophobicContact CB-CE2 4.32Å; V294-F306 HydrophobicContact CG2-CD2 3.81Å; V294-F306 HydrophobicContact CG2-CE2 3.34Å; V294-F306 HydrophobicContact CG2-CZ 4.3Å; L302-F306 WeakPolarHBondContact O-CB 3.21Å; L302-F306 WeakPolarHBondContact O-CD2 3.32Å; L302-F306 WeakPolarHBondContact O-CG 3.45Å; L302-F306 PolarHBondContact O-N 3.08Å; L303-F306 PolarHBondContact O-N 3.21Å; F306-Y309 CarbonylContact O-C 3.5Å; F306-N310 PolarHBondContact O-N 2.96Å; F306-Y311 HydrophobicContact CB-CD2 4.32Å; F306-Y311 HydrophobicContact CD1-CD2 4.12Å; F306-Y311 PolarHBondContact O-N 3.16Å; F306-L313 HydrophobicContact CB-CD2 4.32Å
307L78.3Confident78.6Confident36 Ų3643.5 Ų43.519%0.18821%0.21CC..Hα-helixtrans-65.3-42.5169.3-76.3169.1000112.7L303 R304 L305 Y309 N310 L313 I381 V385L303-L307 HydrophobicContact CG-CD1 4.48Å; L303-L307 WeakPolarHBondContact O-CG 3.16Å; L303-L307 PolarHBondContact O-N 2.9Å; R304-L307 WeakPolarHBondContact O-CB 3.49Å; R304-L307 PolarHBondContact O-N 3.22Å; L305-L307 VanDerWaalsContact C-N 3.26Å; L305-L307 PolarHBondContact O-N 3.12Å; L307-Y309 VanDerWaalsContact C-N 3.32Å; L307-Y309 PolarHBondContact O-N 3.29Å; L307-N310 WeakPolarHBondContact O-CA 3.33Å; L307-N310 PolarHBondContact O-N 3.13Å; L307-L313 HydrophobicContact CD2-CD1 3.46Å; L307-L313 VanDerWaalsContact CD2-CD1 3.46Å; L307-L313 HydrophobicContact CG-CD1 3.79Å; L307-I381 HydrophobicContact CD1-CG2 3.44Å; L307-I381 VanDerWaalsContact CD1-CG2 3.44Å; L307-V385 HydrophobicContact CD1-CG2 4.06Å; L307-V385 HydrophobicContact CD2-CB 4.32Å; L307-V385 HydrophobicContact CD2-CG1 3.86Å; L307-V385 HydrophobicContact CD2-CG2 3.47Å; L307-V385 VanDerWaalsContact CD2-CG2 3.47Å; L307-V385 HydrophobicContact CG-CG2 4.44Å
308A78Confident77.1Confident75 Ų7542.3 Ų42.362%0.6221%0.207SC*.Hα-helixtrans-64.5-34.2176.800000112.9R304 L305 N310R304-A308 PolarHBondContact O-N 2.78Å; L305-A308 WeakPolarHBondContact O-CB 3.36Å; L305-A308 PolarHBondContact O-N 2.95Å; L305-A308 VanDerWaalsContact O-N 3.09Å; A308-N310 PolarHBondContact O-N 3.15Å
309Y75.3Confident75.1Confident41 Ų4145.7 Ų45.716%0.16121%0.213CC..THydrogen-bonded Turntrans-84.310.9169.6-75-96.8000113.6L272 R273 L305 F306 L307 Y311L272-Y309 HydrophobicContact CB-CD1 4.48Å; L272-Y309 HydrophobicContact CB-CE1 4.27Å; L272-Y309 HydrophobicContact CD1-CD2 3.92Å; L272-Y309 HydrophobicContact CD1-CE2 4.13Å; L272-Y309 HydrophobicContact CD1-CG 4.15Å; R273-Y309 HydrophobicContact CG-CE1 4.5Å; R273-Y309 WeakPolarHBondContact CG-OH 3.41Å; R273-Y309 PolarHBondContact NE-OH 3.49Å; L305-Y309 HydrophobicContact CD2-CD2 3.74Å; L305-Y309 HydrophobicContact CD2-CE2 3.78Å; L305-Y309 HydrophobicContact CG-CE2 4.45Å; L305-Y309 WeakPolarHBondContact O-CD2 3.24Å; L305-Y309 PolarHBondContact O-N 2.83Å; F306-Y309 CarbonylContact O-C 3.5Å; L307-Y309 VanDerWaalsContact C-N 3.32Å; L307-Y309 PolarHBondContact O-N 3.29Å; Y309-Y311 VanDerWaalsContact C-N 3.32Å; Y309-Y311 HydrophobicContact CG-CE2 4.38Å; Y309-Y311 PolarHBondContact O-N 3.1Å
310N68.6Low72.3Confident10 Ų1050.1 Ų50.15%0.05324%0.241CC..THydrogen-bonded Turntrans53.637.1176.1-168.621.3000115.2F306 L307 A308 R462 R466 L473F306-N310 PolarHBondContact O-N 2.96Å; L307-N310 WeakPolarHBondContact O-CA 3.33Å; L307-N310 PolarHBondContact O-N 3.13Å; A308-N310 PolarHBondContact O-N 3.15Å; N310-R462 VanDerWaalsContact OD1-CG 3.26Å; N310-R462 WeakPolarHBondContact OD1-CG 3.3Å; N310-R466 PolarHBondContact O-NE 3.38Å; N310-R466 PolarHBondContact O-NH2 2.95Å; N310-L473 HydrophobicContact CB-CD1 4.31Å
311Y71.3Confident69.5Low2 Ų252.3 Ų52.31%0.00826%0.259CS..  trans-68.1159176.7-82-77.7000113.5L272 W277 I279 F290 F306 Y309 R466 F471L272-Y311 HydrophobicContact CD1-CE2 4.32Å; L272-Y311 HydrophobicContact CD2-CE2 3.63Å; W277-Y311 HydrophobicContact CB-CE1 4.05Å; W277-Y311 WeakPolarHBondContact O-CE1 3.33Å; I279-Y311 HydrophobicContact CD1-CD1 3.85Å; I279-Y311 HydrophobicContact CD1-CG 4.49Å; I279-Y311 HydrophobicContact CG1-CD1 4.19Å; F290-Y311 HydrophobicContact CE2-CD1 4.19Å; F290-Y311 HydrophobicContact CE2-CG 4.4Å; F290-Y311 AromaticContact CZ-CD1 3.92Å; F290-Y311 HydrophobicContact CZ-CD1 3.92Å; F290-Y311 AromaticContact CZ-CE1 3.97Å; F290-Y311 HydrophobicContact CZ-CE1 3.97Å; F306-Y311 HydrophobicContact CB-CD2 4.32Å; F306-Y311 HydrophobicContact CD1-CD2 4.12Å; F306-Y311 PolarHBondContact O-N 3.16Å; Y309-Y311 VanDerWaalsContact C-N 3.32Å; Y309-Y311 HydrophobicContact CG-CE2 4.38Å; Y309-Y311 PolarHBondContact O-N 3.1Å; Y311-R466 VanDerWaalsContact C-NH2 3.29Å; Y311-R466 PolarHBondContact O-NH2 2.9Å; Y311-F471 AromaticContact CD1-CD1 3.74Å; Y311-F471 HydrophobicContact CD1-CD1 3.74Å; Y311-F471 AromaticContact CD1-CE1 3.48Å; Y311-F471 HydrophobicContact CD1-CE1 3.48Å; Y311-F471 VanDerWaalsContact CD1-CE1 3.48Å; Y311-F471 HydrophobicContact CD1-CZ 4.15Å; Y311-F471 HydrophobicContact CD2-CD1 4.43Å; Y311-F471 AromaticContact CE1-CD1 3.49Å; Y311-F471 HydrophobicContact CE1-CD1 3.49Å; Y311-F471 VanDerWaalsContact CE1-CD1 3.49Å; Y311-F471 HydrophobicContact CE1-CD2 4.24Å; Y311-F471 AromaticContact CE1-CE1 3.43Å; Y311-F471 HydrophobicContact CE1-CE1 3.43Å; Y311-F471 VanDerWaalsContact CE1-CE1 3.43Å; Y311-F471 HydrophobicContact CE1-CE2 4.19Å; Y311-F471 AromaticContact CE1-CG 3.92Å; Y311-F471 HydrophobicContact CE1-CG 3.92Å; Y311-F471 AromaticContact CE1-CZ 3.81Å; Y311-F471 HydrophobicContact CE1-CZ 3.81Å; Y311-F471 HydrophobicContact CE2-CD1 4.23Å; Y311-F471 HydrophobicContact CE2-CG 4.5Å; Y311-F471 HydrophobicContact CG-CD1 4.2Å; Y311-F471 HydrophobicContact CG-CE1 4.25Å; Y311-F471 AromaticContact CZ-CD1 3.74Å; Y311-F471 AromaticContact CZ-CG 3.85Å
312D66.7Low66.7Low33 Ų3352.6 Ų52.618%0.17627%0.271CS..  trans-88.1104.9-177.5-161.139.9000110.3I279 R315 R466I279-D312 HydrophobicContact CD1-CB 4.19Å; I279-D312 WeakPolarHBondContact CD1-O 3.28Å; D312-R315 IonicContact OD2-NH1 3.2Å; D312-R466 VanDerWaalsContact CG-NH1 3.34Å; D312-R466 IonicContact OD1-CZ 2.72Å; D312-R466 IonicContact OD1-NH1 3.59Å; D312-R466 PolarHBondContact OD1-NH1 2.9Å; D312-R466 IonicContact OD1-NH2 2.73Å
313L72.6Confident63.7Low0 Ų058.9 Ų58.90%030%0.304CS..  trans-100.6-11.6-168.5-47.8-174.8000113.7V291 L303 F306 L307 P366 L382 V385V291-L313 HydrophobicContact CB-CD2 4.39Å; V291-L313 HydrophobicContact CG1-CB 4.19Å; V291-L313 HydrophobicContact CG1-CD2 3.67Å; V291-L313 HydrophobicContact CG1-CG 4.47Å; V291-L313 HydrophobicContact CG2-CD2 3.74Å; L303-L313 HydrophobicContact CD1-CD1 3.81Å; F306-L313 HydrophobicContact CB-CD2 4.32Å; L307-L313 HydrophobicContact CD2-CD1 3.46Å; L307-L313 VanDerWaalsContact CD2-CD1 3.46Å; L307-L313 HydrophobicContact CG-CD1 3.79Å; L313-P366 WeakPolarHBondContact O-CB 3.34Å; L313-P366 VanDerWaalsContact O-CD 3.26Å; L313-P366 WeakPolarHBondContact O-CD 3.2Å; L313-P366 WeakPolarHBondContact O-CG 3.16Å; L313-L382 HydrophobicContact CB-CD2 3.71Å; L313-L382 HydrophobicContact CD1-CD2 3.81Å; L313-L382 HydrophobicContact CG-CD2 4.43Å; L313-V385 HydrophobicContact CD1-CG1 4.44Å
314D62.9Low60.9Low10 Ų1066.4 Ų66.45%0.05334%0.343CS..SBendtrans-72.8-32.3-179.8-57.259.3000112.9S365 C387 K459D314-S365 WeakPolarHBondContact O-CB 3.42Å; D314-C387 WeakPolarHBondContact OD2-CA 3.47Å; D314-K459 VanDerWaalsContact OD2-CD 3.23Å; D314-K459 WeakPolarHBondContact OD2-CD 3.32Å; D314-K459 WeakPolarHBondContact OD2-CE 3.41Å; D314-K459 IonicContact OD2-NZ 3.95Å; D314-K459 PolarHBondContact OD2-NZ 3.07Å
315R67.6Low58.4Low73 Ų7366.3 Ų66.328%0.27535%0.348SS..  trans-70.4123.4-157-157.8177.8-161.4137.3-9.1110.6E280 Y283 H292 D312E280-R315 IonicContact OE1-CZ 3.87Å; E280-R315 IonicContact OE1-NH1 2.64Å; E280-R315 PolarHBondContact OE1-NH1 3.32Å; E280-R315 IonicContact OE1-NH2 2.71Å; E280-R315 PolarHBondContact OE1-NH2 3.05Å; Y283-R315 WeakPolarHBondContact OH-CD 3.45Å; Y283-R315 WeakPolarHBondContact OH-CG 3.36Å; H292-R315 PolarHBondContact CE1-O 3.45Å; D312-R315 IonicContact OD2-NH1 3.2Å
316P60.3Low55.6Low27 Ų2771.8 Ų71.818%0.17538%0.377CS..  trans-70.9164.1-173.828-35000113.4Y283 K318 E363 K364Y283-P316 WeakPolarHBondContact CE1-O 3.35Å; Y283-P316 PolarHBondContact OH-O 3.46Å; P316-K318 PolarHBondContact O-N 3.44Å; P316-E363 HydrophobicContact CB-CB 3.72Å; P316-E363 HydrophobicContact CB-CG 4.38Å; P316-E363 HydrophobicContact CG-CB 4.05Å; P316-E363 HydrophobicContact CG-CG 4.39Å; P316-E363 WeakPolarHBondContact CG-OE2 3.26Å; P316-K364 VanDerWaalsContact CA-O 3.28Å; P316-K364 WeakPolarHBondContact CA-O 3.23Å
317A62.2Low52.9Low9 Ų978.3 Ų78.37%0.07441%0.411CS..  trans-63.8114.1169.400000110.8G287 E288 H292 R319 K364G287-A317 CarbonylContact O-C 3.5Å; G287-A317 WeakPolarHBondContact O-CA 2.83Å; G287-A317 WeakPolarHBondContact O-CB 3.34Å; E288-A317 HydrophobicContact CG-CB 4.38Å; H292-A317 PolarHBondContact NE2-N 3.09Å; H292-A317 VanDerWaalsContact NE2-N 3.13Å; A317-R319 PolarHBondContact O-N 2.87Å; A317-K364 PolarHBondContact N-O 2.99Å
318K58.6Low50.4Low90 Ų9081.3 Ų81.339%0.39143%0.431SS..  trans-75.4105.9179.3-75.4-178.1-175.8174.40110.3E280 Y283 G287 P316E280-K318 PolarHBondContact O-NZ 3.4Å; Y283-K318 HydrophobicContact CD2-CD 4Å; Y283-K318 HydrophobicContact CD2-CG 4.47Å; Y283-K318 HydrophobicContact CE1-CB 4.46Å; Y283-K318 HydrophobicContact CE1-CG 4.33Å; Y283-K318 HydrophobicContact CE2-CB 4.45Å; Y283-K318 HydrophobicContact CE2-CD 3.51Å; Y283-K318 HydrophobicContact CE2-CG 3.89Å; G287-K318 VanDerWaalsContact CA-O 3.25Å; G287-K318 WeakPolarHBondContact CA-O 3.44Å; G287-K318 PolarHBondContact O-N 3.25Å; G287-K318 VanDerWaalsContact O-N 3.09Å; P316-K318 PolarHBondContact O-N 3.44Å
319R48.7Very low48Very low150 Ų15083.6 Ų83.657%0.56644%0.442SS*.  trans-93.6114.8162.8-80.6-172.4170.5-172.5-3.4110.7A317A317-R319 PolarHBondContact O-N 2.87Å
320L35.4Very low45.7Very low162 Ų16286 Ų8685%0.84847%0.465SS*.  trans-62.5145.3154.9-77.5155.5000108.7
321P29Very low43.7Very low96 Ų9691.6 Ų91.662%0.62350%0.495SS*.  trans-63.8149.5178.227.4-34.5000110.7N323P321-N323 PolarHBondContact O-N 3.42Å
322P32.3Very low41.6Very low125 Ų12599 Ų9981%0.81253%0.534SS*.SBendtrans-75.871.7-174.232.4-36.9000111.8
323N26.8Very low39.6Very low132 Ų132106.8 Ų106.871%0.70657%0.569SS**  trans-143.224.6-177.2-100.6-24.6000115.2P321P321-N323 PolarHBondContact O-N 3.42Å
324I29.6Very low37.2Very low158 Ų158111.7 Ų111.781%0.8160%0.603SS**SBendtrans-132.781.7148-63.390.7000107.7
325H33Very low35.4Very low138 Ų138118.9 Ų118.964%0.63964%0.64SS**  trans-172.765.6148.9-105.2-57.1000111.4T328H325-T328 VanDerWaalsContact CE1-CG2 3.45Å; H325-T328 WeakPolarHBondContact CE1-CG2 3.41Å; H325-T328 WeakPolarHBondContact ND1-CG2 3.44Å; H325-T328 PolarHBondContact ND1-OG1 3.07Å
326L27.4Very low33.6Very low140 Ų140122.9 Ų122.973%0.73367%0.666SS**SBendtrans-64.1160.8140.9-7879.6000108
327L26.1Very low31.8Very low138 Ų138125.8 Ų125.872%0.72369%0.687SS**SBendtrans78.412167.7-51.9170.3000119.6
328T26.8Very low29.9Very low99 Ų99134.4 Ų134.461%0.60772%0.722SS**SBendtrans-114.43.2174.244.50000116.5H325H325-T328 VanDerWaalsContact CE1-CG2 3.45Å; H325-T328 WeakPolarHBondContact CE1-CG2 3.41Å; H325-T328 WeakPolarHBondContact ND1-CG2 3.44Å; H325-T328 PolarHBondContact ND1-OG1 3.07Å
329S26.6Very low28.4Very low122 Ų122135.9 Ų135.985%0.85374%0.739SS**SBendtrans-12311.5177.857.50000115.1
330S26.7Very low27.4Very low91 Ų91135.1 Ų135.164%0.63675%0.751SS**SBendtrans-122.29.9-178.460.80000115
331L27.2Very low26.8Very low129 Ų129136 Ų13668%0.67575%0.751SS**SBendtrans-133.260.2-176.1-89.1150.4000111.3
332N26.4Very low26.7Very low158 Ų158138.5 Ų138.585%0.84577%0.765SS**SBendtrans-154.635.2169.3-118.7-17000114.2
333H25.5Very low26.2Very low195 Ų195139 Ų13990%0.90377%0.765SS**  trans-152.259.2174.5-108.6-60.9000112.8
334S22.7Very low26.2Very low103 Ų103140.8 Ų140.872%0.7277%0.773SS**  trans-148.525.2179.352.70000116.6
335I25.5Very low26Very low161 Ų161139 Ų13983%0.82677%0.77SS**  trans-147.6121.3157.4-82.9132.8000102.7
336I28.5Very low25.6Very low158 Ų158138.7 Ų138.781%0.8178%0.78SS**  cis-127151.142.3-67.5167000112.1
337S23.1Very low25.3Very low88 Ų88136.8 Ų136.862%0.61578%0.779SS**  trans-92.4141.8175.465.50000113.8
338K22.7Very low25.1Very low190 Ų190138.9 Ų138.983%0.82679%0.787SS**  trans69.7140.1167.6-47.9162.5-1751750112.6
339T25.9Very low25.1Very low120 Ų120142.5 Ų142.574%0.73680%0.801SS**  cis-149.4170.734.646.70000114
340T28.3Very low25Very low135 Ų135145.8 Ų145.883%0.82880%0.802SS**  trans66.2125.8155.241.30000119.7
341Q22.6Very low24.7Very low181 Ų181146.6 Ų146.685%0.84681%0.808SS**  trans-83.5151.3173.5-52.1127.2-51.600111.7
342T26.5Very low24.5Very low148 Ų148150 Ų15091%0.90882%0.821SS**  trans-151.3150.5137.721.30000110
343T22Very low24.2Very low135 Ų135147.5 Ų147.583%0.82882%0.816SS**  trans-104.8129.4-172.448.50000112.1
344I27.4Very low24.1Very low169 Ų169145.9 Ų145.987%0.86781%0.814SS**  trans-134.5142.1159.4-60.2-176.7000108.1
345T24.8Very low24.1Very low121 Ų121146.4 Ų146.474%0.74282%0.817SS**  trans-88154-169.944.30000113.7
346P24.4Very low24Very low131 Ų131150.6 Ų150.685%0.85182%0.823SS**  trans-88.8114.3176.533.4-31.7000112.3
347S20.8Very low23.8Very low101 Ų101147.1 Ų147.171%0.70682%0.817SS**  trans-154157.516260.20000111
348M22.4Very low23.9Very low181 Ų181148.6 Ų148.689%0.89282%0.823SS**  trans58.682.5176.1-61.5-177.567.100117.3
349I26.3Very low24.2Very low175 Ų175146.3 Ų146.390%0.89782%0.818SS**  -142.4148.9127.1-98.7154.9000106.7
350Q25.4Very low24.5Very low191 Ų191145.5 Ų145.589%0.89381%0.809SS**  trans-76157.3-165.4-73.5152.6-76.500114.4
351S20.9Very low24.8Very low109 Ų109144 Ų14476%0.76280%0.802SS**  trans-80.4109.5179.653.10000113
352E21.9Very low26Very low199 Ų199141.7 Ų141.793%0.9379%0.789SS**  trans-132.173155.2-77.2-157150.300110.8
353S20.7Very low27.3Very low107 Ų107140.1 Ų140.175%0.74877%0.771SS**  trans-103.871.5175.661.10000111.2
354N22.4Very low29.5Very low161 Ų161137.5 Ų137.586%0.86175%0.748SS**  trans-156.273171.9-111.5-18.7000115.6
355S24.6Very low31.8Very low113 Ų113130.1 Ų130.179%0.7971%0.712SS**  trans-177.7104.1133.338.70000111.9A357S355-A357 VanDerWaalsContact C-N 3.28Å; S355-A357 PolarHBondContact O-N 3.37Å
356R22.4Very low34.5Very low250 Ų250124.4 Ų124.494%0.94368%0.677SS**  trans-75.183.7163.2-82.3179.3168.6154.9-4.5109V358R356-V358 PolarHBondContact O-N 3.06Å
357A24.5Very low37.2Very low84 Ų84119.6 Ų119.669%0.69464%0.643SS**  trans-65.996.3170.700000109.7S355 I359S355-A357 VanDerWaalsContact C-N 3.28Å; S355-A357 PolarHBondContact O-N 3.37Å; A357-I359 PolarHBondContact O-N 2.88Å; A357-I359 VanDerWaalsContact O-N 3.14Å
358V25.7Very low39.8Very low120 Ų120118.9 Ų118.973%0.72763%0.627SS**  trans-60.4115.7172.9176.10000108R356 N360R356-V358 PolarHBondContact O-N 3.06Å; V358-N360 PolarHBondContact O-N 2.84Å
359I28.8Very low42.6Very low142 Ų142110.6 Ų110.673%0.72859%0.586SS**  trans-73.692-175.9-57.6175.9000108.5A357A357-I359 PolarHBondContact O-N 2.88Å; A357-I359 VanDerWaalsContact O-N 3.14Å
360N31.3Very low45.3Very low103 Ų103102.2 Ų102.255%0.55154%0.543SS*.  trans-52.9135.5178.8-77.7-30000111.3V358 F362V358-N360 PolarHBondContact O-N 2.84Å; N360-F362 HydrophobicContact CB-CD2 3.62Å; N360-F362 HydrophobicContact CB-CE2 3.71Å; N360-F362 PolarHBondContact O-N 2.95Å
361P36Very low48Very low103 Ų10397.2 Ų97.267%0.66952%0.522SS*.  trans-79.561.8-175.334.7-37.4000111.5E363P361-E363 PolarHBondContact O-N 3.17Å
362F46.4Very low50.9Low133 Ų13396.6 Ų96.658%0.58351%0.507SS*.  trans-80.4120.7175.2-82.1-75000111.7N360 K364N360-F362 HydrophobicContact CB-CD2 3.62Å; N360-F362 HydrophobicContact CB-CE2 3.71Å; N360-F362 PolarHBondContact O-N 2.95Å; F362-K364 PolarHBondContact O-N 3.35Å; F362-K364 VanDerWaalsContact O-N 3.12Å
363E55Low53.8Low114 Ų11492.8 Ų92.853%0.53348%0.484SS..  trans-48.5110.7154.9-78.9-161.5160.800109.8P316 P361P316-E363 HydrophobicContact CB-CB 3.72Å; P316-E363 HydrophobicContact CB-CG 4.38Å; P316-E363 HydrophobicContact CG-CB 4.05Å; P316-E363 HydrophobicContact CG-CG 4.39Å; P316-E363 WeakPolarHBondContact CG-OE2 3.26Å; P361-E363 PolarHBondContact O-N 3.17Å
364K66.7Low56.7Low80 Ų8090 Ų9035%0.34847%0.472SS..  trans-95.2121.9176.9-65.2-165.7178.5-1690109.2H292 P316 A317 F362 E372H292-K364 PolarHBondContact NE2-O 3.43Å; H292-K364 VanDerWaalsContact NE2-O 3.16Å; P316-K364 VanDerWaalsContact CA-O 3.28Å; P316-K364 WeakPolarHBondContact CA-O 3.23Å; A317-K364 PolarHBondContact N-O 2.99Å; F362-K364 PolarHBondContact O-N 3.35Å; F362-K364 VanDerWaalsContact O-N 3.12Å; K364-E372 WeakPolarHBondContact CD-OE2 3.46Å; K364-E372 WeakPolarHBondContact CE-OE2 3.28Å; K364-E372 IonicContact NZ-OE1 3.06Å; K364-E372 PolarHBondContact NZ-OE1 3.4Å; K364-E372 IonicContact NZ-OE2 3.27Å; K364-E372 PolarHBondContact NZ-OE2 2.95Å
365S77.3Confident59.8Low15 Ų1584 Ų8411%0.10544%0.439CS..  trans-75.4153165.8670000110.6D314 F367 K368 M369D314-S365 WeakPolarHBondContact O-CB 3.42Å; S365-F367 PolarHBondContact O-N 3.32Å; S365-K368 PolarHBondContact O-N 3.35Å; S365-K368 VanDerWaalsContact O-N 3.1Å; S365-K368 PolarHBondContact OG-N 3.4Å; S365-M369 PolarHBondContact O-N 2.88Å
366P81.1Confident62.5Low0 Ų084.6 Ų84.60%043%0.433CS..Hα-helixtrans-54.5-33.8172.4-30.939.2000113.6V291 V295 L313 M369 A370 L382V291-P366 HydrophobicContact CB-CG 4.48Å; V291-P366 HydrophobicContact CG1-CB 4.01Å; V291-P366 HydrophobicContact CG1-CG 3.84Å; V295-P366 HydrophobicContact CG2-CB 3.93Å; L313-P366 WeakPolarHBondContact O-CB 3.34Å; L313-P366 VanDerWaalsContact O-CD 3.26Å; L313-P366 WeakPolarHBondContact O-CD 3.2Å; L313-P366 WeakPolarHBondContact O-CG 3.16Å; P366-M369 PolarHBondContact O-N 3.41Å; P366-A370 WeakPolarHBondContact O-CB 3.37Å; P366-A370 PolarHBondContact O-N 2.87Å; P366-L382 HydrophobicContact CB-CD1 4.36Å
367F80Confident65.3Low31 Ų3176.5 Ų76.514%0.13641%0.408CS..Hα-helixtrans-63.1-48.5173.5174.6-108.4000112.5S365 M369 A370 L371 A379 L382 A383 C387 F388S365-F367 PolarHBondContact O-N 3.32Å; F367-M369 VanDerWaalsContact C-N 3.3Å; F367-M369 PolarHBondContact O-N 2.84Å; F367-A370 WeakPolarHBondContact O-CB 3.48Å; F367-A370 PolarHBondContact O-N 3.5Å; F367-A370 VanDerWaalsContact O-N 3.16Å; F367-L371 HydrophobicContact CD1-CD1 4.35Å; F367-L371 HydrophobicContact CE1-CD1 3.7Å; F367-L371 HydrophobicContact CE2-CD1 4.3Å; F367-L371 HydrophobicContact CE2-CG 4.45Å; F367-L371 HydrophobicContact CZ-CD1 3.68Å; F367-L371 HydrophobicContact CZ-CG 4.3Å; F367-L371 PolarHBondContact O-N 2.96Å; F367-L371 VanDerWaalsContact O-N 3.16Å; F367-A379 HydrophobicContact CD2-CB 4.45Å; F367-A379 HydrophobicContact CE2-CB 4.21Å; F367-A379 WeakPolarHBondContact CE2-O 3.26Å; F367-L382 HydrophobicContact CB-CB 4.22Å; F367-L382 HydrophobicContact CB-CD1 4.47Å; F367-L382 HydrophobicContact CD2-CB 3.94Å; F367-A383 HydrophobicContact CE2-CB 4.03Å; F367-C387 HydrophobicContact CB-CB 4.14Å; F367-F388 HydrophobicContact CE1-CD1 4.35Å; F367-F388 HydrophobicContact CE1-CE1 4.26Å; F367-F388 HydrophobicContact CZ-CE1 4.15Å
368K76.3Confident68Low86 Ų8672.5 Ų72.537%0.37438%0.375SS..Hα-helixtrans-62.1-40.3176.4-175.3173.6-179.4175.90111.3S365 A370 L371 E372S365-K368 PolarHBondContact O-N 3.35Å; S365-K368 VanDerWaalsContact O-N 3.1Å; S365-K368 PolarHBondContact OG-N 3.4Å; K368-A370 VanDerWaalsContact C-N 3.31Å; K368-A370 PolarHBondContact O-N 2.96Å; K368-L371 PolarHBondContact O-N 3.01Å; K368-E372 WeakPolarHBondContact CE-OE1 3.49Å; K368-E372 HydrophobicContact CG-CG 4.37Å; K368-E372 WeakPolarHBondContact O-CB 3.46Å; K368-E372 WeakPolarHBondContact O-CG 3.49Å; K368-E372 PolarHBondContact O-N 3.39Å
369M81.2Confident70.5Confident6 Ų667.1 Ų67.13%0.0334%0.343CS..Hα-helixtrans-63.3-33.4175.8-176.2-177.9-79.800112.9E288 H292 V295 A296 S365 P366 F367 R373E288-M369 WeakPolarHBondContact OE1-CE 3.37Å; H292-M369 HydrophobicContact CB-CE 4.09Å; H292-M369 HydrophobicContact CB-SD 4.04Å; V295-M369 HydrophobicContact CB-SD 4.33Å; V295-M369 HydrophobicContact CG1-CB 4.09Å; V295-M369 HydrophobicContact CG1-CG 3.89Å; V295-M369 HydrophobicContact CG1-SD 4.26Å; A296-M369 HydrophobicContact CB-SD 4.35Å; S365-M369 PolarHBondContact O-N 2.88Å; P366-M369 PolarHBondContact O-N 3.41Å; F367-M369 VanDerWaalsContact C-N 3.3Å; F367-M369 PolarHBondContact O-N 2.84Å; M369-R373 WeakPolarHBondContact O-CB 3.2Å; M369-R373 PolarHBondContact O-N 3.43Å; M369-R373 PolarHBondContact SD-NH1 3.25Å
370A82.9Confident72.9Confident0 Ų066.1 Ų66.10%033%0.33CS..Hα-helixtrans-68.9-43.1175.600000111.5V295 P366 F367 K368 R373 G374 H375 M378 A379 L382V295-A370 HydrophobicContact CG1-CB 3.67Å; P366-A370 WeakPolarHBondContact O-CB 3.37Å; P366-A370 PolarHBondContact O-N 2.87Å; F367-A370 WeakPolarHBondContact O-CB 3.48Å; F367-A370 PolarHBondContact O-N 3.5Å; F367-A370 VanDerWaalsContact O-N 3.16Å; K368-A370 VanDerWaalsContact C-N 3.31Å; K368-A370 PolarHBondContact O-N 2.96Å; A370-R373 PolarHBondContact O-N 2.75Å; A370-G374 PolarHBondContact O-N 3.24Å; A370-G374 VanDerWaalsContact O-N 3.13Å; A370-H375 HydrophobicContact CB-CB 4.46Å; A370-H375 PolarHBondContact O-N 3.42Å; A370-M378 HydrophobicContact CB-CB 4.11Å; A370-A379 HydrophobicContact CB-CB 3.94Å; A370-L382 HydrophobicContact CB-CD1 4.23Å
371L82.3Confident75Confident86 Ų8661.9 Ų61.945%0.4531%0.307SS..Hα-helixtrans-64.1-48.2174.8-67.2176.2000111.9F367 K368 R373 G374 A379F367-L371 HydrophobicContact CD1-CD1 4.35Å; F367-L371 HydrophobicContact CE1-CD1 3.7Å; F367-L371 HydrophobicContact CE2-CD1 4.3Å; F367-L371 HydrophobicContact CE2-CG 4.45Å; F367-L371 HydrophobicContact CZ-CD1 3.68Å; F367-L371 HydrophobicContact CZ-CG 4.3Å; F367-L371 PolarHBondContact O-N 2.96Å; F367-L371 VanDerWaalsContact O-N 3.16Å; K368-L371 PolarHBondContact O-N 3.01Å; L371-R373 PolarHBondContact O-N 3.21Å; L371-G374 PolarHBondContact O-N 2.64Å; L371-A379 HydrophobicContact CD2-CB 3.68Å; L371-A379 HydrophobicContact CG-CB 4.15Å
372E81.2Confident77Confident95 Ų9557 Ų5744%0.44428%0.276SS..Hα-helixtrans-59.9-26.5178.5-74.6177.1-17800113.5K364 K368K364-E372 WeakPolarHBondContact CD-OE2 3.46Å; K364-E372 WeakPolarHBondContact CE-OE2 3.28Å; K364-E372 IonicContact NZ-OE1 3.06Å; K364-E372 PolarHBondContact NZ-OE1 3.4Å; K364-E372 IonicContact NZ-OE2 3.27Å; K364-E372 PolarHBondContact NZ-OE2 2.95Å; K368-E372 WeakPolarHBondContact CE-OE1 3.49Å; K368-E372 HydrophobicContact CG-CG 4.37Å; K368-E372 WeakPolarHBondContact O-CB 3.46Å; K368-E372 WeakPolarHBondContact O-CG 3.49Å; K368-E372 PolarHBondContact O-N 3.39Å
373R82.8Confident78.1Confident119 Ų11952 Ų5245%0.44926%0.258SS..THydrogen-bonded Turntrans-98.32.2176-71.1-176.8163.6120.8-5.7114.1A296 M369 A370 L371 H375A296-R373 VanDerWaalsContact CB-NH1 3.29Å; M369-R373 WeakPolarHBondContact O-CB 3.2Å; M369-R373 PolarHBondContact O-N 3.43Å; M369-R373 PolarHBondContact SD-NH1 3.25Å; A370-R373 PolarHBondContact O-N 2.75Å; L371-R373 PolarHBondContact O-N 3.21Å; R373-H375 PolarHBondContact O-CD2 3.34Å; R373-H375 VanDerWaalsContact O-CD2 3.27Å; R373-H375 PolarHBondContact O-N 3.11Å
374G81.7Confident78.7Confident48 Ų4851.7 Ų51.750%0.49526%0.257SS..THydrogen-bonded Turntrans67.818.5-178.500000114.8A370 L371 L376A370-G374 PolarHBondContact O-N 3.24Å; A370-G374 VanDerWaalsContact O-N 3.13Å; L371-G374 PolarHBondContact O-N 2.64Å; G374-L376 PolarHBondContact O-N 3.5Å
375H87.4Confident78.7Confident36 Ų3648.4 Ų48.417%0.16724%0.244CC..  trans-80.169.4-179.8-61.8168.3000110.6V295 A370 R373 D377 M378 A379V295-H375 PolarHBondContact O-CE1 2.75Å; V295-H375 PolarHBondContact O-ND1 3.34Å; A370-H375 HydrophobicContact CB-CB 4.46Å; A370-H375 PolarHBondContact O-N 3.42Å; R373-H375 PolarHBondContact O-CD2 3.34Å; R373-H375 VanDerWaalsContact O-CD2 3.27Å; R373-H375 PolarHBondContact O-N 3.11Å; H375-D377 PolarHBondContact O-N 3.26Å; H375-M378 HydrophobicContact CB-CB 4.01Å; H375-M378 HydrophobicContact CB-CG 3.94Å; H375-M378 WeakPolarHBondContact O-CB 3.23Å; H375-M378 PolarHBondContact O-N 3.29Å; H375-A379 PolarHBondContact O-N 3.42Å
376L81.3Confident77.8Confident126 Ų12647.8 Ų47.866%0.6624%0.24SC*.Hα-helixtrans-58-41.2-168.1-62.6179.9000114.3G374 M378 A379 R380G374-L376 PolarHBondContact O-N 3.5Å; L376-M378 VanDerWaalsContact C-N 3.33Å; L376-M378 PolarHBondContact O-N 3.23Å; L376-A379 PolarHBondContact O-N 2.93Å; L376-R380 WeakPolarHBondContact O-CB 3.02Å; L376-R380 PolarHBondContact O-N 2.78Å
377D82Confident76.7Confident80 Ų8047.8 Ų47.843%0.42824%0.24SC..Hα-helixtrans-64.6-36.6175.6-74.9-62.2000112.7L300 H375 R380 I381L300-D377 HydrophobicContact CD1-CB 4.32Å; H375-D377 PolarHBondContact O-N 3.26Å; D377-R380 IonicContact OD1-CZ 3.72Å; D377-R380 IonicContact OD1-NH1 3.99Å; D377-R380 PolarHBondContact OD1-NH1 3.14Å; D377-R380 IonicContact OD1-NH2 2.75Å; D377-R380 PolarHBondContact OD1-NH2 2.95Å; D377-I381 WeakPolarHBondContact O-CB 3.43Å; D377-I381 VanDerWaalsContact O-CG1 3.31Å; D377-I381 WeakPolarHBondContact O-CG1 3.26Å; D377-I381 PolarHBondContact O-N 3.1Å
378M81.7Confident75.5Confident0 Ų049 Ų490%025%0.245CC..Hα-helixtrans-68.1-43.3175.4-57.6-68.1-106.100110.4V294 N298 L300 L303 A370 H375 L376 I381 L382V294-M378 HydrophobicContact CG1-CE 3.63Å; V294-M378 VanDerWaalsContact O-CE 3.25Å; V294-M378 WeakPolarHBondContact O-CE 3.39Å; N298-M378 VanDerWaalsContact OD1-CG 3.3Å; N298-M378 WeakPolarHBondContact OD1-CG 3.41Å; L300-M378 HydrophobicContact CB-SD 4.1Å; L300-M378 HydrophobicContact CD1-SD 3.58Å; L300-M378 VanDerWaalsContact CD1-SD 3.58Å; L300-M378 HydrophobicContact CG-SD 4.46Å; L303-M378 HydrophobicContact CB-CE 3.98Å; L303-M378 HydrophobicContact CB-SD 4.04Å; L303-M378 HydrophobicContact CD2-CB 4.27Å; L303-M378 HydrophobicContact CD2-CE 4.15Å; L303-M378 HydrophobicContact CD2-SD 3.49Å; L303-M378 WeakPolarHBondContact CD2-SD 3.36Å; L303-M378 HydrophobicContact CG-SD 4.39Å; A370-M378 HydrophobicContact CB-CB 4.11Å; H375-M378 HydrophobicContact CB-CB 4.01Å; H375-M378 HydrophobicContact CB-CG 3.94Å; H375-M378 WeakPolarHBondContact O-CB 3.23Å; H375-M378 PolarHBondContact O-N 3.29Å; L376-M378 VanDerWaalsContact C-N 3.33Å; L376-M378 PolarHBondContact O-N 3.23Å; M378-I381 PolarHBondContact O-N 3.16Å; M378-L382 WeakPolarHBondContact O-CB 3.15Å; M378-L382 WeakPolarHBondContact O-CD1 3.39Å; M378-L382 WeakPolarHBondContact O-CG 3.21Å; M378-L382 PolarHBondContact O-N 3.12Å
379A78.2Confident73.8Confident7 Ų748.2 Ų48.26%0.05825%0.25CS..Hα-helixtrans-62.7-42.8176.300000111.6F367 A370 L371 H375 L376 L382 A383F367-A379 HydrophobicContact CD2-CB 4.45Å; F367-A379 HydrophobicContact CE2-CB 4.21Å; F367-A379 WeakPolarHBondContact CE2-O 3.26Å; A370-A379 HydrophobicContact CB-CB 3.94Å; L371-A379 HydrophobicContact CD2-CB 3.68Å; L371-A379 HydrophobicContact CG-CB 4.15Å; H375-A379 PolarHBondContact O-N 3.42Å; L376-A379 PolarHBondContact O-N 2.93Å; A379-L382 PolarHBondContact O-N 3.49Å; A379-A383 WeakPolarHBondContact O-CB 3.48Å; A379-A383 PolarHBondContact O-N 2.89Å
380R77.2Confident71.7Confident121 Ų12150.8 Ų50.846%0.45727%0.266SS..Hα-helixtrans-61.5-50175.9-168.6-173.762-109.1-11.3111.5L376 D377 L382 A383 E384L376-R380 WeakPolarHBondContact O-CB 3.02Å; L376-R380 PolarHBondContact O-N 2.78Å; D377-R380 IonicContact OD1-CZ 3.72Å; D377-R380 IonicContact OD1-NH1 3.99Å; D377-R380 PolarHBondContact OD1-NH1 3.14Å; D377-R380 IonicContact OD1-NH2 2.75Å; D377-R380 PolarHBondContact OD1-NH2 2.95Å; R380-L382 VanDerWaalsContact C-N 3.31Å; R380-L382 PolarHBondContact O-N 2.65Å; R380-A383 WeakPolarHBondContact O-CB 3Å; R380-A383 PolarHBondContact O-N 3.14Å; R380-A383 VanDerWaalsContact O-N 3.11Å; R380-E384 WeakPolarHBondContact CD-OE1 3.5Å; R380-E384 HydrophobicContact CG-CG 4.49Å; R380-E384 VanDerWaalsContact CG-OE1 3.31Å; R380-E384 WeakPolarHBondContact CG-OE1 3.03Å; R380-E384 IonicContact NE-OE1 2.74Å; R380-E384 PolarHBondContact NE-OE1 2.99Å; R380-E384 WeakPolarHBondContact O-CG 3.08Å; R380-E384 PolarHBondContact O-N 2.94Å
381I77.4Confident69.4Low14 Ų1459.3 Ų59.37%0.07231%0.306CS..Hα-helixtrans-62.6-36.9178.5-71.2169.4000111.7L300 L303 L307 D377 M378 V385L300-I381 HydrophobicContact CD1-CD1 3.6Å; L303-I381 HydrophobicContact CD2-CB 4.08Å; L303-I381 HydrophobicContact CD2-CG2 3.71Å; L303-I381 HydrophobicContact CG-CG2 4.22Å; L307-I381 HydrophobicContact CD1-CG2 3.44Å; L307-I381 VanDerWaalsContact CD1-CG2 3.44Å; D377-I381 WeakPolarHBondContact O-CB 3.43Å; D377-I381 VanDerWaalsContact O-CG1 3.31Å; D377-I381 WeakPolarHBondContact O-CG1 3.26Å; D377-I381 PolarHBondContact O-N 3.1Å; M378-I381 PolarHBondContact O-N 3.16Å; I381-V385 WeakPolarHBondContact O-CB 3.46Å; I381-V385 WeakPolarHBondContact O-CG2 3.42Å; I381-V385 PolarHBondContact O-N 2.86Å
382L76.5Confident66.8Low0 Ų059.8 Ų59.80%031%0.308CS..Hα-helixtrans-69.9-34.1175-71.8165.6000112V295 L303 L313 P366 F367 A370 M378 A379 R380 V385 G386 C387V295-L382 HydrophobicContact CG2-CD1 3.95Å; L303-L382 HydrophobicContact CD1-CD2 4.06Å; L303-L382 HydrophobicContact CD1-CG 4.49Å; L303-L382 HydrophobicContact CD2-CG 4.31Å; L313-L382 HydrophobicContact CB-CD2 3.71Å; L313-L382 HydrophobicContact CD1-CD2 3.81Å; L313-L382 HydrophobicContact CG-CD2 4.43Å; P366-L382 HydrophobicContact CB-CD1 4.36Å; F367-L382 HydrophobicContact CB-CB 4.22Å; F367-L382 HydrophobicContact CB-CD1 4.47Å; F367-L382 HydrophobicContact CD2-CB 3.94Å; A370-L382 HydrophobicContact CB-CD1 4.23Å; M378-L382 WeakPolarHBondContact O-CB 3.15Å; M378-L382 WeakPolarHBondContact O-CD1 3.39Å; M378-L382 WeakPolarHBondContact O-CG 3.21Å; M378-L382 PolarHBondContact O-N 3.12Å; A379-L382 PolarHBondContact O-N 3.49Å; R380-L382 VanDerWaalsContact C-N 3.31Å; R380-L382 PolarHBondContact O-N 2.65Å; L382-V385 PolarHBondContact O-N 3.48Å; L382-G386 PolarHBondContact O-N 3.08Å; L382-C387 HydrophobicContact CB-CB 4.09Å; L382-C387 HydrophobicContact CD2-CB 4.43Å; L382-C387 VanDerWaalsContact CD2-SG 3.54Å; L382-C387 WeakPolarHBondContact O-CB 3.46Å; L382-C387 PolarHBondContact O-N 2.84Å; L382-C387 VanDerWaalsContact O-N 3.09Å; L382-C387 PolarHBondContact O-SG 3.25Å
383A69.7Low64.4Low27 Ų2761 Ų6122%0.22332%0.324CS..Hα-helixtrans-66.6-47172.600000112.2F367 A379 R380 V385 G386 F388F367-A383 HydrophobicContact CE2-CB 4.03Å; A379-A383 WeakPolarHBondContact O-CB 3.48Å; A379-A383 PolarHBondContact O-N 2.89Å; R380-A383 WeakPolarHBondContact O-CB 3Å; R380-A383 PolarHBondContact O-N 3.14Å; R380-A383 VanDerWaalsContact O-N 3.11Å; A383-V385 PolarHBondContact O-N 3.16Å; A383-G386 PolarHBondContact O-N 3.26Å; A383-F388 HydrophobicContact CB-CE1 4.29Å; A383-F388 HydrophobicContact CB-CZ 3.79Å
384E68.6Low61.6Low108 Ų10862 Ų6251%0.50534%0.337SS..THydrogen-bonded Turntrans-58.6-10.5174-69.6165.8-171.600114R380R380-E384 WeakPolarHBondContact CD-OE1 3.5Å; R380-E384 HydrophobicContact CG-CG 4.49Å; R380-E384 VanDerWaalsContact CG-OE1 3.31Å; R380-E384 WeakPolarHBondContact CG-OE1 3.03Å; R380-E384 IonicContact NE-OE1 2.74Å; R380-E384 PolarHBondContact NE-OE1 2.99Å; R380-E384 WeakPolarHBondContact O-CG 3.08Å; R380-E384 PolarHBondContact O-N 2.94Å
385V66.8Low59Low11 Ų1168.2 Ų68.27%0.06735%0.353CS..THydrogen-bonded Turntrans-106.9-4.5-178.1165.30000111.9L307 L313 I381 L382 A383 C387 Q458L307-V385 HydrophobicContact CD1-CG2 4.06Å; L307-V385 HydrophobicContact CD2-CB 4.32Å; L307-V385 HydrophobicContact CD2-CG1 3.86Å; L307-V385 HydrophobicContact CD2-CG2 3.47Å; L307-V385 VanDerWaalsContact CD2-CG2 3.47Å; L307-V385 HydrophobicContact CG-CG2 4.44Å; L313-V385 HydrophobicContact CD1-CG1 4.44Å; I381-V385 WeakPolarHBondContact O-CB 3.46Å; I381-V385 WeakPolarHBondContact O-CG2 3.42Å; I381-V385 PolarHBondContact O-N 2.86Å; L382-V385 PolarHBondContact O-N 3.48Å; A383-V385 PolarHBondContact O-N 3.16Å; V385-C387 VanDerWaalsContact CG1-SG 3.57Å; V385-Q458 PolarHBondContact O-OE1 3.11Å
386G58.5Low56Low2 Ų271.3 Ų71.32%0.02138%0.378CS..THydrogen-bonded Turntrans7826.4-179.500000114.4L382 A383 F388L382-G386 PolarHBondContact O-N 3.08Å; A383-G386 PolarHBondContact O-N 3.26Å; G386-F388 PolarHBondContact O-N 3.36Å
387C57.6Low53.3Low1 Ų172.3 Ų72.31%0.00738%0.384CS..  trans-68.626-175-62.40000115.5D314 F367 L382 V385D314-C387 WeakPolarHBondContact OD2-CA 3.47Å; F367-C387 HydrophobicContact CB-CB 4.14Å; L382-C387 HydrophobicContact CB-CB 4.09Å; L382-C387 HydrophobicContact CD2-CB 4.43Å; L382-C387 VanDerWaalsContact CD2-SG 3.54Å; L382-C387 WeakPolarHBondContact O-CB 3.46Å; L382-C387 PolarHBondContact O-N 2.84Å; L382-C387 VanDerWaalsContact O-N 3.09Å; L382-C387 PolarHBondContact O-SG 3.25Å; V385-C387 VanDerWaalsContact CG1-SG 3.57Å
388F53.3Low50.6Low55 Ų5573.3 Ų73.324%0.24140%0.398CS..  trans-83.8135.5-176.7-52.2-72.3000111.2F367 A383 G386 K459F367-F388 HydrophobicContact CE1-CD1 4.35Å; F367-F388 HydrophobicContact CE1-CE1 4.26Å; F367-F388 HydrophobicContact CZ-CE1 4.15Å; A383-F388 HydrophobicContact CB-CE1 4.29Å; A383-F388 HydrophobicContact CB-CZ 3.79Å; G386-F388 PolarHBondContact O-N 3.36Å; F388-K459 PolarHBondContact O-NZ 3.27Å
389C42.2Very low48Very low71 Ų7180.7 Ų80.748%0.4844%0.436SS..  trans-12172.9172.3-66.50000109.3H391C389-H391 PolarHBondContact O-N 3.15Å; C389-H391 VanDerWaalsContact O-N 3.11Å
390T36.6Very low45.4Very low59 Ų5984.7 Ų84.736%0.36246%0.463SS..  trans-8083.3172.849.10000110.4L392 W497 Y500T390-L392 PolarHBondContact O-N 3.37Å; T390-W497 HydrophobicContact CG2-CE3 4.43Å; T390-W497 HydrophobicContact CG2-CZ3 3.89Å; T390-Y500 HydrophobicContact CG2-CD1 4.14Å; T390-Y500 HydrophobicContact CG2-CG 4.33Å
391H33.5Very low42.9Very low180 Ų18084.7 Ų84.783%0.83348%0.481SS*.  trans-64.5104.5156.2-91.8-79.5000108.2C389C389-H391 PolarHBondContact O-N 3.15Å; C389-H391 VanDerWaalsContact O-N 3.11Å
392L29.3Very low40.4Very low96 Ų9690.1 Ų90.150%0.50352%0.515SS..  trans-60.5128.5166.1-74.8166.3000108.2T390 I394 Y500T390-L392 PolarHBondContact O-N 3.37Å; L392-I394 HydrophobicContact CB-CG1 4.16Å; L392-I394 PolarHBondContact O-N 3.48Å; L392-Y500 HydrophobicContact CD2-CE1 3.96Å
393P29.4Very low37.9Very low119 Ų11995.7 Ų95.777%0.77355%0.553SS**  trans-75.677.8178.330.8-34.6000110.3H395P393-H395 PolarHBondContact O-N 3.15Å
394I25.2Very low35.8Very low141 Ų14198.3 Ų98.372%0.72357%0.574SS**  trans-78.363.8173.1-47.6179.5000109.1L392L392-I394 HydrophobicContact CB-CG1 4.16Å; L392-I394 PolarHBondContact O-N 3.48Å
395H27.2Very low33.8Very low179 Ų17998.6 Ų98.683%0.82959%0.588SS**  trans-122.689.6170.2-87.8-65.8000110.3P393 N397P393-H395 PolarHBondContact O-N 3.15Å; H395-N397 PolarHBondContact O-N 3.34Å
396S24.5Very low31.9Very low101 Ų101103.2 Ų103.271%0.70662%0.621SS**  trans-66.8108.8158.550.80000109.5
397N25Very low30.5Very low146 Ų146107.6 Ų107.678%0.78165%0.651SS**  173.8135.2122.6-85.2-12.6000113.7H395H395-N397 PolarHBondContact O-N 3.34Å
398S25Very low29.1Very low102 Ų102113.4 Ų113.471%0.71369%0.692SS**  trans31.4127.1146.262.20000122.4
399I27.2Very low28.1Very low155 Ų155115.5 Ų115.580%0.79571%0.713SS**  trans163.4112.4134.2-86.5153.4000105.4
400S23.3Very low27.5Very low91 Ų91117.3 Ų117.364%0.63673%0.727SS**  cis85.7104.143.879.70000114.6
401S24.3Very low27.2Very low120 Ų120119 Ų11984%0.83974%0.741SS**  trans62.3162.9170.169.20000116.5
402V25.5Very low27.1Very low128 Ų128116.7 Ų116.778%0.77674%0.74SS**  cis-138166.319.8176.20000112.3
403C23.8Very low27.1Very low118 Ų118117.1 Ų117.180%0.79775%0.751SS**  trans-48.7-177.4175.1-43.60000117.2
404A25.1Very low27.1Very low81 Ų81116 Ų11667%0.66975%0.752SS**  cis-162.9168.418.700000115.1
405S26.6Very low27.3Very low115 Ų115114 Ų11480%0.80475%0.75SS**  trans60.5142.4154.847.70000120.1
406S27.3Very low27.4Very low108 Ų108110.8 Ų110.876%0.75575%0.748SS**  cis-167.7-166.7-11.359.40000108
407S29.6Very low27.6Very low93 Ų93110.5 Ų110.565%0.6575%0.746SS**  cis-168.3150.73.914.60000110.7
408S28.1Very low27.8Very low123 Ų123109 Ų10986%0.8675%0.747SS**  trans67.6150.8165.172.60000118.2
409S31.5Very low27.9Very low99 Ų99109.7 Ų109.769%0.69275%0.752SS**  cis-146.7159.712.560.60000114.9
410S29.9Very low28Very low109 Ų109105.5 Ų105.576%0.76275%0.747SS**  trans61.5141.9157.444.20000119.8
411S30.9Very low28.2Very low96 Ų96108.2 Ų108.267%0.67175%0.754SS**  cis-166.2152-3.345.80000112.8
412T30.3Very low28.3Very low131 Ų131109.4 Ų109.480%0.80475%0.751SS**  trans58.8142.5153.549.70000120.5
413S28.9Very low28.4Very low104 Ų104108.8 Ų108.873%0.72775%0.747SS**  cis-175.7150.2-11.547.70000111.5
414A29.1Very low28.5Very low97 Ų97108.7 Ų108.780%0.80274%0.744SS**  trans65.4153163.500000118
415S29.9Very low28.6Very low97 Ų97112 Ų11268%0.67875%0.75SS**  cis-169.6148.5-18.347.40000110.8
416S29.2Very low28.5Very low112 Ų112111.8 Ų111.878%0.78374%0.744SS**  trans58.7152.7159.649.50000119.2
417S28.7Very low28.4Very low96 Ų96113.1 Ų113.167%0.67174%0.742SS**  cis-175.8146.2-19.349.90000109.3
418S28.9Very low28.2Very low113 Ų113114.4 Ų114.479%0.7975%0.747SS**  trans57.2160.8161.751.60000118.6
419S28.1Very low28.1Very low117 Ų117116 Ų11682%0.81874%0.744SS**  cis-171.7163.7-2754.30000108.1
420G28.8Very low27.8Very low68 Ų68119.3 Ų119.370%0.70175%0.748SS**  trans103.893.6155.300000119
421N27.2Very low27.4Very low147 Ų147119.1 Ų119.179%0.78675%0.747SS**  trans26145.1131.9-59.93.2000123.2
422N27.1Very low27.3Very low146 Ų146121 Ų12178%0.78175%0.754SS**  trans73.2151.3147.6-67.22.3000118.7
423V27.3Very low26.9Very low114 Ų114123.1 Ų123.169%0.69176%0.757SS**  cis-171.8141.8-351150000105.7
424T26Very low26.9Very low117 Ų117128 Ų12872%0.71877%0.765SS**  trans4412617253.60000117.9
425D27.2Very low26.6Very low150 Ų150130.9 Ų130.980%0.80277%0.767SS**  -162.7-171.376.6-125.4-39.7000114.7
426T24.6Very low26.4Very low110 Ų110130.8 Ų130.868%0.67577%0.767SS**  trans-110.6152.3-162.560.50000117.5
427N25Very low26.3Very low136 Ų136133 Ų13373%0.72777%0.765SS**  trans82.6117.1150.4-66.8-28.4000123.1
428T25.1Very low26.2Very low120 Ų120136.8 Ų136.874%0.73678%0.776SS**  trans70.3119.9136.5580000121.8
429I27.1Very low26Very low158 Ų158137.6 Ų137.681%0.8177%0.771SS**  -174.8136.7103.4-92.1163000112.9
430H24.7Very low26.2Very low167 Ų167139.8 Ų139.877%0.77377%0.767SS**  trans22126.8162.1-82.5-92.7000126.5
431S22.2Very low26.2Very low106 Ų106144 Ų14474%0.74177%0.769SS**  trans73.6153.8133.677.50000119.2
432T27.9Very low26.8Very low135 Ų135141.8 Ų141.883%0.82876%0.757SS**  cis-133.6174.222.555.70000115.2
433M22.4Very low27.3Very low176 Ų176142.3 Ų142.387%0.86776%0.759SS**  trans-64.6149.9-169.6-59.1177.2172.400117.1
434K28.3Very low27.8Very low206 Ų206141.9 Ų141.990%0.89675%0.752SS**  -161.3141.5117.3-107.9166.4-174.8176.20112.8
435N24Very low28.4Very low157 Ų157140.1 Ų140.184%0.8474%0.742SS**  trans-76169.1167.4-54.3-47000109.3
436S24.2Very low29Very low96 Ų96143 Ų14367%0.67174%0.741SS**  cis-150.4161.816.946.50000108.8
437H28.5Very low29.5Very low158 Ų158147.7 Ų147.773%0.73175%0.747SS**  cis-143.4141.643.1-84.1-104.6000113.1
438L25.4Very low30.3Very low175 Ų175144.7 Ų144.792%0.91673%0.725SS**  trans-133.362.3175.2-161.997.7000110.6
439I26.1Very low31Very low131 Ų131145.2 Ų145.267%0.67272%0.724SS**  trans-134.584.2-169.6-47.9178000111.2
440H30.4Very low31.6Very low162 Ų162141.1 Ų141.175%0.7572%0.721SS**  trans-177.224.3135.2-114.1-75.9000115.9N442H440-N442 PolarHBondContact O-N 3.17Å; H440-N442 VanDerWaalsContact O-N 3.13Å
441Q30.2Very low32Very low156 Ų156138.3 Ų138.373%0.72971%0.711SS**SBendtrans-67.3112.9162-76.3-169.5-11.300109L443Q441-L443 PolarHBondContact O-N 2.96Å
442N39.4Very low33.3Very low102 Ų102135.2 Ų135.255%0.54569%0.686SS.*  trans-55.5121-172.5-78.1-24.4000112.5H440 L444 T445H440-N442 PolarHBondContact O-N 3.17Å; H440-N442 VanDerWaalsContact O-N 3.13Å; N442-L444 PolarHBondContact O-N 3.2Å; N442-L444 VanDerWaalsContact O-N 3.14Å; N442-T445 PolarHBondContact O-N 2.91Å; N442-T445 VanDerWaalsContact O-N 3.16Å
443L37.3Very low34.3Very low157 Ų157134.3 Ų134.382%0.82267%0.672SS**Hα-helixtrans-57.5-30179.8-9778.2000113.1Q441Q441-L443 PolarHBondContact O-N 2.96Å
444L37Very low35.6Very low105 Ų105128.8 Ų128.855%0.5565%0.648SS.*Hα-helixtrans-62-47.4177.9-65.2173.4000111.7N442 R446 R447 Y448N442-L444 PolarHBondContact O-N 3.2Å; N442-L444 VanDerWaalsContact O-N 3.14Å; L444-R446 VanDerWaalsContact C-N 3.27Å; L444-R446 PolarHBondContact O-N 3.33Å; L444-R447 PolarHBondContact O-N 2.8Å; L444-R447 VanDerWaalsContact O-N 3.15Å; L444-Y448 HydrophobicContact CD2-CE2 4.19Å; L444-Y448 WeakPolarHBondContact O-CD2 3.49Å; L444-Y448 PolarHBondContact O-N 3.49Å
445T39.3Very low36.8Very low80 Ų80121.2 Ų121.249%0.49162%0.615SS.*Hα-helixtrans-62.3-35.8-176.7-40.70000111.5N442 R447 N449N442-T445 PolarHBondContact O-N 2.91Å; N442-T445 VanDerWaalsContact O-N 3.16Å; T445-R447 VanDerWaalsContact C-N 3.33Å; T445-R447 PolarHBondContact O-N 3.09Å; T445-N449 PolarHBondContact O-OD1 3.07Å
446R40.1Very low38.5Very low209 Ų209114.3 Ų114.379%0.78958%0.579SS**Hα-helixtrans-75.5-13.7179.7-117.5-177-174.3-175.83115L444L444-R446 VanDerWaalsContact C-N 3.27Å; L444-R446 PolarHBondContact O-N 3.33Å
447R35.9Very low40.4Very low210 Ų210111 Ų11179%0.79255%0.554SS**Hα-helixtrans-102.5-27.2-180-97.8-173.5175.4176.60.3115L444 T445L444-R447 PolarHBondContact O-N 2.8Å; L444-R447 VanDerWaalsContact O-N 3.15Å; T445-R447 VanDerWaalsContact C-N 3.33Å; T445-R447 PolarHBondContact O-N 3.09Å
448Y40.4Very low41.9Very low72 Ų72107.3 Ų107.328%0.28254%0.537SS..Hα-helixtrans-116.79.4-169.8-57.3-67.2000114.9L444 G450 L451 L452 L490L444-Y448 HydrophobicContact CD2-CE2 4.19Å; L444-Y448 WeakPolarHBondContact O-CD2 3.49Å; L444-Y448 PolarHBondContact O-N 3.49Å; Y448-G450 PolarHBondContact O-N 2.97Å; Y448-L451 PolarHBondContact O-N 3.38Å; Y448-L452 HydrophobicContact CD1-CD1 4.08Å; Y448-L490 HydrophobicContact CE1-CD1 3.96Å
449N40.4Very low43.6Very low131 Ų131100.9 Ų100.970%0.70150%0.502SS*.THydrogen-bonded Turntrans-57-9.8-177.8-98.54.6000116.9T445T445-N449 PolarHBondContact O-OD1 3.07Å
450G40.6Very low45.5Very low73 Ų7397.5 Ų97.575%0.75348%0.48SS*.THydrogen-bonded Turntrans-108.60.5175.800000115Y448Y448-G450 PolarHBondContact O-N 2.97Å
451L33.1Very low47.2Very low108 Ų10892 Ų9257%0.56546%0.46SS*.SBendtrans-151148.2-165.7-72.4173.6000113.3Y448Y448-L451 PolarHBondContact O-N 3.38Å
452L48.3Very low48.9Very low40 Ų4086.3 Ų86.321%0.20943%0.432CS..  trans73.7125.3157.2-35.8110.8000119.3Y448 I525 V526 P527Y448-L452 HydrophobicContact CD1-CD1 4.08Å; L452-I525 HydrophobicContact CB-CG2 3.33Å; L452-I525 HydrophobicContact CD1-CG2 3.67Å; L452-I525 HydrophobicContact CD2-CB 4.08Å; L452-I525 HydrophobicContact CD2-CG2 3.54Å; L452-I525 WeakPolarHBondContact CD2-O 3.31Å; L452-I525 HydrophobicContact CG-CG2 3.66Å; L452-V526 WeakPolarHBondContact CA-O 3.45Å; L452-V526 WeakPolarHBondContact CB-O 3.15Å; L452-V526 VanDerWaalsContact CD2-C 3.48Å; L452-P527 HydrophobicContact CD2-CB 4.29Å
453E49.1Very low50.1Low117 Ų11787 Ų8755%0.54743%0.43SS..EExtended strand (participates in β ladder)trans-86.7113.9165.2-172.4-163.5147.400109.2K455E453-K455 PolarHBondContact O-N 3.09Å; E453-K455 WeakPolarHBondContact OE1-CE 3.13Å; E453-K455 IonicContact OE1-NZ 2.75Å; E453-K455 PolarHBondContact OE1-NZ 3.35Å; E453-K455 VanDerWaalsContact OE2-CE 3.26Å; E453-K455 WeakPolarHBondContact OE2-CE 3.3Å; E453-K455 IonicContact OE2-NZ 3.54Å; E453-K455 PolarHBondContact OE2-NZ 2.92Å
454V49.3Very low51.4Low60 Ų6081.4 Ų81.436%0.36440%0.402SS..EExtended strand (participates in β ladder)trans-68.6122.1-179.9-179.40000110.3L492 A523 I525V454-L492 HydrophobicContact CG1-CD1 4.42Å; V454-A523 HydrophobicContact CG1-CB 3.81Å; V454-I525 HydrophobicContact CG2-CG2 4.44Å
455K53.1Low52.8Low46 Ų4678.8 Ų78.820%0.239%0.388CS..EExtended strand (participates in β ladder)trans-122143.9-179.4-75.4163.5177.5130.90110.2E453 L457 A523 I524 V526E453-K455 PolarHBondContact O-N 3.09Å; E453-K455 WeakPolarHBondContact OE1-CE 3.13Å; E453-K455 IonicContact OE1-NZ 2.75Å; E453-K455 PolarHBondContact OE1-NZ 3.35Å; E453-K455 VanDerWaalsContact OE2-CE 3.26Å; E453-K455 WeakPolarHBondContact OE2-CE 3.3Å; E453-K455 IonicContact OE2-NZ 3.54Å; E453-K455 PolarHBondContact OE2-NZ 2.92Å; K455-L457 PolarHBondContact O-N 2.78Å; K455-A523 CarbonylContact O-C 3.59Å; K455-A523 VanDerWaalsContact O-CA 3.3Å; K455-A523 WeakPolarHBondContact O-CA 3.23Å; K455-A523 WeakPolarHBondContact O-CB 3.4Å; K455-I524 HydrophobicContact CB-CG2 4.38Å; K455-I524 PolarHBondContact N-O 3.29Å; K455-I524 PolarHBondContact O-N 3.14Å; K455-V526 HydrophobicContact CD-CG2 4.33Å
456S60.1Low54Low12 Ų1276 Ų768%0.08437%0.368CS..EExtended strand (participates in β ladder)trans-54.8132.3163.5169.40000108.7Q458 K459 W460S456-Q458 PolarHBondContact O-N 2.93Å; S456-Q458 PolarHBondContact OG-N 2.99Å; S456-K459 WeakPolarHBondContact O-CB 3.25Å; S456-K459 PolarHBondContact O-N 2.64Å; S456-W460 PolarHBondContact O-N 3.41Å
457L63.4Low55.2Low28 Ų2872.2 Ų72.215%0.14736%0.36CS..Hα-helixtrans-56.9-36.7177176.664.5000110.2K455 W460 C461 L486 L491 L522 I524K455-L457 PolarHBondContact O-N 2.78Å; L457-W460 HydrophobicContact CD1-CE3 4.4Å; L457-W460 PolarHBondContact O-N 3.41Å; L457-C461 WeakPolarHBondContact O-CB 3.34Å; L457-C461 PolarHBondContact O-N 3.42Å; L457-C461 PolarHBondContact O-SG 3.22Å; L457-L486 HydrophobicContact CD1-CD2 4.47Å; L457-L486 HydrophobicContact CD2-CD1 4.49Å; L457-L491 HydrophobicContact CD1-CD2 4.41Å; L457-L491 HydrophobicContact CD2-CD2 4.23Å; L457-L522 HydrophobicContact CB-CB 4.2Å; L457-L522 WeakPolarHBondContact CB-O 3.49Å; L457-L522 HydrophobicContact CD2-CB 3.93Å; L457-L522 HydrophobicContact CD2-CD1 4.24Å; L457-L522 PolarHBondContact N-O 3.22Å; L457-I524 HydrophobicContact CB-CB 4.38Å; L457-I524 HydrophobicContact CB-CG2 4.47Å; L457-I524 HydrophobicContact CD1-CB 3.97Å; L457-I524 HydrophobicContact CD1-CD1 3.82Å; L457-I524 HydrophobicContact CD1-CG1 4.37Å; L457-I524 HydrophobicContact CD1-CG2 4.23Å
458Q60.8Low56.5Low79 Ų7969.1 Ų69.137%0.36935%0.354SS..Hα-helixtrans-62.5-46.5176.1-152.3-158.472.200111.3V385 S456 W460 C461 R462V385-Q458 PolarHBondContact O-OE1 3.11Å; S456-Q458 PolarHBondContact O-N 2.93Å; S456-Q458 PolarHBondContact OG-N 2.99Å; Q458-W460 PolarHBondContact O-N 2.88Å; Q458-C461 PolarHBondContact O-N 3.16Å; Q458-R462 WeakPolarHBondContact O-CB 3.5Å; Q458-R462 VanDerWaalsContact O-CG 3.23Å; Q458-R462 WeakPolarHBondContact O-CG 3.37Å; Q458-R462 PolarHBondContact O-N 3.19Å; Q458-R462 VanDerWaalsContact OE1-NE 3.11Å
459K60.6Low57.5Low41 Ų4167.4 Ų67.418%0.17835%0.35CS..Hα-helixtrans-60.9-41.9175.9-179.1173.6179.6156.80112.4D314 F388 S456 K463D314-K459 VanDerWaalsContact OD2-CD 3.23Å; D314-K459 WeakPolarHBondContact OD2-CD 3.32Å; D314-K459 WeakPolarHBondContact OD2-CE 3.41Å; D314-K459 IonicContact OD2-NZ 3.95Å; D314-K459 PolarHBondContact OD2-NZ 3.07Å; F388-K459 PolarHBondContact O-NZ 3.27Å; S456-K459 WeakPolarHBondContact O-CB 3.25Å; S456-K459 PolarHBondContact O-N 2.64Å; K459-K463 PolarHBondContact O-N 3.43Å
460W66.2Low58.5Low59 Ų5961.8 Ų61.822%0.22332%0.322CS..Hα-helixtrans-65.8-50.4175.4-175.984.3000112S456 L457 Q458 R462 K463 V464 F489 I524 V526S456-W460 PolarHBondContact O-N 3.41Å; L457-W460 HydrophobicContact CD1-CE3 4.4Å; L457-W460 PolarHBondContact O-N 3.41Å; Q458-W460 PolarHBondContact O-N 2.88Å; W460-R462 VanDerWaalsContact C-N 3.33Å; W460-R462 PolarHBondContact O-N 2.92Å; W460-K463 WeakPolarHBondContact O-CB 3.21Å; W460-K463 PolarHBondContact O-N 3.32Å; W460-V464 HydrophobicContact CD2-CG2 3.96Å; W460-V464 HydrophobicContact CE3-CG2 4.24Å; W460-V464 HydrophobicContact CH2-CG2 4.12Å; W460-V464 HydrophobicContact CZ2-CG2 3.82Å; W460-V464 HydrophobicContact CZ3-CG2 4.31Å; W460-V464 WeakPolarHBondContact O-CG2 3.46Å; W460-V464 PolarHBondContact O-N 2.84Å; W460-F489 HydrophobicContact CH2-CE2 4.22Å; W460-F489 AromaticContact CH2-CZ 3.89Å; W460-F489 HydrophobicContact CH2-CZ 3.89Å; W460-F489 HydrophobicContact CZ2-CE1 4.13Å; W460-F489 AromaticContact CZ2-CZ 3.74Å; W460-F489 HydrophobicContact CZ2-CZ 3.74Å; W460-I524 HydrophobicContact CB-CG2 3.68Å; W460-I524 HydrophobicContact CD2-CD1 4.08Å; W460-I524 HydrophobicContact CD2-CG2 4.45Å; W460-I524 HydrophobicContact CE3-CD1 3.97Å; W460-I524 HydrophobicContact CG-CG2 3.96Å; W460-I524 HydrophobicContact CZ3-CD1 4.23Å; W460-V526 HydrophobicContact CG-CG2 4.35Å
461C66.1Low59.5Low47 Ų4759.1 Ų59.132%0.31829%0.29SS..Hα-helixtrans-57-44.4176.2-71.90000111.8L457 Q458 K463 V464 I465L457-C461 WeakPolarHBondContact O-CB 3.34Å; L457-C461 PolarHBondContact O-N 3.42Å; L457-C461 PolarHBondContact O-SG 3.22Å; Q458-C461 PolarHBondContact O-N 3.16Å; C461-K463 PolarHBondContact O-N 3.16Å; C461-V464 PolarHBondContact O-N 2.89Å; C461-I465 WeakPolarHBondContact O-CB 3.35Å; C461-I465 WeakPolarHBondContact O-CD1 3.48Å; C461-I465 WeakPolarHBondContact O-CG1 3.48Å; C461-I465 PolarHBondContact O-N 3.36Å
462R66Low60.7Low37 Ų3759.5 Ų59.514%0.1428%0.284CS..Hα-helixtrans-58.9-44.2174.6-70.4177.2-166.8-120.58.6111.6N310 Q458 W460 R466N310-R462 VanDerWaalsContact OD1-CG 3.26Å; N310-R462 WeakPolarHBondContact OD1-CG 3.3Å; Q458-R462 WeakPolarHBondContact O-CB 3.5Å; Q458-R462 VanDerWaalsContact O-CG 3.23Å; Q458-R462 WeakPolarHBondContact O-CG 3.37Å; Q458-R462 PolarHBondContact O-N 3.19Å; Q458-R462 VanDerWaalsContact OE1-NE 3.11Å; W460-R462 VanDerWaalsContact C-N 3.33Å; W460-R462 PolarHBondContact O-N 2.92Å; R462-R466 VanDerWaalsContact O-CD 3.32Å; R462-R466 WeakPolarHBondContact O-CD 3.35Å; R462-R466 WeakPolarHBondContact O-CG 3.21Å; R462-R466 PolarHBondContact O-N 2.98Å
463K64.4Low61.2Low116 Ų11660.2 Ų60.250%0.50429%0.288SS..Hα-helixtrans-60.2-50.1176-173.6-174.9174-176.80111.7K459 W460 C461 I465 R466 Q467K459-K463 PolarHBondContact O-N 3.43Å; W460-K463 WeakPolarHBondContact O-CB 3.21Å; W460-K463 PolarHBondContact O-N 3.32Å; C461-K463 PolarHBondContact O-N 3.16Å; K463-I465 PolarHBondContact O-N 2.85Å; K463-R466 PolarHBondContact O-N 3.27Å; K463-Q467 WeakPolarHBondContact O-CG 3.46Å; K463-Q467 PolarHBondContact O-N 3.11Å
464V65.4Low61.6Low39 Ų3961.5 Ų61.524%0.23630%0.297CS..Hα-helixtrans-61.1-45.3-179.9173.90000111.1W460 C461 R466 Q467 H468W460-V464 HydrophobicContact CD2-CG2 3.96Å; W460-V464 HydrophobicContact CE3-CG2 4.24Å; W460-V464 HydrophobicContact CH2-CG2 4.12Å; W460-V464 HydrophobicContact CZ2-CG2 3.82Å; W460-V464 HydrophobicContact CZ3-CG2 4.31Å; W460-V464 WeakPolarHBondContact O-CG2 3.46Å; W460-V464 PolarHBondContact O-N 2.84Å; C461-V464 PolarHBondContact O-N 2.89Å; V464-R466 PolarHBondContact O-N 3.27Å; V464-Q467 PolarHBondContact O-N 3.37Å; V464-Q467 VanDerWaalsContact O-N 3.16Å; V464-H468 PolarHBondContact O-CD2 3.46Å; V464-H468 VanDerWaalsContact O-CD2 3.3Å; V464-H468 PolarHBondContact O-N 3.38Å; V464-H468 VanDerWaalsContact O-N 3.09Å
465I66.3Low62Low50 Ų5064.9 Ų64.926%0.25631%0.309SS..Hα-helixtrans-60.4-44.3176.8-68.6163.5000111.2C461 K463 Q467 H468 L469 L473C461-I465 WeakPolarHBondContact O-CB 3.35Å; C461-I465 WeakPolarHBondContact O-CD1 3.48Å; C461-I465 WeakPolarHBondContact O-CG1 3.48Å; C461-I465 PolarHBondContact O-N 3.36Å; K463-I465 PolarHBondContact O-N 2.85Å; I465-Q467 VanDerWaalsContact C-N 3.31Å; I465-Q467 PolarHBondContact O-N 2.88Å; I465-H468 PolarHBondContact O-N 2.93Å; I465-L469 HydrophobicContact CG2-CD1 4.35Å; I465-L469 WeakPolarHBondContact O-CB 3.32Å; I465-L469 PolarHBondContact O-N 3.01Å; I465-L473 HydrophobicContact CG2-CD1 3.75Å; I465-L473 HydrophobicContact CG2-CG 4.34Å
466R63.7Low62.3Low21 Ų2163.4 Ų63.48%0.07930%0.304CS..Hα-helixtrans-61.9-37.4175.7-67.2159-167.8158.6-1.8112.4N310 Y311 D312 R462 K463 V464 G470 F471N310-R466 PolarHBondContact O-NE 3.38Å; N310-R466 PolarHBondContact O-NH2 2.95Å; Y311-R466 VanDerWaalsContact C-NH2 3.29Å; Y311-R466 PolarHBondContact O-NH2 2.9Å; D312-R466 VanDerWaalsContact CG-NH1 3.34Å; D312-R466 IonicContact OD1-CZ 2.72Å; D312-R466 IonicContact OD1-NH1 3.59Å; D312-R466 PolarHBondContact OD1-NH1 2.9Å; D312-R466 IonicContact OD1-NH2 2.73Å; R462-R466 VanDerWaalsContact O-CD 3.32Å; R462-R466 WeakPolarHBondContact O-CD 3.35Å; R462-R466 WeakPolarHBondContact O-CG 3.21Å; R462-R466 PolarHBondContact O-N 2.98Å; K463-R466 PolarHBondContact O-N 3.27Å; V464-R466 PolarHBondContact O-N 3.27Å; R466-G470 VanDerWaalsContact O-CA 3.3Å; R466-G470 WeakPolarHBondContact O-CA 3.45Å; R466-G470 PolarHBondContact O-N 3.47Å; R466-F471 HydrophobicContact CG-CE1 4.43Å
467Q65.8Low62.3Low130 Ų13067.3 Ų67.361%0.60732%0.324SS*.Hα-helixtrans-69.5-32.8179.7-72.8-178.8-79.600112.9K463 V464 I465K463-Q467 WeakPolarHBondContact O-CG 3.46Å; K463-Q467 PolarHBondContact O-N 3.11Å; V464-Q467 PolarHBondContact O-N 3.37Å; V464-Q467 VanDerWaalsContact O-N 3.16Å; I465-Q467 VanDerWaalsContact C-N 3.31Å; I465-Q467 PolarHBondContact O-N 2.88Å
468H63.3Low62.3Low145 Ų14571.5 Ų71.567%0.67135%0.353SS*.Hα-helixtrans-93.8-34.6179.3-70.6-69.4000114.5V464 I465V464-H468 PolarHBondContact O-CD2 3.46Å; V464-H468 VanDerWaalsContact O-CD2 3.3Å; V464-H468 PolarHBondContact O-N 3.38Å; V464-H468 VanDerWaalsContact O-N 3.09Å; I465-H468 PolarHBondContact O-N 2.93Å
469L61.6Low62.1Low37 Ų3774.3 Ų74.319%0.19437%0.369CS..Hα-helixtrans-121.8-5.6-169.6-53.1-175.6000114.4I465 L480I465-L469 HydrophobicContact CG2-CD1 4.35Å; I465-L469 WeakPolarHBondContact O-CB 3.32Å; I465-L469 PolarHBondContact O-N 3.01Å; L469-L480 HydrophobicContact CD1-CD2 3.64Å; L469-L480 HydrophobicContact CD1-CG 4.01Å
470G61.9Low61.8Low12 Ų1276.6 Ų76.612%0.12438%0.383CS..THydrogen-bonded Turntrans66.2-146.8-174.400000113.3R466R466-G470 VanDerWaalsContact O-CA 3.3Å; R466-G470 WeakPolarHBondContact O-CA 3.45Å; R466-G470 PolarHBondContact O-N 3.47Å
471F61Low60.9Low18 Ų1878.5 Ų78.58%0.07940%0.403CS..THydrogen-bonded Turntrans-96.9-5.2-173.2-59-78.8000114.8N276 Y278 Y311 R466 L473N276-F471 VanDerWaalsContact OD1-CD2 3.24Å; N276-F471 WeakPolarHBondContact OD1-CD2 3.44Å; N276-F471 VanDerWaalsContact OD1-CE2 3.29Å; N276-F471 WeakPolarHBondContact OD1-CE2 3.42Å; Y278-F471 AromaticContact CD1-CE2 3.56Å; Y278-F471 HydrophobicContact CD1-CE2 3.56Å; Y278-F471 AromaticContact CD1-CZ 3.64Å; Y278-F471 HydrophobicContact CD1-CZ 3.64Å; Y278-F471 HydrophobicContact CD2-CE2 4.43Å; Y278-F471 AromaticContact CE1-CE2 3.62Å; Y278-F471 HydrophobicContact CE1-CE2 3.62Å; Y278-F471 AromaticContact CE1-CZ 3.91Å; Y278-F471 HydrophobicContact CE1-CZ 3.91Å; Y278-F471 AromaticContact CG-CE2 3.97Å; Y278-F471 HydrophobicContact CG-CE2 3.97Å; Y278-F471 HydrophobicContact CG-CZ 4.33Å; Y311-F471 AromaticContact CD1-CD1 3.74Å; Y311-F471 HydrophobicContact CD1-CD1 3.74Å; Y311-F471 AromaticContact CD1-CE1 3.48Å; Y311-F471 HydrophobicContact CD1-CE1 3.48Å; Y311-F471 VanDerWaalsContact CD1-CE1 3.48Å; Y311-F471 HydrophobicContact CD1-CZ 4.15Å; Y311-F471 HydrophobicContact CD2-CD1 4.43Å; Y311-F471 AromaticContact CE1-CD1 3.49Å; Y311-F471 HydrophobicContact CE1-CD1 3.49Å; Y311-F471 VanDerWaalsContact CE1-CD1 3.49Å; Y311-F471 HydrophobicContact CE1-CD2 4.24Å; Y311-F471 AromaticContact CE1-CE1 3.43Å; Y311-F471 HydrophobicContact CE1-CE1 3.43Å; Y311-F471 VanDerWaalsContact CE1-CE1 3.43Å; Y311-F471 HydrophobicContact CE1-CE2 4.19Å; Y311-F471 AromaticContact CE1-CG 3.92Å; Y311-F471 HydrophobicContact CE1-CG 3.92Å; Y311-F471 AromaticContact CE1-CZ 3.81Å; Y311-F471 HydrophobicContact CE1-CZ 3.81Å; Y311-F471 HydrophobicContact CE2-CD1 4.23Å; Y311-F471 HydrophobicContact CE2-CG 4.5Å; Y311-F471 HydrophobicContact CG-CD1 4.2Å; Y311-F471 HydrophobicContact CG-CE1 4.25Å; Y311-F471 AromaticContact CZ-CD1 3.74Å; Y311-F471 AromaticContact CZ-CG 3.85Å; R466-F471 HydrophobicContact CG-CE1 4.43Å; F471-L473 PolarHBondContact O-N 2.93Å
472R58.6Low60.2Low115 Ų11583.7 Ų83.743%0.43443%0.426SS..  trans-98.452.8-175.9-65.2-156.5-172.7177.92.5113.2R273 I474 E475 S476R273-R472 PolarHBondContact O-NH2 3.32Å; R472-I474 PolarHBondContact O-N 3.32Å; R472-E475 HydrophobicContact CB-CB 4.39Å; R472-E475 VanDerWaalsContact CD-CD 3.49Å; R472-E475 WeakPolarHBondContact CD-OE2 3.42Å; R472-E475 IonicContact CZ-OE1 3.98Å; R472-E475 IonicContact CZ-OE2 3.6Å; R472-E475 IonicContact NE-OE2 3.73Å; R472-E475 IonicContact NH1-OE1 3.6Å; R472-E475 PolarHBondContact NH1-OE1 3.03Å; R472-E475 IonicContact NH1-OE2 3.23Å; R472-E475 PolarHBondContact NH1-OE2 2.86Å; R472-E475 PolarHBondContact O-N 2.92Å; R472-S476 PolarHBondContact O-N 3.29Å; R472-S476 PolarHBondContact O-OG 3.41Å; R472-S476 VanDerWaalsContact O-OG 3.13Å
473L58.5Low59.4Low55 Ų5587.9 Ų87.929%0.28846%0.458SS..THydrogen-bonded Turntrans-49.7-35.7-169.9-165.3148.9000114.7N310 I465 F471 S476 L477N310-L473 HydrophobicContact CB-CD1 4.31Å; I465-L473 HydrophobicContact CG2-CD1 3.75Å; I465-L473 HydrophobicContact CG2-CG 4.34Å; F471-L473 PolarHBondContact O-N 2.93Å; L473-S476 WeakPolarHBondContact CA-OG 3.31Å; L473-S476 PolarHBondContact O-OG 3.15Å; L473-L477 HydrophobicContact CD2-CD1 3.92Å; L473-L477 PolarHBondContact O-N 3.01Å
474I56.7Low58.8Low145 Ų14588.2 Ų88.274%0.74447%0.469SS*.THydrogen-bonded Turntrans-71.2-40.7-180-58.8172.3000112.1R472R472-I474 PolarHBondContact O-N 3.32Å
475E59.5Low58.1Low130 Ų13090.1 Ų90.161%0.60748%0.484SS*.THydrogen-bonded Turntrans-74.2-31-179.2-65.9174.8-164.800111.5R472R472-E475 HydrophobicContact CB-CB 4.39Å; R472-E475 VanDerWaalsContact CD-CD 3.49Å; R472-E475 WeakPolarHBondContact CD-OE2 3.42Å; R472-E475 IonicContact CZ-OE1 3.98Å; R472-E475 IonicContact CZ-OE2 3.6Å; R472-E475 IonicContact NE-OE2 3.73Å; R472-E475 IonicContact NH1-OE1 3.6Å; R472-E475 PolarHBondContact NH1-OE1 3.03Å; R472-E475 IonicContact NH1-OE2 3.23Å; R472-E475 PolarHBondContact NH1-OE2 2.86Å; R472-E475 PolarHBondContact O-N 2.92Å
476S59.2Low57.7Low15 Ų1590.9 Ų90.911%0.10549%0.489CS..SBendtrans-88.5-5.2-178.455.30000115R472 L473 P478 L479R472-S476 PolarHBondContact O-N 3.29Å; R472-S476 PolarHBondContact O-OG 3.41Å; R472-S476 VanDerWaalsContact O-OG 3.13Å; L473-S476 WeakPolarHBondContact CA-OG 3.31Å; L473-S476 PolarHBondContact O-OG 3.15Å; S476-P478 VanDerWaalsContact C-CD 3.4Å; S476-P478 VanDerWaalsContact C-N 3.34Å; S476-L479 WeakPolarHBondContact O-CB 3.38Å; S476-L479 PolarHBondContact O-N 2.87Å
477L59.4Low57.1Low95 Ų9597.4 Ų97.450%0.49752%0.518SS..G310 helixtrans-53.3-38.6-173.5-146.5102.9000114.6L473 L479 L480L473-L477 HydrophobicContact CD2-CD1 3.92Å; L473-L477 PolarHBondContact O-N 3.01Å; L477-L479 PolarHBondContact O-N 3.13Å; L477-L480 HydrophobicContact CD1-CD1 4.47Å; L477-L480 HydrophobicContact CG-CD1 4.12Å; L477-L480 PolarHBondContact O-N 3.33Å
478P63.4Low56.3Low116 Ų11696.7 Ų96.775%0.75352%0.518SS*.G310 helixtrans-69.3-11177.7-20.634.4000115.1S476S476-P478 VanDerWaalsContact C-CD 3.4Å; S476-P478 VanDerWaalsContact C-N 3.34Å
479L57.3Low55.9Low137 Ų13792.8 Ų92.872%0.71750%0.499SS*.G310 helixtrans-101.38.3-177.6-60173.4000112.7S476 L477S476-L479 WeakPolarHBondContact O-CB 3.38Å; S476-L479 PolarHBondContact O-N 2.87Å; L477-L479 PolarHBondContact O-N 3.13Å
480L52.8Low55.4Low89 Ų8995.1 Ų95.147%0.46651%0.512SS..PPolyproline II helixtrans-65.4127.5177.5-83.7165000111.1L469 L477L469-L480 HydrophobicContact CD1-CD2 3.64Å; L469-L480 HydrophobicContact CD1-CG 4.01Å; L477-L480 HydrophobicContact CD1-CD1 4.47Å; L477-L480 HydrophobicContact CG-CD1 4.12Å; L477-L480 PolarHBondContact O-N 3.33Å
481P48.1Very low55Low99 Ų9997.8 Ų97.864%0.64352%0.523SS*.PPolyproline II helixtrans-65.3150.4168.829-34.2000110.5
482I50.4Low54.7Low157 Ų15799 Ų9981%0.80553%0.529SS*.PPolyproline II helixtrans-56.3130.6178.5-57174.4000109V484I482-V484 PolarHBondContact O-N 3.01Å; I482-V484 VanDerWaalsContact O-N 3.1Å
483P50.8Low53.9Low124 Ų124102 Ų10281%0.80554%0.541SS*.  trans-62.9115.6-175.723.9-34000111.6
484V51.2Low53.4Low123 Ų123104.3 Ų104.375%0.74555%0.554SS**  trans-68137.9173.1-175.60000109I482I482-V484 PolarHBondContact O-N 3.01Å; I482-V484 VanDerWaalsContact O-N 3.1Å
485S51.5Low53.1Low79 Ų7999.4 Ų99.455%0.55253%0.528SS*.  trans-68140.8-179.361.20000111.6K487S485-K487 PolarHBondContact O-N 3.34Å
486L56.6Low52.5Low66 Ų6697 Ų9735%0.34652%0.52SS..G310 helixtrans-71.619.5-175.3-69.3163.6000114.3L457 D488 F489 L491 I524L457-L486 HydrophobicContact CD1-CD2 4.47Å; L457-L486 HydrophobicContact CD2-CD1 4.49Å; L486-D488 PolarHBondContact O-N 3.39Å; L486-D488 VanDerWaalsContact O-N 3.16Å; L486-F489 HydrophobicContact CD2-CD2 3.98Å; L486-F489 PolarHBondContact O-N 2.87Å; L486-F489 VanDerWaalsContact O-N 3.08Å; L486-L491 HydrophobicContact CB-CD1 4.17Å; L486-L491 HydrophobicContact CD1-CD1 4.02Å; L486-L491 HydrophobicContact CD1-CD2 4.37Å; L486-I524 HydrophobicContact CD2-CD1 4.25Å
487K51.5Low52Low159 Ų15998.4 Ų98.469%0.69152%0.523SS*.G310 helixtrans-58.9-27.6-174.855.8159.1-166166.10114.2S485 F489S485-K487 PolarHBondContact O-N 3.34Å; K487-F489 VanDerWaalsContact C-N 3.33Å
488D49.8Very low51.3Low115 Ų11596 Ų9662%0.61551%0.513SS*.G310 helixtrans-92.84-176.5-51.3-45.9000112L486L486-D488 PolarHBondContact O-N 3.39Å; L486-D488 VanDerWaalsContact O-N 3.16Å
489F54Low50.4Low62 Ų6296.6 Ų96.627%0.27251%0.509SS..SBendtrans-121.3134-179.5-64.6-83.1000111.9W460 L486 K487 L491 I524W460-F489 HydrophobicContact CH2-CE2 4.22Å; W460-F489 AromaticContact CH2-CZ 3.89Å; W460-F489 HydrophobicContact CH2-CZ 3.89Å; W460-F489 HydrophobicContact CZ2-CE1 4.13Å; W460-F489 AromaticContact CZ2-CZ 3.74Å; W460-F489 HydrophobicContact CZ2-CZ 3.74Å; L486-F489 HydrophobicContact CD2-CD2 3.98Å; L486-F489 PolarHBondContact O-N 2.87Å; L486-F489 VanDerWaalsContact O-N 3.08Å; K487-F489 VanDerWaalsContact C-N 3.33Å; F489-L491 PolarHBondContact O-N 2.76Å; F489-I524 HydrophobicContact CB-CD1 3.9Å; F489-I524 HydrophobicContact CB-CG1 3.85Å; F489-I524 HydrophobicContact CD1-CD1 3.54Å; F489-I524 HydrophobicContact CD1-CG1 3.86Å; F489-I524 HydrophobicContact CD2-CD1 4.19Å; F489-I524 HydrophobicContact CE1-CD1 4.02Å; F489-I524 HydrophobicContact CG-CD1 3.63Å; F489-I524 HydrophobicContact CG-CG1 4.03Å
490L50.7Low49.7Very low87 Ų8795.9 Ų95.946%0.45550%0.498SS..EExtended strand (participates in β ladder)trans-71.5121.9165.8-95.1157.9000109.4Y448 I525Y448-L490 HydrophobicContact CE1-CD1 3.96Å; L490-I525 HydrophobicContact CB-CB 3.96Å; L490-I525 HydrophobicContact CB-CD1 3.6Å; L490-I525 HydrophobicContact CB-CG1 3.78Å; L490-I525 HydrophobicContact CD1-CD1 4.25Å; L490-I525 HydrophobicContact CG-CD1 4.4Å; L490-I525 WeakPolarHBondContact O-CG1 3.44Å; L490-I525 PolarHBondContact O-N 3.45Å
491L54.5Low48.9Very low68 Ų6897.4 Ų97.436%0.35651%0.506SS..EExtended strand (participates in β ladder)trans-101.1117171.7-68173.6000109.1L457 L486 F489 L522 I524L457-L491 HydrophobicContact CD1-CD2 4.41Å; L457-L491 HydrophobicContact CD2-CD2 4.23Å; L486-L491 HydrophobicContact CB-CD1 4.17Å; L486-L491 HydrophobicContact CD1-CD1 4.02Å; L486-L491 HydrophobicContact CD1-CD2 4.37Å; F489-L491 PolarHBondContact O-N 2.76Å; L491-L522 HydrophobicContact CB-CD2 4.32Å; L491-I524 HydrophobicContact CD2-CB 4.37Å; L491-I524 HydrophobicContact CD2-CG1 4.33Å
492L53.1Low48.3Very low42 Ų4299.3 Ų99.322%0.2251%0.51CS..EExtended strand (participates in β ladder)trans-90.3122.7167.9-63.4173.8000108.2V454 I495 L522 A523 I525V454-L492 HydrophobicContact CG1-CD1 4.42Å; L492-I495 HydrophobicContact CB-CD1 3.84Å; L492-I495 HydrophobicContact CB-CG1 4.09Å; L492-I495 HydrophobicContact CD1-CD1 3.91Å; L492-L522 CarbonylContact O-C 3.58Å; L492-L522 WeakPolarHBondContact O-CA 3.42Å; L492-A523 HydrophobicContact CB-CB 4.33Å; L492-A523 PolarHBondContact N-O 3.16Å; L492-A523 PolarHBondContact O-N 2.96Å; L492-I525 HydrophobicContact CD1-CD1 3.7Å; L492-I525 HydrophobicContact CD1-CG1 3.84Å; L492-I525 HydrophobicContact CD2-CD1 3.92Å; L492-I525 HydrophobicContact CG-CD1 3.63Å; L492-I525 HydrophobicContact CG-CG1 3.81Å
493R43.1Very low47.4Very low180 Ų18095 Ų9568%0.67951%0.505SS*.  trans-104.5155171-162-166.6164147.12.6108.7I495 L522R493-I495 PolarHBondContact O-N 2.74Å; R493-L522 HydrophobicContact CB-CD2 3.96Å; R493-L522 HydrophobicContact CG-CD2 4.04Å
494D47.4Very low46.4Very low103 Ų10396.3 Ų96.355%0.55151%0.505SS*.  trans59.942.1169.4-46.6-48.8000113.7D496 G520D494-D496 PolarHBondContact O-N 3.18Å; D494-G520 WeakPolarHBondContact OD1-CA 3.41Å
495I50.5Low45.5Very low41 Ų4198.1 Ų98.121%0.2151%0.511CS..  trans-71.8113.1168.7-59.4-177.5000109.3L492 R493 W497 A523L492-I495 HydrophobicContact CB-CD1 3.84Å; L492-I495 HydrophobicContact CB-CG1 4.09Å; L492-I495 HydrophobicContact CD1-CD1 3.91Å; R493-I495 PolarHBondContact O-N 2.74Å; I495-W497 HydrophobicContact CD1-CZ2 4.39Å; I495-W497 HydrophobicContact CG2-CD2 4.02Å; I495-W497 HydrophobicContact CG2-CG 4.34Å; I495-W497 HydrophobicContact CG2-CZ2 4.13Å; I495-W497 PolarHBondContact O-N 3.16Å; I495-A523 HydrophobicContact CD1-CB 3.6Å
496D47Very low44.5Very low80 Ų80102.9 Ų102.943%0.42852%0.524SS..  trans-78.498.8171-173.92.1000111.3D494 S498D494-D496 PolarHBondContact O-N 3.18Å; D496-S498 PolarHBondContact O-N 3.29Å; D496-S498 WeakPolarHBondContact OD1-CB 3.35Å; D496-S498 PolarHBondContact OD1-N 3.14Å; D496-S498 PolarHBondContact OD1-OG 3.07Å; D496-S498 PolarHBondContact OD2-OG 3.06Å
497W49.2Very low43.2Very low45 Ų45106.1 Ų106.117%0.1754%0.542CS..THydrogen-bonded Turntrans-70.5-9.2177.8-65.7101.5000114.5T390 I495 I499 Y500T390-W497 HydrophobicContact CG2-CE3 4.43Å; T390-W497 HydrophobicContact CG2-CZ3 3.89Å; I495-W497 HydrophobicContact CD1-CZ2 4.39Å; I495-W497 HydrophobicContact CG2-CD2 4.02Å; I495-W497 HydrophobicContact CG2-CG 4.34Å; I495-W497 HydrophobicContact CG2-CZ2 4.13Å; I495-W497 PolarHBondContact O-N 3.16Å; W497-I499 PolarHBondContact O-N 3.23Å; W497-Y500 AromaticContact CE3-CD2 3.7Å; W497-Y500 HydrophobicContact CE3-CD2 3.7Å; W497-Y500 HydrophobicContact CE3-CE2 4.01Å; W497-Y500 HydrophobicContact CE3-CG 4.41Å; W497-Y500 HydrophobicContact CZ3-CD2 4.18Å; W497-Y500 HydrophobicContact CZ3-CE2 4.14Å; W497-Y500 PolarHBondContact O-N 3.15Å
498S43.7Very low42.3Very low43 Ų43107.4 Ų107.430%0.30155%0.55SS..Hα-helixtrans-59-31.9179.7710000112.8D496 Y500 L501 N502D496-S498 PolarHBondContact O-N 3.29Å; D496-S498 WeakPolarHBondContact OD1-CB 3.35Å; D496-S498 PolarHBondContact OD1-N 3.14Å; D496-S498 PolarHBondContact OD1-OG 3.07Å; D496-S498 PolarHBondContact OD2-OG 3.06Å; S498-Y500 PolarHBondContact O-N 3.33Å; S498-L501 PolarHBondContact O-N 3.32Å; S498-L501 VanDerWaalsContact O-N 3.07Å; S498-N502 PolarHBondContact O-N 3.2Å
499I45.9Very low41.3Very low129 Ų129108.8 Ų108.866%0.66256%0.557SS**Hα-helixtrans-58.7-31.8177.6-57174.4000111.8W497W497-I499 PolarHBondContact O-N 3.23Å
500Y41.8Very low40.1Very low122 Ų122112.8 Ų112.848%0.47858%0.582SS.*Hα-helixtrans-84-18.1179.2-68.6-84.1000113.8T390 L392 W497 S498T390-Y500 HydrophobicContact CG2-CD1 4.14Å; T390-Y500 HydrophobicContact CG2-CG 4.33Å; L392-Y500 HydrophobicContact CD2-CE1 3.96Å; W497-Y500 AromaticContact CE3-CD2 3.7Å; W497-Y500 HydrophobicContact CE3-CD2 3.7Å; W497-Y500 HydrophobicContact CE3-CE2 4.01Å; W497-Y500 HydrophobicContact CE3-CG 4.41Å; W497-Y500 HydrophobicContact CZ3-CD2 4.18Å; W497-Y500 HydrophobicContact CZ3-CE2 4.14Å; W497-Y500 PolarHBondContact O-N 3.15Å; S498-Y500 PolarHBondContact O-N 3.33Å
501L35.7Very low39.1Very low121 Ų121114.5 Ų114.563%0.63460%0.596SS**Hα-helixtrans-88.8-33.4-177.1-74169.5000112.6S498 G503S498-L501 PolarHBondContact O-N 3.32Å; S498-L501 VanDerWaalsContact O-N 3.07Å; L501-G503 PolarHBondContact O-N 2.93Å; L501-G503 VanDerWaalsContact O-N 3.15Å
502N35.1Very low37.8Very low139 Ų139118.6 Ų118.674%0.74362%0.618SS**THydrogen-bonded Turntrans-82.320.8-176.8-78.9-2.2000114.9S498 N504S498-N502 PolarHBondContact O-N 3.2Å; N502-N504 PolarHBondContact O-N 3.09Å
503G32.8Very low36.5Very low68 Ų68129 Ų12970%0.70165%0.654SS**THydrogen-bonded Turntrans-65.4-16.1179.200000115.3L501L501-G503 PolarHBondContact O-N 2.93Å; L501-G503 VanDerWaalsContact O-N 3.15Å
504N28.7Very low35.8Very low150 Ų150125 Ų12580%0.80265%0.654SS**SBendtrans-132.491.9177-85.7-19.5000110.9N502N502-N504 PolarHBondContact O-N 3.09Å
505N32.1Very low34.8Very low161 Ų161124.9 Ų124.986%0.86166%0.662SS**  trans-175.7110.6140.3-95.8-20.3000110.5
506H30.8Very low34Very low179 Ų179129.2 Ų129.283%0.82968%0.684SS**  trans-77.6146.6160-97.7-76.1000109.6
507N30.2Very low33.3Very low135 Ų135132.4 Ų132.472%0.72270%0.699SS**  trans63.8106.4173.7-50.1-16.9000113.7
508H33.2Very low32.7Very low185 Ų185134.6 Ų134.686%0.85671%0.714SS**  -160.5158.276.4-110.4-90.1000114.3N510H508-N510 PolarHBondContact O-N 3.3Å
509N28.9Very low32.4Very low144 Ų144137.3 Ų137.377%0.7773%0.733SS**  trans-70.1120.8165.9-61.5-25.8000110.3
510N28.4Very low32.3Very low147 Ų147132.7 Ų132.779%0.78672%0.717SS**  -178.7157.1104.4-100.9-16.8000114.5H508 N512H508-N510 PolarHBondContact O-N 3.3Å; N510-N512 PolarHBondContact O-N 2.97Å
511T28.6Very low32.6Very low122 Ų122129.3 Ų129.375%0.74871%0.706SS**  trans-33.2111.5167.450.80000115.9
512N27.8Very low33.5Very low155 Ų155127 Ų12783%0.82969%0.694SS**  trans-154.2114.6136-106.8-31.2000110.8N510 S514N510-N512 PolarHBondContact O-N 2.97Å; N512-S514 PolarHBondContact O-N 2.77Å; N512-S514 VanDerWaalsContact O-N 3.16Å
513R26.1Very low34.5Very low259 Ų259120.6 Ų120.698%0.97766%0.66SS**  trans-82.879.8172.2-77.4179.3170.1168-4.3109.4
514S27.3Very low35.8Very low96 Ų96117.3 Ų117.367%0.67163%0.627SS**  trans-80117.216044.80000109N512 I516N512-S514 PolarHBondContact O-N 2.77Å; N512-S514 VanDerWaalsContact O-N 3.16Å; S514-I516 PolarHBondContact O-N 2.92Å
515S27.5Very low36.9Very low102 Ų102110.6 Ų110.671%0.71359%0.59SS**  trans-73.487179.956.50000111I517S515-I517 VanDerWaalsContact C-N 3.27Å; S515-I517 PolarHBondContact O-N 3.24Å
516I33Very low37.8Very low131 Ų131104 Ų10467%0.67256%0.556SS**  trans-72.790.8164.1-59.6178.8000107.2S514 N518S514-I516 PolarHBondContact O-N 2.92Å; I516-N518 PolarHBondContact O-N 3.33Å
517I31.8Very low38.3Very low148 Ų14899.3 Ų99.376%0.75954%0.542SS*.  trans-74.480.7170-57170.3000106.7S515 S519S515-I517 VanDerWaalsContact C-N 3.27Å; S515-I517 PolarHBondContact O-N 3.24Å; I517-S519 PolarHBondContact O-N 3.13Å; I517-S519 VanDerWaalsContact O-N 3.09Å
518N37.8Very low39Very low90 Ų90101.1 Ų101.148%0.48156%0.558SS.*  trans-63110.4166.7-88.2-17.9000107.8I516 G520I516-N518 PolarHBondContact O-N 3.33Å; N518-G520 PolarHBondContact O-N 3.2Å
519S37.1Very low39.3Very low100 Ų10097 Ų9770%0.69954%0.543SS*.  trans-58.5126.6177.750.20000110.3I517 E521I517-S519 PolarHBondContact O-N 3.13Å; I517-S519 VanDerWaalsContact O-N 3.09Å; S519-E521 PolarHBondContact O-N 2.98Å
520G43.2Very low39.9Very low32 Ų3294.5 Ų94.533%0.3353%0.531SS..  trans-6494.6-174.900000113.4D494 N518D494-G520 WeakPolarHBondContact OD1-CA 3.41Å; N518-G520 PolarHBondContact O-N 3.2Å
521E48.4Very low40.5Very low51 Ų5191.6 Ų91.624%0.23852%0.517CS..PPolyproline II helixtrans-60.6143.1167.2-70.3-155.9160.800110.6S519S519-E521 PolarHBondContact O-N 2.98Å
522L54.7Low41.2Very low74 Ų7489.8 Ų89.839%0.38750%0.503SS..PPolyproline II helixtrans-82.4116.8168.1-73.4162000108.9L457 L491 L492 R493L457-L522 HydrophobicContact CB-CB 4.2Å; L457-L522 WeakPolarHBondContact CB-O 3.49Å; L457-L522 HydrophobicContact CD2-CB 3.93Å; L457-L522 HydrophobicContact CD2-CD1 4.24Å; L457-L522 PolarHBondContact N-O 3.22Å; L491-L522 HydrophobicContact CB-CD2 4.32Å; L492-L522 CarbonylContact O-C 3.58Å; L492-L522 WeakPolarHBondContact O-CA 3.42Å; R493-L522 HydrophobicContact CB-CD2 3.96Å; R493-L522 HydrophobicContact CG-CD2 4.04Å
523A56.7Low42Very low3 Ų385.7 Ų85.73%0.02548%0.483CS..EExtended strand (participates in β ladder)trans-96.2140.2164.800000109.8V454 K455 L492 I495V454-A523 HydrophobicContact CG1-CB 3.81Å; K455-A523 CarbonylContact O-C 3.59Å; K455-A523 VanDerWaalsContact O-CA 3.3Å; K455-A523 WeakPolarHBondContact O-CA 3.23Å; K455-A523 WeakPolarHBondContact O-CB 3.4Å; L492-A523 HydrophobicContact CB-CB 4.33Å; L492-A523 PolarHBondContact N-O 3.16Å; L492-A523 PolarHBondContact O-N 2.96Å; I495-A523 HydrophobicContact CD1-CB 3.6Å
524I59.4Low43.1Very low0 Ų074.1 Ų74.10%045%0.45CS..EExtended strand (participates in β ladder)trans-102.9128.9176.6-166.9176.7000108.8K455 L457 W460 L486 F489 L491 V526K455-I524 HydrophobicContact CB-CG2 4.38Å; K455-I524 PolarHBondContact N-O 3.29Å; K455-I524 PolarHBondContact O-N 3.14Å; L457-I524 HydrophobicContact CB-CB 4.38Å; L457-I524 HydrophobicContact CB-CG2 4.47Å; L457-I524 HydrophobicContact CD1-CB 3.97Å; L457-I524 HydrophobicContact CD1-CD1 3.82Å; L457-I524 HydrophobicContact CD1-CG1 4.37Å; L457-I524 HydrophobicContact CD1-CG2 4.23Å; W460-I524 HydrophobicContact CB-CG2 3.68Å; W460-I524 HydrophobicContact CD2-CD1 4.08Å; W460-I524 HydrophobicContact CD2-CG2 4.45Å; W460-I524 HydrophobicContact CE3-CD1 3.97Å; W460-I524 HydrophobicContact CG-CG2 3.96Å; W460-I524 HydrophobicContact CZ3-CD1 4.23Å; L486-I524 HydrophobicContact CD2-CD1 4.25Å; F489-I524 HydrophobicContact CB-CD1 3.9Å; F489-I524 HydrophobicContact CB-CG1 3.85Å; F489-I524 HydrophobicContact CD1-CD1 3.54Å; F489-I524 HydrophobicContact CD1-CG1 3.86Å; F489-I524 HydrophobicContact CD2-CD1 4.19Å; F489-I524 HydrophobicContact CE1-CD1 4.02Å; F489-I524 HydrophobicContact CG-CD1 3.63Å; F489-I524 HydrophobicContact CG-CG1 4.03Å; L491-I524 HydrophobicContact CD2-CB 4.37Å; L491-I524 HydrophobicContact CD2-CG1 4.33Å; I524-V526 HydrophobicContact CG1-CG2 4.37Å; I524-V526 HydrophobicContact CG2-CG2 3.79Å
525I52.3Low44.2Very low8 Ų872.6 Ų72.64%0.04143%0.434CS..EExtended strand (participates in β ladder)trans-90.9107.1177.3-37.9-174.7000107.6L452 V454 L490 L492L452-I525 HydrophobicContact CB-CG2 3.33Å; L452-I525 HydrophobicContact CD1-CG2 3.67Å; L452-I525 HydrophobicContact CD2-CB 4.08Å; L452-I525 HydrophobicContact CD2-CG2 3.54Å; L452-I525 WeakPolarHBondContact CD2-O 3.31Å; L452-I525 HydrophobicContact CG-CG2 3.66Å; V454-I525 HydrophobicContact CG2-CG2 4.44Å; L490-I525 HydrophobicContact CB-CB 3.96Å; L490-I525 HydrophobicContact CB-CD1 3.6Å; L490-I525 HydrophobicContact CB-CG1 3.78Å; L490-I525 HydrophobicContact CD1-CD1 4.25Å; L490-I525 HydrophobicContact CG-CD1 4.4Å; L490-I525 WeakPolarHBondContact O-CG1 3.44Å; L490-I525 PolarHBondContact O-N 3.45Å; L492-I525 HydrophobicContact CD1-CD1 3.7Å; L492-I525 HydrophobicContact CD1-CG1 3.84Å; L492-I525 HydrophobicContact CD2-CD1 3.92Å; L492-I525 HydrophobicContact CG-CD1 3.63Å; L492-I525 HydrophobicContact CG-CG1 3.81Å
526V50Low45.5Very low23 Ų2370.3 Ų70.314%0.13941%0.412CS..EExtended strand (participates in β ladder)trans-103.1122.4-169.5-170.20000111.2L452 K455 W460 I524L452-V526 WeakPolarHBondContact CA-O 3.45Å; L452-V526 WeakPolarHBondContact CB-O 3.15Å; L452-V526 VanDerWaalsContact CD2-C 3.48Å; K455-V526 HydrophobicContact CD-CG2 4.33Å; W460-V526 HydrophobicContact CG-CG2 4.35Å; I524-V526 HydrophobicContact CG1-CG2 4.37Å; I524-V526 HydrophobicContact CG2-CG2 3.79Å
527P41.1Very low46.6Very low81 Ų8165.3 Ų65.353%0.52639%0.391SS..  trans-64.9150177.526.6-33.4000110.9L452L452-P527 HydrophobicContact CD2-CB 4.29Å
528T46.1Very low47.9Very low173 Ų17357.7 Ų57.7100%1.06136%0.357SS*.  trans-81.50-177.851.70000112.1

Retrieved 528 of 528 residues in 231.2 ms (Link to these results)

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