A0A087YMV3_POEFO Loading...

FHF complex subunit HOOK interacting protein 2

AlphaFold DB , UniProt , Accession A0A087YMV3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 626 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
1M50Low60.1Low211 Ų211125 Ų125100%1.03963%0.63SS**  0-31.60-75.6-160.1-8400112.9S3 K4 F5M1-S3 PolarHBondContact O-N 3.09Å; M1-K4 PolarHBondContact O-N 3Å; M1-F5 PolarHBondContact O-N 3.49Å
2F52.2Low59.7Low181 Ų181118.3 Ų118.379%0.79461%0.609SS**Hα-helixtrans-60.7-40.1176.2-86.8-85.8000115.4K4 F5 T6F2-K4 VanDerWaalsContact C-N 3.29Å; F2-K4 PolarHBondContact O-N 3.49Å; F2-F5 WeakPolarHBondContact O-CB 3.45Å; F2-F5 PolarHBondContact O-N 3.45Å; F2-F5 VanDerWaalsContact O-N 3.07Å; F2-T6 PolarHBondContact O-N 3Å; F2-T6 PolarHBondContact O-OG1 3.1Å; F2-T6 VanDerWaalsContact O-OG1 3.05Å
3S55.1Low59.5Low98 Ų98116.7 Ų116.769%0.68561%0.607SS**Hα-helixtrans-67.5-28.3-179.180.80000113.9M1 S7M1-S3 PolarHBondContact O-N 3.09Å; S3-S7 WeakPolarHBondContact O-CB 3.39Å; S3-S7 PolarHBondContact O-N 3.4Å
4K62.6Low59Low154 Ų154117.5 Ų117.567%0.6761%0.607SS**Hα-helixtrans-71-35.8172.8-69-172.9176.3-174.30111M1 F2 S7 I8M1-K4 PolarHBondContact O-N 3Å; F2-K4 VanDerWaalsContact C-N 3.29Å; F2-K4 PolarHBondContact O-N 3.49Å; K4-S7 PolarHBondContact O-N 2.94Å; K4-I8 WeakPolarHBondContact O-CB 3.48Å; K4-I8 VanDerWaalsContact O-CD1 3.29Å; K4-I8 WeakPolarHBondContact O-CD1 3.44Å; K4-I8 WeakPolarHBondContact O-CG1 3.27Å; K4-I8 PolarHBondContact O-N 3.05Å
5F63.6Low58.6Low141 Ų141115 Ų11562%0.61861%0.61SS**Hα-helixtrans-68.2-41.2176-153.5-91.9000111.3M1 F2 I8 L9M1-F5 PolarHBondContact O-N 3.49Å; F2-F5 WeakPolarHBondContact O-CB 3.45Å; F2-F5 PolarHBondContact O-N 3.45Å; F2-F5 VanDerWaalsContact O-N 3.07Å; F5-I8 PolarHBondContact O-N 3.21Å; F5-L9 HydrophobicContact CD1-CD1 3.9Å; F5-L9 HydrophobicContact CE1-CD1 3.62Å; F5-L9 WeakPolarHBondContact O-CB 3.45Å; F5-L9 PolarHBondContact O-N 3.03Å
6T68.7Low58.1Low88 Ų88116.6 Ų116.654%0.5462%0.618SS.*Hα-helixtrans-64.2-41.4173.9-43.90000112.1F2 L9 Q10F2-T6 PolarHBondContact O-N 3Å; F2-T6 PolarHBondContact O-OG1 3.1Å; F2-T6 VanDerWaalsContact O-OG1 3.05Å; T6-L9 PolarHBondContact O-N 3.48Å; T6-Q10 WeakPolarHBondContact O-CB 3.15Å; T6-Q10 PolarHBondContact O-N 2.76Å
7S63.1Low57.2Low61 Ų61113.9 Ų113.943%0.42762%0.617SS.*Hα-helixtrans-66.1-36.51751460000112.7S3 K4 H11S3-S7 WeakPolarHBondContact O-CB 3.39Å; S3-S7 PolarHBondContact O-N 3.4Å; K4-S7 PolarHBondContact O-N 2.94Å; S7-H11 WeakPolarHBondContact O-CB 3.1Å; S7-H11 PolarHBondContact O-N 3.32Å
8I67.8Low56.7Low111 Ų111114.3 Ų114.357%0.56963%0.626SS**Hα-helixtrans-71.3-36.1175.3-68.6162.4000110.6K4 F5 A12K4-I8 WeakPolarHBondContact O-CB 3.48Å; K4-I8 VanDerWaalsContact O-CD1 3.29Å; K4-I8 WeakPolarHBondContact O-CD1 3.44Å; K4-I8 WeakPolarHBondContact O-CG1 3.27Å; K4-I8 PolarHBondContact O-N 3.05Å; F5-I8 PolarHBondContact O-N 3.21Å; I8-A12 WeakPolarHBondContact O-CB 3.42Å; I8-A12 PolarHBondContact O-N 3.05Å
9L59.6Low56.6Low97 Ų97114.3 Ų114.351%0.50864%0.635SS.*Hα-helixtrans-68.5-41.8174.4-128.6118.7000111.4F5 T6 A12 V13F5-L9 HydrophobicContact CD1-CD1 3.9Å; F5-L9 HydrophobicContact CE1-CD1 3.62Å; F5-L9 WeakPolarHBondContact O-CB 3.45Å; F5-L9 PolarHBondContact O-N 3.03Å; T6-L9 PolarHBondContact O-N 3.48Å; L9-A12 PolarHBondContact O-N 3.19Å; L9-V13 WeakPolarHBondContact O-CB 3.41Å; L9-V13 VanDerWaalsContact O-CG2 3.22Å; L9-V13 WeakPolarHBondContact O-CG2 3.37Å; L9-V13 PolarHBondContact O-N 3.4Å
10Q59.7Low56.9Low110 Ų110113.7 Ų113.751%0.51463%0.63SS.*Hα-helixtrans-62.6-46.6175.2-161.874.923.500110.8T6 A12 V13 E14T6-Q10 WeakPolarHBondContact O-CB 3.15Å; T6-Q10 PolarHBondContact O-N 2.76Å; Q10-A12 VanDerWaalsContact C-N 3.33Å; Q10-A12 PolarHBondContact O-N 3.5Å; Q10-V13 PolarHBondContact O-N 3.13Å; Q10-E14 WeakPolarHBondContact O-CB 3.35Å; Q10-E14 WeakPolarHBondContact O-CG 3.25Å; Q10-E14 PolarHBondContact O-N 3.12Å
11H58.9Low58.2Low123 Ų123111.8 Ų111.857%0.56962%0.623SS**Hα-helixtrans-66.4-32.1174.5-96.1-61.2000113.2S7 E14 A15S7-H11 WeakPolarHBondContact O-CB 3.1Å; S7-H11 PolarHBondContact O-N 3.32Å; H11-E14 IonicContact ND1-OE2 3.88Å; H11-A15 WeakPolarHBondContact O-CB 3.27Å; H11-A15 PolarHBondContact O-N 3.35Å
12A55.1Low60Low45 Ų45103.7 Ų103.737%0.37258%0.583SS.*Hα-helixtrans-73.6-34.1176.300000111.8I8 L9 Q10 A15 L16I8-A12 WeakPolarHBondContact O-CB 3.42Å; I8-A12 PolarHBondContact O-N 3.05Å; L9-A12 PolarHBondContact O-N 3.19Å; Q10-A12 VanDerWaalsContact C-N 3.33Å; Q10-A12 PolarHBondContact O-N 3.5Å; A12-A15 PolarHBondContact O-N 3.43Å; A12-L16 WeakPolarHBondContact O-CB 3.48Å; A12-L16 WeakPolarHBondContact O-CD1 3.21Å; A12-L16 WeakPolarHBondContact O-CG 3.45Å; A12-L16 PolarHBondContact O-N 3.22Å; A12-L16 VanDerWaalsContact O-N 3.1Å
13V57.7Low61.9Low97 Ų9798.7 Ų98.759%0.58856%0.562SS**Hα-helixtrans-69.4-38.5172.2169.90000110.8L9 Q10 A15L9-V13 WeakPolarHBondContact O-CB 3.41Å; L9-V13 VanDerWaalsContact O-CG2 3.22Å; L9-V13 WeakPolarHBondContact O-CG2 3.37Å; L9-V13 PolarHBondContact O-N 3.4Å; Q10-V13 PolarHBondContact O-N 3.13Å; V13-A15 VanDerWaalsContact C-N 3.33Å
14E52.3Low63.8Low128 Ų12899.3 Ų99.360%0.59856%0.555SS**Hα-helixtrans-72.8-22.2172.5-74.7170.6-179.200113.6Q10 H11Q10-E14 WeakPolarHBondContact O-CB 3.35Å; Q10-E14 WeakPolarHBondContact O-CG 3.25Å; Q10-E14 PolarHBondContact O-N 3.12Å; H11-E14 IonicContact ND1-OE2 3.88Å
15A52.2Low65.3Low80 Ų8094.6 Ų94.666%0.66154%0.536SS*.Hα-helixtrans-93.8-8.4179.400000114.1H11 A12 V13 A17H11-A15 WeakPolarHBondContact O-CB 3.27Å; H11-A15 PolarHBondContact O-N 3.35Å; A12-A15 PolarHBondContact O-N 3.43Å; V13-A15 VanDerWaalsContact C-N 3.33Å; A15-A17 PolarHBondContact O-N 2.77Å
16L50.5Low66.9Low140 Ų14087.9 Ų87.973%0.73351%0.507SS*.SBendtrans-9091.1176-78.4165.2000109.3A12A12-L16 WeakPolarHBondContact O-CB 3.48Å; A12-L16 WeakPolarHBondContact O-CD1 3.21Å; A12-L16 WeakPolarHBondContact O-CG 3.45Å; A12-L16 PolarHBondContact O-N 3.22Å; A12-L16 VanDerWaalsContact O-N 3.1Å
17A43.6Very low68.2Low72 Ų7284.7 Ų84.760%0.59549%0.488SS*.SBendtrans74.3124.2179.600000114.7A15 S19A15-A17 PolarHBondContact O-N 2.77Å; A17-S19 PolarHBondContact O-N 3.17Å
18P47.7Very low69.8Low120 Ų12088.8 Ų88.878%0.77950%0.495SS*.PPolyproline II helixtrans-54.4132.1160.824.7-30.6000107.3L20P18-L20 PolarHBondContact O-N 3.35Å; P18-L20 VanDerWaalsContact O-N 3.08Å
19S55.7Low71.2Confident114 Ų11484.5 Ų84.580%0.79747%0.472SS*.PPolyproline II helixtrans-48.4122.2173.253.60000107.7A17A17-S19 PolarHBondContact O-N 3.17Å
20L61.9Low73Confident103 Ų10380.9 Ų80.954%0.53945%0.452SS..PPolyproline II helixtrans-51.3144176.5-80.8101.2000108.6P18 L22 E24P18-L20 PolarHBondContact O-N 3.35Å; P18-L20 VanDerWaalsContact O-N 3.08Å; L20-L22 PolarHBondContact O-N 3.44Å; L20-E24 HydrophobicContact CB-CB 4.48Å; L20-E24 HydrophobicContact CD2-CB 4.07Å
21P84.9Confident74.7Confident74 Ų7481.8 Ų81.848%0.48145%0.454SS..PPolyproline II helixtrans-48.8132.3169.9-23.132000109.1Q23 E24 D25P21-Q23 PolarHBondContact O-N 3.28Å; P21-E24 HydrophobicContact CB-CG 4.27Å; P21-E24 HydrophobicContact CG-CG 4.26Å; P21-E24 WeakPolarHBondContact O-CB 3.3Å; P21-E24 PolarHBondContact O-N 3.26Å; P21-D25 PolarHBondContact O-N 2.87Å
22L88.1Confident76.3Confident41 Ų4177 Ų7722%0.21544%0.438CS..Hα-helixtrans-47.8-36.3-175.6-69175.9000112.6L20 D25 F26 I62 Q65 E66 C78L20-L22 PolarHBondContact O-N 3.44Å; L22-D25 PolarHBondContact O-N 2.62Å; L22-F26 WeakPolarHBondContact O-CB 3.12Å; L22-F26 PolarHBondContact O-N 3.28Å; L22-I62 HydrophobicContact CB-CG2 4.09Å; L22-I62 HydrophobicContact CD2-CG2 4.4Å; L22-Q65 HydrophobicContact CD1-CG 4.45Å; L22-E66 HydrophobicContact CD1-CB 4.32Å; L22-C78 VanDerWaalsContact C-SG 3.52Å
23Q92.1Very high78.2Confident75 Ų7574.8 Ų74.835%0.3542%0.42SS..Hα-helixtrans-64.1-40177.3-169.5-17737.100113.2P21 D25 F26 V27 P77 C78P21-Q23 PolarHBondContact O-N 3.28Å; Q23-D25 VanDerWaalsContact C-N 3.33Å; Q23-F26 PolarHBondContact O-N 3.48Å; Q23-V27 WeakPolarHBondContact O-CB 3.45Å; Q23-V27 WeakPolarHBondContact O-CG2 3.48Å; Q23-V27 PolarHBondContact O-N 3.36Å; Q23-P77 HydrophobicContact CB-CB 4.26Å; Q23-P77 HydrophobicContact CB-CG 4.47Å; Q23-P77 HydrophobicContact CG-CB 4.25Å; Q23-P77 PolarHBondContact NE2-O 3.4Å; Q23-C78 WeakPolarHBondContact CA-SG 3.36Å; Q23-C78 PolarHBondContact N-SG 3.49Å; Q23-C78 VanDerWaalsContact N-SG 3.39Å
24E93.5Very high79.8Confident112 Ų11272.2 Ų72.252%0.52340%0.404SS..Hα-helixtrans-66.3-39178.3-67.9-176.2-177.400111.1L20 P21 V27 Y28L20-E24 HydrophobicContact CB-CB 4.48Å; L20-E24 HydrophobicContact CD2-CB 4.07Å; P21-E24 HydrophobicContact CB-CG 4.27Å; P21-E24 HydrophobicContact CG-CG 4.26Å; P21-E24 WeakPolarHBondContact O-CB 3.3Å; P21-E24 PolarHBondContact O-N 3.26Å; E24-V27 PolarHBondContact O-N 2.92Å; E24-Y28 PolarHBondContact O-N 3.47Å
25D94.6Very high81.7Confident54 Ų5470.4 Ų70.429%0.28940%0.396SS..Hα-helixtrans-67.8-44176.6-160.517.5000111.5P21 L22 Q23 V27 Y28 H29 I62P21-D25 PolarHBondContact O-N 2.87Å; L22-D25 PolarHBondContact O-N 2.62Å; Q23-D25 VanDerWaalsContact C-N 3.33Å; D25-V27 VanDerWaalsContact C-N 3.29Å; D25-V27 PolarHBondContact O-N 2.7Å; D25-Y28 WeakPolarHBondContact O-CB 2.99Å; D25-Y28 PolarHBondContact O-N 2.99Å; D25-H29 PolarHBondContact O-CD2 2.9Å; D25-H29 VanDerWaalsContact O-CD2 3.23Å; D25-H29 PolarHBondContact O-N 3.26Å; D25-H29 IonicContact OD1-CD2 2.76Å; D25-H29 IonicContact OD1-NE2 3.73Å; D25-H29 PolarHBondContact OD1-NE2 2.74Å; D25-I62 HydrophobicContact CB-CD1 4.04Å
26F96.5Very high83.4Confident0 Ų068.2 Ų68.20%037%0.371CS..Hα-helixtrans-55.5-45.1172.6-177.1-91.9000112L22 Q23 Y28 H29 W30 M59 I62 L63 C78 Y81 L82 I87L22-F26 WeakPolarHBondContact O-CB 3.12Å; L22-F26 PolarHBondContact O-N 3.28Å; Q23-F26 PolarHBondContact O-N 3.48Å; F26-Y28 VanDerWaalsContact C-N 3.34Å; F26-H29 PolarHBondContact O-N 3.07Å; F26-W30 PolarHBondContact O-N 3.09Å; F26-M59 HydrophobicContact CD2-CB 4.15Å; F26-M59 HydrophobicContact CD2-CG 4.16Å; F26-M59 HydrophobicContact CE1-CE 3.97Å; F26-M59 HydrophobicContact CE2-CB 3.79Å; F26-M59 HydrophobicContact CE2-CE 3.69Å; F26-M59 HydrophobicContact CE2-CG 4Å; F26-M59 HydrophobicContact CZ-CE 3.36Å; F26-I62 HydrophobicContact CB-CD1 4.44Å; F26-I62 HydrophobicContact CB-CG2 4.08Å; F26-I62 HydrophobicContact CD2-CG2 4.37Å; F26-L63 HydrophobicContact CD2-CD2 4.3Å; F26-L63 HydrophobicContact CD2-CG 4.16Å; F26-L63 HydrophobicContact CE2-CD1 3.77Å; F26-L63 HydrophobicContact CE2-CD2 3.9Å; F26-L63 HydrophobicContact CE2-CG 3.69Å; F26-L63 HydrophobicContact CZ-CD1 4.38Å; F26-L63 HydrophobicContact CZ-CD2 4.44Å; F26-C78 HydrophobicContact CB-CB 4.28Å; F26-C78 HydrophobicContact CD2-CB 4.3Å; F26-C78 HydrophobicContact CG-CB 4.12Å; F26-Y81 HydrophobicContact CD1-CD1 4.05Å; F26-Y81 AromaticContact CE1-CD1 3.87Å; F26-Y81 HydrophobicContact CE1-CD1 3.87Å; F26-L82 HydrophobicContact CE1-CB 4.33Å; F26-L82 HydrophobicContact CZ-CB 4.02Å; F26-L82 HydrophobicContact CZ-CD1 4.13Å; F26-I87 HydrophobicContact CE1-CD1 3.68Å; F26-I87 HydrophobicContact CZ-CD1 4.09Å
27V96.6Very high85.2Confident22 Ų2264.8 Ų64.813%0.13335%0.348CS..Hα-helixtrans-66-37177.51720000111.5Q23 E24 D25 W30 K31 Y81Q23-V27 WeakPolarHBondContact O-CB 3.45Å; Q23-V27 WeakPolarHBondContact O-CG2 3.48Å; Q23-V27 PolarHBondContact O-N 3.36Å; E24-V27 PolarHBondContact O-N 2.92Å; D25-V27 VanDerWaalsContact C-N 3.29Å; D25-V27 PolarHBondContact O-N 2.7Å; V27-W30 PolarHBondContact O-N 3.26Å; V27-K31 HydrophobicContact CG1-CD 4.08Å; V27-K31 HydrophobicContact CG1-CG 4.4Å; V27-K31 WeakPolarHBondContact O-CB 2.99Å; V27-K31 VanDerWaalsContact O-CG 3.32Å; V27-K31 WeakPolarHBondContact O-CG 3.36Å; V27-K31 PolarHBondContact O-N 3.1Å; V27-Y81 HydrophobicContact CG2-CD1 4.11Å; V27-Y81 HydrophobicContact CG2-CD2 3.91Å; V27-Y81 HydrophobicContact CG2-CE1 3.82Å; V27-Y81 HydrophobicContact CG2-CE2 3.61Å; V27-Y81 HydrophobicContact CG2-CG 4.16Å
28Y96.4Very high87.2Confident147 Ų14767.8 Ų67.858%0.57635%0.353SS*.Hα-helixtrans-60-49.5174.7169.9-99.6000111.3E24 D25 F26 W30 K31 G32E24-Y28 PolarHBondContact O-N 3.47Å; D25-Y28 WeakPolarHBondContact O-CB 2.99Å; D25-Y28 PolarHBondContact O-N 2.99Å; F26-Y28 VanDerWaalsContact C-N 3.34Å; Y28-W30 PolarHBondContact O-N 3.37Å; Y28-K31 PolarHBondContact O-N 3.03Å; Y28-G32 PolarHBondContact O-N 3.43Å
29H97.3Very high88.8Confident20 Ų2068.6 Ų68.69%0.09335%0.346CS..Hα-helixtrans-64.1-41178.2-73.7-78.9000112.7D25 F26 K31 G32 I33 H55 Q58 M59D25-H29 PolarHBondContact O-CD2 2.9Å; D25-H29 VanDerWaalsContact O-CD2 3.23Å; D25-H29 PolarHBondContact O-N 3.26Å; D25-H29 IonicContact OD1-CD2 2.76Å; D25-H29 IonicContact OD1-NE2 3.73Å; D25-H29 PolarHBondContact OD1-NE2 2.74Å; F26-H29 PolarHBondContact O-N 3.07Å; H29-K31 VanDerWaalsContact C-N 3.35Å; H29-K31 PolarHBondContact O-N 3.44Å; H29-G32 PolarHBondContact O-N 2.69Å; H29-I33 PolarHBondContact O-N 2.9Å; H29-H55 HydrophobicContact CB-CB 4.27Å; H29-H55 AromaticContact CE1-ND1 3.97Å; H29-H55 AromaticContact CG-ND1 3.77Å; H29-H55 AromaticContact ND1-CE1 3.94Å; H29-H55 AromaticContact ND1-CG 3.89Å; H29-H55 AromaticContact ND1-ND1 3Å; H29-H55 PolarHBondContact ND1-ND1 3.37Å; H29-Q58 VanDerWaalsContact CE1-CB 3.44Å; H29-Q58 WeakPolarHBondContact CE1-CB 3.27Å; H29-M59 HydrophobicContact CB-CG 3.63Å; H29-M59 HydrophobicContact CB-SD 4.37Å
30W97.3Very high89.8Confident22 Ų2265.6 Ų65.68%0.08332%0.324CS..Hα-helixtrans-61.7-41.8174.8177.2-118000112.7F26 V27 Y28 G32 I33 T34 M59 I87 T90 L91F26-W30 PolarHBondContact O-N 3.09Å; V27-W30 PolarHBondContact O-N 3.26Å; Y28-W30 PolarHBondContact O-N 3.37Å; W30-G32 VanDerWaalsContact C-N 3.33Å; W30-G32 PolarHBondContact O-N 3.22Å; W30-I33 HydrophobicContact CE3-CD1 4.22Å; W30-I33 HydrophobicContact CZ3-CG2 4.48Å; W30-I33 PolarHBondContact O-N 3.41Å; W30-T34 HydrophobicContact CD2-CG2 4.28Å; W30-T34 HydrophobicContact CH2-CG2 4.15Å; W30-T34 HydrophobicContact CZ2-CG2 3.71Å; W30-T34 PolarHBondContact O-N 3.23Å; W30-T34 VanDerWaalsContact O-N 3.11Å; W30-T34 PolarHBondContact O-OG1 3.27Å; W30-M59 HydrophobicContact CB-CE 3.95Å; W30-M59 HydrophobicContact CB-SD 4.11Å; W30-M59 HydrophobicContact CD2-CE 4.35Å; W30-M59 HydrophobicContact CE3-CE 3.83Å; W30-M59 HydrophobicContact CE3-SD 4.14Å; W30-M59 HydrophobicContact CG-CE 4.44Å; W30-I87 HydrophobicContact CB-CD1 4.46Å; W30-I87 HydrophobicContact CD2-CD1 3.88Å; W30-I87 HydrophobicContact CD2-CG1 4.14Å; W30-I87 HydrophobicContact CD2-CG2 4.07Å; W30-I87 HydrophobicContact CE3-CD1 4.46Å; W30-I87 HydrophobicContact CE3-CG2 3.72Å; W30-I87 HydrophobicContact CG-CD1 3.85Å; W30-I87 HydrophobicContact CH2-CB 4.5Å; W30-I87 HydrophobicContact CH2-CG2 3.8Å; W30-I87 HydrophobicContact CZ2-CB 4.41Å; W30-I87 HydrophobicContact CZ2-CG1 4.14Å; W30-I87 HydrophobicContact CZ2-CG2 4.12Å; W30-I87 HydrophobicContact CZ3-CG2 3.6Å; W30-T90 HydrophobicContact CH2-CG2 3.79Å; W30-T90 HydrophobicContact CZ2-CG2 3.96Å; W30-L91 HydrophobicContact CH2-CD2 4.42Å; W30-L91 HydrophobicContact CH2-CG 4.33Å; W30-L91 HydrophobicContact CZ3-CD2 3.87Å; W30-L91 HydrophobicContact CZ3-CG 4.02Å
31K95.3Very high89.9Confident128 Ų12866.3 Ų66.356%0.55734%0.337SS*.Hα-helixtrans-62.2-40.7174-77.6176.9-179.7174.90111.3V27 Y28 H29 I33 T34 H35V27-K31 HydrophobicContact CG1-CD 4.08Å; V27-K31 HydrophobicContact CG1-CG 4.4Å; V27-K31 WeakPolarHBondContact O-CB 2.99Å; V27-K31 VanDerWaalsContact O-CG 3.32Å; V27-K31 WeakPolarHBondContact O-CG 3.36Å; V27-K31 PolarHBondContact O-N 3.1Å; Y28-K31 PolarHBondContact O-N 3.03Å; H29-K31 VanDerWaalsContact C-N 3.35Å; H29-K31 PolarHBondContact O-N 3.44Å; K31-I33 VanDerWaalsContact C-N 3.3Å; K31-I33 PolarHBondContact O-N 3.01Å; K31-T34 WeakPolarHBondContact CA-OG1 3.36Å; K31-T34 PolarHBondContact O-N 2.69Å; K31-T34 PolarHBondContact O-OG1 3.3Å; K31-T34 VanDerWaalsContact O-OG1 3.06Å; K31-H35 WeakPolarHBondContact O-CB 3.29Å; K31-H35 PolarHBondContact O-N 3.44Å
32G93.5Very high89.1Confident22 Ų2266.9 Ų66.923%0.22734%0.336CS..Hα-helixtrans-54.5-44.417500000113Y28 H29 W30 Y36Y28-G32 PolarHBondContact O-N 3.43Å; H29-G32 PolarHBondContact O-N 2.69Å; W30-G32 VanDerWaalsContact C-N 3.33Å; W30-G32 PolarHBondContact O-N 3.22Å; G32-Y36 PolarHBondContact O-N 3.29Å
33I94Very high88.2Confident0 Ų069.2 Ų69.20%035%0.349CS..Hα-helixtrans-64.2-51.8176.4-61.5167.9000110.8H29 W30 K31 H35 Y36 Y37 I52 H55 L56 M59H29-I33 PolarHBondContact O-N 2.9Å; W30-I33 HydrophobicContact CE3-CD1 4.22Å; W30-I33 HydrophobicContact CZ3-CG2 4.48Å; W30-I33 PolarHBondContact O-N 3.41Å; K31-I33 VanDerWaalsContact C-N 3.3Å; K31-I33 PolarHBondContact O-N 3.01Å; I33-H35 VanDerWaalsContact C-N 3.3Å; I33-H35 PolarHBondContact O-N 3.41Å; I33-Y36 WeakPolarHBondContact O-CB 3.18Å; I33-Y36 PolarHBondContact O-N 3.12Å; I33-Y37 HydrophobicContact CG2-CE2 4.29Å; I33-Y37 VanDerWaalsContact O-CD2 3.29Å; I33-Y37 WeakPolarHBondContact O-CD2 3.49Å; I33-I52 HydrophobicContact CG1-CG2 4.47Å; I33-I52 HydrophobicContact CG2-CG2 4.3Å; I33-H55 HydrophobicContact CD1-CB 3.89Å; I33-H55 HydrophobicContact CG1-CB 3.53Å; I33-L56 HydrophobicContact CD1-CD2 3.53Å; I33-L56 HydrophobicContact CD1-CG 3.73Å; I33-M59 HydrophobicContact CD1-SD 3.63Å
34T92.4Very high87.5Confident43 Ų4374.2 Ų74.226%0.26437%0.369SS..Hα-helixtrans-66.5-32-177.454.90000113W30 K31 Y36 Y37 I38W30-T34 HydrophobicContact CD2-CG2 4.28Å; W30-T34 HydrophobicContact CH2-CG2 4.15Å; W30-T34 HydrophobicContact CZ2-CG2 3.71Å; W30-T34 PolarHBondContact O-N 3.23Å; W30-T34 VanDerWaalsContact O-N 3.11Å; W30-T34 PolarHBondContact O-OG1 3.27Å; K31-T34 WeakPolarHBondContact CA-OG1 3.36Å; K31-T34 PolarHBondContact O-N 2.69Å; K31-T34 PolarHBondContact O-OG1 3.3Å; K31-T34 VanDerWaalsContact O-OG1 3.06Å; T34-Y36 VanDerWaalsContact C-N 3.34Å; T34-Y36 PolarHBondContact O-N 2.92Å; T34-Y37 PolarHBondContact O-N 2.95Å; T34-I38 WeakPolarHBondContact O-CG1 3.31Å; T34-I38 PolarHBondContact O-N 3.16Å
35H91.2Very high87.1Confident90 Ų9070.3 Ų70.342%0.41736%0.356SS..Hα-helixtrans-64.1-37.5177.5-166.9-122.9000112.5K31 I33 Y37 I38 E39K31-H35 WeakPolarHBondContact O-CB 3.29Å; K31-H35 PolarHBondContact O-N 3.44Å; I33-H35 VanDerWaalsContact C-N 3.3Å; I33-H35 PolarHBondContact O-N 3.41Å; H35-Y37 PolarHBondContact O-N 3.45Å; H35-I38 PolarHBondContact O-N 3.2Å; H35-E39 IonicContact CE1-OE1 3.01Å; H35-E39 PolarHBondContact CE1-OE1 2.75Å; H35-E39 IonicContact CE1-OE2 2.88Å; H35-E39 PolarHBondContact CE1-OE2 3.39Å; H35-E39 IonicContact ND1-OE2 3.25Å; H35-E39 PolarHBondContact ND1-OE2 3.19Å; H35-E39 IonicContact NE2-OE1 3.11Å; H35-E39 PolarHBondContact NE2-OE1 3.11Å; H35-E39 VanDerWaalsContact NE2-OE1 3.11Å; H35-E39 IonicContact NE2-OE2 2.99Å; H35-E39 PolarHBondContact O-N 2.65Å
36Y89.1Confident86.9Confident34 Ų3470.3 Ų70.313%0.13336%0.359CS..Hα-helixtrans-52.3-45.4173.2173.3-89.7000111.5G32 I33 T34 I38 T40 T50 I52 P100G32-Y36 PolarHBondContact O-N 3.29Å; I33-Y36 WeakPolarHBondContact O-CB 3.18Å; I33-Y36 PolarHBondContact O-N 3.12Å; T34-Y36 VanDerWaalsContact C-N 3.34Å; T34-Y36 PolarHBondContact O-N 2.92Å; Y36-I38 VanDerWaalsContact C-N 3.28Å; Y36-I38 PolarHBondContact O-N 2.82Å; Y36-T40 HydrophobicContact CD2-CG2 4.49Å; Y36-T40 WeakPolarHBondContact CD2-OG1 3.39Å; Y36-T40 HydrophobicContact CE2-CG2 3.85Å; Y36-T40 WeakPolarHBondContact O-CA 3.08Å; Y36-T40 WeakPolarHBondContact O-CB 3.28Å; Y36-T40 PolarHBondContact O-N 3.49Å; Y36-T40 PolarHBondContact O-OG1 2.84Å; Y36-T50 HydrophobicContact CD2-CG2 4.31Å; Y36-T50 HydrophobicContact CE2-CG2 3.49Å; Y36-T50 VanDerWaalsContact CE2-CG2 3.49Å; Y36-I52 HydrophobicContact CD1-CD1 3.6Å; Y36-I52 HydrophobicContact CD1-CG1 4.45Å; Y36-I52 HydrophobicContact CE1-CD1 3.9Å; Y36-I52 HydrophobicContact CG-CD1 3.96Å; Y36-I52 HydrophobicContact CG-CG1 4.34Å; Y36-P100 HydrophobicContact CE1-CG 3.93Å
37Y87.1Confident86.7Confident67 Ų6770.4 Ų70.426%0.26336%0.359SS..Hα-helixtrans-74.6-14.1179.6-69.2-84.2000114.5I33 T34 H35 I52 L94 C99 P100I33-Y37 HydrophobicContact CG2-CE2 4.29Å; I33-Y37 VanDerWaalsContact O-CD2 3.29Å; I33-Y37 WeakPolarHBondContact O-CD2 3.49Å; T34-Y37 PolarHBondContact O-N 2.95Å; H35-Y37 PolarHBondContact O-N 3.45Å; Y37-I52 HydrophobicContact CE2-CD1 3.99Å; Y37-L94 HydrophobicContact CD1-CD2 4.21Å; Y37-L94 HydrophobicContact CD2-CD1 4.35Å; Y37-L94 HydrophobicContact CD2-CD2 4.37Å; Y37-L94 HydrophobicContact CE1-CD2 3.87Å; Y37-L94 HydrophobicContact CE2-CD1 3.78Å; Y37-L94 HydrophobicContact CE2-CD2 4.09Å; Y37-L94 HydrophobicContact CE2-CG 4.48Å; Y37-L94 HydrophobicContact CG-CD2 4.44Å; Y37-C99 WeakPolarHBondContact CE1-O 3.5Å; Y37-C99 PolarHBondContact OH-O 3.45Å; Y37-P100 VanDerWaalsContact OH-CD 3.32Å; Y37-P100 WeakPolarHBondContact OH-CD 3.07Å
38I86.9Confident86.4Confident135 Ų13573.8 Ų73.869%0.69238%0.38SS*.Hα-helixtrans-89.8-41.3176.6-65.3166.9000110.2T34 H35 Y36T34-I38 WeakPolarHBondContact O-CG1 3.31Å; T34-I38 PolarHBondContact O-N 3.16Å; H35-I38 PolarHBondContact O-N 3.2Å; Y36-I38 VanDerWaalsContact C-N 3.28Å; Y36-I38 PolarHBondContact O-N 2.82Å
39E81.6Confident86.1Confident137 Ų13772.7 Ų72.764%0.6438%0.384SS*.Hα-helixtrans-94.6-30.7-173.6-66.8-163.4144.800114.3H35H35-E39 IonicContact CE1-OE1 3.01Å; H35-E39 PolarHBondContact CE1-OE1 2.75Å; H35-E39 IonicContact CE1-OE2 2.88Å; H35-E39 PolarHBondContact CE1-OE2 3.39Å; H35-E39 IonicContact ND1-OE2 3.25Å; H35-E39 PolarHBondContact ND1-OE2 3.19Å; H35-E39 IonicContact NE2-OE1 3.11Å; H35-E39 PolarHBondContact NE2-OE1 3.11Å; H35-E39 VanDerWaalsContact NE2-OE1 3.11Å; H35-E39 IonicContact NE2-OE2 2.99Å; H35-E39 PolarHBondContact O-N 2.65Å
40T74.8Confident85.9Confident52 Ų5272.6 Ų72.632%0.31939%0.386SS..  trans-93.2128.3-174.4-47.20000109.7Y36 D42Y36-T40 HydrophobicContact CD2-CG2 4.49Å; Y36-T40 WeakPolarHBondContact CD2-OG1 3.39Å; Y36-T40 HydrophobicContact CE2-CG2 3.85Å; Y36-T40 WeakPolarHBondContact O-CA 3.08Å; Y36-T40 WeakPolarHBondContact O-CB 3.28Å; Y36-T40 PolarHBondContact O-N 3.49Å; Y36-T40 PolarHBondContact O-OG1 2.84Å; T40-D42 HydrophobicContact CG2-CB 4.2Å
41S65.1Low85.7Confident117 Ų11777.4 Ų77.482%0.81841%0.413SS*.  trans-106.61.4173.350.20000113D43S41-D43 PolarHBondContact O-N 2.77Å
42D68.3Low85.7Confident87 Ų8771.4 Ų71.447%0.46539%0.387SS..  trans-91.486.2177.4-170.65000110.9T40 K44T40-D42 HydrophobicContact CG2-CB 4.2Å; D42-K44 PolarHBondContact O-N 3.44Å; D42-K44 WeakPolarHBondContact OD1-CB 3.26Å; D42-K44 PolarHBondContact OD1-N 2.88Å
43D69Low85.8Confident90 Ų9071.8 Ų71.848%0.48139%0.385SS..THydrogen-bonded Turntrans-77.34.9178.7-58.2-29.1000113S41 P101S41-D43 PolarHBondContact O-N 2.77Å; D43-P101 VanDerWaalsContact O-CD 3.29Å; D43-P101 WeakPolarHBondContact O-CD 3.41Å
44K76.9Confident85.9Confident180 Ų18074.9 Ų74.978%0.78341%0.407SS*.THydrogen-bonded Turntrans-101.7-23.1-172.5-62.8-176.3179.8178.20114.1D42D42-K44 PolarHBondContact O-N 3.44Å; D42-K44 WeakPolarHBondContact OD1-CB 3.26Å; D42-K44 PolarHBondContact OD1-N 2.88Å
45A85.1Confident86.1Confident30 Ų3074.1 Ų74.125%0.24840%0.4CS..SBendtrans-66.2138176.100000109.9P100 P101A45-P100 WeakPolarHBondContact O-CB 3.39Å; A45-P101 WeakPolarHBondContact O-CD 3.44Å
46P90.8Very high86.4Confident53 Ų5370 Ų7034%0.34438%0.382SS..  trans-64.8148.8178.328.9-34.4000110.6T48 D49P46-T48 PolarHBondContact O-N 3.1Å; P46-D49 HydrophobicContact CG-CB 4.42Å; P46-D49 WeakPolarHBondContact CG-OD2 3.39Å; P46-D49 PolarHBondContact O-N 2.73Å
47V91.9Very high86.8Confident2 Ų272.9 Ų72.91%0.01240%0.396CS..G310 helixtrans-57.9-26.9-178.171.60000113D49 T50 I52 P53 P100 P101 G102 M103 Q106V47-D49 PolarHBondContact O-N 3.43Å; V47-T50 WeakPolarHBondContact O-CB 3.33Å; V47-T50 PolarHBondContact O-N 2.79Å; V47-T50 VanDerWaalsContact O-N 3.11Å; V47-T50 PolarHBondContact O-OG1 2.95Å; V47-I52 HydrophobicContact CG2-CB 4.14Å; V47-I52 HydrophobicContact CG2-CD1 4.29Å; V47-I52 HydrophobicContact CG2-CG2 4.27Å; V47-P53 HydrophobicContact CG2-CG 4.37Å; V47-P53 WeakPolarHBondContact O-CD 3.29Å; V47-P100 HydrophobicContact CB-CG 3.99Å; V47-P100 HydrophobicContact CG2-CG 4.07Å; V47-P101 PolarHBondContact N-O 3.49Å; V47-G102 VanDerWaalsContact CG1-C 3.46Å; V47-M103 HydrophobicContact CG2-SD 4.17Å; V47-Q106 HydrophobicContact CG1-CG 3.73Å; V47-Q106 HydrophobicContact CG2-CG 3.98Å
48T90.8Very high87.3Confident93 Ų9373.1 Ų73.157%0.57140%0.4SS*.G310 helixtrans-63.1-24178.752.60000113.6P46 T50P46-T48 PolarHBondContact O-N 3.1Å; T48-T50 VanDerWaalsContact C-N 3.28Å
49D90.8Very high87.8Confident124 Ų12466.7 Ų66.766%0.66337%0.367SS*.G310 helixtrans-90.3-0.2-179.4-62-4000111.6P46 V47P46-D49 HydrophobicContact CG-CB 4.42Å; P46-D49 WeakPolarHBondContact CG-OD2 3.39Å; P46-D49 PolarHBondContact O-N 2.73Å; V47-D49 PolarHBondContact O-N 3.43Å
50T91.6Very high88.5Confident19 Ų1960.8 Ų60.812%0.11734%0.339CS..SBendtrans-101.7167.8177.978.50000110.9Y36 V47 T48 I52 P53 P100Y36-T50 HydrophobicContact CD2-CG2 4.31Å; Y36-T50 HydrophobicContact CE2-CG2 3.49Å; Y36-T50 VanDerWaalsContact CE2-CG2 3.49Å; V47-T50 WeakPolarHBondContact O-CB 3.33Å; V47-T50 PolarHBondContact O-N 2.79Å; V47-T50 VanDerWaalsContact O-N 3.11Å; V47-T50 PolarHBondContact O-OG1 2.95Å; T48-T50 VanDerWaalsContact C-N 3.28Å; T50-I52 PolarHBondContact O-N 3.31Å; T50-I52 WeakPolarHBondContact OG1-CB 3.38Å; T50-I52 WeakPolarHBondContact OG1-CG1 3.35Å; T50-I52 PolarHBondContact OG1-N 2.95Å; T50-I52 VanDerWaalsContact OG1-N 3.17Å; T50-P53 WeakPolarHBondContact O-CD 3.47Å; T50-P100 HydrophobicContact CG2-CG 4.42Å
51N92.9Very high89.5Confident122 Ų12262.1 Ų62.165%0.65234%0.344SS*.SBendtrans-80.3-2.8172.2-64.7-31.7000113.2S54 H55N51-S54 PolarHBondContact O-N 2.76Å; N51-H55 PolarHBondContact O-CD2 3.07Å; N51-H55 PolarHBondContact O-N 2.68Å
52I95.1Very high91Very high3 Ų356.8 Ų56.82%0.01531%0.307CS..Hα-helixtrans-56.2-48.3-176.5-63.7169000112.1I33 Y36 Y37 V47 T50 S54 H55 L56 P100 M103I33-I52 HydrophobicContact CG1-CG2 4.47Å; I33-I52 HydrophobicContact CG2-CG2 4.3Å; Y36-I52 HydrophobicContact CD1-CD1 3.6Å; Y36-I52 HydrophobicContact CD1-CG1 4.45Å; Y36-I52 HydrophobicContact CE1-CD1 3.9Å; Y36-I52 HydrophobicContact CG-CD1 3.96Å; Y36-I52 HydrophobicContact CG-CG1 4.34Å; Y37-I52 HydrophobicContact CE2-CD1 3.99Å; V47-I52 HydrophobicContact CG2-CB 4.14Å; V47-I52 HydrophobicContact CG2-CD1 4.29Å; V47-I52 HydrophobicContact CG2-CG2 4.27Å; T50-I52 PolarHBondContact O-N 3.31Å; T50-I52 WeakPolarHBondContact OG1-CB 3.38Å; T50-I52 WeakPolarHBondContact OG1-CG1 3.35Å; T50-I52 PolarHBondContact OG1-N 2.95Å; T50-I52 VanDerWaalsContact OG1-N 3.17Å; I52-S54 VanDerWaalsContact C-N 3.31Å; I52-S54 PolarHBondContact O-N 3.37Å; I52-H55 PolarHBondContact O-N 2.8Å; I52-L56 HydrophobicContact CG2-CD1 3.87Å; I52-L56 HydrophobicContact CG2-CG 4.26Å; I52-L56 WeakPolarHBondContact O-CG 3.49Å; I52-L56 PolarHBondContact O-N 3.28Å; I52-P100 HydrophobicContact CD1-CG 4.19Å; I52-M103 HydrophobicContact CG2-CE 4.12Å; I52-M103 HydrophobicContact CG2-SD 3.92Å
53P95.9Very high92.2Very high29 Ų2952.7 Ų52.719%0.18829%0.285CS..Hα-helixtrans-58.1-43.3-180-2536000112.4V47 T50 L56 E57 Q106V47-P53 HydrophobicContact CG2-CG 4.37Å; V47-P53 WeakPolarHBondContact O-CD 3.29Å; T50-P53 WeakPolarHBondContact O-CD 3.47Å; P53-L56 PolarHBondContact O-N 2.94Å; P53-E57 PolarHBondContact O-N 2.91Å; P53-Q106 HydrophobicContact CG-CG 4.36Å
54S96.3Very high93.4Very high66 Ų6651 Ų5146%0.46228%0.278SS..Hα-helixtrans-64.6-43.7178.4178.90000111.7N51 I52 L56 E57 Q58N51-S54 PolarHBondContact O-N 2.76Å; I52-S54 VanDerWaalsContact C-N 3.31Å; I52-S54 PolarHBondContact O-N 3.37Å; S54-L56 PolarHBondContact O-N 3.2Å; S54-E57 PolarHBondContact O-N 2.99Å; S54-Q58 WeakPolarHBondContact O-CG 3.36Å; S54-Q58 PolarHBondContact O-N 3.42Å
55H97.6Very high94.1Very high26 Ų2646.6 Ų46.612%0.1226%0.26CS..Hα-helixtrans-63-40.6176.1-71.7-67.3000112.5H29 I33 N51 I52 Q58 M59H29-H55 HydrophobicContact CB-CB 4.27Å; H29-H55 AromaticContact CE1-ND1 3.97Å; H29-H55 AromaticContact CG-ND1 3.77Å; H29-H55 AromaticContact ND1-CE1 3.94Å; H29-H55 AromaticContact ND1-CG 3.89Å; H29-H55 AromaticContact ND1-ND1 3Å; H29-H55 PolarHBondContact ND1-ND1 3.37Å; I33-H55 HydrophobicContact CD1-CB 3.89Å; I33-H55 HydrophobicContact CG1-CB 3.53Å; N51-H55 PolarHBondContact O-CD2 3.07Å; N51-H55 PolarHBondContact O-N 2.68Å; I52-H55 PolarHBondContact O-N 2.8Å; H55-Q58 PolarHBondContact O-N 3.48Å; H55-M59 WeakPolarHBondContact O-CB 3.31Å; H55-M59 VanDerWaalsContact O-CG 3.25Å; H55-M59 WeakPolarHBondContact O-CG 3.36Å; H55-M59 PolarHBondContact O-N 2.96Å
56L97.6Very high94.5Very high5 Ų545.5 Ų45.53%0.02625%0.25CC..Hα-helixtrans-64.3-40.1176.7-75.1173.1000112.4I33 I52 P53 S54 M59 L60 L91 Q106 F110I33-L56 HydrophobicContact CD1-CD2 3.53Å; I33-L56 HydrophobicContact CD1-CG 3.73Å; I52-L56 HydrophobicContact CG2-CD1 3.87Å; I52-L56 HydrophobicContact CG2-CG 4.26Å; I52-L56 WeakPolarHBondContact O-CG 3.49Å; I52-L56 PolarHBondContact O-N 3.28Å; P53-L56 PolarHBondContact O-N 2.94Å; S54-L56 PolarHBondContact O-N 3.2Å; L56-M59 PolarHBondContact O-N 2.88Å; L56-L60 PolarHBondContact O-N 2.68Å; L56-L91 HydrophobicContact CD2-CD1 4.27Å; L56-L91 HydrophobicContact CD2-CD2 3.85Å; L56-Q106 HydrophobicContact CD1-CB 3.85Å; L56-F110 HydrophobicContact CB-CD2 4.09Å; L56-F110 HydrophobicContact CD2-CD2 3.78Å; L56-F110 HydrophobicContact CD2-CE2 4.17Å; L56-F110 HydrophobicContact CD2-CG 4.22Å
57E96.9Very high94.4Very high94 Ų9444.9 Ų44.944%0.43924%0.242SC..Hα-helixtrans-65.4-47.8176.7-175.2158.1-125.600111.4P53 S54 M59 L60 D61 K113P53-E57 PolarHBondContact O-N 2.91Å; S54-E57 PolarHBondContact O-N 2.99Å; E57-M59 VanDerWaalsContact C-N 3.31Å; E57-M59 PolarHBondContact O-N 3.22Å; E57-L60 WeakPolarHBondContact O-CB 3.28Å; E57-L60 PolarHBondContact O-N 3.14Å; E57-D61 PolarHBondContact O-N 2.9Å; E57-K113 IonicContact OE1-NZ 3.83Å
58Q97.5Very high94.2Very high72 Ų7248.2 Ų48.234%0.33627%0.27SS..Hα-helixtrans-61.2-38.8176.6-66.9-58-69.100112.4H29 S54 H55 L60 D61 I62H29-Q58 VanDerWaalsContact CE1-CB 3.44Å; H29-Q58 WeakPolarHBondContact CE1-CB 3.27Å; S54-Q58 WeakPolarHBondContact O-CG 3.36Å; S54-Q58 PolarHBondContact O-N 3.42Å; H55-Q58 PolarHBondContact O-N 3.48Å; Q58-L60 VanDerWaalsContact C-N 3.29Å; Q58-L60 PolarHBondContact O-N 3.36Å; Q58-D61 PolarHBondContact NE2-OD2 3.43Å; Q58-D61 PolarHBondContact O-N 3.45Å; Q58-I62 WeakPolarHBondContact O-CB 3.21Å; Q58-I62 WeakPolarHBondContact O-CD1 3.45Å; Q58-I62 VanDerWaalsContact O-CG1 3.22Å; Q58-I62 WeakPolarHBondContact O-CG1 3.22Å; Q58-I62 PolarHBondContact O-N 3.48Å
59M97.8Very high94Very high0 Ų049.9 Ų49.90%027%0.271CS..Hα-helixtrans-58.7-39.4172.7-75.4174.370.600112.4F26 H29 W30 I33 H55 L56 E57 L63 I87 F110F26-M59 HydrophobicContact CD2-CB 4.15Å; F26-M59 HydrophobicContact CD2-CG 4.16Å; F26-M59 HydrophobicContact CE1-CE 3.97Å; F26-M59 HydrophobicContact CE2-CB 3.79Å; F26-M59 HydrophobicContact CE2-CE 3.69Å; F26-M59 HydrophobicContact CE2-CG 4Å; F26-M59 HydrophobicContact CZ-CE 3.36Å; H29-M59 HydrophobicContact CB-CG 3.63Å; H29-M59 HydrophobicContact CB-SD 4.37Å; W30-M59 HydrophobicContact CB-CE 3.95Å; W30-M59 HydrophobicContact CB-SD 4.11Å; W30-M59 HydrophobicContact CD2-CE 4.35Å; W30-M59 HydrophobicContact CE3-CE 3.83Å; W30-M59 HydrophobicContact CE3-SD 4.14Å; W30-M59 HydrophobicContact CG-CE 4.44Å; I33-M59 HydrophobicContact CD1-SD 3.63Å; H55-M59 WeakPolarHBondContact O-CB 3.31Å; H55-M59 VanDerWaalsContact O-CG 3.25Å; H55-M59 WeakPolarHBondContact O-CG 3.36Å; H55-M59 PolarHBondContact O-N 2.96Å; L56-M59 PolarHBondContact O-N 2.88Å; E57-M59 VanDerWaalsContact C-N 3.31Å; E57-M59 PolarHBondContact O-N 3.22Å; M59-L63 VanDerWaalsContact O-CG 3.24Å; M59-L63 WeakPolarHBondContact O-CG 3.36Å; M59-L63 PolarHBondContact O-N 2.98Å; M59-I87 HydrophobicContact CE-CD1 4.33Å; M59-I87 HydrophobicContact CE-CG2 4.17Å; M59-F110 HydrophobicContact CB-CE2 4.19Å
60L96.5Very high93.3Very high12 Ų1248.4 Ų48.46%0.06326%0.257CS..Hα-helixtrans-70.1-41.5176.2-73.2170.2000112.4L56 E57 Q58 I62 L63 T64 F110 K113 L114L56-L60 PolarHBondContact O-N 2.68Å; E57-L60 WeakPolarHBondContact O-CB 3.28Å; E57-L60 PolarHBondContact O-N 3.14Å; Q58-L60 VanDerWaalsContact C-N 3.29Å; Q58-L60 PolarHBondContact O-N 3.36Å; L60-I62 VanDerWaalsContact C-N 3.32Å; L60-I62 PolarHBondContact O-N 3.09Å; L60-L63 PolarHBondContact O-N 2.81Å; L60-T64 WeakPolarHBondContact O-CB 2.99Å; L60-T64 PolarHBondContact O-N 3.38Å; L60-T64 PolarHBondContact O-OG1 3.45Å; L60-F110 HydrophobicContact CD1-CD2 3.73Å; L60-F110 HydrophobicContact CD1-CE2 4.23Å; L60-F110 HydrophobicContact CD1-CG 4.38Å; L60-F110 HydrophobicContact CD2-CD2 3.78Å; L60-F110 HydrophobicContact CD2-CE1 4.45Å; L60-F110 HydrophobicContact CD2-CE2 3.57Å; L60-F110 HydrophobicContact CD2-CG 4.32Å; L60-F110 HydrophobicContact CD2-CZ 3.93Å; L60-F110 HydrophobicContact CG-CD2 3.5Å; L60-F110 HydrophobicContact CG-CE2 3.47Å; L60-F110 VanDerWaalsContact CG-CE2 3.47Å; L60-F110 HydrophobicContact CG-CG 4.4Å; L60-F110 HydrophobicContact CG-CZ 4.32Å; L60-K113 HydrophobicContact CD1-CB 3.65Å; L60-K113 HydrophobicContact CD1-CD 3.72Å; L60-K113 HydrophobicContact CD1-CG 4.33Å; L60-K113 HydrophobicContact CD2-CB 4.47Å; L60-L114 HydrophobicContact CD2-CB 3.87Å; L60-L114 HydrophobicContact CD2-CD1 4.08Å
61D96.1Very high92Very high80 Ų8056 Ų5643%0.42829%0.291SS..Hα-helixtrans-61.3-44.3178.9-69.6-20.5000110.3E57 Q58 L63 T64 Q65E57-D61 PolarHBondContact O-N 2.9Å; Q58-D61 PolarHBondContact NE2-OD2 3.43Å; Q58-D61 PolarHBondContact O-N 3.45Å; D61-L63 PolarHBondContact O-N 3.04Å; D61-T64 PolarHBondContact O-N 2.89Å; D61-Q65 WeakPolarHBondContact O-CB 3.39Å; D61-Q65 PolarHBondContact O-N 3.19Å
62I95.7Very high90.7Very high6 Ų656.3 Ų56.33%0.03130%0.303CS..Hα-helixtrans-61.4-45.2176.1-66.5163.9000111.4L22 D25 F26 Q58 L60 T64 Q65 E66L22-I62 HydrophobicContact CB-CG2 4.09Å; L22-I62 HydrophobicContact CD2-CG2 4.4Å; D25-I62 HydrophobicContact CB-CD1 4.04Å; F26-I62 HydrophobicContact CB-CD1 4.44Å; F26-I62 HydrophobicContact CB-CG2 4.08Å; F26-I62 HydrophobicContact CD2-CG2 4.37Å; Q58-I62 WeakPolarHBondContact O-CB 3.21Å; Q58-I62 WeakPolarHBondContact O-CD1 3.45Å; Q58-I62 VanDerWaalsContact O-CG1 3.22Å; Q58-I62 WeakPolarHBondContact O-CG1 3.22Å; Q58-I62 PolarHBondContact O-N 3.48Å; L60-I62 VanDerWaalsContact C-N 3.32Å; L60-I62 PolarHBondContact O-N 3.09Å; I62-T64 VanDerWaalsContact C-N 3.3Å; I62-T64 PolarHBondContact O-N 3.41Å; I62-Q65 PolarHBondContact O-N 3.08Å; I62-E66 WeakPolarHBondContact O-CB 3.34Å; I62-E66 PolarHBondContact O-N 3.37Å
63L94.6Very high89.2Confident1 Ų160.1 Ų60.11%0.00534%0.342CS..Hα-helixtrans-64.3-36.9177.2-69.6169.9000112F26 M59 L60 D61 E67 C78 M79 L82 L114 I118F26-L63 HydrophobicContact CD2-CD2 4.3Å; F26-L63 HydrophobicContact CD2-CG 4.16Å; F26-L63 HydrophobicContact CE2-CD1 3.77Å; F26-L63 HydrophobicContact CE2-CD2 3.9Å; F26-L63 HydrophobicContact CE2-CG 3.69Å; F26-L63 HydrophobicContact CZ-CD1 4.38Å; F26-L63 HydrophobicContact CZ-CD2 4.44Å; M59-L63 VanDerWaalsContact O-CG 3.24Å; M59-L63 WeakPolarHBondContact O-CG 3.36Å; M59-L63 PolarHBondContact O-N 2.98Å; L60-L63 PolarHBondContact O-N 2.81Å; D61-L63 PolarHBondContact O-N 3.04Å; L63-E67 WeakPolarHBondContact O-CB 3.35Å; L63-E67 PolarHBondContact O-N 3.13Å; L63-C78 HydrophobicContact CD2-CB 3.72Å; L63-M79 HydrophobicContact CD2-CB 4.27Å; L63-M79 HydrophobicContact CD2-CE 4.2Å; L63-L82 HydrophobicContact CD1-CD1 3.64Å; L63-L114 HydrophobicContact CD1-CD1 3.78Å; L63-I118 HydrophobicContact CB-CD1 4.12Å
64T92.9Very high88.2Confident53 Ų5366.2 Ų66.233%0.32537%0.368SS..Hα-helixtrans-71.6-38.9178.6-550000111.1L60 D61 I62 E67 A68L60-T64 WeakPolarHBondContact O-CB 2.99Å; L60-T64 PolarHBondContact O-N 3.38Å; L60-T64 PolarHBondContact O-OG1 3.45Å; D61-T64 PolarHBondContact O-N 2.89Å; I62-T64 VanDerWaalsContact C-N 3.3Å; I62-T64 PolarHBondContact O-N 3.41Å; T64-E67 PolarHBondContact O-N 3.39Å; T64-A68 WeakPolarHBondContact O-CB 3.32Å; T64-A68 PolarHBondContact O-N 3.32Å
65Q92.5Very high87.6Confident89 Ų8964.9 Ų64.942%0.41636%0.357SS..Hα-helixtrans-62.8-47.3173179.2177.3-200110.9L22 D61 I62 E67 A68 E69L22-Q65 HydrophobicContact CD1-CG 4.45Å; D61-Q65 WeakPolarHBondContact O-CB 3.39Å; D61-Q65 PolarHBondContact O-N 3.19Å; I62-Q65 PolarHBondContact O-N 3.08Å; Q65-E67 VanDerWaalsContact C-N 3.31Å; Q65-E67 PolarHBondContact O-N 2.92Å; Q65-A68 WeakPolarHBondContact O-CB 3.04Å; Q65-A68 PolarHBondContact O-N 3.42Å; Q65-E69 HydrophobicContact CG-CG 4.36Å; Q65-E69 VanDerWaalsContact CG-OE1 3.26Å; Q65-E69 WeakPolarHBondContact CG-OE1 3.48Å; Q65-E69 PolarHBondContact NE2-OE1 3.37Å; Q65-E69 WeakPolarHBondContact O-CG 3.1Å; Q65-E69 PolarHBondContact O-N 3.49Å
66E91.8Very high87.2Confident7 Ų763.7 Ų63.73%0.03335%0.352CS..Hα-helixtrans-57.9-42.6176.6177.1177.5-111.300112L22 I62 A68 R70 G76 P77 C78 M79L22-E66 HydrophobicContact CD1-CB 4.32Å; I62-E66 WeakPolarHBondContact O-CB 3.34Å; I62-E66 PolarHBondContact O-N 3.37Å; E66-A68 VanDerWaalsContact C-N 3.3Å; E66-A68 PolarHBondContact O-N 2.85Å; E66-R70 WeakPolarHBondContact O-CB 3.07Å; E66-R70 WeakPolarHBondContact O-CD 3.16Å; E66-R70 VanDerWaalsContact O-CG 3.24Å; E66-R70 WeakPolarHBondContact O-CG 3.12Å; E66-R70 PolarHBondContact O-N 2.77Å; E66-G76 WeakPolarHBondContact OE1-CA 3.47Å; E66-G76 VanDerWaalsContact OE2-CA 3.26Å; E66-G76 WeakPolarHBondContact OE2-CA 3.32Å; E66-P77 WeakPolarHBondContact OE1-CD 3.4Å; E66-P77 VanDerWaalsContact OE1-CG 3.29Å; E66-P77 WeakPolarHBondContact OE1-CG 2.9Å; E66-P77 VanDerWaalsContact OE1-N 3.15Å; E66-C78 WeakPolarHBondContact OE1-CB 3.38Å; E66-C78 PolarHBondContact OE1-N 3.17Å; E66-C78 PolarHBondContact OE1-SG 3.24Å; E66-C78 VanDerWaalsContact OE2-CB 3.26Å; E66-C78 WeakPolarHBondContact OE2-CB 3.34Å; E66-C78 PolarHBondContact OE2-N 2.83Å; E66-M79 PolarHBondContact OE2-N 2.94Å
67E88.7Confident86.9Confident39 Ų3965.4 Ų65.418%0.18236%0.364CS..Hα-helixtrans-66.1-31.9175.8-171.579.7-172.700112.2L63 T64 Q65 I118 R119 Q120L63-E67 WeakPolarHBondContact O-CB 3.35Å; L63-E67 PolarHBondContact O-N 3.13Å; T64-E67 PolarHBondContact O-N 3.39Å; Q65-E67 VanDerWaalsContact C-N 3.31Å; Q65-E67 PolarHBondContact O-N 2.92Å; E67-I118 HydrophobicContact CB-CD1 4.42Å; E67-R119 WeakPolarHBondContact OE1-CB 3.18Å; E67-R119 PolarHBondContact OE1-N 3.28Å; E67-Q120 PolarHBondContact OE1-N 3.48Å; E67-Q120 PolarHBondContact OE2-NE2 2.89Å
68A88.4Confident86.8Confident73 Ų7361 Ų6160%0.60334%0.343SS*.Hα-helixtrans-77.9-33.5179.800000113.2T64 Q65 E66 R70T64-A68 WeakPolarHBondContact O-CB 3.32Å; T64-A68 PolarHBondContact O-N 3.32Å; Q65-A68 WeakPolarHBondContact O-CB 3.04Å; Q65-A68 PolarHBondContact O-N 3.42Å; E66-A68 VanDerWaalsContact C-N 3.3Å; E66-A68 PolarHBondContact O-N 2.85Å; A68-R70 VanDerWaalsContact C-N 3.31Å
69E86.6Confident86.7Confident127 Ų12757.6 Ų57.659%0.59333%0.327SS*.Hα-helixtrans-80.1-11.2-179.4-70.7177.5-174.200113.4Q65Q65-E69 HydrophobicContact CG-CG 4.36Å; Q65-E69 VanDerWaalsContact CG-OE1 3.26Å; Q65-E69 WeakPolarHBondContact CG-OE1 3.48Å; Q65-E69 PolarHBondContact NE2-OE1 3.37Å; Q65-E69 WeakPolarHBondContact O-CG 3.1Å; Q65-E69 PolarHBondContact O-N 3.49Å
70R76.4Confident86.4Confident93 Ų9361.8 Ų61.835%0.35135%0.347SS..SBendtrans-99.1145-174.2-78.2175.9166.4-117.3-15.6114.1E66 A68 E74 T75E66-R70 WeakPolarHBondContact O-CB 3.07Å; E66-R70 WeakPolarHBondContact O-CD 3.16Å; E66-R70 VanDerWaalsContact O-CG 3.24Å; E66-R70 WeakPolarHBondContact O-CG 3.12Å; E66-R70 PolarHBondContact O-N 2.77Å; A68-R70 VanDerWaalsContact C-N 3.31Å; R70-E74 PolarHBondContact NH1-O 2.95Å; R70-T75 PolarHBondContact NH1-O 3.31Å
71E64Low86.4Confident180 Ų18063.4 Ų63.484%0.84135%0.352SS*.PPolyproline II helixtrans-75.2140.5166.1-66.8-176.3172.700110G73E71-G73 PolarHBondContact O-N 3Å
72S65.4Low86.4Confident128 Ų12859.7 Ų59.790%0.89533%0.332SS*.THydrogen-bonded Turntrans-56.1123.1-169.643.80000114
73G63.6Low86.3Confident82 Ų8260.1 Ų60.185%0.84534%0.335SS*.THydrogen-bonded Turntrans131.9-14.6163.500000116.6E71E71-G73 PolarHBondContact O-N 3Å
74E74.6Confident86.3Confident157 Ų15766.7 Ų66.773%0.73437%0.365SS*.  trans-116.6128.7-175.9-65.6-173.8172.200113.1R70 G76R70-E74 PolarHBondContact NH1-O 2.95Å; E74-G76 PolarHBondContact O-N 2.95Å
75T85.4Confident86.5Confident39 Ų3969.2 Ų69.224%0.23937%0.373CS..  trans-67.6132.2178.7-54.20000111.5R70 M79 E80 L83 Q120R70-T75 PolarHBondContact NH1-O 3.31Å; T75-M79 HydrophobicContact CG2-CB 3.69Å; T75-M79 HydrophobicContact CG2-CG 3.5Å; T75-E80 HydrophobicContact CG2-CG 3.82Å; T75-L83 HydrophobicContact CG2-CD1 4.39Å; T75-Q120 PolarHBondContact OG1-OE1 3.31Å
76G88.9Confident86.7Confident1 Ų170.4 Ų70.41%0.0138%0.377CS..  trans-53.1146.4174.100000117.2E66 E74 C78 M79 E80E66-G76 WeakPolarHBondContact OE1-CA 3.47Å; E66-G76 VanDerWaalsContact OE2-CA 3.26Å; E66-G76 WeakPolarHBondContact OE2-CA 3.32Å; E74-G76 PolarHBondContact O-N 2.95Å; G76-C78 PolarHBondContact O-N 2.79Å; G76-M79 PolarHBondContact O-N 3.49Å; G76-E80 WeakPolarHBondContact O-CB 3.49Å; G76-E80 VanDerWaalsContact O-CG 3.22Å; G76-E80 WeakPolarHBondContact O-CG 2.91Å; G76-E80 PolarHBondContact O-N 3.34Å
77P91.6Very high86.9Confident41 Ų4170.1 Ų70.127%0.26638%0.375SS..Hα-helixtrans-59.1-30.6166.726.9-37.7000112.5Q23 E66 Y81Q23-P77 HydrophobicContact CB-CB 4.26Å; Q23-P77 HydrophobicContact CB-CG 4.47Å; Q23-P77 HydrophobicContact CG-CB 4.25Å; Q23-P77 PolarHBondContact NE2-O 3.4Å; E66-P77 WeakPolarHBondContact OE1-CD 3.4Å; E66-P77 VanDerWaalsContact OE1-CG 3.29Å; E66-P77 WeakPolarHBondContact OE1-CG 2.9Å; E66-P77 VanDerWaalsContact OE1-N 3.15Å; P77-Y81 VanDerWaalsContact O-CB 3.25Å; P77-Y81 WeakPolarHBondContact O-CB 3.39Å; P77-Y81 PolarHBondContact O-N 3.38Å
78C94.4Very high87.4Confident0 Ų068.3 Ų68.30%037%0.367CS..Hα-helixtrans-72.9-48.2175.2-48.10000110.5L22 Q23 F26 L63 E66 G76 E80 Y81 L82L22-C78 VanDerWaalsContact C-SG 3.52Å; Q23-C78 WeakPolarHBondContact CA-SG 3.36Å; Q23-C78 PolarHBondContact N-SG 3.49Å; Q23-C78 VanDerWaalsContact N-SG 3.39Å; F26-C78 HydrophobicContact CB-CB 4.28Å; F26-C78 HydrophobicContact CD2-CB 4.3Å; F26-C78 HydrophobicContact CG-CB 4.12Å; L63-C78 HydrophobicContact CD2-CB 3.72Å; E66-C78 WeakPolarHBondContact OE1-CB 3.38Å; E66-C78 PolarHBondContact OE1-N 3.17Å; E66-C78 PolarHBondContact OE1-SG 3.24Å; E66-C78 VanDerWaalsContact OE2-CB 3.26Å; E66-C78 WeakPolarHBondContact OE2-CB 3.34Å; E66-C78 PolarHBondContact OE2-N 2.83Å; G76-C78 PolarHBondContact O-N 2.79Å; C78-E80 PolarHBondContact O-N 2.71Å; C78-Y81 WeakPolarHBondContact O-CB 3.4Å; C78-Y81 PolarHBondContact O-N 2.95Å; C78-L82 PolarHBondContact O-N 3.35Å
79M93.9Very high87.8Confident2 Ų267.2 Ų67.21%0.0135%0.349CS..Hα-helixtrans-61.9-42.4174.6-177.161.468.600112.4L63 E66 T75 G76 Y81 L82 L83 L114 I118 L122L63-M79 HydrophobicContact CD2-CB 4.27Å; L63-M79 HydrophobicContact CD2-CE 4.2Å; E66-M79 PolarHBondContact OE2-N 2.94Å; T75-M79 HydrophobicContact CG2-CB 3.69Å; T75-M79 HydrophobicContact CG2-CG 3.5Å; G76-M79 PolarHBondContact O-N 3.49Å; M79-Y81 VanDerWaalsContact C-N 3.31Å; M79-Y81 PolarHBondContact O-N 3.18Å; M79-L82 WeakPolarHBondContact O-CB 3.15Å; M79-L82 PolarHBondContact O-N 2.95Å; M79-L82 HydrophobicContact SD-CD2 4.06Å; M79-L83 HydrophobicContact CG-CD1 4.13Å; M79-L83 HydrophobicContact CG-CG 4.39Å; M79-L83 VanDerWaalsContact O-CG 3.29Å; M79-L83 WeakPolarHBondContact O-CG 3.31Å; M79-L83 PolarHBondContact O-N 3.06Å; M79-L83 HydrophobicContact SD-CG 4.28Å; M79-L114 HydrophobicContact CE-CD1 4.26Å; M79-I118 HydrophobicContact CE-CD1 4.27Å; M79-I118 HydrophobicContact CE-CG1 4.08Å; M79-I118 HydrophobicContact CE-CG2 4.01Å; M79-L122 HydrophobicContact CE-CD1 4.23Å; M79-L122 HydrophobicContact CE-CD2 3.87Å; M79-L122 HydrophobicContact CG-CD2 4.46Å; M79-L122 HydrophobicContact SD-CD2 3.81Å
80E92.9Very high88.3Confident88 Ų8863.8 Ų63.841%0.41134%0.337SS..Hα-helixtrans-58.3-45.6173.2-79.6-177.3172.100110.4T75 G76 C78 L82 L83 H84T75-E80 HydrophobicContact CG2-CG 3.82Å; G76-E80 WeakPolarHBondContact O-CB 3.49Å; G76-E80 VanDerWaalsContact O-CG 3.22Å; G76-E80 WeakPolarHBondContact O-CG 2.91Å; G76-E80 PolarHBondContact O-N 3.34Å; C78-E80 PolarHBondContact O-N 2.71Å; E80-L82 VanDerWaalsContact C-N 3.35Å; E80-L82 PolarHBondContact O-N 3.02Å; E80-L83 PolarHBondContact O-N 3.4Å; E80-H84 WeakPolarHBondContact O-CB 3.28Å; E80-H84 PolarHBondContact O-N 3.47Å; E80-H84 PolarHBondContact O-ND1 3.19Å
81Y95.6Very high89.2Confident45 Ų4559.3 Ų59.318%0.17632%0.32CS..Hα-helixtrans-59.5-46.6176.4-172.4-82.9000111.1F26 V27 P77 C78 M79 L83 H84 H85 I87F26-Y81 HydrophobicContact CD1-CD1 4.05Å; F26-Y81 AromaticContact CE1-CD1 3.87Å; F26-Y81 HydrophobicContact CE1-CD1 3.87Å; V27-Y81 HydrophobicContact CG2-CD1 4.11Å; V27-Y81 HydrophobicContact CG2-CD2 3.91Å; V27-Y81 HydrophobicContact CG2-CE1 3.82Å; V27-Y81 HydrophobicContact CG2-CE2 3.61Å; V27-Y81 HydrophobicContact CG2-CG 4.16Å; P77-Y81 VanDerWaalsContact O-CB 3.25Å; P77-Y81 WeakPolarHBondContact O-CB 3.39Å; P77-Y81 PolarHBondContact O-N 3.38Å; C78-Y81 WeakPolarHBondContact O-CB 3.4Å; C78-Y81 PolarHBondContact O-N 2.95Å; M79-Y81 VanDerWaalsContact C-N 3.31Å; M79-Y81 PolarHBondContact O-N 3.18Å; Y81-L83 VanDerWaalsContact C-N 3.32Å; Y81-L83 PolarHBondContact O-N 2.92Å; Y81-H84 PolarHBondContact O-N 3.27Å; Y81-H85 HydrophobicContact CD1-CB 4.47Å; Y81-H85 AromaticContact CD1-CD2 3.9Å; Y81-H85 AromaticContact CD2-CD2 3.42Å; Y81-H85 VanDerWaalsContact CD2-CD2 3.42Å; Y81-H85 WeakPolarHBondContact CD2-CD2 3.46Å; Y81-H85 AromaticContact CD2-NE2 3.59Å; Y81-H85 HydrophobicContact CE1-CB 4.19Å; Y81-H85 AromaticContact CE1-CD2 3.83Å; Y81-H85 AromaticContact CE1-CG 3.96Å; Y81-H85 AromaticContact CE2-CD2 3.34Å; Y81-H85 WeakPolarHBondContact CE2-CD2 3.35Å; Y81-H85 AromaticContact CE2-CE1 3.89Å; Y81-H85 AromaticContact CE2-NE2 3.24Å; Y81-H85 WeakPolarHBondContact CE2-NE2 3.39Å; Y81-H85 AromaticContact CG-CD2 3.71Å; Y81-H85 AromaticContact CZ-CD2 3.54Å; Y81-H85 AromaticContact CZ-CG 3.8Å; Y81-H85 AromaticContact CZ-NE2 3.75Å; Y81-H85 WeakPolarHBondContact O-CB 3.48Å; Y81-H85 PolarHBondContact O-CD2 3.4Å; Y81-H85 PolarHBondContact O-N 3.23Å; Y81-I87 HydrophobicContact CD1-CD1 3.9Å; Y81-I87 HydrophobicContact CE1-CD1 3.92Å
82L96.3Very high90.8Very high2 Ų252.1 Ų52.11%0.0129%0.286CS..Hα-helixtrans-55.9-45.4176.2177155.6000112.1F26 L63 C78 M79 E80 K86 I87 L88 F110F26-L82 HydrophobicContact CE1-CB 4.33Å; F26-L82 HydrophobicContact CZ-CB 4.02Å; F26-L82 HydrophobicContact CZ-CD1 4.13Å; L63-L82 HydrophobicContact CD1-CD1 3.64Å; C78-L82 PolarHBondContact O-N 3.35Å; M79-L82 WeakPolarHBondContact O-CB 3.15Å; M79-L82 PolarHBondContact O-N 2.95Å; M79-L82 HydrophobicContact SD-CD2 4.06Å; E80-L82 VanDerWaalsContact C-N 3.35Å; E80-L82 PolarHBondContact O-N 3.02Å; L82-K86 PolarHBondContact O-N 2.82Å; L82-I87 HydrophobicContact CB-CD1 4.43Å; L82-I87 HydrophobicContact CG-CB 4.26Å; L82-I87 PolarHBondContact O-N 3.32Å; L82-I87 VanDerWaalsContact O-N 3.16Å; L82-L88 HydrophobicContact CD1-CD2 4.42Å; L82-L88 HydrophobicContact CD2-CD1 3.93Å; L82-L88 HydrophobicContact CD2-CD2 4.3Å; L82-L88 HydrophobicContact CD2-CG 3.76Å; L82-L88 HydrophobicContact CG-CG 4.41Å; L82-F110 HydrophobicContact CD1-CZ 4.49Å
83L94.1Very high92.2Very high16 Ų1649.8 Ų49.88%0.08427%0.266CS..Hα-helixtrans-71.2-46.5-179.5-66.7176.2000112.3T75 M79 E80 Y81 K86 H125 N127 V128T75-L83 HydrophobicContact CG2-CD1 4.39Å; M79-L83 HydrophobicContact CG-CD1 4.13Å; M79-L83 HydrophobicContact CG-CG 4.39Å; M79-L83 VanDerWaalsContact O-CG 3.29Å; M79-L83 WeakPolarHBondContact O-CG 3.31Å; M79-L83 PolarHBondContact O-N 3.06Å; M79-L83 HydrophobicContact SD-CG 4.28Å; E80-L83 PolarHBondContact O-N 3.4Å; Y81-L83 VanDerWaalsContact C-N 3.32Å; Y81-L83 PolarHBondContact O-N 2.92Å; L83-K86 PolarHBondContact O-N 2.89Å; L83-H125 HydrophobicContact CD2-CB 4.36Å; L83-N127 HydrophobicContact CD2-CB 4.44Å; L83-N127 PolarHBondContact O-ND2 3.06Å; L83-V128 HydrophobicContact CD2-CG2 3.46Å; L83-V128 VanDerWaalsContact CD2-CG2 3.46Å
84H94.8Very high93.7Very high139 Ų13947.1 Ų47.164%0.64423%0.233SC*.Hα-helixtrans-68.4-41.6-177.2-74.695.6000112E80 Y81 K86E80-H84 WeakPolarHBondContact O-CB 3.28Å; E80-H84 PolarHBondContact O-N 3.47Å; E80-H84 PolarHBondContact O-ND1 3.19Å; Y81-H84 PolarHBondContact O-N 3.27Å; H84-K86 PolarHBondContact O-N 3.49Å
85H95.9Very high94.7Very high105 Ų10539.8 Ų39.849%0.48620%0.199SC..THydrogen-bonded Turntrans-83.54.2179.6-70.4-89.5000113.6Y81 I87Y81-H85 HydrophobicContact CD1-CB 4.47Å; Y81-H85 AromaticContact CD1-CD2 3.9Å; Y81-H85 AromaticContact CD2-CD2 3.42Å; Y81-H85 VanDerWaalsContact CD2-CD2 3.42Å; Y81-H85 WeakPolarHBondContact CD2-CD2 3.46Å; Y81-H85 AromaticContact CD2-NE2 3.59Å; Y81-H85 HydrophobicContact CE1-CB 4.19Å; Y81-H85 AromaticContact CE1-CD2 3.83Å; Y81-H85 AromaticContact CE1-CG 3.96Å; Y81-H85 AromaticContact CE2-CD2 3.34Å; Y81-H85 WeakPolarHBondContact CE2-CD2 3.35Å; Y81-H85 AromaticContact CE2-CE1 3.89Å; Y81-H85 AromaticContact CE2-NE2 3.24Å; Y81-H85 WeakPolarHBondContact CE2-NE2 3.39Å; Y81-H85 AromaticContact CG-CD2 3.71Å; Y81-H85 AromaticContact CZ-CD2 3.54Å; Y81-H85 AromaticContact CZ-CG 3.8Å; Y81-H85 AromaticContact CZ-NE2 3.75Å; Y81-H85 WeakPolarHBondContact O-CB 3.48Å; Y81-H85 PolarHBondContact O-CD2 3.4Å; Y81-H85 PolarHBondContact O-N 3.23Å; H85-I87 HydrophobicContact CB-CG1 4.17Å; H85-I87 PolarHBondContact O-N 2.72Å
86K96.4Very high95.1Very high115 Ų11544.1 Ų44.150%0.521%0.214SC..THydrogen-bonded Turntrans51.539177.5-58178.3179.7172.10112.7L82 L83 H84 L88 E89 T90L82-K86 PolarHBondContact O-N 2.82Å; L83-K86 PolarHBondContact O-N 2.89Å; H84-K86 PolarHBondContact O-N 3.49Å; K86-L88 PolarHBondContact O-N 2.93Å; K86-E89 HydrophobicContact CB-CB 4.13Å; K86-E89 WeakPolarHBondContact O-CB 2.87Å; K86-E89 PolarHBondContact O-N 3.37Å; K86-T90 PolarHBondContact O-N 2.93Å
87I97.6Very high95.3Very high0 Ų047 Ų470%024%0.237CC..Hα-helixtrans-55.6-40.9-176.5-68.5-173.8000110.9F26 W30 M59 Y81 L82 H85 E89 T90 L91F26-I87 HydrophobicContact CE1-CD1 3.68Å; F26-I87 HydrophobicContact CZ-CD1 4.09Å; W30-I87 HydrophobicContact CB-CD1 4.46Å; W30-I87 HydrophobicContact CD2-CD1 3.88Å; W30-I87 HydrophobicContact CD2-CG1 4.14Å; W30-I87 HydrophobicContact CD2-CG2 4.07Å; W30-I87 HydrophobicContact CE3-CD1 4.46Å; W30-I87 HydrophobicContact CE3-CG2 3.72Å; W30-I87 HydrophobicContact CG-CD1 3.85Å; W30-I87 HydrophobicContact CH2-CB 4.5Å; W30-I87 HydrophobicContact CH2-CG2 3.8Å; W30-I87 HydrophobicContact CZ2-CB 4.41Å; W30-I87 HydrophobicContact CZ2-CG1 4.14Å; W30-I87 HydrophobicContact CZ2-CG2 4.12Å; W30-I87 HydrophobicContact CZ3-CG2 3.6Å; M59-I87 HydrophobicContact CE-CD1 4.33Å; M59-I87 HydrophobicContact CE-CG2 4.17Å; Y81-I87 HydrophobicContact CD1-CD1 3.9Å; Y81-I87 HydrophobicContact CE1-CD1 3.92Å; L82-I87 HydrophobicContact CB-CD1 4.43Å; L82-I87 HydrophobicContact CG-CB 4.26Å; L82-I87 PolarHBondContact O-N 3.32Å; L82-I87 VanDerWaalsContact O-N 3.16Å; H85-I87 HydrophobicContact CB-CG1 4.17Å; H85-I87 PolarHBondContact O-N 2.72Å; I87-E89 VanDerWaalsContact C-N 3.35Å; I87-E89 PolarHBondContact O-N 3.49Å; I87-T90 WeakPolarHBondContact O-CB 3.46Å; I87-T90 PolarHBondContact O-N 3.38Å; I87-L91 HydrophobicContact CG2-CD1 3.98Å; I87-L91 HydrophobicContact CG2-CG 4.26Å; I87-L91 WeakPolarHBondContact O-CG 3.49Å; I87-L91 PolarHBondContact O-N 2.69Å
88L97.8Very high95.3Very high2 Ų247.8 Ų47.81%0.0124%0.24CC..Hα-helixtrans-58.7-42.8177.1-64.8-172.6000112.6L82 K86 T90 L91 Y92 F110 Y111 L114 V128 P131L82-L88 HydrophobicContact CD1-CD2 4.42Å; L82-L88 HydrophobicContact CD2-CD1 3.93Å; L82-L88 HydrophobicContact CD2-CD2 4.3Å; L82-L88 HydrophobicContact CD2-CG 3.76Å; L82-L88 HydrophobicContact CG-CG 4.41Å; K86-L88 PolarHBondContact O-N 2.93Å; L88-T90 VanDerWaalsContact C-N 3.33Å; L88-T90 PolarHBondContact O-N 3.03Å; L88-L91 HydrophobicContact CD2-CD1 4.43Å; L88-L91 PolarHBondContact O-N 3.44Å; L88-Y92 PolarHBondContact O-N 3.17Å; L88-F110 HydrophobicContact CD2-CD1 4.42Å; L88-F110 HydrophobicContact CD2-CE1 3.77Å; L88-Y111 WeakPolarHBondContact CA-OH 3.29Å; L88-Y111 HydrophobicContact CB-CE1 4.41Å; L88-Y111 WeakPolarHBondContact CB-OH 3.45Å; L88-Y111 HydrophobicContact CD1-CE1 4.47Å; L88-Y111 HydrophobicContact CD2-CE1 4.35Å; L88-Y111 HydrophobicContact CD2-CE2 4.19Å; L88-Y111 PolarHBondContact O-OH 2.87Å; L88-L114 HydrophobicContact CD1-CD2 4.11Å; L88-L114 HydrophobicContact CD2-CD2 3.8Å; L88-V128 HydrophobicContact CD1-CB 4.28Å; L88-V128 HydrophobicContact CD1-CG1 4.18Å; L88-V128 HydrophobicContact CD1-CG2 3.93Å; L88-P131 HydrophobicContact CB-CB 4.14Å; L88-P131 HydrophobicContact CB-CG 4.06Å
89E96.9Very high95.1Very high49 Ų4950.4 Ų50.423%0.22926%0.257CS..Hα-helixtrans-64-39.7177.5-17666.6-13600111.6K86 I87 Y92 T93 P131 K134K86-E89 HydrophobicContact CB-CB 4.13Å; K86-E89 WeakPolarHBondContact O-CB 2.87Å; K86-E89 PolarHBondContact O-N 3.37Å; I87-E89 VanDerWaalsContact C-N 3.35Å; I87-E89 PolarHBondContact O-N 3.49Å; E89-Y92 PolarHBondContact O-N 2.69Å; E89-T93 PolarHBondContact O-N 3.18Å; E89-T93 VanDerWaalsContact O-N 3.12Å; E89-T93 PolarHBondContact O-OG1 3.2Å; E89-P131 HydrophobicContact CB-CG 4.08Å; E89-K134 IonicContact OE1-NZ 3Å; E89-K134 PolarHBondContact OE1-NZ 2.91Å; E89-K134 IonicContact OE2-NZ 2.71Å; E89-K134 PolarHBondContact OE2-NZ 3.5Å
90T96.8Very high95Very high55 Ų5550.4 Ų50.434%0.33726%0.257SS..Hα-helixtrans-64.3-47.9173.5-54.30000110.9W30 K86 I87 L88 Y92 T93 L94W30-T90 HydrophobicContact CH2-CG2 3.79Å; W30-T90 HydrophobicContact CZ2-CG2 3.96Å; K86-T90 PolarHBondContact O-N 2.93Å; I87-T90 WeakPolarHBondContact O-CB 3.46Å; I87-T90 PolarHBondContact O-N 3.38Å; L88-T90 VanDerWaalsContact C-N 3.33Å; L88-T90 PolarHBondContact O-N 3.03Å; T90-Y92 VanDerWaalsContact C-N 3.3Å; T90-Y92 PolarHBondContact O-N 3.47Å; T90-T93 WeakPolarHBondContact O-CA 3.46Å; T90-T93 WeakPolarHBondContact O-CB 3.4Å; T90-T93 PolarHBondContact O-N 3.43Å; T90-L94 HydrophobicContact CG2-CD1 4.46Å; T90-L94 WeakPolarHBondContact O-CG 3.5Å; T90-L94 PolarHBondContact O-N 3.28Å
91L97.3Very high94.9Very high0 Ų049 Ų490%026%0.256CS..Hα-helixtrans-58.8-40.1176.6-74.8175.4000112.3W30 L56 I87 L88 T93 L94 G95 M103 V107 F110 Y111W30-L91 HydrophobicContact CH2-CD2 4.42Å; W30-L91 HydrophobicContact CH2-CG 4.33Å; W30-L91 HydrophobicContact CZ3-CD2 3.87Å; W30-L91 HydrophobicContact CZ3-CG 4.02Å; L56-L91 HydrophobicContact CD2-CD1 4.27Å; L56-L91 HydrophobicContact CD2-CD2 3.85Å; I87-L91 HydrophobicContact CG2-CD1 3.98Å; I87-L91 HydrophobicContact CG2-CG 4.26Å; I87-L91 WeakPolarHBondContact O-CG 3.49Å; I87-L91 PolarHBondContact O-N 2.69Å; L88-L91 HydrophobicContact CD2-CD1 4.43Å; L88-L91 PolarHBondContact O-N 3.44Å; L91-T93 VanDerWaalsContact C-N 3.3Å; L91-T93 PolarHBondContact O-N 3.23Å; L91-L94 PolarHBondContact O-N 3.43Å; L91-G95 PolarHBondContact O-N 2.85Å; L91-M103 HydrophobicContact CD2-CE 4.23Å; L91-V107 HydrophobicContact CB-CG1 4.41Å; L91-V107 HydrophobicContact CB-CG2 4.43Å; L91-V107 WeakPolarHBondContact O-CG2 3.47Å; L91-F110 HydrophobicContact CD1-CD1 3.78Å; L91-F110 HydrophobicContact CD1-CE1 3.71Å; L91-F110 HydrophobicContact CD1-CG 4.4Å; L91-F110 HydrophobicContact CD1-CZ 4.26Å; L91-Y111 HydrophobicContact CB-CE2 4.21Å
92Y96.4Very high94.8Very high28 Ų2847.7 Ų47.711%0.1126%0.257CS..Hα-helixtrans-57.3-45.4172.1161-99.8000111.3L88 E89 T90 L94 G95 K96 K134 L135 L138L88-Y92 PolarHBondContact O-N 3.17Å; E89-Y92 PolarHBondContact O-N 2.69Å; T90-Y92 VanDerWaalsContact C-N 3.3Å; T90-Y92 PolarHBondContact O-N 3.47Å; Y92-L94 VanDerWaalsContact C-N 3.35Å; Y92-L94 PolarHBondContact O-N 3.49Å; Y92-G95 PolarHBondContact O-N 3.35Å; Y92-K96 HydrophobicContact CE1-CD 4.48Å; Y92-K96 WeakPolarHBondContact O-CB 3.49Å; Y92-K96 PolarHBondContact O-N 3.41Å; Y92-K134 HydrophobicContact CD1-CB 4.24Å; Y92-K134 HydrophobicContact CD1-CD 3.93Å; Y92-K134 HydrophobicContact CD2-CB 3.79Å; Y92-K134 HydrophobicContact CE1-CB 3.93Å; Y92-K134 HydrophobicContact CE1-CD 3.71Å; Y92-K134 HydrophobicContact CE1-CG 4.33Å; Y92-K134 VanDerWaalsContact CE2-C 3.48Å; Y92-K134 HydrophobicContact CE2-CB 3.44Å; Y92-K134 VanDerWaalsContact CE2-CB 3.44Å; Y92-K134 WeakPolarHBondContact CE2-O 3.45Å; Y92-K134 HydrophobicContact CG-CB 4.18Å; Y92-L135 HydrophobicContact CD2-CB 4.34Å; Y92-L135 HydrophobicContact CD2-CD1 4.42Å; Y92-L138 HydrophobicContact CD2-CD1 4.18Å; Y92-L138 HydrophobicContact CE2-CD1 3.58Å; Y92-L138 HydrophobicContact CE2-CG 4.1Å
93T96Very high94.8Very high79 Ų7947.6 Ų47.649%0.48526%0.256SS..Hα-helixtrans-62.9-42.6-179.9-55.10000111.3E89 T90 L91 K96 A97E89-T93 PolarHBondContact O-N 3.18Å; E89-T93 VanDerWaalsContact O-N 3.12Å; E89-T93 PolarHBondContact O-OG1 3.2Å; T90-T93 WeakPolarHBondContact O-CA 3.46Å; T90-T93 WeakPolarHBondContact O-CB 3.4Å; T90-T93 PolarHBondContact O-N 3.43Å; L91-T93 VanDerWaalsContact C-N 3.3Å; L91-T93 PolarHBondContact O-N 3.23Å; T93-K96 PolarHBondContact O-N 3.01Å; T93-A97 PolarHBondContact O-N 2.83Å; T93-A97 VanDerWaalsContact O-N 3.08Å
94L94.4Very high94.8Very high27 Ų2748.3 Ų48.314%0.14126%0.258CS..Hα-helixtrans-64.9-45.2175.9-60.9178.3000111.7Y37 T90 L91 Y92 K96 A97 D98 M103Y37-L94 HydrophobicContact CD1-CD2 4.21Å; Y37-L94 HydrophobicContact CD2-CD1 4.35Å; Y37-L94 HydrophobicContact CD2-CD2 4.37Å; Y37-L94 HydrophobicContact CE1-CD2 3.87Å; Y37-L94 HydrophobicContact CE2-CD1 3.78Å; Y37-L94 HydrophobicContact CE2-CD2 4.09Å; Y37-L94 HydrophobicContact CE2-CG 4.48Å; Y37-L94 HydrophobicContact CG-CD2 4.44Å; T90-L94 HydrophobicContact CG2-CD1 4.46Å; T90-L94 WeakPolarHBondContact O-CG 3.5Å; T90-L94 PolarHBondContact O-N 3.28Å; L91-L94 PolarHBondContact O-N 3.43Å; Y92-L94 VanDerWaalsContact C-N 3.35Å; Y92-L94 PolarHBondContact O-N 3.49Å; L94-K96 VanDerWaalsContact C-N 3.32Å; L94-K96 PolarHBondContact O-N 3Å; L94-A97 PolarHBondContact O-N 3.08Å; L94-D98 PolarHBondContact O-N 3.13Å; L94-M103 HydrophobicContact CB-CE 3.82Å; L94-M103 HydrophobicContact CB-CG 4.18Å; L94-M103 HydrophobicContact CD1-CE 3.93Å
95G94.4Very high94.9Very high2 Ų244.7 Ų44.72%0.02124%0.242CC..Hα-helixtrans-65-33.6177.300000113.3L91 Y92 D98 K104L91-G95 PolarHBondContact O-N 2.85Å; Y92-G95 PolarHBondContact O-N 3.35Å; G95-D98 PolarHBondContact O-N 3.17Å; G95-K104 WeakPolarHBondContact O-CB 3.46Å
96K94.1Very high94.9Very high131 Ų13141.3 Ų41.357%0.5723%0.226SC*.Hα-helixtrans-68.1-39.5173.4-176.4179.1179.51790112.2Y92 T93 L94 L138Y92-K96 HydrophobicContact CE1-CD 4.48Å; Y92-K96 WeakPolarHBondContact O-CB 3.49Å; Y92-K96 PolarHBondContact O-N 3.41Å; T93-K96 PolarHBondContact O-N 3.01Å; L94-K96 VanDerWaalsContact C-N 3.32Å; L94-K96 PolarHBondContact O-N 3Å; K96-L138 HydrophobicContact CB-CD1 3.91Å; K96-L138 HydrophobicContact CG-CD1 4.22Å; K96-L138 HydrophobicContact CG-CD2 4.2Å
97A92.9Very high95Very high60 Ų6035.9 Ų35.950%0.49620%0.203SC..Hα-helixtrans-68.1-29.3176.800000111.7T93 L94 C99T93-A97 PolarHBondContact O-N 2.83Å; T93-A97 VanDerWaalsContact O-N 3.08Å; L94-A97 PolarHBondContact O-N 3.08Å; A97-C99 PolarHBondContact O-N 3.46Å; A97-C99 VanDerWaalsContact O-N 3.11Å; A97-C99 PolarHBondContact O-SG 2.97Å
98D92.5Very high95Very high59 Ų5935.9 Ų35.932%0.31620%0.203SC..THydrogen-bonded Turntrans48.835.1-177.3-160.438.3000113.2L94 G95 P100 P101 G102 M103 K104L94-D98 PolarHBondContact O-N 3.13Å; G95-D98 PolarHBondContact O-N 3.17Å; D98-P100 CarbonylContact C-O 3.4Å; D98-P100 CarbonylContact O-C 3.56Å; D98-P100 VanDerWaalsContact O-C 3.31Å; D98-P101 WeakPolarHBondContact O-CA 2.82Å; D98-G102 PolarHBondContact OD1-N 3.14Å; D98-G102 VanDerWaalsContact OD1-N 3.11Å; D98-M103 PolarHBondContact OD1-N 3.27Å; D98-K104 HydrophobicContact CB-CB 4.35Å; D98-K104 WeakPolarHBondContact OD1-CB 3.21Å; D98-K104 PolarHBondContact OD1-N 3.07Å
99C89.4Confident95Very high55 Ų5537.7 Ų37.737%0.37221%0.214SC..  trans-121.3119.6175.6-63.70000106.2Y37 A97Y37-C99 WeakPolarHBondContact CE1-O 3.5Å; Y37-C99 PolarHBondContact OH-O 3.45Å; A97-C99 PolarHBondContact O-N 3.46Å; A97-C99 VanDerWaalsContact O-N 3.11Å; A97-C99 PolarHBondContact O-SG 2.97Å
100P91.8Very high95Very high1 Ų135.5 Ų35.51%0.00620%0.204CC..SBendcis-66156.2-227.3-31.3000112.7Y36 Y37 A45 V47 T50 I52 D98 G102 M103Y36-P100 HydrophobicContact CE1-CG 3.93Å; Y37-P100 VanDerWaalsContact OH-CD 3.32Å; Y37-P100 WeakPolarHBondContact OH-CD 3.07Å; A45-P100 WeakPolarHBondContact O-CB 3.39Å; V47-P100 HydrophobicContact CB-CG 3.99Å; V47-P100 HydrophobicContact CG2-CG 4.07Å; T50-P100 HydrophobicContact CG2-CG 4.42Å; I52-P100 HydrophobicContact CD1-CG 4.19Å; D98-P100 CarbonylContact C-O 3.4Å; D98-P100 CarbonylContact O-C 3.56Å; D98-P100 VanDerWaalsContact O-C 3.31Å; P100-G102 PolarHBondContact O-N 3.21Å; P100-M103 VanDerWaalsContact O-CB 3.26Å; P100-M103 WeakPolarHBondContact O-CB 3.28Å; P100-M103 PolarHBondContact O-N 3.11Å
101P92.1Very high95.1Very high58 Ų5832.9 Ų32.938%0.37719%0.188SC..THydrogen-bonded Turntrans-51.7129.2-179.6-2934.3000113D43 A45 V47 D98D43-P101 VanDerWaalsContact O-CD 3.29Å; D43-P101 WeakPolarHBondContact O-CD 3.41Å; A45-P101 WeakPolarHBondContact O-CD 3.44Å; V47-P101 PolarHBondContact N-O 3.49Å; D98-P101 WeakPolarHBondContact O-CA 2.82Å
102G93.3Very high95.1Very high19 Ų1933.6 Ų33.620%0.19619%0.192CC..THydrogen-bonded Turntrans95.4-2.9-176.800000114V47 D98 P100 K104 Q105 Q106V47-G102 VanDerWaalsContact CG1-C 3.46Å; D98-G102 PolarHBondContact OD1-N 3.14Å; D98-G102 VanDerWaalsContact OD1-N 3.11Å; P100-G102 PolarHBondContact O-N 3.21Å; G102-K104 PolarHBondContact O-N 3.1Å; G102-Q105 VanDerWaalsContact O-CB 3.24Å; G102-Q105 WeakPolarHBondContact O-CB 3.36Å; G102-Q105 PolarHBondContact O-N 3.18Å; G102-Q106 PolarHBondContact O-N 2.94Å
103M94.9Very high95.1Very high0 Ų035.8 Ų35.80%020%0.202CC..Hα-helixtrans-58.2-35.1174.7-173.561.1-177.200112V47 I52 L91 L94 D98 P100 Q105 Q106 V107V47-M103 HydrophobicContact CG2-SD 4.17Å; I52-M103 HydrophobicContact CG2-CE 4.12Å; I52-M103 HydrophobicContact CG2-SD 3.92Å; L91-M103 HydrophobicContact CD2-CE 4.23Å; L94-M103 HydrophobicContact CB-CE 3.82Å; L94-M103 HydrophobicContact CB-CG 4.18Å; L94-M103 HydrophobicContact CD1-CE 3.93Å; D98-M103 PolarHBondContact OD1-N 3.27Å; P100-M103 VanDerWaalsContact O-CB 3.26Å; P100-M103 WeakPolarHBondContact O-CB 3.28Å; P100-M103 PolarHBondContact O-N 3.11Å; M103-Q105 VanDerWaalsContact C-N 3.28Å; M103-Q105 PolarHBondContact O-N 2.85Å; M103-Q106 PolarHBondContact O-N 3.23Å; M103-Q106 HydrophobicContact SD-CB 4.47Å; M103-V107 HydrophobicContact CE-CG2 3.83Å; M103-V107 HydrophobicContact CG-CG2 4.32Å; M103-V107 WeakPolarHBondContact O-CG2 3.34Å; M103-V107 PolarHBondContact O-N 2.84Å; M103-V107 HydrophobicContact SD-CG2 4.45Å
104K95.3Very high95.2Very high30 Ų3032.1 Ų32.113%0.1318%0.179CC..Hα-helixtrans-55.5-44.2173.4-172.4-174.1-177.5-171.50111.6G95 D98 G102 V107 L108 L138 T147 E151G95-K104 WeakPolarHBondContact O-CB 3.46Å; D98-K104 HydrophobicContact CB-CB 4.35Å; D98-K104 WeakPolarHBondContact OD1-CB 3.21Å; D98-K104 PolarHBondContact OD1-N 3.07Å; G102-K104 PolarHBondContact O-N 3.1Å; K104-V107 PolarHBondContact O-N 3.34Å; K104-L108 HydrophobicContact CG-CD1 4.03Å; K104-L108 WeakPolarHBondContact O-CB 3.44Å; K104-L108 WeakPolarHBondContact O-CG 3.45Å; K104-L108 PolarHBondContact O-N 3.01Å; K104-L138 PolarHBondContact NZ-O 2.92Å; K104-T147 HydrophobicContact CB-CG2 4.49Å; K104-T147 HydrophobicContact CD-CG2 4.28Å; K104-E151 WeakPolarHBondContact CE-OE1 3.41Å; K104-E151 IonicContact NZ-OE1 3.87Å; K104-E151 PolarHBondContact NZ-OE1 2.99Å
105Q96.1Very high95.2Very high63 Ų6331 Ų3129%0.29417%0.174SC..Hα-helixtrans-61.4-45.1178.7-165.7-1736.400111.5G102 M103 L108 T109 T147 E150G102-Q105 VanDerWaalsContact O-CB 3.24Å; G102-Q105 WeakPolarHBondContact O-CB 3.36Å; G102-Q105 PolarHBondContact O-N 3.18Å; M103-Q105 VanDerWaalsContact C-N 3.28Å; M103-Q105 PolarHBondContact O-N 2.85Å; Q105-L108 PolarHBondContact O-N 3.03Å; Q105-T109 WeakPolarHBondContact O-CB 3.36Å; Q105-T109 PolarHBondContact O-N 3.45Å; Q105-T109 PolarHBondContact O-OG1 2.94Å; Q105-T147 HydrophobicContact CB-CG2 4.1Å; Q105-E150 VanDerWaalsContact CG-CD 3.45Å; Q105-E150 HydrophobicContact CG-CG 3.65Å; Q105-E150 PolarHBondContact NE2-OE1 3.45Å
106Q97Very high95.2Very high35 Ų3533.2 Ų33.216%0.16419%0.192CC..Hα-helixtrans-65.4-41.1179.2-61.4-56.6-43.300111.7V47 P53 L56 G102 M103 T109 F110V47-Q106 HydrophobicContact CG1-CG 3.73Å; V47-Q106 HydrophobicContact CG2-CG 3.98Å; P53-Q106 HydrophobicContact CG-CG 4.36Å; L56-Q106 HydrophobicContact CD1-CB 3.85Å; G102-Q106 PolarHBondContact O-N 2.94Å; M103-Q106 PolarHBondContact O-N 3.23Å; M103-Q106 HydrophobicContact SD-CB 4.47Å; Q106-T109 PolarHBondContact O-N 3.32Å; Q106-F110 WeakPolarHBondContact O-CB 3.34Å; Q106-F110 PolarHBondContact O-N 2.98Å
107V97.6Very high95.1Very high0 Ų032.2 Ų32.20%019%0.189CC..Hα-helixtrans-65.5-47.7176.9172.80000111L91 M103 K104 T109 F110 Y111 L135L91-V107 HydrophobicContact CB-CG1 4.41Å; L91-V107 HydrophobicContact CB-CG2 4.43Å; L91-V107 WeakPolarHBondContact O-CG2 3.47Å; M103-V107 HydrophobicContact CE-CG2 3.83Å; M103-V107 HydrophobicContact CG-CG2 4.32Å; M103-V107 WeakPolarHBondContact O-CG2 3.34Å; M103-V107 PolarHBondContact O-N 2.84Å; M103-V107 HydrophobicContact SD-CG2 4.45Å; K104-V107 PolarHBondContact O-N 3.34Å; V107-T109 VanDerWaalsContact C-N 3.3Å; V107-T109 PolarHBondContact O-N 2.74Å; V107-F110 PolarHBondContact O-N 3.44Å; V107-Y111 HydrophobicContact CG1-CD2 3.79Å; V107-Y111 HydrophobicContact CG1-CE2 3.75Å; V107-Y111 VanDerWaalsContact O-CD2 3.28Å; V107-Y111 WeakPolarHBondContact O-CD2 3.3Å; V107-Y111 PolarHBondContact O-N 3.43Å; V107-L135 HydrophobicContact CG1-CD1 4.39Å; V107-L135 HydrophobicContact CG1-CD2 4.37Å
108L97.7Very high94.9Very high0 Ų029.5 Ų29.50%017%0.166CC..Hα-helixtrans-58.7-43.5176.2-74.9165.8000111.5K104 Q105 F110 Y111 T112 L135 E150 E151 F154K104-L108 HydrophobicContact CG-CD1 4.03Å; K104-L108 WeakPolarHBondContact O-CB 3.44Å; K104-L108 WeakPolarHBondContact O-CG 3.45Å; K104-L108 PolarHBondContact O-N 3.01Å; Q105-L108 PolarHBondContact O-N 3.03Å; L108-F110 PolarHBondContact O-N 3.2Å; L108-Y111 PolarHBondContact O-N 2.89Å; L108-T112 VanDerWaalsContact O-CB 3.29Å; L108-T112 WeakPolarHBondContact O-CB 3.32Å; L108-T112 PolarHBondContact O-N 3.2Å; L108-T112 PolarHBondContact O-OG1 3.29Å; L108-L135 HydrophobicContact CD2-CD1 3.93Å; L108-L135 HydrophobicContact CD2-CD2 3.93Å; L108-L135 HydrophobicContact CD2-CG 3.79Å; L108-L135 HydrophobicContact CG-CD1 4.42Å; L108-E150 HydrophobicContact CB-CB 3.89Å; L108-E150 HydrophobicContact CD1-CB 4.13Å; L108-E151 HydrophobicContact CD1-CB 4.48Å; L108-E151 HydrophobicContact CD1-CG 3.55Å; L108-F154 HydrophobicContact CD2-CB 3.97Å; L108-F154 HydrophobicContact CD2-CD1 3.79Å; L108-F154 HydrophobicContact CD2-CE1 4.48Å; L108-F154 HydrophobicContact CD2-CG 3.91Å
109T97.6Very high94.5Very high41 Ų4136.4 Ų36.425%0.25219%0.187SC..Hα-helixtrans-61.4-45.5176.5-58.90000111.4Q105 Q106 V107 T112 K113Q105-T109 WeakPolarHBondContact O-CB 3.36Å; Q105-T109 PolarHBondContact O-N 3.45Å; Q105-T109 PolarHBondContact O-OG1 2.94Å; Q106-T109 PolarHBondContact O-N 3.32Å; V107-T109 VanDerWaalsContact C-N 3.3Å; V107-T109 PolarHBondContact O-N 2.74Å; T109-T112 PolarHBondContact O-N 2.94Å; T109-K113 HydrophobicContact CG2-CD 4.23Å; T109-K113 WeakPolarHBondContact O-CB 3.33Å; T109-K113 WeakPolarHBondContact O-CG 3.5Å; T109-K113 PolarHBondContact O-N 3.31Å
110F98.1Very high94.3Very high2 Ų235.3 Ų35.31%0.00918%0.177CC..Hα-helixtrans-60.2-49.6178.2-179.9-87.7000111.7L56 M59 L60 L82 L88 L91 Q106 V107 L108 T112 K113 L114L56-F110 HydrophobicContact CB-CD2 4.09Å; L56-F110 HydrophobicContact CD2-CD2 3.78Å; L56-F110 HydrophobicContact CD2-CE2 4.17Å; L56-F110 HydrophobicContact CD2-CG 4.22Å; M59-F110 HydrophobicContact CB-CE2 4.19Å; L60-F110 HydrophobicContact CD1-CD2 3.73Å; L60-F110 HydrophobicContact CD1-CE2 4.23Å; L60-F110 HydrophobicContact CD1-CG 4.38Å; L60-F110 HydrophobicContact CD2-CD2 3.78Å; L60-F110 HydrophobicContact CD2-CE1 4.45Å; L60-F110 HydrophobicContact CD2-CE2 3.57Å; L60-F110 HydrophobicContact CD2-CG 4.32Å; L60-F110 HydrophobicContact CD2-CZ 3.93Å; L60-F110 HydrophobicContact CG-CD2 3.5Å; L60-F110 HydrophobicContact CG-CE2 3.47Å; L60-F110 VanDerWaalsContact CG-CE2 3.47Å; L60-F110 HydrophobicContact CG-CG 4.4Å; L60-F110 HydrophobicContact CG-CZ 4.32Å; L82-F110 HydrophobicContact CD1-CZ 4.49Å; L88-F110 HydrophobicContact CD2-CD1 4.42Å; L88-F110 HydrophobicContact CD2-CE1 3.77Å; L91-F110 HydrophobicContact CD1-CD1 3.78Å; L91-F110 HydrophobicContact CD1-CE1 3.71Å; L91-F110 HydrophobicContact CD1-CG 4.4Å; L91-F110 HydrophobicContact CD1-CZ 4.26Å; Q106-F110 WeakPolarHBondContact O-CB 3.34Å; Q106-F110 PolarHBondContact O-N 2.98Å; V107-F110 PolarHBondContact O-N 3.44Å; L108-F110 PolarHBondContact O-N 3.2Å; F110-T112 PolarHBondContact O-N 3.19Å; F110-K113 PolarHBondContact O-N 3.27Å; F110-L114 HydrophobicContact CE1-CD2 4.13Å; F110-L114 VanDerWaalsContact O-CB 3.25Å; F110-L114 WeakPolarHBondContact O-CB 3.48Å; F110-L114 PolarHBondContact O-N 3.39Å
111Y97.9Very high94.1Very high1 Ų138.7 Ų38.70%0.00420%0.199CC..Hα-helixtrans-62.1-42.8177.9-90.3-103.4000112.5L88 L91 V107 L108 L114 L115 P131 V132 L135 F154L88-Y111 WeakPolarHBondContact CA-OH 3.29Å; L88-Y111 HydrophobicContact CB-CE1 4.41Å; L88-Y111 WeakPolarHBondContact CB-OH 3.45Å; L88-Y111 HydrophobicContact CD1-CE1 4.47Å; L88-Y111 HydrophobicContact CD2-CE1 4.35Å; L88-Y111 HydrophobicContact CD2-CE2 4.19Å; L88-Y111 PolarHBondContact O-OH 2.87Å; L91-Y111 HydrophobicContact CB-CE2 4.21Å; V107-Y111 HydrophobicContact CG1-CD2 3.79Å; V107-Y111 HydrophobicContact CG1-CE2 3.75Å; V107-Y111 VanDerWaalsContact O-CD2 3.28Å; V107-Y111 WeakPolarHBondContact O-CD2 3.3Å; V107-Y111 PolarHBondContact O-N 3.43Å; L108-Y111 PolarHBondContact O-N 2.89Å; Y111-L114 PolarHBondContact O-N 3.24Å; Y111-L115 WeakPolarHBondContact O-CB 3.11Å; Y111-L115 VanDerWaalsContact O-CG 3.31Å; Y111-L115 WeakPolarHBondContact O-CG 3.5Å; Y111-L115 PolarHBondContact O-N 3.33Å; Y111-P131 HydrophobicContact CE1-CB 4.14Å; Y111-P131 WeakPolarHBondContact OH-CB 3.3Å; Y111-V132 HydrophobicContact CD1-CG2 3.92Å; Y111-V132 HydrophobicContact CE1-CG2 3.91Å; Y111-L135 HydrophobicContact CD1-CD2 3.9Å; Y111-L135 HydrophobicContact CD2-CD2 3.8Å; Y111-L135 HydrophobicContact CE1-CD2 4.26Å; Y111-L135 HydrophobicContact CE2-CD2 4.17Å; Y111-L135 HydrophobicContact CG-CD2 3.61Å; Y111-F154 HydrophobicContact CD1-CE2 4.25Å; Y111-F154 HydrophobicContact CG-CE2 4.42Å
112T97.6Very high93.9Very high14 Ų1436.3 Ų36.39%0.08618%0.183CC..Hα-helixtrans-60-50.8178-58.10000110.5L108 T109 F110 A116 Q153 F154 I157L108-T112 VanDerWaalsContact O-CB 3.29Å; L108-T112 WeakPolarHBondContact O-CB 3.32Å; L108-T112 PolarHBondContact O-N 3.2Å; L108-T112 PolarHBondContact O-OG1 3.29Å; T109-T112 PolarHBondContact O-N 2.94Å; F110-T112 PolarHBondContact O-N 3.19Å; T112-A116 WeakPolarHBondContact O-CB 3.24Å; T112-A116 PolarHBondContact O-N 2.94Å; T112-Q153 HydrophobicContact CG2-CB 4.29Å; T112-F154 VanDerWaalsContact OG1-CA 3.27Å; T112-F154 WeakPolarHBondContact OG1-CA 3.04Å; T112-F154 VanDerWaalsContact OG1-CB 3.31Å; T112-F154 WeakPolarHBondContact OG1-CB 3.32Å; T112-I157 HydrophobicContact CG2-CB 4.45Å; T112-I157 HydrophobicContact CG2-CG1 3.7Å
113K97.1Very high93.8Very high75 Ų7535.7 Ų35.733%0.32618%0.175SC..Hα-helixtrans-64.2-44.3178.1-72.5-176.8177.2-175.20111.5E57 L60 T109 F110 L115 A116 H117E57-K113 IonicContact OE1-NZ 3.83Å; L60-K113 HydrophobicContact CD1-CB 3.65Å; L60-K113 HydrophobicContact CD1-CD 3.72Å; L60-K113 HydrophobicContact CD1-CG 4.33Å; L60-K113 HydrophobicContact CD2-CB 4.47Å; T109-K113 HydrophobicContact CG2-CD 4.23Å; T109-K113 WeakPolarHBondContact O-CB 3.33Å; T109-K113 WeakPolarHBondContact O-CG 3.5Å; T109-K113 PolarHBondContact O-N 3.31Å; F110-K113 PolarHBondContact O-N 3.27Å; K113-L115 PolarHBondContact O-N 2.74Å; K113-A116 PolarHBondContact O-N 2.98Å; K113-H117 WeakPolarHBondContact O-CB 3.2Å; K113-H117 PolarHBondContact O-N 3.14Å; K113-H117 PolarHBondContact O-ND1 3.48Å
114L96.5Very high93.6Very high2 Ų238.2 Ų38.21%0.0119%0.191CC..Hα-helixtrans-57.5-50.5178.8-177.371.6000111.3L60 L63 M79 L88 F110 Y111 A116 I118 L122L60-L114 HydrophobicContact CD2-CB 3.87Å; L60-L114 HydrophobicContact CD2-CD1 4.08Å; L63-L114 HydrophobicContact CD1-CD1 3.78Å; M79-L114 HydrophobicContact CE-CD1 4.26Å; L88-L114 HydrophobicContact CD1-CD2 4.11Å; L88-L114 HydrophobicContact CD2-CD2 3.8Å; F110-L114 HydrophobicContact CE1-CD2 4.13Å; F110-L114 VanDerWaalsContact O-CB 3.25Å; F110-L114 WeakPolarHBondContact O-CB 3.48Å; F110-L114 PolarHBondContact O-N 3.39Å; Y111-L114 PolarHBondContact O-N 3.24Å; L114-A116 VanDerWaalsContact C-N 3.32Å; L114-A116 PolarHBondContact O-N 3.36Å; L114-I118 HydrophobicContact CD1-CG1 3.74Å; L114-I118 HydrophobicContact CG-CG1 4.42Å; L114-I118 WeakPolarHBondContact O-CB 3.4Å; L114-I118 VanDerWaalsContact O-CG1 3.27Å; L114-I118 WeakPolarHBondContact O-CG1 3.39Å; L114-I118 PolarHBondContact O-N 2.89Å; L114-L122 HydrophobicContact CD1-CD1 4.39Å; L114-L122 HydrophobicContact CD2-CD1 4.41Å; L114-L122 HydrophobicContact CG-CD1 3.99Å
115L95.4Very high93.4Very high4 Ų440.3 Ų40.32%0.02120%0.201CC..Hα-helixtrans-67.9-32.6179.7-67.1176.7000112Y111 K113 L122 L123 V128 V132 F154 I157 V158 K161Y111-L115 WeakPolarHBondContact O-CB 3.11Å; Y111-L115 VanDerWaalsContact O-CG 3.31Å; Y111-L115 WeakPolarHBondContact O-CG 3.5Å; Y111-L115 PolarHBondContact O-N 3.33Å; K113-L115 PolarHBondContact O-N 2.74Å; L115-L122 HydrophobicContact CD2-CB 4.48Å; L115-L123 HydrophobicContact CD1-CD2 4.41Å; L115-L123 HydrophobicContact CD2-CD2 3.8Å; L115-L123 HydrophobicContact CD2-CG 4.33Å; L115-V128 HydrophobicContact CD2-CG1 4.33Å; L115-V132 HydrophobicContact CD1-CG2 4.23Å; L115-F154 HydrophobicContact CD1-CE2 4.1Å; L115-I157 HydrophobicContact CB-CG2 3.59Å; L115-I157 HydrophobicContact CD1-CG2 4.44Å; L115-V158 HydrophobicContact CD1-CG2 4.18Å; L115-K161 WeakPolarHBondContact O-CE 3.32Å; L115-K161 PolarHBondContact O-NZ 2.83Å
116A94.6Very high93.1Very high48 Ų4841 Ų4140%0.39721%0.206SC..Hα-helixtrans-74.2-41.4179.900000113.4T112 K113 L114 I157T112-A116 WeakPolarHBondContact O-CB 3.24Å; T112-A116 PolarHBondContact O-N 2.94Å; K113-A116 PolarHBondContact O-N 2.98Å; L114-A116 VanDerWaalsContact C-N 3.32Å; L114-A116 PolarHBondContact O-N 3.36Å; A116-I157 HydrophobicContact CB-CD1 4.08Å
117H91.2Very high92.9Very high109 Ų10941.5 Ų41.551%0.50521%0.21SC..Hα-helixtrans-94.1-29.2-168.8-63.189.6000114.1K113K113-H117 WeakPolarHBondContact O-CB 3.2Å; K113-H117 PolarHBondContact O-N 3.14Å; K113-H117 PolarHBondContact O-ND1 3.48Å
118I89.9Confident92.7Very high3 Ų341.6 Ų41.62%0.01521%0.211CC..  trans-78.1126-179.9-58-58.9000110.1L63 E67 M79 L114 Q120 L122L63-I118 HydrophobicContact CB-CD1 4.12Å; E67-I118 HydrophobicContact CB-CD1 4.42Å; M79-I118 HydrophobicContact CE-CD1 4.27Å; M79-I118 HydrophobicContact CE-CG1 4.08Å; M79-I118 HydrophobicContact CE-CG2 4.01Å; L114-I118 HydrophobicContact CD1-CG1 3.74Å; L114-I118 HydrophobicContact CG-CG1 4.42Å; L114-I118 WeakPolarHBondContact O-CB 3.4Å; L114-I118 VanDerWaalsContact O-CG1 3.27Å; L114-I118 WeakPolarHBondContact O-CG1 3.39Å; L114-I118 PolarHBondContact O-N 2.89Å; I118-Q120 HydrophobicContact CG2-CG 3.41Å; I118-Q120 VanDerWaalsContact CG2-CG 3.41Å; I118-L122 HydrophobicContact CB-CD1 3.77Å; I118-L122 HydrophobicContact CB-CG 4.36Å; I118-L122 HydrophobicContact CG1-CD1 4.17Å; I118-L122 HydrophobicContact CG2-CD1 3.75Å; I118-L122 HydrophobicContact CG2-CD2 4.07Å; I118-L122 HydrophobicContact CG2-CG 3.87Å
119R83.1Confident92.4Very high205 Ų20542.6 Ų42.677%0.77422%0.216SC*.  trans-83.1-38.7-173.4-59.7178.1-177160.12.2112.3E67E67-R119 WeakPolarHBondContact OE1-CB 3.18Å; E67-R119 PolarHBondContact OE1-N 3.28Å
120Q85.6Confident92.1Very high31 Ų3146.9 Ų46.915%0.14523%0.227CC..SBendtrans-56.3144.517459.4-178.4-37.100111.9E67 T75 I118 L122E67-Q120 PolarHBondContact OE1-N 3.48Å; E67-Q120 PolarHBondContact OE2-NE2 2.89Å; T75-Q120 PolarHBondContact OG1-OE1 3.31Å; I118-Q120 HydrophobicContact CG2-CG 3.41Å; I118-Q120 VanDerWaalsContact CG2-CG 3.41Å; Q120-L122 HydrophobicContact CG-CD2 3.95Å; Q120-L122 HydrophobicContact CG-CG 4.49Å; Q120-L122 PolarHBondContact O-N 2.75Å
121P86.6Confident92Very high72 Ų7246.9 Ų46.947%0.46823%0.227SC..  trans-71.297.6-177.429-34.6000110.6P124P121-P124 HydrophobicContact CB-CG 4.21Å; P121-P124 WeakPolarHBondContact O-CD 3.23Å
122L89.3Confident91.8Very high9 Ų946.8 Ų46.85%0.04723%0.227CC..  trans-79.4-38.2-176.6-67.8-177.6000113.8M79 L114 L115 I118 Q120 P124 H125 V128M79-L122 HydrophobicContact CE-CD1 4.23Å; M79-L122 HydrophobicContact CE-CD2 3.87Å; M79-L122 HydrophobicContact CG-CD2 4.46Å; M79-L122 HydrophobicContact SD-CD2 3.81Å; L114-L122 HydrophobicContact CD1-CD1 4.39Å; L114-L122 HydrophobicContact CD2-CD1 4.41Å; L114-L122 HydrophobicContact CG-CD1 3.99Å; L115-L122 HydrophobicContact CD2-CB 4.48Å; I118-L122 HydrophobicContact CB-CD1 3.77Å; I118-L122 HydrophobicContact CB-CG 4.36Å; I118-L122 HydrophobicContact CG1-CD1 4.17Å; I118-L122 HydrophobicContact CG2-CD1 3.75Å; I118-L122 HydrophobicContact CG2-CD2 4.07Å; I118-L122 HydrophobicContact CG2-CG 3.87Å; Q120-L122 HydrophobicContact CG-CD2 3.95Å; Q120-L122 HydrophobicContact CG-CG 4.49Å; Q120-L122 PolarHBondContact O-N 2.75Å; L122-P124 VanDerWaalsContact C-CD 3.41Å; L122-H125 WeakPolarHBondContact O-CB 3.22Å; L122-H125 PolarHBondContact O-CD2 3.49Å; L122-H125 PolarHBondContact O-N 2.77Å; L122-V128 HydrophobicContact CB-CG1 4.14Å; L122-V128 HydrophobicContact CB-CG2 4.38Å; L122-V128 WeakPolarHBondContact O-CB 3.44Å; L122-V128 WeakPolarHBondContact O-CG2 3.3Å
123L91.5Very high91.6Very high6 Ų648 Ų483%0.03123%0.231CC..THydrogen-bonded Turntrans-58.8-35.4-173.4-68.3-178.6000114.8L115 H125 V128 H129 V132 K161 L168 F172L115-L123 HydrophobicContact CD1-CD2 4.41Å; L115-L123 HydrophobicContact CD2-CD2 3.8Å; L115-L123 HydrophobicContact CD2-CG 4.33Å; L123-H125 PolarHBondContact O-N 2.66Å; L123-H125 VanDerWaalsContact O-N 3.14Å; L123-V128 HydrophobicContact CD2-CG1 4.32Å; L123-H129 VanDerWaalsContact O-CB 3.29Å; L123-H129 WeakPolarHBondContact O-CB 3.32Å; L123-H129 PolarHBondContact O-ND1 2.85Å; L123-V132 HydrophobicContact CD2-CG1 4.33Å; L123-V132 HydrophobicContact CD2-CG2 4.22Å; L123-K161 HydrophobicContact CD1-CB 3.53Å; L123-K161 HydrophobicContact CD1-CG 4.34Å; L123-L168 HydrophobicContact CB-CD1 3.55Å; L123-L168 HydrophobicContact CD1-CD1 4.11Å; L123-L168 HydrophobicContact CG-CD1 4.49Å; L123-F172 HydrophobicContact CD2-CZ 4.02Å
124P90.8Very high91.4Very high53 Ų5347.2 Ų47.234%0.34423%0.228SC..THydrogen-bonded Turntrans-55.8-28.9173.7-25.132.7000114P121 L122 I126 Y167 L168P121-P124 HydrophobicContact CB-CG 4.21Å; P121-P124 WeakPolarHBondContact O-CD 3.23Å; L122-P124 VanDerWaalsContact C-CD 3.41Å; P124-I126 PolarHBondContact O-N 2.87Å; P124-Y167 HydrophobicContact CG-CE2 4.34Å; P124-Y167 WeakPolarHBondContact CG-OH 3.23Å; P124-L168 HydrophobicContact CB-CD2 4.42Å; P124-L168 HydrophobicContact CG-CD1 4.32Å; P124-L168 HydrophobicContact CG-CD2 4.09Å
125H90.8Very high91.3Very high73 Ų7347.2 Ų47.234%0.33823%0.228SC..SBendtrans-69.2132.8-178.3-65.8-79.2000112.3L83 L122 L123 N127 V128 H129L83-H125 HydrophobicContact CD2-CB 4.36Å; L122-H125 WeakPolarHBondContact O-CB 3.22Å; L122-H125 PolarHBondContact O-CD2 3.49Å; L122-H125 PolarHBondContact O-N 2.77Å; L123-H125 PolarHBondContact O-N 2.66Å; L123-H125 VanDerWaalsContact O-N 3.14Å; H125-N127 VanDerWaalsContact C-N 3.27Å; H125-N127 PolarHBondContact O-N 3.35Å; H125-V128 HydrophobicContact CB-CB 4.38Å; H125-V128 HydrophobicContact CB-CG2 3.95Å; H125-V128 WeakPolarHBondContact O-CA 3.19Å; H125-V128 PolarHBondContact O-N 3.29Å; H125-H129 PolarHBondContact O-N 3.48Å; H125-H129 PolarHBondContact O-ND1 3.18Å; H125-H129 VanDerWaalsContact O-ND1 3.16Å
126I89.7Confident91.2Very high77 Ų7747.1 Ų47.140%0.39523%0.228SC..Hα-helixtrans-60.8-33.3-177.4-164.5168.1000114.5P124 V128 H129 R130P124-I126 PolarHBondContact O-N 2.87Å; I126-V128 PolarHBondContact O-N 3.5Å; I126-H129 WeakPolarHBondContact CA-CE1 3.09Å; I126-R130 HydrophobicContact CG1-CG 4.25Å; I126-R130 WeakPolarHBondContact O-CB 3.33Å; I126-R130 PolarHBondContact O-N 3.43Å
127N91.8Very high91Very high46 Ų4650.1 Ų50.125%0.24623%0.229CC..Hα-helixtrans-80.50.5177.7-62.5-27.6000112.5L83 H125 P131L83-N127 HydrophobicContact CD2-CB 4.44Å; L83-N127 PolarHBondContact O-ND2 3.06Å; H125-N127 VanDerWaalsContact C-N 3.27Å; H125-N127 PolarHBondContact O-N 3.35Å; N127-P131 WeakPolarHBondContact O-CG 3.5Å
128V94.3Very high91Very high2 Ų245.6 Ų45.61%0.01221%0.208CC..Hα-helixtrans-111.2-56.9173.3-175.50000110.5L83 L88 L115 L122 L123 H125 I126 R130 P131 V132L83-V128 HydrophobicContact CD2-CG2 3.46Å; L83-V128 VanDerWaalsContact CD2-CG2 3.46Å; L88-V128 HydrophobicContact CD1-CB 4.28Å; L88-V128 HydrophobicContact CD1-CG1 4.18Å; L88-V128 HydrophobicContact CD1-CG2 3.93Å; L115-V128 HydrophobicContact CD2-CG1 4.33Å; L122-V128 HydrophobicContact CB-CG1 4.14Å; L122-V128 HydrophobicContact CB-CG2 4.38Å; L122-V128 WeakPolarHBondContact O-CB 3.44Å; L122-V128 WeakPolarHBondContact O-CG2 3.3Å; L123-V128 HydrophobicContact CD2-CG1 4.32Å; H125-V128 HydrophobicContact CB-CB 4.38Å; H125-V128 HydrophobicContact CB-CG2 3.95Å; H125-V128 WeakPolarHBondContact O-CA 3.19Å; H125-V128 PolarHBondContact O-N 3.29Å; I126-V128 PolarHBondContact O-N 3.5Å; V128-R130 VanDerWaalsContact C-N 3.3Å; V128-R130 PolarHBondContact O-N 3.18Å; V128-P131 VanDerWaalsContact O-CD 3.27Å; V128-P131 WeakPolarHBondContact O-CD 3.36Å; V128-V132 HydrophobicContact CG1-CG2 4.1Å; V128-V132 WeakPolarHBondContact O-CB 3.17Å; V128-V132 WeakPolarHBondContact O-CG2 3.28Å; V128-V132 PolarHBondContact O-N 3.17Å
129H91.1Very high91.1Very high22 Ų2245.4 Ų45.410%0.10221%0.207CC..Hα-helixtrans-62.9-34.8-175.164.9-105.6000113.4L123 H125 I126 V132 Q133 F172L123-H129 VanDerWaalsContact O-CB 3.29Å; L123-H129 WeakPolarHBondContact O-CB 3.32Å; L123-H129 PolarHBondContact O-ND1 2.85Å; H125-H129 PolarHBondContact O-N 3.48Å; H125-H129 PolarHBondContact O-ND1 3.18Å; H125-H129 VanDerWaalsContact O-ND1 3.16Å; I126-H129 WeakPolarHBondContact CA-CE1 3.09Å; H129-V132 PolarHBondContact O-N 3.24Å; H129-Q133 WeakPolarHBondContact O-CB 3.39Å; H129-Q133 WeakPolarHBondContact O-CG 3.5Å; H129-Q133 PolarHBondContact O-N 3Å; H129-F172 HydrophobicContact CB-CE1 4.49Å; H129-F172 HydrophobicContact CB-CE2 4.21Å; H129-F172 HydrophobicContact CB-CZ 3.66Å
130R92.1Very high91.2Very high131 Ų13135.8 Ų35.849%0.49417%0.172SC..Hα-helixtrans-66.1-50.2-179.9-74.1-175.7179173.4-2111.8I126 V128 Q133 K134I126-R130 HydrophobicContact CG1-CG 4.25Å; I126-R130 WeakPolarHBondContact O-CB 3.33Å; I126-R130 PolarHBondContact O-N 3.43Å; V128-R130 VanDerWaalsContact C-N 3.3Å; V128-R130 PolarHBondContact O-N 3.18Å; R130-Q133 PolarHBondContact O-N 2.76Å; R130-K134 WeakPolarHBondContact O-CG 3.3Å; R130-K134 PolarHBondContact O-N 2.6Å
131P94.6Very high91.2Very high1 Ų139.4 Ų39.41%0.00619%0.188CC..Hα-helixtrans-60-41171.8-2633.2000113.6L88 E89 Y111 N127 V128 Q133 K134 L135L88-P131 HydrophobicContact CB-CB 4.14Å; L88-P131 HydrophobicContact CB-CG 4.06Å; E89-P131 HydrophobicContact CB-CG 4.08Å; Y111-P131 HydrophobicContact CE1-CB 4.14Å; Y111-P131 WeakPolarHBondContact OH-CB 3.3Å; N127-P131 WeakPolarHBondContact O-CG 3.5Å; V128-P131 VanDerWaalsContact O-CD 3.27Å; V128-P131 WeakPolarHBondContact O-CD 3.36Å; P131-Q133 PolarHBondContact O-N 3.18Å; P131-K134 PolarHBondContact O-N 3.23Å; P131-L135 WeakPolarHBondContact O-CB 3.43Å; P131-L135 PolarHBondContact O-N 3.04Å
132V95.3Very high91.1Very high0 Ų040.5 Ų40.50%019%0.194CC..Hα-helixtrans-60-47.5176.2173.80000111Y111 L115 L123 V128 H129 K134 L135 I136 F154 V158 F172Y111-V132 HydrophobicContact CD1-CG2 3.92Å; Y111-V132 HydrophobicContact CE1-CG2 3.91Å; L115-V132 HydrophobicContact CD1-CG2 4.23Å; L123-V132 HydrophobicContact CD2-CG1 4.33Å; L123-V132 HydrophobicContact CD2-CG2 4.22Å; V128-V132 HydrophobicContact CG1-CG2 4.1Å; V128-V132 WeakPolarHBondContact O-CB 3.17Å; V128-V132 WeakPolarHBondContact O-CG2 3.28Å; V128-V132 PolarHBondContact O-N 3.17Å; H129-V132 PolarHBondContact O-N 3.24Å; V132-K134 VanDerWaalsContact C-N 3.3Å; V132-K134 PolarHBondContact O-N 2.83Å; V132-L135 PolarHBondContact O-N 2.72Å; V132-L135 VanDerWaalsContact O-N 3.17Å; V132-I136 HydrophobicContact CG1-CD1 4.05Å; V132-I136 VanDerWaalsContact O-CG1 3.28Å; V132-I136 WeakPolarHBondContact O-CG1 3.18Å; V132-I136 PolarHBondContact O-N 3.41Å; V132-F154 HydrophobicContact CG1-CE2 4.38Å; V132-F154 HydrophobicContact CG1-CZ 3.87Å; V132-V158 HydrophobicContact CG1-CG2 3.86Å; V132-F172 HydrophobicContact CB-CE1 4.1Å; V132-F172 HydrophobicContact CG1-CE1 3.58Å; V132-F172 HydrophobicContact CG1-CZ 4.18Å
133Q92.4Very high90.9Very high38 Ų3843.7 Ų43.718%0.17821%0.21CC..Hα-helixtrans-56.8-43.4174.6-78.5170.1-19.100112.3H129 R130 P131 L135 R137 F171 F172H129-Q133 WeakPolarHBondContact O-CB 3.39Å; H129-Q133 WeakPolarHBondContact O-CG 3.5Å; H129-Q133 PolarHBondContact O-N 3Å; R130-Q133 PolarHBondContact O-N 2.76Å; P131-Q133 PolarHBondContact O-N 3.18Å; Q133-L135 VanDerWaalsContact C-N 3.34Å; Q133-R137 WeakPolarHBondContact O-CG 3.4Å; Q133-R137 PolarHBondContact O-N 2.8Å; Q133-F171 PolarHBondContact NE2-O 2.98Å; Q133-F172 HydrophobicContact CG-CD1 3.86Å; Q133-F172 HydrophobicContact CG-CE1 3.77Å
134K92.3Very high90.6Very high60 Ų6046.7 Ų46.726%0.26124%0.236SC..Hα-helixtrans-67.3-37178.7-71.6172.5175.8170.50111.7E89 Y92 R130 P131 V132 R137E89-K134 IonicContact OE1-NZ 3Å; E89-K134 PolarHBondContact OE1-NZ 2.91Å; E89-K134 IonicContact OE2-NZ 2.71Å; E89-K134 PolarHBondContact OE2-NZ 3.5Å; Y92-K134 HydrophobicContact CD1-CB 4.24Å; Y92-K134 HydrophobicContact CD1-CD 3.93Å; Y92-K134 HydrophobicContact CD2-CB 3.79Å; Y92-K134 HydrophobicContact CE1-CB 3.93Å; Y92-K134 HydrophobicContact CE1-CD 3.71Å; Y92-K134 HydrophobicContact CE1-CG 4.33Å; Y92-K134 VanDerWaalsContact CE2-C 3.48Å; Y92-K134 HydrophobicContact CE2-CB 3.44Å; Y92-K134 VanDerWaalsContact CE2-CB 3.44Å; Y92-K134 WeakPolarHBondContact CE2-O 3.45Å; Y92-K134 HydrophobicContact CG-CB 4.18Å; R130-K134 WeakPolarHBondContact O-CG 3.3Å; R130-K134 PolarHBondContact O-N 2.6Å; P131-K134 PolarHBondContact O-N 3.23Å; V132-K134 VanDerWaalsContact C-N 3.3Å; V132-K134 PolarHBondContact O-N 2.83Å; K134-R137 WeakPolarHBondContact O-CB 3.29Å; K134-R137 PolarHBondContact O-N 3.04Å
135L94.4Very high90.4Very high1 Ų145 Ų451%0.00523%0.226CC..Hα-helixtrans-69.5-40.2178.2-168.858.2000111.7Y92 V107 L108 Y111 P131 V132 Q133 R137 L138 C139 F154Y92-L135 HydrophobicContact CD2-CB 4.34Å; Y92-L135 HydrophobicContact CD2-CD1 4.42Å; V107-L135 HydrophobicContact CG1-CD1 4.39Å; V107-L135 HydrophobicContact CG1-CD2 4.37Å; L108-L135 HydrophobicContact CD2-CD1 3.93Å; L108-L135 HydrophobicContact CD2-CD2 3.93Å; L108-L135 HydrophobicContact CD2-CG 3.79Å; L108-L135 HydrophobicContact CG-CD1 4.42Å; Y111-L135 HydrophobicContact CD1-CD2 3.9Å; Y111-L135 HydrophobicContact CD2-CD2 3.8Å; Y111-L135 HydrophobicContact CE1-CD2 4.26Å; Y111-L135 HydrophobicContact CE2-CD2 4.17Å; Y111-L135 HydrophobicContact CG-CD2 3.61Å; P131-L135 WeakPolarHBondContact O-CB 3.43Å; P131-L135 PolarHBondContact O-N 3.04Å; V132-L135 PolarHBondContact O-N 2.72Å; V132-L135 VanDerWaalsContact O-N 3.17Å; Q133-L135 VanDerWaalsContact C-N 3.34Å; L135-R137 PolarHBondContact O-N 3.36Å; L135-L138 HydrophobicContact CD1-CD1 4.18Å; L135-L138 WeakPolarHBondContact O-CB 3.33Å; L135-L138 PolarHBondContact O-N 3.12Å; L135-C139 PolarHBondContact O-SG 3.18Å; L135-F154 HydrophobicContact CB-CE1 4.05Å; L135-F154 HydrophobicContact CB-CZ 4.01Å; L135-F154 HydrophobicContact CD2-CD2 4.46Å; L135-F154 HydrophobicContact CD2-CE1 4.02Å; L135-F154 HydrophobicContact CD2-CE2 3.98Å; L135-F154 HydrophobicContact CD2-CZ 3.72Å; L135-F154 HydrophobicContact CG-CD1 4.44Å; L135-F154 HydrophobicContact CG-CE1 3.84Å; L135-F154 HydrophobicContact CG-CZ 3.97Å
136I94.3Very high90.2Very high3 Ų347.5 Ų47.52%0.01525%0.249CC..Hα-helixtrans-52.9-38.9173.1-72.1165.6000111.4V132 L138 C139 F154 L155 V158 F172 L236 S239V132-I136 HydrophobicContact CG1-CD1 4.05Å; V132-I136 VanDerWaalsContact O-CG1 3.28Å; V132-I136 WeakPolarHBondContact O-CG1 3.18Å; V132-I136 PolarHBondContact O-N 3.41Å; I136-L138 PolarHBondContact O-N 2.99Å; I136-C139 WeakPolarHBondContact O-CB 3.45Å; I136-C139 PolarHBondContact O-N 2.92Å; I136-C139 VanDerWaalsContact O-N 3.12Å; I136-F154 HydrophobicContact CG1-CE1 3.76Å; I136-F154 HydrophobicContact CG1-CZ 4.22Å; I136-L155 HydrophobicContact CB-CD2 4.22Å; I136-L155 HydrophobicContact CG1-CD2 3.86Å; I136-L155 HydrophobicContact CG2-CD2 4.05Å; I136-V158 HydrophobicContact CD1-CG1 4.08Å; I136-F172 HydrophobicContact CD1-CD1 3.65Å; I136-F172 HydrophobicContact CD1-CE1 4.08Å; I136-L236 HydrophobicContact CD1-CB 4.49Å; I136-L236 HydrophobicContact CD1-CD1 4.26Å; I136-L236 HydrophobicContact CG1-CD1 4.44Å; I136-L236 HydrophobicContact CG2-CB 4.24Å; I136-L236 HydrophobicContact CG2-CD1 4.3Å; I136-S239 PolarHBondContact O-OG 2.82Å
137R90.2Very high90.3Very high111 Ų11144.4 Ų44.442%0.41923%0.234SC..THydrogen-bonded Turntrans-67.2-22.8179.9-64.5178.4-175.1143.45.5113.6Q133 K134 L135 C139 E141 Y234Q133-R137 WeakPolarHBondContact O-CG 3.4Å; Q133-R137 PolarHBondContact O-N 2.8Å; K134-R137 WeakPolarHBondContact O-CB 3.29Å; K134-R137 PolarHBondContact O-N 3.04Å; L135-R137 PolarHBondContact O-N 3.36Å; R137-C139 VanDerWaalsContact C-N 3.3Å; R137-E141 WeakPolarHBondContact O-CG 3.42Å; R137-E141 VanDerWaalsContact O-OE1 3.13Å; R137-Y234 WeakPolarHBondContact CG-O 3.45Å; R137-Y234 PolarHBondContact NE-O 2.92Å
138L90.1Very high90.4Very high13 Ų1342.7 Ų42.77%0.06822%0.224CC..THydrogen-bonded Turntrans-83.4-8.4176.1-58-179.1000112.7Y92 K96 K104 L135 I136Y92-L138 HydrophobicContact CD2-CD1 4.18Å; Y92-L138 HydrophobicContact CE2-CD1 3.58Å; Y92-L138 HydrophobicContact CE2-CG 4.1Å; K96-L138 HydrophobicContact CB-CD1 3.91Å; K96-L138 HydrophobicContact CG-CD1 4.22Å; K96-L138 HydrophobicContact CG-CD2 4.2Å; K104-L138 PolarHBondContact NZ-O 2.92Å; L135-L138 HydrophobicContact CD1-CD1 4.18Å; L135-L138 WeakPolarHBondContact O-CB 3.33Å; L135-L138 PolarHBondContact O-N 3.12Å; I136-L138 PolarHBondContact O-N 2.99Å
139C92.4Very high90.4Very high0 Ų046.4 Ų46.40%024%0.244CC..THydrogen-bonded Turntrans-87.6136.2-179.3-58.10000110.9L135 I136 R137 E141 E151 L155 S239L135-C139 PolarHBondContact O-SG 3.18Å; I136-C139 WeakPolarHBondContact O-CB 3.45Å; I136-C139 PolarHBondContact O-N 2.92Å; I136-C139 VanDerWaalsContact O-N 3.12Å; R137-C139 VanDerWaalsContact C-N 3.3Å; C139-E141 VanDerWaalsContact C-N 3.27Å; C139-E141 PolarHBondContact O-N 2.98Å; C139-E151 VanDerWaalsContact CA-OE2 3.27Å; C139-E151 WeakPolarHBondContact CA-OE2 3.47Å; C139-E151 HydrophobicContact CB-CB 4.09Å; C139-E151 HydrophobicContact CB-CG 4.17Å; C139-L155 HydrophobicContact CB-CD1 3.86Å; C139-L155 HydrophobicContact CB-CD2 4.05Å; C139-L155 HydrophobicContact CB-CG 4.12Å; C139-S239 WeakPolarHBondContact O-CB 3.29Å
140G86.2Confident90.7Very high3 Ų346.8 Ų46.83%0.03125%0.246CC..THydrogen-bonded Turntrans70.417.3178.800000114.6E151 N242G140-E151 PolarHBondContact N-OE2 2.91Å; G140-N242 VanDerWaalsContact O-CB 3.29Å; G140-N242 WeakPolarHBondContact O-CB 3.3Å; G140-N242 PolarHBondContact O-ND2 3.06Å; G140-N242 VanDerWaalsContact O-ND2 3.16Å
141E85.3Confident90.9Very high106 Ų10640.5 Ų40.550%0.49522%0.222SC..SBendtrans-73.4-38.5172.9-70.2-172.9157.200111.7R137 C139R137-E141 WeakPolarHBondContact O-CG 3.42Å; R137-E141 VanDerWaalsContact O-OE1 3.13Å; C139-E141 VanDerWaalsContact C-N 3.27Å; C139-E141 PolarHBondContact O-N 2.98Å
142V85.2Confident91Very high95 Ų9540.7 Ų40.758%0.57622%0.223SC*.SBendtrans-123.1112-179.7-178.20000108.6A145V142-A145 HydrophobicContact CB-CB 4.28Å; V142-A145 HydrophobicContact CG1-CB 4.28Å; V142-A145 WeakPolarHBondContact O-CB 3.36Å
143L83.9Confident91Very high77 Ų7745.4 Ų45.440%0.40325%0.245SC..THydrogen-bonded Turntrans-70.9147.6176-59.4178.6000110.6A145 E148 N242 K245L143-A145 PolarHBondContact O-N 3.11Å; L143-E148 WeakPolarHBondContact CA-OE1 3.48Å; L143-N242 WeakPolarHBondContact CD2-O 3.49Å; L143-K245 HydrophobicContact CD1-CB 4.03Å
144A85.2Confident91.3Very high68 Ų6843.6 Ų43.656%0.56224%0.237SC*.THydrogen-bonded Turntrans58.922.9-174.300000114.3E148 P247A144-E148 VanDerWaalsContact CA-OE2 3.31Å; A144-E148 WeakPolarHBondContact CA-OE2 3.47Å; A144-E148 PolarHBondContact N-OE1 3.15Å; A144-E148 PolarHBondContact N-OE2 3.28Å; A144-P247 HydrophobicContact CB-CG 3.87Å
145A86.2Confident91.5Very high18 Ų1840.8 Ų40.815%0.14922%0.224CC..  trans-65148.5170.900000110.7V142 L143 T147 E148V142-A145 HydrophobicContact CB-CB 4.28Å; V142-A145 HydrophobicContact CG1-CB 4.28Å; V142-A145 WeakPolarHBondContact O-CB 3.36Å; L143-A145 PolarHBondContact O-N 3.11Å; A145-T147 PolarHBondContact O-N 2.67Å; A145-E148 HydrophobicContact CB-CG 4.35Å; A145-E148 WeakPolarHBondContact O-CG 3.42Å; A145-E148 PolarHBondContact O-N 2.92Å; A145-E148 VanDerWaalsContact O-N 3.1Å
146P87.1Confident91.6Very high125 Ų12542 Ų4281%0.81223%0.233SC*.THydrogen-bonded Turntrans-61-16.1176.526.3-34.8000113.1
147T93Very high91.7Very high12 Ų1244 Ų447%0.07424%0.243CC..THydrogen-bonded Turntrans-93-0.8179.753.40000114.7K104 Q105 A145 N149 E150 E151K104-T147 HydrophobicContact CB-CG2 4.49Å; K104-T147 HydrophobicContact CD-CG2 4.28Å; Q105-T147 HydrophobicContact CB-CG2 4.1Å; A145-T147 PolarHBondContact O-N 2.67Å; T147-N149 PolarHBondContact O-N 2.91Å; T147-N149 VanDerWaalsContact O-N 3.1Å; T147-E150 WeakPolarHBondContact CA-OE2 3.19Å; T147-E150 PolarHBondContact O-N 3.49Å; T147-E150 VanDerWaalsContact O-N 3.15Å; T147-E151 WeakPolarHBondContact O-CB 3.2Å; T147-E151 VanDerWaalsContact O-CG 3.28Å; T147-E151 WeakPolarHBondContact O-CG 3.35Å; T147-E151 PolarHBondContact O-N 3.04Å; T147-E151 PolarHBondContact OG1-OE1 2.94Å
148E93.4Very high91.9Very high10 Ų1038.7 Ų38.75%0.04722%0.223CC..Hα-helixtrans-57.2-31.1-175-77.3-170.113800112.7L143 A144 A145 I152 L243 S246 I251L143-E148 WeakPolarHBondContact CA-OE1 3.48Å; A144-E148 VanDerWaalsContact CA-OE2 3.31Å; A144-E148 WeakPolarHBondContact CA-OE2 3.47Å; A144-E148 PolarHBondContact N-OE1 3.15Å; A144-E148 PolarHBondContact N-OE2 3.28Å; A145-E148 HydrophobicContact CB-CG 4.35Å; A145-E148 WeakPolarHBondContact O-CG 3.42Å; A145-E148 PolarHBondContact O-N 2.92Å; A145-E148 VanDerWaalsContact O-N 3.1Å; E148-I152 WeakPolarHBondContact O-CG2 3.44Å; E148-I152 PolarHBondContact O-N 3.44Å; E148-L243 HydrophobicContact CG-CD2 4.28Å; E148-S246 PolarHBondContact OE1-OG 3.44Å; E148-S246 PolarHBondContact OE2-OG 3.02Å; E148-I251 HydrophobicContact CB-CD1 3.39Å; E148-I251 HydrophobicContact CB-CG1 4.45Å; E148-I251 HydrophobicContact CG-CD1 4.36Å
149N94.6Very high92.2Very high81 Ų8138.1 Ų38.143%0.43322%0.22SC..Hα-helixtrans-68.4-47.8178.7-159.8-39.3000111.6T147 E151 I152 Q153T147-N149 PolarHBondContact O-N 2.91Å; T147-N149 VanDerWaalsContact O-N 3.1Å; N149-E151 VanDerWaalsContact C-N 3.34Å; N149-I152 VanDerWaalsContact O-CG2 3.28Å; N149-I152 WeakPolarHBondContact O-CG2 3.17Å; N149-I152 PolarHBondContact O-N 3.47Å; N149-Q153 WeakPolarHBondContact O-CB 3.24Å; N149-Q153 VanDerWaalsContact O-CG 3.25Å; N149-Q153 WeakPolarHBondContact O-CG 3.44Å; N149-Q153 PolarHBondContact O-N 3.46Å; N149-Q153 PolarHBondContact OD1-NE2 2.88Å
150E96.2Very high92.2Very high29 Ų2939.7 Ų39.714%0.13623%0.233CC..Hα-helixtrans-68.4-35.9176.7-66.376.1-17000111.7Q105 L108 T147 F154Q105-E150 VanDerWaalsContact CG-CD 3.45Å; Q105-E150 HydrophobicContact CG-CG 3.65Å; Q105-E150 PolarHBondContact NE2-OE1 3.45Å; L108-E150 HydrophobicContact CB-CB 3.89Å; L108-E150 HydrophobicContact CD1-CB 4.13Å; T147-E150 WeakPolarHBondContact CA-OE2 3.19Å; T147-E150 PolarHBondContact O-N 3.49Å; T147-E150 VanDerWaalsContact O-N 3.15Å; E150-F154 VanDerWaalsContact O-CB 3.27Å; E150-F154 WeakPolarHBondContact O-CB 3.04Å; E150-F154 PolarHBondContact O-N 3.01Å
151E96.3Very high92.5Very high0 Ų041.2 Ų41.20%024%0.239CC..Hα-helixtrans-60.2-50.8174.2-72175.2-156.500110.9K104 L108 C139 G140 T147 N149 Q153 F154 L155K104-E151 WeakPolarHBondContact CE-OE1 3.41Å; K104-E151 IonicContact NZ-OE1 3.87Å; K104-E151 PolarHBondContact NZ-OE1 2.99Å; L108-E151 HydrophobicContact CD1-CB 4.48Å; L108-E151 HydrophobicContact CD1-CG 3.55Å; C139-E151 VanDerWaalsContact CA-OE2 3.27Å; C139-E151 WeakPolarHBondContact CA-OE2 3.47Å; C139-E151 HydrophobicContact CB-CB 4.09Å; C139-E151 HydrophobicContact CB-CG 4.17Å; G140-E151 PolarHBondContact N-OE2 2.91Å; T147-E151 WeakPolarHBondContact O-CB 3.2Å; T147-E151 VanDerWaalsContact O-CG 3.28Å; T147-E151 WeakPolarHBondContact O-CG 3.35Å; T147-E151 PolarHBondContact O-N 3.04Å; T147-E151 PolarHBondContact OG1-OE1 2.94Å; N149-E151 VanDerWaalsContact C-N 3.34Å; E151-Q153 PolarHBondContact O-N 3.44Å; E151-F154 PolarHBondContact O-N 3.33Å; E151-L155 VanDerWaalsContact O-CG 3.32Å; E151-L155 WeakPolarHBondContact O-CG 3.45Å; E151-L155 PolarHBondContact O-N 3.22Å
152I96.6Very high92.8Very high5 Ų536.1 Ų36.13%0.02622%0.215CC..Hα-helixtrans-68.3-37.9-177.9-168.355000112.3E148 N149 F154 L155 C156 L240 L243 I251 K254 A255E148-I152 WeakPolarHBondContact O-CG2 3.44Å; E148-I152 PolarHBondContact O-N 3.44Å; N149-I152 VanDerWaalsContact O-CG2 3.28Å; N149-I152 WeakPolarHBondContact O-CG2 3.17Å; N149-I152 PolarHBondContact O-N 3.47Å; I152-F154 VanDerWaalsContact C-N 3.34Å; I152-F154 PolarHBondContact O-N 3.42Å; I152-L155 PolarHBondContact O-N 3.44Å; I152-C156 WeakPolarHBondContact O-CB 3.45Å; I152-C156 PolarHBondContact O-N 3.49Å; I152-C156 PolarHBondContact O-SG 3.12Å; I152-L240 HydrophobicContact CD1-CD2 3.81Å; I152-L243 HydrophobicContact CB-CD1 4.12Å; I152-L243 HydrophobicContact CD1-CD1 3.87Å; I152-I251 HydrophobicContact CB-CG2 4.4Å; I152-I251 HydrophobicContact CG2-CG1 4.3Å; I152-K254 HydrophobicContact CD1-CB 4.23Å; I152-K254 HydrophobicContact CG1-CB 3.43Å; I152-K254 VanDerWaalsContact CG1-CB 3.43Å; I152-K254 HydrophobicContact CG2-CB 4.45Å; I152-A255 HydrophobicContact CD1-CB 3.88Å
153Q96.8Very high93Very high99 Ų9936.4 Ų36.446%0.46321%0.208SC..Hα-helixtrans-59.9-45.7174.2-73.5179.72300111.4T112 N149 E151 C156 I157T112-Q153 HydrophobicContact CG2-CB 4.29Å; N149-Q153 WeakPolarHBondContact O-CB 3.24Å; N149-Q153 VanDerWaalsContact O-CG 3.25Å; N149-Q153 WeakPolarHBondContact O-CG 3.44Å; N149-Q153 PolarHBondContact O-N 3.46Å; N149-Q153 PolarHBondContact OD1-NE2 2.88Å; E151-Q153 PolarHBondContact O-N 3.44Å; Q153-C156 PolarHBondContact O-N 3.39Å; Q153-I157 WeakPolarHBondContact O-CG1 3.29Å; Q153-I157 PolarHBondContact O-N 2.97Å
154F97.8Very high93.3Very high0 Ų038.6 Ų38.60%022%0.217CC..Hα-helixtrans-59.1-51.1176.5170.4-111.9000111.7L108 Y111 T112 L115 V132 L135 I136 E150 E151 I152 C156 I157 V158L108-F154 HydrophobicContact CD2-CB 3.97Å; L108-F154 HydrophobicContact CD2-CD1 3.79Å; L108-F154 HydrophobicContact CD2-CE1 4.48Å; L108-F154 HydrophobicContact CD2-CG 3.91Å; Y111-F154 HydrophobicContact CD1-CE2 4.25Å; Y111-F154 HydrophobicContact CG-CE2 4.42Å; T112-F154 VanDerWaalsContact OG1-CA 3.27Å; T112-F154 WeakPolarHBondContact OG1-CA 3.04Å; T112-F154 VanDerWaalsContact OG1-CB 3.31Å; T112-F154 WeakPolarHBondContact OG1-CB 3.32Å; L115-F154 HydrophobicContact CD1-CE2 4.1Å; V132-F154 HydrophobicContact CG1-CE2 4.38Å; V132-F154 HydrophobicContact CG1-CZ 3.87Å; L135-F154 HydrophobicContact CB-CE1 4.05Å; L135-F154 HydrophobicContact CB-CZ 4.01Å; L135-F154 HydrophobicContact CD2-CD2 4.46Å; L135-F154 HydrophobicContact CD2-CE1 4.02Å; L135-F154 HydrophobicContact CD2-CE2 3.98Å; L135-F154 HydrophobicContact CD2-CZ 3.72Å; L135-F154 HydrophobicContact CG-CD1 4.44Å; L135-F154 HydrophobicContact CG-CE1 3.84Å; L135-F154 HydrophobicContact CG-CZ 3.97Å; I136-F154 HydrophobicContact CG1-CE1 3.76Å; I136-F154 HydrophobicContact CG1-CZ 4.22Å; E150-F154 VanDerWaalsContact O-CB 3.27Å; E150-F154 WeakPolarHBondContact O-CB 3.04Å; E150-F154 PolarHBondContact O-N 3.01Å; E151-F154 PolarHBondContact O-N 3.33Å; I152-F154 VanDerWaalsContact C-N 3.34Å; I152-F154 PolarHBondContact O-N 3.42Å; F154-C156 VanDerWaalsContact C-N 3.33Å; F154-C156 PolarHBondContact O-N 2.9Å; F154-I157 PolarHBondContact O-N 2.94Å; F154-V158 HydrophobicContact CD2-CG2 4.4Å; F154-V158 HydrophobicContact CE1-CG2 4.4Å; F154-V158 HydrophobicContact CE2-CG2 3.94Å; F154-V158 HydrophobicContact CZ-CG2 3.94Å; F154-V158 WeakPolarHBondContact O-CG2 3.36Å; F154-V158 PolarHBondContact O-N 3.15Å
155L96.9Very high93.5Very high0 Ų037.3 Ų37.30%020%0.2CC..Hα-helixtrans-61.5-40.6179.9-63.3-179000111.8I136 C139 E151 I152 I157 V158 C159 L236 L240 L243I136-L155 HydrophobicContact CB-CD2 4.22Å; I136-L155 HydrophobicContact CG1-CD2 3.86Å; I136-L155 HydrophobicContact CG2-CD2 4.05Å; C139-L155 HydrophobicContact CB-CD1 3.86Å; C139-L155 HydrophobicContact CB-CD2 4.05Å; C139-L155 HydrophobicContact CB-CG 4.12Å; E151-L155 VanDerWaalsContact O-CG 3.32Å; E151-L155 WeakPolarHBondContact O-CG 3.45Å; E151-L155 PolarHBondContact O-N 3.22Å; I152-L155 PolarHBondContact O-N 3.44Å; L155-I157 PolarHBondContact O-N 3.38Å; L155-V158 PolarHBondContact O-N 2.93Å; L155-C159 PolarHBondContact O-N 3.41Å; L155-C159 PolarHBondContact O-SG 2.93Å; L155-C159 VanDerWaalsContact O-SG 3.39Å; L155-L236 HydrophobicContact CB-CD1 4.25Å; L155-L236 HydrophobicContact CD2-CD1 3.74Å; L155-L236 HydrophobicContact CG-CD1 4.48Å; L155-L240 HydrophobicContact CB-CD2 3.94Å; L155-L240 HydrophobicContact CD1-CD2 3.98Å; L155-L240 HydrophobicContact CD1-CG 4.2Å; L155-L243 HydrophobicContact CD1-CD1 3.65Å
156C96.4Very high93.5Very high26 Ų2637.8 Ų37.818%0.17620%0.202CC..Hα-helixtrans-62-40.5176-75.30000112.6I152 Q153 F154 V158 C159 A160I152-C156 WeakPolarHBondContact O-CB 3.45Å; I152-C156 PolarHBondContact O-N 3.49Å; I152-C156 PolarHBondContact O-SG 3.12Å; Q153-C156 PolarHBondContact O-N 3.39Å; F154-C156 VanDerWaalsContact C-N 3.33Å; F154-C156 PolarHBondContact O-N 2.9Å; C156-V158 VanDerWaalsContact C-N 3.34Å; C156-C159 PolarHBondContact O-N 3.01Å; C156-A160 WeakPolarHBondContact O-CB 3.34Å; C156-A160 PolarHBondContact O-N 3.43Å
157I96.2Very high93.3Very high46 Ų4637.8 Ų37.824%0.23619%0.186CC..Hα-helixtrans-63.8-40.7174.2-71.1-58.3000111.1T112 L115 A116 Q153 F154 L155 A160 K161T112-I157 HydrophobicContact CG2-CB 4.45Å; T112-I157 HydrophobicContact CG2-CG1 3.7Å; L115-I157 HydrophobicContact CB-CG2 3.59Å; L115-I157 HydrophobicContact CD1-CG2 4.44Å; A116-I157 HydrophobicContact CB-CD1 4.08Å; Q153-I157 WeakPolarHBondContact O-CG1 3.29Å; Q153-I157 PolarHBondContact O-N 2.97Å; F154-I157 PolarHBondContact O-N 2.94Å; L155-I157 PolarHBondContact O-N 3.38Å; I157-A160 PolarHBondContact O-N 3.09Å; I157-K161 WeakPolarHBondContact O-CG 3.47Å; I157-K161 PolarHBondContact O-N 3.2Å
158V95.3Very high93Very high0 Ų037.3 Ų37.30%018%0.183CC..Hα-helixtrans-61.4-47.2174.4177.50000110.6L115 V132 I136 F154 L155 C156 A160 K161 L162 F172 L236L115-V158 HydrophobicContact CD1-CG2 4.18Å; V132-V158 HydrophobicContact CG1-CG2 3.86Å; I136-V158 HydrophobicContact CD1-CG1 4.08Å; F154-V158 HydrophobicContact CD2-CG2 4.4Å; F154-V158 HydrophobicContact CE1-CG2 4.4Å; F154-V158 HydrophobicContact CE2-CG2 3.94Å; F154-V158 HydrophobicContact CZ-CG2 3.94Å; F154-V158 WeakPolarHBondContact O-CG2 3.36Å; F154-V158 PolarHBondContact O-N 3.15Å; L155-V158 PolarHBondContact O-N 2.93Å; C156-V158 VanDerWaalsContact C-N 3.34Å; V158-A160 VanDerWaalsContact C-N 3.32Å; V158-A160 PolarHBondContact O-N 2.85Å; V158-K161 PolarHBondContact O-N 3.1Å; V158-L162 HydrophobicContact CG1-CD1 4.22Å; V158-L162 HydrophobicContact CG1-CG 4.38Å; V158-L162 WeakPolarHBondContact O-CG 3.33Å; V158-L162 PolarHBondContact O-N 3.45Å; V158-F172 HydrophobicContact CG1-CD1 4.41Å; V158-L236 HydrophobicContact CG1-CD1 4.43Å; V158-L236 HydrophobicContact CG1-CD2 3.94Å
159C94.6Very high92.6Very high0 Ų036.9 Ų36.90%018%0.181CC..Hα-helixtrans-57.3-44.2175.6-68.50000112.2L155 C156 K161 L162 K163 L261 L262L155-C159 PolarHBondContact O-N 3.41Å; L155-C159 PolarHBondContact O-SG 2.93Å; L155-C159 VanDerWaalsContact O-SG 3.39Å; C156-C159 PolarHBondContact O-N 3.01Å; C159-K161 VanDerWaalsContact C-N 3.33Å; C159-K161 PolarHBondContact O-N 3.41Å; C159-L162 PolarHBondContact O-N 2.9Å; C159-K163 PolarHBondContact O-N 3.28Å; C159-L261 HydrophobicContact CB-CB 4.15Å; C159-L261 HydrophobicContact CB-CD1 3.99Å; C159-L262 HydrophobicContact CB-CD2 4.35Å
160A94.1Very high91.9Very high33 Ų3336 Ų3627%0.27318%0.177SC..Hα-helixtrans-61.6-40.9178.100000111.9C156 I157 V158 K163 Q164C156-A160 WeakPolarHBondContact O-CB 3.34Å; C156-A160 PolarHBondContact O-N 3.43Å; I157-A160 PolarHBondContact O-N 3.09Å; V158-A160 VanDerWaalsContact C-N 3.32Å; V158-A160 PolarHBondContact O-N 2.85Å; A160-K163 PolarHBondContact O-N 3.49Å; A160-Q164 WeakPolarHBondContact O-CG 3.5Å; A160-Q164 PolarHBondContact O-N 3.46Å; A160-Q164 VanDerWaalsContact O-N 3.08Å
161K92.2Very high91.2Very high35 Ų3539.5 Ų39.515%0.15219%0.192CC..Hα-helixtrans-68.6-37.6175.4-70.7-60.1-172.4177.20113L115 L123 I157 V158 C159 K163 Q164 D165L115-K161 WeakPolarHBondContact O-CE 3.32Å; L115-K161 PolarHBondContact O-NZ 2.83Å; L123-K161 HydrophobicContact CD1-CB 3.53Å; L123-K161 HydrophobicContact CD1-CG 4.34Å; I157-K161 WeakPolarHBondContact O-CG 3.47Å; I157-K161 PolarHBondContact O-N 3.2Å; V158-K161 PolarHBondContact O-N 3.1Å; C159-K161 VanDerWaalsContact C-N 3.33Å; C159-K161 PolarHBondContact O-N 3.41Å; K161-K163 VanDerWaalsContact C-N 3.29Å; K161-K163 PolarHBondContact O-N 3.05Å; K161-Q164 WeakPolarHBondContact O-CB 3.28Å; K161-Q164 PolarHBondContact O-N 3.43Å; K161-D165 PolarHBondContact O-N 2.98Å
162L91Very high90.6Very high0 Ų039.8 Ų39.80%019%0.193CC..Hα-helixtrans-64.7-35173.3-67178.3000112.3V158 C159 Q164 D165 P166 L168 V169 F172 L236 L262V158-L162 HydrophobicContact CG1-CD1 4.22Å; V158-L162 HydrophobicContact CG1-CG 4.38Å; V158-L162 WeakPolarHBondContact O-CG 3.33Å; V158-L162 PolarHBondContact O-N 3.45Å; C159-L162 PolarHBondContact O-N 2.9Å; L162-Q164 VanDerWaalsContact C-N 3.33Å; L162-D165 CarbonylContact O-C 3.31Å; L162-D165 VanDerWaalsContact O-C 3.22Å; L162-D165 PolarHBondContact O-N 3.2Å; L162-P166 WeakPolarHBondContact O-CA 3.45Å; L162-L168 HydrophobicContact CD2-CB 3.76Å; L162-V169 HydrophobicContact CB-CG2 4.44Å; L162-F172 HydrophobicContact CD1-CB 3.91Å; L162-F172 HydrophobicContact CD1-CG 4.32Å; L162-F172 HydrophobicContact CD2-CB 4.42Å; L162-F172 HydrophobicContact CD2-CD2 3.58Å; L162-F172 HydrophobicContact CD2-CE2 4.16Å; L162-F172 HydrophobicContact CD2-CG 4.21Å; L162-L236 HydrophobicContact CD1-CD2 3.47Å; L162-L236 VanDerWaalsContact CD1-CD2 3.47Å; L162-L262 HydrophobicContact CD1-CD2 4.14Å
163K89.9Confident89.6Confident101 Ų10139.7 Ų39.744%0.43919%0.192SC..Hα-helixtrans-68.7-31.9173.2-171.6169-177.2162.20112.8C159 A160 K161 L261 L265C159-K163 PolarHBondContact O-N 3.28Å; A160-K163 PolarHBondContact O-N 3.49Å; K161-K163 VanDerWaalsContact C-N 3.29Å; K161-K163 PolarHBondContact O-N 3.05Å; K163-L261 HydrophobicContact CD-CD2 3.69Å; K163-L265 HydrophobicContact CB-CD2 4.19Å
164Q90.5Very high88.2Confident123 Ų12340 Ų4058%0.57519%0.194SC*.Hα-helixtrans-72.9-38.9174-71.4170.317.900112.1A160 K161 L162 P166A160-Q164 WeakPolarHBondContact O-CG 3.5Å; A160-Q164 PolarHBondContact O-N 3.46Å; A160-Q164 VanDerWaalsContact O-N 3.08Å; K161-Q164 WeakPolarHBondContact O-CB 3.28Å; K161-Q164 PolarHBondContact O-N 3.43Å; L162-Q164 VanDerWaalsContact C-N 3.33Å; Q164-P166 WeakPolarHBondContact O-CD 3.47Å
165D88.3Confident86.3Confident41 Ų4141.7 Ų41.722%0.21920%0.203CC..SBendtrans-125.274.5-176.2-71.8-55.5000111.7K161 L162 Y167 L168K161-D165 PolarHBondContact O-N 2.98Å; L162-D165 CarbonylContact O-C 3.31Å; L162-D165 VanDerWaalsContact O-C 3.22Å; L162-D165 PolarHBondContact O-N 3.2Å; D165-Y167 VanDerWaalsContact C-N 3.27Å; D165-Y167 HydrophobicContact CB-CD1 4.29Å; D165-Y167 HydrophobicContact CB-CE1 3.58Å; D165-Y167 PolarHBondContact O-N 3.48Å; D165-Y167 VanDerWaalsContact O-N 3.17Å; D165-Y167 WeakPolarHBondContact OD1-CE1 3.49Å; D165-Y167 PolarHBondContact OD1-OH 2.99Å; D165-L168 HydrophobicContact CB-CD1 3.64Å; D165-L168 HydrophobicContact CB-CG 4.1Å; D165-L168 WeakPolarHBondContact O-CB 3.5Å; D165-L168 PolarHBondContact O-N 3.29Å
166P85.6Confident84.1Confident27 Ų2751.2 Ų51.218%0.17524%0.244CC..G310 helixtrans-72.5-15.9-165.6-21.736.5000115.2L162 Q164 L168 V169 P266 E267L162-P166 WeakPolarHBondContact O-CA 3.45Å; Q164-P166 WeakPolarHBondContact O-CD 3.47Å; P166-L168 PolarHBondContact O-N 3.49Å; P166-L168 VanDerWaalsContact O-N 3.13Å; P166-V169 VanDerWaalsContact O-CB 3.3Å; P166-V169 WeakPolarHBondContact O-CB 3.38Å; P166-V169 WeakPolarHBondContact O-CG2 3.33Å; P166-V169 PolarHBondContact O-N 3.24Å; P166-P266 HydrophobicContact CB-CG 4.48Å; P166-P266 HydrophobicContact CG-CG 4.49Å; P166-E267 HydrophobicContact CB-CG 4.31Å; P166-E267 WeakPolarHBondContact CB-OE1 3.49Å; P166-E267 WeakPolarHBondContact CB-OE2 3.31Å
167Y84.3Confident81.6Confident125 Ų12554.1 Ų54.149%0.4927%0.265SS..G310 helixtrans-62.8-17.6170.963.7-87.1000113.2P124 D165 V169P124-Y167 HydrophobicContact CG-CE2 4.34Å; P124-Y167 WeakPolarHBondContact CG-OH 3.23Å; D165-Y167 VanDerWaalsContact C-N 3.27Å; D165-Y167 HydrophobicContact CB-CD1 4.29Å; D165-Y167 HydrophobicContact CB-CE1 3.58Å; D165-Y167 PolarHBondContact O-N 3.48Å; D165-Y167 VanDerWaalsContact O-N 3.17Å; D165-Y167 WeakPolarHBondContact OD1-CE1 3.49Å; D165-Y167 PolarHBondContact OD1-OH 2.99Å; Y167-V169 VanDerWaalsContact C-N 3.31Å
168L86.2Confident78.7Confident2 Ų260.1 Ų60.11%0.0129%0.289CS..G310 helixtrans-80.5-11.9179.7-65.2177.3000113.9L123 P124 L162 D165 P166 N170 F171L123-L168 HydrophobicContact CB-CD1 3.55Å; L123-L168 HydrophobicContact CD1-CD1 4.11Å; L123-L168 HydrophobicContact CG-CD1 4.49Å; P124-L168 HydrophobicContact CB-CD2 4.42Å; P124-L168 HydrophobicContact CG-CD1 4.32Å; P124-L168 HydrophobicContact CG-CD2 4.09Å; L162-L168 HydrophobicContact CD2-CB 3.76Å; D165-L168 HydrophobicContact CB-CD1 3.64Å; D165-L168 HydrophobicContact CB-CG 4.1Å; D165-L168 WeakPolarHBondContact O-CB 3.5Å; D165-L168 PolarHBondContact O-N 3.29Å; P166-L168 PolarHBondContact O-N 3.49Å; P166-L168 VanDerWaalsContact O-N 3.13Å; L168-N170 VanDerWaalsContact C-N 3.25Å; L168-N170 PolarHBondContact O-N 3.49Å; L168-F171 HydrophobicContact CD2-CD2 4.06Å; L168-F171 HydrophobicContact CD2-CE2 4.17Å; L168-F171 WeakPolarHBondContact O-CB 3.22Å; L168-F171 WeakPolarHBondContact O-CD2 3.46Å; L168-F171 PolarHBondContact O-N 3.41Å
169V84.3Confident75.4Confident1 Ų171.3 Ų71.31%0.00633%0.331CS..Hα-helixtrans-55-39.9-172170.70000112.7L162 P166 Y167 F171 F172 L173 L265 A270L162-V169 HydrophobicContact CB-CG2 4.44Å; P166-V169 VanDerWaalsContact O-CB 3.3Å; P166-V169 WeakPolarHBondContact O-CB 3.38Å; P166-V169 WeakPolarHBondContact O-CG2 3.33Å; P166-V169 PolarHBondContact O-N 3.24Å; Y167-V169 VanDerWaalsContact C-N 3.31Å; V169-F171 PolarHBondContact O-N 3.11Å; V169-F172 PolarHBondContact O-N 3.26Å; V169-L173 HydrophobicContact CG1-CB 4.23Å; V169-L173 HydrophobicContact CG1-CD1 3.27Å; V169-L173 HydrophobicContact CG1-CG 3.67Å; V169-L173 WeakPolarHBondContact O-CB 3.28Å; V169-L173 PolarHBondContact O-N 2.85Å; V169-L265 HydrophobicContact CG1-CD1 4.23Å; V169-L265 HydrophobicContact CG2-CD1 3.54Å; V169-L265 HydrophobicContact CG2-CD2 4.33Å; V169-L265 HydrophobicContact CG2-CG 4.44Å; V169-A270 HydrophobicContact CG1-CB 3.64Å
170N80.8Confident72.5Confident62 Ų6276.5 Ų76.533%0.33237%0.365SS..Hα-helixtrans-60.1-31.2179.9-67.8-28.4000112.6L168 E174L168-N170 VanDerWaalsContact C-N 3.25Å; L168-N170 PolarHBondContact O-N 3.49Å; N170-E174 HydrophobicContact CB-CG 4.09Å; N170-E174 WeakPolarHBondContact O-CB 3.46Å; N170-E174 WeakPolarHBondContact O-CG 3.5Å; N170-E174 PolarHBondContact O-N 2.92Å
171F80.7Confident69.4Low103 Ų10383 Ų8345%0.45239%0.39SS..Hα-helixtrans-69.1-36.1176.8-59.3-74.8000111.4Q133 L168 V169Q133-F171 PolarHBondContact NE2-O 2.98Å; L168-F171 HydrophobicContact CD2-CD2 4.06Å; L168-F171 HydrophobicContact CD2-CE2 4.17Å; L168-F171 WeakPolarHBondContact O-CB 3.22Å; L168-F171 WeakPolarHBondContact O-CD2 3.46Å; L168-F171 PolarHBondContact O-N 3.41Å; V169-F171 PolarHBondContact O-N 3.11Å
172F83.3Confident66.6Low7 Ų787.2 Ų87.23%0.03142%0.418CS..Hα-helixtrans-99.1-18.1-171.5-66.9-85000114.1L123 H129 V132 Q133 I136 V158 L162 V169L123-F172 HydrophobicContact CD2-CZ 4.02Å; H129-F172 HydrophobicContact CB-CE1 4.49Å; H129-F172 HydrophobicContact CB-CE2 4.21Å; H129-F172 HydrophobicContact CB-CZ 3.66Å; V132-F172 HydrophobicContact CB-CE1 4.1Å; V132-F172 HydrophobicContact CG1-CE1 3.58Å; V132-F172 HydrophobicContact CG1-CZ 4.18Å; Q133-F172 HydrophobicContact CG-CD1 3.86Å; Q133-F172 HydrophobicContact CG-CE1 3.77Å; I136-F172 HydrophobicContact CD1-CD1 3.65Å; I136-F172 HydrophobicContact CD1-CE1 4.08Å; V158-F172 HydrophobicContact CG1-CD1 4.41Å; L162-F172 HydrophobicContact CD1-CB 3.91Å; L162-F172 HydrophobicContact CD1-CG 4.32Å; L162-F172 HydrophobicContact CD2-CB 4.42Å; L162-F172 HydrophobicContact CD2-CD2 3.58Å; L162-F172 HydrophobicContact CD2-CE2 4.16Å; L162-F172 HydrophobicContact CD2-CG 4.21Å; V169-F172 PolarHBondContact O-N 3.26Å
173L77.1Confident63.9Low2 Ų295.7 Ų95.71%0.0146%0.455CS..Hα-helixtrans-104.6-34.5178.9-60.2-166.6000113.6V169 N175 L236 V237 A270 C273V169-L173 HydrophobicContact CG1-CB 4.23Å; V169-L173 HydrophobicContact CG1-CD1 3.27Å; V169-L173 HydrophobicContact CG1-CG 3.67Å; V169-L173 WeakPolarHBondContact O-CB 3.28Å; V169-L173 PolarHBondContact O-N 2.85Å; L173-N175 PolarHBondContact O-N 2.92Å; L173-L236 HydrophobicContact CD2-CB 4.32Å; L173-V237 HydrophobicContact CD2-CG2 3.64Å; L173-A270 HydrophobicContact CD1-CB 4.19Å; L173-C273 VanDerWaalsContact C-SG 3.51Å; L173-C273 HydrophobicContact CB-CB 4.22Å; L173-C273 PolarHBondContact O-SG 3.41Å
174E66.7Low60.9Low105 Ų10595.7 Ų95.749%0.49147%0.468SS..  trans-69.1121-172.5-71.8-179.1165.200113.1N170 K176N170-E174 HydrophobicContact CB-CG 4.09Å; N170-E174 WeakPolarHBondContact O-CB 3.46Å; N170-E174 WeakPolarHBondContact O-CG 3.5Å; N170-E174 PolarHBondContact O-N 2.92Å; E174-K176 PolarHBondContact O-N 3.11Å
175N57.1Low58.3Low36 Ų3696 Ų9619%0.19348%0.48CS..  trans-76.2105.1163.2-72.4-13.5000108.7L173 S177 N235 N277L173-N175 PolarHBondContact O-N 2.92Å; N175-S177 PolarHBondContact O-N 2.97Å; N175-N235 PolarHBondContact OD1-ND2 3.01Å; N175-N277 PolarHBondContact ND2-O 3.14Å
176K52.3Low55.6Low201 Ų20198.5 Ų98.587%0.87451%0.507SS*.THydrogen-bonded Turntrans-61.55.4176.9-69-173.2176-179.50115.3E174E174-K176 PolarHBondContact O-N 3.11Å
177S43.9Very low53Low86 Ų86102.1 Ų102.160%0.60154%0.539SS*.THydrogen-bonded Turntrans-95.5-5.6-171.3-152.90000115.1N175N175-S177 PolarHBondContact O-N 2.97Å
178K33.7Very low50.4Low172 Ų172100.9 Ų100.975%0.74855%0.554SS**  trans-127.269.6176.8-72.8-175.8-179.1175.20112.3P180K178-P180 WeakPolarHBondContact O-CD 3.13Å
179R26.7Very low47.7Very low236 Ų236110.3 Ų110.389%0.89160%0.598SS**  trans-98.2104.9151.8-127.2-177.5-170.1-178.83.5106.8E181R179-E181 PolarHBondContact O-N 3.45Å; R179-E181 VanDerWaalsContact O-N 3.14Å
180P33.9Very low44.8Very low108 Ų108114.3 Ų114.370%0.70164%0.64SS**  trans-67.7112.216427-27.2000106.2K178 V182K178-P180 WeakPolarHBondContact O-CD 3.13Å; P180-V182 PolarHBondContact O-N 3.44Å
181E29.8Very low42.2Very low169 Ų169115.1 Ų115.179%0.7966%0.663SS**  trans-58.9103.3166.5-73.3-171.3159.200107.8R179 K183R179-E181 PolarHBondContact O-N 3.45Å; R179-E181 VanDerWaalsContact O-N 3.14Å; E181-K183 VanDerWaalsContact C-N 3.29Å; E181-K183 PolarHBondContact O-N 2.93Å
182V33.6Very low39.7Very low124 Ų124119.6 Ų119.675%0.75268%0.683SS**  trans-71.591.8168.5-179.30000106.7P180 S184P180-V182 PolarHBondContact O-N 3.44Å; V182-S184 PolarHBondContact O-N 3.21Å
183K33.4Very low37Very low179 Ų179126.9 Ų126.978%0.77872%0.722SS**  trans-72.6104.4158.4-84.4179.7177.4171.80107.7E181E181-K183 VanDerWaalsContact C-N 3.29Å; E181-K183 PolarHBondContact O-N 2.93Å
184S27.5Very low34.6Very low101 Ų101131.7 Ų131.771%0.70676%0.756SS**  trans-61.8135.1164.8-60.50000110.1V182V182-S184 PolarHBondContact O-N 3.21Å
185P35.5Very low32.8Very low128 Ų128132.2 Ų132.283%0.83177%0.766SS**  trans-89.712017032.6-25.8000109
186A31Very low31.4Very low95 Ų95138.3 Ų138.379%0.78580%0.798SS**  trans-133.1110.8168.700000110.5
187A30.6Very low30.3Very low103 Ų103132.8 Ų132.885%0.85179%0.789SS**  trans38.1123.8148.200000120.6
188A31.4Very low30.1Very low98 Ų98134 Ų13481%0.8180%0.795SS**  trans-63.2139.9158.700000112.1
189E27.9Very low29.7Very low200 Ų200132.1 Ų132.194%0.93579%0.793SS**  trans-160.1147140.1-110.6-179.6-162.300109.6
190G24.8Very low29.7Very low85 Ų85126.6 Ų126.688%0.87679%0.786SS**  trans-96-177.8-157.500000116.4
191G24.7Very low29.5Very low80 Ų80124.5 Ų124.583%0.82578%0.784SS**  trans150.6108.6169.400000113.9
192K28.8Very low29.5Very low197 Ų197125.3 Ų125.386%0.85779%0.788SS**  trans-61.6143.9168.6-68.1169.1168.5175.70111.1
193D26.4Very low29.1Very low159 Ų159124.8 Ų124.885%0.8579%0.789SS**  178.2153.299.4-100.3-29.6000113.7
194S26.9Very low28.8Very low104 Ų104125.4 Ų125.473%0.72780%0.795SS**  trans-56.9159.9-178.8-175.90000115.1
195V28.4Very low28.8Very low116 Ų116124.8 Ų124.870%0.70380%0.796SS**  157.1119.6120.6161.50000112.6
196L27.9Very low28.2Very low164 Ų164126.5 Ų126.586%0.85980%0.798SS**  trans81.7102.7148.6-63.9165.9000122.2
197A30Very low28Very low85 Ų85130.6 Ų130.670%0.70280%0.801SS**  trans-67.7172.8131.800000109.6
198P39.9Very low28.6Very low112 Ų112131.5 Ų131.573%0.72780%0.798SS**  cis-138.6-178.94635.1-10.6000111.7
199D24.6Very low28.3Very low132 Ų132130.6 Ų130.671%0.70680%0.798SS**  cis-171.2139.248.7-137.4-1.4000111.4
200T27.7Very low28.2Very low120 Ų120129.6 Ų129.674%0.73679%0.793SS**  trans27.6143.3138560000121.8
201G28.4Very low28.7Very low63 Ų63131.5 Ų131.565%0.64979%0.791SS**  cis-162.6147.818.800000111.4
202Q29.9Very low28.8Very low187 Ų187136.1 Ų136.187%0.87479%0.791SS**  63.5127.789.8-87-178.1-8.900113
203S25.6Very low28.7Very low113 Ų113131.6 Ų131.679%0.7979%0.79SS**  cis-159.4156.434.2-72.10000114.6
204Q26.8Very low28.7Very low192 Ų192128.6 Ų128.690%0.89779%0.787SS**  trans-82.1177.1159.8-76.1176.5-37.600112.7
205A27.1Very low28.6Very low88 Ų88128.1 Ų128.173%0.72779%0.79SS**  trans113.4133.4161.500000112.3
206D24.3Very low28.4Very low163 Ų163127.5 Ų127.587%0.87280%0.797SS**  cis-163.4155.132.4-109.5-33.3000111.7
207H26.9Very low28.2Very low181 Ų181124.4 Ų124.484%0.83880%0.795SS**  trans-81.2-172.6163.1-96.8-64000110.6
208P41.3Very low28Very low122 Ų122125.3 Ų125.379%0.79280%0.802SS**  cis-133.6-178.6-23.228.3-5.4000113.4
209G25.9Very low27.4Very low79 Ų79124.9 Ų124.981%0.81481%0.808SS**  trans160.1101.2158.200000117.3
210E26.2Very low27.4Very low179 Ų179122.7 Ų122.784%0.83681%0.808SS**  trans-78.5160159.9-80.3-172.315100111.2
211P35.6Very low27.5Very low126 Ų126123.1 Ų123.182%0.81881%0.811SS**  -145.8159.289.332.9-12000117.7
212Q26.4Very low27.4Very low177 Ų177125.9 Ų125.983%0.82782%0.82SS**  trans-39.8167.6175.9-77.8158.4-37.400122.9
213A26.5Very low27.2Very low102 Ų102122 Ų12284%0.84381%0.814SS**  trans107133.514700000115.8
214A26.4Very low27.4Very low96 Ų96122.6 Ų122.679%0.79382%0.815SS**  cis-165.1153.86.200000112.4
215A25.3Very low27.3Very low94 Ų94118 Ų11878%0.77781%0.809SS**  trans63.5120.9138.100000124.7
216A24Very low27.4Very low103 Ų103118 Ų11885%0.85181%0.81SS**  60.5136.512600000119.1
217A24.2Very low27.4Very low99 Ų99117.5 Ų117.582%0.81881%0.807SS**  cis-166.91528.500000107.9
218A26.1Very low27.6Very low103 Ų103116.4 Ų116.485%0.85181%0.808SS**  trans179.5127.1137.600000110.2
219A25.4Very low27Very low103 Ų103117.4 Ų117.485%0.85181%0.806SS**  trans-71.7140.6175.500000111.7
220A25.7Very low27.2Very low86 Ų86119.4 Ų119.471%0.71180%0.798SS**  trans-177.6132.3135.800000111.5
221T28.8Very low27.7Very low129 Ų129117.3 Ų117.379%0.79180%0.798SS**  trans64.310115143.30000119.5S223T221-S223 PolarHBondContact O-N 3.48Å
222S26.9Very low28.1Very low122 Ų122114.7 Ų114.785%0.85378%0.777SS**  trans-54.2109.4152.850.10000111.8
223S25.6Very low29.4Very low106 Ų106110.4 Ų110.474%0.74176%0.759SS**  trans-90.8131.6156.4-57.60000108.2T221 A225T221-S223 PolarHBondContact O-N 3.48Å; S223-A225 PolarHBondContact O-N 3.18Å
224P29.8Very low30.9Very low124 Ų124108.5 Ų108.581%0.80573%0.731SS**  trans-68.8122.3172.228.5-28.8000107.6A226P224-A226 PolarHBondContact O-N 3.39Å
225A25.5Very low33.5Very low95 Ų95104.3 Ų104.379%0.78570%0.695SS**  trans-52.4113169.600000108.4S223 N227S223-A225 PolarHBondContact O-N 3.18Å; A225-N227 PolarHBondContact O-N 3.34Å
226A28Very low36.6Very low89 Ų8999.9 Ų99.974%0.73666%0.659SS**  trans-57.3112.1168.100000107.3P224 N228P224-A226 PolarHBondContact O-N 3.39Å; A226-N228 VanDerWaalsContact C-N 3.29Å; A226-N228 PolarHBondContact O-N 3.2Å
227N24.7Very low39.7Very low152 Ų15295 Ų9581%0.81362%0.618SS**  trans-56.594.9169.7-111.8-5.1000107.8A225 N229A225-N227 PolarHBondContact O-N 3.34Å; N227-N229 PolarHBondContact O-N 2.69Å
228N31Very low42.8Very low159 Ų15991.7 Ų91.785%0.8559%0.588SS**  trans-82.646.8-177.6-138.913.8000110.9A226A226-N228 VanDerWaalsContact C-N 3.29Å; A226-N228 PolarHBondContact O-N 3.2Å
229N28.8Very low45.9Very low143 Ų14386.8 Ų86.877%0.76555%0.547SS*.  trans-120.930.2-179-89.34.4000112.4N227N227-N229 PolarHBondContact O-N 2.69Å
230N30.5Very low49.2Very low121 Ų12181.9 Ų81.965%0.64751%0.507SS*.  trans-113.987167.1-96.18000108.4N232N230-N232 WeakPolarHBondContact CB-OD1 3.32Å; N230-N232 VanDerWaalsContact CG-OD1 3.28Å; N230-N232 PolarHBondContact ND2-OD1 3.33Å; N230-N232 PolarHBondContact O-N 3.48Å
231T37Very low52.3Low134 Ų13478.1 Ų78.182%0.82248%0.475SS*.  trans-62.570.6152.19.60000107.4N233T231-N233 PolarHBondContact O-N 3.08Å
232N43.3Very low55.3Low71 Ų7173.4 Ų73.438%0.3845%0.445SS..  trans-69.9119.1-175.8-87-17.1000108N230 Y234N230-N232 WeakPolarHBondContact CB-OD1 3.32Å; N230-N232 VanDerWaalsContact CG-OD1 3.28Å; N230-N232 PolarHBondContact ND2-OD1 3.33Å; N230-N232 PolarHBondContact O-N 3.48Å; N232-Y234 HydrophobicContact CB-CD2 3.31Å; N232-Y234 HydrophobicContact CB-CE2 3.25Å; N232-Y234 HydrophobicContact CB-CG 4.33Å; N232-Y234 WeakPolarHBondContact ND2-CE2 3.3Å; N232-Y234 PolarHBondContact O-N 2.97Å
233N53.5Low58.4Low87 Ų8767.6 Ų67.647%0.46540%0.404SS..  trans-72.355.4176.6-61.1-59.8000110.4T231 N235T231-N233 PolarHBondContact O-N 3.08Å; N233-N235 PolarHBondContact O-N 3.47Å
234Y59.1Low61.5Low62 Ų6262.9 Ų62.924%0.24337%0.371CS..  trans-77.7109.7175.6-74.3-68.1000109.2R137 N232 T238R137-Y234 WeakPolarHBondContact CG-O 3.45Å; R137-Y234 PolarHBondContact NE-O 2.92Å; N232-Y234 HydrophobicContact CB-CD2 3.31Å; N232-Y234 HydrophobicContact CB-CE2 3.25Å; N232-Y234 HydrophobicContact CB-CG 4.33Å; N232-Y234 WeakPolarHBondContact ND2-CE2 3.3Å; N232-Y234 PolarHBondContact O-N 2.97Å; Y234-T238 HydrophobicContact CD1-CG2 3.46Å; Y234-T238 VanDerWaalsContact CD1-CG2 3.46Å; Y234-T238 HydrophobicContact CE1-CG2 3.69Å
235N80.4Confident64.4Low9 Ų962 Ų625%0.04835%0.354CS..  trans-114.4175.7168.362.743.5000109.3N175 N233 V237 T238 S239N175-N235 PolarHBondContact OD1-ND2 3.01Å; N233-N235 PolarHBondContact O-N 3.47Å; N235-V237 PolarHBondContact O-N 3.26Å; N235-V237 VanDerWaalsContact O-N 3.15Å; N235-V237 WeakPolarHBondContact OD1-CB 3.4Å; N235-V237 PolarHBondContact OD1-N 3.49Å; N235-V237 VanDerWaalsContact OD1-N 3.11Å; N235-T238 PolarHBondContact O-N 3.41Å; N235-T238 VanDerWaalsContact O-N 3.09Å; N235-T238 PolarHBondContact OD1-N 2.93Å; N235-T238 VanDerWaalsContact OD1-N 3.14Å; N235-T238 PolarHBondContact OD1-OG1 3.06Å; N235-S239 PolarHBondContact O-N 3.28Å; N235-S239 PolarHBondContact O-OG 3.37Å
236L90.6Very high67.5Low1 Ų157.8 Ų57.81%0.00532%0.319CS..Hα-helixtrans-52.6-37.6-177.1178.258.3000113.2I136 L155 V158 L162 L173 L240 L262I136-L236 HydrophobicContact CD1-CB 4.49Å; I136-L236 HydrophobicContact CD1-CD1 4.26Å; I136-L236 HydrophobicContact CG1-CD1 4.44Å; I136-L236 HydrophobicContact CG2-CB 4.24Å; I136-L236 HydrophobicContact CG2-CD1 4.3Å; L155-L236 HydrophobicContact CB-CD1 4.25Å; L155-L236 HydrophobicContact CD2-CD1 3.74Å; L155-L236 HydrophobicContact CG-CD1 4.48Å; V158-L236 HydrophobicContact CG1-CD1 4.43Å; V158-L236 HydrophobicContact CG1-CD2 3.94Å; L162-L236 HydrophobicContact CD1-CD2 3.47Å; L162-L236 VanDerWaalsContact CD1-CD2 3.47Å; L173-L236 HydrophobicContact CD2-CB 4.32Å; L236-L240 HydrophobicContact CD1-CD1 4.33Å; L236-L240 HydrophobicContact CG-CD1 4.3Å; L236-L240 WeakPolarHBondContact O-CG 3.32Å; L236-L240 PolarHBondContact O-N 3.21Å; L236-L240 VanDerWaalsContact O-N 3.14Å; L236-L262 HydrophobicContact CD2-CD1 4.05Å; L236-L262 HydrophobicContact CD2-CD2 3.89Å; L236-L262 HydrophobicContact CG-CD1 4.02Å
237V89.9Confident70.4Confident1 Ų158.6 Ų58.61%0.00632%0.317CS..Hα-helixtrans-69.7-43.5-179.1178.70000110.3L173 N235 S239 L240 L241 L259 L262 L274 T278L173-V237 HydrophobicContact CD2-CG2 3.64Å; N235-V237 PolarHBondContact O-N 3.26Å; N235-V237 VanDerWaalsContact O-N 3.15Å; N235-V237 WeakPolarHBondContact OD1-CB 3.4Å; N235-V237 PolarHBondContact OD1-N 3.49Å; N235-V237 VanDerWaalsContact OD1-N 3.11Å; V237-S239 VanDerWaalsContact C-N 3.34Å; V237-S239 PolarHBondContact O-N 3.13Å; V237-L240 PolarHBondContact O-N 3.43Å; V237-L241 HydrophobicContact CG1-CD1 3.66Å; V237-L241 HydrophobicContact CG1-CG 4.17Å; V237-L241 WeakPolarHBondContact O-CB 3.43Å; V237-L241 WeakPolarHBondContact O-CG 3.15Å; V237-L241 PolarHBondContact O-N 2.82Å; V237-L259 HydrophobicContact CG1-CD2 4.01Å; V237-L262 HydrophobicContact CG2-CD1 3.75Å; V237-L274 HydrophobicContact CB-CD2 4.47Å; V237-L274 HydrophobicContact CG1-CD2 4.15Å; V237-L274 HydrophobicContact CG2-CD2 3.48Å; V237-L274 VanDerWaalsContact CG2-CD2 3.48Å; V237-T278 HydrophobicContact CB-CG2 3.88Å; V237-T278 HydrophobicContact CG1-CG2 3.79Å; V237-T278 HydrophobicContact CG2-CG2 4.28Å
238T88.7Confident73.4Confident29 Ų2954.4 Ų54.418%0.17830%0.295CS..Hα-helixtrans-60.3-42.8176.7-45.90000112.1Y234 N235 L241 N242Y234-T238 HydrophobicContact CD1-CG2 3.46Å; Y234-T238 VanDerWaalsContact CD1-CG2 3.46Å; Y234-T238 HydrophobicContact CE1-CG2 3.69Å; N235-T238 PolarHBondContact O-N 3.41Å; N235-T238 VanDerWaalsContact O-N 3.09Å; N235-T238 PolarHBondContact OD1-N 2.93Å; N235-T238 VanDerWaalsContact OD1-N 3.14Å; N235-T238 PolarHBondContact OD1-OG1 3.06Å; T238-L241 PolarHBondContact O-N 2.9Å; T238-N242 PolarHBondContact O-N 3.45Å
239S91.7Very high76.1Confident0 Ų049.1 Ų49.10%028%0.278CS..Hα-helixtrans-64-43.5178.6-54.10000111.8I136 C139 N235 V237 N242 L243I136-S239 PolarHBondContact O-OG 2.82Å; C139-S239 WeakPolarHBondContact O-CB 3.29Å; N235-S239 PolarHBondContact O-N 3.28Å; N235-S239 PolarHBondContact O-OG 3.37Å; V237-S239 VanDerWaalsContact C-N 3.34Å; V237-S239 PolarHBondContact O-N 3.13Å; S239-N242 PolarHBondContact O-N 2.95Å; S239-L243 WeakPolarHBondContact O-CG 3.42Å; S239-L243 PolarHBondContact O-N 3.36Å
240L94Very high79.1Confident0 Ų052.1 Ų52.10%028%0.278CS..Hα-helixtrans-63.1-45.3174.1-72.3167.4000111.7I152 L155 L236 V237 N242 L243 T244 A255 L259 L262I152-L240 HydrophobicContact CD1-CD2 3.81Å; L155-L240 HydrophobicContact CB-CD2 3.94Å; L155-L240 HydrophobicContact CD1-CD2 3.98Å; L155-L240 HydrophobicContact CD1-CG 4.2Å; L236-L240 HydrophobicContact CD1-CD1 4.33Å; L236-L240 HydrophobicContact CG-CD1 4.3Å; L236-L240 WeakPolarHBondContact O-CG 3.32Å; L236-L240 PolarHBondContact O-N 3.21Å; L236-L240 VanDerWaalsContact O-N 3.14Å; V237-L240 PolarHBondContact O-N 3.43Å; L240-N242 VanDerWaalsContact C-N 3.29Å; L240-N242 PolarHBondContact O-N 3.41Å; L240-L243 PolarHBondContact O-N 2.86Å; L240-L243 VanDerWaalsContact O-N 3.09Å; L240-T244 WeakPolarHBondContact O-CG2 3.43Å; L240-T244 PolarHBondContact O-N 3.49Å; L240-A255 HydrophobicContact CD2-CB 4.48Å; L240-L259 HydrophobicContact CB-CD2 3.82Å; L240-L259 HydrophobicContact CB-CG 3.98Å; L240-L259 HydrophobicContact CD1-CD2 4.02Å; L240-L259 HydrophobicContact CD1-CG 4.3Å; L240-L262 HydrophobicContact CD1-CD1 3.65Å
241L91.2Very high82Confident6 Ų646.8 Ų46.83%0.03125%0.25CC..Hα-helixtrans-58.5-39.8177.9-76.1167.8000112.2V237 T238 T244 L259 L280 L283V237-L241 HydrophobicContact CG1-CD1 3.66Å; V237-L241 HydrophobicContact CG1-CG 4.17Å; V237-L241 WeakPolarHBondContact O-CB 3.43Å; V237-L241 WeakPolarHBondContact O-CG 3.15Å; V237-L241 PolarHBondContact O-N 2.82Å; T238-L241 PolarHBondContact O-N 2.9Å; L241-T244 PolarHBondContact O-N 3.48Å; L241-T244 PolarHBondContact O-OG1 3.18Å; L241-L259 HydrophobicContact CD2-CD1 3.94Å; L241-L259 HydrophobicContact CG-CD1 4.47Å; L241-L259 HydrophobicContact CG-CD2 4.45Å; L241-L280 HydrophobicContact CD1-CB 4.38Å; L241-L280 HydrophobicContact CD2-CD1 3.76Å; L241-L283 HydrophobicContact CB-CD1 3.81Å; L241-L283 HydrophobicContact CD1-CD1 3.99Å; L241-L283 HydrophobicContact CD2-CB 4.36Å; L241-L283 HydrophobicContact CD2-CD1 3.92Å; L241-L283 HydrophobicContact CG-CD1 4.12Å
242N90.9Very high84.6Confident31 Ų3141.4 Ų41.417%0.16622%0.216CC..Hα-helixtrans-63.1-45.5173.8-74.4-13.8000111.7G140 L143 T238 S239 L240 T244 K245G140-N242 VanDerWaalsContact O-CB 3.29Å; G140-N242 WeakPolarHBondContact O-CB 3.3Å; G140-N242 PolarHBondContact O-ND2 3.06Å; G140-N242 VanDerWaalsContact O-ND2 3.16Å; L143-N242 WeakPolarHBondContact CD2-O 3.49Å; T238-N242 PolarHBondContact O-N 3.45Å; S239-N242 PolarHBondContact O-N 2.95Å; L240-N242 VanDerWaalsContact C-N 3.29Å; L240-N242 PolarHBondContact O-N 3.41Å; N242-T244 PolarHBondContact O-N 3.28Å; N242-K245 VanDerWaalsContact O-CB 3.31Å; N242-K245 WeakPolarHBondContact O-CB 3.21Å; N242-K245 PolarHBondContact O-N 3.22Å
243L92.2Very high87Confident0 Ų039.8 Ų39.80%021%0.209CC..Hα-helixtrans-65.7-22.6178.6-68.1175.4000113.3E148 I152 L155 S239 L240 K245 S246 I251 A255E148-L243 HydrophobicContact CG-CD2 4.28Å; I152-L243 HydrophobicContact CB-CD1 4.12Å; I152-L243 HydrophobicContact CD1-CD1 3.87Å; L155-L243 HydrophobicContact CD1-CD1 3.65Å; S239-L243 WeakPolarHBondContact O-CG 3.42Å; S239-L243 PolarHBondContact O-N 3.36Å; L240-L243 PolarHBondContact O-N 2.86Å; L240-L243 VanDerWaalsContact O-N 3.09Å; L243-K245 PolarHBondContact O-N 3.23Å; L243-K245 VanDerWaalsContact O-N 3.11Å; L243-S246 VanDerWaalsContact O-CB 3.28Å; L243-S246 WeakPolarHBondContact O-CB 3.37Å; L243-S246 PolarHBondContact O-N 3.07Å; L243-I251 HydrophobicContact CB-CG2 4.18Å; L243-I251 HydrophobicContact CD2-CG2 4.26Å; L243-A255 HydrophobicContact CB-CB 3.94Å
244T91.8Very high89Confident7 Ų740.1 Ų40.14%0.04321%0.206CC..THydrogen-bonded Turntrans-62-17.1170.373.70000113.2L240 L241 N242 V252 A255 L259 R287L240-T244 WeakPolarHBondContact O-CG2 3.43Å; L240-T244 PolarHBondContact O-N 3.49Å; L241-T244 PolarHBondContact O-N 3.48Å; L241-T244 PolarHBondContact O-OG1 3.18Å; N242-T244 PolarHBondContact O-N 3.28Å; T244-V252 WeakPolarHBondContact O-CG2 3.28Å; T244-A255 HydrophobicContact CG2-CB 3.87Å; T244-L259 HydrophobicContact CG2-CD1 3.93Å; T244-R287 PolarHBondContact O-NH1 3.07Å; T244-R287 PolarHBondContact O-NH2 2.85Å; T244-R287 VanDerWaalsContact O-NH2 3.14Å
245K90.3Very high90.7Very high104 Ų10437.1 Ų37.145%0.45220%0.195SC..THydrogen-bonded Turntrans-93.22.1177.3-55.7173-177.5169.50112.9L143 N242 L243L143-K245 HydrophobicContact CD1-CB 4.03Å; N242-K245 VanDerWaalsContact O-CB 3.31Å; N242-K245 WeakPolarHBondContact O-CB 3.21Å; N242-K245 PolarHBondContact O-N 3.22Å; L243-K245 PolarHBondContact O-N 3.23Å; L243-K245 VanDerWaalsContact O-N 3.11Å
246S91.1Very high91.4Very high8 Ų836.9 Ų36.96%0.05619%0.194CC..  trans-59.3145.2177.5175.80000111.2E148 L243 D248 V252E148-S246 PolarHBondContact OE1-OG 3.44Å; E148-S246 PolarHBondContact OE2-OG 3.02Å; L243-S246 VanDerWaalsContact O-CB 3.28Å; L243-S246 WeakPolarHBondContact O-CB 3.37Å; L243-S246 PolarHBondContact O-N 3.07Å; S246-D248 PolarHBondContact O-N 2.64Å; S246-D248 PolarHBondContact OG-N 3.29Å; S246-V252 VanDerWaalsContact O-CG2 3.25Å; S246-V252 WeakPolarHBondContact O-CG2 3.17Å
247P87.4Confident91.6Very high105 Ų10540.4 Ų40.468%0.68221%0.21SC*.SBendtrans-69.6-17.1171.729.8-35.7000113.2A144A144-P247 HydrophobicContact CB-CG 3.87Å
248D88.9Confident91.8Very high65 Ų6540.3 Ų40.335%0.34821%0.21SC..  trans-86111175.4-174.4-11.6000110.7S246 R250 I251 V252S246-D248 PolarHBondContact O-N 2.64Å; S246-D248 PolarHBondContact OG-N 3.29Å; D248-R250 PolarHBondContact O-N 3.35Å; D248-R250 VanDerWaalsContact O-N 3.14Å; D248-R250 WeakPolarHBondContact OD1-CB 3.27Å; D248-R250 PolarHBondContact OD1-N 3.44Å; D248-I251 HydrophobicContact CB-CB 4.27Å; D248-I251 HydrophobicContact CB-CD1 3.74Å; D248-I251 HydrophobicContact CB-CG1 4.16Å; D248-I251 PolarHBondContact O-N 3.25Å; D248-I251 VanDerWaalsContact O-N 3.08Å; D248-V252 WeakPolarHBondContact O-CG2 3.44Å; D248-V252 PolarHBondContact O-N 3.15Å; D248-V252 VanDerWaalsContact O-N 3.1Å
249G87.4Confident92.1Very high48 Ų4839 Ų3950%0.49520%0.202SC..Hα-helixtrans-56.1-29.217800000114.1V252 V253G249-V252 PolarHBondContact O-N 2.97Å; G249-V253 VanDerWaalsContact O-CG2 3.32Å; G249-V253 WeakPolarHBondContact O-CG2 3.44Å; G249-V253 PolarHBondContact O-N 2.95Å
250R90.3Very high92.2Very high205 Ų20540.7 Ų40.777%0.77421%0.21SC*.Hα-helixtrans-68.6-40.9177.4-64.3178.6178.4177.90.6111.7D248 V252 V253 K254D248-R250 PolarHBondContact O-N 3.35Å; D248-R250 VanDerWaalsContact O-N 3.14Å; D248-R250 WeakPolarHBondContact OD1-CB 3.27Å; D248-R250 PolarHBondContact OD1-N 3.44Å; R250-V252 VanDerWaalsContact C-N 3.35Å; R250-V253 PolarHBondContact O-N 3.45Å; R250-K254 WeakPolarHBondContact O-CG 3.39Å; R250-K254 PolarHBondContact O-N 3.41Å
251I92.6Very high92.2Very high10 Ų1043 Ų435%0.05122%0.222CC..Hα-helixtrans-65.9-42.7176.2-69.3163.6000109.6E148 I152 L243 D248 V253 K254 A255E148-I251 HydrophobicContact CB-CD1 3.39Å; E148-I251 HydrophobicContact CB-CG1 4.45Å; E148-I251 HydrophobicContact CG-CD1 4.36Å; I152-I251 HydrophobicContact CB-CG2 4.4Å; I152-I251 HydrophobicContact CG2-CG1 4.3Å; L243-I251 HydrophobicContact CB-CG2 4.18Å; L243-I251 HydrophobicContact CD2-CG2 4.26Å; D248-I251 HydrophobicContact CB-CB 4.27Å; D248-I251 HydrophobicContact CB-CD1 3.74Å; D248-I251 HydrophobicContact CB-CG1 4.16Å; D248-I251 PolarHBondContact O-N 3.25Å; D248-I251 VanDerWaalsContact O-N 3.08Å; I251-V253 PolarHBondContact O-N 2.72Å; I251-K254 PolarHBondContact O-N 3.34Å; I251-A255 WeakPolarHBondContact O-CB 3.22Å; I251-A255 PolarHBondContact O-N 2.85Å
252V92.3Very high92.2Very high20 Ų2042.8 Ų42.812%0.12122%0.221CC..Hα-helixtrans-57.9-48.6175.8177.30000111.3T244 S246 D248 G249 R250 K254 A255 C256T244-V252 WeakPolarHBondContact O-CG2 3.28Å; S246-V252 VanDerWaalsContact O-CG2 3.25Å; S246-V252 WeakPolarHBondContact O-CG2 3.17Å; D248-V252 WeakPolarHBondContact O-CG2 3.44Å; D248-V252 PolarHBondContact O-N 3.15Å; D248-V252 VanDerWaalsContact O-N 3.1Å; G249-V252 PolarHBondContact O-N 2.97Å; R250-V252 VanDerWaalsContact C-N 3.35Å; V252-K254 VanDerWaalsContact C-N 3.35Å; V252-K254 PolarHBondContact O-N 2.88Å; V252-A255 PolarHBondContact O-N 3.49Å; V252-C256 WeakPolarHBondContact O-CB 3.44Å; V252-C256 PolarHBondContact O-N 3.42Å; V252-C256 PolarHBondContact O-SG 3.39Å; V252-C256 VanDerWaalsContact O-SG 3.33Å
253V93.1Very high92.3Very high37 Ų3741.4 Ų41.422%0.22421%0.214CC..Hα-helixtrans-60.5-44.3178.3171.50000111.2G249 R250 I251 A255 C256 E257 W312G249-V253 VanDerWaalsContact O-CG2 3.32Å; G249-V253 WeakPolarHBondContact O-CG2 3.44Å; G249-V253 PolarHBondContact O-N 2.95Å; R250-V253 PolarHBondContact O-N 3.45Å; I251-V253 PolarHBondContact O-N 2.72Å; V253-A255 PolarHBondContact O-N 3.2Å; V253-C256 WeakPolarHBondContact O-CB 3.49Å; V253-C256 PolarHBondContact O-N 2.87Å; V253-E257 WeakPolarHBondContact O-CG 3.35Å; V253-E257 PolarHBondContact O-N 2.95Å; V253-W312 HydrophobicContact CG1-CZ3 4.19Å
254K94.4Very high92.4Very high94 Ų9442.8 Ų42.841%0.40922%0.223SC..Hα-helixtrans-65.1-38.1177.4-71.6-64.9173.7-160.20113.1I152 R250 I251 V252 C256 E257 G258I152-K254 HydrophobicContact CD1-CB 4.23Å; I152-K254 HydrophobicContact CG1-CB 3.43Å; I152-K254 VanDerWaalsContact CG1-CB 3.43Å; I152-K254 HydrophobicContact CG2-CB 4.45Å; R250-K254 WeakPolarHBondContact O-CG 3.39Å; R250-K254 PolarHBondContact O-N 3.41Å; I251-K254 PolarHBondContact O-N 3.34Å; V252-K254 VanDerWaalsContact C-N 3.35Å; V252-K254 PolarHBondContact O-N 2.88Å; K254-C256 VanDerWaalsContact C-N 3.33Å; K254-E257 VanDerWaalsContact CD-OE2 3.24Å; K254-E257 WeakPolarHBondContact CD-OE2 3.36Å; K254-E257 IonicContact NZ-OE1 3.52Å; K254-E257 IonicContact NZ-OE2 3.47Å; K254-E257 PolarHBondContact NZ-OE2 2.91Å; K254-E257 PolarHBondContact O-N 2.9Å; K254-G258 PolarHBondContact O-N 3.17Å
255A95.1Very high92.3Very high0 Ų042.6 Ų42.60%022%0.222CC..Hα-helixtrans-62.9-42.5173.200000111.4I152 L240 L243 T244 I251 V252 V253 G258 L259I152-A255 HydrophobicContact CD1-CB 3.88Å; L240-A255 HydrophobicContact CD2-CB 4.48Å; L243-A255 HydrophobicContact CB-CB 3.94Å; T244-A255 HydrophobicContact CG2-CB 3.87Å; I251-A255 WeakPolarHBondContact O-CB 3.22Å; I251-A255 PolarHBondContact O-N 2.85Å; V252-A255 PolarHBondContact O-N 3.49Å; V253-A255 PolarHBondContact O-N 3.2Å; A255-G258 PolarHBondContact O-N 2.89Å; A255-L259 WeakPolarHBondContact O-CG 3.15Å; A255-L259 PolarHBondContact O-N 3.19Å
256C94.9Very high92.1Very high4 Ų441.6 Ų41.63%0.02723%0.226CC..Hα-helixtrans-62.9-43.8175.4-76.20000112.9V252 V253 K254 G258 L259 M260 W312 Y341V252-C256 WeakPolarHBondContact O-CB 3.44Å; V252-C256 PolarHBondContact O-N 3.42Å; V252-C256 PolarHBondContact O-SG 3.39Å; V252-C256 VanDerWaalsContact O-SG 3.33Å; V253-C256 WeakPolarHBondContact O-CB 3.49Å; V253-C256 PolarHBondContact O-N 2.87Å; K254-C256 VanDerWaalsContact C-N 3.33Å; C256-G258 VanDerWaalsContact C-N 3.34Å; C256-L259 PolarHBondContact O-N 2.97Å; C256-M260 PolarHBondContact O-N 3.17Å; C256-W312 HydrophobicContact CB-CE3 4.37Å; C256-W312 HydrophobicContact CB-CH2 4.38Å; C256-W312 HydrophobicContact CB-CZ3 3.7Å; C256-Y341 WeakPolarHBondContact CA-OH 3.33Å; C256-Y341 HydrophobicContact CB-CD2 4.04Å; C256-Y341 HydrophobicContact CB-CE1 4.32Å; C256-Y341 HydrophobicContact CB-CE2 3.38Å; C256-Y341 PolarHBondContact O-OH 3.42Å; C256-Y341 VanDerWaalsContact SG-CZ 3.53Å
257E94.8Very high91.8Very high74 Ų7443.6 Ų43.635%0.34623%0.234SC..Hα-helixtrans-59.2-44.1171.7-73.2176.8179.400111.1V253 K254 L259 M260 L261 W312V253-E257 WeakPolarHBondContact O-CG 3.35Å; V253-E257 PolarHBondContact O-N 2.95Å; K254-E257 VanDerWaalsContact CD-OE2 3.24Å; K254-E257 WeakPolarHBondContact CD-OE2 3.36Å; K254-E257 IonicContact NZ-OE1 3.52Å; K254-E257 IonicContact NZ-OE2 3.47Å; K254-E257 PolarHBondContact NZ-OE2 2.91Å; K254-E257 PolarHBondContact O-N 2.9Å; E257-L259 PolarHBondContact O-N 3.41Å; E257-M260 WeakPolarHBondContact O-CB 3.43Å; E257-M260 PolarHBondContact O-N 2.86Å; E257-M260 VanDerWaalsContact O-N 3.17Å; E257-L261 WeakPolarHBondContact O-CG 3.33Å; E257-L261 PolarHBondContact O-N 3.47Å; E257-W312 HydrophobicContact CG-CH2 3.82Å; E257-W312 HydrophobicContact CG-CZ3 4.42Å
258G94.8Very high91.6Very high0 Ų042.4 Ų42.40%023%0.227CC..Hα-helixtrans-59-43.7176.400000112.8K254 A255 C256 L261 L262K254-G258 PolarHBondContact O-N 3.17Å; A255-G258 PolarHBondContact O-N 2.89Å; C256-G258 VanDerWaalsContact C-N 3.34Å; G258-L261 PolarHBondContact O-N 3.38Å; G258-L262 WeakPolarHBondContact O-CG 3.22Å; G258-L262 PolarHBondContact O-N 2.97Å
259L94.3Very high91.2Very high2 Ų241.2 Ų41.21%0.0123%0.226CC..Hα-helixtrans-64.9-38.5174.4-70.7171.6000112V237 L240 L241 T244 A255 C256 E257 L261 L262 V263 L280V237-L259 HydrophobicContact CG1-CD2 4.01Å; L240-L259 HydrophobicContact CB-CD2 3.82Å; L240-L259 HydrophobicContact CB-CG 3.98Å; L240-L259 HydrophobicContact CD1-CD2 4.02Å; L240-L259 HydrophobicContact CD1-CG 4.3Å; L241-L259 HydrophobicContact CD2-CD1 3.94Å; L241-L259 HydrophobicContact CG-CD1 4.47Å; L241-L259 HydrophobicContact CG-CD2 4.45Å; T244-L259 HydrophobicContact CG2-CD1 3.93Å; A255-L259 WeakPolarHBondContact O-CG 3.15Å; A255-L259 PolarHBondContact O-N 3.19Å; C256-L259 PolarHBondContact O-N 2.97Å; E257-L259 PolarHBondContact O-N 3.41Å; L259-L261 VanDerWaalsContact C-N 3.3Å; L259-L261 PolarHBondContact O-N 3.41Å; L259-L262 PolarHBondContact O-N 3.2Å; L259-V263 PolarHBondContact O-N 3.46Å; L259-L280 HydrophobicContact CD1-CD1 4.3Å; L259-L280 HydrophobicContact CD2-CD1 4.48Å
260M94.3Very high91Very high34 Ų3439 Ų3917%0.16720%0.203CC..Hα-helixtrans-62-37.8176.2-165.9171-69.700112.1C256 E257 L262 V263 S264 W312 Y341 Q344 L345 E348C256-M260 PolarHBondContact O-N 3.17Å; E257-M260 WeakPolarHBondContact O-CB 3.43Å; E257-M260 PolarHBondContact O-N 2.86Å; E257-M260 VanDerWaalsContact O-N 3.17Å; M260-L262 VanDerWaalsContact C-N 3.31Å; M260-L262 PolarHBondContact O-N 2.61Å; M260-V263 WeakPolarHBondContact O-CG2 3.46Å; M260-S264 WeakPolarHBondContact O-CB 3.47Å; M260-S264 PolarHBondContact O-N 3.3Å; M260-S264 PolarHBondContact O-OG 3.09Å; M260-W312 HydrophobicContact CE-CH2 4.06Å; M260-W312 HydrophobicContact CE-CZ2 3.34Å; M260-W312 HydrophobicContact SD-CZ2 4Å; M260-Y341 HydrophobicContact CE-CD2 4.28Å; M260-Y341 HydrophobicContact CE-CE2 4.04Å; M260-Q344 HydrophobicContact CE-CB 4Å; M260-L345 HydrophobicContact CB-CD1 4.24Å; M260-E348 HydrophobicContact CG-CB 4.19Å; M260-E348 HydrophobicContact CG-CG 4.27Å; M260-E348 HydrophobicContact SD-CG 4.23Å
261L93.6Very high90.8Very high49 Ų4929.4 Ų29.426%0.25717%0.167SC..Hα-helixtrans-63.9-35.4172.3-67.6175.2000112.6C159 K163 E257 G258 L259 S264C159-L261 HydrophobicContact CB-CB 4.15Å; C159-L261 HydrophobicContact CB-CD1 3.99Å; K163-L261 HydrophobicContact CD-CD2 3.69Å; E257-L261 WeakPolarHBondContact O-CG 3.33Å; E257-L261 PolarHBondContact O-N 3.47Å; G258-L261 PolarHBondContact O-N 3.38Å; L259-L261 VanDerWaalsContact C-N 3.3Å; L259-L261 PolarHBondContact O-N 3.41Å; L261-S264 PolarHBondContact O-OG 3.32Å; L261-S264 VanDerWaalsContact O-OG 3.1Å
262L92.3Very high90.4Very high1 Ų134.6 Ų34.61%0.00519%0.19CC..Hα-helixtrans-76.1-41.3-179.6-64.2178.7000112.8C159 L162 L236 V237 L240 G258 L259 M260 S264 L265 L274C159-L262 HydrophobicContact CB-CD2 4.35Å; L162-L262 HydrophobicContact CD1-CD2 4.14Å; L236-L262 HydrophobicContact CD2-CD1 4.05Å; L236-L262 HydrophobicContact CD2-CD2 3.89Å; L236-L262 HydrophobicContact CG-CD1 4.02Å; V237-L262 HydrophobicContact CG2-CD1 3.75Å; L240-L262 HydrophobicContact CD1-CD1 3.65Å; G258-L262 WeakPolarHBondContact O-CG 3.22Å; G258-L262 PolarHBondContact O-N 2.97Å; L259-L262 PolarHBondContact O-N 3.2Å; M260-L262 VanDerWaalsContact C-N 3.31Å; M260-L262 PolarHBondContact O-N 2.61Å; L262-S264 PolarHBondContact O-N 2.88Å; L262-L265 HydrophobicContact CD2-CD1 4.03Å; L262-L265 WeakPolarHBondContact O-CB 3.31Å; L262-L265 WeakPolarHBondContact O-CD1 3.16Å; L262-L265 VanDerWaalsContact O-CG 3.26Å; L262-L265 WeakPolarHBondContact O-CG 3.36Å; L262-L265 PolarHBondContact O-N 3.27Å; L262-L274 HydrophobicContact CB-CD2 4.44Å
263V92.8Very high89.9Confident3 Ų334 Ų342%0.01819%0.186CC..Hα-helixtrans-69.5-24.7178.5-58.70000112.7L259 M260 L265 L274 L280 L345 A349 Q350 M357L259-V263 PolarHBondContact O-N 3.46Å; M260-V263 WeakPolarHBondContact O-CG2 3.46Å; V263-L265 VanDerWaalsContact C-N 3.27Å; V263-L265 PolarHBondContact O-N 2.88Å; V263-L274 HydrophobicContact CB-CD1 4.45Å; V263-L274 HydrophobicContact CG1-CD1 4.09Å; V263-L280 HydrophobicContact CG1-CD2 4.1Å; V263-L345 HydrophobicContact CB-CD1 4.45Å; V263-L345 HydrophobicContact CG1-CD1 4.03Å; V263-L345 HydrophobicContact CG1-CG 4.37Å; V263-L345 HydrophobicContact CG2-CD1 3.56Å; V263-L345 HydrophobicContact CG2-CG 4.16Å; V263-A349 HydrophobicContact CB-CB 3.89Å; V263-A349 HydrophobicContact CG2-CB 4.1Å; V263-A349 WeakPolarHBondContact O-CA 3.43Å; V263-Q350 PolarHBondContact O-N 3.46Å; V263-Q350 VanDerWaalsContact O-N 3.09Å; V263-M357 HydrophobicContact CG1-CE 4.47Å
264S93Very high89.6Confident29 Ų2932.3 Ų32.320%0.20318%0.176CC..THydrogen-bonded Turntrans-83.53.5177.659.40000114.1M260 L261 L262 E348M260-S264 WeakPolarHBondContact O-CB 3.47Å; M260-S264 PolarHBondContact O-N 3.3Å; M260-S264 PolarHBondContact O-OG 3.09Å; L261-S264 PolarHBondContact O-OG 3.32Å; L261-S264 VanDerWaalsContact O-OG 3.1Å; L262-S264 PolarHBondContact O-N 2.88Å; S264-E348 WeakPolarHBondContact CA-O 3.36Å; S264-E348 WeakPolarHBondContact CB-O 3.21Å
265L90.8Very high89.1Confident2 Ų229.2 Ų29.21%0.0117%0.165CC..  trans-65.5136.1173.7-67.7168.8000110.5K163 V169 L262 V263 E267 A270K163-L265 HydrophobicContact CB-CD2 4.19Å; V169-L265 HydrophobicContact CG1-CD1 4.23Å; V169-L265 HydrophobicContact CG2-CD1 3.54Å; V169-L265 HydrophobicContact CG2-CD2 4.33Å; V169-L265 HydrophobicContact CG2-CG 4.44Å; L262-L265 HydrophobicContact CD2-CD1 4.03Å; L262-L265 WeakPolarHBondContact O-CB 3.31Å; L262-L265 WeakPolarHBondContact O-CD1 3.16Å; L262-L265 VanDerWaalsContact O-CG 3.26Å; L262-L265 WeakPolarHBondContact O-CG 3.36Å; L262-L265 PolarHBondContact O-N 3.27Å; V263-L265 VanDerWaalsContact C-N 3.27Å; V263-L265 PolarHBondContact O-N 2.88Å; L265-E267 PolarHBondContact O-N 3.38Å; L265-A270 HydrophobicContact CB-CB 4.09Å; L265-A270 HydrophobicContact CD1-CB 4.25Å
266P86.9Confident88.5Confident84 Ų8434.9 Ų34.955%0.54519%0.191SC..SBendtrans-71.9-15.1-177.125.9-31.3000114.1P166 P268 Q350P166-P266 HydrophobicContact CB-CG 4.48Å; P166-P266 HydrophobicContact CG-CG 4.49Å; P266-P268 WeakPolarHBondContact O-CD 3.35Å; P266-Q350 PolarHBondContact O-NE2 3.25Å; P266-Q350 VanDerWaalsContact O-NE2 3.11Å
267E83.9Confident87.7Confident49 Ų4937.3 Ų37.323%0.22920%0.204CC..  trans-73.9119.9-172.5-7458.4-135.400111.5P166 L265 A269 A270 A271 Q350P166-E267 HydrophobicContact CB-CG 4.31Å; P166-E267 WeakPolarHBondContact CB-OE1 3.49Å; P166-E267 WeakPolarHBondContact CB-OE2 3.31Å; L265-E267 PolarHBondContact O-N 3.38Å; E267-A269 PolarHBondContact O-N 3.16Å; E267-A269 VanDerWaalsContact O-N 3.1Å; E267-A270 HydrophobicContact CB-CB 4.04Å; E267-A270 WeakPolarHBondContact O-CA 2.84Å; E267-A270 WeakPolarHBondContact O-CB 3.42Å; E267-A270 PolarHBondContact O-N 3.08Å; E267-A271 PolarHBondContact O-N 3.39Å; E267-Q350 VanDerWaalsContact C-OE1 3.26Å; E267-Q350 PolarHBondContact O-OE1 2.91Å
268P82.8Confident87.2Confident80 Ų8034.7 Ų34.752%0.51919%0.193SC..Hα-helixtrans-61.4-26.7177.425.6-34.1000113.1P266 A270 A271 K272P266-P268 WeakPolarHBondContact O-CD 3.35Å; P268-A270 VanDerWaalsContact C-N 3.31Å; P268-A271 PolarHBondContact O-N 3.01Å; P268-K272 PolarHBondContact O-N 3.27Å
269A79.9Confident86.7Confident41 Ų4140.3 Ų40.334%0.33922%0.219SC..Hα-helixtrans-65.3-35.2172.900000112.1E267 C273E267-A269 PolarHBondContact O-N 3.16Å; E267-A269 VanDerWaalsContact O-N 3.1Å; A269-C273 VanDerWaalsContact O-CB 3.27Å; A269-C273 WeakPolarHBondContact O-CB 3.07Å; A269-C273 PolarHBondContact O-N 2.78Å
270A83.6Confident86.5Confident1 Ų140.3 Ų40.31%0.00822%0.219CC..Hα-helixtrans-63.3-50.7174.300000110.4V169 L173 L265 E267 P268 K272 C273 L274V169-A270 HydrophobicContact CG1-CB 3.64Å; L173-A270 HydrophobicContact CD1-CB 4.19Å; L265-A270 HydrophobicContact CB-CB 4.09Å; L265-A270 HydrophobicContact CD1-CB 4.25Å; E267-A270 HydrophobicContact CB-CB 4.04Å; E267-A270 WeakPolarHBondContact O-CA 2.84Å; E267-A270 WeakPolarHBondContact O-CB 3.42Å; E267-A270 PolarHBondContact O-N 3.08Å; P268-A270 VanDerWaalsContact C-N 3.31Å; A270-K272 PolarHBondContact O-N 3.01Å; A270-C273 PolarHBondContact O-N 3.47Å; A270-C273 VanDerWaalsContact O-N 3.15Å; A270-L274 WeakPolarHBondContact O-CB 3.49Å; A270-L274 WeakPolarHBondContact O-CD1 3.45Å; A270-L274 VanDerWaalsContact O-CG 3.28Å; A270-L274 WeakPolarHBondContact O-CG 3.48Å; A270-L274 PolarHBondContact O-N 3.27Å
271A86.4Confident86.4Confident3 Ų339.4 Ų39.43%0.02522%0.216CC..Hα-helixtrans-56.2-48.4177.300000111.9E267 P268 C273 L274 T275 Q350 A353E267-A271 PolarHBondContact O-N 3.39Å; P268-A271 PolarHBondContact O-N 3.01Å; A271-C273 VanDerWaalsContact C-N 3.33Å; A271-C273 PolarHBondContact O-N 3Å; A271-L274 PolarHBondContact O-N 3.45Å; A271-T275 WeakPolarHBondContact O-CG2 3.41Å; A271-T275 PolarHBondContact O-N 3.32Å; A271-T275 PolarHBondContact O-OG1 3.37Å; A271-Q350 HydrophobicContact CB-CB 4.21Å; A271-Q350 HydrophobicContact CB-CG 4.4Å; A271-A353 HydrophobicContact CB-CB 3.87Å
272K84.1Confident86.4Confident120 Ų12041 Ų4152%0.52222%0.222SC..Hα-helixtrans-61.3-41.9177-172177.6-178.9177.40112.1P268 A270 T275 E276P268-K272 PolarHBondContact O-N 3.27Å; A270-K272 PolarHBondContact O-N 3.01Å; K272-T275 PolarHBondContact O-N 3.4Å; K272-T275 PolarHBondContact O-OG1 3.38Å; K272-E276 WeakPolarHBondContact CE-OE1 3.01Å; K272-E276 WeakPolarHBondContact CE-OE2 3.33Å; K272-E276 HydrophobicContact CG-CG 4.22Å; K272-E276 WeakPolarHBondContact CG-OE1 3.35Å; K272-E276 IonicContact NZ-OE2 2.55Å; K272-E276 WeakPolarHBondContact O-CB 3.34Å; K272-E276 PolarHBondContact O-N 2.78Å
273C82.3Confident86.2Confident6 Ų642.6 Ų42.64%0.04123%0.231CC..Hα-helixtrans-65.7-43.7178.9-167.30000111.7L173 A269 A270 A271 T275 N277L173-C273 VanDerWaalsContact C-SG 3.51Å; L173-C273 HydrophobicContact CB-CB 4.22Å; L173-C273 PolarHBondContact O-SG 3.41Å; A269-C273 VanDerWaalsContact O-CB 3.27Å; A269-C273 WeakPolarHBondContact O-CB 3.07Å; A269-C273 PolarHBondContact O-N 2.78Å; A270-C273 PolarHBondContact O-N 3.47Å; A270-C273 VanDerWaalsContact O-N 3.15Å; A271-C273 VanDerWaalsContact C-N 3.33Å; A271-C273 PolarHBondContact O-N 3Å; C273-T275 VanDerWaalsContact C-N 3.32Å; C273-T275 PolarHBondContact O-N 3.32Å; C273-N277 WeakPolarHBondContact O-CA 3.23Å; C273-N277 WeakPolarHBondContact O-CB 3.43Å; C273-N277 PolarHBondContact O-N 2.74Å
274L85.7Confident86.2Confident2 Ų243 Ų431%0.0123%0.233CC..Hα-helixtrans-59.8-41.5177-74.1161000111.7V237 L262 V263 A270 A271 T278 L280V237-L274 HydrophobicContact CB-CD2 4.47Å; V237-L274 HydrophobicContact CG1-CD2 4.15Å; V237-L274 HydrophobicContact CG2-CD2 3.48Å; V237-L274 VanDerWaalsContact CG2-CD2 3.48Å; L262-L274 HydrophobicContact CB-CD2 4.44Å; V263-L274 HydrophobicContact CB-CD1 4.45Å; V263-L274 HydrophobicContact CG1-CD1 4.09Å; A270-L274 WeakPolarHBondContact O-CB 3.49Å; A270-L274 WeakPolarHBondContact O-CD1 3.45Å; A270-L274 VanDerWaalsContact O-CG 3.28Å; A270-L274 WeakPolarHBondContact O-CG 3.48Å; A270-L274 PolarHBondContact O-N 3.27Å; A271-L274 PolarHBondContact O-N 3.45Å; L274-T278 PolarHBondContact O-OG1 3.11Å; L274-L280 HydrophobicContact CD2-CD2 4.25Å
275T84.8Confident86.3Confident29 Ų2941.7 Ų41.718%0.17822%0.223CC..Hα-helixtrans-84.9-36.1-175.855.50000114.4A271 K272 C273 A353 V356A271-T275 WeakPolarHBondContact O-CG2 3.41Å; A271-T275 PolarHBondContact O-N 3.32Å; A271-T275 PolarHBondContact O-OG1 3.37Å; K272-T275 PolarHBondContact O-N 3.4Å; K272-T275 PolarHBondContact O-OG1 3.38Å; C273-T275 VanDerWaalsContact C-N 3.32Å; C273-T275 PolarHBondContact O-N 3.32Å; T275-A353 HydrophobicContact CG2-CB 3.98Å; T275-V356 HydrophobicContact CG2-CB 3.76Å; T275-V356 HydrophobicContact CG2-CG1 3.83Å; T275-V356 HydrophobicContact CG2-CG2 4.25Å
276E83.5Confident86.5Confident119 Ų11945.7 Ų45.756%0.55625%0.245SC*.Hα-helixtrans-101.2-26.5-172.7-62.6179.8-170.100114K272K272-E276 WeakPolarHBondContact CE-OE1 3.01Å; K272-E276 WeakPolarHBondContact CE-OE2 3.33Å; K272-E276 HydrophobicContact CG-CG 4.22Å; K272-E276 WeakPolarHBondContact CG-OE1 3.35Å; K272-E276 IonicContact NZ-OE2 2.55Å; K272-E276 WeakPolarHBondContact O-CB 3.34Å; K272-E276 PolarHBondContact O-N 2.78Å
277N76.9Confident86.8Confident56 Ų5644.8 Ų44.830%0.29923%0.231SC..SBendtrans-111.51.7-172.2-61.3-45.3000113.8N175 C273N175-N277 PolarHBondContact ND2-O 3.14Å; C273-N277 WeakPolarHBondContact O-CA 3.23Å; C273-N277 WeakPolarHBondContact O-CB 3.43Å; C273-N277 PolarHBondContact O-N 2.74Å
278T84.1Confident87.3Confident19 Ų1942.4 Ų42.412%0.11722%0.22CC..SBendtrans-130159.3178.386.20000111.2V237 L274 L280V237-T278 HydrophobicContact CB-CG2 3.88Å; V237-T278 HydrophobicContact CG1-CG2 3.79Å; V237-T278 HydrophobicContact CG2-CG2 4.28Å; L274-T278 PolarHBondContact O-OG1 3.11Å; T278-L280 PolarHBondContact O-N 3.12Å; T278-L280 VanDerWaalsContact OG1-CB 3.3Å; T278-L280 WeakPolarHBondContact OG1-CB 3.45Å; T278-L280 PolarHBondContact OG1-N 3.24Å
279E85.8Confident88Confident117 Ų11739.3 Ų39.355%0.54720%0.199SC..SBendtrans-86.919.6176.8-61.4175.4176.900112C281 E282 L283E279-C281 PolarHBondContact O-N 3.16Å; E279-E282 PolarHBondContact O-N 3.15Å; E279-L283 HydrophobicContact CB-CD1 4.32Å; E279-L283 HydrophobicContact CB-CG 4.33Å; E279-L283 WeakPolarHBondContact O-CB 3.21Å; E279-L283 WeakPolarHBondContact O-CG 3.23Å; E279-L283 PolarHBondContact O-N 2.83Å
280L89.8Confident88.8Confident2 Ų240.9 Ų40.91%0.0121%0.208CC..Hα-helixtrans-55.4-53.8-176176.463.4000111.6L241 L259 V263 L274 T278 E282 L283 L284 L345 M357L241-L280 HydrophobicContact CD1-CB 4.38Å; L241-L280 HydrophobicContact CD2-CD1 3.76Å; L259-L280 HydrophobicContact CD1-CD1 4.3Å; L259-L280 HydrophobicContact CD2-CD1 4.48Å; V263-L280 HydrophobicContact CG1-CD2 4.1Å; L274-L280 HydrophobicContact CD2-CD2 4.25Å; T278-L280 PolarHBondContact O-N 3.12Å; T278-L280 VanDerWaalsContact OG1-CB 3.3Å; T278-L280 WeakPolarHBondContact OG1-CB 3.45Å; T278-L280 PolarHBondContact OG1-N 3.24Å; L280-E282 VanDerWaalsContact C-N 3.28Å; L280-E282 PolarHBondContact O-N 3.33Å; L280-L283 PolarHBondContact O-N 2.92Å; L280-L284 HydrophobicContact CD1-CD1 3.75Å; L280-L284 HydrophobicContact CD1-CD2 4.41Å; L280-L284 HydrophobicContact CD1-CG 3.96Å; L280-L284 HydrophobicContact CG-CD1 3.83Å; L280-L284 HydrophobicContact CG-CG 4.42Å; L280-L284 WeakPolarHBondContact O-CB 3.22Å; L280-L284 WeakPolarHBondContact O-CG 3.46Å; L280-L284 PolarHBondContact O-N 2.72Å; L280-L345 HydrophobicContact CD1-CD2 4.46Å; L280-M357 HydrophobicContact CD2-SD 4.08Å
281C92.4Very high89.3Confident15 Ų1543.3 Ų43.310%0.10122%0.218CC..Hα-helixtrans-61.9-38.6-178.5-61.20000111.9E279 T285 A360E279-C281 PolarHBondContact O-N 3.16Å; C281-T285 WeakPolarHBondContact O-CB 3.48Å; C281-T285 WeakPolarHBondContact O-CG2 3.39Å; C281-T285 PolarHBondContact O-N 2.98Å; C281-T285 VanDerWaalsContact O-N 3.15Å; C281-T285 PolarHBondContact O-OG1 2.83Å; C281-A360 HydrophobicContact CB-CB 3.94Å
282E91.8Very high89.8Confident83 Ų8344.2 Ų44.239%0.38822%0.221SC..Hα-helixtrans-67.1-49.9-179.5-49.8-161.413000110.8E279 L280 L284 T285 D286 R364E279-E282 PolarHBondContact O-N 3.15Å; L280-E282 VanDerWaalsContact C-N 3.28Å; L280-E282 PolarHBondContact O-N 3.33Å; E282-L284 PolarHBondContact O-N 3.14Å; E282-T285 PolarHBondContact O-N 3.31Å; E282-T285 PolarHBondContact O-OG1 3.48Å; E282-T285 VanDerWaalsContact O-OG1 3.06Å; E282-D286 VanDerWaalsContact O-CB 3.22Å; E282-D286 WeakPolarHBondContact O-CB 3.29Å; E282-D286 PolarHBondContact O-N 3.35Å; E282-R364 IonicContact OE1-CZ 2.75Å; E282-R364 IonicContact OE1-NH1 3.59Å; E282-R364 IonicContact OE1-NH2 2.73Å; E282-R364 PolarHBondContact OE1-NH2 3.46Å
283L89Confident90.4Very high34 Ų3445.8 Ų45.818%0.17823%0.228CC..Hα-helixtrans-66.3-38.2-179.9-71175.5000113L241 E279 L280 R287L241-L283 HydrophobicContact CB-CD1 3.81Å; L241-L283 HydrophobicContact CD1-CD1 3.99Å; L241-L283 HydrophobicContact CD2-CB 4.36Å; L241-L283 HydrophobicContact CD2-CD1 3.92Å; L241-L283 HydrophobicContact CG-CD1 4.12Å; E279-L283 HydrophobicContact CB-CD1 4.32Å; E279-L283 HydrophobicContact CB-CG 4.33Å; E279-L283 WeakPolarHBondContact O-CB 3.21Å; E279-L283 WeakPolarHBondContact O-CG 3.23Å; E279-L283 PolarHBondContact O-N 2.83Å; L280-L283 PolarHBondContact O-N 2.92Å; L283-R287 WeakPolarHBondContact O-CB 3.34Å; L283-R287 PolarHBondContact O-N 3.26Å; L283-R287 VanDerWaalsContact O-N 3.07Å
284L91.7Very high90.9Very high12 Ų1248.5 Ų48.56%0.06325%0.251CS..Hα-helixtrans-60.2-49.6175.9-71.7171.6000111L280 E282 L288 W338 Y341 L345 M357L280-L284 HydrophobicContact CD1-CD1 3.75Å; L280-L284 HydrophobicContact CD1-CD2 4.41Å; L280-L284 HydrophobicContact CD1-CG 3.96Å; L280-L284 HydrophobicContact CG-CD1 3.83Å; L280-L284 HydrophobicContact CG-CG 4.42Å; L280-L284 WeakPolarHBondContact O-CB 3.22Å; L280-L284 WeakPolarHBondContact O-CG 3.46Å; L280-L284 PolarHBondContact O-N 2.72Å; E282-L284 PolarHBondContact O-N 3.14Å; L284-L288 WeakPolarHBondContact O-CB 3.44Å; L284-L288 PolarHBondContact O-N 3.35Å; L284-W338 HydrophobicContact CD2-CH2 4.3Å; L284-W338 HydrophobicContact CD2-CZ2 3.76Å; L284-W338 PolarHBondContact O-NE1 3Å; L284-Y341 HydrophobicContact CD2-CD1 4.29Å; L284-Y341 HydrophobicContact CD2-CE1 3.76Å; L284-L345 HydrophobicContact CD1-CD2 3.51Å; L284-L345 HydrophobicContact CD2-CD2 3.96Å; L284-L345 HydrophobicContact CG-CD2 4.37Å; L284-M357 HydrophobicContact CD1-SD 4.24Å
285T95.3Very high91.4Very high1 Ų149.2 Ų49.21%0.00626%0.255CS..Hα-helixtrans-73.2-42.1-176.852.80000112.3C281 E282 R287 L288 V289 A360 V361 R364C281-T285 WeakPolarHBondContact O-CB 3.48Å; C281-T285 WeakPolarHBondContact O-CG2 3.39Å; C281-T285 PolarHBondContact O-N 2.98Å; C281-T285 VanDerWaalsContact O-N 3.15Å; C281-T285 PolarHBondContact O-OG1 2.83Å; E282-T285 PolarHBondContact O-N 3.31Å; E282-T285 PolarHBondContact O-OG1 3.48Å; E282-T285 VanDerWaalsContact O-OG1 3.06Å; T285-R287 VanDerWaalsContact C-N 3.29Å; T285-R287 PolarHBondContact O-N 3.23Å; T285-L288 WeakPolarHBondContact O-CB 3.46Å; T285-L288 PolarHBondContact O-N 2.73Å; T285-V289 WeakPolarHBondContact O-CB 3.41Å; T285-V289 VanDerWaalsContact O-CG2 3.28Å; T285-V289 WeakPolarHBondContact O-CG2 3.2Å; T285-V289 PolarHBondContact O-N 3.22Å; T285-A360 HydrophobicContact CG2-CB 4.28Å; T285-V361 HydrophobicContact CG2-CG2 3.97Å; T285-R364 HydrophobicContact CG2-CB 4.21Å; T285-R364 WeakPolarHBondContact OG1-CD 3.41Å
286D95Very high91.7Very high87 Ų8749.4 Ų49.447%0.46526%0.256SS..Hα-helixtrans-61.4-39.5176.8-70.8-9.1000111.2E282 V289 S290 R364E282-D286 VanDerWaalsContact O-CB 3.22Å; E282-D286 WeakPolarHBondContact O-CB 3.29Å; E282-D286 PolarHBondContact O-N 3.35Å; D286-V289 PolarHBondContact O-N 2.96Å; D286-S290 WeakPolarHBondContact O-CB 3.49Å; D286-S290 PolarHBondContact O-N 3.29Å; D286-R364 IonicContact OD1-NH1 2.83Å
287R93.2Very high91.8Very high64 Ų6449.8 Ų49.824%0.24227%0.269CS..Hα-helixtrans-70.7-39.4176.2-169.8170.9-172.9175.99.4112.2T244 L283 T285 V289 S290 F291 W338T244-R287 PolarHBondContact O-NH1 3.07Å; T244-R287 PolarHBondContact O-NH2 2.85Å; T244-R287 VanDerWaalsContact O-NH2 3.14Å; L283-R287 WeakPolarHBondContact O-CB 3.34Å; L283-R287 PolarHBondContact O-N 3.26Å; L283-R287 VanDerWaalsContact O-N 3.07Å; T285-R287 VanDerWaalsContact C-N 3.29Å; T285-R287 PolarHBondContact O-N 3.23Å; R287-V289 VanDerWaalsContact C-N 3.33Å; R287-V289 PolarHBondContact O-N 3.5Å; R287-S290 WeakPolarHBondContact O-CB 3.46Å; R287-S290 PolarHBondContact O-N 2.93Å; R287-F291 HydrophobicContact CG-CD2 3.91Å; R287-F291 HydrophobicContact CG-CE2 3.56Å; R287-F291 HydrophobicContact CG-CZ 4.34Å; R287-F291 VanDerWaalsContact O-CD2 3.29Å; R287-F291 WeakPolarHBondContact O-CD2 3.39Å; R287-F291 PolarHBondContact O-N 3.22Å; R287-W338 HydrophobicContact CB-CZ2 4.06Å; R287-W338 HydrophobicContact CG-CD2 4.22Å; R287-W338 HydrophobicContact CG-CZ2 4.12Å
288L96Very high92.5Very high0 Ų050.5 Ų50.50%028%0.278CS..Hα-helixtrans-58.8-46.6172.8-177.565.2000111L284 T285 S290 F291 Y292 F335 L339 V361 F365L284-L288 WeakPolarHBondContact O-CB 3.44Å; L284-L288 PolarHBondContact O-N 3.35Å; T285-L288 WeakPolarHBondContact O-CB 3.46Å; T285-L288 PolarHBondContact O-N 2.73Å; L288-S290 VanDerWaalsContact C-N 3.35Å; L288-S290 PolarHBondContact O-N 3.2Å; L288-F291 PolarHBondContact O-N 2.89Å; L288-Y292 PolarHBondContact O-N 3.21Å; L288-F335 HydrophobicContact CD1-CD2 3.99Å; L288-F335 HydrophobicContact CD1-CE2 3.56Å; L288-F335 HydrophobicContact CD1-CZ 4.41Å; L288-F335 HydrophobicContact CG-CE2 4.23Å; L288-L339 HydrophobicContact CD1-CB 4.12Å; L288-L339 HydrophobicContact CD1-CD1 4.19Å; L288-L339 HydrophobicContact CD2-CD1 4.46Å; L288-V361 HydrophobicContact CD2-CG1 4.08Å; L288-F365 HydrophobicContact CD2-CB 3.99Å; L288-F365 HydrophobicContact CD2-CD1 3.78Å; L288-F365 HydrophobicContact CD2-CD2 4.18Å; L288-F365 HydrophobicContact CD2-CE1 4.31Å; L288-F365 HydrophobicContact CD2-CG 3.7Å; L288-F365 HydrophobicContact CG-CD1 4.46Å; L288-F365 HydrophobicContact CG-CD2 4.12Å; L288-F365 HydrophobicContact CG-CE2 4.41Å; L288-F365 HydrophobicContact CG-CG 4.16Å
289V97.4Very high92.9Very high14 Ų1450 Ų509%0.08528%0.275CS..Hα-helixtrans-62.2-41.6175.2169.60000111.3T285 D286 R287 F291 Y292 K293 F365 V369T285-V289 WeakPolarHBondContact O-CB 3.41Å; T285-V289 VanDerWaalsContact O-CG2 3.28Å; T285-V289 WeakPolarHBondContact O-CG2 3.2Å; T285-V289 PolarHBondContact O-N 3.22Å; D286-V289 PolarHBondContact O-N 2.96Å; R287-V289 VanDerWaalsContact C-N 3.33Å; R287-V289 PolarHBondContact O-N 3.5Å; V289-F291 PolarHBondContact O-N 3.02Å; V289-Y292 PolarHBondContact O-N 3.2Å; V289-K293 HydrophobicContact CG1-CD 3.89Å; V289-K293 VanDerWaalsContact CG1-CE 3.5Å; V289-K293 HydrophobicContact CG1-CG 4.35Å; V289-K293 WeakPolarHBondContact O-CB 3.48Å; V289-K293 WeakPolarHBondContact O-CG 3.36Å; V289-K293 PolarHBondContact O-N 3.31Å; V289-F365 HydrophobicContact CG2-CB 4.37Å; V289-F365 HydrophobicContact CG2-CD2 4.07Å; V289-V369 HydrophobicContact CG1-CG2 3.92Å; V289-V369 HydrophobicContact CG2-CG2 3.85Å
290S96.1Very high93.1Very high74 Ų7448.5 Ų48.552%0.51727%0.27SS..Hα-helixtrans-62.2-41.7177-174.70000112.1D286 R287 L288 A294D286-S290 WeakPolarHBondContact O-CB 3.49Å; D286-S290 PolarHBondContact O-N 3.29Å; R287-S290 WeakPolarHBondContact O-CB 3.46Å; R287-S290 PolarHBondContact O-N 2.93Å; L288-S290 VanDerWaalsContact C-N 3.35Å; L288-S290 PolarHBondContact O-N 3.2Å; S290-A294 PolarHBondContact O-N 3.48Å
291F94.8Very high93.2Very high52 Ų5249.5 Ų49.523%0.22828%0.277CS..Hα-helixtrans-68.8-39.5176.5-75-52.7000112R287 L288 V289 A294 F335 W338R287-F291 HydrophobicContact CG-CD2 3.91Å; R287-F291 HydrophobicContact CG-CE2 3.56Å; R287-F291 HydrophobicContact CG-CZ 4.34Å; R287-F291 VanDerWaalsContact O-CD2 3.29Å; R287-F291 WeakPolarHBondContact O-CD2 3.39Å; R287-F291 PolarHBondContact O-N 3.22Å; L288-F291 PolarHBondContact O-N 2.89Å; V289-F291 PolarHBondContact O-N 3.02Å; F291-A294 WeakPolarHBondContact O-CB 3.45Å; F291-A294 PolarHBondContact O-N 3.19Å; F291-F335 HydrophobicContact CB-CB 4.07Å; F291-F335 HydrophobicContact CB-CD2 4.22Å; F291-W338 HydrophobicContact CD2-CB 3.56Å; F291-W338 HydrophobicContact CD2-CD2 4.42Å; F291-W338 AromaticContact CD2-CG 3.68Å; F291-W338 HydrophobicContact CD2-CG 3.68Å; F291-W338 HydrophobicContact CE2-CB 3.7Å; F291-W338 HydrophobicContact CE2-CD2 4.03Å; F291-W338 HydrophobicContact CE2-CE3 4.36Å; F291-W338 AromaticContact CE2-CG 3.72Å; F291-W338 HydrophobicContact CE2-CG 3.72Å
292Y96.2Very high93Very high22 Ų2253.7 Ų53.79%0.08630%0.298CS..Hα-helixtrans-61.5-45174-176.9-91.2000112.1L288 V289 A294 L295 F335 F365 V369 M370 Q373 L388L288-Y292 PolarHBondContact O-N 3.21Å; V289-Y292 PolarHBondContact O-N 3.2Å; Y292-A294 PolarHBondContact O-N 3.13Å; Y292-L295 HydrophobicContact CD2-CD1 3.84Å; Y292-L295 HydrophobicContact CE2-CD1 4.25Å; Y292-L295 HydrophobicContact CG-CD1 4.36Å; Y292-L295 VanDerWaalsContact O-CB 3.22Å; Y292-L295 WeakPolarHBondContact O-CB 3.44Å; Y292-L295 VanDerWaalsContact O-CG 3.23Å; Y292-L295 WeakPolarHBondContact O-CG 3.45Å; Y292-L295 PolarHBondContact O-N 3.14Å; Y292-F335 HydrophobicContact CD2-CD2 4.47Å; Y292-F335 AromaticContact CD2-CE2 3.94Å; Y292-F335 HydrophobicContact CD2-CE2 3.94Å; Y292-F335 HydrophobicContact CD2-CZ 4.01Å; Y292-F335 HydrophobicContact CG-CE2 4.41Å; Y292-F365 HydrophobicContact CD1-CE2 4.44Å; Y292-F365 AromaticContact CD2-CE2 3.75Å; Y292-F365 HydrophobicContact CD2-CE2 3.75Å; Y292-F365 AromaticContact CD2-CZ 3.85Å; Y292-F365 HydrophobicContact CD2-CZ 3.85Å; Y292-F365 HydrophobicContact CE2-CE2 4.45Å; Y292-F365 HydrophobicContact CE2-CZ 4.35Å; Y292-F365 AromaticContact CG-CE2 3.73Å; Y292-F365 HydrophobicContact CG-CE2 3.73Å; Y292-F365 HydrophobicContact CG-CZ 4.31Å; Y292-V369 HydrophobicContact CD1-CG1 3.53Å; Y292-V369 HydrophobicContact CE1-CG1 3.65Å; Y292-V369 HydrophobicContact CG-CG1 4.44Å; Y292-M370 HydrophobicContact CE2-SD 4.18Å; Y292-Q373 HydrophobicContact CE1-CG 4.42Å; Y292-L388 HydrophobicContact CE2-CD1 3.96Å
293K95.4Very high93Very high153 Ų15352 Ų5267%0.66529%0.291SS*.Hα-helixtrans-65.4-18.9177.2-74.1175.7178.6172.60113.7V289 L295V289-K293 HydrophobicContact CG1-CD 3.89Å; V289-K293 VanDerWaalsContact CG1-CE 3.5Å; V289-K293 HydrophobicContact CG1-CG 4.35Å; V289-K293 WeakPolarHBondContact O-CB 3.48Å; V289-K293 WeakPolarHBondContact O-CG 3.36Å; V289-K293 PolarHBondContact O-N 3.31Å; K293-L295 VanDerWaalsContact C-N 3.3Å
294A94.8Very high93.1Very high63 Ų6350.3 Ų50.352%0.52128%0.283SS..THydrogen-bonded Turntrans-82.4-7.9174.800000113S290 F291 Y292S290-A294 PolarHBondContact O-N 3.48Å; F291-A294 WeakPolarHBondContact O-CB 3.45Å; F291-A294 PolarHBondContact O-N 3.19Å; Y292-A294 PolarHBondContact O-N 3.13Å
295L94.5Very high92.8Very high18 Ų1852.8 Ų52.89%0.09429%0.294CS..SBendtrans-69146.7174.5-59.6174.7000110.7Y292 K293 M299 A331 L332 F335 L388Y292-L295 HydrophobicContact CD2-CD1 3.84Å; Y292-L295 HydrophobicContact CE2-CD1 4.25Å; Y292-L295 HydrophobicContact CG-CD1 4.36Å; Y292-L295 VanDerWaalsContact O-CB 3.22Å; Y292-L295 WeakPolarHBondContact O-CB 3.44Å; Y292-L295 VanDerWaalsContact O-CG 3.23Å; Y292-L295 WeakPolarHBondContact O-CG 3.45Å; Y292-L295 PolarHBondContact O-N 3.14Å; K293-L295 VanDerWaalsContact C-N 3.3Å; L295-M299 HydrophobicContact CB-SD 4.48Å; L295-A331 VanDerWaalsContact CD2-C 3.47Å; L295-A331 HydrophobicContact CD2-CB 3.98Å; L295-L332 HydrophobicContact CD2-CB 4.08Å; L295-L332 HydrophobicContact CD2-CD1 4.35Å; L295-F335 HydrophobicContact CD1-CD1 4.28Å; L295-F335 HydrophobicContact CD1-CG 4.31Å; L295-F335 HydrophobicContact CD2-CB 4.24Å; L295-L388 HydrophobicContact CD1-CD1 4.02Å; L295-L388 HydrophobicContact CD1-CD2 4.21Å
296P91.8Very high92.4Very high32 Ų3256.7 Ų56.721%0.20832%0.318CS..  trans-56.8145.1168.4-21.631.5000111.6S298 M299P296-S298 PolarHBondContact O-N 3.11Å; P296-M299 HydrophobicContact CB-CG 4.03Å; P296-M299 HydrophobicContact CG-CG 4.17Å; P296-M299 HydrophobicContact CG-SD 4.38Å
297P86.2Confident91.9Very high128 Ų12853 Ų5383%0.83130%0.299SS*.SBendtrans-67.9-15.8-179.828.5-36000113.6
298S90.2Very high91.1Very high70 Ų7057.9 Ų57.949%0.4932%0.324SS..  trans-137.9124.8177172.70000107.9P296 V380P296-S298 PolarHBondContact O-N 3.11Å; S298-V380 WeakPolarHBondContact OG-CG1 3.48Å
299M92.7Very high90.1Very high10 Ų1062.5 Ų62.55%0.04936%0.357CS..  trans-135.2142.2174.1-61.5-175.767.200108.7L295 P296 P301 I304 F326 L332 T384L295-M299 HydrophobicContact CB-SD 4.48Å; P296-M299 HydrophobicContact CB-CG 4.03Å; P296-M299 HydrophobicContact CG-CG 4.17Å; P296-M299 HydrophobicContact CG-SD 4.38Å; M299-P301 WeakPolarHBondContact O-CD 3.41Å; M299-I304 HydrophobicContact CB-CD1 3.94Å; M299-I304 HydrophobicContact CB-CG1 4.14Å; M299-I304 HydrophobicContact CE-CG1 4.23Å; M299-F326 HydrophobicContact CE-CD2 4.35Å; M299-F326 HydrophobicContact CE-CE2 3.69Å; M299-L332 HydrophobicContact CE-CB 4.12Å; M299-L332 HydrophobicContact CE-CD2 3.8Å; M299-L332 HydrophobicContact CE-CG 4.46Å; M299-T384 HydrophobicContact CB-CG2 4.06Å; M299-T384 HydrophobicContact CG-CG2 4.47Å; M299-T384 PolarHBondContact N-OG1 3.09Å; M299-T384 VanDerWaalsContact N-OG1 3.13Å; M299-T384 PolarHBondContact O-OG1 2.9Å
300D91.2Very high89.4Confident84 Ų8462.5 Ų62.545%0.44936%0.356SS..  trans-63.6127173.6-172.1-26.9000109.1L302 D303 I304D300-L302 PolarHBondContact O-N 3.33Å; D300-L302 WeakPolarHBondContact OD1-CB 3.33Å; D300-L302 PolarHBondContact OD1-N 3.15Å; D300-D303 HydrophobicContact CB-CB 4.11Å; D300-D303 WeakPolarHBondContact O-CB 3.34Å; D300-D303 PolarHBondContact O-N 3.43Å; D300-D303 VanDerWaalsContact O-N 3.08Å; D300-I304 PolarHBondContact O-N 2.85Å
301P91.1Very high88.9Confident24 Ų2462.9 Ų62.916%0.15635%0.353CS..Hα-helixtrans-52-34.8174.3-28.436.3000114.3M299 I304 E305 L383 A387 M445M299-P301 WeakPolarHBondContact O-CD 3.41Å; P301-I304 PolarHBondContact O-N 3.02Å; P301-E305 WeakPolarHBondContact O-CG 3.02Å; P301-E305 PolarHBondContact O-N 3.2Å; P301-L383 HydrophobicContact CG-CB 4.14Å; P301-A387 HydrophobicContact CB-CB 3.82Å; P301-A387 HydrophobicContact CG-CB 4.3Å; P301-M445 HydrophobicContact CB-CE 3.45Å; P301-M445 VanDerWaalsContact CB-CE 3.45Å; P301-M445 HydrophobicContact CG-CE 4.13Å
302L89.4Confident88.6Confident103 Ų10362.8 Ų62.854%0.53935%0.351SS..Hα-helixtrans-68.7-38.7178.3-174.364000111.6D300 I304 E305 T306D300-L302 PolarHBondContact O-N 3.33Å; D300-L302 WeakPolarHBondContact OD1-CB 3.33Å; D300-L302 PolarHBondContact OD1-N 3.15Å; L302-I304 VanDerWaalsContact C-N 3.26Å; L302-I304 PolarHBondContact O-N 3.08Å; L302-E305 PolarHBondContact O-N 3.2Å; L302-T306 HydrophobicContact CD1-CG2 4Å; L302-T306 HydrophobicContact CG-CG2 4.11Å; L302-T306 WeakPolarHBondContact O-CB 3.3Å; L302-T306 WeakPolarHBondContact O-CG2 3.46Å; L302-T306 PolarHBondContact O-N 3.05Å; L302-T306 PolarHBondContact O-OG1 2.63Å
303D91.1Very high87.8Confident46 Ų4663.3 Ų63.325%0.24636%0.363CS..Hα-helixtrans-62.4-36.4175.1-75.3-22.8000111.2D300 T306 V307 F326D300-D303 HydrophobicContact CB-CB 4.11Å; D300-D303 WeakPolarHBondContact O-CB 3.34Å; D300-D303 PolarHBondContact O-N 3.43Å; D300-D303 VanDerWaalsContact O-N 3.08Å; D303-T306 PolarHBondContact O-OG1 3Å; D303-V307 WeakPolarHBondContact O-CG2 3.38Å; D303-F326 HydrophobicContact CB-CB 4.46Å; D303-F326 HydrophobicContact CB-CD1 3.75Å; D303-F326 HydrophobicContact CB-CD2 3.89Å; D303-F326 HydrophobicContact CB-CE1 3.83Å; D303-F326 HydrophobicContact CB-CE2 3.96Å; D303-F326 HydrophobicContact CB-CG 3.79Å; D303-F326 HydrophobicContact CB-CZ 3.93Å; D303-F326 WeakPolarHBondContact O-CZ 3.43Å; D303-F326 VanDerWaalsContact OD2-CB 3.29Å; D303-F326 WeakPolarHBondContact OD2-CB 3.26Å
304I91.5Very high86.3Confident0 Ų062.1 Ų62.10%036%0.364CS..Hα-helixtrans-68.3-43.8175.8-62.5162.9000111.1M299 D300 P301 L302 L332 T384 A387 L388 R391M299-I304 HydrophobicContact CB-CD1 3.94Å; M299-I304 HydrophobicContact CB-CG1 4.14Å; M299-I304 HydrophobicContact CE-CG1 4.23Å; D300-I304 PolarHBondContact O-N 2.85Å; P301-I304 PolarHBondContact O-N 3.02Å; L302-I304 VanDerWaalsContact C-N 3.26Å; L302-I304 PolarHBondContact O-N 3.08Å; I304-L332 HydrophobicContact CB-CD2 4.4Å; I304-L332 HydrophobicContact CG1-CD2 4.22Å; I304-L332 HydrophobicContact CG2-CD2 4.43Å; I304-T384 HydrophobicContact CD1-CG2 4.34Å; I304-A387 HydrophobicContact CD1-CB 3.81Å; I304-L388 HydrophobicContact CD1-CD2 4.04Å; I304-L388 HydrophobicContact CD1-CG 3.96Å; I304-L388 HydrophobicContact CG1-CD2 4.28Å; I304-L388 HydrophobicContact CG2-CD2 4.06Å; I304-R391 HydrophobicContact CG2-CB 3.93Å; I304-R391 HydrophobicContact CG2-CG 4.29Å
305E85.8Confident84.8Confident63 Ų6361.2 Ų61.229%0.29435%0.35SS..Hα-helixtrans-68.9-38-178-75.7-178178.800112.7P301 L302 V307 R391 R448P301-E305 WeakPolarHBondContact O-CG 3.02Å; P301-E305 PolarHBondContact O-N 3.2Å; L302-E305 PolarHBondContact O-N 3.2Å; E305-V307 VanDerWaalsContact C-N 3.32Å; E305-V307 PolarHBondContact O-N 3.18Å; E305-R391 PolarHBondContact O-NH1 3.46Å; E305-R448 IonicContact OE1-NH1 3.68Å; E305-R448 PolarHBondContact OE1-NH1 2.89Å; E305-R448 IonicContact OE2-NH1 2.79Å; E305-R448 PolarHBondContact OE2-NH1 2.71Å
306T85.8Confident82.9Confident83 Ų8366.9 Ų66.951%0.50939%0.385SS..Hα-helixtrans-75.6-14.1-17453.10000114.4L302 D303 E308L302-T306 HydrophobicContact CD1-CG2 4Å; L302-T306 HydrophobicContact CG-CG2 4.11Å; L302-T306 WeakPolarHBondContact O-CB 3.3Å; L302-T306 WeakPolarHBondContact O-CG2 3.46Å; L302-T306 PolarHBondContact O-N 3.05Å; L302-T306 PolarHBondContact O-OG1 2.63Å; D303-T306 PolarHBondContact O-OG1 3Å; T306-E308 PolarHBondContact O-N 2.97Å; T306-E308 VanDerWaalsContact O-N 3.13Å
307V85.1Confident81.5Confident11 Ų1169.7 Ų69.77%0.06739%0.392CS..SBendtrans-59.6121171.4-175.60000108.9D303 E305 V310 F326 L332 I333 L336 R391D303-V307 WeakPolarHBondContact O-CG2 3.38Å; E305-V307 VanDerWaalsContact C-N 3.32Å; E305-V307 PolarHBondContact O-N 3.18Å; V307-V310 HydrophobicContact CG1-CG2 3.74Å; V307-F326 HydrophobicContact CG2-CE1 4.24Å; V307-F326 HydrophobicContact CG2-CZ 3.83Å; V307-L332 HydrophobicContact CG2-CD2 3.64Å; V307-L332 HydrophobicContact CG2-CG 4.43Å; V307-I333 HydrophobicContact CG1-CG1 4.13Å; V307-L336 HydrophobicContact CG1-CD1 4.36Å; V307-R391 VanDerWaalsContact O-CZ 3.23Å; V307-R391 PolarHBondContact O-NH1 3.1Å; V307-R391 PolarHBondContact O-NH2 3.42Å
308E76.6Confident80.2Confident166 Ų16666.7 Ų66.778%0.77637%0.369SS*.  trans-55.7168177.5-66-176.2171.900111.7T306 V310 R391T306-E308 PolarHBondContact O-N 2.97Å; T306-E308 VanDerWaalsContact O-N 3.13Å; E308-V310 WeakPolarHBondContact O-CG2 3.41Å; E308-V310 PolarHBondContact O-N 2.87Å; E308-R391 PolarHBondContact O-NH2 3.19Å
309S75.1Confident78.5Confident97 Ų9769.1 Ų69.168%0.67838%0.376SS*.  trans-57.8112.4178.152.50000110.2
310V82.6Confident76.8Confident13 Ų1377.2 Ų77.28%0.07941%0.411CS..  trans-88.4118.3178.4-178.10000107.7V307 E308 I333 L336 Q395V307-V310 HydrophobicContact CG1-CG2 3.74Å; E308-V310 WeakPolarHBondContact O-CG2 3.41Å; E308-V310 PolarHBondContact O-N 2.87Å; V310-I333 HydrophobicContact CG1-CG2 4.18Å; V310-I333 HydrophobicContact CG2-CG1 4.45Å; V310-L336 HydrophobicContact CB-CB 4.06Å; V310-L336 HydrophobicContact CG1-CB 4.29Å; V310-L336 HydrophobicContact CG2-CB 4.14Å; V310-L336 HydrophobicContact CG2-CD1 4.19Å; V310-Q395 PolarHBondContact O-NE2 3.27Å
311N85.6Confident75.4Confident82 Ų8279.4 Ų79.444%0.43942%0.418SS..  trans-107.7135.8174.1-61-43.5000108.8L314 D340N311-L314 HydrophobicContact CB-CD1 4.18Å; N311-D340 WeakPolarHBondContact CA-OD2 3.45Å
312W88.6Confident74.1Confident50 Ų5079.4 Ų79.419%0.18942%0.417CS..THydrogen-bonded Turntrans-60.2146.2178.378.5-85.2000111.4V253 C256 E257 M260 L314 S337 D340 Y341V253-W312 HydrophobicContact CG1-CZ3 4.19Å; C256-W312 HydrophobicContact CB-CE3 4.37Å; C256-W312 HydrophobicContact CB-CH2 4.38Å; C256-W312 HydrophobicContact CB-CZ3 3.7Å; E257-W312 HydrophobicContact CG-CH2 3.82Å; E257-W312 HydrophobicContact CG-CZ3 4.42Å; M260-W312 HydrophobicContact CE-CH2 4.06Å; M260-W312 HydrophobicContact CE-CZ2 3.34Å; M260-W312 HydrophobicContact SD-CZ2 4Å; W312-L314 PolarHBondContact O-N 3.19Å; W312-S337 WeakPolarHBondContact CB-O 3.38Å; W312-D340 HydrophobicContact CB-CB 4.27Å; W312-D340 VanDerWaalsContact CD1-OD2 3.23Å; W312-D340 PolarHBondContact N-OD2 3.35Å; W312-Y341 AromaticContact CD2-CD2 3.72Å; W312-Y341 HydrophobicContact CD2-CD2 3.72Å; W312-Y341 HydrophobicContact CD2-CG 4.46Å; W312-Y341 AromaticContact CE3-CD2 3.69Å; W312-Y341 HydrophobicContact CE3-CD2 3.69Å; W312-Y341 HydrophobicContact CE3-CE2 4.37Å; W312-Y341 HydrophobicContact CE3-CG 4.47Å; W312-Y341 HydrophobicContact CG-CD2 4.21Å; W312-Y341 HydrophobicContact CH2-CD2 4.36Å; W312-Y341 HydrophobicContact CH2-CE2 4.4Å; W312-Y341 HydrophobicContact CZ2-CD2 4.39Å; W312-Y341 HydrophobicContact CZ3-CD2 4.03Å; W312-Y341 HydrophobicContact CZ3-CE2 4.25Å
313G77.9Confident72.8Confident34 Ų3478.3 Ų78.335%0.35142%0.422SS..THydrogen-bonded Turntrans75.8-2.4174.900000116.5
314L64.9Low71.5Confident128 Ų12880.1 Ų80.167%0.6744%0.444SS*.  trans-108.810176.8-67.1177000113.8N311 W312 V316N311-L314 HydrophobicContact CB-CD1 4.18Å; W312-L314 PolarHBondContact O-N 3.19Å; L314-V316 PolarHBondContact O-N 2.96Å
315D63.6Low70.7Confident44 Ų4484.4 Ų84.424%0.23547%0.47CS..  trans-66.597.1-176.7-62.4-36000111.7Y317 S337D315-Y317 HydrophobicContact CB-CD2 4.11Å; D315-Y317 HydrophobicContact CB-CE1 4.07Å; D315-Y317 HydrophobicContact CB-CE2 3.45Å; D315-Y317 VanDerWaalsContact CB-CE2 3.45Å; D315-Y317 VanDerWaalsContact CB-CZ 3.42Å; D315-Y317 PolarHBondContact O-N 3.39Å; D315-Y317 PolarHBondContact OD2-OH 3.19Å; D315-S337 VanDerWaalsContact OD2-CB 3.31Å; D315-S337 WeakPolarHBondContact OD2-CB 3.15Å; D315-S337 PolarHBondContact OD2-OG 2.99Å
316V55.1Low70.7Confident137 Ų13782.2 Ų82.283%0.8346%0.46SS*.  trans-86.991.8165.4-177.30000107.6L314 N318L314-V316 PolarHBondContact O-N 2.96Å; V316-N318 PolarHBondContact O-N 3.36Å
317Y61.2Low70.6Confident91 Ų9184.4 Ų84.436%0.35747%0.473SS..  trans-68.9113.8179.5-62.6-77.8000111.3D315 R330D315-Y317 HydrophobicContact CB-CD2 4.11Å; D315-Y317 HydrophobicContact CB-CE1 4.07Å; D315-Y317 HydrophobicContact CB-CE2 3.45Å; D315-Y317 VanDerWaalsContact CB-CE2 3.45Å; D315-Y317 VanDerWaalsContact CB-CZ 3.42Å; D315-Y317 PolarHBondContact O-N 3.39Å; D315-Y317 PolarHBondContact OD2-OH 3.19Å; Y317-R330 HydrophobicContact CD1-CG 4.47Å; Y317-R330 HydrophobicContact CE1-CG 4.48Å
318N59.1Low70.7Confident65 Ų6584.9 Ų84.935%0.34848%0.48SS..  trans-100.990.5167.1-166.3-14.5000110.1V316 K320 E321 D322V316-N318 PolarHBondContact O-N 3.36Å; N318-K320 PolarHBondContact O-N 3.41Å; N318-E321 HydrophobicContact CB-CB 4.27Å; N318-E321 PolarHBondContact ND2-OE1 2.89Å; N318-E321 PolarHBondContact ND2-OE2 3.47Å; N318-E321 PolarHBondContact O-N 2.87Å; N318-E321 VanDerWaalsContact O-N 3.15Å; N318-D322 PolarHBondContact N-OD2 3.04Å; N318-D322 PolarHBondContact O-N 2.87Å
319L55.2Low71.3Confident120 Ų12078.8 Ų78.863%0.62845%0.451SS*.Hα-helixtrans-50.8-31.7-172.6-77.1123.2000115
320K57Low71.8Confident181 Ų18180.3 Ų80.379%0.78744%0.442SS*.Hα-helixtrans-90.7-31.6-175.5-70.2-175.4177.7-179.60113.2N318N318-K320 PolarHBondContact O-N 3.41Å
321E60.7Low72.2Confident130 Ų13080.9 Ų80.961%0.60745%0.448SS*.Hα-helixtrans-83-37.8-179.8-74.8171.1-165.300111.3N318 A323 A324 V325N318-E321 HydrophobicContact CB-CB 4.27Å; N318-E321 PolarHBondContact ND2-OE1 2.89Å; N318-E321 PolarHBondContact ND2-OE2 3.47Å; N318-E321 PolarHBondContact O-N 2.87Å; N318-E321 VanDerWaalsContact O-N 3.15Å; E321-A323 PolarHBondContact O-N 3.27Å; E321-A324 WeakPolarHBondContact O-CB 3.36Å; E321-A324 PolarHBondContact O-N 3.32Å; E321-V325 WeakPolarHBondContact O-CG2 3.39Å
322D64.4Low72.6Confident24 Ų2477 Ų7713%0.12843%0.427CS..Hα-helixtrans-68.5-37.9-177.2-71.3-34.5000113.5N318 A324 V325 K329N318-D322 PolarHBondContact N-OD2 3.04Å; N318-D322 PolarHBondContact O-N 2.87Å; D322-A324 PolarHBondContact O-N 3.33Å; D322-V325 PolarHBondContact O-N 3.47Å; D322-K329 HydrophobicContact CB-CD 4.14Å; D322-K329 WeakPolarHBondContact O-CD 3.19Å; D322-K329 WeakPolarHBondContact OD1-CE 3.19Å; D322-K329 IonicContact OD1-NZ 3.66Å; D322-K329 PolarHBondContact OD1-NZ 3.39Å
323A61.7Low72.7Confident79 Ų7975.6 Ų75.665%0.65342%0.423SS*.Hα-helixtrans-71.8-19.3176.400000112.9E321E321-A323 PolarHBondContact O-N 3.27Å
324A63.9Low73.3Confident84 Ų8474.9 Ų74.969%0.69441%0.413SS*.Hα-helixtrans-82.8-17.7179.600000113.1E321 D322E321-A324 WeakPolarHBondContact O-CB 3.36Å; E321-A324 PolarHBondContact O-N 3.32Å; D322-A324 PolarHBondContact O-N 3.33Å
325V75.4Confident74.7Confident90 Ų9068.8 Ų68.855%0.54538%0.381SS..Hα-helixtrans-79.7-60.9-179.9-1680000111E321 D322 K329E321-V325 WeakPolarHBondContact O-CG2 3.39Å; D322-V325 PolarHBondContact O-N 3.47Å; V325-K329 HydrophobicContact CB-CD 4.04Å; V325-K329 HydrophobicContact CG2-CD 4.17Å
326F84.4Confident76.2Confident18 Ų1866.8 Ų66.88%0.07937%0.37CS..  trans-158.5160.5174.463.8-96.8000112.4M299 D303 V307 G328 K329 L332M299-F326 HydrophobicContact CE-CD2 4.35Å; M299-F326 HydrophobicContact CE-CE2 3.69Å; D303-F326 HydrophobicContact CB-CB 4.46Å; D303-F326 HydrophobicContact CB-CD1 3.75Å; D303-F326 HydrophobicContact CB-CD2 3.89Å; D303-F326 HydrophobicContact CB-CE1 3.83Å; D303-F326 HydrophobicContact CB-CE2 3.96Å; D303-F326 HydrophobicContact CB-CG 3.79Å; D303-F326 HydrophobicContact CB-CZ 3.93Å; D303-F326 WeakPolarHBondContact O-CZ 3.43Å; D303-F326 VanDerWaalsContact OD2-CB 3.29Å; D303-F326 WeakPolarHBondContact OD2-CB 3.26Å; V307-F326 HydrophobicContact CG2-CE1 4.24Å; V307-F326 HydrophobicContact CG2-CZ 3.83Å; F326-G328 PolarHBondContact O-N 3.4Å; F326-K329 HydrophobicContact CD1-CB 4.28Å; F326-K329 HydrophobicContact CD2-CB 3.95Å; F326-K329 HydrophobicContact CE1-CB 3.94Å; F326-K329 HydrophobicContact CE1-CD 4.12Å; F326-K329 HydrophobicContact CE1-CG 3.86Å; F326-K329 HydrophobicContact CE2-CB 3.58Å; F326-K329 HydrophobicContact CE2-CG 4.22Å; F326-K329 HydrophobicContact CG-CB 4.28Å; F326-K329 HydrophobicContact CZ-CB 3.57Å; F326-K329 HydrophobicContact CZ-CD 4.44Å; F326-K329 HydrophobicContact CZ-CG 3.68Å; F326-K329 PolarHBondContact O-N 3.31Å; F326-L332 HydrophobicContact CE2-CD2 4.45Å; F326-L332 HydrophobicContact CZ-CD2 4.23Å
327T84.9Confident78Confident128 Ų12860.8 Ų60.879%0.78533%0.334SS*.THydrogen-bonded Turntrans-70.3123.9-178.3-59.90000110.6
328G86.9Confident79.6Confident21 Ų2157.5 Ų57.522%0.21632%0.321CS..THydrogen-bonded Turntrans92.5-0.6178.100000115.5F326 R330 A331 L332F326-G328 PolarHBondContact O-N 3.4Å; G328-R330 PolarHBondContact O-N 3.21Å; G328-R330 VanDerWaalsContact O-N 3.15Å; G328-A331 PolarHBondContact O-N 3.27Å; G328-L332 PolarHBondContact O-N 3.46Å
329K88.4Confident81.3Confident39 Ų3954.4 Ų54.417%0.1731%0.305CS..Hα-helixtrans-48.2-44.5176.8-175.4-177.5-179.9-158.60113.2D322 V325 F326 L332 I333D322-K329 HydrophobicContact CB-CD 4.14Å; D322-K329 WeakPolarHBondContact O-CD 3.19Å; D322-K329 WeakPolarHBondContact OD1-CE 3.19Å; D322-K329 IonicContact OD1-NZ 3.66Å; D322-K329 PolarHBondContact OD1-NZ 3.39Å; V325-K329 HydrophobicContact CB-CD 4.04Å; V325-K329 HydrophobicContact CG2-CD 4.17Å; F326-K329 HydrophobicContact CD1-CB 4.28Å; F326-K329 HydrophobicContact CD2-CB 3.95Å; F326-K329 HydrophobicContact CE1-CB 3.94Å; F326-K329 HydrophobicContact CE1-CD 4.12Å; F326-K329 HydrophobicContact CE1-CG 3.86Å; F326-K329 HydrophobicContact CE2-CB 3.58Å; F326-K329 HydrophobicContact CE2-CG 4.22Å; F326-K329 HydrophobicContact CG-CB 4.28Å; F326-K329 HydrophobicContact CZ-CB 3.57Å; F326-K329 HydrophobicContact CZ-CD 4.44Å; F326-K329 HydrophobicContact CZ-CG 3.68Å; F326-K329 PolarHBondContact O-N 3.31Å; K329-L332 WeakPolarHBondContact O-CB 3.4Å; K329-L332 PolarHBondContact O-N 3.06Å; K329-I333 HydrophobicContact CG-CD1 3.98Å; K329-I333 WeakPolarHBondContact O-CG1 3.45Å; K329-I333 PolarHBondContact O-N 3.25Å
330R87Confident83.2Confident129 Ų12949.1 Ų49.149%0.48728%0.277SS..Hα-helixtrans-64-44.9178.7-177178.71791661.9112.8Y317 G328 L332 I333 S334Y317-R330 HydrophobicContact CD1-CG 4.47Å; Y317-R330 HydrophobicContact CE1-CG 4.48Å; G328-R330 PolarHBondContact O-N 3.21Å; G328-R330 VanDerWaalsContact O-N 3.15Å; R330-L332 PolarHBondContact O-N 2.98Å; R330-I333 PolarHBondContact O-N 3.42Å; R330-S334 PolarHBondContact O-N 2.85Å; R330-S334 PolarHBondContact O-OG 3.17Å
331A90.6Very high85.1Confident24 Ų2440.7 Ų40.720%0.19824%0.24CC..Hα-helixtrans-62.5-39.2178.100000110.3L295 G328 S334 F335L295-A331 VanDerWaalsContact CD2-C 3.47Å; L295-A331 HydrophobicContact CD2-CB 3.98Å; G328-A331 PolarHBondContact O-N 3.27Å; A331-S334 PolarHBondContact O-N 3.45Å; A331-F335 WeakPolarHBondContact O-CB 3.49Å; A331-F335 PolarHBondContact O-N 3.33Å
332L92.6Very high86.8Confident0 Ų034.6 Ų34.60%021%0.212CC..Hα-helixtrans-63.7-47.4174.1-177.460.3000112.4L295 M299 I304 V307 F326 G328 K329 R330 S334 F335 L336 L388L295-L332 HydrophobicContact CD2-CB 4.08Å; L295-L332 HydrophobicContact CD2-CD1 4.35Å; M299-L332 HydrophobicContact CE-CB 4.12Å; M299-L332 HydrophobicContact CE-CD2 3.8Å; M299-L332 HydrophobicContact CE-CG 4.46Å; I304-L332 HydrophobicContact CB-CD2 4.4Å; I304-L332 HydrophobicContact CG1-CD2 4.22Å; I304-L332 HydrophobicContact CG2-CD2 4.43Å; V307-L332 HydrophobicContact CG2-CD2 3.64Å; V307-L332 HydrophobicContact CG2-CG 4.43Å; F326-L332 HydrophobicContact CE2-CD2 4.45Å; F326-L332 HydrophobicContact CZ-CD2 4.23Å; G328-L332 PolarHBondContact O-N 3.46Å; K329-L332 WeakPolarHBondContact O-CB 3.4Å; K329-L332 PolarHBondContact O-N 3.06Å; R330-L332 PolarHBondContact O-N 2.98Å; L332-S334 PolarHBondContact O-N 2.84Å; L332-F335 HydrophobicContact CD1-CD1 4.41Å; L332-F335 PolarHBondContact O-N 3.4Å; L332-L336 HydrophobicContact CD1-CD1 3.98Å; L332-L336 HydrophobicContact CD1-CD2 4.38Å; L332-L336 HydrophobicContact CD1-CG 3.95Å; L332-L336 HydrophobicContact CG-CD1 3.96Å; L332-L336 HydrophobicContact CG-CG 4.31Å; L332-L336 WeakPolarHBondContact O-CB 3.36Å; L332-L336 VanDerWaalsContact O-CG 3.3Å; L332-L336 WeakPolarHBondContact O-CG 3.38Å; L332-L336 PolarHBondContact O-N 2.82Å; L332-L388 HydrophobicContact CD1-CD2 3.77Å
333I90.9Very high88.3Confident21 Ų2133.5 Ų33.511%0.10821%0.206CC..Hα-helixtrans-59.2-46.4175.6-69.7168.2000110.6V307 V310 K329 R330 F335 L336 S337V307-I333 HydrophobicContact CG1-CG1 4.13Å; V310-I333 HydrophobicContact CG1-CG2 4.18Å; V310-I333 HydrophobicContact CG2-CG1 4.45Å; K329-I333 HydrophobicContact CG-CD1 3.98Å; K329-I333 WeakPolarHBondContact O-CG1 3.45Å; K329-I333 PolarHBondContact O-N 3.25Å; R330-I333 PolarHBondContact O-N 3.42Å; I333-F335 VanDerWaalsContact C-N 3.33Å; I333-F335 PolarHBondContact O-N 2.78Å; I333-L336 PolarHBondContact O-N 3.07Å; I333-S337 WeakPolarHBondContact O-CB 3.42Å; I333-S337 PolarHBondContact O-N 3.46Å
334S90.7Very high90Very high20 Ų2031.6 Ų31.614%0.1418%0.184CC..Hα-helixtrans-62.3-39.5178.1-63.80000112.5R330 A331 L332 W338R330-S334 PolarHBondContact O-N 2.85Å; R330-S334 PolarHBondContact O-OG 3.17Å; A331-S334 PolarHBondContact O-N 3.45Å; L332-S334 PolarHBondContact O-N 2.84Å; S334-W338 WeakPolarHBondContact O-CB 3.5Å; S334-W338 PolarHBondContact O-N 3.48Å
335F95Very high91.5Very high0 Ų027.6 Ų27.60%015%0.151CC..Hα-helixtrans-63.4-50.7173.4170.2-105.5000111.9L288 F291 Y292 L295 A331 L332 I333 S337 W338 L339 F365 I392L288-F335 HydrophobicContact CD1-CD2 3.99Å; L288-F335 HydrophobicContact CD1-CE2 3.56Å; L288-F335 HydrophobicContact CD1-CZ 4.41Å; L288-F335 HydrophobicContact CG-CE2 4.23Å; F291-F335 HydrophobicContact CB-CB 4.07Å; F291-F335 HydrophobicContact CB-CD2 4.22Å; Y292-F335 HydrophobicContact CD2-CD2 4.47Å; Y292-F335 AromaticContact CD2-CE2 3.94Å; Y292-F335 HydrophobicContact CD2-CE2 3.94Å; Y292-F335 HydrophobicContact CD2-CZ 4.01Å; Y292-F335 HydrophobicContact CG-CE2 4.41Å; L295-F335 HydrophobicContact CD1-CD1 4.28Å; L295-F335 HydrophobicContact CD1-CG 4.31Å; L295-F335 HydrophobicContact CD2-CB 4.24Å; A331-F335 WeakPolarHBondContact O-CB 3.49Å; A331-F335 PolarHBondContact O-N 3.33Å; L332-F335 HydrophobicContact CD1-CD1 4.41Å; L332-F335 PolarHBondContact O-N 3.4Å; I333-F335 VanDerWaalsContact C-N 3.33Å; I333-F335 PolarHBondContact O-N 2.78Å; F335-S337 PolarHBondContact O-N 3.48Å; F335-W338 PolarHBondContact O-N 3.13Å; F335-L339 WeakPolarHBondContact O-CB 3.29Å; F335-L339 PolarHBondContact O-N 3.23Å; F335-F365 HydrophobicContact CE2-CE2 4.02Å; F335-F365 AromaticContact CE2-CZ 3.73Å; F335-F365 HydrophobicContact CE2-CZ 3.73Å; F335-F365 HydrophobicContact CZ-CE1 4.31Å; F335-F365 HydrophobicContact CZ-CE2 4.37Å; F335-F365 AromaticContact CZ-CZ 3.64Å; F335-F365 HydrophobicContact CZ-CZ 3.64Å; F335-I392 HydrophobicContact CE1-CD1 4.01Å; F335-I392 HydrophobicContact CE1-CG1 4.09Å; F335-I392 HydrophobicContact CZ-CD1 3.83Å; F335-I392 HydrophobicContact CZ-CG1 4.22Å
336L94.1Very high92.5Very high1 Ų123.5 Ų23.51%0.00513%0.126CC..Hα-helixtrans-67.2-34.2-179-64.9178.1000112.6V307 V310 L332 I333 L339 D340 R391 Q395V307-L336 HydrophobicContact CG1-CD1 4.36Å; V310-L336 HydrophobicContact CB-CB 4.06Å; V310-L336 HydrophobicContact CG1-CB 4.29Å; V310-L336 HydrophobicContact CG2-CB 4.14Å; V310-L336 HydrophobicContact CG2-CD1 4.19Å; L332-L336 HydrophobicContact CD1-CD1 3.98Å; L332-L336 HydrophobicContact CD1-CD2 4.38Å; L332-L336 HydrophobicContact CD1-CG 3.95Å; L332-L336 HydrophobicContact CG-CD1 3.96Å; L332-L336 HydrophobicContact CG-CG 4.31Å; L332-L336 WeakPolarHBondContact O-CB 3.36Å; L332-L336 VanDerWaalsContact O-CG 3.3Å; L332-L336 WeakPolarHBondContact O-CG 3.38Å; L332-L336 PolarHBondContact O-N 2.82Å; I333-L336 PolarHBondContact O-N 3.07Å; L336-L339 HydrophobicContact CD2-CD2 4.36Å; L336-D340 WeakPolarHBondContact O-CB 3.43Å; L336-D340 PolarHBondContact O-N 3.16Å; L336-R391 HydrophobicContact CD1-CG 4.15Å; L336-R391 HydrophobicContact CD2-CG 3.83Å; L336-Q395 PolarHBondContact O-NE2 3.17Å
337S92.7Very high93.1Very high12 Ų1227.8 Ų27.88%0.08414%0.144CC..Hα-helixtrans-66.6-42.9174.9178.80000111W312 D315 I333 F335 D340 Y341W312-S337 WeakPolarHBondContact CB-O 3.38Å; D315-S337 VanDerWaalsContact OD2-CB 3.31Å; D315-S337 WeakPolarHBondContact OD2-CB 3.15Å; D315-S337 PolarHBondContact OD2-OG 2.99Å; I333-S337 WeakPolarHBondContact O-CB 3.42Å; I333-S337 PolarHBondContact O-N 3.46Å; F335-S337 PolarHBondContact O-N 3.48Å; S337-D340 PolarHBondContact O-N 3.34Å; S337-Y341 PolarHBondContact O-N 3.1Å
338W94.9Very high93.6Very high21 Ų2126.4 Ų26.48%0.0813%0.129CC..Hα-helixtrans-71.1-36.1175.6-169.4-103.8000112.9L284 R287 F291 S334 F335 Y341 C342L284-W338 HydrophobicContact CD2-CH2 4.3Å; L284-W338 HydrophobicContact CD2-CZ2 3.76Å; L284-W338 PolarHBondContact O-NE1 3Å; R287-W338 HydrophobicContact CB-CZ2 4.06Å; R287-W338 HydrophobicContact CG-CD2 4.22Å; R287-W338 HydrophobicContact CG-CZ2 4.12Å; F291-W338 HydrophobicContact CD2-CB 3.56Å; F291-W338 HydrophobicContact CD2-CD2 4.42Å; F291-W338 AromaticContact CD2-CG 3.68Å; F291-W338 HydrophobicContact CD2-CG 3.68Å; F291-W338 HydrophobicContact CE2-CB 3.7Å; F291-W338 HydrophobicContact CE2-CD2 4.03Å; F291-W338 HydrophobicContact CE2-CE3 4.36Å; F291-W338 AromaticContact CE2-CG 3.72Å; F291-W338 HydrophobicContact CE2-CG 3.72Å; S334-W338 WeakPolarHBondContact O-CB 3.5Å; S334-W338 PolarHBondContact O-N 3.48Å; F335-W338 PolarHBondContact O-N 3.13Å; W338-Y341 HydrophobicContact CD2-CD1 4.4Å; W338-Y341 HydrophobicContact CE3-CD1 4.01Å; W338-Y341 AromaticContact CH2-CD1 3.75Å; W338-Y341 HydrophobicContact CH2-CD1 3.75Å; W338-Y341 AromaticContact CH2-CE1 3.81Å; W338-Y341 HydrophobicContact CH2-CE1 3.81Å; W338-Y341 HydrophobicContact CZ2-CD1 4.16Å; W338-Y341 HydrophobicContact CZ2-CE1 4.36Å; W338-Y341 AromaticContact CZ3-CD1 3.67Å; W338-Y341 HydrophobicContact CZ3-CD1 3.67Å; W338-Y341 HydrophobicContact CZ3-CE1 4.07Å; W338-Y341 HydrophobicContact CZ3-CG 4.48Å; W338-Y341 PolarHBondContact O-N 2.73Å; W338-C342 PolarHBondContact O-N 3.04Å; W338-C342 PolarHBondContact O-SG 3.45Å
339L95.9Very high94Very high1 Ų126 Ų261%0.00512%0.123CC..Hα-helixtrans-61.3-45.1171.6179.473.9000111.1L288 F335 L336 Y341 C342 D343 I392L288-L339 HydrophobicContact CD1-CB 4.12Å; L288-L339 HydrophobicContact CD1-CD1 4.19Å; L288-L339 HydrophobicContact CD2-CD1 4.46Å; F335-L339 WeakPolarHBondContact O-CB 3.29Å; F335-L339 PolarHBondContact O-N 3.23Å; L336-L339 HydrophobicContact CD2-CD2 4.36Å; L339-Y341 VanDerWaalsContact C-N 3.32Å; L339-Y341 PolarHBondContact O-N 3.02Å; L339-C342 WeakPolarHBondContact O-CB 3.34Å; L339-C342 PolarHBondContact O-N 3.41Å; L339-D343 PolarHBondContact O-N 3.32Å; L339-I392 HydrophobicContact CD1-CG2 4.44Å; L339-I392 HydrophobicContact CD2-CB 4.15Å; L339-I392 HydrophobicContact CD2-CG1 3.69Å; L339-I392 HydrophobicContact CD2-CG2 4.07Å
340D95.3Very high94.2Very high9 Ų926.3 Ų26.35%0.04813%0.125CC..Hα-helixtrans-58.8-45.9175.2-168.949.9000110.9N311 W312 L336 S337 C342 D343 Q344N311-D340 WeakPolarHBondContact CA-OD2 3.45Å; W312-D340 HydrophobicContact CB-CB 4.27Å; W312-D340 VanDerWaalsContact CD1-OD2 3.23Å; W312-D340 PolarHBondContact N-OD2 3.35Å; L336-D340 WeakPolarHBondContact O-CB 3.43Å; L336-D340 PolarHBondContact O-N 3.16Å; S337-D340 PolarHBondContact O-N 3.34Å; D340-C342 VanDerWaalsContact C-N 3.33Å; D340-C342 PolarHBondContact O-N 3.37Å; D340-D343 PolarHBondContact O-N 3.48Å; D340-D343 VanDerWaalsContact O-N 3.17Å; D340-Q344 WeakPolarHBondContact O-CG 3.31Å; D340-Q344 PolarHBondContact O-N 3.14Å; D340-Q344 PolarHBondContact OD1-NE2 2.96Å
341Y95.8Very high94.5Very high3 Ų329.1 Ų29.11%0.01214%0.141CC..Hα-helixtrans-58.1-44.9175.4175.3-112.1000112C256 M260 L284 W312 S337 W338 L339 D343 Q344 L345C256-Y341 WeakPolarHBondContact CA-OH 3.33Å; C256-Y341 HydrophobicContact CB-CD2 4.04Å; C256-Y341 HydrophobicContact CB-CE1 4.32Å; C256-Y341 HydrophobicContact CB-CE2 3.38Å; C256-Y341 PolarHBondContact O-OH 3.42Å; C256-Y341 VanDerWaalsContact SG-CZ 3.53Å; M260-Y341 HydrophobicContact CE-CD2 4.28Å; M260-Y341 HydrophobicContact CE-CE2 4.04Å; L284-Y341 HydrophobicContact CD2-CD1 4.29Å; L284-Y341 HydrophobicContact CD2-CE1 3.76Å; W312-Y341 AromaticContact CD2-CD2 3.72Å; W312-Y341 HydrophobicContact CD2-CD2 3.72Å; W312-Y341 HydrophobicContact CD2-CG 4.46Å; W312-Y341 AromaticContact CE3-CD2 3.69Å; W312-Y341 HydrophobicContact CE3-CD2 3.69Å; W312-Y341 HydrophobicContact CE3-CE2 4.37Å; W312-Y341 HydrophobicContact CE3-CG 4.47Å; W312-Y341 HydrophobicContact CG-CD2 4.21Å; W312-Y341 HydrophobicContact CH2-CD2 4.36Å; W312-Y341 HydrophobicContact CH2-CE2 4.4Å; W312-Y341 HydrophobicContact CZ2-CD2 4.39Å; W312-Y341 HydrophobicContact CZ3-CD2 4.03Å; W312-Y341 HydrophobicContact CZ3-CE2 4.25Å; S337-Y341 PolarHBondContact O-N 3.1Å; W338-Y341 HydrophobicContact CD2-CD1 4.4Å; W338-Y341 HydrophobicContact CE3-CD1 4.01Å; W338-Y341 AromaticContact CH2-CD1 3.75Å; W338-Y341 HydrophobicContact CH2-CD1 3.75Å; W338-Y341 AromaticContact CH2-CE1 3.81Å; W338-Y341 HydrophobicContact CH2-CE1 3.81Å; W338-Y341 HydrophobicContact CZ2-CD1 4.16Å; W338-Y341 HydrophobicContact CZ2-CE1 4.36Å; W338-Y341 AromaticContact CZ3-CD1 3.67Å; W338-Y341 HydrophobicContact CZ3-CD1 3.67Å; W338-Y341 HydrophobicContact CZ3-CE1 4.07Å; W338-Y341 HydrophobicContact CZ3-CG 4.48Å; W338-Y341 PolarHBondContact O-N 2.73Å; L339-Y341 VanDerWaalsContact C-N 3.32Å; L339-Y341 PolarHBondContact O-N 3.02Å; Y341-D343 VanDerWaalsContact C-N 3.34Å; Y341-D343 PolarHBondContact O-N 2.82Å; Y341-Q344 PolarHBondContact O-N 3.17Å; Y341-L345 HydrophobicContact CE1-CD2 4.33Å; Y341-L345 HydrophobicContact CE2-CD1 4.46Å; Y341-L345 WeakPolarHBondContact O-CB 3.43Å; Y341-L345 PolarHBondContact O-N 3.34Å
342C96.5Very high94.5Very high2 Ų233.5 Ų33.51%0.01416%0.161CC..Hα-helixtrans-61.1-43.2176.2-65.60000111.5W338 L339 D340 L345 I346W338-C342 PolarHBondContact O-N 3.04Å; W338-C342 PolarHBondContact O-SG 3.45Å; L339-C342 WeakPolarHBondContact O-CB 3.34Å; L339-C342 PolarHBondContact O-N 3.41Å; D340-C342 VanDerWaalsContact C-N 3.33Å; D340-C342 PolarHBondContact O-N 3.37Å; C342-L345 PolarHBondContact O-N 3.18Å; C342-I346 WeakPolarHBondContact O-CB 3.47Å; C342-I346 WeakPolarHBondContact O-CD1 3.5Å; C342-I346 VanDerWaalsContact O-CG1 3.22Å; C342-I346 WeakPolarHBondContact O-CG1 3.3Å; C342-I346 PolarHBondContact O-N 3.01Å
343D97.1Very high94.5Very high1 Ų133.5 Ų33.51%0.00516%0.161CC..Hα-helixtrans-62.8-49177.4-173.959.3000111.8L339 D340 Y341 L345 I346 K347 V396 T397 S398 L401L339-D343 PolarHBondContact O-N 3.32Å; D340-D343 PolarHBondContact O-N 3.48Å; D340-D343 VanDerWaalsContact O-N 3.17Å; Y341-D343 VanDerWaalsContact C-N 3.34Å; Y341-D343 PolarHBondContact O-N 2.82Å; D343-L345 VanDerWaalsContact C-N 3.35Å; D343-L345 PolarHBondContact O-N 3.42Å; D343-I346 PolarHBondContact O-N 3.09Å; D343-K347 VanDerWaalsContact O-CB 3.31Å; D343-K347 WeakPolarHBondContact O-CB 3.49Å; D343-K347 PolarHBondContact O-N 2.74Å; D343-V396 WeakPolarHBondContact OD1-CG1 3.41Å; D343-T397 PolarHBondContact OD1-N 3.17Å; D343-T397 WeakPolarHBondContact OD2-CA 3.39Å; D343-T397 WeakPolarHBondContact OD2-CB 3.4Å; D343-T397 PolarHBondContact OD2-N 3.39Å; D343-T397 PolarHBondContact OD2-OG1 3.2Å; D343-S398 WeakPolarHBondContact OD1-CB 3.38Å; D343-S398 PolarHBondContact OD1-N 3.19Å; D343-S398 PolarHBondContact OD1-OG 3.48Å; D343-S398 PolarHBondContact OD2-N 2.85Å; D343-L401 HydrophobicContact CB-CD2 4.3Å
344Q96.6Very high94.8Very high39 Ų3932.9 Ų32.918%0.18216%0.159CC..Hα-helixtrans-64.9-38.6177.7-60.9-47.5-33.600111.9M260 D340 Y341 K347 E348M260-Q344 HydrophobicContact CE-CB 4Å; D340-Q344 WeakPolarHBondContact O-CG 3.31Å; D340-Q344 PolarHBondContact O-N 3.14Å; D340-Q344 PolarHBondContact OD1-NE2 2.96Å; Y341-Q344 PolarHBondContact O-N 3.17Å; Q344-K347 WeakPolarHBondContact O-CB 3.43Å; Q344-K347 PolarHBondContact O-N 2.73Å; Q344-E348 WeakPolarHBondContact O-CB 3.29Å; Q344-E348 WeakPolarHBondContact O-CG 3.29Å; Q344-E348 PolarHBondContact O-N 3.14Å
345L95.9Very high95Very high0 Ų034.4 Ų34.40%017%0.173CC..Hα-helixtrans-63.5-43176.5-171.375.2000111.5M260 V263 L280 L284 Y341 C342 D343 A349 M357M260-L345 HydrophobicContact CB-CD1 4.24Å; V263-L345 HydrophobicContact CB-CD1 4.45Å; V263-L345 HydrophobicContact CG1-CD1 4.03Å; V263-L345 HydrophobicContact CG1-CG 4.37Å; V263-L345 HydrophobicContact CG2-CD1 3.56Å; V263-L345 HydrophobicContact CG2-CG 4.16Å; L280-L345 HydrophobicContact CD1-CD2 4.46Å; L284-L345 HydrophobicContact CD1-CD2 3.51Å; L284-L345 HydrophobicContact CD2-CD2 3.96Å; L284-L345 HydrophobicContact CG-CD2 4.37Å; Y341-L345 HydrophobicContact CE1-CD2 4.33Å; Y341-L345 HydrophobicContact CE2-CD1 4.46Å; Y341-L345 WeakPolarHBondContact O-CB 3.43Å; Y341-L345 PolarHBondContact O-N 3.34Å; C342-L345 PolarHBondContact O-N 3.18Å; D343-L345 VanDerWaalsContact C-N 3.35Å; D343-L345 PolarHBondContact O-N 3.42Å; L345-A349 VanDerWaalsContact O-CB 3.31Å; L345-A349 WeakPolarHBondContact O-CB 3.47Å; L345-A349 PolarHBondContact O-N 2.65Å; L345-M357 HydrophobicContact CD2-SD 4.19Å
346I97.1Very high95Very high5 Ų537.5 Ų37.53%0.02619%0.191CC..Hα-helixtrans-66.2-39.6176.2-70.7166.4000110.8C342 D343 A349 A354 M357 A358 V361 A400 L401C342-I346 WeakPolarHBondContact O-CB 3.47Å; C342-I346 WeakPolarHBondContact O-CD1 3.5Å; C342-I346 VanDerWaalsContact O-CG1 3.22Å; C342-I346 WeakPolarHBondContact O-CG1 3.3Å; C342-I346 PolarHBondContact O-N 3.01Å; D343-I346 PolarHBondContact O-N 3.09Å; I346-A349 PolarHBondContact O-N 3.41Å; I346-A354 HydrophobicContact CG2-CB 4.13Å; I346-A354 VanDerWaalsContact O-CB 3.29Å; I346-A354 WeakPolarHBondContact O-CB 3.39Å; I346-M357 HydrophobicContact CD1-CB 4.29Å; I346-M357 HydrophobicContact CG1-CB 3.83Å; I346-M357 HydrophobicContact CG1-CE 4.39Å; I346-A358 HydrophobicContact CD1-CB 4.33Å; I346-A358 HydrophobicContact CG2-CB 4.29Å; I346-V361 HydrophobicContact CD1-CG2 4.3Å; I346-A400 HydrophobicContact CG2-CB 3.91Å; I346-L401 HydrophobicContact CD1-CB 4.32Å; I346-L401 HydrophobicContact CD1-CD1 4.28Å; I346-L401 HydrophobicContact CD1-CD2 4.27Å; I346-L401 HydrophobicContact CG2-CB 4.47Å
347K96.2Very high95.1Very high107 Ų10737.6 Ų37.647%0.46519%0.192SC..Hα-helixtrans-62.8-44.6178.8-170.8177.7177.8178.10113.1D343 Q344 A349D343-K347 VanDerWaalsContact O-CB 3.31Å; D343-K347 WeakPolarHBondContact O-CB 3.49Å; D343-K347 PolarHBondContact O-N 2.74Å; Q344-K347 WeakPolarHBondContact O-CB 3.43Å; Q344-K347 PolarHBondContact O-N 2.73Å; K347-A349 VanDerWaalsContact C-N 3.29Å
348E94.9Very high95.4Very high99 Ų9937 Ų3746%0.46319%0.188SC..Hα-helixtrans-80.4-11.7-178.5-66.9-62.1140.600112.9M260 S264 Q344M260-E348 HydrophobicContact CG-CB 4.19Å; M260-E348 HydrophobicContact CG-CG 4.27Å; M260-E348 HydrophobicContact SD-CG 4.23Å; S264-E348 WeakPolarHBondContact CA-O 3.36Å; S264-E348 WeakPolarHBondContact CB-O 3.21Å; Q344-E348 WeakPolarHBondContact O-CB 3.29Å; Q344-E348 WeakPolarHBondContact O-CG 3.29Å; Q344-E348 PolarHBondContact O-N 3.14Å
349A95Very high95.4Very high12 Ų1240.5 Ų40.510%0.09920%0.204CC..SBendtrans-75151.6-17700000113.4V263 L345 I346 K347 K351 A353 A354 M357V263-A349 HydrophobicContact CB-CB 3.89Å; V263-A349 HydrophobicContact CG2-CB 4.1Å; V263-A349 WeakPolarHBondContact O-CA 3.43Å; L345-A349 VanDerWaalsContact O-CB 3.31Å; L345-A349 WeakPolarHBondContact O-CB 3.47Å; L345-A349 PolarHBondContact O-N 2.65Å; I346-A349 PolarHBondContact O-N 3.41Å; K347-A349 VanDerWaalsContact C-N 3.29Å; A349-K351 PolarHBondContact O-N 3.07Å; A349-A353 HydrophobicContact CB-CB 4.34Å; A349-A354 HydrophobicContact CB-CB 4.1Å; A349-M357 HydrophobicContact CB-CE 3.35Å
350Q93Very high95.5Very high46 Ų4641.1 Ų41.122%0.21521%0.209CC..  trans-55.7138.8167-174.4174.216.400110.9V263 P266 E267 A271 L352 A353 A354V263-Q350 PolarHBondContact O-N 3.46Å; V263-Q350 VanDerWaalsContact O-N 3.09Å; P266-Q350 PolarHBondContact O-NE2 3.25Å; P266-Q350 VanDerWaalsContact O-NE2 3.11Å; E267-Q350 VanDerWaalsContact C-OE1 3.26Å; E267-Q350 PolarHBondContact O-OE1 2.91Å; A271-Q350 HydrophobicContact CB-CB 4.21Å; A271-Q350 HydrophobicContact CB-CG 4.4Å; Q350-L352 VanDerWaalsContact C-N 3.25Å; Q350-L352 PolarHBondContact O-N 3.45Å; Q350-A353 WeakPolarHBondContact O-CA 3.36Å; Q350-A353 PolarHBondContact O-N 2.91Å; Q350-A354 PolarHBondContact O-N 2.85Å
351K93.1Very high95.6Very high188 Ų18840.9 Ų40.982%0.81721%0.208SC*.Hα-helixtrans-42.8-43-173-66.2-174.3176.9-173.50115.5A349 A355A349-K351 PolarHBondContact O-N 3.07Å; K351-A355 WeakPolarHBondContact O-CB 3.38Å; K351-A355 PolarHBondContact O-N 3.44Å
352L91.6Very high95.7Very high116 Ų11642.3 Ų42.361%0.60721%0.213SC*.Hα-helixtrans-66.4-45.4178.2-68.9174000112.2Q350 V356Q350-L352 VanDerWaalsContact C-N 3.25Å; Q350-L352 PolarHBondContact O-N 3.45Å; L352-V356 WeakPolarHBondContact O-CG2 3.31Å; L352-V356 PolarHBondContact O-N 3.44Å
353A93.4Very high95.7Very high1 Ų147 Ų471%0.00823%0.234CC..Hα-helixtrans-67.4-42176.900000111.4A271 T275 A349 Q350 A355 V356 M357A271-A353 HydrophobicContact CB-CB 3.87Å; T275-A353 HydrophobicContact CG2-CB 3.98Å; A349-A353 HydrophobicContact CB-CB 4.34Å; Q350-A353 WeakPolarHBondContact O-CA 3.36Å; Q350-A353 PolarHBondContact O-N 2.91Å; A353-A355 VanDerWaalsContact C-N 3.35Å; A353-A355 PolarHBondContact O-N 3.31Å; A353-V356 PolarHBondContact O-N 2.86Å; A353-M357 HydrophobicContact CB-CE 4.23Å; A353-M357 WeakPolarHBondContact O-CB 3.11Å; A353-M357 WeakPolarHBondContact O-CG 3.36Å; A353-M357 PolarHBondContact O-N 2.98Å
354A96.1Very high95.7Very high8 Ų850.9 Ų50.97%0.06625%0.249CC..Hα-helixtrans-55.3-48.7175.700000111.6I346 A349 Q350 V356 M357 A358 A400I346-A354 HydrophobicContact CG2-CB 4.13Å; I346-A354 VanDerWaalsContact O-CB 3.29Å; I346-A354 WeakPolarHBondContact O-CB 3.39Å; A349-A354 HydrophobicContact CB-CB 4.1Å; Q350-A354 PolarHBondContact O-N 2.85Å; A354-V356 PolarHBondContact O-N 3.31Å; A354-M357 PolarHBondContact O-N 3.01Å; A354-A358 VanDerWaalsContact O-CB 3.24Å; A354-A358 WeakPolarHBondContact O-CB 3.41Å; A354-A358 PolarHBondContact O-N 3.36Å; A354-A400 HydrophobicContact CB-CB 4.2Å
355A95.4Very high95.8Very high51 Ų5149 Ų4942%0.42124%0.241SC..Hα-helixtrans-62-43.6178.500000112.7K351 A353 K359K351-A355 WeakPolarHBondContact O-CB 3.38Å; K351-A355 PolarHBondContact O-N 3.44Å; A353-A355 VanDerWaalsContact C-N 3.35Å; A353-A355 PolarHBondContact O-N 3.31Å; A355-K359 VanDerWaalsContact O-CB 3.28Å; A355-K359 WeakPolarHBondContact O-CB 3.16Å; A355-K359 PolarHBondContact O-N 3.48Å
356V95.7Very high95.9Very high65 Ų6549 Ų4939%0.39424%0.241SC..Hα-helixtrans-66.4-43.8178.7174.60000111.5T275 L352 A353 A354 K359 A360T275-V356 HydrophobicContact CG2-CB 3.76Å; T275-V356 HydrophobicContact CG2-CG1 3.83Å; T275-V356 HydrophobicContact CG2-CG2 4.25Å; L352-V356 WeakPolarHBondContact O-CG2 3.31Å; L352-V356 PolarHBondContact O-N 3.44Å; A353-V356 PolarHBondContact O-N 2.86Å; A354-V356 PolarHBondContact O-N 3.31Å; V356-K359 PolarHBondContact O-N 3.25Å; V356-A360 WeakPolarHBondContact O-CB 3.37Å; V356-A360 PolarHBondContact O-N 2.96Å
357M96Very high95.8Very high4 Ų451.8 Ų51.82%0.0226%0.258CS..Hα-helixtrans-64.8-45.1177.8-72.1-173.3-66.400111.6V263 L280 L284 L345 I346 A349 A353 A354 K359 A360 V361V263-M357 HydrophobicContact CG1-CE 4.47Å; L280-M357 HydrophobicContact CD2-SD 4.08Å; L284-M357 HydrophobicContact CD1-SD 4.24Å; L345-M357 HydrophobicContact CD2-SD 4.19Å; I346-M357 HydrophobicContact CD1-CB 4.29Å; I346-M357 HydrophobicContact CG1-CB 3.83Å; I346-M357 HydrophobicContact CG1-CE 4.39Å; A349-M357 HydrophobicContact CB-CE 3.35Å; A353-M357 HydrophobicContact CB-CE 4.23Å; A353-M357 WeakPolarHBondContact O-CB 3.11Å; A353-M357 WeakPolarHBondContact O-CG 3.36Å; A353-M357 PolarHBondContact O-N 2.98Å; A354-M357 PolarHBondContact O-N 3.01Å; M357-K359 PolarHBondContact O-N 3.49Å; M357-A360 WeakPolarHBondContact O-CB 3.38Å; M357-A360 PolarHBondContact O-N 3.46Å; M357-V361 WeakPolarHBondContact O-CG2 3.39Å; M357-V361 PolarHBondContact O-N 3.15Å
358A97.6Very high95.8Very high0 Ų050.3 Ų50.30%026%0.26CS..Hα-helixtrans-60.4-44.9176.900000111.6I346 A354 A360 V361 R362 A400 L401 E404I346-A358 HydrophobicContact CD1-CB 4.33Å; I346-A358 HydrophobicContact CG2-CB 4.29Å; A354-A358 VanDerWaalsContact O-CB 3.24Å; A354-A358 WeakPolarHBondContact O-CB 3.41Å; A354-A358 PolarHBondContact O-N 3.36Å; A358-A360 VanDerWaalsContact C-N 3.34Å; A358-A360 PolarHBondContact O-N 3.34Å; A358-V361 WeakPolarHBondContact O-CB 3.39Å; A358-V361 PolarHBondContact O-N 3.23Å; A358-V361 VanDerWaalsContact O-N 3.15Å; A358-R362 PolarHBondContact O-N 3.17Å; A358-A400 HydrophobicContact CB-CB 4.03Å; A358-L401 HydrophobicContact CB-CD1 4.49Å; A358-E404 HydrophobicContact CB-CB 4.42Å; A358-E404 HydrophobicContact CB-CG 3.7Å
359K96.6Very high95.9Very high94 Ų9446.4 Ų46.441%0.40924%0.244SC..Hα-helixtrans-62.1-39.9175.3-177.3172.4175.5172.50112.3A355 V356 M357 V361 R362 E363A355-K359 VanDerWaalsContact O-CB 3.28Å; A355-K359 WeakPolarHBondContact O-CB 3.16Å; A355-K359 PolarHBondContact O-N 3.48Å; V356-K359 PolarHBondContact O-N 3.25Å; M357-K359 PolarHBondContact O-N 3.49Å; K359-V361 VanDerWaalsContact C-N 3.32Å; K359-V361 PolarHBondContact O-N 3.16Å; K359-R362 WeakPolarHBondContact O-CB 3.49Å; K359-R362 PolarHBondContact O-N 3.42Å; K359-E363 WeakPolarHBondContact CE-OE1 3.36Å; K359-E363 HydrophobicContact CG-CG 4.47Å; K359-E363 IonicContact NZ-OE1 3.27Å; K359-E363 WeakPolarHBondContact O-CG 3.5Å; K359-E363 PolarHBondContact O-N 2.99Å
360A97Very high95.9Very high13 Ų1345.9 Ų45.911%0.10724%0.239CC..Hα-helixtrans-61.9-40174.700000111.8C281 T285 V356 M357 A358 E363 R364C281-A360 HydrophobicContact CB-CB 3.94Å; T285-A360 HydrophobicContact CG2-CB 4.28Å; V356-A360 WeakPolarHBondContact O-CB 3.37Å; V356-A360 PolarHBondContact O-N 2.96Å; M357-A360 WeakPolarHBondContact O-CB 3.38Å; M357-A360 PolarHBondContact O-N 3.46Å; A358-A360 VanDerWaalsContact C-N 3.34Å; A358-A360 PolarHBondContact O-N 3.34Å; A360-E363 PolarHBondContact O-N 2.79Å; A360-R364 WeakPolarHBondContact O-CB 3.47Å; A360-R364 PolarHBondContact O-N 3Å
361V98Very high96Very high5 Ų546.2 Ų46.23%0.0324%0.241CC..Hα-helixtrans-63.4-42.1173.3178.80000110.8T285 L288 I346 M357 A358 K359 F365 F366 L401T285-V361 HydrophobicContact CG2-CG2 3.97Å; L288-V361 HydrophobicContact CD2-CG1 4.08Å; I346-V361 HydrophobicContact CD1-CG2 4.3Å; M357-V361 WeakPolarHBondContact O-CG2 3.39Å; M357-V361 PolarHBondContact O-N 3.15Å; A358-V361 WeakPolarHBondContact O-CB 3.39Å; A358-V361 PolarHBondContact O-N 3.23Å; A358-V361 VanDerWaalsContact O-N 3.15Å; K359-V361 VanDerWaalsContact C-N 3.32Å; K359-V361 PolarHBondContact O-N 3.16Å; V361-F365 HydrophobicContact CG1-CB 4.28Å; V361-F365 HydrophobicContact CG1-CD1 4.38Å; V361-F365 WeakPolarHBondContact O-CA 3.49Å; V361-F365 VanDerWaalsContact O-CB 3.29Å; V361-F365 WeakPolarHBondContact O-CB 3.33Å; V361-F365 PolarHBondContact O-N 2.92Å; V361-F366 HydrophobicContact CG1-CD2 3.96Å; V361-F366 HydrophobicContact CG1-CE2 3.67Å; V361-F366 PolarHBondContact O-N 3.26Å; V361-L401 HydrophobicContact CB-CD1 3.99Å; V361-L401 HydrophobicContact CG1-CD1 3.85Å
362R97.3Very high96.2Very high32 Ų3240.7 Ų40.712%0.12122%0.224CC..Iπ-helixtrans-55.3-56.5173.5-170.517872-176.219.4112.1A358 K359 F366 V367 E404 F408 E412A358-R362 PolarHBondContact O-N 3.17Å; K359-R362 WeakPolarHBondContact O-CB 3.49Å; K359-R362 PolarHBondContact O-N 3.42Å; R362-F366 WeakPolarHBondContact O-CB 3.48Å; R362-F366 PolarHBondContact O-N 3.33Å; R362-V367 HydrophobicContact CG-CG2 4.31Å; R362-V367 WeakPolarHBondContact O-CG2 3.37Å; R362-V367 PolarHBondContact O-N 3.23Å; R362-E404 HydrophobicContact CB-CB 4.2Å; R362-E404 WeakPolarHBondContact CD-O 3.39Å; R362-E404 WeakPolarHBondContact CD-OE2 3.42Å; R362-E404 IonicContact CZ-OE2 3.24Å; R362-E404 IonicContact NE-OE2 2.9Å; R362-E404 PolarHBondContact NE-OE2 2.98Å; R362-E404 IonicContact NH1-OE1 3.23Å; R362-E404 IonicContact NH1-OE2 3.99Å; R362-E404 PolarHBondContact NH1-OE2 2.72Å; R362-F408 HydrophobicContact CG-CB 4.25Å; R362-E412 IonicContact CZ-OE1 3.68Å; R362-E412 VanDerWaalsContact CZ-OE1 3.23Å; R362-E412 IonicContact NH1-OE1 3Å; R362-E412 PolarHBondContact NH1-OE1 2.99Å; R362-E412 IonicContact NH2-OE1 2.69Å; R362-E412 PolarHBondContact NH2-OE1 2.97Å
363E96.5Very high96.3Very high100 Ų10038.8 Ų38.847%0.46721%0.212SC..Iπ-helixtrans-67.7-47.3-173.4-68.4175.1174.800112K359 A360 S368K359-E363 WeakPolarHBondContact CE-OE1 3.36Å; K359-E363 HydrophobicContact CG-CG 4.47Å; K359-E363 IonicContact NZ-OE1 3.27Å; K359-E363 WeakPolarHBondContact O-CG 3.5Å; K359-E363 PolarHBondContact O-N 2.99Å; A360-E363 PolarHBondContact O-N 2.79Å; E363-S368 WeakPolarHBondContact O-CB 3.25Å; E363-S368 PolarHBondContact O-N 2.94Å
364R97.5Very high96.3Very high84 Ų8438.8 Ų38.832%0.31721%0.212SC..Iπ-helixtrans-86.1-30.4-172.5-66.8-175.7174-147.57113.9E282 T285 D286 A360 S368E282-R364 IonicContact OE1-CZ 2.75Å; E282-R364 IonicContact OE1-NH1 3.59Å; E282-R364 IonicContact OE1-NH2 2.73Å; E282-R364 PolarHBondContact OE1-NH2 3.46Å; T285-R364 HydrophobicContact CG2-CB 4.21Å; T285-R364 WeakPolarHBondContact OG1-CD 3.41Å; D286-R364 IonicContact OD1-NH1 2.83Å; A360-R364 WeakPolarHBondContact O-CB 3.47Å; A360-R364 PolarHBondContact O-N 3Å; R364-S368 PolarHBondContact O-OG 3.31Å
365F97.8Very high96.2Very high0 Ų041.8 Ų41.80%023%0.225CC..Iπ-helixtrans-104.9-58.9-179.3175.9-111.3000112.1L288 V289 Y292 F335 V361 V369 M370 I392L288-F365 HydrophobicContact CD2-CB 3.99Å; L288-F365 HydrophobicContact CD2-CD1 3.78Å; L288-F365 HydrophobicContact CD2-CD2 4.18Å; L288-F365 HydrophobicContact CD2-CE1 4.31Å; L288-F365 HydrophobicContact CD2-CG 3.7Å; L288-F365 HydrophobicContact CG-CD1 4.46Å; L288-F365 HydrophobicContact CG-CD2 4.12Å; L288-F365 HydrophobicContact CG-CE2 4.41Å; L288-F365 HydrophobicContact CG-CG 4.16Å; V289-F365 HydrophobicContact CG2-CB 4.37Å; V289-F365 HydrophobicContact CG2-CD2 4.07Å; Y292-F365 HydrophobicContact CD1-CE2 4.44Å; Y292-F365 AromaticContact CD2-CE2 3.75Å; Y292-F365 HydrophobicContact CD2-CE2 3.75Å; Y292-F365 AromaticContact CD2-CZ 3.85Å; Y292-F365 HydrophobicContact CD2-CZ 3.85Å; Y292-F365 HydrophobicContact CE2-CE2 4.45Å; Y292-F365 HydrophobicContact CE2-CZ 4.35Å; Y292-F365 AromaticContact CG-CE2 3.73Å; Y292-F365 HydrophobicContact CG-CE2 3.73Å; Y292-F365 HydrophobicContact CG-CZ 4.31Å; F335-F365 HydrophobicContact CE2-CE2 4.02Å; F335-F365 AromaticContact CE2-CZ 3.73Å; F335-F365 HydrophobicContact CE2-CZ 3.73Å; F335-F365 HydrophobicContact CZ-CE1 4.31Å; F335-F365 HydrophobicContact CZ-CE2 4.37Å; F335-F365 AromaticContact CZ-CZ 3.64Å; F335-F365 HydrophobicContact CZ-CZ 3.64Å; V361-F365 HydrophobicContact CG1-CB 4.28Å; V361-F365 HydrophobicContact CG1-CD1 4.38Å; V361-F365 WeakPolarHBondContact O-CA 3.49Å; V361-F365 VanDerWaalsContact O-CB 3.29Å; V361-F365 WeakPolarHBondContact O-CB 3.33Å; V361-F365 PolarHBondContact O-N 2.92Å; F365-V369 HydrophobicContact CD2-CB 4.43Å; F365-V369 WeakPolarHBondContact O-CA 3.28Å; F365-V369 VanDerWaalsContact O-CB 3.3Å; F365-V369 WeakPolarHBondContact O-CB 3.4Å; F365-V369 PolarHBondContact O-N 3.49Å; F365-M370 HydrophobicContact CE1-CE 3.78Å; F365-M370 HydrophobicContact CZ-CE 3.99Å; F365-M370 PolarHBondContact O-N 3.03Å; F365-I392 HydrophobicContact CE1-CD1 4.22Å; F365-I392 HydrophobicContact CZ-CD1 4.31Å
366F97.5Very high96.1Very high0 Ų041.7 Ų41.70%022%0.216CC..Iπ-helixtrans-67.1-52.5-174-71-71.5000112.6V361 R362 M370 E371 L389 I392 L401 I405 F408V361-F366 HydrophobicContact CG1-CD2 3.96Å; V361-F366 HydrophobicContact CG1-CE2 3.67Å; V361-F366 PolarHBondContact O-N 3.26Å; R362-F366 WeakPolarHBondContact O-CB 3.48Å; R362-F366 PolarHBondContact O-N 3.33Å; F366-M370 HydrophobicContact CD1-CB 4.48Å; F366-M370 HydrophobicContact CD1-CE 3.63Å; F366-M370 HydrophobicContact CE1-CE 3.48Å; F366-M370 VanDerWaalsContact CE1-CE 3.48Å; F366-M370 CarbonylContact O-C 3.49Å; F366-M370 WeakPolarHBondContact O-CA 3.27Å; F366-M370 WeakPolarHBondContact O-CB 3.42Å; F366-M370 PolarHBondContact O-N 3.14Å; F366-M370 VanDerWaalsContact O-N 3.17Å; F366-E371 PolarHBondContact O-N 2.97Å; F366-L389 HydrophobicContact CE1-CD1 4.3Å; F366-I392 HydrophobicContact CE1-CG2 4Å; F366-I392 HydrophobicContact CZ-CG2 3.81Å; F366-L401 HydrophobicContact CE2-CD1 4.25Å; F366-I405 HydrophobicContact CD2-CG1 4.28Å; F366-I405 HydrophobicContact CE1-CD1 4.43Å; F366-I405 HydrophobicContact CE1-CG1 4.13Å; F366-I405 HydrophobicContact CE2-CD1 4.02Å; F366-I405 HydrophobicContact CE2-CG1 3.54Å; F366-I405 HydrophobicContact CZ-CD1 3.61Å; F366-I405 HydrophobicContact CZ-CG1 3.47Å; F366-I405 VanDerWaalsContact CZ-CG1 3.47Å; F366-F408 HydrophobicContact CB-CD1 3.87Å; F366-F408 HydrophobicContact CB-CD2 3.93Å; F366-F408 HydrophobicContact CB-CE1 4Å; F366-F408 HydrophobicContact CB-CE2 4.06Å; F366-F408 HydrophobicContact CB-CG 3.83Å; F366-F408 HydrophobicContact CB-CZ 4.09Å; F366-F408 HydrophobicContact CD1-CD1 4.01Å; F366-F408 AromaticContact CD1-CE1 4Å; F366-F408 HydrophobicContact CD1-CE1 4Å; F366-F408 HydrophobicContact CG-CD1 4.16Å; F366-F408 HydrophobicContact CG-CE1 4.4Å; F366-F408 HydrophobicContact CG-CG 4.46Å; F366-F408 WeakPolarHBondContact O-CE2 3.5Å; F366-F408 WeakPolarHBondContact O-CZ 3.41Å
367V96Very high95.9Very high63 Ų6344.7 Ų44.738%0.38224%0.235SC..Iπ-helixtrans-72.1-52-179.9174.90000111R362 V369 E371 F408R362-V367 HydrophobicContact CG-CG2 4.31Å; R362-V367 WeakPolarHBondContact O-CG2 3.37Å; R362-V367 PolarHBondContact O-N 3.23Å; V367-V369 PolarHBondContact O-N 2.86Å; V367-E371 WeakPolarHBondContact O-CB 3.49Å; V367-F408 HydrophobicContact CG2-CD2 3.97Å; V367-F408 HydrophobicContact CG2-CE2 4.3Å
368S96.6Very high95.8Very high75 Ų7547.5 Ų47.552%0.52426%0.255SS..Iπ-helixtrans-76.1-24.2-171.6100.20000115E363 R364E363-S368 WeakPolarHBondContact O-CB 3.25Å; E363-S368 PolarHBondContact O-N 2.94Å; R364-S368 PolarHBondContact O-OG 3.31Å
369V96.3Very high95.6Very high18 Ų1852.7 Ų52.711%0.10928%0.279CS..Iπ-helixtrans-119.6-49.4-174.8-177.20000112.7V289 Y292 F365 V367 P372 Q373V289-V369 HydrophobicContact CG1-CG2 3.92Å; V289-V369 HydrophobicContact CG2-CG2 3.85Å; Y292-V369 HydrophobicContact CD1-CG1 3.53Å; Y292-V369 HydrophobicContact CE1-CG1 3.65Å; Y292-V369 HydrophobicContact CG-CG1 4.44Å; F365-V369 HydrophobicContact CD2-CB 4.43Å; F365-V369 WeakPolarHBondContact O-CA 3.28Å; F365-V369 VanDerWaalsContact O-CB 3.3Å; F365-V369 WeakPolarHBondContact O-CB 3.4Å; F365-V369 PolarHBondContact O-N 3.49Å; V367-V369 PolarHBondContact O-N 2.86Å; V369-P372 WeakPolarHBondContact O-CD 3.4Å; V369-Q373 WeakPolarHBondContact O-CG 3.43Å
370M95.6Very high95.5Very high0 Ų051.7 Ų51.70%028%0.28CS..Iπ-helixtrans-77.4-40.5-174.3-166.9110.575.900112.9Y292 F365 F366 Q373 L374 L389 I392Y292-M370 HydrophobicContact CE2-SD 4.18Å; F365-M370 HydrophobicContact CE1-CE 3.78Å; F365-M370 HydrophobicContact CZ-CE 3.99Å; F365-M370 PolarHBondContact O-N 3.03Å; F366-M370 HydrophobicContact CD1-CB 4.48Å; F366-M370 HydrophobicContact CD1-CE 3.63Å; F366-M370 HydrophobicContact CE1-CE 3.48Å; F366-M370 VanDerWaalsContact CE1-CE 3.48Å; F366-M370 CarbonylContact O-C 3.49Å; F366-M370 WeakPolarHBondContact O-CA 3.27Å; F366-M370 WeakPolarHBondContact O-CB 3.42Å; F366-M370 PolarHBondContact O-N 3.14Å; F366-M370 VanDerWaalsContact O-N 3.17Å; M370-Q373 WeakPolarHBondContact O-CA 3.03Å; M370-Q373 WeakPolarHBondContact O-CB 3.28Å; M370-Q373 PolarHBondContact O-N 2.91Å; M370-L374 HydrophobicContact CG-CD1 3.76Å; M370-L374 HydrophobicContact CG-CG 4.09Å; M370-L374 PolarHBondContact O-N 3.44Å; M370-L389 HydrophobicContact CE-CB 4.47Å; M370-L389 HydrophobicContact CE-CD1 3.79Å; M370-I392 HydrophobicContact CE-CD1 3.26Å; M370-I392 HydrophobicContact SD-CD1 4.23Å
371E95.5Very high95.3Very high54 Ų5451.4 Ų51.425%0.25228%0.279SS..Hα-helixtrans-56-47.7-178-168.7-179.9151.300113F366 V367 Q373 L374 M375 F408 L427F366-E371 PolarHBondContact O-N 2.97Å; V367-E371 WeakPolarHBondContact O-CB 3.49Å; E371-Q373 PolarHBondContact O-N 3.27Å; E371-L374 PolarHBondContact O-N 3.19Å; E371-L374 VanDerWaalsContact O-N 3.11Å; E371-M375 HydrophobicContact CG-CG 4.27Å; E371-M375 WeakPolarHBondContact O-CB 3.32Å; E371-M375 VanDerWaalsContact O-CG 3.28Å; E371-M375 WeakPolarHBondContact O-CG 3.35Å; E371-M375 PolarHBondContact O-N 3Å; E371-F408 HydrophobicContact CB-CE2 3.86Å; E371-F408 HydrophobicContact CB-CZ 4.04Å; E371-F408 HydrophobicContact CG-CE2 4.24Å; E371-L427 HydrophobicContact CG-CD2 4.31Å
372P95.5Very high95.2Very high72 Ų7251.3 Ų51.347%0.46828%0.278SS..Hα-helixtrans-60.3-30.4175.1-23.535000113.5V369 Q376V369-P372 WeakPolarHBondContact O-CD 3.4Å; P372-Q376 PolarHBondContact O-N 3.17Å
373Q94.8Very high95Very high76 Ų7650.6 Ų50.636%0.35528%0.277SS..Hα-helixtrans-75.8-31.4177.7-58.9-60.5-54.700112Y292 V369 M370 E371 Q376 S385Y292-Q373 HydrophobicContact CE1-CG 4.42Å; V369-Q373 WeakPolarHBondContact O-CG 3.43Å; M370-Q373 WeakPolarHBondContact O-CA 3.03Å; M370-Q373 WeakPolarHBondContact O-CB 3.28Å; M370-Q373 PolarHBondContact O-N 2.91Å; E371-Q373 PolarHBondContact O-N 3.27Å; Q373-Q376 VanDerWaalsContact O-CD 3.23Å; Q373-Q376 WeakPolarHBondContact O-CG 3.39Å; Q373-Q376 PolarHBondContact O-NE2 3.39Å; Q373-S385 PolarHBondContact O-OG 3.35Å
374L93.9Very high95Very high1 Ų146.3 Ų46.31%0.00526%0.257CS..Hα-helixtrans-78.1-29.2175.7-66.6166000112.2M370 E371 Q376 L389 F408 L427M370-L374 HydrophobicContact CG-CD1 3.76Å; M370-L374 HydrophobicContact CG-CG 4.09Å; M370-L374 PolarHBondContact O-N 3.44Å; E371-L374 PolarHBondContact O-N 3.19Å; E371-L374 VanDerWaalsContact O-N 3.11Å; L374-Q376 VanDerWaalsContact C-N 3.33Å; L374-L389 HydrophobicContact CD1-CD2 3.91Å; L374-L389 HydrophobicContact CD2-CD2 4.15Å; L374-F408 HydrophobicContact CD1-CE1 4.16Å; L374-F408 HydrophobicContact CD1-CZ 4.13Å; L374-L427 HydrophobicContact CB-CD1 3.69Å; L374-L427 HydrophobicContact CD1-CD1 4.02Å; L374-L427 HydrophobicContact CD1-CD2 4.25Å
375M93.4Very high94.9Very high70 Ų7042.4 Ų42.435%0.34524%0.243SC..SBendtrans-86.51.9-179.9-65.4-63.1-70.100114E371 P426 L427 R430E371-M375 HydrophobicContact CG-CG 4.27Å; E371-M375 WeakPolarHBondContact O-CB 3.32Å; E371-M375 VanDerWaalsContact O-CG 3.28Å; E371-M375 WeakPolarHBondContact O-CG 3.35Å; E371-M375 PolarHBondContact O-N 3Å; M375-P426 HydrophobicContact CE-CB 4.27Å; M375-L427 HydrophobicContact CG-CD1 4.29Å; M375-L427 HydrophobicContact SD-CB 4.44Å; M375-L427 HydrophobicContact SD-CD1 3.94Å; M375-R430 HydrophobicContact CE-CB 4.08Å; M375-R430 HydrophobicContact CE-CG 4.25Å; M375-R430 HydrophobicContact SD-CB 3.59Å; M375-R430 VanDerWaalsContact SD-CB 3.59Å; M375-R430 HydrophobicContact SD-CG 3.75Å
376Q92.6Very high94.7Very high50 Ų5042.5 Ų42.523%0.23424%0.243CC..  trans-73.6164.3-18076.3-169.7-39.700112.4P372 Q373 L374 G381 I382P372-Q376 PolarHBondContact O-N 3.17Å; Q373-Q376 VanDerWaalsContact O-CD 3.23Å; Q373-Q376 WeakPolarHBondContact O-CG 3.39Å; Q373-Q376 PolarHBondContact O-NE2 3.39Å; L374-Q376 VanDerWaalsContact C-N 3.33Å; Q376-G381 PolarHBondContact NE2-O 3.47Å; Q376-I382 HydrophobicContact CG-CG1 4.25Å; Q376-I382 WeakPolarHBondContact O-CD1 3.37Å; Q376-I382 WeakPolarHBondContact O-CG1 3.47Å
377T91.9Very high94.7Very high128 Ų12842.5 Ų42.579%0.78524%0.243SC*.  trans-102.3-5.6-177.158.50000114
378S94.5Very high94.7Very high63 Ų6339.7 Ų39.744%0.44123%0.226SC..  trans-75.9124177.8178.70000110.1V380 G381 I382S378-V380 PolarHBondContact O-N 2.9Å; S378-G381 PolarHBondContact O-N 2.99Å; S378-G381 VanDerWaalsContact O-N 3.12Å; S378-I382 VanDerWaalsContact O-CG1 3.3Å; S378-I382 WeakPolarHBondContact O-CG1 3.42Å; S378-I382 PolarHBondContact O-N 3.44Å
379E93.8Very high94.6Very high108 Ų10836.1 Ų36.151%0.50520%0.201SC..Hα-helixtrans-56.8-48.4179.4-65.9-172.9161.800112.5G381 I382 L383 I442E379-G381 VanDerWaalsContact C-N 3.28Å; E379-G381 PolarHBondContact O-N 2.81Å; E379-I382 PolarHBondContact O-N 3.36Å; E379-L383 WeakPolarHBondContact O-CG 3.27Å; E379-L383 PolarHBondContact O-N 2.98Å; E379-I442 HydrophobicContact CB-CD1 3.96Å; E379-I442 HydrophobicContact CG-CD1 3.93Å
380V93.8Very high94.5Very high73 Ų7335.7 Ų35.744%0.44220%0.198SC..Hα-helixtrans-58.6-43.3176.9177.40000110.8S298 S378 L383 T384S298-V380 WeakPolarHBondContact OG-CG1 3.48Å; S378-V380 PolarHBondContact O-N 2.9Å; V380-L383 PolarHBondContact O-N 2.99Å; V380-T384 WeakPolarHBondContact O-CB 3.21Å; V380-T384 PolarHBondContact O-N 3.13Å; V380-T384 PolarHBondContact O-OG1 3.43Å
381G93.4Very high94.5Very high7 Ų736.6 Ų36.67%0.07220%0.202CC..Hα-helixtrans-65.4-43177.800000113.1Q376 S378 E379 L383 T384 S385Q376-G381 PolarHBondContact NE2-O 3.47Å; S378-G381 PolarHBondContact O-N 2.99Å; S378-G381 VanDerWaalsContact O-N 3.12Å; E379-G381 VanDerWaalsContact C-N 3.28Å; E379-G381 PolarHBondContact O-N 2.81Å; G381-L383 VanDerWaalsContact C-N 3.35Å; G381-T384 PolarHBondContact O-N 2.87Å; G381-S385 VanDerWaalsContact O-CB 3.29Å; G381-S385 WeakPolarHBondContact O-CB 3.49Å; G381-S385 PolarHBondContact O-N 3.17Å; G381-S385 PolarHBondContact O-OG 3.08Å
382I94.3Very high94.5Very high3 Ų334 Ų342%0.01519%0.19CC..Hα-helixtrans-60.1-47.1175.4-67.2164.1000109.6Q376 S378 E379 S385 T386 I442Q376-I382 HydrophobicContact CG-CG1 4.25Å; Q376-I382 WeakPolarHBondContact O-CD1 3.37Å; Q376-I382 WeakPolarHBondContact O-CG1 3.47Å; S378-I382 VanDerWaalsContact O-CG1 3.3Å; S378-I382 WeakPolarHBondContact O-CG1 3.42Å; S378-I382 PolarHBondContact O-N 3.44Å; E379-I382 PolarHBondContact O-N 3.36Å; I382-S385 PolarHBondContact O-OG 2.85Å; I382-S385 VanDerWaalsContact O-OG 3.11Å; I382-T386 WeakPolarHBondContact O-CB 3.47Å; I382-T386 PolarHBondContact O-N 3.32Å; I382-T386 PolarHBondContact O-OG1 2.77Å; I382-I442 HydrophobicContact CB-CD1 4.36Å; I382-I442 HydrophobicContact CD1-CD1 4.31Å; I382-I442 HydrophobicContact CG2-CD1 4.26Å; I382-I442 HydrophobicContact CG2-CG1 4.25Å; I382-I442 HydrophobicContact CG2-CG2 3.82Å
383L94.8Very high94.4Very high18 Ų1830.6 Ų30.69%0.09417%0.168CC..Hα-helixtrans-60.9-51.3178.7-73.7170.4000112.1P301 E379 V380 G381 T386 A387 E441 I442 M445P301-L383 HydrophobicContact CG-CB 4.14Å; E379-L383 WeakPolarHBondContact O-CG 3.27Å; E379-L383 PolarHBondContact O-N 2.98Å; V380-L383 PolarHBondContact O-N 2.99Å; G381-L383 VanDerWaalsContact C-N 3.35Å; L383-T386 PolarHBondContact O-N 2.95Å; L383-A387 WeakPolarHBondContact O-CB 3.44Å; L383-A387 PolarHBondContact O-N 3.28Å; L383-E441 HydrophobicContact CD1-CB 4.26Å; L383-E441 HydrophobicContact CD2-CB 3.91Å; L383-I442 HydrophobicContact CD2-CG1 3.83Å; L383-I442 HydrophobicContact CG-CG1 3.88Å; L383-M445 HydrophobicContact CD2-CB 4.11Å; L383-M445 HydrophobicContact CD2-CG 4.49Å
384T94.9Very high94.3Very high9 Ų934 Ų346%0.05518%0.177CC..Hα-helixtrans-62.2-47.1179.9-63.30000111.7M299 I304 V380 G381 A387 L388M299-T384 HydrophobicContact CB-CG2 4.06Å; M299-T384 HydrophobicContact CG-CG2 4.47Å; M299-T384 PolarHBondContact N-OG1 3.09Å; M299-T384 VanDerWaalsContact N-OG1 3.13Å; M299-T384 PolarHBondContact O-OG1 2.9Å; I304-T384 HydrophobicContact CD1-CG2 4.34Å; V380-T384 WeakPolarHBondContact O-CB 3.21Å; V380-T384 PolarHBondContact O-N 3.13Å; V380-T384 PolarHBondContact O-OG1 3.43Å; G381-T384 PolarHBondContact O-N 2.87Å; T384-A387 PolarHBondContact O-N 3.02Å; T384-L388 HydrophobicContact CG2-CD1 4.07Å; T384-L388 WeakPolarHBondContact O-CB 3.48Å; T384-L388 VanDerWaalsContact O-CG 3.3Å; T384-L388 WeakPolarHBondContact O-CG 3.44Å; T384-L388 PolarHBondContact O-N 2.55Å
385S95.5Very high94.2Very high3 Ų335.2 Ų35.22%0.02118%0.183CC..Hα-helixtrans-66.2-40.2-179.4580000112.6Q373 G381 I382 L388 L389Q373-S385 PolarHBondContact O-OG 3.35Å; G381-S385 VanDerWaalsContact O-CB 3.29Å; G381-S385 WeakPolarHBondContact O-CB 3.49Å; G381-S385 PolarHBondContact O-N 3.17Å; G381-S385 PolarHBondContact O-OG 3.08Å; I382-S385 PolarHBondContact O-OG 2.85Å; I382-S385 VanDerWaalsContact O-OG 3.11Å; S385-L388 PolarHBondContact O-N 3.38Å; S385-L389 WeakPolarHBondContact O-CB 3.32Å; S385-L389 PolarHBondContact O-N 3.12Å
386T95.3Very high94.3Very high1 Ų132 Ų321%0.00617%0.167CC..Hα-helixtrans-68.4-39.4176.7-51.60000111.3I382 L383 L389 N390 M445 L449I382-T386 WeakPolarHBondContact O-CB 3.47Å; I382-T386 PolarHBondContact O-N 3.32Å; I382-T386 PolarHBondContact O-OG1 2.77Å; L383-T386 PolarHBondContact O-N 2.95Å; T386-L389 PolarHBondContact O-N 3.42Å; T386-N390 WeakPolarHBondContact O-CB 3.46Å; T386-N390 PolarHBondContact O-N 3.38Å; T386-N390 PolarHBondContact O-ND2 3.4Å; T386-M445 HydrophobicContact CG2-CG 3.73Å; T386-L449 HydrophobicContact CG2-CB 4.33Å; T386-L449 HydrophobicContact CG2-CD2 4.26Å
387A95.5Very high94.3Very high0 Ų033 Ų330%018%0.177CC..Hα-helixtrans-64.7-41.6174.800000112.5P301 I304 L383 T384 N390 R391 M445P301-A387 HydrophobicContact CB-CB 3.82Å; P301-A387 HydrophobicContact CG-CB 4.3Å; I304-A387 HydrophobicContact CD1-CB 3.81Å; L383-A387 WeakPolarHBondContact O-CB 3.44Å; L383-A387 PolarHBondContact O-N 3.28Å; T384-A387 PolarHBondContact O-N 3.02Å; A387-N390 WeakPolarHBondContact O-CB 3.39Å; A387-N390 PolarHBondContact O-N 2.85Å; A387-R391 PolarHBondContact O-N 3.26Å; A387-M445 HydrophobicContact CB-CE 4.33Å; A387-M445 HydrophobicContact CB-SD 3.98Å
388L96.1Very high94.5Very high4 Ų427 Ų272%0.02114%0.14CC..Hα-helixtrans-63-44.5173.6-73.2170.7000111.5Y292 L295 I304 L332 T384 S385 R391 I392Y292-L388 HydrophobicContact CE2-CD1 3.96Å; L295-L388 HydrophobicContact CD1-CD1 4.02Å; L295-L388 HydrophobicContact CD1-CD2 4.21Å; I304-L388 HydrophobicContact CD1-CD2 4.04Å; I304-L388 HydrophobicContact CD1-CG 3.96Å; I304-L388 HydrophobicContact CG1-CD2 4.28Å; I304-L388 HydrophobicContact CG2-CD2 4.06Å; L332-L388 HydrophobicContact CD1-CD2 3.77Å; T384-L388 HydrophobicContact CG2-CD1 4.07Å; T384-L388 WeakPolarHBondContact O-CB 3.48Å; T384-L388 VanDerWaalsContact O-CG 3.3Å; T384-L388 WeakPolarHBondContact O-CG 3.44Å; T384-L388 PolarHBondContact O-N 2.55Å; S385-L388 PolarHBondContact O-N 3.38Å; L388-R391 WeakPolarHBondContact O-CB 3.33Å; L388-R391 PolarHBondContact O-N 2.96Å; L388-I392 WeakPolarHBondContact O-CD1 3.44Å; L388-I392 VanDerWaalsContact O-CG1 3.22Å; L388-I392 WeakPolarHBondContact O-CG1 3.34Å; L388-I392 PolarHBondContact O-N 2.95Å
389L96.3Very high94.6Very high0 Ų032.1 Ų32.10%016%0.157CC..Hα-helixtrans-61.9-44176.4-18066.1000111.7F366 M370 L374 S385 T386 R391 I392 I393 L409 L449F366-L389 HydrophobicContact CE1-CD1 4.3Å; M370-L389 HydrophobicContact CE-CB 4.47Å; M370-L389 HydrophobicContact CE-CD1 3.79Å; L374-L389 HydrophobicContact CD1-CD2 3.91Å; L374-L389 HydrophobicContact CD2-CD2 4.15Å; S385-L389 WeakPolarHBondContact O-CB 3.32Å; S385-L389 PolarHBondContact O-N 3.12Å; T386-L389 PolarHBondContact O-N 3.42Å; L389-R391 VanDerWaalsContact C-N 3.28Å; L389-R391 PolarHBondContact O-N 3.03Å; L389-I392 PolarHBondContact O-N 3.48Å; L389-I393 HydrophobicContact CD1-CD1 4.09Å; L389-I393 HydrophobicContact CD1-CG1 4.39Å; L389-I393 HydrophobicContact CD2-CD1 4.48Å; L389-I393 HydrophobicContact CG-CD1 3.86Å; L389-I393 WeakPolarHBondContact O-CG1 3.46Å; L389-I393 PolarHBondContact O-N 3.11Å; L389-L409 HydrophobicContact CD2-CD1 4.34Å; L389-L409 HydrophobicContact CD2-CD2 3.66Å; L389-L449 HydrophobicContact CB-CD1 4.37Å; L389-L449 HydrophobicContact CD2-CD1 3.69Å; L389-L449 HydrophobicContact CD2-CD2 3.75Å; L389-L449 HydrophobicContact CD2-CG 4.38Å; L389-L449 HydrophobicContact CG-CD1 3.75Å
390N94Very high94.7Very high9 Ų928 Ų285%0.04814%0.142CC..Hα-helixtrans-51.7-49.5171.5-101.2-47.2000111.4T386 A387 I392 I393 R394 M445 R448 L449T386-N390 WeakPolarHBondContact O-CB 3.46Å; T386-N390 PolarHBondContact O-N 3.38Å; T386-N390 PolarHBondContact O-ND2 3.4Å; A387-N390 WeakPolarHBondContact O-CB 3.39Å; A387-N390 PolarHBondContact O-N 2.85Å; N390-I392 PolarHBondContact O-N 2.8Å; N390-I393 PolarHBondContact O-N 2.92Å; N390-R394 WeakPolarHBondContact O-CB 3.42Å; N390-R394 PolarHBondContact O-N 3Å; N390-M445 PolarHBondContact ND2-O 3.23Å; N390-M445 VanDerWaalsContact ND2-O 3.14Å; N390-M445 PolarHBondContact ND2-SD 2.74Å; N390-M445 VanDerWaalsContact ND2-SD 3.41Å; N390-R448 PolarHBondContact OD1-O 2.91Å; N390-L449 WeakPolarHBondContact OD1-CA 3.24Å; N390-L449 PolarHBondContact OD1-N 3.17Å
391R94.4Very high94.9Very high19 Ų1924.6 Ų24.67%0.07212%0.121CC..Hα-helixtrans-63.3-42.4179.5-178.260-171.8-149.3-3112.2I304 E305 V307 E308 L336 A387 L388 L389 R394 Q395I304-R391 HydrophobicContact CG2-CB 3.93Å; I304-R391 HydrophobicContact CG2-CG 4.29Å; E305-R391 PolarHBondContact O-NH1 3.46Å; V307-R391 VanDerWaalsContact O-CZ 3.23Å; V307-R391 PolarHBondContact O-NH1 3.1Å; V307-R391 PolarHBondContact O-NH2 3.42Å; E308-R391 PolarHBondContact O-NH2 3.19Å; L336-R391 HydrophobicContact CD1-CG 4.15Å; L336-R391 HydrophobicContact CD2-CG 3.83Å; A387-R391 PolarHBondContact O-N 3.26Å; L388-R391 WeakPolarHBondContact O-CB 3.33Å; L388-R391 PolarHBondContact O-N 2.96Å; L389-R391 VanDerWaalsContact C-N 3.28Å; L389-R391 PolarHBondContact O-N 3.03Å; R391-R394 PolarHBondContact O-N 2.95Å; R391-Q395 WeakPolarHBondContact O-CB 2.79Å; R391-Q395 PolarHBondContact O-N 3.04Å; R391-Q395 VanDerWaalsContact O-N 3.08Å
392I95.8Very high95Very high0 Ų024.9 Ų24.90%012%0.121CC..Hα-helixtrans-61-51.7177.6-70.6159.8000110.6F335 L339 F365 F366 M370 L388 L389 N390 R394 Q395 V396 I405F335-I392 HydrophobicContact CE1-CD1 4.01Å; F335-I392 HydrophobicContact CE1-CG1 4.09Å; F335-I392 HydrophobicContact CZ-CD1 3.83Å; F335-I392 HydrophobicContact CZ-CG1 4.22Å; L339-I392 HydrophobicContact CD1-CG2 4.44Å; L339-I392 HydrophobicContact CD2-CB 4.15Å; L339-I392 HydrophobicContact CD2-CG1 3.69Å; L339-I392 HydrophobicContact CD2-CG2 4.07Å; F365-I392 HydrophobicContact CE1-CD1 4.22Å; F365-I392 HydrophobicContact CZ-CD1 4.31Å; F366-I392 HydrophobicContact CE1-CG2 4Å; F366-I392 HydrophobicContact CZ-CG2 3.81Å; M370-I392 HydrophobicContact CE-CD1 3.26Å; M370-I392 HydrophobicContact SD-CD1 4.23Å; L388-I392 WeakPolarHBondContact O-CD1 3.44Å; L388-I392 VanDerWaalsContact O-CG1 3.22Å; L388-I392 WeakPolarHBondContact O-CG1 3.34Å; L388-I392 PolarHBondContact O-N 2.95Å; L389-I392 PolarHBondContact O-N 3.48Å; N390-I392 PolarHBondContact O-N 2.8Å; I392-R394 VanDerWaalsContact C-N 3.32Å; I392-R394 PolarHBondContact O-N 3.4Å; I392-Q395 PolarHBondContact O-N 3.21Å; I392-Q395 VanDerWaalsContact O-N 3.16Å; I392-V396 HydrophobicContact CG2-CG2 4.33Å; I392-V396 WeakPolarHBondContact O-CG2 3.46Å; I392-V396 PolarHBondContact O-N 3.4Å; I392-I405 HydrophobicContact CG2-CD1 4.29Å
393I94.6Very high95.1Very high1 Ų128.3 Ų28.31%0.00514%0.137CC..Hα-helixtrans-58.1-47.9179.1-70.4157.4000110L389 N390 Q395 V396 I405 L409 L449 Q452 L453 K456L389-I393 HydrophobicContact CD1-CD1 4.09Å; L389-I393 HydrophobicContact CD1-CG1 4.39Å; L389-I393 HydrophobicContact CD2-CD1 4.48Å; L389-I393 HydrophobicContact CG-CD1 3.86Å; L389-I393 WeakPolarHBondContact O-CG1 3.46Å; L389-I393 PolarHBondContact O-N 3.11Å; N390-I393 PolarHBondContact O-N 2.92Å; I393-Q395 VanDerWaalsContact C-N 3.25Å; I393-Q395 PolarHBondContact O-N 3.4Å; I393-V396 PolarHBondContact O-N 2.93Å; I393-I405 HydrophobicContact CG1-CG2 3.92Å; I393-L409 HydrophobicContact CD1-CD1 3.82Å; I393-L449 HydrophobicContact CD1-CD1 3.3Å; I393-L449 HydrophobicContact CD1-CG 4.46Å; I393-Q452 HydrophobicContact CG2-CB 4.33Å; I393-L453 HydrophobicContact CD1-CD2 3.79Å; I393-L453 HydrophobicContact CD1-CG 4.1Å; I393-L453 HydrophobicContact CG1-CD2 4.24Å; I393-L453 HydrophobicContact CG2-CD2 4.04Å; I393-K456 HydrophobicContact CG2-CG 4.25Å; I393-K456 WeakPolarHBondContact O-CE 3.34Å; I393-K456 PolarHBondContact O-NZ 3.25Å
394R92Very high95.2Very high147 Ų14728.6 Ų28.656%0.55514%0.137SC*.Hα-helixtrans-56.2-42179.5-174.5175.4171.3-139.7-2.7111.8N390 R391 I392 K456N390-R394 WeakPolarHBondContact O-CB 3.42Å; N390-R394 PolarHBondContact O-N 3Å; R391-R394 PolarHBondContact O-N 2.95Å; I392-R394 VanDerWaalsContact C-N 3.32Å; I392-R394 PolarHBondContact O-N 3.4Å; R394-K456 PolarHBondContact O-NZ 3.35Å; R394-K456 VanDerWaalsContact O-NZ 3.12Å
395Q92.2Very high95.2Very high26 Ų2628.1 Ų28.112%0.12114%0.135CC..Hα-helixtrans-76.4-33.3-176.1-172.4169.3-13.600114.4V310 L336 R391 I392 I393 T397V310-Q395 PolarHBondContact O-NE2 3.27Å; L336-Q395 PolarHBondContact O-NE2 3.17Å; R391-Q395 WeakPolarHBondContact O-CB 2.79Å; R391-Q395 PolarHBondContact O-N 3.04Å; R391-Q395 VanDerWaalsContact O-N 3.08Å; I392-Q395 PolarHBondContact O-N 3.21Å; I392-Q395 VanDerWaalsContact O-N 3.16Å; I393-Q395 VanDerWaalsContact C-N 3.25Å; I393-Q395 PolarHBondContact O-N 3.4Å; Q395-T397 WeakPolarHBondContact O-CG2 3.43Å; Q395-T397 PolarHBondContact O-N 2.9Å
396V94.6Very high95.1Very high2 Ų228 Ų281%0.01213%0.134CC..  trans-64.5128-176.8165.50000111.7D343 I392 I393 L401 L402 I405 K456D343-V396 WeakPolarHBondContact OD1-CG1 3.41Å; I392-V396 HydrophobicContact CG2-CG2 4.33Å; I392-V396 WeakPolarHBondContact O-CG2 3.46Å; I392-V396 PolarHBondContact O-N 3.4Å; I393-V396 PolarHBondContact O-N 2.93Å; V396-L401 HydrophobicContact CG1-CB 4.08Å; V396-L401 HydrophobicContact CG1-CD2 4.13Å; V396-L401 HydrophobicContact CG1-CG 4.07Å; V396-L401 HydrophobicContact CG2-CD2 3.8Å; V396-L401 HydrophobicContact CG2-CG 4.32Å; V396-L402 HydrophobicContact CG1-CB 4.17Å; V396-I405 HydrophobicContact CB-CD1 4.27Å; V396-I405 HydrophobicContact CG1-CD1 4.18Å; V396-I405 HydrophobicContact CG2-CD1 3.82Å; V396-K456 PolarHBondContact O-NZ 3.47Å
397T93.6Very high95.1Very high73 Ų7330 Ų3045%0.44814%0.142SC..  trans-119.6-17.7-179.469.40000113.7D343 Q395D343-T397 PolarHBondContact OD1-N 3.17Å; D343-T397 WeakPolarHBondContact OD2-CA 3.39Å; D343-T397 WeakPolarHBondContact OD2-CB 3.4Å; D343-T397 PolarHBondContact OD2-N 3.39Å; D343-T397 PolarHBondContact OD2-OG1 3.2Å; Q395-T397 WeakPolarHBondContact O-CG2 3.43Å; Q395-T397 PolarHBondContact O-N 2.9Å
398S96.1Very high95Very high1 Ų130.6 Ų30.61%0.00714%0.144CC..  trans-75.5132.9177.868.10000111.7D343 A400 L401 L402D343-S398 WeakPolarHBondContact OD1-CB 3.38Å; D343-S398 PolarHBondContact OD1-N 3.19Å; D343-S398 PolarHBondContact OD1-OG 3.48Å; D343-S398 PolarHBondContact OD2-N 2.85Å; S398-A400 VanDerWaalsContact C-N 3.35Å; S398-A400 PolarHBondContact O-N 3.26Å; S398-L401 PolarHBondContact O-N 2.93Å; S398-L401 WeakPolarHBondContact OG-CB 3.46Å; S398-L402 VanDerWaalsContact O-CB 3.28Å; S398-L402 WeakPolarHBondContact O-CB 3.31Å; S398-L402 PolarHBondContact O-N 3.26Å
399E95.4Very high94.8Very high170 Ų17030.4 Ų30.479%0.79414%0.143SC*.Hα-helixtrans-62-42.3-178.8-65.9-179.1174.900111.7L402 Q403E399-L402 PolarHBondContact O-N 3.46Å; E399-Q403 WeakPolarHBondContact O-CB 3.45Å; E399-Q403 PolarHBondContact O-N 3.44Å
400A96.5Very high94.4Very high23 Ų2330.5 Ų30.519%0.1914%0.144CC..Hα-helixtrans-65.1-43.5-179.100000112.3I346 A354 A358 S398 E404I346-A400 HydrophobicContact CG2-CB 3.91Å; A354-A400 HydrophobicContact CB-CB 4.2Å; A358-A400 HydrophobicContact CB-CB 4.03Å; S398-A400 VanDerWaalsContact C-N 3.35Å; S398-A400 PolarHBondContact O-N 3.26Å; A400-E404 WeakPolarHBondContact O-CG 3.32Å; A400-E404 PolarHBondContact O-N 3.06Å
401L97.3Very high94.1Very high1 Ų130.5 Ų30.51%0.00515%0.146CC..Hα-helixtrans-70.7-39.1177.8-173.357.6000111.6D343 I346 A358 V361 F366 V396 S398 Q403 E404 I405D343-L401 HydrophobicContact CB-CD2 4.3Å; I346-L401 HydrophobicContact CD1-CB 4.32Å; I346-L401 HydrophobicContact CD1-CD1 4.28Å; I346-L401 HydrophobicContact CD1-CD2 4.27Å; I346-L401 HydrophobicContact CG2-CB 4.47Å; A358-L401 HydrophobicContact CB-CD1 4.49Å; V361-L401 HydrophobicContact CB-CD1 3.99Å; V361-L401 HydrophobicContact CG1-CD1 3.85Å; F366-L401 HydrophobicContact CE2-CD1 4.25Å; V396-L401 HydrophobicContact CG1-CB 4.08Å; V396-L401 HydrophobicContact CG1-CD2 4.13Å; V396-L401 HydrophobicContact CG1-CG 4.07Å; V396-L401 HydrophobicContact CG2-CD2 3.8Å; V396-L401 HydrophobicContact CG2-CG 4.32Å; S398-L401 PolarHBondContact O-N 2.93Å; S398-L401 WeakPolarHBondContact OG-CB 3.46Å; L401-Q403 VanDerWaalsContact C-N 3.34Å; L401-Q403 PolarHBondContact O-N 3.42Å; L401-E404 PolarHBondContact O-N 2.87Å; L401-I405 HydrophobicContact CG-CD1 4.11Å; L401-I405 VanDerWaalsContact O-CG1 3.32Å; L401-I405 WeakPolarHBondContact O-CG1 3.38Å; L401-I405 PolarHBondContact O-N 2.75Å
402L96.5Very high93.6Very high12 Ų1234.5 Ų34.56%0.06317%0.165CC..Hα-helixtrans-58-47.3175175.863000111.1V396 S398 E399 E404 I405 V406 K456 D458V396-L402 HydrophobicContact CG1-CB 4.17Å; S398-L402 VanDerWaalsContact O-CB 3.28Å; S398-L402 WeakPolarHBondContact O-CB 3.31Å; S398-L402 PolarHBondContact O-N 3.26Å; E399-L402 PolarHBondContact O-N 3.46Å; L402-E404 VanDerWaalsContact C-N 3.31Å; L402-E404 PolarHBondContact O-N 3.45Å; L402-I405 PolarHBondContact O-N 3.45Å; L402-V406 HydrophobicContact CD1-CG2 4.22Å; L402-V406 HydrophobicContact CG-CG2 4.47Å; L402-V406 WeakPolarHBondContact O-CB 3.28Å; L402-V406 VanDerWaalsContact O-CG2 3.29Å; L402-V406 WeakPolarHBondContact O-CG2 3.47Å; L402-V406 PolarHBondContact O-N 3.34Å; L402-K456 HydrophobicContact CD1-CB 3.93Å; L402-K456 HydrophobicContact CD1-CD 4.08Å; L402-K456 HydrophobicContact CD1-CG 3.8Å; L402-K456 HydrophobicContact CD2-CB 3.96Å; L402-K456 HydrophobicContact CD2-CD 4.34Å; L402-K456 HydrophobicContact CD2-CG 4.45Å; L402-D458 HydrophobicContact CD2-CB 4.35Å
403Q95.4Very high92.8Very high76 Ų7637.7 Ų37.736%0.35518%0.182SC..Hα-helixtrans-57.6-44.6177.5-176.61804.900111.5E399 L401 V406 Y407E399-Q403 WeakPolarHBondContact O-CB 3.45Å; E399-Q403 PolarHBondContact O-N 3.44Å; L401-Q403 VanDerWaalsContact C-N 3.34Å; L401-Q403 PolarHBondContact O-N 3.42Å; Q403-V406 WeakPolarHBondContact O-CB 3.48Å; Q403-V406 PolarHBondContact O-N 2.97Å; Q403-Y407 HydrophobicContact CG-CD2 4.08Å; Q403-Y407 HydrophobicContact CG-CE1 4.39Å; Q403-Y407 HydrophobicContact CG-CE2 3.57Å; Q403-Y407 PolarHBondContact NE2-OH 3.2Å; Q403-Y407 PolarHBondContact O-N 3.31Å
404E96.5Very high91.7Very high23 Ų2343.8 Ų43.811%0.10721%0.209CC..Hα-helixtrans-67.1-35.1178.5-69.3-64137.100113A358 R362 A400 L401 L402 F408A358-E404 HydrophobicContact CB-CB 4.42Å; A358-E404 HydrophobicContact CB-CG 3.7Å; R362-E404 HydrophobicContact CB-CB 4.2Å; R362-E404 WeakPolarHBondContact CD-O 3.39Å; R362-E404 WeakPolarHBondContact CD-OE2 3.42Å; R362-E404 IonicContact CZ-OE2 3.24Å; R362-E404 IonicContact NE-OE2 2.9Å; R362-E404 PolarHBondContact NE-OE2 2.98Å; R362-E404 IonicContact NH1-OE1 3.23Å; R362-E404 IonicContact NH1-OE2 3.99Å; R362-E404 PolarHBondContact NH1-OE2 2.72Å; A400-E404 WeakPolarHBondContact O-CG 3.32Å; A400-E404 PolarHBondContact O-N 3.06Å; L401-E404 PolarHBondContact O-N 2.87Å; L402-E404 VanDerWaalsContact C-N 3.31Å; L402-E404 PolarHBondContact O-N 3.45Å; E404-F408 WeakPolarHBondContact O-CB 3.39Å; E404-F408 PolarHBondContact O-N 2.94Å
405I95.9Very high90.6Very high0 Ų044.3 Ų44.30%022%0.217CC..Hα-helixtrans-66.3-41.5171.6-69.2168.9000110.8F366 I392 I393 V396 L401 L402 F408 L409F366-I405 HydrophobicContact CD2-CG1 4.28Å; F366-I405 HydrophobicContact CE1-CD1 4.43Å; F366-I405 HydrophobicContact CE1-CG1 4.13Å; F366-I405 HydrophobicContact CE2-CD1 4.02Å; F366-I405 HydrophobicContact CE2-CG1 3.54Å; F366-I405 HydrophobicContact CZ-CD1 3.61Å; F366-I405 HydrophobicContact CZ-CG1 3.47Å; F366-I405 VanDerWaalsContact CZ-CG1 3.47Å; I392-I405 HydrophobicContact CG2-CD1 4.29Å; I393-I405 HydrophobicContact CG1-CG2 3.92Å; V396-I405 HydrophobicContact CB-CD1 4.27Å; V396-I405 HydrophobicContact CG1-CD1 4.18Å; V396-I405 HydrophobicContact CG2-CD1 3.82Å; L401-I405 HydrophobicContact CG-CD1 4.11Å; L401-I405 VanDerWaalsContact O-CG1 3.32Å; L401-I405 WeakPolarHBondContact O-CG1 3.38Å; L401-I405 PolarHBondContact O-N 2.75Å; L402-I405 PolarHBondContact O-N 3.45Å; I405-F408 WeakPolarHBondContact O-CB 3.47Å; I405-F408 PolarHBondContact O-N 3.36Å; I405-L409 HydrophobicContact CG2-CD1 3.82Å; I405-L409 HydrophobicContact CG2-CG 4.48Å; I405-L409 WeakPolarHBondContact O-CG 3.31Å; I405-L409 PolarHBondContact O-N 3.23Å
406V93.8Very high89.2Confident0 Ų044.4 Ų44.40%022%0.223CC..Hα-helixtrans-63.8-42.7177.5166.40000110.7L402 Q403 L409 L410 D458 H460 I461L402-V406 HydrophobicContact CD1-CG2 4.22Å; L402-V406 HydrophobicContact CG-CG2 4.47Å; L402-V406 WeakPolarHBondContact O-CB 3.28Å; L402-V406 VanDerWaalsContact O-CG2 3.29Å; L402-V406 WeakPolarHBondContact O-CG2 3.47Å; L402-V406 PolarHBondContact O-N 3.34Å; Q403-V406 WeakPolarHBondContact O-CB 3.48Å; Q403-V406 PolarHBondContact O-N 2.97Å; V406-L409 PolarHBondContact O-N 3.08Å; V406-L410 HydrophobicContact CG1-CD1 4.3Å; V406-L410 WeakPolarHBondContact O-CB 3.27Å; V406-L410 PolarHBondContact O-N 3.28Å; V406-D458 HydrophobicContact CG2-CB 4.49Å; V406-H460 HydrophobicContact CG1-CB 4.05Å; V406-I461 HydrophobicContact CB-CG1 4.41Å; V406-I461 HydrophobicContact CG1-CG1 3.87Å; V406-I461 HydrophobicContact CG2-CD1 3.64Å; V406-I461 HydrophobicContact CG2-CG1 3.59Å
407Y93.6Very high87.8Confident44 Ų4445.9 Ų45.917%0.17323%0.229CC..Hα-helixtrans-65.8-38.8174.4-68.5-19.6000113.1Q403 L409 G411 E412 H460Q403-Y407 HydrophobicContact CG-CD2 4.08Å; Q403-Y407 HydrophobicContact CG-CE1 4.39Å; Q403-Y407 HydrophobicContact CG-CE2 3.57Å; Q403-Y407 PolarHBondContact NE2-OH 3.2Å; Q403-Y407 PolarHBondContact O-N 3.31Å; Y407-L409 PolarHBondContact O-N 2.91Å; Y407-G411 WeakPolarHBondContact O-CA 3.35Å; Y407-G411 PolarHBondContact O-N 2.73Å; Y407-E412 HydrophobicContact CD1-CG 4.08Å; Y407-E412 HydrophobicContact CD2-CG 3.92Å; Y407-E412 HydrophobicContact CE2-CG 4.46Å; Y407-E412 HydrophobicContact CG-CG 3.7Å; Y407-H460 AromaticContact CD1-CD2 3.99Å; Y407-H460 AromaticContact CD1-NE2 4Å; Y407-H460 AromaticContact CE1-CD2 3.93Å; Y407-H460 AromaticContact CE1-CG 3.98Å; Y407-H460 AromaticContact CE1-NE2 3.99Å
408F94.7Very high86.5Confident11 Ų1145.8 Ų45.85%0.04823%0.229CC..Hα-helixtrans-57.6-47.2172167.6-114.9000112.1R362 F366 V367 E371 L374 E404 I405 L427R362-F408 HydrophobicContact CG-CB 4.25Å; F366-F408 HydrophobicContact CB-CD1 3.87Å; F366-F408 HydrophobicContact CB-CD2 3.93Å; F366-F408 HydrophobicContact CB-CE1 4Å; F366-F408 HydrophobicContact CB-CE2 4.06Å; F366-F408 HydrophobicContact CB-CG 3.83Å; F366-F408 HydrophobicContact CB-CZ 4.09Å; F366-F408 HydrophobicContact CD1-CD1 4.01Å; F366-F408 AromaticContact CD1-CE1 4Å; F366-F408 HydrophobicContact CD1-CE1 4Å; F366-F408 HydrophobicContact CG-CD1 4.16Å; F366-F408 HydrophobicContact CG-CE1 4.4Å; F366-F408 HydrophobicContact CG-CG 4.46Å; F366-F408 WeakPolarHBondContact O-CE2 3.5Å; F366-F408 WeakPolarHBondContact O-CZ 3.41Å; V367-F408 HydrophobicContact CG2-CD2 3.97Å; V367-F408 HydrophobicContact CG2-CE2 4.3Å; E371-F408 HydrophobicContact CB-CE2 3.86Å; E371-F408 HydrophobicContact CB-CZ 4.04Å; E371-F408 HydrophobicContact CG-CE2 4.24Å; L374-F408 HydrophobicContact CD1-CE1 4.16Å; L374-F408 HydrophobicContact CD1-CZ 4.13Å; E404-F408 WeakPolarHBondContact O-CB 3.39Å; E404-F408 PolarHBondContact O-N 2.94Å; I405-F408 WeakPolarHBondContact O-CB 3.47Å; I405-F408 PolarHBondContact O-N 3.36Å; F408-L427 HydrophobicContact CD1-CD2 4.34Å; F408-L427 HydrophobicContact CD2-CD2 4.21Å; F408-L427 HydrophobicContact CE1-CD2 3.71Å; F408-L427 HydrophobicContact CE2-CD2 3.56Å; F408-L427 HydrophobicContact CZ-CD2 3.28Å
409L92.2Very high84.9Confident1 Ų152.1 Ų52.11%0.00526%0.262CS..Hα-helixtrans-82.7-36.8-174.3-64.4170.6000114.1L389 I393 I405 V406 Y407 L427 R428 L431 L453L389-L409 HydrophobicContact CD2-CD1 4.34Å; L389-L409 HydrophobicContact CD2-CD2 3.66Å; I393-L409 HydrophobicContact CD1-CD1 3.82Å; I405-L409 HydrophobicContact CG2-CD1 3.82Å; I405-L409 HydrophobicContact CG2-CG 4.48Å; I405-L409 WeakPolarHBondContact O-CG 3.31Å; I405-L409 PolarHBondContact O-N 3.23Å; V406-L409 PolarHBondContact O-N 3.08Å; Y407-L409 PolarHBondContact O-N 2.91Å; L409-L427 HydrophobicContact CD2-CD2 4.06Å; L409-R428 WeakPolarHBondContact O-CB 3.33Å; L409-L431 HydrophobicContact CD2-CD1 3.89Å; L409-L453 HydrophobicContact CD1-CD1 3.96Å; L409-L453 HydrophobicContact CD1-CD2 3.88Å; L409-L453 HydrophobicContact CD1-CG 4.44Å
410L87.6Confident83.2Confident2 Ų246.8 Ų46.81%0.0125%0.247CC..Hα-helixtrans-116.2-6.3-168.5-54.9-176.7000114V406 F450 I461 S464 L465V406-L410 HydrophobicContact CG1-CD1 4.3Å; V406-L410 WeakPolarHBondContact O-CB 3.27Å; V406-L410 PolarHBondContact O-N 3.28Å; L410-F450 HydrophobicContact CD2-CE1 4.32Å; L410-I461 HydrophobicContact CD1-CB 4.38Å; L410-I461 HydrophobicContact CD1-CG1 4.34Å; L410-I461 HydrophobicContact CD1-CG2 4.33Å; L410-S464 PolarHBondContact O-OG 3.43Å; L410-L465 HydrophobicContact CD1-CD1 4.37Å; L410-L465 HydrophobicContact CD1-CD2 4.42Å; L410-L465 HydrophobicContact CD1-CG 4.03Å; L410-L465 HydrophobicContact CD2-CD2 3.68Å; L410-L465 HydrophobicContact CD2-CG 4.21Å
411G86.5Confident81.6Confident9 Ų946.6 Ų46.69%0.09324%0.244CC..  trans83.7166.5-177.300000112.8Y407 N425 H460Y407-G411 WeakPolarHBondContact O-CA 3.35Å; Y407-G411 PolarHBondContact O-N 2.73Å; G411-N425 VanDerWaalsContact CA-ND2 3.31Å; G411-N425 WeakPolarHBondContact CA-ND2 3.48Å; G411-N425 PolarHBondContact N-ND2 2.85Å; G411-H460 PolarHBondContact O-NE2 3.47Å
412E84.6Confident79.9Confident103 Ų10348.4 Ų48.448%0.48126%0.255SS..SBendtrans-88.9-19.2-179.8-64.2-176.2-17700112.6R362 Y407R362-E412 IonicContact CZ-OE1 3.68Å; R362-E412 VanDerWaalsContact CZ-OE1 3.23Å; R362-E412 IonicContact NH1-OE1 3Å; R362-E412 PolarHBondContact NH1-OE1 2.99Å; R362-E412 IonicContact NH2-OE1 2.69Å; R362-E412 PolarHBondContact NH2-OE1 2.97Å; Y407-E412 HydrophobicContact CD1-CG 4.08Å; Y407-E412 HydrophobicContact CD2-CG 3.92Å; Y407-E412 HydrophobicContact CE2-CG 4.46Å; Y407-E412 HydrophobicContact CG-CG 3.7Å
413D78.6Confident78.3Confident67 Ų6751.8 Ų51.836%0.35828%0.284SS..  trans-69.1137.8-173-59.7-50.4000113.4R468D413-R468 PolarHBondContact O-NH1 3.35Å; D413-R468 VanDerWaalsContact O-NH1 3.16Å
414K72Confident77.1Confident128 Ų12854.3 Ų54.356%0.55730%0.296SS*.  trans-108-3.8175.2-59.9-175-179-177.80113.2H463K414-H463 PolarHBondContact O-CE1 2.99Å
415E68.6Low76.2Confident158 Ų15854.3 Ų54.374%0.73830%0.297SS*.SBendtrans-84.1162.1-179.8-59.5-170.416900111.4R468E415-R468 PolarHBondContact O-NE 2.94Å; E415-R468 PolarHBondContact O-NH2 2.78Å
416A64.2Low75.6Confident28 Ų2857.2 Ų57.223%0.23132%0.316CS..  trans-48.7144.3177.500000112.6T418 E472A416-T418 PolarHBondContact O-N 3.44Å; A416-E472 HydrophobicContact CB-CG 3.96Å
417E64.9Low75.4Confident33 Ų3357.3 Ų57.315%0.15432%0.316CS..  trans-67.5114.7-178.7-77.9-172161.300111.3R428 R468E417-R428 IonicContact OE1-CZ 3.85Å; E417-R428 IonicContact OE1-NE 2.65Å; E417-R428 PolarHBondContact OE1-NE 2.61Å; E417-R428 IonicContact OE1-NH2 3.22Å; E417-R428 PolarHBondContact OE1-NH2 2.97Å; E417-R468 HydrophobicContact CG-CB 4.41Å
418T65.8Low75Confident71 Ų7155.7 Ų55.744%0.43631%0.31SS..  trans-107.3159171.862.90000110.9A416 A420 T421 V422A416-T418 PolarHBondContact O-N 3.44Å; T418-A420 PolarHBondContact O-N 3.12Å; T418-T421 PolarHBondContact N-OG1 2.86Å; T418-T421 PolarHBondContact O-N 3.48Å; T418-T421 PolarHBondContact O-OG1 3.42Å; T418-T421 PolarHBondContact OG1-N 3.43Å; T418-V422 PolarHBondContact O-N 2.7Å
419L61.5Low74.4Confident134 Ų13456.6 Ų56.670%0.70231%0.314SS*.Hα-helixtrans-55.3-25.1174.5-70.9169.7000113.3
420A60.3Low74.1Confident58 Ų5859.3 Ų59.348%0.47932%0.324SS..Hα-helixtrans-72.2-38.1173.700000112.5T418 V422 A423 Q424T418-A420 PolarHBondContact O-N 3.12Å; A420-V422 PolarHBondContact O-N 3.34Å; A420-A423 PolarHBondContact O-N 3.1Å; A420-Q424 WeakPolarHBondContact O-CG 3.47Å; A420-Q424 PolarHBondContact O-N 2.94Å
421T62.4Low74.1Confident20 Ų2059.3 Ų59.312%0.12332%0.324CS..Hα-helixtrans-66.5-27.8175.252.80000112.5T418 A423 Q424 N425T418-T421 PolarHBondContact N-OG1 2.86Å; T418-T421 PolarHBondContact O-N 3.48Å; T418-T421 PolarHBondContact O-OG1 3.42Å; T418-T421 PolarHBondContact OG1-N 3.43Å; T421-A423 VanDerWaalsContact C-N 3.35Å; T421-A423 PolarHBondContact O-N 3.31Å; T421-Q424 PolarHBondContact O-N 2.83Å; T421-Q424 VanDerWaalsContact O-N 3.17Å; T421-N425 PolarHBondContact O-N 3.17Å
422V61.6Low74Confident39 Ų3959.4 Ų59.424%0.23632%0.322CS..Hα-helixtrans-63-41.3174.3177.40000112T418 A420 Q424 H429T418-V422 PolarHBondContact O-N 2.7Å; A420-V422 PolarHBondContact O-N 3.34Å; V422-Q424 VanDerWaalsContact C-N 3.27Å; V422-Q424 PolarHBondContact O-N 3.29Å; V422-H429 VanDerWaalsContact CA-NE2 3.27Å; V422-H429 WeakPolarHBondContact CA-NE2 3.27Å; V422-H429 VanDerWaalsContact CG1-CD2 3.48Å; V422-H429 WeakPolarHBondContact CG1-CD2 3.29Å; V422-H429 PolarHBondContact O-CD2 2.71Å
423A63Low73.9Confident82 Ų8259.1 Ų59.168%0.67832%0.321SS*.Hα-helixtrans-71.7-22176.700000113A420 T421A420-A423 PolarHBondContact O-N 3.1Å; T421-A423 VanDerWaalsContact C-N 3.35Å; T421-A423 PolarHBondContact O-N 3.31Å
424Q70.5Confident74.2Confident129 Ų12956 Ų5660%0.60330%0.304SS*.Hα-helixtrans-82.4-25.2-178.2-71.6167.9-0.700113A420 T421 V422A420-Q424 WeakPolarHBondContact O-CG 3.47Å; A420-Q424 PolarHBondContact O-N 2.94Å; T421-Q424 PolarHBondContact O-N 2.83Å; T421-Q424 VanDerWaalsContact O-N 3.17Å; V422-Q424 VanDerWaalsContact C-N 3.27Å; V422-Q424 PolarHBondContact O-N 3.29Å
425N77.4Confident74.7Confident24 Ų2450.1 Ų50.113%0.12828%0.28CS..  trans-133.178174.7-165.6-21.5000112.3G411 T421 L427 R428 H429G411-N425 VanDerWaalsContact CA-ND2 3.31Å; G411-N425 WeakPolarHBondContact CA-ND2 3.48Å; G411-N425 PolarHBondContact N-ND2 2.85Å; T421-N425 PolarHBondContact O-N 3.17Å; N425-L427 VanDerWaalsContact C-N 3.25Å; N425-L427 PolarHBondContact O-N 3.45Å; N425-L427 PolarHBondContact OD1-N 3.45Å; N425-R428 HydrophobicContact CB-CB 4.4Å; N425-R428 PolarHBondContact O-N 3.18Å; N425-R428 PolarHBondContact OD1-N 3.28Å; N425-H429 PolarHBondContact O-CD2 3.49Å; N425-H429 VanDerWaalsContact O-CD2 3.29Å
426P84.9Confident75.2Confident61 Ų6147.4 Ų47.440%0.39627%0.27SS..Hα-helixtrans-64.8-28.8-178.727-35000113M375 H429 R430M375-P426 HydrophobicContact CE-CB 4.27Å; P426-H429 PolarHBondContact O-N 3.19Å; P426-R430 PolarHBondContact O-N 3.21Å
427L89.3Confident76.1Confident1 Ų148.4 Ų48.41%0.00527%0.27CS..Hα-helixtrans-63.2-46.6-179.8178.163.8000111.6E371 L374 M375 F408 L409 N425 H429 R430 L431E371-L427 HydrophobicContact CG-CD2 4.31Å; L374-L427 HydrophobicContact CB-CD1 3.69Å; L374-L427 HydrophobicContact CD1-CD1 4.02Å; L374-L427 HydrophobicContact CD1-CD2 4.25Å; M375-L427 HydrophobicContact CG-CD1 4.29Å; M375-L427 HydrophobicContact SD-CB 4.44Å; M375-L427 HydrophobicContact SD-CD1 3.94Å; F408-L427 HydrophobicContact CD1-CD2 4.34Å; F408-L427 HydrophobicContact CD2-CD2 4.21Å; F408-L427 HydrophobicContact CE1-CD2 3.71Å; F408-L427 HydrophobicContact CE2-CD2 3.56Å; F408-L427 HydrophobicContact CZ-CD2 3.28Å; L409-L427 HydrophobicContact CD2-CD2 4.06Å; N425-L427 VanDerWaalsContact C-N 3.25Å; N425-L427 PolarHBondContact O-N 3.45Å; N425-L427 PolarHBondContact OD1-N 3.45Å; L427-H429 VanDerWaalsContact C-N 3.29Å; L427-H429 PolarHBondContact O-N 3.31Å; L427-R430 PolarHBondContact O-N 2.97Å; L427-L431 HydrophobicContact CD1-CD1 4.2Å; L427-L431 HydrophobicContact CD1-CG 4.16Å; L427-L431 HydrophobicContact CG-CD1 4.08Å; L427-L431 HydrophobicContact CG-CG 4.44Å; L427-L431 WeakPolarHBondContact O-CG 3.35Å; L427-L431 PolarHBondContact O-N 3.4Å
428R85.3Confident77Confident10 Ų1055.1 Ų55.14%0.03831%0.306CS..Hα-helixtrans-52.4-49.8176.3-180-170.6162.999.6-1.9111L409 E417 N425 R430 L431 I432 S464L409-R428 WeakPolarHBondContact O-CB 3.33Å; E417-R428 IonicContact OE1-CZ 3.85Å; E417-R428 IonicContact OE1-NE 2.65Å; E417-R428 PolarHBondContact OE1-NE 2.61Å; E417-R428 IonicContact OE1-NH2 3.22Å; E417-R428 PolarHBondContact OE1-NH2 2.97Å; N425-R428 HydrophobicContact CB-CB 4.4Å; N425-R428 PolarHBondContact O-N 3.18Å; N425-R428 PolarHBondContact OD1-N 3.28Å; R428-R430 PolarHBondContact O-N 2.89Å; R428-L431 PolarHBondContact O-N 3Å; R428-I432 HydrophobicContact CG-CD1 3.97Å; R428-I432 VanDerWaalsContact O-CG1 3.28Å; R428-I432 WeakPolarHBondContact O-CG1 3.25Å; R428-I432 PolarHBondContact O-N 3.2Å; R428-S464 PolarHBondContact NH1-O 2.85Å; R428-S464 VanDerWaalsContact NH1-O 3.11Å; R428-S464 PolarHBondContact NH1-OG 2.84Å; R428-S464 PolarHBondContact NH2-O 3.45Å
429H82.1Confident78.1Confident30 Ų3052.9 Ų52.914%0.13929%0.293CS..Hα-helixtrans-65-39.9-179-71.1-65.9000112.5V422 N425 P426 L427 I432 E433V422-H429 VanDerWaalsContact CA-NE2 3.27Å; V422-H429 WeakPolarHBondContact CA-NE2 3.27Å; V422-H429 VanDerWaalsContact CG1-CD2 3.48Å; V422-H429 WeakPolarHBondContact CG1-CD2 3.29Å; V422-H429 PolarHBondContact O-CD2 2.71Å; N425-H429 PolarHBondContact O-CD2 3.49Å; N425-H429 VanDerWaalsContact O-CD2 3.29Å; P426-H429 PolarHBondContact O-N 3.19Å; L427-H429 VanDerWaalsContact C-N 3.29Å; L427-H429 PolarHBondContact O-N 3.31Å; H429-I432 PolarHBondContact O-N 3.03Å; H429-E433 PolarHBondContact O-N 2.99Å
430R85.8Confident79.3Confident58 Ų5852.4 Ų52.422%0.21929%0.291CS..Hα-helixtrans-63.8-42.1177.3-171.164.9-175.71704.1112.3M375 P426 L427 R428 I432 E433 H434M375-R430 HydrophobicContact CE-CB 4.08Å; M375-R430 HydrophobicContact CE-CG 4.25Å; M375-R430 HydrophobicContact SD-CB 3.59Å; M375-R430 VanDerWaalsContact SD-CB 3.59Å; M375-R430 HydrophobicContact SD-CG 3.75Å; P426-R430 PolarHBondContact O-N 3.21Å; L427-R430 PolarHBondContact O-N 2.97Å; R428-R430 PolarHBondContact O-N 2.89Å; R430-I432 VanDerWaalsContact C-N 3.34Å; R430-E433 IonicContact CZ-OE2 2.68Å; R430-E433 IonicContact NE-OE2 3.56Å; R430-E433 VanDerWaalsContact NH1-CD 3.28Å; R430-E433 IonicContact NH1-OE1 2.77Å; R430-E433 PolarHBondContact NH1-OE1 3.14Å; R430-E433 IonicContact NH1-OE2 3.67Å; R430-E433 PolarHBondContact NH1-OE2 3.42Å; R430-E433 WeakPolarHBondContact O-CB 3.28Å; R430-E433 PolarHBondContact O-N 3.15Å; R430-H434 PolarHBondContact NE-NE2 2.86Å; R430-H434 PolarHBondContact NH2-NE2 3.48Å; R430-H434 PolarHBondContact O-CD2 3.08Å; R430-H434 VanDerWaalsContact O-CD2 3.31Å; R430-H434 VanDerWaalsContact O-CG 3.28Å; R430-H434 PolarHBondContact O-N 3.1Å
431L87.4Confident80.7Confident3 Ų356 Ų562%0.01630%0.298CS..Hα-helixtrans-65.6-37.1175.5-67174.1000111.9L409 L427 R428 H434 C435 T446 L449 F450L409-L431 HydrophobicContact CD2-CD1 3.89Å; L427-L431 HydrophobicContact CD1-CD1 4.2Å; L427-L431 HydrophobicContact CD1-CG 4.16Å; L427-L431 HydrophobicContact CG-CD1 4.08Å; L427-L431 HydrophobicContact CG-CG 4.44Å; L427-L431 WeakPolarHBondContact O-CG 3.35Å; L427-L431 PolarHBondContact O-N 3.4Å; R428-L431 PolarHBondContact O-N 3Å; L431-H434 PolarHBondContact O-N 3.49Å; L431-C435 PolarHBondContact O-N 3.42Å; L431-T446 HydrophobicContact CB-CG2 4.42Å; L431-T446 HydrophobicContact CD2-CG2 4.43Å; L431-T446 VanDerWaalsContact O-CG2 3.22Å; L431-T446 WeakPolarHBondContact O-CG2 3.41Å; L431-L449 HydrophobicContact CD1-CD2 4.12Å; L431-L449 HydrophobicContact CD2-CD2 4.15Å; L431-F450 HydrophobicContact CB-CE2 4.3Å; L431-F450 HydrophobicContact CB-CZ 4Å
432I83.1Confident82Confident10 Ų1055 Ų555%0.05129%0.292CS..Hα-helixtrans-63.8-43.5173.9-72.6171.8000110.8R428 H429 R430 H434 C435 F450 V604 L607R428-I432 HydrophobicContact CG-CD1 3.97Å; R428-I432 VanDerWaalsContact O-CG1 3.28Å; R428-I432 WeakPolarHBondContact O-CG1 3.25Å; R428-I432 PolarHBondContact O-N 3.2Å; H429-I432 PolarHBondContact O-N 3.03Å; R430-I432 VanDerWaalsContact C-N 3.34Å; I432-H434 VanDerWaalsContact C-N 3.32Å; I432-H434 PolarHBondContact O-N 3.37Å; I432-C435 WeakPolarHBondContact O-CB 3.32Å; I432-C435 PolarHBondContact O-N 3.15Å; I432-F450 HydrophobicContact CG1-CZ 4.25Å; I432-V604 HydrophobicContact CG1-CG2 4.46Å; I432-V604 HydrophobicContact CG2-CB 4.15Å; I432-V604 HydrophobicContact CG2-CG1 3.78Å; I432-V604 HydrophobicContact CG2-CG2 4.06Å; I432-V604 WeakPolarHBondContact O-CG1 3.45Å; I432-L607 HydrophobicContact CD1-CD2 4.25Å
433E82.6Confident83.1Confident97 Ų9753.8 Ų53.845%0.45329%0.285SS..Hα-helixtrans-62.1-39.6175.1-172.3-170.2173.200111.6H429 R430 C435 D436H429-E433 PolarHBondContact O-N 2.99Å; R430-E433 IonicContact CZ-OE2 2.68Å; R430-E433 IonicContact NE-OE2 3.56Å; R430-E433 VanDerWaalsContact NH1-CD 3.28Å; R430-E433 IonicContact NH1-OE1 2.77Å; R430-E433 PolarHBondContact NH1-OE1 3.14Å; R430-E433 IonicContact NH1-OE2 3.67Å; R430-E433 PolarHBondContact NH1-OE2 3.42Å; R430-E433 WeakPolarHBondContact O-CB 3.28Å; R430-E433 PolarHBondContact O-N 3.15Å; E433-C435 PolarHBondContact O-N 3.19Å; E433-D436 CarbonylContact O-C 3.59Å; E433-D436 PolarHBondContact O-N 2.94Å
434H85.2Confident84.2Confident1 Ų154.1 Ų54.11%0.00528%0.275CS..Hα-helixtrans-63.7-19.6177.8-73.5-177.3000113.9R430 L431 I432 D436 H437 I442 S443 T446R430-H434 PolarHBondContact NE-NE2 2.86Å; R430-H434 PolarHBondContact NH2-NE2 3.48Å; R430-H434 PolarHBondContact O-CD2 3.08Å; R430-H434 VanDerWaalsContact O-CD2 3.31Å; R430-H434 VanDerWaalsContact O-CG 3.28Å; R430-H434 PolarHBondContact O-N 3.1Å; L431-H434 PolarHBondContact O-N 3.49Å; I432-H434 VanDerWaalsContact C-N 3.32Å; I432-H434 PolarHBondContact O-N 3.37Å; H434-D436 PolarHBondContact O-N 3.43Å; H434-H437 WeakPolarHBondContact O-CB 3.29Å; H434-H437 PolarHBondContact O-N 3.38Å; H434-I442 HydrophobicContact CB-CG2 4.04Å; H434-S443 VanDerWaalsContact O-CA 3.3Å; H434-S443 WeakPolarHBondContact O-CA 3.22Å; H434-S443 PolarHBondContact O-OG 3.33Å; H434-T446 HydrophobicContact CB-CG2 3.99Å
435C82.5Confident85Confident6 Ų648.5 Ų48.54%0.04125%0.249CC..THydrogen-bonded Turntrans-67.8-21.6173.1-68.50000113.3L431 I432 E433 S443 L447 F450 V604L431-C435 PolarHBondContact O-N 3.42Å; I432-C435 WeakPolarHBondContact O-CB 3.32Å; I432-C435 PolarHBondContact O-N 3.15Å; E433-C435 PolarHBondContact O-N 3.19Å; C435-S443 WeakPolarHBondContact O-CB 3.22Å; C435-L447 HydrophobicContact CB-CD2 4.14Å; C435-L447 HydrophobicContact CB-CG 4.45Å; C435-F450 VanDerWaalsContact SG-CE2 3.59Å; C435-V604 HydrophobicContact CB-CG1 4.04Å
436D79.4Confident85.5Confident101 Ų10147.4 Ų47.454%0.5424%0.243SC..THydrogen-bonded Turntrans-119.539.8176.6-166.829.5000110.2E433 H434 L608E433-D436 CarbonylContact O-C 3.59Å; E433-D436 PolarHBondContact O-N 2.94Å; H434-D436 PolarHBondContact O-N 3.43Å; D436-L608 HydrophobicContact CB-CD1 4.37Å
437H83.7Confident85.5Confident49 Ų4947.2 Ų47.223%0.22724%0.238CC..  trans-76.6151.2177.8-164.1-92.3000110.8H434 S439 I442 S443H434-H437 WeakPolarHBondContact O-CB 3.29Å; H434-H437 PolarHBondContact O-N 3.38Å; H437-S439 WeakPolarHBondContact ND1-CB 3.31Å; H437-S439 PolarHBondContact ND1-N 3.36Å; H437-S439 PolarHBondContact O-N 3.37Å; H437-S439 VanDerWaalsContact O-N 3.1Å; H437-I442 HydrophobicContact CB-CB 4.18Å; H437-I442 HydrophobicContact CB-CG2 3.87Å; H437-S443 PolarHBondContact N-OG 3.48Å; H437-S443 PolarHBondContact O-OG 2.96Å
438L83.3Confident85.3Confident174 Ų17452 Ų5291%0.91126%0.256SS*.SBendtrans-60.9-21.2176.2-174.163.9000113.5
439S88.9Confident85.5Confident23 Ų2351.5 Ų51.516%0.16125%0.254CS..SBendtrans-96.8113.5175.9173.90000109.1H437 E441 I442 S443H437-S439 WeakPolarHBondContact ND1-CB 3.31Å; H437-S439 PolarHBondContact ND1-N 3.36Å; H437-S439 PolarHBondContact O-N 3.37Å; H437-S439 VanDerWaalsContact O-N 3.1Å; S439-E441 PolarHBondContact O-N 3.48Å; S439-I442 PolarHBondContact O-N 3.38Å; S439-I442 VanDerWaalsContact O-N 3.09Å; S439-S443 PolarHBondContact O-N 2.9Å; S439-S443 VanDerWaalsContact O-N 3.12Å; S439-S443 PolarHBondContact O-OG 3.03Å
440D87.1Confident85.8Confident125 Ų12550.3 Ų50.367%0.66825%0.249SC*.Hα-helixtrans-55.8-34.5178.7-66-25.2000112S443 I444D440-S443 PolarHBondContact O-N 2.68Å; D440-I444 WeakPolarHBondContact O-CB 3.42Å; D440-I444 WeakPolarHBondContact O-CD1 3.36Å; D440-I444 WeakPolarHBondContact O-CG1 3.27Å; D440-I444 PolarHBondContact O-N 3.16Å
441E89.6Confident85.6Confident132 Ų13250.4 Ų50.462%0.61725%0.251SS*.Hα-helixtrans-63.7-42.7178.9-65.3-175.9-178.900111.7L383 S439 M445L383-E441 HydrophobicContact CD1-CB 4.26Å; L383-E441 HydrophobicContact CD2-CB 3.91Å; S439-E441 PolarHBondContact O-N 3.48Å; E441-M445 WeakPolarHBondContact O-CB 3.43Å; E441-M445 PolarHBondContact O-N 3.05Å
442I89Confident85.6Confident0 Ų052.1 Ų52.10%026%0.259CS..Hα-helixtrans-67-44.5177.8-67.7174.9000109.8E379 I382 L383 H434 H437 S439 M445 T446E379-I442 HydrophobicContact CB-CD1 3.96Å; E379-I442 HydrophobicContact CG-CD1 3.93Å; I382-I442 HydrophobicContact CB-CD1 4.36Å; I382-I442 HydrophobicContact CD1-CD1 4.31Å; I382-I442 HydrophobicContact CG2-CD1 4.26Å; I382-I442 HydrophobicContact CG2-CG1 4.25Å; I382-I442 HydrophobicContact CG2-CG2 3.82Å; L383-I442 HydrophobicContact CD2-CG1 3.83Å; L383-I442 HydrophobicContact CG-CG1 3.88Å; H434-I442 HydrophobicContact CB-CG2 4.04Å; H437-I442 HydrophobicContact CB-CB 4.18Å; H437-I442 HydrophobicContact CB-CG2 3.87Å; S439-I442 PolarHBondContact O-N 3.38Å; S439-I442 VanDerWaalsContact O-N 3.09Å; I442-M445 PolarHBondContact O-N 3.35Å; I442-T446 WeakPolarHBondContact O-CB 3.37Å; I442-T446 PolarHBondContact O-N 2.81Å; I442-T446 PolarHBondContact O-OG1 3.44Å
443S85.6Confident85.8Confident13 Ų1351.7 Ų51.79%0.09126%0.257CS..Hα-helixtrans-59.6-50.5177.4-59.70000111.3H434 C435 H437 S439 D440 M445 T446 L447H434-S443 VanDerWaalsContact O-CA 3.3Å; H434-S443 WeakPolarHBondContact O-CA 3.22Å; H434-S443 PolarHBondContact O-OG 3.33Å; C435-S443 WeakPolarHBondContact O-CB 3.22Å; H437-S443 PolarHBondContact N-OG 3.48Å; H437-S443 PolarHBondContact O-OG 2.96Å; S439-S443 PolarHBondContact O-N 2.9Å; S439-S443 VanDerWaalsContact O-N 3.12Å; S439-S443 PolarHBondContact O-OG 3.03Å; D440-S443 PolarHBondContact O-N 2.68Å; S443-M445 PolarHBondContact O-N 2.88Å; S443-T446 PolarHBondContact O-N 3.27Å; S443-L447 WeakPolarHBondContact O-CB 3.41Å; S443-L447 WeakPolarHBondContact O-CG 3.47Å; S443-L447 PolarHBondContact O-N 3.46Å
444I85.1Confident85.9Confident89 Ų8947.9 Ų47.946%0.45624%0.24SC..Hα-helixtrans-63.2-44.7178.6-68.5164.4000111.3D440 T446 L447 R448D440-I444 WeakPolarHBondContact O-CB 3.42Å; D440-I444 WeakPolarHBondContact O-CD1 3.36Å; D440-I444 WeakPolarHBondContact O-CG1 3.27Å; D440-I444 PolarHBondContact O-N 3.16Å; I444-T446 VanDerWaalsContact C-N 3.32Å; I444-T446 PolarHBondContact O-N 2.91Å; I444-L447 PolarHBondContact O-N 3.23Å; I444-R448 WeakPolarHBondContact O-CG 3.21Å; I444-R448 PolarHBondContact O-N 2.96Å
445M88.2Confident85.9Confident12 Ų1251.5 Ų51.56%0.05926%0.257CS..Hα-helixtrans-63.1-40.1-179.5-175.256.859.900111.8P301 L383 T386 A387 N390 E441 I442 S443 R448 L449P301-M445 HydrophobicContact CB-CE 3.45Å; P301-M445 VanDerWaalsContact CB-CE 3.45Å; P301-M445 HydrophobicContact CG-CE 4.13Å; L383-M445 HydrophobicContact CD2-CB 4.11Å; L383-M445 HydrophobicContact CD2-CG 4.49Å; T386-M445 HydrophobicContact CG2-CG 3.73Å; A387-M445 HydrophobicContact CB-CE 4.33Å; A387-M445 HydrophobicContact CB-SD 3.98Å; N390-M445 PolarHBondContact ND2-O 3.23Å; N390-M445 VanDerWaalsContact ND2-O 3.14Å; N390-M445 PolarHBondContact ND2-SD 2.74Å; N390-M445 VanDerWaalsContact ND2-SD 3.41Å; E441-M445 WeakPolarHBondContact O-CB 3.43Å; E441-M445 PolarHBondContact O-N 3.05Å; I442-M445 PolarHBondContact O-N 3.35Å; S443-M445 PolarHBondContact O-N 2.88Å; M445-R448 WeakPolarHBondContact O-CB 3.33Å; M445-R448 PolarHBondContact O-N 3.46Å; M445-L449 PolarHBondContact O-N 3.49Å; M445-L449 VanDerWaalsContact O-N 3.11Å
446T87.8Confident86.1Confident0 Ų052.9 Ų52.90%026%0.262CS..Hα-helixtrans-73.2-35.8178-49.40000111.7L431 H434 I442 S443 I444 R448 L449 F450L431-T446 HydrophobicContact CB-CG2 4.42Å; L431-T446 HydrophobicContact CD2-CG2 4.43Å; L431-T446 VanDerWaalsContact O-CG2 3.22Å; L431-T446 WeakPolarHBondContact O-CG2 3.41Å; H434-T446 HydrophobicContact CB-CG2 3.99Å; I442-T446 WeakPolarHBondContact O-CB 3.37Å; I442-T446 PolarHBondContact O-N 2.81Å; I442-T446 PolarHBondContact O-OG1 3.44Å; S443-T446 PolarHBondContact O-N 3.27Å; I444-T446 VanDerWaalsContact C-N 3.32Å; I444-T446 PolarHBondContact O-N 2.91Å; T446-R448 VanDerWaalsContact C-N 3.34Å; T446-R448 PolarHBondContact O-N 3.46Å; T446-L449 VanDerWaalsContact O-CB 3.24Å; T446-L449 WeakPolarHBondContact O-CB 3.33Å; T446-L449 PolarHBondContact O-N 3.22Å; T446-L449 VanDerWaalsContact O-N 3.14Å; T446-F450 HydrophobicContact CG2-CD2 4.36Å; T446-F450 HydrophobicContact CG2-CE2 3.98Å; T446-F450 VanDerWaalsContact O-CD2 3.32Å; T446-F450 WeakPolarHBondContact O-CD2 3.38Å; T446-F450 PolarHBondContact O-N 3.05Å
447L84.8Confident86.3Confident57 Ų5753.8 Ų53.830%0.29827%0.273SS..Hα-helixtrans-63.8-39.2171.4-72.4168.7000111.9C435 S443 I444 L449 F450 E451 F601C435-L447 HydrophobicContact CB-CD2 4.14Å; C435-L447 HydrophobicContact CB-CG 4.45Å; S443-L447 WeakPolarHBondContact O-CB 3.41Å; S443-L447 WeakPolarHBondContact O-CG 3.47Å; S443-L447 PolarHBondContact O-N 3.46Å; I444-L447 PolarHBondContact O-N 3.23Å; L447-L449 VanDerWaalsContact C-N 3.26Å; L447-L449 PolarHBondContact O-N 3.31Å; L447-F450 PolarHBondContact O-N 3.44Å; L447-E451 PolarHBondContact O-N 2.96Å; L447-F601 HydrophobicContact CD1-CE2 4.24Å; L447-F601 HydrophobicContact CD2-CD2 4.32Å
448R85.4Confident86.3Confident102 Ų10253 Ų5339%0.38527%0.271SS..Hα-helixtrans-60.1-37.3171.9-73.6177.1-175.7-170.33.8111.7E305 N390 I444 M445 T446 E451 Q452E305-R448 IonicContact OE1-NH1 3.68Å; E305-R448 PolarHBondContact OE1-NH1 2.89Å; E305-R448 IonicContact OE2-NH1 2.79Å; E305-R448 PolarHBondContact OE2-NH1 2.71Å; N390-R448 PolarHBondContact OD1-O 2.91Å; I444-R448 WeakPolarHBondContact O-CG 3.21Å; I444-R448 PolarHBondContact O-N 2.96Å; M445-R448 WeakPolarHBondContact O-CB 3.33Å; M445-R448 PolarHBondContact O-N 3.46Å; T446-R448 VanDerWaalsContact C-N 3.34Å; T446-R448 PolarHBondContact O-N 3.46Å; R448-E451 WeakPolarHBondContact O-CB 3.28Å; R448-E451 PolarHBondContact O-N 3.2Å; R448-Q452 WeakPolarHBondContact O-CG 3.38Å; R448-Q452 PolarHBondContact O-N 3.43Å
449L89.8Confident86.3Confident0 Ų053 Ų530%027%0.266CS..Hα-helixtrans-57.7-50.5174.2179.872.3000112.4T386 L389 N390 I393 L431 M445 T446 L447 E451 Q452 L453T386-L449 HydrophobicContact CG2-CB 4.33Å; T386-L449 HydrophobicContact CG2-CD2 4.26Å; L389-L449 HydrophobicContact CB-CD1 4.37Å; L389-L449 HydrophobicContact CD2-CD1 3.69Å; L389-L449 HydrophobicContact CD2-CD2 3.75Å; L389-L449 HydrophobicContact CD2-CG 4.38Å; L389-L449 HydrophobicContact CG-CD1 3.75Å; N390-L449 WeakPolarHBondContact OD1-CA 3.24Å; N390-L449 PolarHBondContact OD1-N 3.17Å; I393-L449 HydrophobicContact CD1-CD1 3.3Å; I393-L449 HydrophobicContact CD1-CG 4.46Å; L431-L449 HydrophobicContact CD1-CD2 4.12Å; L431-L449 HydrophobicContact CD2-CD2 4.15Å; M445-L449 PolarHBondContact O-N 3.49Å; M445-L449 VanDerWaalsContact O-N 3.11Å; T446-L449 VanDerWaalsContact O-CB 3.24Å; T446-L449 WeakPolarHBondContact O-CB 3.33Å; T446-L449 PolarHBondContact O-N 3.22Å; T446-L449 VanDerWaalsContact O-N 3.14Å; L447-L449 VanDerWaalsContact C-N 3.26Å; L447-L449 PolarHBondContact O-N 3.31Å; L449-E451 VanDerWaalsContact C-N 3.33Å; L449-E451 PolarHBondContact O-N 2.95Å; L449-Q452 PolarHBondContact O-N 2.82Å; L449-L453 WeakPolarHBondContact O-CG 3.42Å; L449-L453 PolarHBondContact O-N 3.06Å
450F87Confident86.2Confident5 Ų552.5 Ų52.52%0.02226%0.261CS..Hα-helixtrans-66-37.2176.5-71.8-68.1000112.3L410 L431 I432 C435 T446 L447 Q452 L453 I454 L465L410-F450 HydrophobicContact CD2-CE1 4.32Å; L431-F450 HydrophobicContact CB-CE2 4.3Å; L431-F450 HydrophobicContact CB-CZ 4Å; I432-F450 HydrophobicContact CG1-CZ 4.25Å; C435-F450 VanDerWaalsContact SG-CE2 3.59Å; T446-F450 HydrophobicContact CG2-CD2 4.36Å; T446-F450 HydrophobicContact CG2-CE2 3.98Å; T446-F450 VanDerWaalsContact O-CD2 3.32Å; T446-F450 WeakPolarHBondContact O-CD2 3.38Å; T446-F450 PolarHBondContact O-N 3.05Å; L447-F450 PolarHBondContact O-N 3.44Å; F450-Q452 PolarHBondContact O-N 3.34Å; F450-L453 HydrophobicContact CD1-CD1 4.14Å; F450-L453 PolarHBondContact O-N 3.21Å; F450-I454 VanDerWaalsContact O-CD1 3.23Å; F450-I454 WeakPolarHBondContact O-CD1 3.49Å; F450-I454 WeakPolarHBondContact O-CG1 3.25Å; F450-I454 PolarHBondContact O-N 3.29Å; F450-L465 HydrophobicContact CD1-CD1 4.08Å; F450-L465 HydrophobicContact CD1-CD2 4.1Å; F450-L465 HydrophobicContact CE1-CD2 3.89Å
451E83.1Confident86Confident59 Ų5946.7 Ų46.728%0.27623%0.23SC..Hα-helixtrans-58.3-46.3172.5172.8168.7-146.900111.9L447 R448 L449 L453 I454 Q455 K597L447-E451 PolarHBondContact O-N 2.96Å; R448-E451 WeakPolarHBondContact O-CB 3.28Å; R448-E451 PolarHBondContact O-N 3.2Å; L449-E451 VanDerWaalsContact C-N 3.33Å; L449-E451 PolarHBondContact O-N 2.95Å; E451-L453 VanDerWaalsContact C-N 3.34Å; E451-L453 PolarHBondContact O-N 2.86Å; E451-I454 PolarHBondContact O-N 2.95Å; E451-Q455 WeakPolarHBondContact O-CG 3.24Å; E451-Q455 PolarHBondContact O-N 3.11Å; E451-K597 VanDerWaalsContact CD-NZ 3.29Å; E451-K597 WeakPolarHBondContact OE1-CE 3.34Å; E451-K597 IonicContact OE1-NZ 3.52Å; E451-K597 PolarHBondContact OE1-NZ 3.41Å; E451-K597 IonicContact OE2-NZ 2.7Å
452Q86.2Confident85.5Confident39 Ų3944.1 Ų44.118%0.18222%0.22CC..Hα-helixtrans-64-38177.2-69.9-55.4-6200112.3I393 R448 L449 F450 Q455I393-Q452 HydrophobicContact CG2-CB 4.33Å; R448-Q452 WeakPolarHBondContact O-CG 3.38Å; R448-Q452 PolarHBondContact O-N 3.43Å; L449-Q452 PolarHBondContact O-N 2.82Å; F450-Q452 PolarHBondContact O-N 3.34Å; Q452-Q455 PolarHBondContact O-N 3.02Å
453L87.1Confident85Confident1 Ų146.4 Ų46.41%0.00523%0.231CC..Hα-helixtrans-63-47.2175.2-75.1170.4000111.6I393 L409 L449 F450 E451 Q455 K456 I461I393-L453 HydrophobicContact CD1-CD2 3.79Å; I393-L453 HydrophobicContact CD1-CG 4.1Å; I393-L453 HydrophobicContact CG1-CD2 4.24Å; I393-L453 HydrophobicContact CG2-CD2 4.04Å; L409-L453 HydrophobicContact CD1-CD1 3.96Å; L409-L453 HydrophobicContact CD1-CD2 3.88Å; L409-L453 HydrophobicContact CD1-CG 4.44Å; L449-L453 WeakPolarHBondContact O-CG 3.42Å; L449-L453 PolarHBondContact O-N 3.06Å; F450-L453 HydrophobicContact CD1-CD1 4.14Å; F450-L453 PolarHBondContact O-N 3.21Å; E451-L453 VanDerWaalsContact C-N 3.34Å; E451-L453 PolarHBondContact O-N 2.86Å; L453-Q455 PolarHBondContact O-N 3.32Å; L453-K456 WeakPolarHBondContact O-CB 3.43Å; L453-K456 PolarHBondContact O-N 2.83Å; L453-I461 HydrophobicContact CB-CD1 4.44Å; L453-I461 HydrophobicContact CB-CG2 4.31Å; L453-I461 WeakPolarHBondContact O-CD1 3.29Å
454I85.1Confident84.7Confident17 Ų1745.8 Ų45.89%0.08723%0.227CC..Hα-helixtrans-65.3-25.5-178.4-60.4154.5000111.6F450 E451 K456 I461 L462 L465 L593 L596 I600F450-I454 VanDerWaalsContact O-CD1 3.23Å; F450-I454 WeakPolarHBondContact O-CD1 3.49Å; F450-I454 WeakPolarHBondContact O-CG1 3.25Å; F450-I454 PolarHBondContact O-N 3.29Å; E451-I454 PolarHBondContact O-N 2.95Å; I454-K456 PolarHBondContact O-N 3.21Å; I454-I461 HydrophobicContact CG1-CG2 4.42Å; I454-L462 HydrophobicContact CG2-CD2 4.32Å; I454-L465 HydrophobicContact CG1-CD1 4.34Å; I454-L593 HydrophobicContact CB-CD2 4.12Å; I454-L593 HydrophobicContact CD1-CD2 4.3Å; I454-L593 HydrophobicContact CG2-CD2 3.53Å; I454-L593 HydrophobicContact CG2-CG 4.24Å; I454-L596 HydrophobicContact CD1-CD2 4.38Å; I454-L596 HydrophobicContact CG1-CD2 4.47Å; I454-L596 HydrophobicContact CG2-CD2 4.1Å; I454-I600 HydrophobicContact CD1-CD1 3.21Å; I454-I600 HydrophobicContact CG1-CD1 4.17Å
455Q85Confident84.2Confident78 Ų7842.4 Ų42.436%0.36421%0.209SC..THydrogen-bonded Turntrans-68.9-14.7173.4-71.6174.313.900113.2E451 Q452 L453 F589E451-Q455 WeakPolarHBondContact O-CG 3.24Å; E451-Q455 PolarHBondContact O-N 3.11Å; Q452-Q455 PolarHBondContact O-N 3.02Å; L453-Q455 PolarHBondContact O-N 3.32Å; Q455-F589 WeakPolarHBondContact O-CZ 3.46Å
456K86.6Confident83.4Confident35 Ų3542.2 Ų42.215%0.15221%0.209CC..SBendtrans-84.7142.4179.6-64.8-69.2-178.4173.20112I393 R394 V396 L402 L453 I454 D458 I461I393-K456 HydrophobicContact CG2-CG 4.25Å; I393-K456 WeakPolarHBondContact O-CE 3.34Å; I393-K456 PolarHBondContact O-NZ 3.25Å; R394-K456 PolarHBondContact O-NZ 3.35Å; R394-K456 VanDerWaalsContact O-NZ 3.12Å; V396-K456 PolarHBondContact O-NZ 3.47Å; L402-K456 HydrophobicContact CD1-CB 3.93Å; L402-K456 HydrophobicContact CD1-CD 4.08Å; L402-K456 HydrophobicContact CD1-CG 3.8Å; L402-K456 HydrophobicContact CD2-CB 3.96Å; L402-K456 HydrophobicContact CD2-CD 4.34Å; L402-K456 HydrophobicContact CD2-CG 4.45Å; L453-K456 WeakPolarHBondContact O-CB 3.43Å; L453-K456 PolarHBondContact O-N 2.83Å; I454-K456 PolarHBondContact O-N 3.21Å; K456-D458 PolarHBondContact O-N 3.01Å; K456-I461 HydrophobicContact CB-CD1 3.99Å
457P84.8Confident82.5Confident120 Ų12046.3 Ų46.378%0.77923%0.23SC*.  trans-80.756-17535.6-38000112.7
458D82.6Confident81.9Confident31 Ų3144 Ų4417%0.16622%0.217CC..  trans-120.7123.2179.9-173.4-61.2000111.3L402 V406 K456 H460 I461L402-D458 HydrophobicContact CD2-CB 4.35Å; V406-D458 HydrophobicContact CG2-CB 4.49Å; K456-D458 PolarHBondContact O-N 3.01Å; D458-H460 VanDerWaalsContact C-N 3.28Å; D458-H460 PolarHBondContact O-N 3.06Å; D458-H460 WeakPolarHBondContact OD1-CA 3.46Å; D458-H460 WeakPolarHBondContact OD1-CB 3.25Å; D458-H460 PolarHBondContact OD1-N 3.11Å; D458-I461 HydrophobicContact CB-CD1 3.8Å; D458-I461 HydrophobicContact CB-CG1 3.94Å; D458-I461 WeakPolarHBondContact O-CB 3.24Å; D458-I461 PolarHBondContact O-N 2.93Å
459Q83.9Confident80.7Confident176 Ų17640.3 Ų40.382%0.82221%0.211SC*.Hα-helixtrans-66-30.2-176.8-68.1-176.1-16.500113I461 L462 H463Q459-I461 PolarHBondContact O-N 2.94Å; Q459-L462 PolarHBondContact O-N 3.38Å; Q459-H463 WeakPolarHBondContact O-CB 3.33Å; Q459-H463 PolarHBondContact O-N 2.88Å
460H85.9Confident79.4Confident12 Ų1241.2 Ų41.26%0.05622%0.216CC..Hα-helixtrans-67.1-27.5-179.4-16780.1000111.8V406 Y407 G411 D458 H463 S464V406-H460 HydrophobicContact CG1-CB 4.05Å; Y407-H460 AromaticContact CD1-CD2 3.99Å; Y407-H460 AromaticContact CD1-NE2 4Å; Y407-H460 AromaticContact CE1-CD2 3.93Å; Y407-H460 AromaticContact CE1-CG 3.98Å; Y407-H460 AromaticContact CE1-NE2 3.99Å; G411-H460 PolarHBondContact O-NE2 3.47Å; D458-H460 VanDerWaalsContact C-N 3.28Å; D458-H460 PolarHBondContact O-N 3.06Å; D458-H460 WeakPolarHBondContact OD1-CA 3.46Å; D458-H460 WeakPolarHBondContact OD1-CB 3.25Å; D458-H460 PolarHBondContact OD1-N 3.11Å; H460-H463 PolarHBondContact O-N 3.01Å; H460-S464 WeakPolarHBondContact O-CB 3.26Å; H460-S464 PolarHBondContact O-N 2.95Å
461I83.5Confident77.9Confident2 Ų246.5 Ų46.51%0.0124%0.241CC..Hα-helixtrans-61.7-55.3176.5-60.6178000110.5V406 L410 L453 I454 K456 D458 Q459 H463 S464 L465V406-I461 HydrophobicContact CB-CG1 4.41Å; V406-I461 HydrophobicContact CG1-CG1 3.87Å; V406-I461 HydrophobicContact CG2-CD1 3.64Å; V406-I461 HydrophobicContact CG2-CG1 3.59Å; L410-I461 HydrophobicContact CD1-CB 4.38Å; L410-I461 HydrophobicContact CD1-CG1 4.34Å; L410-I461 HydrophobicContact CD1-CG2 4.33Å; L453-I461 HydrophobicContact CB-CD1 4.44Å; L453-I461 HydrophobicContact CB-CG2 4.31Å; L453-I461 WeakPolarHBondContact O-CD1 3.29Å; I454-I461 HydrophobicContact CG1-CG2 4.42Å; K456-I461 HydrophobicContact CB-CD1 3.99Å; D458-I461 HydrophobicContact CB-CD1 3.8Å; D458-I461 HydrophobicContact CB-CG1 3.94Å; D458-I461 WeakPolarHBondContact O-CB 3.24Å; D458-I461 PolarHBondContact O-N 2.93Å; Q459-I461 PolarHBondContact O-N 2.94Å; I461-H463 VanDerWaalsContact C-N 3.34Å; I461-H463 PolarHBondContact O-N 3.21Å; I461-S464 PolarHBondContact O-N 2.77Å; I461-L465 HydrophobicContact CG2-CD1 3.84Å; I461-L465 WeakPolarHBondContact O-CB 3.46Å; I461-L465 WeakPolarHBondContact O-CG 3Å; I461-L465 PolarHBondContact O-N 3.39Å
462L79.3Confident76.4Confident78 Ų7847.6 Ų47.641%0.40825%0.246SC..Hα-helixtrans-65.2-40.6178.8-65.5177.3000111.4I454 Q459 V466 L467 L596I454-L462 HydrophobicContact CG2-CD2 4.32Å; Q459-L462 PolarHBondContact O-N 3.38Å; L462-V466 WeakPolarHBondContact O-CA 3.35Å; L462-V466 VanDerWaalsContact O-CB 3.29Å; L462-V466 WeakPolarHBondContact O-CB 3.26Å; L462-V466 PolarHBondContact O-N 3.41Å; L462-L467 PolarHBondContact O-N 3.5Å; L462-L596 HydrophobicContact CD2-CD1 4.47Å; L462-L596 HydrophobicContact CD2-CD2 3.35Å
463H77.9Confident74.9Confident48 Ų4850.4 Ų50.422%0.22226%0.255CS..Iπ-helixtrans-60-50.3177.9-171.6-76000111.3K414 Q459 H460 I461 L467 R468K414-H463 PolarHBondContact O-CE1 2.99Å; Q459-H463 WeakPolarHBondContact O-CB 3.33Å; Q459-H463 PolarHBondContact O-N 2.88Å; H460-H463 PolarHBondContact O-N 3.01Å; I461-H463 VanDerWaalsContact C-N 3.34Å; I461-H463 PolarHBondContact O-N 3.21Å; H463-L467 HydrophobicContact CB-CD1 4.37Å; H463-L467 PolarHBondContact O-N 3.43Å; H463-L467 VanDerWaalsContact O-N 3.1Å; H463-R468 WeakPolarHBondContact O-CG 3.47Å; H463-R468 PolarHBondContact O-N 2.81Å
464S79.1Confident72.9Confident1 Ų156.2 Ų56.21%0.00729%0.286CS..Iπ-helixtrans-73.7-35.7-174.6-166.60000112.7L410 R428 H460 I461L410-S464 PolarHBondContact O-OG 3.43Å; R428-S464 PolarHBondContact NH1-O 2.85Å; R428-S464 VanDerWaalsContact NH1-O 3.11Å; R428-S464 PolarHBondContact NH1-OG 2.84Å; R428-S464 PolarHBondContact NH2-O 3.45Å; H460-S464 WeakPolarHBondContact O-CB 3.26Å; H460-S464 PolarHBondContact O-N 2.95Å; I461-S464 PolarHBondContact O-N 2.77Å
465L75.8Confident71.2Confident18 Ų1861 Ų619%0.09430%0.304CS..Iπ-helixtrans-83.7-29.7-179.9-68.2175.8000114L410 F450 I454 I461 I600L410-L465 HydrophobicContact CD1-CD1 4.37Å; L410-L465 HydrophobicContact CD1-CD2 4.42Å; L410-L465 HydrophobicContact CD1-CG 4.03Å; L410-L465 HydrophobicContact CD2-CD2 3.68Å; L410-L465 HydrophobicContact CD2-CG 4.21Å; F450-L465 HydrophobicContact CD1-CD1 4.08Å; F450-L465 HydrophobicContact CD1-CD2 4.1Å; F450-L465 HydrophobicContact CE1-CD2 3.89Å; I454-L465 HydrophobicContact CG1-CD1 4.34Å; I461-L465 HydrophobicContact CG2-CD1 3.84Å; I461-L465 WeakPolarHBondContact O-CB 3.46Å; I461-L465 WeakPolarHBondContact O-CG 3Å; I461-L465 PolarHBondContact O-N 3.39Å; L465-I600 HydrophobicContact CD1-CD1 4.37Å
466V71Confident69.2Low8 Ų865.5 Ų65.55%0.04833%0.33CS..Iπ-helixtrans-120.4-56.5-169.8-177.70000111.6L462 G469 L470 L596 F599L462-V466 WeakPolarHBondContact O-CA 3.35Å; L462-V466 VanDerWaalsContact O-CB 3.29Å; L462-V466 WeakPolarHBondContact O-CB 3.26Å; L462-V466 PolarHBondContact O-N 3.41Å; V466-G469 PolarHBondContact O-N 2.81Å; V466-L470 HydrophobicContact CG1-CD1 3.79Å; V466-L470 WeakPolarHBondContact O-CG 3.37Å; V466-L470 PolarHBondContact O-N 2.96Å; V466-L596 HydrophobicContact CG2-CD1 4.34Å; V466-L596 HydrophobicContact CG2-CD2 3.71Å; V466-L596 HydrophobicContact CG2-CG 3.8Å; V466-F599 HydrophobicContact CG1-CD1 3.85Å; V466-F599 HydrophobicContact CG1-CE1 3.75Å; V466-F599 HydrophobicContact CG2-CD1 4.48Å
467L69.4Low66.9Low85 Ų8570.6 Ų70.645%0.44535%0.354SS..Iπ-helixtrans-70.3-38.9-168-58179.6000112.8L462 H463 G469 L470 E471L462-L467 PolarHBondContact O-N 3.5Å; H463-L467 HydrophobicContact CB-CD1 4.37Å; H463-L467 PolarHBondContact O-N 3.43Å; H463-L467 VanDerWaalsContact O-N 3.1Å; L467-G469 PolarHBondContact O-N 3.17Å; L467-L470 HydrophobicContact CD2-CD1 4.44Å; L467-L470 PolarHBondContact O-N 2.93Å; L467-E471 PolarHBondContact O-N 3.21Å; L467-E471 VanDerWaalsContact O-N 3.1Å
468R71.2Confident64.6Low8 Ų872.4 Ų72.43%0.0336%0.357CS..Hα-helixtrans-57.5-34.2177.2-72.5179.175.6-1792.3113.2D413 E415 E417 H463D413-R468 PolarHBondContact O-NH1 3.35Å; D413-R468 VanDerWaalsContact O-NH1 3.16Å; E415-R468 PolarHBondContact O-NE 2.94Å; E415-R468 PolarHBondContact O-NH2 2.78Å; E417-R468 HydrophobicContact CG-CB 4.41Å; H463-R468 WeakPolarHBondContact O-CG 3.47Å; H463-R468 PolarHBondContact O-N 2.81Å
469G61.1Low62.1Low25 Ų2578.9 Ų78.926%0.25838%0.383SS..Hα-helixtrans-83.5-12.9178.700000114.5V466 L467 R473V466-G469 PolarHBondContact O-N 2.81Å; L467-G469 PolarHBondContact O-N 3.17Å; G469-R473 PolarHBondContact O-NE 3.32Å
470L61.5Low59.9Low20 Ų2076 Ų7611%0.10538%0.38CS..Hα-helixtrans-94.3-27.6178.5-74.3173.2000112.7V466 L467 E472 R473 Y475 F549 L552 F599V466-L470 HydrophobicContact CG1-CD1 3.79Å; V466-L470 WeakPolarHBondContact O-CG 3.37Å; V466-L470 PolarHBondContact O-N 2.96Å; L467-L470 HydrophobicContact CD2-CD1 4.44Å; L467-L470 PolarHBondContact O-N 2.93Å; L470-E472 VanDerWaalsContact C-N 3.35Å; L470-E472 PolarHBondContact O-N 2.96Å; L470-R473 PolarHBondContact O-N 3.5Å; L470-Y475 HydrophobicContact CB-CD2 4.43Å; L470-Y475 HydrophobicContact CD2-CD2 3.76Å; L470-Y475 HydrophobicContact CD2-CE2 3.37Å; L470-F549 HydrophobicContact CD1-CE1 3.96Å; L470-F549 HydrophobicContact CD1-CZ 4.47Å; L470-L552 HydrophobicContact CD2-CD1 3.86Å; L470-F599 HydrophobicContact CD1-CE1 4.26Å; L470-F599 HydrophobicContact CD1-CZ 4.03Å; L470-F599 HydrophobicContact CD2-CE1 4.23Å; L470-F599 HydrophobicContact CD2-CE2 3.92Å; L470-F599 HydrophobicContact CD2-CZ 3.31Å; L470-F599 HydrophobicContact CG-CE1 4.1Å; L470-F599 HydrophobicContact CG-CZ 3.67Å
471E54.9Low57.5Low116 Ų11684.8 Ų84.854%0.54242%0.421SS..Hα-helixtrans-62.1-38.8-174-158169.4-150.700112.5L467 R473L467-E471 PolarHBondContact O-N 3.21Å; L467-E471 VanDerWaalsContact O-N 3.1Å; E471-R473 PolarHBondContact O-N 2.76Å
472E52.8Low55.4Low82 Ų8293.2 Ų93.238%0.38346%0.461SS..THydrogen-bonded Turntrans-72.4-14.1176-61.7-17015700114.3A416 L470 N474 R610A416-E472 HydrophobicContact CB-CG 3.96Å; L470-E472 VanDerWaalsContact C-N 3.35Å; L470-E472 PolarHBondContact O-N 2.96Å; E472-N474 VanDerWaalsContact C-N 3.33Å; E472-N474 PolarHBondContact O-N 2.82Å; E472-R610 IonicContact OE2-CZ 3.77Å; E472-R610 IonicContact OE2-NH1 2.76Å; E472-R610 PolarHBondContact OE2-NH1 3.33Å; E472-R610 IonicContact OE2-NH2 3.9Å
473R54.3Low53.4Low97 Ų9798.8 Ų98.837%0.36649%0.485SS..THydrogen-bonded Turntrans-92.310.1-171.5-63.5-167.5-171.2-165.54.4113.2G469 L470 E471 Y475G469-R473 PolarHBondContact O-NE 3.32Å; L470-R473 PolarHBondContact O-N 3.5Å; E471-R473 PolarHBondContact O-N 2.76Å; R473-Y475 VanDerWaalsContact C-N 3.25Å; R473-Y475 HydrophobicContact CB-CD2 3.68Å; R473-Y475 HydrophobicContact CB-CE1 4.44Å; R473-Y475 HydrophobicContact CB-CE2 3.12Å; R473-Y475 WeakPolarHBondContact CD-OH 3.24Å; R473-Y475 HydrophobicContact CG-CE2 3.99Å; R473-Y475 PolarHBondContact O-N 2.92Å; R473-Y475 VanDerWaalsContact O-N 3.13Å
474N44.7Very low51.3Low123 Ų123108 Ų10866%0.65852%0.517SS*.THydrogen-bonded Turntrans52.731.4172.1-69.7-32.2000115.6E472 L476 E477E472-N474 VanDerWaalsContact C-N 3.33Å; E472-N474 PolarHBondContact O-N 2.82Å; N474-L476 PolarHBondContact O-N 3.44Å; N474-L476 VanDerWaalsContact O-N 3.12Å; N474-E477 PolarHBondContact O-N 3.31Å
475Y50.3Low49.2Very low119 Ų119116.9 Ų116.947%0.46756%0.559SS.*THydrogen-bonded Turntrans-70.1-5.8177.9-59.3-65.8000114.5L470 R473 L552L470-Y475 HydrophobicContact CB-CD2 4.43Å; L470-Y475 HydrophobicContact CD2-CD2 3.76Å; L470-Y475 HydrophobicContact CD2-CE2 3.37Å; R473-Y475 VanDerWaalsContact C-N 3.25Å; R473-Y475 HydrophobicContact CB-CD2 3.68Å; R473-Y475 HydrophobicContact CB-CE1 4.44Å; R473-Y475 HydrophobicContact CB-CE2 3.12Å; R473-Y475 WeakPolarHBondContact CD-OH 3.24Å; R473-Y475 HydrophobicContact CG-CE2 3.99Å; R473-Y475 PolarHBondContact O-N 2.92Å; R473-Y475 VanDerWaalsContact O-N 3.13Å; Y475-L552 HydrophobicContact CE1-CD1 4.4Å; Y475-L552 HydrophobicContact CE1-CD2 3.79Å; Y475-L552 HydrophobicContact CE2-CD1 4.11Å; Y475-L552 HydrophobicContact CE2-CD2 4.49Å; Y475-L552 WeakPolarHBondContact OH-CD2 3.48Å
476L43.5Very low47.1Very low172 Ų172125.3 Ų125.390%0.90160%0.598SS**THydrogen-bonded Turntrans-88.6-6.6-178.7-80.8163.7000114.1N474N474-L476 PolarHBondContact O-N 3.44Å; N474-L476 VanDerWaalsContact O-N 3.12Å
477E37.1Very low45.3Very low142 Ų142136.4 Ų136.466%0.66464%0.639SS**  trans-107.184.8-174.2-148.3161.5-14200111.9N474N474-E477 PolarHBondContact O-N 3.31Å
478N37.1Very low43.3Very low157 Ų157141.5 Ų141.584%0.8466%0.66SS**  trans-114.467.4151.2-149.86.7000108
479K30.9Very low41.4Very low167 Ų167146.9 Ų146.973%0.72670%0.696SS**  trans-82.2119.1159.2-86.7178.3173.2165.40106.5Q481K479-Q481 PolarHBondContact O-N 3.12Å
480P37.3Very low40.3Very low117 Ų117154 Ų15476%0.7673%0.728SS**  trans-60.3114.2171.923-29.5000108.2E482P480-E482 PolarHBondContact O-N 3.02Å; P480-E482 VanDerWaalsContact O-N 3.09Å
481Q34.9Very low38.7Very low195 Ų195161.3 Ų161.391%0.91176%0.761SS**  trans-81.372.2175-174.5177.5-31.700108.5K479K479-Q481 PolarHBondContact O-N 3.12Å
482E39.2Very low37.6Very low180 Ų180162.9 Ų162.984%0.84177%0.773SS**  trans-141.6141.4161.7-68.2-173.1171.800107.1P480P480-E482 PolarHBondContact O-N 3.02Å; P480-E482 VanDerWaalsContact O-N 3.09Å
483E36.6Very low36.4Very low195 Ų195162.8 Ų162.891%0.91179%0.794SS**SBendtrans89.249.7-173-50.6-175.7-175.800117.6
484R34.5Very low35Very low240 Ų240167.2 Ų167.291%0.90682%0.819SS**  trans-151.674.6143.1-169.1175.9-84.3-118.1-0.1111.8
485E34.1Very low35.1Very low189 Ų189166.1 Ų166.188%0.88382%0.819SS**SBendtrans167.9116.5162.3-97163-150.400102.7
486E32Very low34Very low195 Ų195168 Ų16891%0.91183%0.831SS**  cis-144.1170.416.6-74.8178.8129.300109.3
487R32.9Very low33.1Very low241 Ų241166.3 Ų166.391%0.90982%0.824SS**  trans-105.4105.2-170.8-176.3-167-149.2170.74.6108.1
488E28.1Very low32.7Very low191 Ų191163.4 Ų163.489%0.89382%0.823SS**  trans-140.2144.5157.9-74.4-155.5159.100112.3
489P32.6Very low32.4Very low122 Ų122162 Ų16279%0.79282%0.82SS**  trans-93147-166.312.67.8000112.6
490L36Very low32.3Very low174 Ų174160 Ų16091%0.91182%0.818SS**  trans-54.4141.6174.8-70.194.9000113.4
491E29.6Very low32.2Very low174 Ų174160.8 Ų160.881%0.81382%0.815SS**  trans-150.2116.5144.3-132-173.8151.100113.5
492N31.4Very low32.2Very low148 Ų148158.8 Ų158.879%0.79181%0.806SS**  trans60.6122.2148.1-67-22.4000123
493G28.3Very low31.7Very low80 Ų80158.9 Ų158.983%0.82581%0.806SS**  trans121.291.9132.400000118.5
494Q24.9Very low31.5Very low190 Ų190156.2 Ų156.289%0.88880%0.798SS**  trans-61.5176.4154.5-88.3-175.7-58.400112.1
495P45.4Very low31.9Very low101 Ų101149.4 Ų149.466%0.65679%0.785SS**  -135.1175.3-53.736.2-17.3000110.9
496H27.6Very low31.7Very low157 Ų157148.3 Ų148.373%0.72778%0.784SS**  trans159140.6131-117.8-101000114.1
497D24.7Very low31.7Very low138 Ų138148.7 Ų148.774%0.73878%0.783SS**  trans80.1125137.7-90.1-13.7000124.7
498A28.2Very low31.4Very low80 Ų80140.8 Ų140.866%0.66178%0.777SS**  106.3106.6120.200000119.5
499V31.2Very low31.4Very low128 Ų128139.1 Ų139.178%0.77677%0.774SS**  40.8125.1123.8-138.60000119.8
500D28.1Very low31.1Very low126 Ų126139.8 Ų139.867%0.67477%0.771SS**  166.4126.4114.4-102.7-2.1000110.9
501L36.7Very low30.7Very low132 Ų132138.8 Ų138.869%0.69177%0.766SS**  65.9139.399.3-60.5176.1000112.4
502E33.9Very low30.5Very low154 Ų154135.7 Ų135.772%0.7276%0.763SS**  cis-175.3175.111.9-126.8175-163.300108.4
503E29.6Very low31.4Very low182 Ų182133.7 Ų133.785%0.8576%0.758SS**  trans92.8102.7154.1-73.8178.3157.800122.5
504D31.4Very low31.2Very low139 Ų139136.9 Ų136.974%0.74376%0.756SS**  trans-86.9156.9143-164.939.1000107.1
505P43.7Very low31.4Very low96 Ų96132.5 Ų132.562%0.62375%0.746SS**  -154.4169.850.939.1-15.4000118.2
506L30.1Very low30.4Very low166 Ų166138.1 Ų138.187%0.86975%0.754SS**  177124.2124.7-93.4158.5000113.8
507F30.5Very low30.4Very low204 Ų204137.9 Ų137.990%0.89576%0.758SS**  trans-67.3157171.9-78.5-104.4000113.9
508G28.4Very low30.5Very low75 Ų75137.2 Ų137.277%0.77376%0.764SS**  trans169107.7154.600000115.1
509D27.8Very low30.6Very low156 Ų156136.8 Ų136.883%0.83477%0.767SS**  trans-50.3151.8174.4-61.2-55.8000115
510D26.1Very low30.7Very low135 Ų135136 Ų13672%0.72277%0.767SS**  156141.291-125.4-15.7000114.2
511L27Very low30.6Very low154 Ų154136.5 Ų136.581%0.80677%0.77SS**  trans72117.9152.1-55.8169.7000122.8
512S26.5Very low30.5Very low108 Ų108142.4 Ų142.476%0.75578%0.783SS**  trans-76.1-173.6159.886.10000112.7
513P49.3Very low30.4Very low106 Ų106143.7 Ų143.769%0.68879%0.794SS**  cis-135.5-168.5-16.732.8-10.4000113.3
514D24.8Very low30.7Very low148 Ų148138.2 Ų138.279%0.79179%0.786SS**  trans104.5100.3158.2-72.4-23.7000120.7
515S27.8Very low30.4Very low97 Ų97137.3 Ų137.368%0.67879%0.791SS**  64103.3117.5-154.80000118.9
516R24.6Very low29.6Very low219 Ų219138.1 Ų138.183%0.82680%0.799SS**  164.9122.8105.9-89.2-178175.5145-1113.6
517L28.6Very low29.6Very low153 Ų153136.1 Ų136.180%0.80180%0.796SS**  trans76.3137.4134.3-59.5172.3000122.2
518S25.4Very low29.4Very low124 Ų124135.8 Ų135.887%0.86780%0.797SS**  trans94.2120.3164.1-54.20000113.2
519G30.3Very low29.4Very low71 Ų71140.8 Ų140.873%0.73280%0.8SS**  cis120.5126.331.400000106.1
520S34Very low29.3Very low111 Ų111138 Ų13878%0.77679%0.793SS**  trans81.4117.3-172.3-160.40000114.8
521D27.1Very low29.8Very low136 Ų136137.1 Ų137.173%0.72779%0.794SS**  trans151.567.4141.3-72.2-7000110.2
522W33.8Very low30Very low257 Ų257136.4 Ų136.497%0.97379%0.791SS**  trans-102.322.2169.9-84.484.2000112.7
523L32.6Very low30.3Very low180 Ų180140 Ų14094%0.94280%0.796SS**SBendtrans-117.775.8169.6-71.3172.7000109.1
524G34.8Very low29.7Very low67 Ų67140 Ų14069%0.69180%0.798SS**  trans150.180.2169.600000113.7
525S25.4Very low30Very low120 Ų120142.3 Ų142.384%0.83980%0.801SS**  trans-159.794.1148.8-8.10000109.5
526S26.2Very low30.6Very low113 Ų113143.6 Ų143.679%0.7981%0.811SS**PPolyproline II helixtrans-64.3144.4154-58.20000108.6Q528S526-Q528 PolarHBondContact O-N 3.05Å
527P31.2Very low31.2Very low125 Ų125137.6 Ų137.681%0.81280%0.795SS**PPolyproline II helixtrans-66.1135.5172.7-1327.3000110.1H529P527-H529 PolarHBondContact O-N 3.37Å
528Q26.4Very low31.9Very low196 Ų196132.7 Ų132.792%0.91678%0.781SS**PPolyproline II helixtrans-59.8131.3174.7-71.8-178.6-28.900111S526S526-Q528 PolarHBondContact O-N 3.05Å
529H28.3Very low32.7Very low181 Ų181134 Ų13484%0.83877%0.771SS**PPolyproline II helixtrans-80.2120.5179-152.2-66.8000109.7P527P527-H529 PolarHBondContact O-N 3.37Å
530S26Very low33.8Very low96 Ų96134.3 Ų134.367%0.67176%0.759SS**PPolyproline II helixtrans-83.6141.1161.651.10000109.5D532S530-D532 PolarHBondContact O-N 3.45Å
531P35.8Very low34.6Very low117 Ų117134.9 Ų134.976%0.7675%0.749SS**  trans-94.888.6-177.234.8-27.2000109.2
532D30.9Very low35.8Very low139 Ų139131.6 Ų131.674%0.74373%0.734SS**  trans-173.1112.1148.9-104.7-27.7000108.5S530S530-D532 PolarHBondContact O-N 3.45Å
533H32.5Very low36.7Very low184 Ų184122.3 Ų122.385%0.85270%0.702SS**  trans174.3106.4130.5-87.8-54.3000110.6
534S36.5Very low37.8Very low105 Ų105120.1 Ų120.173%0.73469%0.685SS**  trans-62.6125.1157.655.70000111.1
535K32.2Very low38.8Very low197 Ų197121 Ų12186%0.85767%0.672SS**SBendtrans130.9111.4158-75.6172.6-178.4178.80110.4D537K535-D537 PolarHBondContact O-N 3.43Å
536S39.3Very low40.3Very low125 Ų125116.2 Ų116.287%0.87464%0.638SS**  trans-65.293.4174.861.70000110.3
537D38.3Very low41.9Very low92 Ų92112.9 Ų112.949%0.49261%0.612SS.*  trans-82.5119.3169.8-169.312000108.1K535 K539 T540K535-D537 PolarHBondContact O-N 3.43Å; D537-K539 PolarHBondContact O-N 3.04Å; D537-T540 PolarHBondContact O-N 2.99Å; D537-T540 PolarHBondContact O-OG1 3.32Å
538G43.2Very low43.1Very low50 Ų50110.4 Ų110.452%0.51560%0.597SS.*Hα-helixtrans-55.6-15.6-178.600000114.1T540 E541 V542G538-T540 VanDerWaalsContact C-N 3.33Å; G538-T540 PolarHBondContact O-N 3.46Å; G538-E541 PolarHBondContact O-N 3.04Å; G538-V542 PolarHBondContact O-N 3.38Å
539K42.4Very low44.5Very low152 Ų152104.9 Ų104.966%0.66157%0.57SS**Hα-helixtrans-62-33.2168.7-79.7173.2175.5171.80114.1D537 H543D537-K539 PolarHBondContact O-N 3.04Å; K539-H543 WeakPolarHBondContact O-CB 3.29Å; K539-H543 PolarHBondContact O-N 3.19Å; K539-H543 VanDerWaalsContact O-N 3.08Å
540T52.7Low46Very low78 Ų7897.6 Ų97.648%0.47954%0.537SS..Hα-helixtrans-73.1-31.2177.938.90000113.2D537 G538 K544D537-T540 PolarHBondContact O-N 2.99Å; D537-T540 PolarHBondContact O-OG1 3.32Å; G538-T540 VanDerWaalsContact C-N 3.33Å; G538-T540 PolarHBondContact O-N 3.46Å; T540-K544 VanDerWaalsContact O-CG 3.25Å; T540-K544 WeakPolarHBondContact O-CG 3.41Å; T540-K544 PolarHBondContact O-N 3.32Å; T540-K544 VanDerWaalsContact O-N 3.09Å
541E50.3Low47.5Very low122 Ų12298 Ų9857%0.5754%0.539SS*.Hα-helixtrans-65.2-49.4172.8-76.4-88.7125.400110.9G538 H543 K544 I545G538-E541 PolarHBondContact O-N 3.04Å; E541-H543 VanDerWaalsContact C-N 3.33Å; E541-H543 PolarHBondContact O-N 3.06Å; E541-K544 PolarHBondContact O-N 2.91Å; E541-I545 VanDerWaalsContact O-CG1 3.26Å; E541-I545 WeakPolarHBondContact O-CG1 3.32Å; E541-I545 PolarHBondContact O-N 3.27Å
542V52Low48.3Very low68 Ų6894.4 Ų94.441%0.41251%0.513SS..Hα-helixtrans-62-41.7178.5178.50000111.3G538 K544 I545 V546 Y568G538-V542 PolarHBondContact O-N 3.38Å; V542-K544 VanDerWaalsContact C-N 3.34Å; V542-K544 PolarHBondContact O-N 3.48Å; V542-I545 PolarHBondContact O-N 3.33Å; V542-V546 HydrophobicContact CG1-CG2 4.21Å; V542-V546 WeakPolarHBondContact O-CB 3.22Å; V542-V546 VanDerWaalsContact O-CG2 3.31Å; V542-V546 WeakPolarHBondContact O-CG2 3.49Å; V542-V546 PolarHBondContact O-N 3.06Å; V542-Y568 HydrophobicContact CG1-CE2 4.17Å
543H54.1Low49.2Very low62 Ų6288.4 Ų88.429%0.28748%0.481SS..Hα-helixtrans-59.5-43.8175.9-168.6100000111.9K539 E541 N547 Y568K539-H543 WeakPolarHBondContact O-CB 3.29Å; K539-H543 PolarHBondContact O-N 3.19Å; K539-H543 VanDerWaalsContact O-N 3.08Å; E541-H543 VanDerWaalsContact C-N 3.33Å; E541-H543 PolarHBondContact O-N 3.06Å; H543-N547 PolarHBondContact CD2-ND2 2.93Å; H543-N547 PolarHBondContact NE2-ND2 3.45Å; H543-N547 WeakPolarHBondContact O-CB 3.26Å; H543-N547 PolarHBondContact O-N 3.31Å; H543-N547 PolarHBondContact O-ND2 3.26Å; H543-Y568 HydrophobicContact CB-CD1 4.42Å; H543-Y568 HydrophobicContact CB-CD2 4.45Å; H543-Y568 HydrophobicContact CB-CE1 4.39Å; H543-Y568 HydrophobicContact CB-CG 4.4Å; H543-Y568 WeakPolarHBondContact CE1-CB 3.41Å; H543-Y568 AromaticContact CE1-CD1 3.49Å; H543-Y568 VanDerWaalsContact CE1-CD1 3.49Å; H543-Y568 WeakPolarHBondContact CE1-CD1 3.32Å; H543-Y568 AromaticContact CE1-CG 3.64Å; H543-Y568 AromaticContact CG-CD1 3.88Å; H543-Y568 AromaticContact CG-CG 3.85Å; H543-Y568 WeakPolarHBondContact ND1-CB 3.42Å; H543-Y568 AromaticContact ND1-CD1 2.91Å; H543-Y568 WeakPolarHBondContact ND1-CD1 3.39Å; H543-Y568 AromaticContact ND1-CE1 3.5Å; H543-Y568 AromaticContact ND1-CG 3.21Å
544K54.3Low50Low134 Ų13481.6 Ų81.658%0.58345%0.454SS*.Hα-helixtrans-66.4-44.6176.7-73.6173.2-177.6-177.70112.3T540 E541 V542 S548T540-K544 VanDerWaalsContact O-CG 3.25Å; T540-K544 WeakPolarHBondContact O-CG 3.41Å; T540-K544 PolarHBondContact O-N 3.32Å; T540-K544 VanDerWaalsContact O-N 3.09Å; E541-K544 PolarHBondContact O-N 2.91Å; V542-K544 VanDerWaalsContact C-N 3.34Å; V542-K544 PolarHBondContact O-N 3.48Å; K544-S548 WeakPolarHBondContact O-CB 3.12Å; K544-S548 PolarHBondContact O-N 3.22Å; K544-S548 PolarHBondContact O-OG 3.49Å
545I55.9Low50.7Low84 Ų8481.4 Ų81.443%0.43144%0.444SS..Hα-helixtrans-61.2-51.2178.8-68.5164.3000109.8E541 V542 N547 S548 F549E541-I545 VanDerWaalsContact O-CG1 3.26Å; E541-I545 WeakPolarHBondContact O-CG1 3.32Å; E541-I545 PolarHBondContact O-N 3.27Å; V542-I545 PolarHBondContact O-N 3.33Å; I545-N547 PolarHBondContact O-N 3.39Å; I545-S548 WeakPolarHBondContact O-CB 3.29Å; I545-S548 PolarHBondContact O-N 3.24Å; I545-S548 VanDerWaalsContact O-N 3.12Å; I545-F549 HydrophobicContact CG2-CD2 3.89Å; I545-F549 HydrophobicContact CG2-CE2 3.8Å; I545-F549 VanDerWaalsContact O-CD2 3.28Å; I545-F549 WeakPolarHBondContact O-CD2 3.42Å; I545-F549 PolarHBondContact O-N 3.27Å
546V57.5Low51.3Low21 Ų2178.5 Ų78.513%0.12743%0.434CS..Hα-helixtrans-65.3-41.8-178.2171.70000111.4V542 S548 F549 L550 Y568 Y571V542-V546 HydrophobicContact CG1-CG2 4.21Å; V542-V546 WeakPolarHBondContact O-CB 3.22Å; V542-V546 VanDerWaalsContact O-CG2 3.31Å; V542-V546 WeakPolarHBondContact O-CG2 3.49Å; V542-V546 PolarHBondContact O-N 3.06Å; V546-S548 VanDerWaalsContact C-N 3.28Å; V546-S548 PolarHBondContact O-N 3.31Å; V546-F549 PolarHBondContact O-N 3.48Å; V546-L550 HydrophobicContact CG1-CD1 3.97Å; V546-L550 HydrophobicContact CG1-CG 4.29Å; V546-L550 VanDerWaalsContact O-CG 3.29Å; V546-L550 WeakPolarHBondContact O-CG 3.24Å; V546-L550 PolarHBondContact O-N 3.47Å; V546-Y568 HydrophobicContact CB-CD2 3.55Å; V546-Y568 HydrophobicContact CB-CE2 3.79Å; V546-Y568 HydrophobicContact CG1-CD2 3.51Å; V546-Y568 HydrophobicContact CG1-CE2 4.01Å; V546-Y568 HydrophobicContact CG2-CD2 4.19Å; V546-Y568 HydrophobicContact CG2-CE2 3.89Å; V546-Y571 HydrophobicContact CG1-CD1 3.63Å; V546-Y571 HydrophobicContact CG1-CE1 3.79Å; V546-Y571 HydrophobicContact CG1-CG 4.24Å
547N60Low51.6Low43 Ų4374.6 Ų74.623%0.2341%0.409CS..Hα-helixtrans-61.8-38173-79.3-23000112.1H543 I545 F549 L550 C551 Y568H543-N547 PolarHBondContact CD2-ND2 2.93Å; H543-N547 PolarHBondContact NE2-ND2 3.45Å; H543-N547 WeakPolarHBondContact O-CB 3.26Å; H543-N547 PolarHBondContact O-N 3.31Å; H543-N547 PolarHBondContact O-ND2 3.26Å; I545-N547 PolarHBondContact O-N 3.39Å; N547-F549 VanDerWaalsContact C-N 3.32Å; N547-F549 PolarHBondContact O-N 3.04Å; N547-L550 PolarHBondContact O-N 3.4Å; N547-C551 PolarHBondContact O-N 3.34Å; N547-C551 PolarHBondContact O-SG 3.18Å; N547-Y568 WeakPolarHBondContact OD1-CB 3.48Å; N547-Y568 PolarHBondContact OD1-N 3.11Å
548S55.6Low52.4Low72 Ų7271.9 Ų71.950%0.50339%0.392SS..Hα-helixtrans-61.3-41.2175.6-56.30000111.3K544 I545 V546 L552K544-S548 WeakPolarHBondContact O-CB 3.12Å; K544-S548 PolarHBondContact O-N 3.22Å; K544-S548 PolarHBondContact O-OG 3.49Å; I545-S548 WeakPolarHBondContact O-CB 3.29Å; I545-S548 PolarHBondContact O-N 3.24Å; I545-S548 VanDerWaalsContact O-N 3.12Å; V546-S548 VanDerWaalsContact C-N 3.28Å; V546-S548 PolarHBondContact O-N 3.31Å; S548-L552 WeakPolarHBondContact O-CG 3.32Å
549F57.2Low52.7Low80 Ų8073.5 Ų73.535%0.35140%0.396SS..Hα-helixtrans-67.7-40.5173-82.5-78.6000112.9L470 I545 V546 N547 C551 L552L470-F549 HydrophobicContact CD1-CE1 3.96Å; L470-F549 HydrophobicContact CD1-CZ 4.47Å; I545-F549 HydrophobicContact CG2-CD2 3.89Å; I545-F549 HydrophobicContact CG2-CE2 3.8Å; I545-F549 VanDerWaalsContact O-CD2 3.28Å; I545-F549 WeakPolarHBondContact O-CD2 3.42Å; I545-F549 PolarHBondContact O-N 3.27Å; V546-F549 PolarHBondContact O-N 3.48Å; N547-F549 VanDerWaalsContact C-N 3.32Å; N547-F549 PolarHBondContact O-N 3.04Å; F549-C551 VanDerWaalsContact C-N 3.26Å; F549-C551 PolarHBondContact O-N 2.99Å; F549-L552 WeakPolarHBondContact O-CB 3.48Å; F549-L552 PolarHBondContact O-N 3.5Å
550L60Low52.9Low29 Ų2967.3 Ų67.315%0.15237%0.372CS..Hα-helixtrans-65-29.2178.2-70.7171.5000112.6V546 N547 L552 V553 K558 Y571V546-L550 HydrophobicContact CG1-CD1 3.97Å; V546-L550 HydrophobicContact CG1-CG 4.29Å; V546-L550 VanDerWaalsContact O-CG 3.29Å; V546-L550 WeakPolarHBondContact O-CG 3.24Å; V546-L550 PolarHBondContact O-N 3.47Å; N547-L550 PolarHBondContact O-N 3.4Å; L550-L552 PolarHBondContact O-N 3.46Å; L550-V553 PolarHBondContact O-N 3.34Å; L550-K558 WeakPolarHBondContact O-CE 3.25Å; L550-Y571 HydrophobicContact CD1-CG 4.38Å; L550-Y571 HydrophobicContact CD2-CD2 4.23Å; L550-Y571 HydrophobicContact CD2-CG 4.4Å
551C56Low52.6Low103 Ų10371.3 Ų71.370%0.69638%0.38SS*.THydrogen-bonded Turntrans-68.8-19.3171.8-70.10000113.4N547 F549N547-C551 PolarHBondContact O-N 3.34Å; N547-C551 PolarHBondContact O-SG 3.18Å; F549-C551 VanDerWaalsContact C-N 3.26Å; F549-C551 PolarHBondContact O-N 2.99Å
552L52.6Low52.3Low43 Ų4374.3 Ų74.323%0.22539%0.393CS..THydrogen-bonded Turntrans-90-11.7178.1-56.9176.8000113.3L470 Y475 S548 F549 L550 F599L470-L552 HydrophobicContact CD2-CD1 3.86Å; Y475-L552 HydrophobicContact CE1-CD1 4.4Å; Y475-L552 HydrophobicContact CE1-CD2 3.79Å; Y475-L552 HydrophobicContact CE2-CD1 4.11Å; Y475-L552 HydrophobicContact CE2-CD2 4.49Å; Y475-L552 WeakPolarHBondContact OH-CD2 3.48Å; S548-L552 WeakPolarHBondContact O-CG 3.32Å; F549-L552 WeakPolarHBondContact O-CB 3.48Å; F549-L552 PolarHBondContact O-N 3.5Å; L550-L552 PolarHBondContact O-N 3.46Å; L552-F599 HydrophobicContact CB-CD2 4.01Å; L552-F599 HydrophobicContact CB-CE2 3.7Å; L552-F599 HydrophobicContact CD1-CE2 3.73Å; L552-F599 HydrophobicContact CG-CE2 4.34Å
553V50.8Low51.8Low12 Ų1274.4 Ų74.47%0.07339%0.394CS..SBendtrans-82.6123.3176.3-1770000108L550 A557 K558L550-V553 PolarHBondContact O-N 3.34Å; V553-A557 HydrophobicContact CG1-CB 3.78Å; V553-K558 HydrophobicContact CB-CG 4.49Å; V553-K558 HydrophobicContact CG1-CG 4.04Å; V553-K558 WeakPolarHBondContact O-CE 3.48Å
554P49.4Very low51Low42 Ų4281.3 Ų81.327%0.27343%0.426SS..  trans-53.6144.6173-23.832.5000110.5E556 A557 K558 A602P554-E556 VanDerWaalsContact CB-OE2 3.31Å; P554-E556 WeakPolarHBondContact CB-OE2 3.48Å; P554-E556 PolarHBondContact O-N 2.99Å; P554-A557 PolarHBondContact O-N 3.3Å; P554-K558 PolarHBondContact O-N 3.37Å; P554-A602 HydrophobicContact CG-CB 3.56Å
555D50.6Low50.8Low100 Ų10077.1 Ų77.154%0.53542%0.42SS..G310 helixtrans-58.4-26.7-179.2-71.2-31.6000111.5A557 K558D555-A557 VanDerWaalsContact C-N 3.29Å; D555-A557 PolarHBondContact O-N 2.8Å; D555-K558 PolarHBondContact O-N 3.47Å; D555-K558 WeakPolarHBondContact OD1-CE 3.5Å; D555-K558 IonicContact OD1-NZ 3.19Å; D555-K558 PolarHBondContact OD1-NZ 3.28Å
556E45.6Very low50.6Low137 Ų13777.2 Ų77.264%0.6443%0.425SS*.G310 helixtrans-70.2-24.1178.3-57.774.1-162.100114.3P554 Y561P554-E556 VanDerWaalsContact CB-OE2 3.31Å; P554-E556 WeakPolarHBondContact CB-OE2 3.48Å; P554-E556 PolarHBondContact O-N 2.99Å; E556-Y561 WeakPolarHBondContact CA-OH 3.19Å; E556-Y561 PolarHBondContact O-OH 3.19Å
557A45.3Very low50.7Low42 Ų4277.1 Ų77.135%0.34743%0.429SS..G310 helixtrans-96.1-4.2179.700000112.7V553 P554 D555V553-A557 HydrophobicContact CG1-CB 3.78Å; P554-A557 PolarHBondContact O-N 3.3Å; D555-A557 VanDerWaalsContact C-N 3.29Å; D555-A557 PolarHBondContact O-N 2.8Å
558K54Low50.6Low35 Ų3576.7 Ų76.715%0.15242%0.424CS..  trans-77.3127.5177.5-66.1178-171.9164.90109.4L550 V553 P554 D555 S560 T566L550-K558 WeakPolarHBondContact O-CE 3.25Å; V553-K558 HydrophobicContact CB-CG 4.49Å; V553-K558 HydrophobicContact CG1-CG 4.04Å; V553-K558 WeakPolarHBondContact O-CE 3.48Å; P554-K558 PolarHBondContact O-N 3.37Å; D555-K558 PolarHBondContact O-N 3.47Å; D555-K558 WeakPolarHBondContact OD1-CE 3.5Å; D555-K558 IonicContact OD1-NZ 3.19Å; D555-K558 PolarHBondContact OD1-NZ 3.28Å; K558-S560 PolarHBondContact O-N 2.93Å; K558-T566 HydrophobicContact CD-CG2 3.98Å
559S49.5Very low50.8Low85 Ų8577.9 Ų77.959%0.59443%0.425SS*.SBendtrans-60-14.817952.40000114.1D574S559-D574 PolarHBondContact OG-OD2 3.01Å
560S48.4Very low51.2Low22 Ų2274.8 Ų74.815%0.15441%0.413CS..  trans-115.877.1-172.6670000112.4K558 H562K558-S560 PolarHBondContact O-N 2.93Å; S560-H562 PolarHBondContact O-N 3.36Å
561Y45.2Very low51.2Low162 Ų16274.6 Ų74.664%0.63541%0.41SS*.THydrogen-bonded Turntrans-70.4-0.8165.5-78-82.8000113.8E556E556-Y561 WeakPolarHBondContact CA-OH 3.19Å; E556-Y561 PolarHBondContact O-OH 3.19Å
562H43.7Very low51.4Low184 Ų18471.4 Ų71.485%0.85239%0.386SS*.THydrogen-bonded Turntrans-138.319.7-166.8-97.867.9000115.5S560S560-H562 PolarHBondContact O-N 3.36Å
563V41.6Very low51.9Low70 Ų7076.5 Ų76.542%0.42440%0.402SS..SBendtrans-128.3114.2170.3-174.10000108.2G565V563-G565 PolarHBondContact O-N 3.35Å
564E38.8Very low52.4Low208 Ų20878 Ų7897%0.97241%0.409SS*.SBendtrans-55110.1166.6-79.4178.8153.200108.2
565G49Very low52.6Low45 Ų4576 Ų7646%0.46440%0.396SS..  trans12470.9-174.400000112.8V563 G567 T570V563-G565 PolarHBondContact O-N 3.35Å; G565-G567 PolarHBondContact O-N 2.95Å; G565-G567 VanDerWaalsContact O-N 3.14Å; G565-T570 PolarHBondContact O-OG1 3.39Å
566T51.1Low52.8Low87 Ų8776.4 Ų76.453%0.53440%0.395SS..  trans-72.496.7162.656.10000108.1K558K558-T566 HydrophobicContact CD-CG2 3.98Å
567G60.8Low53.4Low19 Ų1979.1 Ų79.120%0.19640%0.399CS..SBendtrans-167.4176.5-175.200000113G565 D569 T570 Y571G565-G567 PolarHBondContact O-N 2.95Å; G565-G567 VanDerWaalsContact O-N 3.14Å; G567-D569 VanDerWaalsContact C-N 3.25Å; G567-D569 PolarHBondContact O-N 3.38Å; G567-D569 VanDerWaalsContact O-N 3.13Å; G567-T570 PolarHBondContact O-N 2.78Å; G567-T570 VanDerWaalsContact O-N 3.08Å; G567-Y571 PolarHBondContact O-N 3.3Å
568Y57.1Low53.7Low33 Ų3380.5 Ų80.513%0.12940%0.399CS..Hα-helixtrans-45-42.3-177-176.4-106.5000114.7V542 H543 V546 N547 Y571 L572V542-Y568 HydrophobicContact CG1-CE2 4.17Å; H543-Y568 HydrophobicContact CB-CD1 4.42Å; H543-Y568 HydrophobicContact CB-CD2 4.45Å; H543-Y568 HydrophobicContact CB-CE1 4.39Å; H543-Y568 HydrophobicContact CB-CG 4.4Å; H543-Y568 WeakPolarHBondContact CE1-CB 3.41Å; H543-Y568 AromaticContact CE1-CD1 3.49Å; H543-Y568 VanDerWaalsContact CE1-CD1 3.49Å; H543-Y568 WeakPolarHBondContact CE1-CD1 3.32Å; H543-Y568 AromaticContact CE1-CG 3.64Å; H543-Y568 AromaticContact CG-CD1 3.88Å; H543-Y568 AromaticContact CG-CG 3.85Å; H543-Y568 WeakPolarHBondContact ND1-CB 3.42Å; H543-Y568 AromaticContact ND1-CD1 2.91Å; H543-Y568 WeakPolarHBondContact ND1-CD1 3.39Å; H543-Y568 AromaticContact ND1-CE1 3.5Å; H543-Y568 AromaticContact ND1-CG 3.21Å; V546-Y568 HydrophobicContact CB-CD2 3.55Å; V546-Y568 HydrophobicContact CB-CE2 3.79Å; V546-Y568 HydrophobicContact CG1-CD2 3.51Å; V546-Y568 HydrophobicContact CG1-CE2 4.01Å; V546-Y568 HydrophobicContact CG2-CD2 4.19Å; V546-Y568 HydrophobicContact CG2-CE2 3.89Å; N547-Y568 WeakPolarHBondContact OD1-CB 3.48Å; N547-Y568 PolarHBondContact OD1-N 3.11Å; Y568-Y571 PolarHBondContact O-N 3.49Å; Y568-L572 HydrophobicContact CD1-CD1 3.54Å; Y568-L572 HydrophobicContact CD1-CG 4.32Å; Y568-L572 HydrophobicContact CE1-CD1 3.11Å; Y568-L572 HydrophobicContact CE1-CG 4.04Å; Y568-L572 HydrophobicContact CE2-CD1 4.39Å; Y568-L572 HydrophobicContact CG-CD1 4.39Å; Y568-L572 WeakPolarHBondContact O-CB 3.36Å; Y568-L572 PolarHBondContact O-N 2.88Å
569D60.8Low53.2Low98 Ų9880.2 Ų80.252%0.52440%0.4SS..Hα-helixtrans-74.5-28.3-175.2-63-54000113.3G567 R573G567-D569 VanDerWaalsContact C-N 3.25Å; G567-D569 PolarHBondContact O-N 3.38Å; G567-D569 VanDerWaalsContact O-N 3.13Å; D569-R573 WeakPolarHBondContact O-CB 3.49Å; D569-R573 WeakPolarHBondContact O-CG 3.44Å; D569-R573 PolarHBondContact O-N 3.18Å; D569-R573 PolarHBondContact O-NE 3.44Å
570T65.3Low53.3Low15 Ų1582.3 Ų82.39%0.09240%0.404CS..Hα-helixtrans-74.3-43.7172.9-58.90000109.9G565 G567 L572 R573 D574G565-T570 PolarHBondContact O-OG1 3.39Å; G567-T570 PolarHBondContact O-N 2.78Å; G567-T570 VanDerWaalsContact O-N 3.08Å; T570-L572 PolarHBondContact O-N 3.23Å; T570-R573 PolarHBondContact O-N 2.89Å; T570-R573 PolarHBondContact OG1-NH2 3.49Å; T570-D574 PolarHBondContact O-N 2.93Å
571Y60.2Low53.2Low25 Ų2585.7 Ų85.710%0.09843%0.428CS..Hα-helixtrans-58.6-45.9172.1165.1-96.2000112.6V546 L550 G567 Y568 R573 D574 A575 F591 P595V546-Y571 HydrophobicContact CG1-CD1 3.63Å; V546-Y571 HydrophobicContact CG1-CE1 3.79Å; V546-Y571 HydrophobicContact CG1-CG 4.24Å; L550-Y571 HydrophobicContact CD1-CG 4.38Å; L550-Y571 HydrophobicContact CD2-CD2 4.23Å; L550-Y571 HydrophobicContact CD2-CG 4.4Å; G567-Y571 PolarHBondContact O-N 3.3Å; Y568-Y571 PolarHBondContact O-N 3.49Å; Y571-R573 VanDerWaalsContact C-N 3.34Å; Y571-R573 PolarHBondContact O-N 2.8Å; Y571-D574 PolarHBondContact O-N 2.95Å; Y571-A575 VanDerWaalsContact O-CB 3.28Å; Y571-A575 WeakPolarHBondContact O-CB 3.46Å; Y571-A575 PolarHBondContact O-N 2.81Å; Y571-F591 HydrophobicContact CE1-CD1 4.23Å; Y571-F591 AromaticContact CE1-CE1 3.64Å; Y571-F591 HydrophobicContact CE1-CE1 3.64Å; Y571-F591 AromaticContact CE1-CZ 3.83Å; Y571-F591 HydrophobicContact CE1-CZ 3.83Å; Y571-F591 AromaticContact CZ-CE1 3.99Å; Y571-F591 WeakPolarHBondContact OH-CD1 3.35Å; Y571-F591 WeakPolarHBondContact OH-CE1 3.47Å; Y571-F591 PolarHBondContact OH-O 2.98Å; Y571-P595 HydrophobicContact CD2-CG 4.34Å; Y571-P595 HydrophobicContact CE2-CG 3.57Å
572L60.6Low52.7Low36 Ų3679.6 Ų79.619%0.18841%0.407CS..Hα-helixtrans-61-41.4177.2-94.2174.7000112.5Y568 T570 A575 H576 F591Y568-L572 HydrophobicContact CD1-CD1 3.54Å; Y568-L572 HydrophobicContact CD1-CG 4.32Å; Y568-L572 HydrophobicContact CE1-CD1 3.11Å; Y568-L572 HydrophobicContact CE1-CG 4.04Å; Y568-L572 HydrophobicContact CE2-CD1 4.39Å; Y568-L572 HydrophobicContact CG-CD1 4.39Å; Y568-L572 WeakPolarHBondContact O-CB 3.36Å; Y568-L572 PolarHBondContact O-N 2.88Å; T570-L572 PolarHBondContact O-N 3.23Å; L572-A575 PolarHBondContact O-N 3.34Å; L572-H576 VanDerWaalsContact O-CB 3.3Å; L572-H576 WeakPolarHBondContact O-CB 3.44Å; L572-H576 PolarHBondContact O-CD2 3.25Å; L572-H576 VanDerWaalsContact O-CD2 3.24Å; L572-H576 PolarHBondContact O-N 3.36Å; L572-F591 HydrophobicContact CD2-CE2 4.05Å; L572-F591 HydrophobicContact CD2-CZ 3.64Å
573R63.2Low52.4Low150 Ų15074.2 Ų74.257%0.56639%0.389SS*.Hα-helixtrans-64.8-44.1177.9-80.1-178.1-67.1175.92.8111.8D569 T570 Y571 H576 R577D569-R573 WeakPolarHBondContact O-CB 3.49Å; D569-R573 WeakPolarHBondContact O-CG 3.44Å; D569-R573 PolarHBondContact O-N 3.18Å; D569-R573 PolarHBondContact O-NE 3.44Å; T570-R573 PolarHBondContact O-N 2.89Å; T570-R573 PolarHBondContact OG1-NH2 3.49Å; Y571-R573 VanDerWaalsContact C-N 3.34Å; Y571-R573 PolarHBondContact O-N 2.8Å; R573-H576 PolarHBondContact O-N 3.05Å; R573-R577 WeakPolarHBondContact O-CB 3.09Å; R573-R577 PolarHBondContact O-N 3.04Å
574D59.6Low52.1Low42 Ų4276 Ų7623%0.22540%0.402CS..Hα-helixtrans-65.1-44176.7-81-2.9000111.4S559 T570 Y571 H576 R577 Q578S559-D574 PolarHBondContact OG-OD2 3.01Å; T570-D574 PolarHBondContact O-N 2.93Å; Y571-D574 PolarHBondContact O-N 2.95Å; D574-H576 PolarHBondContact O-N 3.03Å; D574-R577 PolarHBondContact O-N 2.89Å; D574-Q578 PolarHBondContact O-N 3.18Å; D574-Q578 VanDerWaalsContact O-N 3.08Å
575A55.3Low51.9Low0 Ų072.3 Ų72.30%039%0.394CS..Hα-helixtrans-60.5-45.8175.100000111.7Y571 L572 R577 Q578 V579 F591Y571-A575 VanDerWaalsContact O-CB 3.28Å; Y571-A575 WeakPolarHBondContact O-CB 3.46Å; Y571-A575 PolarHBondContact O-N 2.81Å; L572-A575 PolarHBondContact O-N 3.34Å; A575-R577 PolarHBondContact O-N 2.69Å; A575-Q578 PolarHBondContact O-N 3.18Å; A575-V579 WeakPolarHBondContact O-CB 3.47Å; A575-V579 VanDerWaalsContact O-CG2 3.23Å; A575-V579 WeakPolarHBondContact O-CG2 3.36Å; A575-V579 PolarHBondContact O-N 3.17Å; A575-F591 HydrophobicContact CB-CD2 3.7Å; A575-F591 HydrophobicContact CB-CE2 3.62Å
576H54.7Low51.2Low110 Ų11075.2 Ų75.251%0.50940%0.395SS..Hα-helixtrans-63.4-39176.4-93.6-73000112.9L572 R573 D574 Q578 V579 N580L572-H576 VanDerWaalsContact O-CB 3.3Å; L572-H576 WeakPolarHBondContact O-CB 3.44Å; L572-H576 PolarHBondContact O-CD2 3.25Å; L572-H576 VanDerWaalsContact O-CD2 3.24Å; L572-H576 PolarHBondContact O-N 3.36Å; R573-H576 PolarHBondContact O-N 3.05Å; D574-H576 PolarHBondContact O-N 3.03Å; H576-Q578 VanDerWaalsContact C-N 3.32Å; H576-Q578 PolarHBondContact O-N 2.93Å; H576-V579 PolarHBondContact O-N 3.23Å; H576-N580 VanDerWaalsContact O-CG 3.29Å; H576-N580 PolarHBondContact O-N 3.11Å; H576-N580 VanDerWaalsContact O-N 3.13Å; H576-N580 PolarHBondContact O-ND2 3.26Å
577R58.3Low50.2Low194 Ų19475.1 Ų75.173%0.73239%0.388SS*.Hα-helixtrans-61.9-42.2177.3-167.6-180-170.6-172.72.3111.1R573 D574 A575 N580 S581R573-R577 WeakPolarHBondContact O-CB 3.09Å; R573-R577 PolarHBondContact O-N 3.04Å; D574-R577 PolarHBondContact O-N 2.89Å; A575-R577 PolarHBondContact O-N 2.69Å; R577-N580 PolarHBondContact O-N 3.35Å; R577-S581 PolarHBondContact O-N 2.97Å; R577-S581 PolarHBondContact O-OG 3.43Å
578Q50Low48.9Very low71 Ų7180.5 Ų80.533%0.33242%0.416SS..Hα-helixtrans-73.5-37179.4-71.3-179.17.100113.4D574 A575 H576 N580 S581 T582 L594D574-Q578 PolarHBondContact O-N 3.18Å; D574-Q578 VanDerWaalsContact O-N 3.08Å; A575-Q578 PolarHBondContact O-N 3.18Å; H576-Q578 VanDerWaalsContact C-N 3.32Å; H576-Q578 PolarHBondContact O-N 2.93Å; Q578-N580 PolarHBondContact O-N 3.1Å; Q578-S581 WeakPolarHBondContact CA-OG 3.17Å; Q578-S581 PolarHBondContact O-N 3.35Å; Q578-S581 VanDerWaalsContact O-N 3.14Å; Q578-S581 PolarHBondContact O-OG 3.02Å; Q578-T582 PolarHBondContact O-N 3.25Å; Q578-T582 VanDerWaalsContact O-N 3.16Å; Q578-T582 PolarHBondContact O-OG1 3.06Å; Q578-L594 VanDerWaalsContact OE1-CD1 3.31Å
579V44.5Very low47.7Very low29 Ų2983.3 Ų83.318%0.17643%0.429CS..Hα-helixtrans-61.6-33.2173.4167.80000111.8A575 H576 K587A575-V579 WeakPolarHBondContact O-CB 3.47Å; A575-V579 VanDerWaalsContact O-CG2 3.23Å; A575-V579 WeakPolarHBondContact O-CG2 3.36Å; A575-V579 PolarHBondContact O-N 3.17Å; H576-V579 PolarHBondContact O-N 3.23Å; V579-K587 HydrophobicContact CG1-CB 4.41Å; V579-K587 HydrophobicContact CG1-CD 4.15Å; V579-K587 HydrophobicContact CG1-CG 4.25Å; V579-K587 WeakPolarHBondContact O-CE 3.46Å
580N51.9Low46.3Very low129 Ų12979.8 Ų79.869%0.6941%0.412SS*.Hα-helixtrans-79.9-19.1177.5-70.8-22.6000113.3H576 R577 Q578H576-N580 VanDerWaalsContact O-CG 3.29Å; H576-N580 PolarHBondContact O-N 3.11Å; H576-N580 VanDerWaalsContact O-N 3.13Å; H576-N580 PolarHBondContact O-ND2 3.26Å; R577-N580 PolarHBondContact O-N 3.35Å; Q578-N580 PolarHBondContact O-N 3.1Å
581S45.7Very low44.8Very low92 Ų9282.6 Ų82.664%0.64342%0.423SS*.Hα-helixtrans-96.7-3.8176.859.20000114.4R577 Q578R577-S581 PolarHBondContact O-N 2.97Å; R577-S581 PolarHBondContact O-OG 3.43Å; Q578-S581 WeakPolarHBondContact CA-OG 3.17Å; Q578-S581 PolarHBondContact O-N 3.35Å; Q578-S581 VanDerWaalsContact O-N 3.14Å; Q578-S581 PolarHBondContact O-OG 3.02Å
582T35.5Very low43.5Very low34 Ų3485.4 Ų85.421%0.20945%0.445CS..SBendtrans-112.1145.2-177.4420000112.8Q578 K587Q578-T582 PolarHBondContact O-N 3.25Å; Q578-T582 VanDerWaalsContact O-N 3.16Å; Q578-T582 PolarHBondContact O-OG1 3.06Å; T582-K587 WeakPolarHBondContact O-CE 3.42Å
583P36.3Very low42.4Very low72 Ų7284.7 Ų84.747%0.46844%0.442SS..  trans-64.2154.4179.725.8-32.2000112.2T585 E586P583-T585 PolarHBondContact O-N 2.91Å; P583-E586 PolarHBondContact O-N 3Å; P583-E586 VanDerWaalsContact O-N 3.15Å
584P36.7Very low41.2Very low108 Ų10880.2 Ų80.270%0.70143%0.429SS*.THydrogen-bonded Turntrans-60.5-18.3-167.520.2-30.6000116.2E586P584-E586 VanDerWaalsContact C-N 3.34Å
585T33.3Very low40.3Very low130 Ų13079.2 Ų79.280%0.79843%0.425SS*.THydrogen-bonded Turntrans-76.5-13.7178.943.10000114.4P583P583-T585 PolarHBondContact O-N 2.91Å
586E33.9Very low39.7Very low105 Ų10580.5 Ų80.549%0.49143%0.431SS..SBendtrans-113.81.2-174.6-70.4175.7162.200113.8P583 P584 V588 F589P583-E586 PolarHBondContact O-N 3Å; P583-E586 VanDerWaalsContact O-N 3.15Å; P584-E586 VanDerWaalsContact C-N 3.34Å; E586-V588 VanDerWaalsContact C-N 3.34Å; E586-V588 PolarHBondContact O-N 3Å; E586-F589 WeakPolarHBondContact O-CB 3.46Å; E586-F589 PolarHBondContact O-N 3.49Å; E586-F589 VanDerWaalsContact O-N 3.11Å
587K30.6Very low39Very low86 Ų8679.9 Ų79.937%0.37443%0.427SS..THydrogen-bonded Turntrans-69.4-22.1-166.5-69.4-174.5176.1-176.70115.8V579 T582V579-K587 HydrophobicContact CG1-CB 4.41Å; V579-K587 HydrophobicContact CG1-CD 4.15Å; V579-K587 HydrophobicContact CG1-CG 4.25Å; V579-K587 WeakPolarHBondContact O-CE 3.46Å; T582-K587 WeakPolarHBondContact O-CE 3.42Å
588V32.7Very low38.1Very low132 Ų13271 Ų7180%0.840%0.397SS*.THydrogen-bonded Turntrans-81.9-20.7176.9-176.90000111.4E586E586-V588 VanDerWaalsContact C-N 3.34Å; E586-V588 PolarHBondContact O-N 3Å
589F33.5Very low37.9Very low92 Ų9268 Ų6840%0.40438%0.382SS..THydrogen-bonded Turntrans-84.7-34.5-172.8-96.7-92.2000114.3Q455 E586 F591 L593Q455-F589 WeakPolarHBondContact O-CZ 3.46Å; E586-F589 WeakPolarHBondContact O-CB 3.46Å; E586-F589 PolarHBondContact O-N 3.49Å; E586-F589 VanDerWaalsContact O-N 3.11Å; F589-F591 PolarHBondContact O-N 2.98Å; F589-L593 HydrophobicContact CB-CD1 4.45Å; F589-L593 HydrophobicContact CD1-CD1 4.27Å
590C31.4Very low37.8Very low24 Ų2467 Ų6716%0.16238%0.376CS..Hα-helixtrans-61.3-28.2-177.9-96.90000114.2
591F32Very low37.3Very low73 Ų7365.5 Ų65.532%0.3236%0.363SS..Hα-helixtrans-68.5-43.3-174.4-141.2-97.6000111.4Y571 L572 A575 F589Y571-F591 HydrophobicContact CE1-CD1 4.23Å; Y571-F591 AromaticContact CE1-CE1 3.64Å; Y571-F591 HydrophobicContact CE1-CE1 3.64Å; Y571-F591 AromaticContact CE1-CZ 3.83Å; Y571-F591 HydrophobicContact CE1-CZ 3.83Å; Y571-F591 AromaticContact CZ-CE1 3.99Å; Y571-F591 WeakPolarHBondContact OH-CD1 3.35Å; Y571-F591 WeakPolarHBondContact OH-CE1 3.47Å; Y571-F591 PolarHBondContact OH-O 2.98Å; L572-F591 HydrophobicContact CD2-CE2 4.05Å; L572-F591 HydrophobicContact CD2-CZ 3.64Å; A575-F591 HydrophobicContact CB-CD2 3.7Å; A575-F591 HydrophobicContact CB-CE2 3.62Å; F589-F591 PolarHBondContact O-N 2.98Å
592C34.2Very low37.1Very low84 Ų8461.9 Ų61.957%0.56834%0.339SS*.Hα-helixtrans-82.2-20.7-176.9-61.70000114L596C592-L596 WeakPolarHBondContact O-CB 3.34Å; C592-L596 WeakPolarHBondContact O-CD1 3.44Å; C592-L596 PolarHBondContact O-N 3.23Å
593L38.3Very low37.4Very low21 Ų2160.9 Ų60.911%0.1133%0.333CS..Hα-helixtrans-81.8-26.3-166.6-91.9162.4000115.5I454 F589 K597I454-L593 HydrophobicContact CB-CD2 4.12Å; I454-L593 HydrophobicContact CD1-CD2 4.3Å; I454-L593 HydrophobicContact CG2-CD2 3.53Å; I454-L593 HydrophobicContact CG2-CG 4.24Å; F589-L593 HydrophobicContact CB-CD1 4.45Å; F589-L593 HydrophobicContact CD1-CD1 4.27Å; L593-K597 HydrophobicContact CD2-CG 4.45Å; L593-K597 WeakPolarHBondContact O-CB 3.4Å; L593-K597 WeakPolarHBondContact O-CG 3.36Å; L593-K597 PolarHBondContact O-N 3.39Å
594L37.2Very low37.5Very low57 Ų5758.1 Ų58.130%0.29832%0.316SS..Hα-helixtrans-69.3-49.6178.6-97.3155.2000112.5Q578 L596 K597 G598Q578-L594 VanDerWaalsContact OE1-CD1 3.31Å; L594-L596 VanDerWaalsContact C-N 3.33Å; L594-K597 PolarHBondContact O-N 3.47Å; L594-G598 PolarHBondContact O-N 3.36Å; L594-G598 VanDerWaalsContact O-N 3.17Å
595P41.3Very low37.5Very low21 Ų2157.6 Ų57.614%0.13630%0.304CS..Hα-helixtrans-64.9-40.5171.6-15.730000109.8Y571 K597 G598 F599Y571-P595 HydrophobicContact CD2-CG 4.34Å; Y571-P595 HydrophobicContact CE2-CG 3.57Å; P595-K597 PolarHBondContact O-N 2.92Å; P595-G598 PolarHBondContact O-N 2.95Å; P595-F599 WeakPolarHBondContact O-CA 3.33Å; P595-F599 WeakPolarHBondContact O-CB 3.48Å; P595-F599 PolarHBondContact O-N 3.24Å
596L41.1Very low37.5Very low26 Ų2652.4 Ų52.414%0.13628%0.276CS..Hα-helixtrans-65.9-36.8178.3-110.892.6000113.9I454 L462 V466 C592 L594 F599 I600I454-L596 HydrophobicContact CD1-CD2 4.38Å; I454-L596 HydrophobicContact CG1-CD2 4.47Å; I454-L596 HydrophobicContact CG2-CD2 4.1Å; L462-L596 HydrophobicContact CD2-CD1 4.47Å; L462-L596 HydrophobicContact CD2-CD2 3.35Å; V466-L596 HydrophobicContact CG2-CD1 4.34Å; V466-L596 HydrophobicContact CG2-CD2 3.71Å; V466-L596 HydrophobicContact CG2-CG 3.8Å; C592-L596 WeakPolarHBondContact O-CB 3.34Å; C592-L596 WeakPolarHBondContact O-CD1 3.44Å; C592-L596 PolarHBondContact O-N 3.23Å; L594-L596 VanDerWaalsContact C-N 3.33Å; L596-F599 PolarHBondContact O-N 3.34Å; L596-I600 HydrophobicContact CD2-CD1 4.24Å; L596-I600 WeakPolarHBondContact O-CA 3.46Å; L596-I600 WeakPolarHBondContact O-CB 3.22Å; L596-I600 WeakPolarHBondContact O-CD1 3.26Å; L596-I600 WeakPolarHBondContact O-CG1 3.5Å; L596-I600 PolarHBondContact O-N 3.01Å
597K40.2Very low37.5Very low97 Ų9749.1 Ų49.142%0.42226%0.262SS..Hα-helixtrans-67.1-45.8176.8-81.5179.1176-171.50110.3E451 L593 L594 P595 F601E451-K597 VanDerWaalsContact CD-NZ 3.29Å; E451-K597 WeakPolarHBondContact OE1-CE 3.34Å; E451-K597 IonicContact OE1-NZ 3.52Å; E451-K597 PolarHBondContact OE1-NZ 3.41Å; E451-K597 IonicContact OE2-NZ 2.7Å; L593-K597 HydrophobicContact CD2-CG 4.45Å; L593-K597 WeakPolarHBondContact O-CB 3.4Å; L593-K597 WeakPolarHBondContact O-CG 3.36Å; L593-K597 PolarHBondContact O-N 3.39Å; L594-K597 PolarHBondContact O-N 3.47Å; P595-K597 PolarHBondContact O-N 2.92Å; K597-F601 WeakPolarHBondContact O-CB 3.44Å; K597-F601 PolarHBondContact O-N 3.11Å
598G40.8Very low37.6Very low9 Ų947.8 Ų47.89%0.09326%0.258CS..Hα-helixtrans-68-32173.500000113.5L594 P595 A602L594-G598 PolarHBondContact O-N 3.36Å; L594-G598 VanDerWaalsContact O-N 3.17Å; P595-G598 PolarHBondContact O-N 2.95Å; G598-A602 WeakPolarHBondContact O-CB 3.39Å; G598-A602 PolarHBondContact O-N 2.88Å
599F44.2Very low37.5Very low6 Ų652.8 Ų52.83%0.02626%0.263CS..Hα-helixtrans-81.7-31.4179.7-167.6-87.9000112.2V466 L470 L552 P595 L596 S603V466-F599 HydrophobicContact CG1-CD1 3.85Å; V466-F599 HydrophobicContact CG1-CE1 3.75Å; V466-F599 HydrophobicContact CG2-CD1 4.48Å; L470-F599 HydrophobicContact CD1-CE1 4.26Å; L470-F599 HydrophobicContact CD1-CZ 4.03Å; L470-F599 HydrophobicContact CD2-CE1 4.23Å; L470-F599 HydrophobicContact CD2-CE2 3.92Å; L470-F599 HydrophobicContact CD2-CZ 3.31Å; L470-F599 HydrophobicContact CG-CE1 4.1Å; L470-F599 HydrophobicContact CG-CZ 3.67Å; L552-F599 HydrophobicContact CB-CD2 4.01Å; L552-F599 HydrophobicContact CB-CE2 3.7Å; L552-F599 HydrophobicContact CD1-CE2 3.73Å; L552-F599 HydrophobicContact CG-CE2 4.34Å; P595-F599 WeakPolarHBondContact O-CA 3.33Å; P595-F599 WeakPolarHBondContact O-CB 3.48Å; P595-F599 PolarHBondContact O-N 3.24Å; L596-F599 PolarHBondContact O-N 3.34Å; F599-S603 VanDerWaalsContact CD1-OG 3.27Å; F599-S603 WeakPolarHBondContact CD1-OG 3.07Å; F599-S603 WeakPolarHBondContact CE1-OG 3.22Å; F599-S603 WeakPolarHBondContact O-CA 3.21Å; F599-S603 WeakPolarHBondContact O-CB 3.47Å; F599-S603 PolarHBondContact O-N 2.78Å; F599-S603 PolarHBondContact O-OG 3.29Å
600I42.9Very low37.4Very low10 Ų1055.8 Ų55.85%0.05127%0.272CS..Hα-helixtrans-68.7-44.9166.5-73.1167.9000107.9I454 L465 L596 A602 S603 V604I454-I600 HydrophobicContact CD1-CD1 3.21Å; I454-I600 HydrophobicContact CG1-CD1 4.17Å; L465-I600 HydrophobicContact CD1-CD1 4.37Å; L596-I600 HydrophobicContact CD2-CD1 4.24Å; L596-I600 WeakPolarHBondContact O-CA 3.46Å; L596-I600 WeakPolarHBondContact O-CB 3.22Å; L596-I600 WeakPolarHBondContact O-CD1 3.26Å; L596-I600 WeakPolarHBondContact O-CG1 3.5Å; L596-I600 PolarHBondContact O-N 3.01Å; I600-A602 VanDerWaalsContact C-N 3.31Å; I600-A602 PolarHBondContact O-N 3.25Å; I600-S603 PolarHBondContact O-N 3.08Å; I600-V604 HydrophobicContact CG2-CG2 3.81Å; I600-V604 WeakPolarHBondContact O-CA 3.42Å; I600-V604 WeakPolarHBondContact O-CB 3.48Å; I600-V604 WeakPolarHBondContact O-CG2 3.32Å; I600-V604 PolarHBondContact O-N 3.1Å
601F42.7Very low37.2Very low96 Ų9659.3 Ų59.342%0.42129%0.288SS..Hα-helixtrans-56.3-46.8173.1-147.4-94.5000111.2L447 K597 Q605L447-F601 HydrophobicContact CD1-CE2 4.24Å; L447-F601 HydrophobicContact CD2-CD2 4.32Å; K597-F601 WeakPolarHBondContact O-CB 3.44Å; K597-F601 PolarHBondContact O-N 3.11Å; F601-Q605 WeakPolarHBondContact O-CB 3.34Å; F601-Q605 PolarHBondContact O-N 3.39Å
602A40.3Very low37Very low17 Ų1760.2 Ų60.214%0.1430%0.302CS..Hα-helixtrans-74.3-29.5178.900000115P554 G598 I600 G606P554-A602 HydrophobicContact CG-CB 3.56Å; G598-A602 WeakPolarHBondContact O-CB 3.39Å; G598-A602 PolarHBondContact O-N 2.88Å; I600-A602 VanDerWaalsContact C-N 3.31Å; I600-A602 PolarHBondContact O-N 3.25Å; A602-G606 WeakPolarHBondContact O-CA 3.11Å; A602-G606 PolarHBondContact O-N 2.9Å
603S41Very low36.8Very low12 Ų1261.1 Ų61.18%0.08432%0.315CS..Hα-helixtrans-81.1-37.4176.4-66.60000111F599 I600 G606 L607F599-S603 VanDerWaalsContact CD1-OG 3.27Å; F599-S603 WeakPolarHBondContact CD1-OG 3.07Å; F599-S603 WeakPolarHBondContact CE1-OG 3.22Å; F599-S603 WeakPolarHBondContact O-CA 3.21Å; F599-S603 WeakPolarHBondContact O-CB 3.47Å; F599-S603 PolarHBondContact O-N 2.78Å; F599-S603 PolarHBondContact O-OG 3.29Å; I600-S603 PolarHBondContact O-N 3.08Å; S603-G606 CarbonylContact O-C 3.22Å; S603-G606 PolarHBondContact O-N 3.26Å; S603-L607 VanDerWaalsContact O-CB 3.3Å; S603-L607 WeakPolarHBondContact O-CB 3.44Å; S603-L607 WeakPolarHBondContact O-CD1 3.4Å; S603-L607 PolarHBondContact O-N 2.85Å
604V38.9Very low36.3Very low15 Ų1566.7 Ų66.79%0.09135%0.349CS..Hα-helixtrans-58.4-50.2166.4165.30000108.6I432 C435 I600 G606 L607 L608I432-V604 HydrophobicContact CG1-CG2 4.46Å; I432-V604 HydrophobicContact CG2-CB 4.15Å; I432-V604 HydrophobicContact CG2-CG1 3.78Å; I432-V604 HydrophobicContact CG2-CG2 4.06Å; I432-V604 WeakPolarHBondContact O-CG1 3.45Å; C435-V604 HydrophobicContact CB-CG1 4.04Å; I600-V604 HydrophobicContact CG2-CG2 3.81Å; I600-V604 WeakPolarHBondContact O-CA 3.42Å; I600-V604 WeakPolarHBondContact O-CB 3.48Å; I600-V604 WeakPolarHBondContact O-CG2 3.32Å; I600-V604 PolarHBondContact O-N 3.1Å; V604-G606 PolarHBondContact O-N 2.92Å; V604-L607 PolarHBondContact O-N 3.32Å; V604-L608 HydrophobicContact CG1-CD1 3.74Å; V604-L608 WeakPolarHBondContact O-CB 3.29Å; V604-L608 VanDerWaalsContact O-CD1 3.27Å; V604-L608 WeakPolarHBondContact O-CD1 3.39Å; V604-L608 PolarHBondContact O-N 3.27Å
605Q36.2Very low36Very low97 Ų9767.2 Ų67.245%0.45337%0.368SS..Hα-helixtrans-67.7-33.4178.7-15715618.400112.7F601 L608 W609F601-Q605 WeakPolarHBondContact O-CB 3.34Å; F601-Q605 PolarHBondContact O-N 3.39Å; Q605-L608 WeakPolarHBondContact O-CB 3.11Å; Q605-L608 PolarHBondContact O-N 2.8Å; Q605-W609 PolarHBondContact O-N 2.84Å
606G35.1Very low35.2Very low21 Ų2174 Ų7422%0.21640%0.403CS..Hα-helixtrans-73.2-31.8172.700000114.3A602 S603 V604 W609 R610A602-G606 WeakPolarHBondContact O-CA 3.11Å; A602-G606 PolarHBondContact O-N 2.9Å; S603-G606 CarbonylContact O-C 3.22Å; S603-G606 PolarHBondContact O-N 3.26Å; V604-G606 PolarHBondContact O-N 2.92Å; G606-W609 PolarHBondContact O-N 3.33Å; G606-R610 PolarHBondContact O-N 2.87Å
607L33.5Very low34.5Very low36 Ų3682 Ų8219%0.18844%0.44CS..Hα-helixtrans-69.7-42168.9-103.7102.5000110.4I432 S603 V604 W609 R610 L611I432-L607 HydrophobicContact CD1-CD2 4.25Å; S603-L607 VanDerWaalsContact O-CB 3.3Å; S603-L607 WeakPolarHBondContact O-CB 3.44Å; S603-L607 WeakPolarHBondContact O-CD1 3.4Å; S603-L607 PolarHBondContact O-N 2.85Å; V604-L607 PolarHBondContact O-N 3.32Å; L607-W609 PolarHBondContact O-N 2.91Å; L607-R610 PolarHBondContact O-N 3.45Å; L607-R610 VanDerWaalsContact O-N 3.07Å; L607-L611 PolarHBondContact O-N 2.92Å
608L33Very low33.8Very low57 Ų5788.9 Ų88.930%0.29846%0.463SS..Hα-helixtrans-58-36.6171.9-98.8117.7000111.5D436 V604 Q605 R610D436-L608 HydrophobicContact CB-CD1 4.37Å; V604-L608 HydrophobicContact CG1-CD1 3.74Å; V604-L608 WeakPolarHBondContact O-CB 3.29Å; V604-L608 VanDerWaalsContact O-CD1 3.27Å; V604-L608 WeakPolarHBondContact O-CD1 3.39Å; V604-L608 PolarHBondContact O-N 3.27Å; Q605-L608 WeakPolarHBondContact O-CB 3.11Å; Q605-L608 PolarHBondContact O-N 2.8Å; L608-R610 VanDerWaalsContact C-N 3.35Å
609W29.6Very low33.1Very low238 Ų23898 Ų9890%0.90250%0.5SS*.THydrogen-bonded Turntrans-75.7-17.5176.2-152.5-104.3000114.5Q605 G606 L607Q605-W609 PolarHBondContact O-N 2.84Å; G606-W609 PolarHBondContact O-N 3.33Å; L607-W609 PolarHBondContact O-N 2.91Å
610R31.9Very low32.4Very low155 Ų155103 Ų10359%0.58554%0.536SS*.THydrogen-bonded Turntrans-94-9.3178.3-81.4-172.5174.8-158.11.2114E472 G606 L607 L608 P612E472-R610 IonicContact OE2-CZ 3.77Å; E472-R610 IonicContact OE2-NH1 2.76Å; E472-R610 PolarHBondContact OE2-NH1 3.33Å; E472-R610 IonicContact OE2-NH2 3.9Å; G606-R610 PolarHBondContact O-N 2.87Å; L607-R610 PolarHBondContact O-N 3.45Å; L607-R610 VanDerWaalsContact O-N 3.07Å; L608-R610 VanDerWaalsContact C-N 3.35Å; R610-P612 WeakPolarHBondContact O-CD 3.44Å
611L27.8Very low31.7Very low97 Ų97111.8 Ų111.851%0.50858%0.577SS.*SBendtrans-73.5118.9170-74.5165.6000108.7L607 A613L607-L611 PolarHBondContact O-N 2.92Å; L611-A613 PolarHBondContact O-N 3.47Å
612P26.7Very low31.1Very low93 Ų93111.6 Ų111.660%0.60459%0.593SS**  trans-60.6128.7171.610-5.2000107.6R610 V614R610-P612 WeakPolarHBondContact O-CD 3.44Å; P612-V614 VanDerWaalsContact C-N 3.34Å; P612-V614 PolarHBondContact O-N 3.01Å
613A30Very low30.6Very low103 Ų103116.8 Ų116.885%0.85163%0.628SS**  trans-49.698.1171.600000109.7L611 G615L611-A613 PolarHBondContact O-N 3.47Å; A613-G615 VanDerWaalsContact C-N 3.29Å; A613-G615 PolarHBondContact O-N 3.05Å
614V27.3Very low30Very low137 Ų137119.8 Ų119.883%0.8366%0.661SS**  trans-7492.6170.9178.30000106.4P612P612-V614 VanDerWaalsContact C-N 3.34Å; P612-V614 PolarHBondContact O-N 3.01Å
615G31.8Very low29.5Very low68 Ų68128.7 Ų128.770%0.70170%0.702SS**  trans55.270.8149.100000117.3A613A613-G615 VanDerWaalsContact C-N 3.29Å; A613-G615 PolarHBondContact O-N 3.05Å
616L25.3Very low29.2Very low165 Ų165136.7 Ų136.786%0.86474%0.742SS**  trans-120.892.1145.9-96.5114.3000108.6R618L616-R618 PolarHBondContact O-N 2.98Å
617E26Very low29Very low193 Ų193142.5 Ų142.590%0.90277%0.768SS**  trans-54.3110.4159.4-81-178.6148.900108K619E617-K619 PolarHBondContact O-N 3.39Å
618R25.9Very low28.7Very low242 Ų242148.1 Ų148.191%0.91380%0.799SS**  trans-60.3105.6165.8-67.3-177.8-156.7175.35.3107.5L616 S620L616-R618 PolarHBondContact O-N 2.98Å; R618-S620 PolarHBondContact O-N 3.43Å; R618-S620 VanDerWaalsContact O-N 3.1Å
619K25.9Very low28.5Very low201 Ų201153.2 Ų153.287%0.87483%0.827SS**  trans-61.1111.1155.1-89-176.8174177.10107.2E617 E621E617-K619 PolarHBondContact O-N 3.39Å; K619-E621 PolarHBondContact O-N 3.07Å
620S27.6Very low28.4Very low111 Ų111148.2 Ų148.278%0.77682%0.822SS**  trans-66.5108.1165.163.10000108.4R618 A622R618-S620 PolarHBondContact O-N 3.43Å; R618-S620 VanDerWaalsContact O-N 3.1Å; S620-A622 PolarHBondContact O-N 3.31Å
621E29.1Very low28.2Very low194 Ų194147.8 Ų147.891%0.90784%0.837SS**  trans-82.7105.2157.8-86.4-179.416200107.7K619K619-E621 PolarHBondContact O-N 3.07Å
622A29.5Very low28.2Very low92 Ų92151.1 Ų151.176%0.7686%0.859SS**  trans-67.4126.8167.400000109.1S620S620-A622 PolarHBondContact O-N 3.31Å
623S31.1Very low28.3Very low126 Ų126155.3 Ų155.388%0.88188%0.877SS**  trans-63.8127.4155.840.10000109.4
624G26.9Very low28.2Very low75 Ų75159.3 Ų159.377%0.77388%0.879SS**  trans-154.3109.7172.400000109.4M626G624-M626 PolarHBondContact O-N 3.5Å
625E30.2Very low28.3Very low202 Ų202161.2 Ų161.294%0.94488%0.883SS**  trans-50.6121.7169.5-61166.3134.100111.4
626M29.9Very low28Very low265 Ų265169.6 Ų169.6100%1.30590%0.9SS**  178.60121.2-129.8172.6-17400111.3G624G624-M626 PolarHBondContact O-N 3.5Å

Retrieved 626 of 626 residues in 109.4 ms (Link to these results)

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