A0A3Q0KMB9_SCHMA Loading...

Indoleamine 2,3-dioxygenase 2

AlphaFold DB , UniProt , Accession A0A3Q0KMB9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 394 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
1M86Confident94.7Very high106 Ų10669.2 Ų69.252%0.52236%0.355SS..  0135.80-173.7170.7-177.700107.2S3 K46 E47 L50M1-S3 WeakPolarHBondContact CE-O 3.5Å; M1-K46 HydrophobicContact SD-CB 4.39Å; M1-E47 HydrophobicContact CE-CG 3.54Å; M1-E47 HydrophobicContact SD-CG 3.81Å; M1-L50 HydrophobicContact CB-CD2 4.21Å; M1-L50 HydrophobicContact CG-CD2 3.8Å; M1-L50 HydrophobicContact SD-CD2 4.31Å
2K91Very high95Very high123 Ų12365.1 Ų65.154%0.53533%0.334SS..  trans-98.4-35.4-175.9-65-170.8-179.1-167.70113.4I107 I124 H125K2-I107 VanDerWaalsContact CE-CD1 3.4Å; K2-I107 VanDerWaalsContact NZ-CD1 3.3Å; K2-I124 HydrophobicContact CB-CG2 4.39Å; K2-I124 HydrophobicContact CG-CG2 4.15Å; K2-H125 PolarHBondContact O-CE1 3.08Å
3S94.7Very high95.2Very high68 Ų6864.5 Ų64.548%0.47634%0.336SS..SBendtrans-135.3149.6-177.658.90000111.5M1M1-S3 WeakPolarHBondContact CE-O 3.5Å
4L96.1Very high95.4Very high8 Ų860.6 Ų60.64%0.04232%0.315CS..  trans-77.1163.5170.6-68.6174000112W8 W11 N12 L42 E47 L50 A51 I54L4-W8 HydrophobicContact CB-CB 4.06Å; L4-W8 HydrophobicContact CD1-CB 3.91Å; L4-W8 HydrophobicContact CD1-CG 4.4Å; L4-W11 HydrophobicContact CD1-CE3 3.74Å; L4-W11 HydrophobicContact CD1-CZ3 4.36Å; L4-N12 PolarHBondContact N-ND2 2.71Å; L4-N12 PolarHBondContact N-OD1 3.43Å; L4-N12 PolarHBondContact O-ND2 2.82Å; L4-L42 HydrophobicContact CD2-CD1 4.02Å; L4-E47 HydrophobicContact CD2-CB 4.14Å; L4-E47 HydrophobicContact CD2-CG 4.19Å; L4-E47 WeakPolarHBondContact CD2-O 3.24Å; L4-L50 HydrophobicContact CD2-CB 4.02Å; L4-L50 HydrophobicContact CD2-CD2 3.99Å; L4-L50 HydrophobicContact CD2-CG 4.03Å; L4-L50 HydrophobicContact CG-CD2 4.01Å; L4-L50 HydrophobicContact CG-CG 4.08Å; L4-A51 HydrophobicContact CD1-CB 4Å; L4-A51 HydrophobicContact CD2-CB 4.41Å; L4-I54 HydrophobicContact CD1-CD1 3.87Å; L4-I54 HydrophobicContact CG-CD1 4.14Å
5P95.4Very high95.5Very high46 Ų4656.7 Ų56.730%0.29930%0.295SS..  trans-55.6161.5171.7-25.234.6000113.7K7 W8 E47P5-K7 PolarHBondContact O-N 3.34Å; P5-W8 HydrophobicContact CB-CE3 4.02Å; P5-W8 HydrophobicContact CB-CZ3 3.93Å; P5-W8 HydrophobicContact CG-CE3 4.22Å; P5-W8 HydrophobicContact CG-CZ3 3.96Å; P5-W8 PolarHBondContact O-N 2.57Å; P5-E47 WeakPolarHBondContact CG-OE1 3.5Å
6L94.4Very high95.6Very high145 Ų14560.1 Ų60.176%0.75931%0.313SS*.G310 helixtrans-54.9-30.9-171.6-173.465.9000114.1W8 K9L6-W8 PolarHBondContact O-N 3.17Å; L6-W8 VanDerWaalsContact O-N 3.16Å; L6-K9 HydrophobicContact CD1-CB 4.32Å; L6-K9 HydrophobicContact CD1-CD 4.03Å; L6-K9 VanDerWaalsContact O-CB 3.26Å; L6-K9 WeakPolarHBondContact O-CB 3.43Å; L6-K9 PolarHBondContact O-N 3.1Å
7K95.7Very high95.8Very high98 Ų9861.5 Ų61.543%0.42631%0.314SS..G310 helixtrans-55.2-30.9176.3-176.3174.8173.7-178.70112.8P5 D38 D40P5-K7 PolarHBondContact O-N 3.34Å; K7-D38 VanDerWaalsContact CE-OD1 3.24Å; K7-D38 WeakPolarHBondContact CE-OD1 3.5Å; K7-D38 IonicContact NZ-OD1 3.87Å; K7-D38 PolarHBondContact NZ-OD1 2.92Å; K7-D38 IonicContact NZ-OD2 3.58Å; K7-D40 PolarHBondContact NZ-O 3.16Å
8W97.1Very high95.9Very high7 Ų758.1 Ų58.13%0.02730%0.296CS..G310 helixtrans-107.127.3178.2-56.5-84.8000113.4L4 P5 L6 A10 W11 N12 L37 D38 L42L4-W8 HydrophobicContact CB-CB 4.06Å; L4-W8 HydrophobicContact CD1-CB 3.91Å; L4-W8 HydrophobicContact CD1-CG 4.4Å; P5-W8 HydrophobicContact CB-CE3 4.02Å; P5-W8 HydrophobicContact CB-CZ3 3.93Å; P5-W8 HydrophobicContact CG-CE3 4.22Å; P5-W8 HydrophobicContact CG-CZ3 3.96Å; P5-W8 PolarHBondContact O-N 2.57Å; L6-W8 PolarHBondContact O-N 3.17Å; L6-W8 VanDerWaalsContact O-N 3.16Å; W8-A10 PolarHBondContact O-N 3.33Å; W8-A10 VanDerWaalsContact O-N 3.11Å; W8-W11 HydrophobicContact CB-CD2 4.3Å; W8-W11 HydrophobicContact CB-CE3 3.84Å; W8-W11 HydrophobicContact CB-CZ3 4.39Å; W8-W11 AromaticContact CD1-CE3 3.49Å; W8-W11 VanDerWaalsContact CD1-CE3 3.49Å; W8-W11 AromaticContact CD1-CH2 3.57Å; W8-W11 AromaticContact CD1-CZ3 3.22Å; W8-W11 AromaticContact CG-CE3 3.86Å; W8-W11 HydrophobicContact CG-CE3 3.86Å; W8-W11 AromaticContact CG-CZ3 3.9Å; W8-W11 HydrophobicContact CG-CZ3 3.9Å; W8-W11 AromaticContact NE1-CH2 3.93Å; W8-W11 AromaticContact NE1-CZ3 3.8Å; W8-W11 PolarHBondContact O-N 3.03Å; W8-N12 PolarHBondContact O-N 2.95Å; W8-L37 HydrophobicContact CB-CD1 4.4Å; W8-L37 HydrophobicContact CG-CD1 4.45Å; W8-D38 PolarHBondContact NE1-O 2.88Å; W8-L42 HydrophobicContact CD2-CD1 4.09Å; W8-L42 HydrophobicContact CE3-CD1 3.88Å; W8-L42 HydrophobicContact CH2-CB 3.7Å; W8-L42 HydrophobicContact CH2-CD1 3.81Å; W8-L42 HydrophobicContact CH2-CG 4.39Å; W8-L42 HydrophobicContact CZ2-CB 3.62Å; W8-L42 HydrophobicContact CZ2-CD1 4.03Å; W8-L42 HydrophobicContact CZ2-CG 4.37Å; W8-L42 HydrophobicContact CZ3-CB 4.47Å; W8-L42 HydrophobicContact CZ3-CD1 3.72Å
9K96.6Very high96Very high129 Ų12956.7 Ų56.756%0.56129%0.292SS*.Hα-helixtrans-52.3-34.7178.2-178.5-179.4177.7-175.90113.1L6 W11 N12 T13L6-K9 HydrophobicContact CD1-CB 4.32Å; L6-K9 HydrophobicContact CD1-CD 4.03Å; L6-K9 VanDerWaalsContact O-CB 3.26Å; L6-K9 WeakPolarHBondContact O-CB 3.43Å; L6-K9 PolarHBondContact O-N 3.1Å; K9-W11 VanDerWaalsContact C-N 3.35Å; K9-W11 PolarHBondContact O-N 3.46Å; K9-N12 PolarHBondContact O-N 3.19Å; K9-T13 PolarHBondContact O-N 3.05Å; K9-T13 PolarHBondContact O-OG1 3.37Å
10A97.3Very high96.1Very high31 Ų3158.9 Ų58.926%0.25630%0.301SS..Hα-helixtrans-62.3-41.6179.100000111.9W8 T13 I14 L34 L37W8-A10 PolarHBondContact O-N 3.33Å; W8-A10 VanDerWaalsContact O-N 3.11Å; A10-T13 PolarHBondContact O-N 2.95Å; A10-I14 WeakPolarHBondContact O-CG1 3.49Å; A10-I14 PolarHBondContact O-N 2.95Å; A10-I14 VanDerWaalsContact O-N 3.08Å; A10-L34 HydrophobicContact CB-CD1 3.57Å; A10-L37 HydrophobicContact CB-CD1 4.32Å
11W98Very high96.2Very high0 Ų056.1 Ų56.10%029%0.286CS..Hα-helixtrans-66.1-43.4174.5-65.7-13000112.3L4 W8 K9 T13 I14 I15 L37 L39 A51 I54 L55 P82L4-W11 HydrophobicContact CD1-CE3 3.74Å; L4-W11 HydrophobicContact CD1-CZ3 4.36Å; W8-W11 HydrophobicContact CB-CD2 4.3Å; W8-W11 HydrophobicContact CB-CE3 3.84Å; W8-W11 HydrophobicContact CB-CZ3 4.39Å; W8-W11 AromaticContact CD1-CE3 3.49Å; W8-W11 VanDerWaalsContact CD1-CE3 3.49Å; W8-W11 AromaticContact CD1-CH2 3.57Å; W8-W11 AromaticContact CD1-CZ3 3.22Å; W8-W11 AromaticContact CG-CE3 3.86Å; W8-W11 HydrophobicContact CG-CE3 3.86Å; W8-W11 AromaticContact CG-CZ3 3.9Å; W8-W11 HydrophobicContact CG-CZ3 3.9Å; W8-W11 AromaticContact NE1-CH2 3.93Å; W8-W11 AromaticContact NE1-CZ3 3.8Å; W8-W11 PolarHBondContact O-N 3.03Å; K9-W11 VanDerWaalsContact C-N 3.35Å; K9-W11 PolarHBondContact O-N 3.46Å; W11-T13 VanDerWaalsContact C-N 3.26Å; W11-T13 PolarHBondContact O-N 2.91Å; W11-I14 PolarHBondContact O-N 3.07Å; W11-I15 PolarHBondContact O-N 3.36Å; W11-L37 HydrophobicContact CD2-CD1 4.17Å; W11-L37 HydrophobicContact CG-CD1 4.28Å; W11-L37 HydrophobicContact CH2-CB 4.4Å; W11-L37 HydrophobicContact CZ2-CB 3.82Å; W11-L37 HydrophobicContact CZ2-CD1 4.31Å; W11-L39 HydrophobicContact CH2-CD2 3.65Å; W11-L39 HydrophobicContact CZ3-CD2 4.18Å; W11-A51 HydrophobicContact CZ3-CB 4.2Å; W11-I54 HydrophobicContact CB-CG2 3.92Å; W11-L55 HydrophobicContact CD2-CD2 4.29Å; W11-L55 HydrophobicContact CH2-CD1 4.11Å; W11-L55 HydrophobicContact CZ2-CD1 4.37Å; W11-L55 HydrophobicContact CZ2-CD2 4.05Å; W11-L55 HydrophobicContact CZ3-CD1 4.24Å; W11-P82 HydrophobicContact CH2-CB 3.72Å; W11-P82 HydrophobicContact CH2-CG 4.35Å; W11-P82 HydrophobicContact CZ2-CB 3.6Å; W11-P82 HydrophobicContact CZ2-CG 3.83Å
12N97.7Very high96.8Very high20 Ų2052 Ų5211%0.10727%0.268CS..Hα-helixtrans-56.5-42.8173.7-66.9-28.2000111.2L4 W8 K9 I14 I15 D16L4-N12 PolarHBondContact N-ND2 2.71Å; L4-N12 PolarHBondContact N-OD1 3.43Å; L4-N12 PolarHBondContact O-ND2 2.82Å; W8-N12 PolarHBondContact O-N 2.95Å; K9-N12 PolarHBondContact O-N 3.19Å; N12-I14 PolarHBondContact O-N 2.58Å; N12-I15 VanDerWaalsContact O-CG2 3.24Å; N12-I15 WeakPolarHBondContact O-CG2 3.25Å; N12-I15 PolarHBondContact O-N 2.69Å; N12-D16 VanDerWaalsContact O-CG 3.3Å; N12-D16 PolarHBondContact O-N 3.48Å
13T97.6Very high97Very high58 Ų5853 Ų5336%0.35627%0.268SS..Hα-helixtrans-65.5-41.8-179-53.90000112K9 A10 W11 R17K9-T13 PolarHBondContact O-N 3.05Å; K9-T13 PolarHBondContact O-OG1 3.37Å; A10-T13 PolarHBondContact O-N 2.95Å; W11-T13 VanDerWaalsContact C-N 3.26Å; W11-T13 PolarHBondContact O-N 2.91Å; T13-R17 WeakPolarHBondContact O-CG 3.46Å; T13-R17 PolarHBondContact O-N 2.87Å
14I98Very high97.1Very high9 Ų953.6 Ų53.65%0.04627%0.266CS..Hα-helixtrans-69.1-43.9179.7-66.2-175.9000111A10 W11 N12 D16 R17 L18 L21 L27 I31 L34 I58A10-I14 WeakPolarHBondContact O-CG1 3.49Å; A10-I14 PolarHBondContact O-N 2.95Å; A10-I14 VanDerWaalsContact O-N 3.08Å; W11-I14 PolarHBondContact O-N 3.07Å; N12-I14 PolarHBondContact O-N 2.58Å; I14-D16 VanDerWaalsContact C-N 3.32Å; I14-D16 PolarHBondContact O-N 3.06Å; I14-R17 CarbonylContact O-C 3.48Å; I14-R17 PolarHBondContact O-N 3.06Å; I14-L18 WeakPolarHBondContact O-CA 3.27Å; I14-L18 WeakPolarHBondContact O-CB 3.45Å; I14-L18 PolarHBondContact O-N 3.17Å; I14-L21 HydrophobicContact CG2-CD1 4.18Å; I14-L27 HydrophobicContact CG2-CD1 3.9Å; I14-I31 HydrophobicContact CD1-CD1 3.74Å; I14-L34 HydrophobicContact CD1-CD1 3.74Å; I14-L34 HydrophobicContact CD1-CD2 4.14Å; I14-L34 HydrophobicContact CD1-CG 4.36Å; I14-I58 HydrophobicContact CB-CD1 4.01Å; I14-I58 HydrophobicContact CG2-CD1 3.52Å; I14-I58 HydrophobicContact CG2-CG1 3.72Å
15I97.9Very high97.2Very high2 Ų260.9 Ų60.91%0.0129%0.293CS..Hα-helixtrans-63.9-38.3-178.3-167.363.8000112W11 N12 R17 L18 I54 F57 H125W11-I15 PolarHBondContact O-N 3.36Å; N12-I15 VanDerWaalsContact O-CG2 3.24Å; N12-I15 WeakPolarHBondContact O-CG2 3.25Å; N12-I15 PolarHBondContact O-N 2.69Å; I15-R17 VanDerWaalsContact C-N 3.31Å; I15-R17 PolarHBondContact O-N 3.36Å; I15-L18 HydrophobicContact CD1-CB 4.47Å; I15-L18 HydrophobicContact CD1-CD2 3.76Å; I15-L18 WeakPolarHBondContact O-CB 3.39Å; I15-L18 PolarHBondContact O-N 3.1Å; I15-I54 HydrophobicContact CB-CB 4.47Å; I15-I54 HydrophobicContact CB-CG1 4.02Å; I15-I54 HydrophobicContact CB-CG2 3.94Å; I15-I54 HydrophobicContact CG1-CG1 4.05Å; I15-I54 HydrophobicContact CG2-CD1 4.13Å; I15-I54 HydrophobicContact CG2-CG1 3.94Å; I15-I54 HydrophobicContact CG2-CG2 4.4Å; I15-F57 HydrophobicContact CD1-CB 3.69Å; I15-F57 HydrophobicContact CD1-CD2 3.81Å; I15-F57 HydrophobicContact CD1-CG 4.07Å; I15-H125 HydrophobicContact CD1-CB 4.26Å; I15-H125 HydrophobicContact CG1-CB 3.91Å
16D97.1Very high97.3Very high111 Ų11160 Ų6059%0.59429%0.288SS*.Hα-helixtrans-65.2-35.8176.8-72.4-21.1000111.7N12 I14 H125N12-D16 VanDerWaalsContact O-CG 3.3Å; N12-D16 PolarHBondContact O-N 3.48Å; I14-D16 VanDerWaalsContact C-N 3.32Å; I14-D16 PolarHBondContact O-N 3.06Å; D16-H125 IonicContact OD1-CD2 2.97Å; D16-H125 IonicContact OD1-NE2 3.59Å
17R97.8Very high97.4Very high85 Ų8553 Ų5332%0.32125%0.252SS..Hα-helixtrans-88.6-7.7178.2-66.6176.266.4-147.5-3.9113.4T13 I14 I15 P19 E20 L21 E30T13-R17 WeakPolarHBondContact O-CG 3.46Å; T13-R17 PolarHBondContact O-N 2.87Å; I14-R17 CarbonylContact O-C 3.48Å; I14-R17 PolarHBondContact O-N 3.06Å; I15-R17 VanDerWaalsContact C-N 3.31Å; I15-R17 PolarHBondContact O-N 3.36Å; R17-P19 VanDerWaalsContact C-CD 3.5Å; R17-E20 WeakPolarHBondContact O-CA 3.39Å; R17-E20 WeakPolarHBondContact O-CB 3.46Å; R17-E20 PolarHBondContact O-N 3.3Å; R17-L21 HydrophobicContact CB-CD1 4.09Å; R17-L21 HydrophobicContact CB-CG 4.07Å; R17-L21 WeakPolarHBondContact O-CG 3.47Å; R17-L21 PolarHBondContact O-N 3.25Å; R17-E30 IonicContact CZ-OE1 3.62Å; R17-E30 IonicContact NH1-OE1 3.36Å; R17-E30 PolarHBondContact NH1-OE1 3.22Å; R17-E30 IonicContact NH1-OE2 2.69Å; R17-E30 IonicContact NH2-OE1 3.48Å; R17-E30 PolarHBondContact NH2-OE1 3.09Å
18L98.2Very high97.5Very high0 Ų050.5 Ų50.50%024%0.239CC..Hα-helixtrans-55.4-41.2-169.4-170.865.2000113.5I14 I15 E20 L21 S22 L27 F57 I58 V61 P127I14-L18 WeakPolarHBondContact O-CA 3.27Å; I14-L18 WeakPolarHBondContact O-CB 3.45Å; I14-L18 PolarHBondContact O-N 3.17Å; I15-L18 HydrophobicContact CD1-CB 4.47Å; I15-L18 HydrophobicContact CD1-CD2 3.76Å; I15-L18 WeakPolarHBondContact O-CB 3.39Å; I15-L18 PolarHBondContact O-N 3.1Å; L18-E20 VanDerWaalsContact C-N 3.32Å; L18-E20 PolarHBondContact O-N 3.07Å; L18-L21 PolarHBondContact O-N 3.24Å; L18-S22 VanDerWaalsContact O-CB 3.29Å; L18-S22 WeakPolarHBondContact O-CB 3.44Å; L18-S22 PolarHBondContact O-N 2.94Å; L18-L27 HydrophobicContact CD1-CD1 3.81Å; L18-L27 HydrophobicContact CD1-CD2 3.67Å; L18-L27 HydrophobicContact CD1-CG 4.35Å; L18-F57 HydrophobicContact CD2-CB 3.78Å; L18-F57 HydrophobicContact CD2-CD2 4.42Å; L18-I58 HydrophobicContact CD1-CG1 4.36Å; L18-V61 HydrophobicContact CD1-CB 4.15Å; L18-V61 HydrophobicContact CD1-CG1 4.17Å; L18-V61 HydrophobicContact CD1-CG2 4.31Å; L18-V61 HydrophobicContact CD2-CG2 4.07Å; L18-V61 HydrophobicContact CG-CG2 4.26Å; L18-P127 WeakPolarHBondContact CG-O 3.43Å
19P98.2Very high97.5Very high32 Ų3257.3 Ų57.321%0.20827%0.269CS..Hα-helixtrans-56.6-42.9172.8-2837.1000113.8R17 R23 H129R17-P19 VanDerWaalsContact C-CD 3.5Å; P19-R23 WeakPolarHBondContact O-CB 3.31Å; P19-R23 PolarHBondContact O-N 3.45Å; P19-H129 HydrophobicContact CB-CB 4.38Å; P19-H129 WeakPolarHBondContact O-CB 3.34Å
20E98Very high97.6Very high100 Ų10053.7 Ų53.747%0.46725%0.254SS..Hα-helixtrans-69.9-45.7178.7-169.4-165.6161.400111.5R17 L18 S22 R23 N24R17-E20 WeakPolarHBondContact O-CA 3.39Å; R17-E20 WeakPolarHBondContact O-CB 3.46Å; R17-E20 PolarHBondContact O-N 3.3Å; L18-E20 VanDerWaalsContact C-N 3.32Å; L18-E20 PolarHBondContact O-N 3.07Å; E20-S22 VanDerWaalsContact C-N 3.26Å; E20-S22 PolarHBondContact O-N 3.48Å; E20-R23 WeakPolarHBondContact O-CB 3.48Å; E20-R23 PolarHBondContact O-N 2.84Å; E20-N24 PolarHBondContact O-N 3.23Å; E20-N24 PolarHBondContact O-OD1 3.38Å
21L98.2Very high97.6Very high0 Ų052.2 Ų52.20%024%0.242CC..Hα-helixtrans-61.5-35.3178-64.3179.7000112.4I14 R17 L18 N24 R25 S26 L27 E30I14-L21 HydrophobicContact CG2-CD1 4.18Å; R17-L21 HydrophobicContact CB-CD1 4.09Å; R17-L21 HydrophobicContact CB-CG 4.07Å; R17-L21 WeakPolarHBondContact O-CG 3.47Å; R17-L21 PolarHBondContact O-N 3.25Å; L18-L21 PolarHBondContact O-N 3.24Å; L21-N24 VanDerWaalsContact CA-OD1 3.25Å; L21-N24 WeakPolarHBondContact CA-OD1 3.22Å; L21-N24 PolarHBondContact O-OD1 2.93Å; L21-R25 WeakPolarHBondContact O-CA 3.24Å; L21-R25 PolarHBondContact O-N 2.9Å; L21-R25 VanDerWaalsContact O-N 3.1Å; L21-S26 VanDerWaalsContact CD2-OG 3.24Å; L21-S26 WeakPolarHBondContact CD2-OG 3.29Å; L21-S26 PolarHBondContact O-N 2.54Å; L21-L27 HydrophobicContact CB-CB 4.06Å; L21-L27 HydrophobicContact CB-CD1 4.37Å; L21-L27 HydrophobicContact CD1-CD1 3.86Å; L21-E30 HydrophobicContact CD1-CB 4.42Å; L21-E30 HydrophobicContact CD1-CG 4.25Å; L21-E30 HydrophobicContact CD2-CG 3.76Å
22S97Very high97.4Very high20 Ų2058.7 Ų58.714%0.1427%0.272CS..Hα-helixtrans-66.3-47.1171.1172.20000111.3L18 E20 N24 R25 T128L18-S22 VanDerWaalsContact O-CB 3.29Å; L18-S22 WeakPolarHBondContact O-CB 3.44Å; L18-S22 PolarHBondContact O-N 2.94Å; E20-S22 VanDerWaalsContact C-N 3.26Å; E20-S22 PolarHBondContact O-N 3.48Å; S22-N24 PolarHBondContact O-N 3.12Å; S22-R25 PolarHBondContact O-N 3.18Å; S22-T128 VanDerWaalsContact OG-CB 3.29Å; S22-T128 WeakPolarHBondContact OG-CB 3.48Å; S22-T128 VanDerWaalsContact OG-CG2 3.22Å; S22-T128 WeakPolarHBondContact OG-CG2 3.01Å
23R96.8Very high97.3Very high143 Ų14364.5 Ų64.554%0.5430%0.302SS..Hα-helixtrans-60.4-45.7-178.7-171.6-173.5-69.3114-12.2112.3P19 E20 H129P19-R23 WeakPolarHBondContact O-CB 3.31Å; P19-R23 PolarHBondContact O-N 3.45Å; E20-R23 WeakPolarHBondContact O-CB 3.48Å; E20-R23 PolarHBondContact O-N 2.84Å; R23-H129 WeakPolarHBondContact CA-ND1 3.48Å; R23-H129 HydrophobicContact CB-CB 4.13Å; R23-H129 WeakPolarHBondContact CB-ND1 3.44Å; R23-H129 VanDerWaalsContact CZ-CB 3.4Å; R23-H129 VanDerWaalsContact NH2-CB 3.28Å
24N97.2Very high97.2Very high81 Ų8162.3 Ų62.343%0.43329%0.289SS..THydrogen-bonded Turntrans-90.70.9-176.770.19.4000113.5E20 L21 S22 S26E20-N24 PolarHBondContact O-N 3.23Å; E20-N24 PolarHBondContact O-OD1 3.38Å; L21-N24 VanDerWaalsContact CA-OD1 3.25Å; L21-N24 WeakPolarHBondContact CA-OD1 3.22Å; L21-N24 PolarHBondContact O-OD1 2.93Å; S22-N24 PolarHBondContact O-N 3.12Å; N24-S26 VanDerWaalsContact C-N 3.28Å; N24-S26 PolarHBondContact ND2-OG 2.99Å; N24-S26 PolarHBondContact O-N 3.38Å; N24-S26 VanDerWaalsContact OD1-CB 3.27Å; N24-S26 WeakPolarHBondContact OD1-CB 3.29Å; N24-S26 PolarHBondContact OD1-N 2.92Å; N24-S26 PolarHBondContact OD1-OG 3.49Å
25R96.4Very high97.1Very high162 Ų16265.2 Ų65.261%0.61131%0.308SS*.THydrogen-bonded Turntrans55.737.6-179.6-53.6-175.5-177.8-168.90.1113.9L21 S22 Q65L21-R25 WeakPolarHBondContact O-CA 3.24Å; L21-R25 PolarHBondContact O-N 2.9Å; L21-R25 VanDerWaalsContact O-N 3.1Å; S22-R25 PolarHBondContact O-N 3.18Å; R25-Q65 HydrophobicContact CB-CG 4.19Å; R25-Q65 HydrophobicContact CG-CG 4.41Å; R25-Q65 PolarHBondContact O-NE2 2.98Å
26S97.4Very high97Very high26 Ų2668.6 Ų68.618%0.18233%0.326CS..  trans-106.1-0.8-179.266.90000114.4L21 N24 R28 K29 E30L21-S26 VanDerWaalsContact CD2-OG 3.24Å; L21-S26 WeakPolarHBondContact CD2-OG 3.29Å; L21-S26 PolarHBondContact O-N 2.54Å; N24-S26 VanDerWaalsContact C-N 3.28Å; N24-S26 PolarHBondContact ND2-OG 2.99Å; N24-S26 PolarHBondContact O-N 3.38Å; N24-S26 VanDerWaalsContact OD1-CB 3.27Å; N24-S26 WeakPolarHBondContact OD1-CB 3.29Å; N24-S26 PolarHBondContact OD1-N 2.92Å; N24-S26 PolarHBondContact OD1-OG 3.49Å; S26-R28 VanDerWaalsContact C-N 3.31Å; S26-R28 PolarHBondContact O-N 3.4Å; S26-K29 PolarHBondContact O-N 3.11Å; S26-K29 VanDerWaalsContact O-N 3.17Å; S26-E30 PolarHBondContact O-N 2.84Å
27L98.2Very high96.9Very high0 Ų064.8 Ų64.80%031%0.305CS..Hα-helixtrans-54.4-45.4-177.2178.762.5000112.1I14 L18 L21 K29 E30 I31 V61 Q65I14-L27 HydrophobicContact CG2-CD1 3.9Å; L18-L27 HydrophobicContact CD1-CD1 3.81Å; L18-L27 HydrophobicContact CD1-CD2 3.67Å; L18-L27 HydrophobicContact CD1-CG 4.35Å; L21-L27 HydrophobicContact CB-CB 4.06Å; L21-L27 HydrophobicContact CB-CD1 4.37Å; L21-L27 HydrophobicContact CD1-CD1 3.86Å; L27-K29 VanDerWaalsContact C-N 3.31Å; L27-K29 PolarHBondContact O-N 2.68Å; L27-E30 PolarHBondContact O-N 3.05Å; L27-E30 VanDerWaalsContact O-N 3.1Å; L27-I31 HydrophobicContact CD1-CD1 4.16Å; L27-I31 HydrophobicContact CD1-CG1 3.95Å; L27-I31 HydrophobicContact CG-CG1 4.14Å; L27-I31 WeakPolarHBondContact O-CG1 3.35Å; L27-I31 PolarHBondContact O-N 3.49Å; L27-V61 HydrophobicContact CD2-CB 3.72Å; L27-V61 HydrophobicContact CD2-CG1 3.54Å; L27-Q65 VanDerWaalsContact N-OE1 3.16Å
28R97.6Very high96.7Very high44 Ų4464.1 Ų64.117%0.16631%0.308CS..Hα-helixtrans-57.7-42.3-177.9-61-171179.5154.21.6112.8S26 I31 E32 Y62 V63 D66 G70 T72S26-R28 VanDerWaalsContact C-N 3.31Å; S26-R28 PolarHBondContact O-N 3.4Å; R28-I31 PolarHBondContact O-N 3.4Å; R28-E32 WeakPolarHBondContact O-CG 3.33Å; R28-E32 PolarHBondContact O-N 3.12Å; R28-E32 VanDerWaalsContact O-N 3.07Å; R28-Y62 HydrophobicContact CB-CD2 4.27Å; R28-Y62 HydrophobicContact CB-CE2 3.86Å; R28-Y62 HydrophobicContact CG-CD2 3.73Å; R28-Y62 HydrophobicContact CG-CE2 3.6Å; R28-Y62 HydrophobicContact CG-CG 4.46Å; R28-Y62 PolarHBondContact NE-O 2.82Å; R28-Y62 VanDerWaalsContact NE-O 3.12Å; R28-Y62 PolarHBondContact NH2-O 3.06Å; R28-V63 PolarHBondContact NH2-O 3.42Å; R28-D66 IonicContact CZ-OD2 2.92Å; R28-D66 IonicContact NH1-OD2 2.72Å; R28-D66 PolarHBondContact NH1-OD2 3.38Å; R28-D66 IonicContact NH2-OD2 2.7Å; R28-G70 PolarHBondContact NH2-O 2.75Å; R28-T72 VanDerWaalsContact CZ-CG2 3.43Å
29K96.8Very high96.5Very high150 Ų15064.3 Ų64.365%0.65231%0.309SS*.Hα-helixtrans-65-38.9176.7-65.5179.5178.8178.10112.3S26 L27 I31 E32S26-K29 PolarHBondContact O-N 3.11Å; S26-K29 VanDerWaalsContact O-N 3.17Å; L27-K29 VanDerWaalsContact C-N 3.31Å; L27-K29 PolarHBondContact O-N 2.68Å; K29-I31 VanDerWaalsContact C-N 3.32Å; K29-E32 PolarHBondContact O-N 3.29Å
30E97.4Very high96.2Very high53 Ų5368 Ų6825%0.24833%0.327CS..Hα-helixtrans-67.5-34.5176.2-67.8-84.4-165.500111.5R17 L21 S26 L27 L33 L34R17-E30 IonicContact CZ-OE1 3.62Å; R17-E30 IonicContact NH1-OE1 3.36Å; R17-E30 PolarHBondContact NH1-OE1 3.22Å; R17-E30 IonicContact NH1-OE2 2.69Å; R17-E30 IonicContact NH2-OE1 3.48Å; R17-E30 PolarHBondContact NH2-OE1 3.09Å; L21-E30 HydrophobicContact CD1-CB 4.42Å; L21-E30 HydrophobicContact CD1-CG 4.25Å; L21-E30 HydrophobicContact CD2-CG 3.76Å; S26-E30 PolarHBondContact O-N 2.84Å; L27-E30 PolarHBondContact O-N 3.05Å; L27-E30 VanDerWaalsContact O-N 3.1Å; E30-L33 PolarHBondContact O-N 2.87Å; E30-L34 PolarHBondContact O-N 3.26Å
31I97.5Very high95.9Very high0 Ų065.8 Ų65.80%033%0.331CS..Hα-helixtrans-70.8-34.7176.5-63-62.7000112.2I14 L27 R28 K29 L33 L34 I58 Y62 P76 I79I14-I31 HydrophobicContact CD1-CD1 3.74Å; L27-I31 HydrophobicContact CD1-CD1 4.16Å; L27-I31 HydrophobicContact CD1-CG1 3.95Å; L27-I31 HydrophobicContact CG-CG1 4.14Å; L27-I31 WeakPolarHBondContact O-CG1 3.35Å; L27-I31 PolarHBondContact O-N 3.49Å; R28-I31 PolarHBondContact O-N 3.4Å; K29-I31 VanDerWaalsContact C-N 3.32Å; I31-L33 PolarHBondContact O-N 3.1Å; I31-L34 HydrophobicContact CD1-CD2 4.18Å; I31-L34 VanDerWaalsContact O-CB 3.3Å; I31-L34 WeakPolarHBondContact O-CB 3.27Å; I31-L34 PolarHBondContact O-N 3.07Å; I31-L34 VanDerWaalsContact O-N 3.1Å; I31-I58 HydrophobicContact CD1-CG2 3.51Å; I31-I58 HydrophobicContact CG1-CG2 4.25Å; I31-Y62 HydrophobicContact CB-CD2 4.22Å; I31-Y62 HydrophobicContact CB-CE2 4.2Å; I31-Y62 HydrophobicContact CG1-CD2 4.04Å; I31-Y62 HydrophobicContact CG2-CD2 4.35Å; I31-Y62 HydrophobicContact CG2-CE2 4.19Å; I31-P76 HydrophobicContact CG2-CB 4.31Å; I31-P76 HydrophobicContact CG2-CG 4.13Å; I31-I79 HydrophobicContact CD1-CD1 3.89Å; I31-I79 HydrophobicContact CD1-CG1 4Å; I31-I79 HydrophobicContact CG2-CG1 3.92Å
32E94.6Very high95.7Very high137 Ų13765.8 Ų65.864%0.6433%0.331SS*.Hα-helixtrans-58.5-33.8172.7-72.4167.8-169.400112.3R28 K29R28-E32 WeakPolarHBondContact O-CG 3.33Å; R28-E32 PolarHBondContact O-N 3.12Å; R28-E32 VanDerWaalsContact O-N 3.07Å; K29-E32 PolarHBondContact O-N 3.29Å
33L95.5Very high95.1Very high141 Ų14170 Ų7074%0.73835%0.351SS*.THydrogen-bonded Turntrans-86.3-9179-60.3175.4000113.5E30 I31E30-L33 PolarHBondContact O-N 2.87Å; I31-L33 PolarHBondContact O-N 3.1Å
34L96.3Very high94.9Very high12 Ų1266.6 Ų66.66%0.06334%0.344CS..  trans-70.9131.2-177.3-174.370.4000109.7A10 I14 E30 I31 Q78 I79A10-L34 HydrophobicContact CB-CD1 3.57Å; I14-L34 HydrophobicContact CD1-CD1 3.74Å; I14-L34 HydrophobicContact CD1-CD2 4.14Å; I14-L34 HydrophobicContact CD1-CG 4.36Å; E30-L34 PolarHBondContact O-N 3.26Å; I31-L34 HydrophobicContact CD1-CD2 4.18Å; I31-L34 VanDerWaalsContact O-CB 3.3Å; I31-L34 WeakPolarHBondContact O-CB 3.27Å; I31-L34 PolarHBondContact O-N 3.07Å; I31-L34 VanDerWaalsContact O-N 3.1Å; L34-Q78 HydrophobicContact CD2-CB 4.23Å; L34-Q78 HydrophobicContact CG-CB 4.5Å; L34-Q78 WeakPolarHBondContact O-CG 3.42Å; L34-I79 HydrophobicContact CD2-CD1 3.52Å; L34-I79 HydrophobicContact CD2-CG1 4.43Å
35P95.5Very high94.6Very high70 Ų7066.5 Ų66.546%0.45534%0.341SS..  trans-69.8147.3171.128.8-34.8000110.8L37P35-L37 HydrophobicContact CB-CD2 4.41Å; P35-L37 HydrophobicContact CG-CD2 4.02Å; P35-L37 HydrophobicContact CG-CG 4.5Å; P35-L37 PolarHBondContact O-N 3.29Å
36L95.3Very high94.5Very high73 Ų7366 Ų6638%0.38234%0.343SS..  trans-69.5111.3167.3176.461.3000109V77 Q78 K81 P82L36-V77 HydrophobicContact CD2-CG2 4.39Å; L36-Q78 HydrophobicContact CB-CG 4.3Å; L36-K81 HydrophobicContact CD1-CD 4.45Å; L36-K81 HydrophobicContact CD2-CD 4.48Å; L36-P82 HydrophobicContact CD1-CG 4.11Å
37L95.4Very high94.4Very high31 Ų3166 Ų6616%0.16234%0.34CS..  trans-95.2132.6176.8-58.7-179000110.2W8 A10 W11 P35W8-L37 HydrophobicContact CB-CD1 4.4Å; W8-L37 HydrophobicContact CG-CD1 4.45Å; A10-L37 HydrophobicContact CB-CD1 4.32Å; W11-L37 HydrophobicContact CD2-CD1 4.17Å; W11-L37 HydrophobicContact CG-CD1 4.28Å; W11-L37 HydrophobicContact CH2-CB 4.4Å; W11-L37 HydrophobicContact CZ2-CB 3.82Å; W11-L37 HydrophobicContact CZ2-CD1 4.31Å; P35-L37 HydrophobicContact CB-CD2 4.41Å; P35-L37 HydrophobicContact CG-CD2 4.02Å; P35-L37 HydrophobicContact CG-CG 4.5Å; P35-L37 PolarHBondContact O-N 3.29Å
38D92.8Very high94.2Very high72 Ų7266.6 Ų66.639%0.38534%0.344SS..  trans-76.9170168.967.165.6000111.6K7 W8 D40K7-D38 VanDerWaalsContact CE-OD1 3.24Å; K7-D38 WeakPolarHBondContact CE-OD1 3.5Å; K7-D38 IonicContact NZ-OD1 3.87Å; K7-D38 PolarHBondContact NZ-OD1 2.92Å; K7-D38 IonicContact NZ-OD2 3.58Å; W8-D38 PolarHBondContact NE1-O 2.88Å; D38-D40 WeakPolarHBondContact OD1-CB 3.47Å; D38-D40 PolarHBondContact OD1-N 2.97Å
39L93.7Very high94.1Very high4 Ų467.6 Ų67.62%0.02135%0.347CS..  trans-102.713.7179.6-57.1-173.7000112.7W11 G41 L42 P82 Q85 V86W11-L39 HydrophobicContact CH2-CD2 3.65Å; W11-L39 HydrophobicContact CZ3-CD2 4.18Å; L39-G41 PolarHBondContact O-N 3.16Å; L39-L42 HydrophobicContact CB-CB 4.38Å; L39-L42 HydrophobicContact CD2-CD2 3.95Å; L39-L42 WeakPolarHBondContact O-CB 3.39Å; L39-L42 PolarHBondContact O-N 2.81Å; L39-P82 HydrophobicContact CD2-CB 4.32Å; L39-Q85 HydrophobicContact CD1-CB 3.4Å; L39-Q85 HydrophobicContact CD1-CG 4.47Å; L39-Q85 HydrophobicContact CG-CB 4.47Å; L39-V86 HydrophobicContact CD1-CG2 3.57Å; L39-V86 HydrophobicContact CD2-CG2 3.9Å; L39-V86 HydrophobicContact CG-CG2 4.42Å
40D92.6Very high94.1Very high110 Ų11060.7 Ų60.759%0.58832%0.317SS*.THydrogen-bonded Turntrans-66.2122.1-174.9-63.5-19.8000109.4K7 D38K7-D40 PolarHBondContact NZ-O 3.16Å; D38-D40 WeakPolarHBondContact OD1-CB 3.47Å; D38-D40 PolarHBondContact OD1-N 2.97Å
41G92Very high94.1Very high52 Ų5258.1 Ų58.154%0.53631%0.306SS..THydrogen-bonded Turntrans87.3-2.5-173.800000115.2L39 D43L39-G41 PolarHBondContact O-N 3.16Å; G41-D43 PolarHBondContact O-N 3.04Å
42L92.9Very high94.2Very high0 Ų058.1 Ų58.10%031%0.306CS..  trans-91.268.6175.1-162.985.2000110.8L4 W8 L39 E47 L48 A51 V86 R89L4-L42 HydrophobicContact CD2-CD1 4.02Å; W8-L42 HydrophobicContact CD2-CD1 4.09Å; W8-L42 HydrophobicContact CE3-CD1 3.88Å; W8-L42 HydrophobicContact CH2-CB 3.7Å; W8-L42 HydrophobicContact CH2-CD1 3.81Å; W8-L42 HydrophobicContact CH2-CG 4.39Å; W8-L42 HydrophobicContact CZ2-CB 3.62Å; W8-L42 HydrophobicContact CZ2-CD1 4.03Å; W8-L42 HydrophobicContact CZ2-CG 4.37Å; W8-L42 HydrophobicContact CZ3-CB 4.47Å; W8-L42 HydrophobicContact CZ3-CD1 3.72Å; L39-L42 HydrophobicContact CB-CB 4.38Å; L39-L42 HydrophobicContact CD2-CD2 3.95Å; L39-L42 WeakPolarHBondContact O-CB 3.39Å; L39-L42 PolarHBondContact O-N 2.81Å; L42-E47 HydrophobicContact CD1-CB 3.73Å; L42-E47 HydrophobicContact CD1-CG 4.35Å; L42-E47 HydrophobicContact CG-CB 4.22Å; L42-L48 HydrophobicContact CD2-CD2 4.07Å; L42-L48 HydrophobicContact CG-CD2 4.39Å; L42-L48 VanDerWaalsContact O-CD2 3.28Å; L42-L48 WeakPolarHBondContact O-CD2 3.37Å; L42-A51 HydrophobicContact CD2-CB 3.6Å; L42-V86 HydrophobicContact CD2-CG2 4.26Å; L42-R89 PolarHBondContact O-NH1 2.67Å
43D85.4Confident94.3Very high108 Ų10851.6 Ų51.658%0.57828%0.275SS*.  trans-112.6-17.6-169.4-57.9-45000113.6G41 R89G41-D43 PolarHBondContact O-N 3.04Å; D43-R89 IonicContact OD1-CZ 3.82Å; D43-R89 IonicContact OD1-NH1 2.8Å; D43-R89 PolarHBondContact OD1-NH1 2.83Å
44N91.3Very high94.5Very high72 Ų7244.9 Ų44.939%0.38524%0.24SC..SBendtrans-78.5143.6179.281.661.8000111.9K46 E47 L48N44-K46 VanDerWaalsContact C-N 3.28Å; N44-K46 PolarHBondContact O-N 2.81Å; N44-K46 PolarHBondContact OD1-N 3.27Å; N44-E47 WeakPolarHBondContact ND2-CG 3.26Å; N44-E47 PolarHBondContact ND2-OE1 3.32Å; N44-E47 PolarHBondContact ND2-OE2 3.19Å; N44-E47 PolarHBondContact O-N 3.2Å; N44-E47 VanDerWaalsContact OD1-CB 3.32Å; N44-E47 WeakPolarHBondContact OD1-CB 3.31Å; N44-E47 WeakPolarHBondContact OD1-CG 3.1Å; N44-E47 PolarHBondContact OD1-N 3.25Å; N44-L48 PolarHBondContact O-N 3.1Å
45H92Very high94.6Very high79 Ų7944.3 Ų44.337%0.36624%0.237SC..Hα-helixtrans-61.7-33-172.2-173.789.6000113.5R49H45-R49 VanDerWaalsContact NE2-CD 3.27Å; H45-R49 WeakPolarHBondContact NE2-CD 3.25Å; H45-R49 WeakPolarHBondContact O-CB 3.47Å; H45-R49 WeakPolarHBondContact O-CG 3.33Å; H45-R49 PolarHBondContact O-N 3.28Å
46K93.4Very high94.7Very high153 Ų15341 Ų4167%0.66522%0.215SC*.Hα-helixtrans-69.7-40178.9-68.1-179.7-178.2174.50111.6M1 N44 L50M1-K46 HydrophobicContact SD-CB 4.39Å; N44-K46 VanDerWaalsContact C-N 3.28Å; N44-K46 PolarHBondContact O-N 2.81Å; N44-K46 PolarHBondContact OD1-N 3.27Å; K46-L50 PolarHBondContact O-N 2.92Å; K46-L50 VanDerWaalsContact O-N 3.08Å
47E95.4Very high94.9Very high25 Ų2537.5 Ų37.512%0.11720%0.197CC..Hα-helixtrans-68.7-44.7174.9-81.1172.9-162.300111.9M1 L4 P5 L42 N44 R49 L50 A51M1-E47 HydrophobicContact CE-CG 3.54Å; M1-E47 HydrophobicContact SD-CG 3.81Å; L4-E47 HydrophobicContact CD2-CB 4.14Å; L4-E47 HydrophobicContact CD2-CG 4.19Å; L4-E47 WeakPolarHBondContact CD2-O 3.24Å; P5-E47 WeakPolarHBondContact CG-OE1 3.5Å; L42-E47 HydrophobicContact CD1-CB 3.73Å; L42-E47 HydrophobicContact CD1-CG 4.35Å; L42-E47 HydrophobicContact CG-CB 4.22Å; N44-E47 WeakPolarHBondContact ND2-CG 3.26Å; N44-E47 PolarHBondContact ND2-OE1 3.32Å; N44-E47 PolarHBondContact ND2-OE2 3.19Å; N44-E47 PolarHBondContact O-N 3.2Å; N44-E47 VanDerWaalsContact OD1-CB 3.32Å; N44-E47 WeakPolarHBondContact OD1-CB 3.31Å; N44-E47 WeakPolarHBondContact OD1-CG 3.1Å; N44-E47 PolarHBondContact OD1-N 3.25Å; E47-R49 VanDerWaalsContact C-N 3.34Å; E47-R49 PolarHBondContact O-N 3.44Å; E47-L50 PolarHBondContact O-N 3.41Å; E47-A51 WeakPolarHBondContact O-CB 3.38Å; E47-A51 PolarHBondContact O-N 3.26Å
48L95.4Very high95Very high13 Ų1336 Ų367%0.06819%0.189CC..Hα-helixtrans-57.5-46.3175-74.4169.3000111.4L42 N44 L50 A51 H52 V86 R89 L90L42-L48 HydrophobicContact CD2-CD2 4.07Å; L42-L48 HydrophobicContact CG-CD2 4.39Å; L42-L48 VanDerWaalsContact O-CD2 3.28Å; L42-L48 WeakPolarHBondContact O-CD2 3.37Å; N44-L48 PolarHBondContact O-N 3.1Å; L48-L50 PolarHBondContact O-N 2.95Å; L48-A51 PolarHBondContact O-N 3.24Å; L48-H52 WeakPolarHBondContact O-CB 3.46Å; L48-H52 PolarHBondContact O-N 3.42Å; L48-V86 HydrophobicContact CB-CG1 4.41Å; L48-V86 HydrophobicContact CD2-CG1 4.08Å; L48-V86 HydrophobicContact CD2-CG2 4.36Å; L48-V86 VanDerWaalsContact O-CG1 3.23Å; L48-V86 WeakPolarHBondContact O-CG1 3.4Å; L48-R89 HydrophobicContact CD1-CB 4.2Å; L48-R89 HydrophobicContact CD2-CB 4.19Å; L48-L90 HydrophobicContact CB-CD1 4.37Å; L48-L90 HydrophobicContact CB-CD2 3.73Å; L48-L90 HydrophobicContact CB-CG 4.02Å
49R95.5Very high95.3Very high64 Ų6432.6 Ų32.624%0.24217%0.171CC..Hα-helixtrans-60.2-43.3175.4-77.3178.164.6-163.51112.3H45 E47 K53 L90 E99H45-R49 VanDerWaalsContact NE2-CD 3.27Å; H45-R49 WeakPolarHBondContact NE2-CD 3.25Å; H45-R49 WeakPolarHBondContact O-CB 3.47Å; H45-R49 WeakPolarHBondContact O-CG 3.33Å; H45-R49 PolarHBondContact O-N 3.28Å; E47-R49 VanDerWaalsContact C-N 3.34Å; E47-R49 PolarHBondContact O-N 3.44Å; R49-K53 WeakPolarHBondContact O-CB 3.16Å; R49-K53 PolarHBondContact O-N 3.46Å; R49-L90 HydrophobicContact CG-CD1 4.38Å; R49-L90 HydrophobicContact CG-CD2 4.01Å; R49-E99 IonicContact CZ-OE1 3.23Å; R49-E99 IonicContact NE-OE1 3.95Å; R49-E99 PolarHBondContact NE-OE1 3.37Å; R49-E99 IonicContact NH2-OE1 2.78Å; R49-E99 PolarHBondContact NH2-OE1 3.33Å
50L96.6Very high95.5Very high5 Ų532.5 Ų32.53%0.02617%0.171CC..Hα-helixtrans-67-40.9178.1-179.456.9000112M1 L4 K46 E47 L48 K53 I54M1-L50 HydrophobicContact CB-CD2 4.21Å; M1-L50 HydrophobicContact CG-CD2 3.8Å; M1-L50 HydrophobicContact SD-CD2 4.31Å; L4-L50 HydrophobicContact CD2-CB 4.02Å; L4-L50 HydrophobicContact CD2-CD2 3.99Å; L4-L50 HydrophobicContact CD2-CG 4.03Å; L4-L50 HydrophobicContact CG-CD2 4.01Å; L4-L50 HydrophobicContact CG-CG 4.08Å; K46-L50 PolarHBondContact O-N 2.92Å; K46-L50 VanDerWaalsContact O-N 3.08Å; E47-L50 PolarHBondContact O-N 3.41Å; L48-L50 PolarHBondContact O-N 2.95Å; L50-K53 PolarHBondContact O-N 3.4Å; L50-I54 HydrophobicContact CD1-CD1 4.04Å; L50-I54 HydrophobicContact CD1-CG1 4.2Å; L50-I54 HydrophobicContact CG-CD1 3.94Å; L50-I54 VanDerWaalsContact O-CG1 3.27Å; L50-I54 WeakPolarHBondContact O-CG1 3.47Å; L50-I54 PolarHBondContact O-N 2.82Å
51A97.8Very high95.7Very high0 Ų027.3 Ų27.30%014%0.143CC..Hα-helixtrans-63.9-44.4176.400000111.8L4 W11 L42 E47 L48 K53 I54 L55 V86L4-A51 HydrophobicContact CD1-CB 4Å; L4-A51 HydrophobicContact CD2-CB 4.41Å; W11-A51 HydrophobicContact CZ3-CB 4.2Å; L42-A51 HydrophobicContact CD2-CB 3.6Å; E47-A51 WeakPolarHBondContact O-CB 3.38Å; E47-A51 PolarHBondContact O-N 3.26Å; L48-A51 PolarHBondContact O-N 3.24Å; A51-K53 PolarHBondContact O-N 3.37Å; A51-I54 PolarHBondContact O-N 3.33Å; A51-L55 WeakPolarHBondContact O-CB 3.1Å; A51-L55 WeakPolarHBondContact O-CD1 3.16Å; A51-L55 VanDerWaalsContact O-CG 3.3Å; A51-L55 WeakPolarHBondContact O-CG 3.45Å; A51-L55 PolarHBondContact O-N 2.97Å; A51-V86 HydrophobicContact CB-CG1 4.47Å; A51-V86 HydrophobicContact CB-CG2 4.18Å
52H97.7Very high96Very high0 Ų025.9 Ų25.90%012%0.122CC..Hα-helixtrans-57.4-50.8175-169.8-90.3000110.5L48 I54 L55 A56 V86 S87 L90 I92 Q93 I95 D100L48-H52 WeakPolarHBondContact O-CB 3.46Å; L48-H52 PolarHBondContact O-N 3.42Å; H52-I54 PolarHBondContact O-N 2.91Å; H52-L55 PolarHBondContact O-N 3.37Å; H52-A56 WeakPolarHBondContact O-CB 3.41Å; H52-A56 PolarHBondContact O-N 3.31Å; H52-V86 HydrophobicContact CB-CG1 3.69Å; H52-S87 PolarHBondContact CD2-OG 3.08Å; H52-S87 VanDerWaalsContact CD2-OG 3.28Å; H52-S87 PolarHBondContact NE2-OG 3.37Å; H52-S87 VanDerWaalsContact NE2-OG 3.15Å; H52-L90 HydrophobicContact CB-CD1 3.66Å; H52-I92 WeakPolarHBondContact NE2-CG2 3.42Å; H52-Q93 PolarHBondContact CE1-O 3.23Å; H52-Q93 PolarHBondContact NE2-O 2.94Å; H52-Q93 VanDerWaalsContact NE2-O 3.15Å; H52-I95 PolarHBondContact CE1-O 3.1Å; H52-D100 IonicContact CE1-OD1 2.74Å; H52-D100 IonicContact CE1-OD2 2.62Å; H52-D100 PolarHBondContact CE1-OD2 3.43Å; H52-D100 IonicContact CG-OD1 3.93Å; H52-D100 IonicContact ND1-OD1 2.65Å; H52-D100 PolarHBondContact ND1-OD1 3.3Å; H52-D100 IonicContact ND1-OD2 2.78Å; H52-D100 PolarHBondContact ND1-OD2 3.02Å
53K98.1Very high96.3Very high0 Ų025.9 Ų25.90%012%0.122CC..Hα-helixtrans-53.9-50.9177.2179.5178.769.9170.50112.2R49 L50 A51 A56 F57 D100 S104 N105R49-K53 WeakPolarHBondContact O-CB 3.16Å; R49-K53 PolarHBondContact O-N 3.46Å; L50-K53 PolarHBondContact O-N 3.4Å; A51-K53 PolarHBondContact O-N 3.37Å; K53-A56 PolarHBondContact O-N 3.11Å; K53-F57 HydrophobicContact CD-CE1 4.35Å; K53-F57 HydrophobicContact CD-CZ 4.4Å; K53-F57 HydrophobicContact CG-CD1 3.9Å; K53-F57 HydrophobicContact CG-CE1 3.71Å; K53-F57 HydrophobicContact CG-CZ 4.2Å; K53-F57 WeakPolarHBondContact O-CB 3.5Å; K53-F57 WeakPolarHBondContact O-CD1 3.41Å; K53-F57 WeakPolarHBondContact O-CG 3.46Å; K53-F57 PolarHBondContact O-N 3.36Å; K53-D100 WeakPolarHBondContact CA-OD1 3.42Å; K53-D100 HydrophobicContact CB-CB 4.1Å; K53-D100 WeakPolarHBondContact CD-O 3.35Å; K53-D100 HydrophobicContact CG-CB 4.07Å; K53-D100 WeakPolarHBondContact CG-O 3.38Å; K53-D100 PolarHBondContact N-OD1 2.79Å; K53-S104 PolarHBondContact NZ-O 3.45Å; K53-N105 HydrophobicContact CD-CB 3.95Å; K53-N105 PolarHBondContact NZ-OD1 3.03Å
54I98.4Very high96.8Very high0 Ų021.1 Ų21.10%010%0.095CC..Hα-helixtrans-59.4-52.8-178.6-69.1166.3000110.5L4 W11 I15 L50 A51 H52 A56 F57 I58L4-I54 HydrophobicContact CD1-CD1 3.87Å; L4-I54 HydrophobicContact CG-CD1 4.14Å; W11-I54 HydrophobicContact CB-CG2 3.92Å; I15-I54 HydrophobicContact CB-CB 4.47Å; I15-I54 HydrophobicContact CB-CG1 4.02Å; I15-I54 HydrophobicContact CB-CG2 3.94Å; I15-I54 HydrophobicContact CG1-CG1 4.05Å; I15-I54 HydrophobicContact CG2-CD1 4.13Å; I15-I54 HydrophobicContact CG2-CG1 3.94Å; I15-I54 HydrophobicContact CG2-CG2 4.4Å; L50-I54 HydrophobicContact CD1-CD1 4.04Å; L50-I54 HydrophobicContact CD1-CG1 4.2Å; L50-I54 HydrophobicContact CG-CD1 3.94Å; L50-I54 VanDerWaalsContact O-CG1 3.27Å; L50-I54 WeakPolarHBondContact O-CG1 3.47Å; L50-I54 PolarHBondContact O-N 2.82Å; A51-I54 PolarHBondContact O-N 3.33Å; H52-I54 PolarHBondContact O-N 2.91Å; I54-A56 VanDerWaalsContact C-N 3.32Å; I54-A56 PolarHBondContact O-N 3.32Å; I54-F57 PolarHBondContact O-N 3.08Å; I54-I58 HydrophobicContact CG2-CD1 3.66Å; I54-I58 VanDerWaalsContact O-CG1 3.27Å; I54-I58 WeakPolarHBondContact O-CG1 3.31Å; I54-I58 PolarHBondContact O-N 3.33Å
55L98.5Very high97Very high0 Ų019 Ų190%08%0.083CC..Hα-helixtrans-64.2-38.7-177.5-69.3164.5000111.7W11 A51 H52 C59 I79 P82 L83 V86W11-L55 HydrophobicContact CD2-CD2 4.29Å; W11-L55 HydrophobicContact CH2-CD1 4.11Å; W11-L55 HydrophobicContact CZ2-CD1 4.37Å; W11-L55 HydrophobicContact CZ2-CD2 4.05Å; W11-L55 HydrophobicContact CZ3-CD1 4.24Å; A51-L55 WeakPolarHBondContact O-CB 3.1Å; A51-L55 WeakPolarHBondContact O-CD1 3.16Å; A51-L55 VanDerWaalsContact O-CG 3.3Å; A51-L55 WeakPolarHBondContact O-CG 3.45Å; A51-L55 PolarHBondContact O-N 2.97Å; H52-L55 PolarHBondContact O-N 3.37Å; L55-C59 WeakPolarHBondContact O-CB 3.3Å; L55-C59 PolarHBondContact O-N 3.39Å; L55-I79 HydrophobicContact CD2-CD1 3.96Å; L55-I79 HydrophobicContact CD2-CG2 4.25Å; L55-P82 HydrophobicContact CD1-CB 3.78Å; L55-P82 HydrophobicContact CD2-CB 4.26Å; L55-L83 HydrophobicContact CB-CB 4.07Å; L55-L83 HydrophobicContact CB-CD1 3.9Å; L55-L83 HydrophobicContact CB-CG 4.41Å; L55-L83 HydrophobicContact CD1-CB 4.43Å; L55-V86 HydrophobicContact CD1-CG2 4.38Å
56A98.4Very high97Very high0 Ų018.3 Ų18.30%08%0.082CC..Hα-helixtrans-69.7-39.117900000112.6H52 K53 I54 S60 L83 L96H52-A56 WeakPolarHBondContact O-CB 3.41Å; H52-A56 PolarHBondContact O-N 3.31Å; K53-A56 PolarHBondContact O-N 3.11Å; I54-A56 VanDerWaalsContact C-N 3.32Å; I54-A56 PolarHBondContact O-N 3.32Å; A56-S60 PolarHBondContact O-N 3.04Å; A56-L83 HydrophobicContact CB-CD1 4.31Å; A56-L96 HydrophobicContact CB-CB 4.43Å
57F98.6Very high96.9Very high0 Ų011.8 Ų11.80%06%0.059CC..Hα-helixtrans-62.3-51.4172.5-86.942.6000110.6I15 L18 K53 I54 C59 S60 V61 L96 D100 L101 H125 P127I15-F57 HydrophobicContact CD1-CB 3.69Å; I15-F57 HydrophobicContact CD1-CD2 3.81Å; I15-F57 HydrophobicContact CD1-CG 4.07Å; L18-F57 HydrophobicContact CD2-CB 3.78Å; L18-F57 HydrophobicContact CD2-CD2 4.42Å; K53-F57 HydrophobicContact CD-CE1 4.35Å; K53-F57 HydrophobicContact CD-CZ 4.4Å; K53-F57 HydrophobicContact CG-CD1 3.9Å; K53-F57 HydrophobicContact CG-CE1 3.71Å; K53-F57 HydrophobicContact CG-CZ 4.2Å; K53-F57 WeakPolarHBondContact O-CB 3.5Å; K53-F57 WeakPolarHBondContact O-CD1 3.41Å; K53-F57 WeakPolarHBondContact O-CG 3.46Å; K53-F57 PolarHBondContact O-N 3.36Å; I54-F57 PolarHBondContact O-N 3.08Å; F57-C59 VanDerWaalsContact C-N 3.33Å; F57-C59 PolarHBondContact O-N 3.11Å; F57-S60 PolarHBondContact O-N 3.05Å; F57-V61 WeakPolarHBondContact O-CG2 3.4Å; F57-V61 PolarHBondContact O-N 2.77Å; F57-V61 VanDerWaalsContact O-N 3.11Å; F57-L96 HydrophobicContact CD1-CD1 3.39Å; F57-L96 HydrophobicContact CE1-CD1 3.32Å; F57-L96 HydrophobicContact CZ-CD1 4.43Å; F57-D100 HydrophobicContact CE1-CB 4.1Å; F57-L101 HydrophobicContact CE1-CD1 4.39Å; F57-L101 HydrophobicContact CZ-CD1 3.98Å; F57-H125 HydrophobicContact CE2-CB 4.28Å; F57-P127 HydrophobicContact CD2-CB 4.29Å; F57-P127 HydrophobicContact CD2-CG 3.9Å; F57-P127 HydrophobicContact CE2-CG 3.66Å; F57-P127 HydrophobicContact CZ-CG 4.09Å
58I98.6Very high96.6Very high0 Ų013.8 Ų13.80%07%0.068CC..Hα-helixtrans-57.4-48.4177.8-69.8167.3000110.4I14 L18 I31 I54 S60 V61 Y62 I79I14-I58 HydrophobicContact CB-CD1 4.01Å; I14-I58 HydrophobicContact CG2-CD1 3.52Å; I14-I58 HydrophobicContact CG2-CG1 3.72Å; L18-I58 HydrophobicContact CD1-CG1 4.36Å; I31-I58 HydrophobicContact CD1-CG2 3.51Å; I31-I58 HydrophobicContact CG1-CG2 4.25Å; I54-I58 HydrophobicContact CG2-CD1 3.66Å; I54-I58 VanDerWaalsContact O-CG1 3.27Å; I54-I58 WeakPolarHBondContact O-CG1 3.31Å; I54-I58 PolarHBondContact O-N 3.33Å; I58-S60 PolarHBondContact O-N 2.71Å; I58-V61 PolarHBondContact O-N 3.04Å; I58-Y62 WeakPolarHBondContact O-CB 3.41Å; I58-Y62 PolarHBondContact O-N 3.48Å; I58-I79 HydrophobicContact CG2-CD1 3.84Å; I58-I79 HydrophobicContact CG2-CG1 4.06Å; I58-I79 HydrophobicContact CG2-CG2 4.43Å
59C98.3Very high96.3Very high0 Ų015.1 Ų15.10%09%0.085CC..Hα-helixtrans-55.5-49.5178.9176.70000111.7L55 F57 V61 Y62 V63 L75 I79 L83 W210L55-C59 WeakPolarHBondContact O-CB 3.3Å; L55-C59 PolarHBondContact O-N 3.39Å; F57-C59 VanDerWaalsContact C-N 3.33Å; F57-C59 PolarHBondContact O-N 3.11Å; C59-V61 PolarHBondContact O-N 3.17Å; C59-Y62 PolarHBondContact O-N 3.34Å; C59-V63 WeakPolarHBondContact O-CG2 3.32Å; C59-V63 PolarHBondContact O-N 2.81Å; C59-L75 HydrophobicContact CB-CD1 4.29Å; C59-L75 HydrophobicContact CB-CD2 4.21Å; C59-L75 WeakPolarHBondContact SG-CD2 3.34Å; C59-I79 HydrophobicContact CB-CG2 4.21Å; C59-L83 HydrophobicContact CB-CD2 3.89Å; C59-W210 WeakPolarHBondContact SG-CZ2 3.34Å
60S98.1Very high96.1Very high2 Ų213.2 Ų13.21%0.0149%0.085CC..Hα-helixtrans-63.3-43.8-178.8-154.40000113.2A56 F57 I58 W64 I206A56-S60 PolarHBondContact O-N 3.04Å; F57-S60 PolarHBondContact O-N 3.05Å; I58-S60 PolarHBondContact O-N 2.71Å; S60-W64 PolarHBondContact O-N 3.14Å; S60-W64 VanDerWaalsContact O-N 3.11Å; S60-I206 PolarHBondContact OG-O 2.83Å
61V98.2Very high96Very high1 Ų113.4 Ų13.41%0.0069%0.086CC..Hα-helixtrans-69.4-38178.5-179.10000111.3L18 L27 F57 I58 C59 Q65 P127 T128 I206L18-V61 HydrophobicContact CD1-CB 4.15Å; L18-V61 HydrophobicContact CD1-CG1 4.17Å; L18-V61 HydrophobicContact CD1-CG2 4.31Å; L18-V61 HydrophobicContact CD2-CG2 4.07Å; L18-V61 HydrophobicContact CG-CG2 4.26Å; L27-V61 HydrophobicContact CD2-CB 3.72Å; L27-V61 HydrophobicContact CD2-CG1 3.54Å; F57-V61 WeakPolarHBondContact O-CG2 3.4Å; F57-V61 PolarHBondContact O-N 2.77Å; F57-V61 VanDerWaalsContact O-N 3.11Å; I58-V61 PolarHBondContact O-N 3.04Å; C59-V61 PolarHBondContact O-N 3.17Å; V61-Q65 VanDerWaalsContact O-CA 3.32Å; V61-Q65 WeakPolarHBondContact O-CA 3.3Å; V61-Q65 WeakPolarHBondContact O-CB 3.46Å; V61-Q65 PolarHBondContact O-N 3.18Å; V61-P127 HydrophobicContact CG2-CB 4.3Å; V61-P127 WeakPolarHBondContact CG2-O 3.37Å; V61-T128 HydrophobicContact CG2-CG2 4.11Å; V61-I206 HydrophobicContact CG2-CG2 4.26Å
62Y98.2Very high95.9Very high22 Ų2214.3 Ų14.39%0.0869%0.091CC..Hα-helixtrans-60.8-48.2178.2176.2-85.9000111.5R28 I31 I58 C59 T72 L75 P76R28-Y62 HydrophobicContact CB-CD2 4.27Å; R28-Y62 HydrophobicContact CB-CE2 3.86Å; R28-Y62 HydrophobicContact CG-CD2 3.73Å; R28-Y62 HydrophobicContact CG-CE2 3.6Å; R28-Y62 HydrophobicContact CG-CG 4.46Å; R28-Y62 PolarHBondContact NE-O 2.82Å; R28-Y62 VanDerWaalsContact NE-O 3.12Å; R28-Y62 PolarHBondContact NH2-O 3.06Å; I31-Y62 HydrophobicContact CB-CD2 4.22Å; I31-Y62 HydrophobicContact CB-CE2 4.2Å; I31-Y62 HydrophobicContact CG1-CD2 4.04Å; I31-Y62 HydrophobicContact CG2-CD2 4.35Å; I31-Y62 HydrophobicContact CG2-CE2 4.19Å; I58-Y62 WeakPolarHBondContact O-CB 3.41Å; I58-Y62 PolarHBondContact O-N 3.48Å; C59-Y62 PolarHBondContact O-N 3.34Å; Y62-T72 HydrophobicContact CD1-CG2 4.22Å; Y62-T72 HydrophobicContact CE1-CG2 3.65Å; Y62-T72 WeakPolarHBondContact CE1-OG1 3.42Å; Y62-L75 HydrophobicContact CD1-CD1 3.85Å; Y62-L75 HydrophobicContact CE1-CD1 4.34Å; Y62-L75 HydrophobicContact CG-CD1 4.37Å; Y62-P76 HydrophobicContact CE1-CG 4.22Å; Y62-P76 HydrophobicContact CE2-CG 4.07Å; Y62-P76 VanDerWaalsContact CZ-CD 3.44Å; Y62-P76 WeakPolarHBondContact OH-CD 3.42Å; Y62-P76 VanDerWaalsContact OH-CG 3.27Å; Y62-P76 WeakPolarHBondContact OH-CG 3.49Å
63V97.6Very high95.7Very high0 Ų019 Ų190%011%0.113CC..Hα-helixtrans-64.7-50.2-179.8174.80000109.9R28 C59 Q65 E71 T72 W210 L215 L220R28-V63 PolarHBondContact NH2-O 3.42Å; C59-V63 WeakPolarHBondContact O-CG2 3.32Å; C59-V63 PolarHBondContact O-N 2.81Å; V63-Q65 PolarHBondContact O-N 3.49Å; V63-E71 HydrophobicContact CG1-CB 4.15Å; V63-E71 WeakPolarHBondContact O-CA 3.42Å; V63-T72 PolarHBondContact O-N 2.96Å; V63-W210 HydrophobicContact CB-CE3 4.48Å; V63-W210 HydrophobicContact CB-CH2 3.84Å; V63-W210 HydrophobicContact CB-CZ3 3.55Å; V63-W210 HydrophobicContact CG1-CE3 3.96Å; V63-W210 HydrophobicContact CG1-CH2 4.22Å; V63-W210 HydrophobicContact CG1-CZ3 3.43Å; V63-W210 VanDerWaalsContact CG1-CZ3 3.43Å; V63-W210 HydrophobicContact CG2-CH2 3.64Å; V63-W210 HydrophobicContact CG2-CZ2 4.4Å; V63-W210 HydrophobicContact CG2-CZ3 3.72Å; V63-L215 HydrophobicContact CG1-CD1 3.79Å; V63-L220 HydrophobicContact CG2-CD1 3.94Å; V63-L220 HydrophobicContact CG2-CD2 3.74Å
64W96.4Very high95.6Very high7 Ų720.7 Ų20.73%0.02713%0.125CC..Hα-helixtrans-91.88.2-172-65.4113.2000115.5S60 D66 G67 E71 I206 C208 G209 W210 H212 L215 I364S60-W64 PolarHBondContact O-N 3.14Å; S60-W64 VanDerWaalsContact O-N 3.11Å; W64-D66 PolarHBondContact O-N 3.08Å; W64-D66 VanDerWaalsContact O-N 3.11Å; W64-G67 PolarHBondContact O-N 3.24Å; W64-E71 HydrophobicContact CE3-CB 3.93Å; W64-E71 HydrophobicContact CH2-CB 4.36Å; W64-E71 HydrophobicContact CH2-CG 4.33Å; W64-E71 HydrophobicContact CZ3-CB 3.78Å; W64-E71 HydrophobicContact CZ3-CG 4.02Å; W64-I206 HydrophobicContact CB-CD1 3.94Å; W64-C208 WeakPolarHBondContact CZ2-SG 3.43Å; W64-C208 PolarHBondContact NE1-SG 3.46Å; W64-G209 VanDerWaalsContact CZ2-O 3.31Å; W64-G209 WeakPolarHBondContact CZ2-O 3.31Å; W64-W210 AromaticContact CD1-CZ3 3.92Å; W64-W210 AromaticContact NE1-CE3 3.94Å; W64-W210 AromaticContact NE1-CZ3 3.37Å; W64-H212 HydrophobicContact CH2-CB 4.31Å; W64-L215 HydrophobicContact CZ2-CD1 4.43Å; W64-I364 HydrophobicContact CD2-CD1 4Å; W64-I364 HydrophobicContact CE3-CD1 3.61Å; W64-I364 HydrophobicContact CE3-CG1 4.41Å; W64-I364 HydrophobicContact CH2-CD1 3.73Å; W64-I364 HydrophobicContact CZ2-CD1 4.1Å; W64-I364 HydrophobicContact CZ3-CD1 3.46Å; W64-I364 VanDerWaalsContact CZ3-CD1 3.46Å; W64-I364 HydrophobicContact CZ3-CG1 4.14Å
65Q95.7Very high95.5Very high27 Ų2720.7 Ų20.713%0.12613%0.125CC..THydrogen-bonded Turntrans-49.7-43.4-173.6-170.1-174.7-98.900113.6R25 L27 V61 V63R25-Q65 HydrophobicContact CB-CG 4.19Å; R25-Q65 HydrophobicContact CG-CG 4.41Å; R25-Q65 PolarHBondContact O-NE2 2.98Å; L27-Q65 VanDerWaalsContact N-OE1 3.16Å; V61-Q65 VanDerWaalsContact O-CA 3.32Å; V61-Q65 WeakPolarHBondContact O-CA 3.3Å; V61-Q65 WeakPolarHBondContact O-CB 3.46Å; V61-Q65 PolarHBondContact O-N 3.18Å; V63-Q65 PolarHBondContact O-N 3.49Å
66D92.9Very high95.4Very high66 Ų6621.5 Ų21.535%0.35313%0.13SC..THydrogen-bonded Turntrans-1009-176.1-62.2-35.1000113.2R28 W64R28-D66 IonicContact CZ-OD2 2.92Å; R28-D66 IonicContact NH1-OD2 2.72Å; R28-D66 PolarHBondContact NH1-OD2 3.38Å; R28-D66 IonicContact NH2-OD2 2.7Å; W64-D66 PolarHBondContact O-N 3.08Å; W64-D66 VanDerWaalsContact O-N 3.11Å
67G90.3Very high95.2Very high16 Ų1622 Ų2217%0.16513%0.134CC..  trans72.2-166.8179.300000114.2W64 G70 E71W64-G67 PolarHBondContact O-N 3.24Å; G67-G70 CarbonylContact O-C 3.52Å; G67-G70 PolarHBondContact O-N 2.74Å; G67-E71 PolarHBondContact O-N 3.28Å
68E88.4Confident95.1Very high66 Ų6623.7 Ų23.731%0.30814%0.141SC..THydrogen-bonded Turntrans-63.8134.1178.3-175.6172.2-151.800111.8G70 E71 K363 I364 K365E68-G70 PolarHBondContact O-N 3.49Å; E68-E71 WeakPolarHBondContact CA-OE2 3.34Å; E68-K363 WeakPolarHBondContact CB-O 3.44Å; E68-I364 HydrophobicContact CB-CG1 4.29Å; E68-I364 VanDerWaalsContact OE2-CA 3.31Å; E68-I364 WeakPolarHBondContact OE2-CA 3.29Å; E68-K365 WeakPolarHBondContact OE2-CG 3.36Å; E68-K365 PolarHBondContact OE2-N 3.48Å
69G89.5Confident95.1Very high41 Ų4123.7 Ų23.742%0.42314%0.141SC..THydrogen-bonded Turntrans87.9-23.1-170.500000113.5E71 K214G69-E71 WeakPolarHBondContact CA-OE2 3.4Å; G69-E71 PolarHBondContact N-OE2 3.22Å; G69-K214 WeakPolarHBondContact O-CE 3.21Å; G69-K214 PolarHBondContact O-NZ 2.91Å
70G92.6Very high94.9Very high24 Ų2423.7 Ų23.725%0.24714%0.141CC..SBendtrans-106.12.6-179.500000114.6R28 G67 E68R28-G70 PolarHBondContact NH2-O 2.75Å; G67-G70 CarbonylContact O-C 3.52Å; G67-G70 PolarHBondContact O-N 2.74Å; E68-G70 PolarHBondContact O-N 3.49Å
71E94.1Very high94.7Very high10 Ų1026.8 Ų26.85%0.04715%0.154CC..  trans-65.9144.4-18065.8-82.6-162.900113.2V63 W64 G67 E68 G69 K214 L215V63-E71 HydrophobicContact CG1-CB 4.15Å; V63-E71 WeakPolarHBondContact O-CA 3.42Å; W64-E71 HydrophobicContact CE3-CB 3.93Å; W64-E71 HydrophobicContact CH2-CB 4.36Å; W64-E71 HydrophobicContact CH2-CG 4.33Å; W64-E71 HydrophobicContact CZ3-CB 3.78Å; W64-E71 HydrophobicContact CZ3-CG 4.02Å; G67-E71 PolarHBondContact O-N 3.28Å; E68-E71 WeakPolarHBondContact CA-OE2 3.34Å; G69-E71 WeakPolarHBondContact CA-OE2 3.4Å; G69-E71 PolarHBondContact N-OE2 3.22Å; E71-K214 HydrophobicContact CG-CB 4.32Å; E71-K214 WeakPolarHBondContact OE1-CA 3.35Å; E71-K214 WeakPolarHBondContact OE1-CB 3.17Å; E71-K214 WeakPolarHBondContact OE1-CG 3.32Å; E71-K214 PolarHBondContact OE1-N 2.86Å; E71-L215 HydrophobicContact CG-CD1 4.5Å; E71-L215 HydrophobicContact CG-CG 4.18Å
72T95Very high94.6Very high19 Ų1926.7 Ų26.712%0.11715%0.154CC..  trans-79.1143.2176.466.70000111.1R28 Y62 V63 S74 L220R28-T72 VanDerWaalsContact CZ-CG2 3.43Å; Y62-T72 HydrophobicContact CD1-CG2 4.22Å; Y62-T72 HydrophobicContact CE1-CG2 3.65Å; Y62-T72 WeakPolarHBondContact CE1-OG1 3.42Å; V63-T72 PolarHBondContact O-N 2.96Å; T72-S74 WeakPolarHBondContact CB-O 3.41Å; T72-S74 PolarHBondContact OG1-O 3.22Å; T72-S74 VanDerWaalsContact OG1-O 3.05Å; T72-L220 WeakPolarHBondContact O-CD1 3.46Å
73E94.2Very high94.5Very high98 Ų9825.7 Ų25.746%0.45815%0.15SC..SBendtrans-90.4-15.6176.4-65.1-171.9-146.300113.1L215 I221E73-L215 HydrophobicContact CG-CD2 4.44Å; E73-I221 WeakPolarHBondContact O-CB 3.27Å; E73-I221 WeakPolarHBondContact O-CG1 3.39Å; E73-I221 PolarHBondContact O-N 3.06Å
74S95.1Very high94.4Very high36 Ų3625.7 Ų25.725%0.25215%0.15SC..EExtended strand (participates in β ladder)trans-128.8156.8171.673.20000112.4T72 I221 E223T72-S74 WeakPolarHBondContact CB-O 3.41Å; T72-S74 PolarHBondContact OG1-O 3.22Å; T72-S74 VanDerWaalsContact OG1-O 3.05Å; S74-I221 CarbonylContact C-O 3.57Å; S74-I221 VanDerWaalsContact CA-O 3.24Å; S74-I221 WeakPolarHBondContact CA-O 3.38Å; S74-E223 VanDerWaalsContact CB-OE1 3.24Å; S74-E223 WeakPolarHBondContact CB-OE1 3.11Å; S74-E223 PolarHBondContact OG-OE1 3.23Å
75L96.1Very high94.3Very high0 Ų028.2 Ų28.20%016%0.162CC..EExtended strand (participates in β ladder)trans-111124.4171.9-175.868.8000108.2C59 Y62 I79 A80 L83 L220 I221 Y222 E223C59-L75 HydrophobicContact CB-CD1 4.29Å; C59-L75 HydrophobicContact CB-CD2 4.21Å; C59-L75 WeakPolarHBondContact SG-CD2 3.34Å; Y62-L75 HydrophobicContact CD1-CD1 3.85Å; Y62-L75 HydrophobicContact CE1-CD1 4.34Å; Y62-L75 HydrophobicContact CG-CD1 4.37Å; L75-I79 HydrophobicContact CD1-CB 4.14Å; L75-I79 HydrophobicContact CD1-CG2 4.02Å; L75-I79 HydrophobicContact CD2-CB 4.39Å; L75-I79 HydrophobicContact CD2-CG2 3.99Å; L75-I79 HydrophobicContact CG-CB 4.17Å; L75-I79 HydrophobicContact CG-CG2 4.21Å; L75-A80 HydrophobicContact CB-CB 4.12Å; L75-A80 HydrophobicContact CD2-CB 3.89Å; L75-A80 HydrophobicContact CG-CB 3.96Å; L75-A80 WeakPolarHBondContact O-CB 3.49Å; L75-L83 HydrophobicContact CD2-CD2 4.44Å; L75-L220 HydrophobicContact CB-CD2 4.17Å; L75-I221 PolarHBondContact N-O 3.5Å; L75-Y222 HydrophobicContact CD2-CD1 3.86Å; L75-Y222 HydrophobicContact CD2-CE1 3.84Å; L75-E223 WeakPolarHBondContact O-CB 3.41Å; L75-E223 WeakPolarHBondContact O-CG 3.43Å; L75-E223 PolarHBondContact O-N 3.33Å
76P96.6Very high94.2Very high16 Ų1626.9 Ų26.910%0.10416%0.156CC..  trans-58146.9-178.1-26.334.3000112.9I31 Y62 Q78 I79 A80 E223I31-P76 HydrophobicContact CG2-CB 4.31Å; I31-P76 HydrophobicContact CG2-CG 4.13Å; Y62-P76 HydrophobicContact CE1-CG 4.22Å; Y62-P76 HydrophobicContact CE2-CG 4.07Å; Y62-P76 VanDerWaalsContact CZ-CD 3.44Å; Y62-P76 WeakPolarHBondContact OH-CD 3.42Å; Y62-P76 VanDerWaalsContact OH-CG 3.27Å; Y62-P76 WeakPolarHBondContact OH-CG 3.49Å; P76-Q78 PolarHBondContact O-N 2.93Å; P76-I79 PolarHBondContact O-N 3.3Å; P76-A80 WeakPolarHBondContact O-CB 3.22Å; P76-A80 PolarHBondContact O-N 3.2Å; P76-E223 WeakPolarHBondContact CA-OE2 3.22Å
77V95.2Very high94.3Very high12 Ų1223.8 Ų23.87%0.07314%0.14CC..Hα-helixtrans-52.1-31.3-176.568.60000113.8L36 I79 K81 P82 E223L36-V77 HydrophobicContact CD2-CG2 4.39Å; V77-I79 PolarHBondContact O-N 3.19Å; V77-K81 HydrophobicContact CG2-CB 4.04Å; V77-K81 HydrophobicContact CG2-CD 4.39Å; V77-K81 WeakPolarHBondContact O-CB 3.3Å; V77-K81 PolarHBondContact O-N 3.15Å; V77-K81 VanDerWaalsContact O-N 3.13Å; V77-P82 WeakPolarHBondContact O-CD 3.25Å; V77-E223 WeakPolarHBondContact CA-O 3.44Å; V77-E223 HydrophobicContact CB-CB 4.23Å
78Q96.2Very high94.4Very high35 Ų3524.5 Ų24.516%0.16414%0.14CC..Hα-helixtrans-66.5-21.9-178.7-52.9100.2-5100113.5L34 L36 P76L34-Q78 HydrophobicContact CD2-CB 4.23Å; L34-Q78 HydrophobicContact CG-CB 4.5Å; L34-Q78 WeakPolarHBondContact O-CG 3.42Å; L36-Q78 HydrophobicContact CB-CG 4.3Å; P76-Q78 PolarHBondContact O-N 2.93Å
79I97.6Very high94.5Very high0 Ų026 Ų260%014%0.142CC..Hα-helixtrans-109.2-44.3173.5-57.1-59.6000110.5I31 L34 L55 I58 C59 L75 P76 V77 L83I31-I79 HydrophobicContact CD1-CD1 3.89Å; I31-I79 HydrophobicContact CD1-CG1 4Å; I31-I79 HydrophobicContact CG2-CG1 3.92Å; L34-I79 HydrophobicContact CD2-CD1 3.52Å; L34-I79 HydrophobicContact CD2-CG1 4.43Å; L55-I79 HydrophobicContact CD2-CD1 3.96Å; L55-I79 HydrophobicContact CD2-CG2 4.25Å; I58-I79 HydrophobicContact CG2-CD1 3.84Å; I58-I79 HydrophobicContact CG2-CG1 4.06Å; I58-I79 HydrophobicContact CG2-CG2 4.43Å; C59-I79 HydrophobicContact CB-CG2 4.21Å; L75-I79 HydrophobicContact CD1-CB 4.14Å; L75-I79 HydrophobicContact CD1-CG2 4.02Å; L75-I79 HydrophobicContact CD2-CB 4.39Å; L75-I79 HydrophobicContact CD2-CG2 3.99Å; L75-I79 HydrophobicContact CG-CB 4.17Å; L75-I79 HydrophobicContact CG-CG2 4.21Å; P76-I79 PolarHBondContact O-N 3.3Å; V77-I79 PolarHBondContact O-N 3.19Å; I79-L83 WeakPolarHBondContact O-CB 3.31Å; I79-L83 PolarHBondContact O-N 3.5Å
80A95.8Very high94.6Very high0 Ų024.5 Ų24.50%013%0.125CC..Hα-helixtrans-59.3-53-17500000113L75 P76 L83 L84 Y222 E223L75-A80 HydrophobicContact CB-CB 4.12Å; L75-A80 HydrophobicContact CD2-CB 3.89Å; L75-A80 HydrophobicContact CG-CB 3.96Å; L75-A80 WeakPolarHBondContact O-CB 3.49Å; P76-A80 WeakPolarHBondContact O-CB 3.22Å; P76-A80 PolarHBondContact O-N 3.2Å; A80-L83 PolarHBondContact O-N 3.49Å; A80-L84 WeakPolarHBondContact O-CB 3.46Å; A80-L84 VanDerWaalsContact O-CG 3.24Å; A80-L84 WeakPolarHBondContact O-CG 3.36Å; A80-L84 PolarHBondContact O-N 2.8Å; A80-Y222 HydrophobicContact CB-CD1 4.06Å; A80-Y222 HydrophobicContact CB-CG 4.4Å; A80-E223 VanDerWaalsContact CB-O 3.3Å; A80-E223 WeakPolarHBondContact CB-O 3.46Å
81K93.9Very high94.6Very high66 Ų6623.3 Ų23.329%0.28711%0.113SC..Hα-helixtrans-65-49.7-176.4175.5-179.3-176.5174.50112.4L36 V77 L83 L84 Q85L36-K81 HydrophobicContact CD1-CD 4.45Å; L36-K81 HydrophobicContact CD2-CD 4.48Å; V77-K81 HydrophobicContact CG2-CB 4.04Å; V77-K81 HydrophobicContact CG2-CD 4.39Å; V77-K81 WeakPolarHBondContact O-CB 3.3Å; V77-K81 PolarHBondContact O-N 3.15Å; V77-K81 VanDerWaalsContact O-N 3.13Å; K81-L83 VanDerWaalsContact C-N 3.33Å; K81-L83 PolarHBondContact O-N 3.31Å; K81-L84 PolarHBondContact O-N 3.47Å; K81-Q85 VanDerWaalsContact O-CG 3.31Å; K81-Q85 WeakPolarHBondContact O-CG 3.31Å; K81-Q85 PolarHBondContact O-N 2.72Å
82P95.8Very high94.6Very high0 Ų022.9 Ų22.90%011%0.111CC..Hα-helixtrans-61.2-39.8175.7-26.536.9000113.1W11 L36 L39 L55 V77 Q85 V86W11-P82 HydrophobicContact CH2-CB 3.72Å; W11-P82 HydrophobicContact CH2-CG 4.35Å; W11-P82 HydrophobicContact CZ2-CB 3.6Å; W11-P82 HydrophobicContact CZ2-CG 3.83Å; L36-P82 HydrophobicContact CD1-CG 4.11Å; L39-P82 HydrophobicContact CD2-CB 4.32Å; L55-P82 HydrophobicContact CD1-CB 3.78Å; L55-P82 HydrophobicContact CD2-CB 4.26Å; V77-P82 WeakPolarHBondContact O-CD 3.25Å; P82-Q85 PolarHBondContact O-N 2.9Å; P82-V86 WeakPolarHBondContact O-CG2 3.35Å; P82-V86 PolarHBondContact O-N 3.36Å
83L96.6Very high94.6Very high0 Ų022.1 Ų22.10%011%0.106CC..Hα-helixtrans-62.5-47179.4-18053.2000110.7L55 A56 C59 L75 I79 A80 K81 Q85 V86 S87 P94 Y222L55-L83 HydrophobicContact CB-CB 4.07Å; L55-L83 HydrophobicContact CB-CD1 3.9Å; L55-L83 HydrophobicContact CB-CG 4.41Å; L55-L83 HydrophobicContact CD1-CB 4.43Å; A56-L83 HydrophobicContact CB-CD1 4.31Å; C59-L83 HydrophobicContact CB-CD2 3.89Å; L75-L83 HydrophobicContact CD2-CD2 4.44Å; I79-L83 WeakPolarHBondContact O-CB 3.31Å; I79-L83 PolarHBondContact O-N 3.5Å; A80-L83 PolarHBondContact O-N 3.49Å; K81-L83 VanDerWaalsContact C-N 3.33Å; K81-L83 PolarHBondContact O-N 3.31Å; L83-Q85 PolarHBondContact O-N 3.11Å; L83-V86 PolarHBondContact O-N 3.31Å; L83-S87 WeakPolarHBondContact O-CB 3.45Å; L83-S87 PolarHBondContact O-N 3.11Å; L83-S87 PolarHBondContact O-OG 3.17Å; L83-P94 HydrophobicContact CD2-CB 4.45Å; L83-P94 WeakPolarHBondContact CD2-O 3.32Å; L83-P94 HydrophobicContact CG-CB 3.89Å; L83-Y222 HydrophobicContact CD2-CE1 4.13Å
84L94.2Very high94.6Very high1 Ų117.5 Ų17.51%0.0058%0.084CC..Hα-helixtrans-55.7-50.2174.5-77.4171000112A80 K81 S87 D88 P94 Y222 T224 Y252 D257A80-L84 WeakPolarHBondContact O-CB 3.46Å; A80-L84 VanDerWaalsContact O-CG 3.24Å; A80-L84 WeakPolarHBondContact O-CG 3.36Å; A80-L84 PolarHBondContact O-N 2.8Å; K81-L84 PolarHBondContact O-N 3.47Å; L84-S87 WeakPolarHBondContact O-CB 3.46Å; L84-S87 PolarHBondContact O-N 3.02Å; L84-D88 PolarHBondContact O-N 3.49Å; L84-P94 HydrophobicContact CD2-CB 4.07Å; L84-P94 HydrophobicContact CD2-CG 3.91Å; L84-Y222 HydrophobicContact CD1-CD1 4.26Å; L84-Y222 HydrophobicContact CD1-CG 4.32Å; L84-Y222 HydrophobicContact CD2-CD1 4.15Å; L84-Y222 HydrophobicContact CD2-CG 4.41Å; L84-Y222 HydrophobicContact CG-CD1 3.94Å; L84-Y222 HydrophobicContact CG-CG 4.39Å; L84-T224 HydrophobicContact CD1-CG2 3.92Å; L84-Y252 HydrophobicContact CB-CE1 4.26Å; L84-Y252 HydrophobicContact CB-CE2 4.21Å; L84-Y252 WeakPolarHBondContact CB-OH 3.48Å; L84-Y252 HydrophobicContact CD1-CD1 4.18Å; L84-Y252 HydrophobicContact CD1-CE1 3.74Å; L84-Y252 HydrophobicContact CD2-CE1 4.06Å; L84-Y252 HydrophobicContact CG-CE1 4.25Å; L84-D257 HydrophobicContact CD1-CB 4.43Å
85Q93.5Very high94.7Very high59 Ų5915.8 Ų15.828%0.2767%0.072SC..Hα-helixtrans-64.8-43.3-178.2-69.9175.6-39.800113L39 K81 P82 L83 S87 D88 R89L39-Q85 HydrophobicContact CD1-CB 3.4Å; L39-Q85 HydrophobicContact CD1-CG 4.47Å; L39-Q85 HydrophobicContact CG-CB 4.47Å; K81-Q85 VanDerWaalsContact O-CG 3.31Å; K81-Q85 WeakPolarHBondContact O-CG 3.31Å; K81-Q85 PolarHBondContact O-N 2.72Å; P82-Q85 PolarHBondContact O-N 2.9Å; L83-Q85 PolarHBondContact O-N 3.11Å; Q85-S87 VanDerWaalsContact C-N 3.31Å; Q85-D88 PolarHBondContact O-N 2.75Å; Q85-R89 WeakPolarHBondContact O-CG 3.35Å; Q85-R89 PolarHBondContact O-N 2.96Å; Q85-R89 VanDerWaalsContact O-N 3.16Å
86V94.9Very high94.8Very high0 Ų015.9 Ų15.90%07%0.073CC..Hα-helixtrans-65.5-39176176.70000110.6L39 L42 L48 A51 H52 L55 P82 L83 D88 R89 L90L39-V86 HydrophobicContact CD1-CG2 3.57Å; L39-V86 HydrophobicContact CD2-CG2 3.9Å; L39-V86 HydrophobicContact CG-CG2 4.42Å; L42-V86 HydrophobicContact CD2-CG2 4.26Å; L48-V86 HydrophobicContact CB-CG1 4.41Å; L48-V86 HydrophobicContact CD2-CG1 4.08Å; L48-V86 HydrophobicContact CD2-CG2 4.36Å; L48-V86 VanDerWaalsContact O-CG1 3.23Å; L48-V86 WeakPolarHBondContact O-CG1 3.4Å; A51-V86 HydrophobicContact CB-CG1 4.47Å; A51-V86 HydrophobicContact CB-CG2 4.18Å; H52-V86 HydrophobicContact CB-CG1 3.69Å; L55-V86 HydrophobicContact CD1-CG2 4.38Å; P82-V86 WeakPolarHBondContact O-CG2 3.35Å; P82-V86 PolarHBondContact O-N 3.36Å; L83-V86 PolarHBondContact O-N 3.31Å; V86-D88 PolarHBondContact O-N 2.62Å; V86-R89 PolarHBondContact O-N 2.93Å; V86-L90 HydrophobicContact CG1-CD1 3.91Å; V86-L90 HydrophobicContact CG1-CG 4.37Å; V86-L90 PolarHBondContact O-N 2.78Å
87S94.5Very high94.8Very high1 Ų115.1 Ų15.11%0.0077%0.068CC..Hα-helixtrans-60.5-45.1177.2-60.10000111.9H52 L83 L84 Q85 R89 L90 G91 I92 P94H52-S87 PolarHBondContact CD2-OG 3.08Å; H52-S87 VanDerWaalsContact CD2-OG 3.28Å; H52-S87 PolarHBondContact NE2-OG 3.37Å; H52-S87 VanDerWaalsContact NE2-OG 3.15Å; L83-S87 WeakPolarHBondContact O-CB 3.45Å; L83-S87 PolarHBondContact O-N 3.11Å; L83-S87 PolarHBondContact O-OG 3.17Å; L84-S87 WeakPolarHBondContact O-CB 3.46Å; L84-S87 PolarHBondContact O-N 3.02Å; Q85-S87 VanDerWaalsContact C-N 3.31Å; S87-R89 PolarHBondContact O-N 2.79Å; S87-L90 PolarHBondContact O-N 3.43Å; S87-G91 CarbonylContact O-C 3.47Å; S87-G91 WeakPolarHBondContact O-CA 3.3Å; S87-G91 PolarHBondContact O-N 3Å; S87-I92 WeakPolarHBondContact CB-O 3.27Å; S87-I92 PolarHBondContact O-N 3.28Å; S87-P94 WeakPolarHBondContact OG-CA 3.39Å; S87-P94 VanDerWaalsContact OG-CB 3.31Å; S87-P94 WeakPolarHBondContact OG-CB 3.24Å
88D91.7Very high94.9Very high31 Ų3115 Ų1517%0.1667%0.067CC..Hα-helixtrans-60.8-43.6176.1-71.7-31.7000111.7L84 Q85 V86 G91 Y252 R300L84-D88 PolarHBondContact O-N 3.49Å; Q85-D88 PolarHBondContact O-N 2.75Å; V86-D88 PolarHBondContact O-N 2.62Å; D88-G91 PolarHBondContact O-N 3.37Å; D88-Y252 PolarHBondContact OD2-OH 3.23Å; D88-R300 PolarHBondContact O-NH2 3.48Å
89R91.9Very high94.9Very high96 Ų9613.8 Ų13.836%0.3626%0.061SC..Hα-helixtrans-64.2-43.6178.9-71178.4-174-151.7-1.6112.3L42 D43 L48 Q85 V86 S87 G91L42-R89 PolarHBondContact O-NH1 2.67Å; D43-R89 IonicContact OD1-CZ 3.82Å; D43-R89 IonicContact OD1-NH1 2.8Å; D43-R89 PolarHBondContact OD1-NH1 2.83Å; L48-R89 HydrophobicContact CD1-CB 4.2Å; L48-R89 HydrophobicContact CD2-CB 4.19Å; Q85-R89 WeakPolarHBondContact O-CG 3.35Å; Q85-R89 PolarHBondContact O-N 2.96Å; Q85-R89 VanDerWaalsContact O-N 3.16Å; V86-R89 PolarHBondContact O-N 2.93Å; S87-R89 PolarHBondContact O-N 2.79Å; R89-G91 VanDerWaalsContact C-N 3.31Å
90L92.1Very high94.9Very high10 Ų1013.9 Ų13.95%0.0526%0.062CC..Hα-helixtrans-77.1-20.1177-71.7175.3000113.1L48 R49 H52 V86 S87 I92L48-L90 HydrophobicContact CB-CD1 4.37Å; L48-L90 HydrophobicContact CB-CD2 3.73Å; L48-L90 HydrophobicContact CB-CG 4.02Å; R49-L90 HydrophobicContact CG-CD1 4.38Å; R49-L90 HydrophobicContact CG-CD2 4.01Å; H52-L90 HydrophobicContact CB-CD1 3.66Å; V86-L90 HydrophobicContact CG1-CD1 3.91Å; V86-L90 HydrophobicContact CG1-CG 4.37Å; V86-L90 PolarHBondContact O-N 2.78Å; S87-L90 PolarHBondContact O-N 3.43Å; L90-I92 HydrophobicContact CB-CG2 3.94Å; L90-I92 HydrophobicContact CD1-CG2 4.29Å
91G91.9Very high95Very high0 Ų014 Ų140%06%0.062CC..THydrogen-bonded Turntrans68.538.1-169.700000113S87 D88 R89 F247 R303S87-G91 CarbonylContact O-C 3.47Å; S87-G91 WeakPolarHBondContact O-CA 3.3Å; S87-G91 PolarHBondContact O-N 3Å; D88-G91 PolarHBondContact O-N 3.37Å; R89-G91 VanDerWaalsContact C-N 3.31Å; G91-F247 WeakPolarHBondContact O-CE1 3.3Å; G91-F247 WeakPolarHBondContact O-CZ 3.34Å; G91-R303 PolarHBondContact O-NH2 3.26Å
92I93.3Very high95.2Very high1 Ų111 Ų111%0.0055%0.049CC..SBendtrans-119169.1175.3-164.2165.8000110.1H52 S87 L90 T97 E99 Y297 I299H52-I92 WeakPolarHBondContact NE2-CG2 3.42Å; S87-I92 WeakPolarHBondContact CB-O 3.27Å; S87-I92 PolarHBondContact O-N 3.28Å; L90-I92 HydrophobicContact CB-CG2 3.94Å; L90-I92 HydrophobicContact CD1-CG2 4.29Å; I92-T97 HydrophobicContact CD1-CG2 3.81Å; I92-T97 WeakPolarHBondContact CD1-OG1 3.2Å; I92-T97 HydrophobicContact CG1-CG2 3.95Å; I92-E99 HydrophobicContact CD1-CB 3.86Å; I92-E99 HydrophobicContact CD1-CG 4.18Å; I92-Y297 VanDerWaalsContact CD1-O 3.26Å; I92-Y297 WeakPolarHBondContact CD1-O 3.36Å; I92-Y297 WeakPolarHBondContact CG1-O 3.07Å; I92-I299 HydrophobicContact CD1-CG2 4.46Å
93Q94.8Very high95.1Very high3 Ų313.5 Ų13.51%0.0146%0.063CC..  trans-77.1145.1176.1-67.6-77.811.400111.1H52 I95 S244 P246 T296 Y297H52-Q93 PolarHBondContact CE1-O 3.23Å; H52-Q93 PolarHBondContact NE2-O 2.94Å; H52-Q93 VanDerWaalsContact NE2-O 3.15Å; Q93-I95 HydrophobicContact CB-CG2 3.96Å; Q93-I95 PolarHBondContact O-N 3.46Å; Q93-S244 PolarHBondContact NE2-O 2.96Å; Q93-P246 HydrophobicContact CG-CB 4.42Å; Q93-T296 WeakPolarHBondContact CG-O 3.44Å; Q93-T296 PolarHBondContact NE2-OG1 3Å; Q93-Y297 HydrophobicContact CB-CD1 3.58Å; Q93-Y297 HydrophobicContact CB-CE1 3.66Å; Q93-Y297 HydrophobicContact CB-CG 4.28Å; Q93-Y297 HydrophobicContact CG-CD1 3.6Å; Q93-Y297 HydrophobicContact CG-CD2 4.2Å; Q93-Y297 HydrophobicContact CG-CE1 3.57Å; Q93-Y297 HydrophobicContact CG-CE2 4.17Å; Q93-Y297 HydrophobicContact CG-CG 3.91Å
94P95.9Very high95Very high0 Ų014.5 Ų14.50%07%0.07CC..SBendtrans-77.256.6-176.734.5-39000113.3L83 L84 S87 Y222L83-P94 HydrophobicContact CD2-CB 4.45Å; L83-P94 WeakPolarHBondContact CD2-O 3.32Å; L83-P94 HydrophobicContact CG-CB 3.89Å; L84-P94 HydrophobicContact CD2-CB 4.07Å; L84-P94 HydrophobicContact CD2-CG 3.91Å; S87-P94 WeakPolarHBondContact OG-CA 3.39Å; S87-P94 VanDerWaalsContact OG-CB 3.31Å; S87-P94 WeakPolarHBondContact OG-CB 3.24Å; P94-Y222 HydrophobicContact CB-CE1 3.98Å; P94-Y222 HydrophobicContact CG-CE1 4.22Å; P94-Y222 WeakPolarHBondContact O-CE1 3.32Å; P94-Y222 PolarHBondContact O-OH 3.15Å
95I96.8Very high95.1Very high0 Ų014.5 Ų14.50%07%0.069CC..SBendtrans-148.5162.2-176-171.2166.3000109.7H52 Q93 T97 G209 W210 C261 Y297H52-I95 PolarHBondContact CE1-O 3.1Å; Q93-I95 HydrophobicContact CB-CG2 3.96Å; Q93-I95 PolarHBondContact O-N 3.46Å; I95-T97 HydrophobicContact CG2-CG2 4.1Å; I95-T97 WeakPolarHBondContact O-CG2 3.44Å; I95-T97 PolarHBondContact O-N 3.33Å; I95-T97 VanDerWaalsContact O-N 3.12Å; I95-G209 VanDerWaalsContact CD1-CA 3.41Å; I95-W210 HydrophobicContact CD1-CD2 4.16Å; I95-W210 HydrophobicContact CD1-CG 4.38Å; I95-W210 HydrophobicContact CD1-CZ2 4.07Å; I95-W210 HydrophobicContact CG1-CZ2 3.97Å; I95-C261 HydrophobicContact CB-CB 3.98Å; I95-C261 HydrophobicContact CD1-CB 3.5Å; I95-C261 VanDerWaalsContact CD1-CB 3.5Å; I95-C261 HydrophobicContact CG1-CB 4.31Å; I95-C261 HydrophobicContact CG2-CB 3.98Å; I95-Y297 HydrophobicContact CG2-CD1 3.91Å; I95-Y297 HydrophobicContact CG2-CE1 3.83Å
96L97.9Very high95.2Very high2 Ų213.1 Ų13.11%0.017%0.066CC..  trans-56.1115167.417958.2000111.1A56 F57 D100 L101 I206 L207 G263 A264A56-L96 HydrophobicContact CB-CB 4.43Å; F57-L96 HydrophobicContact CD1-CD1 3.39Å; F57-L96 HydrophobicContact CE1-CD1 3.32Å; F57-L96 HydrophobicContact CZ-CD1 4.43Å; L96-D100 HydrophobicContact CD1-CB 3.9Å; L96-L101 HydrophobicContact CD1-CB 4.29Å; L96-I206 HydrophobicContact CD2-CG2 4.47Å; L96-L207 HydrophobicContact CD2-CD2 3.77Å; L96-G263 CarbonylContact O-C 3.56Å; L96-A264 HydrophobicContact CG-CB 4.16Å; L96-A264 WeakPolarHBondContact O-CA 3.26Å; L96-A264 PolarHBondContact O-N 2.9Å
97T97.1Very high95.2Very high0 Ų014.6 Ų14.60%07%0.073CC..  trans-113.7171.6177.667.40000112.3I92 I95 E99 D100 L101 Y297I92-T97 HydrophobicContact CD1-CG2 3.81Å; I92-T97 WeakPolarHBondContact CD1-OG1 3.2Å; I92-T97 HydrophobicContact CG1-CG2 3.95Å; I95-T97 HydrophobicContact CG2-CG2 4.1Å; I95-T97 WeakPolarHBondContact O-CG2 3.44Å; I95-T97 PolarHBondContact O-N 3.33Å; I95-T97 VanDerWaalsContact O-N 3.12Å; T97-E99 PolarHBondContact O-N 2.65Å; T97-E99 WeakPolarHBondContact OG1-CB 3.18Å; T97-E99 PolarHBondContact OG1-N 3.02Å; T97-D100 PolarHBondContact N-OD2 3.43Å; T97-D100 PolarHBondContact O-N 3.46Å; T97-D100 PolarHBondContact OG1-N 2.97Å; T97-D100 PolarHBondContact OG1-OD2 2.85Å; T97-L101 WeakPolarHBondContact O-CB 3.28Å; T97-L101 PolarHBondContact O-N 2.87Å; T97-Y297 HydrophobicContact CG2-CD1 4.22Å
98N96.8Very high95.1Very high11 Ų1119.4 Ų19.46%0.05911%0.105CC..Hα-helixtrans-61.2-30.3170.9-171.371.6000112.6D100 V102 L103 Q268N98-D100 VanDerWaalsContact C-N 3.31Å; N98-D100 PolarHBondContact O-N 3.31Å; N98-V102 WeakPolarHBondContact O-CB 3.35Å; N98-V102 PolarHBondContact O-N 3.19Å; N98-L103 PolarHBondContact O-N 2.83Å; N98-Q268 HydrophobicContact CB-CB 3.76Å
99E95.8Very high94.9Very high9 Ų919.1 Ų19.14%0.04211%0.105CC..Iπ-helixtrans-60-43.8174.5179.562.1-142.400111.2R49 I92 T97 L103 S104 I299R49-E99 IonicContact CZ-OE1 3.23Å; R49-E99 IonicContact NE-OE1 3.95Å; R49-E99 PolarHBondContact NE-OE1 3.37Å; R49-E99 IonicContact NH2-OE1 2.78Å; R49-E99 PolarHBondContact NH2-OE1 3.33Å; I92-E99 HydrophobicContact CD1-CB 3.86Å; I92-E99 HydrophobicContact CD1-CG 4.18Å; T97-E99 PolarHBondContact O-N 2.65Å; T97-E99 WeakPolarHBondContact OG1-CB 3.18Å; T97-E99 PolarHBondContact OG1-N 3.02Å; E99-L103 PolarHBondContact O-N 3.13Å; E99-L103 WeakPolarHBondContact OE2-CD1 3.45Å; E99-S104 WeakPolarHBondContact O-CB 3.42Å; E99-S104 PolarHBondContact O-N 3.42Å; E99-S104 PolarHBondContact O-OG 3.1Å; E99-I299 HydrophobicContact CG-CG2 3.9Å
100D97.8Very high94.4Very high2 Ų221.8 Ų21.81%0.01113%0.125CC..Iπ-helixtrans-74.4-43.9178.8-56.4-54.5000111.9H52 K53 F57 L96 T97 N98 S104 N105H52-D100 IonicContact CE1-OD1 2.74Å; H52-D100 IonicContact CE1-OD2 2.62Å; H52-D100 PolarHBondContact CE1-OD2 3.43Å; H52-D100 IonicContact CG-OD1 3.93Å; H52-D100 IonicContact ND1-OD1 2.65Å; H52-D100 PolarHBondContact ND1-OD1 3.3Å; H52-D100 IonicContact ND1-OD2 2.78Å; H52-D100 PolarHBondContact ND1-OD2 3.02Å; K53-D100 WeakPolarHBondContact CA-OD1 3.42Å; K53-D100 HydrophobicContact CB-CB 4.1Å; K53-D100 WeakPolarHBondContact CD-O 3.35Å; K53-D100 HydrophobicContact CG-CB 4.07Å; K53-D100 WeakPolarHBondContact CG-O 3.38Å; K53-D100 PolarHBondContact N-OD1 2.79Å; F57-D100 HydrophobicContact CE1-CB 4.1Å; L96-D100 HydrophobicContact CD1-CB 3.9Å; T97-D100 PolarHBondContact N-OD2 3.43Å; T97-D100 PolarHBondContact O-N 3.46Å; T97-D100 PolarHBondContact OG1-N 2.97Å; T97-D100 PolarHBondContact OG1-OD2 2.85Å; N98-D100 VanDerWaalsContact C-N 3.31Å; N98-D100 PolarHBondContact O-N 3.31Å; D100-S104 WeakPolarHBondContact CA-OG 3.34Å; D100-S104 PolarHBondContact O-OG 3.19Å; D100-N105 WeakPolarHBondContact O-CB 3.36Å
101L98.2Very high93.8Very high2 Ų225.4 Ų25.41%0.0114%0.144CC..Iπ-helixtrans-74.5-36.9-171.8-174.164.2000112.5F57 L96 T97 N105 P127 W133 F136 I137 L207 A264F57-L101 HydrophobicContact CE1-CD1 4.39Å; F57-L101 HydrophobicContact CZ-CD1 3.98Å; L96-L101 HydrophobicContact CD1-CB 4.29Å; T97-L101 WeakPolarHBondContact O-CB 3.28Å; T97-L101 PolarHBondContact O-N 2.87Å; L101-N105 VanDerWaalsContact O-CB 3.31Å; L101-N105 WeakPolarHBondContact O-CB 3.27Å; L101-N105 PolarHBondContact O-ND2 3.42Å; L101-P127 HydrophobicContact CD1-CG 4.04Å; L101-W133 HydrophobicContact CD1-CE3 4.26Å; L101-W133 HydrophobicContact CD1-CZ3 3.91Å; L101-W133 HydrophobicContact CD2-CZ3 4.37Å; L101-F136 HydrophobicContact CD2-CD1 4.26Å; L101-F136 HydrophobicContact CD2-CE1 3.72Å; L101-I137 HydrophobicContact CD1-CD1 4Å; L101-I137 HydrophobicContact CD1-CG1 3.9Å; L101-I137 HydrophobicContact CG-CG1 4.15Å; L101-I137 VanDerWaalsContact O-CG2 3.31Å; L101-I137 WeakPolarHBondContact O-CG2 3.33Å; L101-L207 HydrophobicContact CD1-CD2 4.49Å; L101-L207 HydrophobicContact CD2-CD1 4.39Å; L101-L207 HydrophobicContact CD2-CD2 3.61Å; L101-A264 HydrophobicContact CD2-CB 4.16Å
102V97.3Very high92.6Very high2 Ų228.9 Ų28.91%0.01217%0.167CC..Iπ-helixtrans-118.9-64.7-170.1-176.90000111.1N98 S104 N105 C106 E144N98-V102 WeakPolarHBondContact O-CB 3.35Å; N98-V102 PolarHBondContact O-N 3.19Å; V102-S104 VanDerWaalsContact C-N 3.32Å; V102-S104 PolarHBondContact O-N 3.42Å; V102-N105 PolarHBondContact O-N 3.45Å; V102-N105 VanDerWaalsContact O-N 3.07Å; V102-C106 PolarHBondContact O-N 3.01Å; V102-C106 PolarHBondContact O-SG 3.24Å; V102-E144 HydrophobicContact CG1-CG 4.25Å
103L94.5Very high91.5Very high54 Ų5434.6 Ų34.628%0.28320%0.202SC..Iπ-helixtrans-65.7-30.8-165.6-63.8176.9000114.1N98 E99 E144N98-L103 PolarHBondContact O-N 2.83Å; E99-L103 PolarHBondContact O-N 3.13Å; E99-L103 WeakPolarHBondContact OE2-CD1 3.45Å; L103-E144 HydrophobicContact CD2-CB 4.12Å; L103-E144 HydrophobicContact CD2-CG 3.71Å
104S93.8Very high90.1Very high21 Ų2143.8 Ų43.815%0.14725%0.245CC..THydrogen-bonded Turntrans-104.910.3177.666.50000113.7K53 E99 D100 V102K53-S104 PolarHBondContact NZ-O 3.45Å; E99-S104 WeakPolarHBondContact O-CB 3.42Å; E99-S104 PolarHBondContact O-N 3.42Å; E99-S104 PolarHBondContact O-OG 3.1Å; D100-S104 WeakPolarHBondContact CA-OG 3.34Å; D100-S104 PolarHBondContact O-OG 3.19Å; V102-S104 VanDerWaalsContact C-N 3.32Å; V102-S104 PolarHBondContact O-N 3.42Å
105N96.9Very high88.8Confident0 Ų049.3 Ų49.30%027%0.27CS..SBendtrans-129.412.1-168.7-157.541.6000115.1K53 D100 L101 V102 S123 I124 H125K53-N105 HydrophobicContact CD-CB 3.95Å; K53-N105 PolarHBondContact NZ-OD1 3.03Å; D100-N105 WeakPolarHBondContact O-CB 3.36Å; L101-N105 VanDerWaalsContact O-CB 3.31Å; L101-N105 WeakPolarHBondContact O-CB 3.27Å; L101-N105 PolarHBondContact O-ND2 3.42Å; V102-N105 PolarHBondContact O-N 3.45Å; V102-N105 VanDerWaalsContact O-N 3.07Å; N105-S123 CarbonylContact O-C 3.59Å; N105-S123 WeakPolarHBondContact O-CA 3.4Å; N105-I124 PolarHBondContact O-N 2.93Å; N105-I124 WeakPolarHBondContact OD1-CB 3.42Å; N105-H125 PolarHBondContact ND2-O 2.89Å; N105-H125 PolarHBondContact OD1-N 3.28Å; N105-H125 VanDerWaalsContact OD1-N 3.11Å
106C95.3Very high87.2Confident30 Ų3051.7 Ų51.720%0.20328%0.281CS..EExtended strand (participates in β ladder)trans-114.9146.5172.1-60.70000111V102 L121 Q122V102-C106 PolarHBondContact O-N 3.01Å; V102-C106 PolarHBondContact O-SG 3.24Å; C106-L121 HydrophobicContact CB-CB 4.41Å; C106-L121 HydrophobicContact CB-CD1 4.03Å; C106-Q122 WeakPolarHBondContact CA-O 3.48Å
107I94Very high85.8Confident31 Ų3156.9 Ų56.916%0.15931%0.313CS..EExtended strand (participates in β ladder)trans-133.3160.8167.456.1178.7000109.2K2 S109 L121 Q122 I124K2-I107 VanDerWaalsContact CE-CD1 3.4Å; K2-I107 VanDerWaalsContact NZ-CD1 3.3Å; I107-S109 PolarHBondContact O-N 2.55Å; I107-L121 CarbonylContact O-C 3.6Å; I107-L121 VanDerWaalsContact O-CA 3.31Å; I107-L121 WeakPolarHBondContact O-CA 3.29Å; I107-Q122 HydrophobicContact CG1-CB 4.12Å; I107-Q122 PolarHBondContact N-O 3.41Å; I107-Q122 PolarHBondContact O-N 3.26Å; I107-I124 HydrophobicContact CG1-CG1 4.37Å; I107-I124 HydrophobicContact CG2-CD1 3.74Å; I107-I124 HydrophobicContact CG2-CG1 3.8Å
108P92.9Very high84.8Confident102 Ų10260 Ų6066%0.66233%0.33SS*.EExtended strand (participates in β ladder)trans-55.3135.8168.8-23.934.7000110.9
109S88.4Confident84.4Confident26 Ų2659.8 Ų59.818%0.18233%0.329CS..  trans-65.4143.3173.8-176.70000110.4I107 L111 F120I107-S109 PolarHBondContact O-N 2.55Å; S109-L111 VanDerWaalsContact C-N 3.33Å; S109-L111 PolarHBondContact OG-N 2.79Å; S109-F120 WeakPolarHBondContact CB-O 3.32Å; S109-F120 PolarHBondContact N-O 2.89Å
110I81.1Confident84.2Confident151 Ų15163 Ų6377%0.77434%0.343SS*.  trans-86-9.5174.461.1170.5000112.7
111L78.4Confident84Confident87 Ų8763.8 Ų63.846%0.45535%0.347SS..SBendtrans-69.6146.8178.5-66.6174.9000110.2S109 H116S109-L111 VanDerWaalsContact C-N 3.33Å; S109-L111 PolarHBondContact OG-N 2.79Å; L111-H116 PolarHBondContact O-CE1 3.28Å
112P68.5Low83.8Confident73 Ų7367 Ų6747%0.47436%0.362SS..  trans-53.3146.4172.5-23.332.7000111.8E114 E115P112-E114 PolarHBondContact O-N 3.27Å; P112-E114 VanDerWaalsContact O-N 3.15Å; P112-E115 HydrophobicContact CB-CB 4.47Å; P112-E115 HydrophobicContact CB-CG 4.32Å; P112-E115 HydrophobicContact CG-CG 4.44Å; P112-E115 PolarHBondContact O-N 3.34Å
113T69.1Low83.7Confident120 Ų12067.3 Ų67.374%0.73637%0.365SS*.G310 helixtrans-57.7-34.2-174.4-49.60000113.5E115 H116T113-E115 VanDerWaalsContact C-N 3.3Å; T113-E115 PolarHBondContact O-N 3.12Å; T113-H116 VanDerWaalsContact CA-CD2 3.5Å; T113-H116 WeakPolarHBondContact CA-CD2 3.31Å; T113-H116 WeakPolarHBondContact CA-NE2 3.49Å; T113-H116 PolarHBondContact O-CD2 3.44Å
114E66.1Low83.7Confident197 Ų19766.2 Ų66.292%0.92136%0.358SS*.G310 helixtrans-73.3-21.5179.2-62.8174.3-17500112.9P112P112-E114 PolarHBondContact O-N 3.27Å; P112-E114 VanDerWaalsContact O-N 3.15Å
115E67.2Low83.9Confident115 Ų11566 Ų6654%0.53736%0.355SS..G310 helixtrans-98.87.3-176.7-65.6-173.3172.500113.4P112 T113 T117P112-E115 HydrophobicContact CB-CB 4.47Å; P112-E115 HydrophobicContact CB-CG 4.32Å; P112-E115 HydrophobicContact CG-CG 4.44Å; P112-E115 PolarHBondContact O-N 3.34Å; T113-E115 VanDerWaalsContact C-N 3.3Å; T113-E115 PolarHBondContact O-N 3.12Å; E115-T117 VanDerWaalsContact C-N 3.26Å; E115-T117 PolarHBondContact O-N 3.12Å
116H63.7Low83.9Confident50 Ų5067.6 Ų67.623%0.23136%0.364CS..  trans-65.783.6176.7-66.4-36.3000111.6L111 T113L111-H116 PolarHBondContact O-CE1 3.28Å; T113-H116 VanDerWaalsContact CA-CD2 3.5Å; T113-H116 WeakPolarHBondContact CA-CD2 3.31Å; T113-H116 WeakPolarHBondContact CA-NE2 3.49Å; T113-H116 PolarHBondContact O-CD2 3.44Å
117T68.5Low84.1Confident111 Ų11166.2 Ų66.268%0.68135%0.354SS*.SBendtrans-70-35.4177.749.80000111.9E115 K193E115-T117 VanDerWaalsContact C-N 3.26Å; E115-T117 PolarHBondContact O-N 3.12Å; T117-K193 WeakPolarHBondContact O-CE 3.49Å
118L77.2Confident84.2Confident66 Ų6664.9 Ų64.935%0.34635%0.348SS..SBendtrans-106.5-62.8-178.3-70.7169.8000112.8E134 K193L118-E134 HydrophobicContact CD1-CG 4.25Å; L118-K193 HydrophobicContact CD2-CB 4.14Å; L118-K193 HydrophobicContact CD2-CG 4.39Å; L118-K193 WeakPolarHBondContact O-CD 3.1Å; L118-K193 WeakPolarHBondContact O-CE 3.17Å; L118-K193 PolarHBondContact O-NZ 2.79Å
119S86.8Confident84.4Confident7 Ų763 Ų635%0.04933%0.33CS..  trans-154.3157.1-172.9177.60000110.6L121 T138 E142S119-L121 PolarHBondContact O-N 2.94Å; S119-L121 PolarHBondContact OG-N 3.05Å; S119-T138 WeakPolarHBondContact CB-OG1 3.47Å; S119-E142 WeakPolarHBondContact CA-OE1 3.27Å; S119-E142 WeakPolarHBondContact CB-OE1 3.44Å; S119-E142 VanDerWaalsContact OG-CD 3.24Å; S119-E142 WeakPolarHBondContact OG-CG 3.29Å; S119-E142 PolarHBondContact OG-OE1 2.89Å
120F91.8Very high84.9Confident77 Ų7763.1 Ų63.134%0.33833%0.328SS..SBendtrans-78.5-1.4165.960.3-99.6000112.7S109 E142 L145 F146S109-F120 WeakPolarHBondContact CB-O 3.32Å; S109-F120 PolarHBondContact N-O 2.89Å; F120-E142 HydrophobicContact CD1-CG 4.18Å; F120-E142 WeakPolarHBondContact CD1-OE1 3.1Å; F120-E142 HydrophobicContact CE1-CB 4.24Å; F120-E142 VanDerWaalsContact CE1-CD 3.45Å; F120-E142 HydrophobicContact CE1-CG 3.59Å; F120-E142 WeakPolarHBondContact CE1-OE1 3.5Å; F120-E142 HydrophobicContact CE2-CG 4.14Å; F120-E142 HydrophobicContact CZ-CB 4.04Å; F120-E142 HydrophobicContact CZ-CG 3.58Å; F120-E142 PolarHBondContact N-OE1 3.47Å; F120-E142 VanDerWaalsContact N-OE1 3.16Å; F120-L145 HydrophobicContact CE2-CD1 3.74Å; F120-L145 HydrophobicContact CZ-CD1 4.38Å; F120-F146 AromaticContact CE1-CE2 3.93Å; F120-F146 HydrophobicContact CE1-CE2 3.93Å; F120-F146 AromaticContact CE1-CZ 3.94Å; F120-F146 HydrophobicContact CE1-CZ 3.94Å; F120-F146 HydrophobicContact CZ-CE2 4.13Å; F120-F146 HydrophobicContact CZ-CZ 4.25Å
121L94.6Very high85.5Confident17 Ų1766.7 Ų66.79%0.08933%0.331CS..EExtended strand (participates in β ladder)trans-105.7159.5169.4-59.5176.3000110.9C106 I107 S119 T138 E142 L145C106-L121 HydrophobicContact CB-CB 4.41Å; C106-L121 HydrophobicContact CB-CD1 4.03Å; I107-L121 CarbonylContact O-C 3.6Å; I107-L121 VanDerWaalsContact O-CA 3.31Å; I107-L121 WeakPolarHBondContact O-CA 3.29Å; S119-L121 PolarHBondContact O-N 2.94Å; S119-L121 PolarHBondContact OG-N 3.05Å; L121-T138 HydrophobicContact CB-CG2 4.1Å; L121-E142 HydrophobicContact CD1-CG 4.11Å; L121-E142 HydrophobicContact CG-CG 4.39Å; L121-L145 HydrophobicContact CD1-CD1 3.9Å; L121-L145 HydrophobicContact CD2-CD1 3.89Å; L121-L145 HydrophobicContact CG-CD1 4.28Å
122Q93.5Very high86.4Confident71 Ų7162.9 Ų62.933%0.33231%0.312SS..EExtended strand (participates in β ladder)trans-125.9140169.7-179.5-175.39.300109.1C106 I107 E134C106-Q122 WeakPolarHBondContact CA-O 3.48Å; I107-Q122 HydrophobicContact CG1-CB 4.12Å; I107-Q122 PolarHBondContact N-O 3.41Å; I107-Q122 PolarHBondContact O-N 3.26Å; Q122-E134 WeakPolarHBondContact CA-OE1 3.49Å
123S95Very high87.8Confident8 Ų859.4 Ų59.46%0.05629%0.289CS..EExtended strand (participates in β ladder)trans-73.3144.7172.9100.40000111.3N105 N126 E134N105-S123 CarbonylContact O-C 3.59Å; N105-S123 WeakPolarHBondContact O-CA 3.4Å; S123-N126 PolarHBondContact OG-OD1 3.29Å; S123-E134 WeakPolarHBondContact CB-OE2 3.43Å; S123-E134 PolarHBondContact N-OE1 2.87Å; S123-E134 PolarHBondContact OG-OE2 3.14Å
124I95.9Very high89Confident30 Ų3055.7 Ų55.715%0.15426%0.264CS..SBendtrans-82.8-49.2178.4-54.3174.2000110.4K2 N105 I107K2-I124 HydrophobicContact CB-CG2 4.39Å; K2-I124 HydrophobicContact CG-CG2 4.15Å; N105-I124 PolarHBondContact O-N 2.93Å; N105-I124 WeakPolarHBondContact OD1-CB 3.42Å; I107-I124 HydrophobicContact CG1-CG1 4.37Å; I107-I124 HydrophobicContact CG2-CD1 3.74Å; I107-I124 HydrophobicContact CG2-CG1 3.8Å
125H97.1Very high90.5Very high16 Ų1646.5 Ų46.57%0.07422%0.221CC..  trans-135.6145.9176.9-53.3122.4000109.9K2 I15 D16 F57 N105K2-H125 PolarHBondContact O-CE1 3.08Å; I15-H125 HydrophobicContact CD1-CB 4.26Å; I15-H125 HydrophobicContact CG1-CB 3.91Å; D16-H125 IonicContact OD1-CD2 2.97Å; D16-H125 IonicContact OD1-NE2 3.59Å; F57-H125 HydrophobicContact CE2-CB 4.28Å; N105-H125 PolarHBondContact ND2-O 2.89Å; N105-H125 PolarHBondContact OD1-N 3.28Å; N105-H125 VanDerWaalsContact OD1-N 3.11Å
126N97.6Very high91.9Very high35 Ų3542.7 Ų42.719%0.18720%0.203CC..  trans-108.6138.3172.9-69.6-34.2000109.6S123 T128 W133 I137S123-N126 PolarHBondContact OG-OD1 3.29Å; N126-T128 VanDerWaalsContact C-N 3.27Å; N126-T128 PolarHBondContact O-N 3.06Å; N126-W133 HydrophobicContact CB-CB 3.88Å; N126-W133 HydrophobicContact CB-CG 4.2Å; N126-W133 WeakPolarHBondContact OD1-CB 3.39Å; N126-I137 WeakPolarHBondContact OD1-CD1 3.42Å
127P98Very high93.5Very high0 Ų040.3 Ų40.30%019%0.192CC..SBendtrans-59-37.5178.6-26.233.6000113.3L18 F57 V61 L101 W133 I206L18-P127 WeakPolarHBondContact CG-O 3.43Å; F57-P127 HydrophobicContact CD2-CB 4.29Å; F57-P127 HydrophobicContact CD2-CG 3.9Å; F57-P127 HydrophobicContact CE2-CG 3.66Å; F57-P127 HydrophobicContact CZ-CG 4.09Å; V61-P127 HydrophobicContact CG2-CB 4.3Å; V61-P127 WeakPolarHBondContact CG2-O 3.37Å; L101-P127 HydrophobicContact CD1-CG 4.04Å; P127-W133 HydrophobicContact CB-CH2 4.34Å; P127-W133 HydrophobicContact CB-CZ2 3.77Å; P127-W133 HydrophobicContact CG-CD2 4Å; P127-W133 HydrophobicContact CG-CE3 4.1Å; P127-W133 HydrophobicContact CG-CH2 3.91Å; P127-W133 HydrophobicContact CG-CZ2 3.76Å; P127-W133 HydrophobicContact CG-CZ3 4.07Å; P127-I206 HydrophobicContact CB-CG2 3.89Å
128T97.9Very high94.9Very high4 Ų435 Ų353%0.02516%0.159CC..SBendtrans-140-175.5179.9710000110.8S22 V61 N126 H130 W133 I206S22-T128 VanDerWaalsContact OG-CB 3.29Å; S22-T128 WeakPolarHBondContact OG-CB 3.48Å; S22-T128 VanDerWaalsContact OG-CG2 3.22Å; S22-T128 WeakPolarHBondContact OG-CG2 3.01Å; V61-T128 HydrophobicContact CG2-CG2 4.11Å; N126-T128 VanDerWaalsContact C-N 3.27Å; N126-T128 PolarHBondContact O-N 3.06Å; T128-H130 VanDerWaalsContact C-N 3.27Å; T128-H130 PolarHBondContact O-N 3.12Å; T128-H130 PolarHBondContact OG1-CD2 3.15Å; T128-H130 VanDerWaalsContact OG1-CD2 3.23Å; T128-W133 PolarHBondContact OG1-NE1 3.33Å; T128-I206 HydrophobicContact CG2-CD1 4.15Å; T128-I206 HydrophobicContact CG2-CG1 3.95Å
129H96.8Very high95.8Very high63 Ų6331.9 Ų31.929%0.29214%0.143SC..SBendtrans-76.2-5.6-178.264.2-79.9000116.1P19 R23P19-H129 HydrophobicContact CB-CB 4.38Å; P19-H129 WeakPolarHBondContact O-CB 3.34Å; R23-H129 WeakPolarHBondContact CA-ND1 3.48Å; R23-H129 HydrophobicContact CB-CB 4.13Å; R23-H129 WeakPolarHBondContact CB-ND1 3.44Å; R23-H129 VanDerWaalsContact CZ-CB 3.4Å; R23-H129 VanDerWaalsContact NH2-CB 3.28Å
130H97.3Very high96.3Very high28 Ų2832.6 Ų32.613%0.1315%0.148CC..  trans-66.4132.4-177-71.4-68.7000111.5T128 S132 W133 E198 D202 L203T128-H130 VanDerWaalsContact C-N 3.27Å; T128-H130 PolarHBondContact O-N 3.12Å; T128-H130 PolarHBondContact OG1-CD2 3.15Å; T128-H130 VanDerWaalsContact OG1-CD2 3.23Å; H130-S132 VanDerWaalsContact C-N 3.28Å; H130-S132 PolarHBondContact O-N 3.38Å; H130-W133 VanDerWaalsContact O-CD1 3.29Å; H130-W133 PolarHBondContact O-N 3.07Å; H130-E198 WeakPolarHBondContact CA-OE1 3.28Å; H130-E198 HydrophobicContact CB-CG 4.08Å; H130-E198 VanDerWaalsContact CB-OE1 3.31Å; H130-E198 WeakPolarHBondContact CB-OE1 3.08Å; H130-E198 IonicContact CG-OE1 3.57Å; H130-E198 IonicContact ND1-OE1 3.13Å; H130-E198 PolarHBondContact ND1-OE1 3.28Å; H130-D202 IonicContact CE1-OD1 2.95Å; H130-D202 IonicContact CE1-OD2 3.4Å; H130-D202 IonicContact ND1-OD2 3.67Å; H130-D202 WeakPolarHBondContact NE2-CB 3.5Å; H130-D202 IonicContact NE2-OD1 2.95Å; H130-L203 HydrophobicContact CB-CD1 3.74Å
131R94.8Very high96.5Very high226 Ų22629.2 Ų29.285%0.85314%0.135SC*.THydrogen-bonded Turntrans-69.8-29.5-174.3-68.8-176.6178.2-176.3-0.4112W133 E134 E198R131-W133 PolarHBondContact O-N 2.75Å; R131-W133 VanDerWaalsContact O-N 3.1Å; R131-E134 PolarHBondContact O-N 2.93Å; R131-E198 PolarHBondContact N-OE1 3.13Å
132S96.7Very high96.6Very high6 Ų628.7 Ų28.74%0.04213%0.132CC..Hα-helixtrans-59-18.2177.4-74.40000114.8H130 E134 A135 F136 L194 N195 E198H130-S132 VanDerWaalsContact C-N 3.28Å; H130-S132 PolarHBondContact O-N 3.38Å; S132-E134 VanDerWaalsContact C-N 3.3Å; S132-E134 PolarHBondContact O-N 2.89Å; S132-A135 PolarHBondContact O-N 3.11Å; S132-F136 WeakPolarHBondContact O-CB 3.47Å; S132-F136 PolarHBondContact O-N 2.85Å; S132-L194 WeakPolarHBondContact O-CD1 3.24Å; S132-N195 WeakPolarHBondContact OG-CB 3.24Å; S132-E198 WeakPolarHBondContact CB-OE2 3.44Å; S132-E198 PolarHBondContact N-OE2 2.95Å; S132-E198 PolarHBondContact OG-OE2 3.05Å
133W97.4Very high96.7Very high0 Ų025.9 Ų25.90%012%0.12CC..Hα-helixtrans-59.1-41.6175-77.8122.8000112.6L101 N126 P127 T128 H130 R131 A135 F136 I137 L203 I206 L207L101-W133 HydrophobicContact CD1-CE3 4.26Å; L101-W133 HydrophobicContact CD1-CZ3 3.91Å; L101-W133 HydrophobicContact CD2-CZ3 4.37Å; N126-W133 HydrophobicContact CB-CB 3.88Å; N126-W133 HydrophobicContact CB-CG 4.2Å; N126-W133 WeakPolarHBondContact OD1-CB 3.39Å; P127-W133 HydrophobicContact CB-CH2 4.34Å; P127-W133 HydrophobicContact CB-CZ2 3.77Å; P127-W133 HydrophobicContact CG-CD2 4Å; P127-W133 HydrophobicContact CG-CE3 4.1Å; P127-W133 HydrophobicContact CG-CH2 3.91Å; P127-W133 HydrophobicContact CG-CZ2 3.76Å; P127-W133 HydrophobicContact CG-CZ3 4.07Å; T128-W133 PolarHBondContact OG1-NE1 3.33Å; H130-W133 VanDerWaalsContact O-CD1 3.29Å; H130-W133 PolarHBondContact O-N 3.07Å; R131-W133 PolarHBondContact O-N 2.75Å; R131-W133 VanDerWaalsContact O-N 3.1Å; W133-A135 PolarHBondContact O-N 3.12Å; W133-F136 HydrophobicContact CE3-CD1 4.22Å; W133-F136 HydrophobicContact CZ3-CD1 4.03Å; W133-F136 HydrophobicContact CZ3-CE1 4.5Å; W133-F136 PolarHBondContact O-N 3.09Å; W133-I137 HydrophobicContact CB-CD1 4.2Å; W133-I137 HydrophobicContact CE3-CD1 4.2Å; W133-I137 HydrophobicContact CE3-CG1 4.42Å; W133-I137 VanDerWaalsContact O-CB 3.32Å; W133-I137 WeakPolarHBondContact O-CB 3.37Å; W133-I137 WeakPolarHBondContact O-CD1 3.19Å; W133-I137 VanDerWaalsContact O-CG1 3.29Å; W133-I137 WeakPolarHBondContact O-CG1 3.33Å; W133-I137 PolarHBondContact O-N 3.16Å; W133-L203 HydrophobicContact CD2-CD2 3.86Å; W133-L203 HydrophobicContact CD2-CG 3.74Å; W133-L203 HydrophobicContact CE3-CD2 3.77Å; W133-L203 HydrophobicContact CE3-CG 3.96Å; W133-L203 HydrophobicContact CG-CD2 4.4Å; W133-L203 HydrophobicContact CG-CG 4.39Å; W133-L203 HydrophobicContact CH2-CB 3.87Å; W133-L203 HydrophobicContact CH2-CD2 4.39Å; W133-L203 HydrophobicContact CH2-CG 3.84Å; W133-L203 HydrophobicContact CZ2-CB 3.97Å; W133-L203 HydrophobicContact CZ2-CG 3.65Å; W133-L203 HydrophobicContact CZ3-CB 4.27Å; W133-L203 HydrophobicContact CZ3-CD2 4.03Å; W133-L203 HydrophobicContact CZ3-CG 3.99Å; W133-I206 HydrophobicContact CH2-CB 4.33Å; W133-I206 HydrophobicContact CH2-CG2 4.39Å; W133-I206 HydrophobicContact CZ2-CB 4.01Å; W133-I206 HydrophobicContact CZ2-CG1 4.4Å; W133-I206 HydrophobicContact CZ2-CG2 4.09Å; W133-L207 HydrophobicContact CH2-CD1 4.12Å; W133-L207 HydrophobicContact CH2-CD2 3.6Å; W133-L207 HydrophobicContact CH2-CG 3.81Å; W133-L207 HydrophobicContact CZ3-CD1 4.16Å; W133-L207 HydrophobicContact CZ3-CD2 3.88Å; W133-L207 HydrophobicContact CZ3-CG 4.25Å
134E95.9Very high96.8Very high43 Ų4327.1 Ų27.120%0.20113%0.125CC..Hα-helixtrans-57.5-53.4-179.2-171.564.5-158.100110.3L118 Q122 S123 R131 S132 T138L118-E134 HydrophobicContact CD1-CG 4.25Å; Q122-E134 WeakPolarHBondContact CA-OE1 3.49Å; S123-E134 WeakPolarHBondContact CB-OE2 3.43Å; S123-E134 PolarHBondContact N-OE1 2.87Å; S123-E134 PolarHBondContact OG-OE2 3.14Å; R131-E134 PolarHBondContact O-N 2.93Å; S132-E134 VanDerWaalsContact C-N 3.3Å; S132-E134 PolarHBondContact O-N 2.89Å; E134-T138 VanDerWaalsContact O-CB 3.31Å; E134-T138 WeakPolarHBondContact O-CB 3.5Å; E134-T138 VanDerWaalsContact O-CG2 3.28Å; E134-T138 WeakPolarHBondContact O-CG2 3.42Å; E134-T138 PolarHBondContact O-N 2.85Å; E134-T138 PolarHBondContact O-OG1 3.24Å
135A96.1Very high96.8Very high3 Ų330.3 Ų30.33%0.02514%0.142CC..Hα-helixtrans-63.8-44.9178.900000111.8S132 W133 I137 L139 K193 L194S132-A135 PolarHBondContact O-N 3.11Å; W133-A135 PolarHBondContact O-N 3.12Å; A135-I137 PolarHBondContact O-N 3.13Å; A135-L139 HydrophobicContact CB-CD1 4.27Å; A135-L139 WeakPolarHBondContact O-CB 3.35Å; A135-L139 WeakPolarHBondContact O-CD1 3.09Å; A135-L139 WeakPolarHBondContact O-CG 3.08Å; A135-L139 PolarHBondContact O-N 2.65Å; A135-K193 WeakPolarHBondContact CB-O 3.45Å; A135-L194 HydrophobicContact CB-CB 4.39Å; A135-L194 HydrophobicContact CB-CD1 4.41Å
136F97.7Very high96.8Very high36 Ų3632 Ų3216%0.15815%0.149CC..Hα-helixtrans-63-44.2-177.8-176.3-117.5000112.3L101 S132 W133 S140 F190 L194 F199 L203 L207L101-F136 HydrophobicContact CD2-CD1 4.26Å; L101-F136 HydrophobicContact CD2-CE1 3.72Å; S132-F136 WeakPolarHBondContact O-CB 3.47Å; S132-F136 PolarHBondContact O-N 2.85Å; W133-F136 HydrophobicContact CE3-CD1 4.22Å; W133-F136 HydrophobicContact CZ3-CD1 4.03Å; W133-F136 HydrophobicContact CZ3-CE1 4.5Å; W133-F136 PolarHBondContact O-N 3.09Å; F136-S140 VanDerWaalsContact O-CB 3.27Å; F136-S140 WeakPolarHBondContact O-CB 3.41Å; F136-S140 PolarHBondContact O-N 3.29Å; F136-S140 PolarHBondContact O-OG 3.03Å; F136-F190 HydrophobicContact CD2-CE1 4.04Å; F136-L194 HydrophobicContact CB-CD1 4.05Å; F136-L194 HydrophobicContact CB-CD2 4.42Å; F136-L194 HydrophobicContact CD2-CD2 3.98Å; F136-F199 HydrophobicContact CD1-CE2 4.46Å; F136-F199 HydrophobicContact CD2-CD2 4.1Å; F136-F199 AromaticContact CD2-CE2 3.82Å; F136-F199 HydrophobicContact CD2-CE2 3.82Å; F136-F199 HydrophobicContact CE1-CE2 4.19Å; F136-F199 HydrophobicContact CE2-CD2 4.28Å; F136-F199 AromaticContact CE2-CE2 3.54Å; F136-F199 HydrophobicContact CE2-CE2 3.54Å; F136-F199 HydrophobicContact CE2-CZ 4.2Å; F136-F199 HydrophobicContact CG-CD2 4.38Å; F136-F199 HydrophobicContact CG-CE2 4.29Å; F136-F199 AromaticContact CZ-CE2 3.74Å; F136-F199 HydrophobicContact CZ-CE2 3.74Å; F136-F199 HydrophobicContact CZ-CZ 4.42Å; F136-L203 HydrophobicContact CB-CD2 4.19Å; F136-L207 HydrophobicContact CD1-CD1 4.48Å; F136-L207 HydrophobicContact CE1-CD1 3.68Å; F136-L207 HydrophobicContact CZ-CD1 4.24Å
137I97.8Very high96.9Very high0 Ų030.6 Ų30.60%014%0.141CC..Hα-helixtrans-70.1-53.1-179.6-68.8162.6000110.6L101 N126 W133 A135 S140 G141L101-I137 HydrophobicContact CD1-CD1 4Å; L101-I137 HydrophobicContact CD1-CG1 3.9Å; L101-I137 HydrophobicContact CG-CG1 4.15Å; L101-I137 VanDerWaalsContact O-CG2 3.31Å; L101-I137 WeakPolarHBondContact O-CG2 3.33Å; N126-I137 WeakPolarHBondContact OD1-CD1 3.42Å; W133-I137 HydrophobicContact CB-CD1 4.2Å; W133-I137 HydrophobicContact CE3-CD1 4.2Å; W133-I137 HydrophobicContact CE3-CG1 4.42Å; W133-I137 VanDerWaalsContact O-CB 3.32Å; W133-I137 WeakPolarHBondContact O-CB 3.37Å; W133-I137 WeakPolarHBondContact O-CD1 3.19Å; W133-I137 VanDerWaalsContact O-CG1 3.29Å; W133-I137 WeakPolarHBondContact O-CG1 3.33Å; W133-I137 PolarHBondContact O-N 3.16Å; A135-I137 PolarHBondContact O-N 3.13Å; I137-S140 PolarHBondContact O-N 2.94Å; I137-G141 PolarHBondContact O-N 3.41Å
138T96.7Very high96.8Very high0 Ų032 Ų320%016%0.155CC..Hα-helixtrans-68.4-43.3-172.456.90000112.1S119 L121 E134 S140 G141 E142S119-T138 WeakPolarHBondContact CB-OG1 3.47Å; L121-T138 HydrophobicContact CB-CG2 4.1Å; E134-T138 VanDerWaalsContact O-CB 3.31Å; E134-T138 WeakPolarHBondContact O-CB 3.5Å; E134-T138 VanDerWaalsContact O-CG2 3.28Å; E134-T138 WeakPolarHBondContact O-CG2 3.42Å; E134-T138 PolarHBondContact O-N 2.85Å; E134-T138 PolarHBondContact O-OG1 3.24Å; T138-S140 VanDerWaalsContact C-N 3.29Å; T138-S140 PolarHBondContact O-N 2.88Å; T138-G141 CarbonylContact O-C 3.58Å; T138-G141 WeakPolarHBondContact O-CA 3.5Å; T138-G141 PolarHBondContact O-N 2.91Å; T138-E142 WeakPolarHBondContact O-CG 3.44Å; T138-E142 PolarHBondContact O-N 3.44Å
139L96.5Very high96.8Very high0 Ų034.6 Ų34.60%017%0.172CC..Hα-helixtrans-67.6-31.2177.8-59.7177.1000112.4A135 E142 C143 N189 F190 K193A135-L139 HydrophobicContact CB-CD1 4.27Å; A135-L139 WeakPolarHBondContact O-CB 3.35Å; A135-L139 WeakPolarHBondContact O-CD1 3.09Å; A135-L139 WeakPolarHBondContact O-CG 3.08Å; A135-L139 PolarHBondContact O-N 2.65Å; L139-E142 PolarHBondContact O-N 3.03Å; L139-C143 PolarHBondContact O-N 2.95Å; L139-C143 VanDerWaalsContact O-N 3.13Å; L139-C143 PolarHBondContact O-SG 3.18Å; L139-N189 HydrophobicContact CD1-CB 4.35Å; L139-N189 WeakPolarHBondContact CD1-O 3.46Å; L139-N189 HydrophobicContact CD2-CB 3.7Å; L139-F190 HydrophobicContact CB-CD1 4.32Å; L139-F190 HydrophobicContact CB-CD2 4.03Å; L139-F190 HydrophobicContact CB-CE1 3.9Å; L139-F190 HydrophobicContact CB-CE2 3.58Å; L139-F190 HydrophobicContact CB-CG 4.39Å; L139-F190 HydrophobicContact CB-CZ 3.52Å; L139-F190 HydrophobicContact CD1-CB 4.49Å; L139-F190 HydrophobicContact CD1-CD1 4.16Å; L139-F190 HydrophobicContact CD1-CD2 4.32Å; L139-F190 HydrophobicContact CD1-CG 4.08Å; L139-K193 HydrophobicContact CD1-CB 4.04Å; L139-K193 HydrophobicContact CD1-CD 4.32Å; L139-K193 HydrophobicContact CD2-CD 4.32Å
140S97.5Very high96.9Very high22 Ų2231.6 Ų31.615%0.15416%0.159CC..Hα-helixtrans-66.2-42.6169.7-59.40000110.7F136 I137 T138 E142 C143 E144F136-S140 VanDerWaalsContact O-CB 3.27Å; F136-S140 WeakPolarHBondContact O-CB 3.41Å; F136-S140 PolarHBondContact O-N 3.29Å; F136-S140 PolarHBondContact O-OG 3.03Å; I137-S140 PolarHBondContact O-N 2.94Å; T138-S140 VanDerWaalsContact C-N 3.29Å; T138-S140 PolarHBondContact O-N 2.88Å; S140-E142 VanDerWaalsContact C-N 3.34Å; S140-E142 PolarHBondContact O-N 2.96Å; S140-C143 WeakPolarHBondContact O-CB 2.99Å; S140-C143 PolarHBondContact O-N 3.16Å; S140-E144 WeakPolarHBondContact O-CG 3.44Å; S140-E144 PolarHBondContact O-N 3.5Å; S140-E144 VanDerWaalsContact O-N 3.09Å
141G96.9Very high97Very high6 Ų632.7 Ų32.76%0.06217%0.165CC..Hα-helixtrans-61.5-38.6174.300000113.2I137 T138 C143 E144 L145I137-G141 PolarHBondContact O-N 3.41Å; T138-G141 CarbonylContact O-C 3.58Å; T138-G141 WeakPolarHBondContact O-CA 3.5Å; T138-G141 PolarHBondContact O-N 2.91Å; G141-C143 VanDerWaalsContact C-N 3.33Å; G141-C143 PolarHBondContact O-N 2.54Å; G141-E144 WeakPolarHBondContact O-CB 3.26Å; G141-E144 PolarHBondContact O-N 3.49Å; G141-L145 WeakPolarHBondContact O-CG 3.31Å; G141-L145 PolarHBondContact O-N 2.94Å
142E95.5Very high97.1Very high5 Ų527 Ų272%0.02315%0.151CC..Hα-helixtrans-61.5-43.1173.2-67.6-172.416900111S119 F120 L121 T138 L139 S140 E144 L145 F146 N189S119-E142 WeakPolarHBondContact CA-OE1 3.27Å; S119-E142 WeakPolarHBondContact CB-OE1 3.44Å; S119-E142 VanDerWaalsContact OG-CD 3.24Å; S119-E142 WeakPolarHBondContact OG-CG 3.29Å; S119-E142 PolarHBondContact OG-OE1 2.89Å; F120-E142 HydrophobicContact CD1-CG 4.18Å; F120-E142 WeakPolarHBondContact CD1-OE1 3.1Å; F120-E142 HydrophobicContact CE1-CB 4.24Å; F120-E142 VanDerWaalsContact CE1-CD 3.45Å; F120-E142 HydrophobicContact CE1-CG 3.59Å; F120-E142 WeakPolarHBondContact CE1-OE1 3.5Å; F120-E142 HydrophobicContact CE2-CG 4.14Å; F120-E142 HydrophobicContact CZ-CB 4.04Å; F120-E142 HydrophobicContact CZ-CG 3.58Å; F120-E142 PolarHBondContact N-OE1 3.47Å; F120-E142 VanDerWaalsContact N-OE1 3.16Å; L121-E142 HydrophobicContact CD1-CG 4.11Å; L121-E142 HydrophobicContact CG-CG 4.39Å; T138-E142 WeakPolarHBondContact O-CG 3.44Å; T138-E142 PolarHBondContact O-N 3.44Å; L139-E142 PolarHBondContact O-N 3.03Å; S140-E142 VanDerWaalsContact C-N 3.34Å; S140-E142 PolarHBondContact O-N 2.96Å; E142-E144 VanDerWaalsContact C-N 3.31Å; E142-E144 PolarHBondContact O-N 2.89Å; E142-L145 PolarHBondContact O-N 2.99Å; E142-L145 VanDerWaalsContact O-N 3.14Å; E142-F146 HydrophobicContact CB-CD2 4.21Å; E142-F146 HydrophobicContact CB-CE2 4.11Å; E142-F146 WeakPolarHBondContact O-CD2 3.5Å; E142-F146 PolarHBondContact O-N 2.82Å; E142-N189 PolarHBondContact OE2-ND2 2.68Å
143C96.8Very high97.2Very high13 Ų1328.7 Ų28.79%0.08816%0.158CC..Hα-helixtrans-57.6-45.4175.7-66.70000111.2L139 S140 G141 L145 F146 F147 F183L139-C143 PolarHBondContact O-N 2.95Å; L139-C143 VanDerWaalsContact O-N 3.13Å; L139-C143 PolarHBondContact O-SG 3.18Å; S140-C143 WeakPolarHBondContact O-CB 2.99Å; S140-C143 PolarHBondContact O-N 3.16Å; G141-C143 VanDerWaalsContact C-N 3.33Å; G141-C143 PolarHBondContact O-N 2.54Å; C143-L145 VanDerWaalsContact C-N 3.32Å; C143-L145 PolarHBondContact O-N 3.36Å; C143-F146 PolarHBondContact O-N 3.43Å; C143-F147 PolarHBondContact O-N 2.94Å; C143-F147 VanDerWaalsContact O-N 3.11Å; C143-F183 HydrophobicContact CB-CD2 4.42Å; C143-F183 HydrophobicContact CB-CE2 3.97Å; C143-F183 WeakPolarHBondContact O-CD2 3.48Å; C143-F183 WeakPolarHBondContact O-CE2 3.39Å
144E96.7Very high97.3Very high33 Ų3328.7 Ų28.715%0.15416%0.158CC..Hα-helixtrans-59.7-41.1175.5-61.9-73.217300111.8V102 L103 S140 G141 E142 F147 S269 T271V102-E144 HydrophobicContact CG1-CG 4.25Å; L103-E144 HydrophobicContact CD2-CB 4.12Å; L103-E144 HydrophobicContact CD2-CG 3.71Å; S140-E144 WeakPolarHBondContact O-CG 3.44Å; S140-E144 PolarHBondContact O-N 3.5Å; S140-E144 VanDerWaalsContact O-N 3.09Å; G141-E144 WeakPolarHBondContact O-CB 3.26Å; G141-E144 PolarHBondContact O-N 3.49Å; E142-E144 VanDerWaalsContact C-N 3.31Å; E142-E144 PolarHBondContact O-N 2.89Å; E144-F147 WeakPolarHBondContact O-CB 3.42Å; E144-F147 PolarHBondContact O-N 3.32Å; E144-S269 VanDerWaalsContact CD-OG 3.29Å; E144-S269 WeakPolarHBondContact OE1-CB 3.41Å; E144-S269 PolarHBondContact OE1-OG 2.99Å; E144-S269 PolarHBondContact OE2-OG 3.21Å; E144-T271 WeakPolarHBondContact OE2-CG2 3.42Å
145L96.3Very high97.4Very high98 Ų9830.3 Ų30.351%0.51317%0.167SC..Hα-helixtrans-69.8-41.4177.8-70176.4000113F120 L121 G141 E142 C143 F147 G148F120-L145 HydrophobicContact CE2-CD1 3.74Å; F120-L145 HydrophobicContact CZ-CD1 4.38Å; L121-L145 HydrophobicContact CD1-CD1 3.9Å; L121-L145 HydrophobicContact CD2-CD1 3.89Å; L121-L145 HydrophobicContact CG-CD1 4.28Å; G141-L145 WeakPolarHBondContact O-CG 3.31Å; G141-L145 PolarHBondContact O-N 2.94Å; E142-L145 PolarHBondContact O-N 2.99Å; E142-L145 VanDerWaalsContact O-N 3.14Å; C143-L145 VanDerWaalsContact C-N 3.32Å; C143-L145 PolarHBondContact O-N 3.36Å; L145-F147 PolarHBondContact O-N 3.32Å; L145-G148 PolarHBondContact O-N 2.91Å
146F96.9Very high97.5Very high52 Ų5233.6 Ų33.623%0.22818%0.184CC..Hα-helixtrans-67.3-17.3176-75-62.9000112.9F120 E142 C143 Q182 F183 A186F120-F146 AromaticContact CE1-CE2 3.93Å; F120-F146 HydrophobicContact CE1-CE2 3.93Å; F120-F146 AromaticContact CE1-CZ 3.94Å; F120-F146 HydrophobicContact CE1-CZ 3.94Å; F120-F146 HydrophobicContact CZ-CE2 4.13Å; F120-F146 HydrophobicContact CZ-CZ 4.25Å; E142-F146 HydrophobicContact CB-CD2 4.21Å; E142-F146 HydrophobicContact CB-CE2 4.11Å; E142-F146 WeakPolarHBondContact O-CD2 3.5Å; E142-F146 PolarHBondContact O-N 2.82Å; C143-F146 PolarHBondContact O-N 3.43Å; F146-Q182 HydrophobicContact CD1-CB 3.91Å; F146-Q182 HydrophobicContact CE1-CB 4.36Å; F146-F183 HydrophobicContact CB-CB 4.25Å; F146-F183 HydrophobicContact CB-CD2 4.32Å; F146-A186 HydrophobicContact CD2-CB 3.52Å; F146-A186 HydrophobicContact CE2-CB 4Å; F146-A186 HydrophobicContact CG-CB 4.39Å
147F97.9Very high97.5Very high5 Ų531.9 Ų31.92%0.02218%0.176CC..Hα-helixtrans-77.4-22.9169-176.5-101000113.3C143 E144 L145 I150 L151 F183 T271 T274 C275C143-F147 PolarHBondContact O-N 2.94Å; C143-F147 VanDerWaalsContact O-N 3.11Å; E144-F147 WeakPolarHBondContact O-CB 3.42Å; E144-F147 PolarHBondContact O-N 3.32Å; L145-F147 PolarHBondContact O-N 3.32Å; F147-I150 HydrophobicContact CD2-CB 4.03Å; F147-I150 HydrophobicContact CD2-CD1 3.9Å; F147-I150 HydrophobicContact CD2-CG2 4.24Å; F147-I150 HydrophobicContact CE2-CB 3.96Å; F147-I150 HydrophobicContact CE2-CD1 4.29Å; F147-I150 HydrophobicContact CE2-CG2 3.68Å; F147-I150 HydrophobicContact CZ-CB 4.5Å; F147-I150 HydrophobicContact CZ-CG2 4.16Å; F147-I150 WeakPolarHBondContact O-CA 3.31Å; F147-I150 WeakPolarHBondContact O-CB 3.31Å; F147-I150 PolarHBondContact O-N 3.48Å; F147-L151 HydrophobicContact CD1-CB 4.29Å; F147-L151 HydrophobicContact CE1-CB 3.96Å; F147-L151 HydrophobicContact CE1-CD1 4.43Å; F147-L151 PolarHBondContact O-N 3.39Å; F147-L151 VanDerWaalsContact O-N 3.13Å; F147-F183 HydrophobicContact CB-CD2 4.28Å; F147-F183 HydrophobicContact CB-CE1 4.47Å; F147-F183 HydrophobicContact CB-CE2 4.09Å; F147-F183 HydrophobicContact CB-CZ 4.2Å; F147-F183 HydrophobicContact CD2-CD1 4.09Å; F147-F183 AromaticContact CD2-CE1 3.72Å; F147-F183 HydrophobicContact CD2-CE1 3.72Å; F147-F183 HydrophobicContact CD2-CZ 4.09Å; F147-T271 HydrophobicContact CB-CG2 3.7Å; F147-T271 HydrophobicContact CD1-CG2 3.6Å; F147-T271 HydrophobicContact CD2-CG2 4.15Å; F147-T271 HydrophobicContact CE1-CG2 4.25Å; F147-T271 WeakPolarHBondContact CE2-O 3.27Å; F147-T271 HydrophobicContact CG-CG2 3.53Å; F147-T271 VanDerWaalsContact CZ-O 3.25Å; F147-T271 WeakPolarHBondContact CZ-O 3.21Å; F147-T274 HydrophobicContact CE1-CG2 4.2Å; F147-T274 HydrophobicContact CZ-CG2 3.79Å; F147-C275 VanDerWaalsContact CE2-SG 3.59Å
148G97.4Very high97.6Very high28 Ų2833.7 Ų33.729%0.28919%0.185SC..Hα-helixtrans-48.4-48.3-177.200000114.9L145 I150 L151 L152L145-G148 PolarHBondContact O-N 2.91Å; G148-I150 VanDerWaalsContact C-N 3.32Å; G148-I150 PolarHBondContact O-N 2.97Å; G148-L151 WeakPolarHBondContact O-CB 3.38Å; G148-L151 PolarHBondContact O-N 3.31Å; G148-L152 PolarHBondContact O-N 3.48Å
149P98.2Very high97.6Very high60 Ų6040.5 Ų40.539%0.3922%0.215SC..Hα-helixtrans-60.4-37.5175.8-25.635.4000113.7L151 L152 E153 A179P149-L151 VanDerWaalsContact C-N 3.31Å; P149-L151 PolarHBondContact O-N 3.13Å; P149-L152 PolarHBondContact O-N 3.17Å; P149-E153 WeakPolarHBondContact O-CG 3.45Å; P149-E153 PolarHBondContact O-N 3.13Å; P149-E153 VanDerWaalsContact O-N 3.15Å; P149-A179 HydrophobicContact CB-CB 4.15Å
150I98.7Very high97.7Very high0 Ų041 Ų410%022%0.22CC..Hα-helixtrans-62.9-42.2176.9-61.3169000109.9F147 G148 L152 E153 I154 I176 A179 F180 F183F147-I150 HydrophobicContact CD2-CB 4.03Å; F147-I150 HydrophobicContact CD2-CD1 3.9Å; F147-I150 HydrophobicContact CD2-CG2 4.24Å; F147-I150 HydrophobicContact CE2-CB 3.96Å; F147-I150 HydrophobicContact CE2-CD1 4.29Å; F147-I150 HydrophobicContact CE2-CG2 3.68Å; F147-I150 HydrophobicContact CZ-CB 4.5Å; F147-I150 HydrophobicContact CZ-CG2 4.16Å; F147-I150 WeakPolarHBondContact O-CA 3.31Å; F147-I150 WeakPolarHBondContact O-CB 3.31Å; F147-I150 PolarHBondContact O-N 3.48Å; G148-I150 VanDerWaalsContact C-N 3.32Å; G148-I150 PolarHBondContact O-N 2.97Å; I150-L152 VanDerWaalsContact C-N 3.34Å; I150-L152 PolarHBondContact O-N 3.19Å; I150-E153 PolarHBondContact O-N 2.82Å; I150-I154 HydrophobicContact CG2-CD1 3.91Å; I150-I154 HydrophobicContact CG2-CG1 4.37Å; I150-I154 VanDerWaalsContact O-CG1 3.32Å; I150-I154 WeakPolarHBondContact O-CG1 3.36Å; I150-I154 PolarHBondContact O-N 3.05Å; I150-I176 HydrophobicContact CG2-CG1 4.26Å; I150-I176 HydrophobicContact CG2-CG2 4.01Å; I150-A179 HydrophobicContact CD1-CB 4.33Å; I150-A179 HydrophobicContact CG1-CB 3.55Å; I150-F180 HydrophobicContact CD1-CB 4.5Å; I150-F180 HydrophobicContact CD1-CD1 4.17Å; I150-F180 HydrophobicContact CD1-CD2 3.89Å; I150-F180 HydrophobicContact CD1-CE1 4.36Å; I150-F180 HydrophobicContact CD1-CE2 4.1Å; I150-F180 HydrophobicContact CD1-CG 3.93Å; I150-F180 HydrophobicContact CD1-CZ 4.33Å; I150-F180 HydrophobicContact CG2-CE2 4.47Å; I150-F183 HydrophobicContact CD1-CB 4.19Å; I150-F183 HydrophobicContact CD1-CD1 3.9Å; I150-F183 HydrophobicContact CD1-CG 4.37Å
151L98Very high97.7Very high50 Ų5040.4 Ų40.426%0.26221%0.214SC..Hα-helixtrans-60.5-42178.2-178.963.2000112.1F147 G148 P149 I154 M155 T274 F305F147-L151 HydrophobicContact CD1-CB 4.29Å; F147-L151 HydrophobicContact CE1-CB 3.96Å; F147-L151 HydrophobicContact CE1-CD1 4.43Å; F147-L151 PolarHBondContact O-N 3.39Å; F147-L151 VanDerWaalsContact O-N 3.13Å; G148-L151 WeakPolarHBondContact O-CB 3.38Å; G148-L151 PolarHBondContact O-N 3.31Å; P149-L151 VanDerWaalsContact C-N 3.31Å; P149-L151 PolarHBondContact O-N 3.13Å; L151-I154 PolarHBondContact O-N 2.97Å; L151-M155 WeakPolarHBondContact O-CG 3.15Å; L151-M155 PolarHBondContact O-N 3Å; L151-T274 HydrophobicContact CD1-CG2 4.14Å; L151-F305 HydrophobicContact CD1-CE1 3.42Å; L151-F305 VanDerWaalsContact CD1-CE1 3.42Å; L151-F305 HydrophobicContact CD1-CZ 3.42Å; L151-F305 VanDerWaalsContact CD1-CZ 3.42Å
152L98.1Very high97.7Very high108 Ų10846.6 Ų46.657%0.56525%0.246SC*.Hα-helixtrans-64-44177.6-65.4176.6000111.8G148 P149 I150 I154 M155 N156G148-L152 PolarHBondContact O-N 3.48Å; P149-L152 PolarHBondContact O-N 3.17Å; I150-L152 VanDerWaalsContact C-N 3.34Å; I150-L152 PolarHBondContact O-N 3.19Å; L152-I154 VanDerWaalsContact C-N 3.35Å; L152-M155 PolarHBondContact O-N 2.85Å; L152-N156 PolarHBondContact O-N 2.93Å; L152-N156 PolarHBondContact O-ND2 2.97Å
153E98.7Very high97.8Very high40 Ų4051.7 Ų51.719%0.18728%0.279CS..Hα-helixtrans-66.3-36.3177-64.5-61.2172.400112.4P149 I150 M155 N156 A157 C172 N175 I176P149-E153 WeakPolarHBondContact O-CG 3.45Å; P149-E153 PolarHBondContact O-N 3.13Å; P149-E153 VanDerWaalsContact O-N 3.15Å; I150-E153 PolarHBondContact O-N 2.82Å; E153-M155 VanDerWaalsContact C-N 3.33Å; E153-M155 PolarHBondContact O-N 3.33Å; E153-N156 PolarHBondContact O-N 2.95Å; E153-A157 WeakPolarHBondContact O-CB 3.43Å; E153-A157 PolarHBondContact O-N 2.95Å; E153-C172 HydrophobicContact CB-CB 4.38Å; E153-C172 WeakPolarHBondContact OE2-CA 3.47Å; E153-C172 PolarHBondContact OE2-SG 2.8Å; E153-N175 HydrophobicContact CG-CB 3.8Å; E153-N175 WeakPolarHBondContact OE1-CB 3.13Å; E153-N175 PolarHBondContact OE1-ND2 2.88Å; E153-I176 HydrophobicContact CB-CD1 3.96Å; E153-I176 HydrophobicContact CB-CG1 3.49Å; E153-I176 VanDerWaalsContact CB-CG1 3.49Å; E153-I176 HydrophobicContact CG-CG1 4.29Å
154I98.7Very high97.9Very high0 Ų055.3 Ų55.30%030%0.297CS..Hα-helixtrans-58.7-46.8171.4-74.8173.6000110.2I150 L151 L152 N156 A157 I158 I176 T274 F278 L309I150-I154 HydrophobicContact CG2-CD1 3.91Å; I150-I154 HydrophobicContact CG2-CG1 4.37Å; I150-I154 VanDerWaalsContact O-CG1 3.32Å; I150-I154 WeakPolarHBondContact O-CG1 3.36Å; I150-I154 PolarHBondContact O-N 3.05Å; L151-I154 PolarHBondContact O-N 2.97Å; L152-I154 VanDerWaalsContact C-N 3.35Å; I154-N156 VanDerWaalsContact C-N 3.35Å; I154-N156 PolarHBondContact O-N 2.92Å; I154-A157 PolarHBondContact O-N 3.44Å; I154-I158 HydrophobicContact CG2-CG1 4.49Å; I154-I158 VanDerWaalsContact O-CG1 3.26Å; I154-I158 WeakPolarHBondContact O-CG1 3.16Å; I154-I158 PolarHBondContact O-N 3.39Å; I154-I176 HydrophobicContact CG1-CD1 3.93Å; I154-T274 HydrophobicContact CD1-CG2 3.65Å; I154-F278 HydrophobicContact CB-CD2 4.42Å; I154-F278 HydrophobicContact CB-CG 4.44Å; I154-F278 HydrophobicContact CD1-CB 4.15Å; I154-F278 HydrophobicContact CD1-CD1 4.09Å; I154-F278 HydrophobicContact CD1-CG 4.16Å; I154-F278 HydrophobicContact CG1-CB 4.41Å; I154-F278 HydrophobicContact CG1-CD1 3.72Å; I154-F278 HydrophobicContact CG1-CD2 4.32Å; I154-F278 HydrophobicContact CG1-CE1 3.98Å; I154-F278 HydrophobicContact CG1-CG 3.89Å; I154-F278 HydrophobicContact CG1-CZ 4.39Å; I154-F278 HydrophobicContact CG2-CB 4.2Å; I154-F278 HydrophobicContact CG2-CD2 3.68Å; I154-F278 HydrophobicContact CG2-CE2 4.17Å; I154-F278 HydrophobicContact CG2-CG 3.9Å; I154-L309 HydrophobicContact CG2-CD1 4.13Å; I154-L309 HydrophobicContact CG2-CD2 3.9Å
155M98.2Very high97.9Very high78 Ų7857 Ų5738%0.38431%0.308SS..Hα-helixtrans-63.8-39.4178.8-68.6177.768.800112.5L151 L152 E153 K159L151-M155 WeakPolarHBondContact O-CG 3.15Å; L151-M155 PolarHBondContact O-N 3Å; L152-M155 PolarHBondContact O-N 2.85Å; E153-M155 VanDerWaalsContact C-N 3.33Å; E153-M155 PolarHBondContact O-N 3.33Å; M155-K159 WeakPolarHBondContact O-CG 3.49Å; M155-K159 PolarHBondContact O-N 3.16Å; M155-K159 VanDerWaalsContact O-N 3.11Å
156N98.5Very high98Very high71 Ų7155.4 Ų55.438%0.3830%0.298SS..Hα-helixtrans-66.4-44.1176.3-69.7-22.7000111.6L152 E153 I154 I158 K159 A160L152-N156 PolarHBondContact O-N 2.93Å; L152-N156 PolarHBondContact O-ND2 2.97Å; E153-N156 PolarHBondContact O-N 2.95Å; I154-N156 VanDerWaalsContact C-N 3.35Å; I154-N156 PolarHBondContact O-N 2.92Å; N156-I158 VanDerWaalsContact C-N 3.34Å; N156-I158 PolarHBondContact O-N 3.3Å; N156-K159 PolarHBondContact O-N 3.3Å; N156-A160 WeakPolarHBondContact O-CB 3.47Å; N156-A160 PolarHBondContact O-N 3.42Å
157A98.6Very high98.1Very high0 Ų058.3 Ų58.30%032%0.315CS..Hα-helixtrans-60.8-42.5176.100000111.8E153 I154 A160 Q161 C172 F278E153-A157 WeakPolarHBondContact O-CB 3.43Å; E153-A157 PolarHBondContact O-N 2.95Å; I154-A157 PolarHBondContact O-N 3.44Å; A157-A160 PolarHBondContact O-N 2.58Å; A157-Q161 WeakPolarHBondContact O-CG 3.36Å; A157-Q161 PolarHBondContact O-N 3.37Å; A157-C172 HydrophobicContact CB-CB 3.84Å; A157-F278 HydrophobicContact CB-CE2 4.01Å; A157-F278 HydrophobicContact CB-CZ 3.68Å
158I98.2Very high98.1Very high38 Ų3860.7 Ų60.720%0.19533%0.33CS..Hα-helixtrans-60.9-45.3176-70.5-69000111.5I154 N156 A160 Q161 F278 L309I154-I158 HydrophobicContact CG2-CG1 4.49Å; I154-I158 VanDerWaalsContact O-CG1 3.26Å; I154-I158 WeakPolarHBondContact O-CG1 3.16Å; I154-I158 PolarHBondContact O-N 3.39Å; N156-I158 VanDerWaalsContact C-N 3.34Å; N156-I158 PolarHBondContact O-N 3.3Å; I158-A160 VanDerWaalsContact C-N 3.28Å; I158-A160 PolarHBondContact O-N 2.83Å; I158-Q161 WeakPolarHBondContact O-CB 3.3Å; I158-Q161 VanDerWaalsContact O-CG 3.31Å; I158-Q161 WeakPolarHBondContact O-CG 3.4Å; I158-Q161 PolarHBondContact O-N 3.04Å; I158-F278 HydrophobicContact CD1-CD2 3.96Å; I158-F278 HydrophobicContact CD1-CE2 3.98Å; I158-F278 HydrophobicContact CG1-CD2 4.16Å; I158-F278 HydrophobicContact CG1-CE2 4.04Å; I158-L309 HydrophobicContact CD1-CD2 3.96Å; I158-L309 HydrophobicContact CG1-CD2 3.75Å
159K97.7Very high98.2Very high144 Ų14459.3 Ų59.363%0.62632%0.316SS*.Hα-helixtrans-62.4-37176.4-72.4173.1-178.1175.90112M155 N156 Q161 D162M155-K159 WeakPolarHBondContact O-CG 3.49Å; M155-K159 PolarHBondContact O-N 3.16Å; M155-K159 VanDerWaalsContact O-N 3.11Å; N156-K159 PolarHBondContact O-N 3.3Å; K159-Q161 PolarHBondContact O-N 3.12Å; K159-D162 PolarHBondContact O-N 2.92Å
160A98.4Very high98.2Very high11 Ų1156.5 Ų56.59%0.09130%0.298CS..THydrogen-bonded Turntrans-73.70.417900000114.2N156 A157 I158 L164 N165 V168 I169N156-A160 WeakPolarHBondContact O-CB 3.47Å; N156-A160 PolarHBondContact O-N 3.42Å; A157-A160 PolarHBondContact O-N 2.58Å; I158-A160 VanDerWaalsContact C-N 3.28Å; I158-A160 PolarHBondContact O-N 2.83Å; A160-L164 CarbonylContact O-C 3.53Å; A160-L164 WeakPolarHBondContact O-CA 3.45Å; A160-N165 HydrophobicContact CB-CB 4.38Å; A160-N165 PolarHBondContact O-N 2.81Å; A160-V168 HydrophobicContact CB-CB 4.01Å; A160-V168 HydrophobicContact CB-CG1 3.67Å; A160-I169 HydrophobicContact CB-CD1 4.4Å; A160-I169 HydrophobicContact CB-CG1 3.66Å
161Q98.3Very high98.2Very high9 Ų961.6 Ų61.64%0.04232%0.322CS..BIsolated β-bridgetrans-78.7-21.5173.1-53.7-179.5143.900112.6A157 I158 K159 L164 I169 Y312 R314 I318A157-Q161 WeakPolarHBondContact O-CG 3.36Å; A157-Q161 PolarHBondContact O-N 3.37Å; I158-Q161 WeakPolarHBondContact O-CB 3.3Å; I158-Q161 VanDerWaalsContact O-CG 3.31Å; I158-Q161 WeakPolarHBondContact O-CG 3.4Å; I158-Q161 PolarHBondContact O-N 3.04Å; K159-Q161 PolarHBondContact O-N 3.12Å; Q161-L164 PolarHBondContact O-N 3.48Å; Q161-I169 HydrophobicContact CG-CD1 4.38Å; Q161-Y312 PolarHBondContact NE2-O 2.8Å; Q161-R314 PolarHBondContact O-NH2 2.9Å; Q161-I318 HydrophobicContact CB-CD1 4.01Å; Q161-I318 HydrophobicContact CG-CD1 3.76Å
162D96.2Very high98.3Very high136 Ų13659.4 Ų59.473%0.72731%0.311SS*.THydrogen-bonded Turntrans-147.5108-178-168.615.2000113K159K159-D162 PolarHBondContact O-N 2.92Å
163P97.4Very high98.3Very high111 Ų11154.3 Ų54.372%0.72128%0.284SS*.THydrogen-bonded Turncis-64.1147.9-5.529.5-35.3000110.8N165P163-N165 PolarHBondContact O-N 3.02Å
164L98.1Very high98.3Very high90 Ų9054.7 Ų54.747%0.47129%0.286SS..BIsolated β-bridgetrans-61.5119.6-178177.463000111.1A160 Q161 E166 I169 I318A160-L164 CarbonylContact O-C 3.53Å; A160-L164 WeakPolarHBondContact O-CA 3.45Å; Q161-L164 PolarHBondContact O-N 3.48Å; L164-E166 HydrophobicContact CD1-CG 4.25Å; L164-E166 HydrophobicContact CD2-CG 4.32Å; L164-E166 HydrophobicContact CG-CG 4.22Å; L164-I169 HydrophobicContact CD1-CD1 3.78Å; L164-I318 HydrophobicContact CD1-CD1 3.89Å; L164-I318 HydrophobicContact CD1-CG1 4.21Å; L164-I318 HydrophobicContact CD1-CG2 3.67Å
165N98.4Very high98.3Very high69 Ų6956.5 Ų56.537%0.36930%0.295SS..  trans-126.490.7174.3-173.4-28.1000109.8A160 P163 D167 V168 I169A160-N165 HydrophobicContact CB-CB 4.38Å; A160-N165 PolarHBondContact O-N 2.81Å; P163-N165 PolarHBondContact O-N 3.02Å; N165-D167 VanDerWaalsContact C-N 3.27Å; N165-D167 PolarHBondContact O-N 3.17Å; N165-D167 PolarHBondContact OD1-N 3.42Å; N165-V168 HydrophobicContact CB-CB 4.32Å; N165-V168 HydrophobicContact CB-CG2 4.45Å; N165-V168 VanDerWaalsContact ND2-CG2 3.35Å; N165-V168 WeakPolarHBondContact ND2-CG2 3.42Å; N165-V168 PolarHBondContact O-N 2.96Å; N165-V168 PolarHBondContact OD1-N 2.9Å; N165-I169 WeakPolarHBondContact O-CG1 3.41Å; N165-I169 PolarHBondContact O-N 2.91Å; N165-I169 VanDerWaalsContact O-N 3.1Å
166E98.2Very high98.4Very high64 Ų6452.8 Ų52.830%0.29928%0.277SS..Hα-helixtrans-62.7-31.3-177.6-69.2-170.6-161.700113.2L164 I169 T170 I318 S322 M327L164-E166 HydrophobicContact CD1-CG 4.25Å; L164-E166 HydrophobicContact CD2-CG 4.32Å; L164-E166 HydrophobicContact CG-CG 4.22Å; E166-I169 PolarHBondContact O-N 2.98Å; E166-T170 VanDerWaalsContact O-CB 3.29Å; E166-T170 WeakPolarHBondContact O-CB 3.31Å; E166-T170 PolarHBondContact O-N 3.11Å; E166-T170 PolarHBondContact O-OG1 3Å; E166-I318 HydrophobicContact CG-CG2 4.47Å; E166-S322 WeakPolarHBondContact OE2-CB 3.38Å; E166-S322 PolarHBondContact OE2-OG 2.68Å; E166-M327 HydrophobicContact CB-SD 4.14Å; E166-M327 HydrophobicContact CG-SD 4.12Å
167D98.4Very high98.4Very high113 Ų11350.6 Ų50.660%0.60427%0.266SS*.Hα-helixtrans-67.2-47179.7-72.8-33.4000111.2N165 T170 E171N165-D167 VanDerWaalsContact C-N 3.27Å; N165-D167 PolarHBondContact O-N 3.17Å; N165-D167 PolarHBondContact OD1-N 3.42Å; D167-T170 PolarHBondContact O-N 3.42Å; D167-E171 PolarHBondContact O-N 3.31Å
168V98.7Very high98.4Very high54 Ų5456.6 Ų56.633%0.32729%0.292SS..Hα-helixtrans-63.9-42.71761720000110.7A160 N165 T170 E171 C172A160-V168 HydrophobicContact CB-CB 4.01Å; A160-V168 HydrophobicContact CB-CG1 3.67Å; N165-V168 HydrophobicContact CB-CB 4.32Å; N165-V168 HydrophobicContact CB-CG2 4.45Å; N165-V168 VanDerWaalsContact ND2-CG2 3.35Å; N165-V168 WeakPolarHBondContact ND2-CG2 3.42Å; N165-V168 PolarHBondContact O-N 2.96Å; N165-V168 PolarHBondContact OD1-N 2.9Å; V168-T170 VanDerWaalsContact C-N 3.31Å; V168-T170 PolarHBondContact O-N 2.92Å; V168-E171 PolarHBondContact O-N 2.91Å; V168-C172 PolarHBondContact O-N 3.45Å; V168-C172 PolarHBondContact O-SG 2.82Å
169I98.8Very high98.4Very high0 Ų055.4 Ų55.40%029%0.288CS..Hα-helixtrans-60-44.6176.1-68.6171.9000110.7A160 Q161 L164 N165 E166 E171 C172 L173 I315 I318 M327A160-I169 HydrophobicContact CB-CD1 4.4Å; A160-I169 HydrophobicContact CB-CG1 3.66Å; Q161-I169 HydrophobicContact CG-CD1 4.38Å; L164-I169 HydrophobicContact CD1-CD1 3.78Å; N165-I169 WeakPolarHBondContact O-CG1 3.41Å; N165-I169 PolarHBondContact O-N 2.91Å; N165-I169 VanDerWaalsContact O-N 3.1Å; E166-I169 PolarHBondContact O-N 2.98Å; I169-E171 VanDerWaalsContact C-N 3.35Å; I169-E171 PolarHBondContact O-N 3.02Å; I169-C172 WeakPolarHBondContact O-CB 3.39Å; I169-C172 PolarHBondContact O-N 2.94Å; I169-L173 HydrophobicContact CG2-CD1 4.09Å; I169-L173 HydrophobicContact CG2-CG 4.38Å; I169-L173 VanDerWaalsContact O-CG 3.32Å; I169-L173 WeakPolarHBondContact O-CG 3.45Å; I169-L173 PolarHBondContact O-N 2.84Å; I169-I315 HydrophobicContact CG2-CD1 3.15Å; I169-I318 HydrophobicContact CD1-CD1 4.18Å; I169-I318 HydrophobicContact CD1-CG2 4.29Å; I169-M327 HydrophobicContact CB-CE 4.21Å; I169-M327 HydrophobicContact CG2-CE 3.43Å; I169-M327 VanDerWaalsContact CG2-CE 3.43Å
170T98.8Very high98.4Very high1 Ų148.7 Ų48.71%0.00626%0.259CS..Hα-helixtrans-61.2-44.7179.5-60.70000111.2E166 D167 V168 L173 E174 R326 M327E166-T170 VanDerWaalsContact O-CB 3.29Å; E166-T170 WeakPolarHBondContact O-CB 3.31Å; E166-T170 PolarHBondContact O-N 3.11Å; E166-T170 PolarHBondContact O-OG1 3Å; D167-T170 PolarHBondContact O-N 3.42Å; V168-T170 VanDerWaalsContact C-N 3.31Å; V168-T170 PolarHBondContact O-N 2.92Å; T170-L173 PolarHBondContact O-N 3.38Å; T170-E174 WeakPolarHBondContact O-CG 3.06Å; T170-E174 PolarHBondContact O-N 3.03Å; T170-R326 HydrophobicContact CG2-CB 4.31Å; T170-R326 HydrophobicContact CG2-CG 3.62Å; T170-M327 HydrophobicContact CG2-CB 4.46Å; T170-M327 VanDerWaalsContact OG1-CB 3.27Å; T170-M327 WeakPolarHBondContact OG1-CB 3.4Å; T170-M327 WeakPolarHBondContact OG1-CG 3.37Å
171E98.8Very high98.3Very high107 Ų10752.1 Ų52.150%0.527%0.274SS..Hα-helixtrans-61.4-44.4175.3-175.1177.5-17500111.9D167 V168 I169 L173 E174 N175D167-E171 PolarHBondContact O-N 3.31Å; V168-E171 PolarHBondContact O-N 2.91Å; I169-E171 VanDerWaalsContact C-N 3.35Å; I169-E171 PolarHBondContact O-N 3.02Å; E171-L173 VanDerWaalsContact C-N 3.32Å; E171-L173 PolarHBondContact O-N 2.95Å; E171-E174 PolarHBondContact O-N 2.96Å; E171-N175 WeakPolarHBondContact O-CB 3.38Å; E171-N175 VanDerWaalsContact O-CG 3.3Å; E171-N175 PolarHBondContact O-N 2.78Å
172C98.9Very high98.2Very high4 Ų457 Ų573%0.02730%0.297CS..Hα-helixtrans-58-45.4175.9-650000111E153 A157 V168 I169 N175 I176E153-C172 HydrophobicContact CB-CB 4.38Å; E153-C172 WeakPolarHBondContact OE2-CA 3.47Å; E153-C172 PolarHBondContact OE2-SG 2.8Å; A157-C172 HydrophobicContact CB-CB 3.84Å; V168-C172 PolarHBondContact O-N 3.45Å; V168-C172 PolarHBondContact O-SG 2.82Å; I169-C172 WeakPolarHBondContact O-CB 3.39Å; I169-C172 PolarHBondContact O-N 2.94Å; C172-N175 PolarHBondContact O-N 2.65Å; C172-I176 VanDerWaalsContact O-CG1 3.24Å; C172-I176 WeakPolarHBondContact O-CG1 3.44Å; C172-I176 PolarHBondContact O-N 2.89Å
173L98.9Very high98.2Very high0 Ų050.6 Ų50.60%026%0.263CS..Hα-helixtrans-61.7-44.9177.2-68.3171.1000111.8I169 T170 E171 N175 I176 V177 F278 F279 I315 M327 A330 C334I169-L173 HydrophobicContact CG2-CD1 4.09Å; I169-L173 HydrophobicContact CG2-CG 4.38Å; I169-L173 VanDerWaalsContact O-CG 3.32Å; I169-L173 WeakPolarHBondContact O-CG 3.45Å; I169-L173 PolarHBondContact O-N 2.84Å; T170-L173 PolarHBondContact O-N 3.38Å; E171-L173 VanDerWaalsContact C-N 3.32Å; E171-L173 PolarHBondContact O-N 2.95Å; L173-N175 VanDerWaalsContact C-N 3.3Å; L173-N175 PolarHBondContact O-N 3.42Å; L173-I176 WeakPolarHBondContact O-CB 3.3Å; L173-I176 PolarHBondContact O-N 3.07Å; L173-V177 WeakPolarHBondContact O-CG2 3.24Å; L173-V177 PolarHBondContact O-N 3.24Å; L173-F278 HydrophobicContact CD2-CE1 4.26Å; L173-F279 HydrophobicContact CD2-CE1 3.85Å; L173-I315 HydrophobicContact CD1-CD1 4.26Å; L173-I315 HydrophobicContact CD2-CD1 4.34Å; L173-I315 HydrophobicContact CD2-CG1 4.21Å; L173-M327 HydrophobicContact CD1-CG 4.38Å; L173-A330 HydrophobicContact CB-CB 3.75Å; L173-A330 HydrophobicContact CD1-CB 4.44Å; L173-C334 PolarHBondContact O-SG 3.06Å
174E98.8Very high98.2Very high49 Ų4948.8 Ų48.823%0.22924%0.242CC..Hα-helixtrans-61.8-38.5176.1-71.7173.2170.700112T170 E171 V177 K178 R326 A330T170-E174 WeakPolarHBondContact O-CG 3.06Å; T170-E174 PolarHBondContact O-N 3.03Å; E171-E174 PolarHBondContact O-N 2.96Å; E174-V177 PolarHBondContact O-N 2.95Å; E174-K178 WeakPolarHBondContact O-CG 3.47Å; E174-K178 PolarHBondContact O-N 2.79Å; E174-K178 VanDerWaalsContact O-N 3.15Å; E174-R326 WeakPolarHBondContact OE1-CG 3.39Å; E174-R326 IonicContact OE1-CZ 3.5Å; E174-R326 IonicContact OE1-NE 2.75Å; E174-R326 PolarHBondContact OE1-NE 3.03Å; E174-R326 IonicContact OE1-NH2 3.4Å; E174-R326 PolarHBondContact OE1-NH2 3.41Å; E174-R326 IonicContact OE2-CZ 3.64Å; E174-R326 IonicContact OE2-NE 3.68Å; E174-R326 IonicContact OE2-NH2 2.76Å; E174-R326 PolarHBondContact OE2-NH2 3.04Å; E174-A330 HydrophobicContact CG-CB 3.85Å
175N98.8Very high98.1Very high38 Ų3847.3 Ų47.320%0.20324%0.235CC..Hα-helixtrans-69.9-37.2176-69.6-16.3000112E153 E171 C172 L173 V177 K178 A179E153-N175 HydrophobicContact CG-CB 3.8Å; E153-N175 WeakPolarHBondContact OE1-CB 3.13Å; E153-N175 PolarHBondContact OE1-ND2 2.88Å; E171-N175 WeakPolarHBondContact O-CB 3.38Å; E171-N175 VanDerWaalsContact O-CG 3.3Å; E171-N175 PolarHBondContact O-N 2.78Å; C172-N175 PolarHBondContact O-N 2.65Å; L173-N175 VanDerWaalsContact C-N 3.3Å; L173-N175 PolarHBondContact O-N 3.42Å; N175-V177 VanDerWaalsContact C-N 3.34Å; N175-V177 PolarHBondContact O-N 2.81Å; N175-K178 PolarHBondContact O-N 3.17Å; N175-K178 PolarHBondContact OD1-NZ 3.29Å; N175-K178 VanDerWaalsContact OD1-NZ 3.09Å; N175-A179 WeakPolarHBondContact O-CB 3.24Å; N175-A179 PolarHBondContact O-N 2.89Å
176I98.8Very high97.9Very high0 Ų044.1 Ų44.10%022%0.218CC..Hα-helixtrans-58.6-45.9171.2-71.1166000110.6I150 E153 I154 C172 L173 K178 A179 F180 F278 F279I150-I176 HydrophobicContact CG2-CG1 4.26Å; I150-I176 HydrophobicContact CG2-CG2 4.01Å; E153-I176 HydrophobicContact CB-CD1 3.96Å; E153-I176 HydrophobicContact CB-CG1 3.49Å; E153-I176 VanDerWaalsContact CB-CG1 3.49Å; E153-I176 HydrophobicContact CG-CG1 4.29Å; I154-I176 HydrophobicContact CG1-CD1 3.93Å; C172-I176 VanDerWaalsContact O-CG1 3.24Å; C172-I176 WeakPolarHBondContact O-CG1 3.44Å; C172-I176 PolarHBondContact O-N 2.89Å; L173-I176 WeakPolarHBondContact O-CB 3.3Å; L173-I176 PolarHBondContact O-N 3.07Å; I176-K178 VanDerWaalsContact C-N 3.33Å; I176-K178 PolarHBondContact O-N 3.45Å; I176-A179 PolarHBondContact O-N 3.33Å; I176-F180 HydrophobicContact CG2-CD2 3.64Å; I176-F180 HydrophobicContact CG2-CE2 3.74Å; I176-F180 WeakPolarHBondContact O-CD2 3.33Å; I176-F180 PolarHBondContact O-N 2.91Å; I176-F278 HydrophobicContact CD1-CE1 4.01Å; I176-F279 HydrophobicContact CG2-CZ 4.25Å
177V98.8Very high97.9Very high25 Ų2541.6 Ų41.615%0.15221%0.206CC..Hα-helixtrans-57.1-46.6176.6173.70000111.1L173 E174 N175 F180 Q333L173-V177 WeakPolarHBondContact O-CG2 3.24Å; L173-V177 PolarHBondContact O-N 3.24Å; E174-V177 PolarHBondContact O-N 2.95Å; N175-V177 VanDerWaalsContact C-N 3.34Å; N175-V177 PolarHBondContact O-N 2.81Å; V177-F180 PolarHBondContact O-N 3.32Å; V177-Q333 HydrophobicContact CG1-CB 4.35Å; V177-Q333 HydrophobicContact CG2-CB 3.61Å
178K98.4Very high97.7Very high126 Ų12641.9 Ų41.955%0.54820%0.202SC..Hα-helixtrans-62-46.4178-65.5166.8-163.3159.20111.4E174 N175 I176 F180 I181E174-K178 WeakPolarHBondContact O-CG 3.47Å; E174-K178 PolarHBondContact O-N 2.79Å; E174-K178 VanDerWaalsContact O-N 3.15Å; N175-K178 PolarHBondContact O-N 3.17Å; N175-K178 PolarHBondContact OD1-NZ 3.29Å; N175-K178 VanDerWaalsContact OD1-NZ 3.09Å; I176-K178 VanDerWaalsContact C-N 3.33Å; I176-K178 PolarHBondContact O-N 3.45Å; K178-F180 VanDerWaalsContact C-N 3.34Å; K178-F180 PolarHBondContact O-N 3.41Å; K178-I181 WeakPolarHBondContact O-CB 3.48Å; K178-I181 PolarHBondContact O-N 3.02Å
179A98.2Very high97.4Very high12 Ų1241.8 Ų41.810%0.09920%0.2CC..Hα-helixtrans-65.9-34.6-178.900000112.6P149 I150 N175 I176 I181 Q182 F183P149-A179 HydrophobicContact CB-CB 4.15Å; I150-A179 HydrophobicContact CD1-CB 4.33Å; I150-A179 HydrophobicContact CG1-CB 3.55Å; N175-A179 WeakPolarHBondContact O-CB 3.24Å; N175-A179 PolarHBondContact O-N 2.89Å; I176-A179 PolarHBondContact O-N 3.33Å; A179-I181 PolarHBondContact O-N 3.46Å; A179-I181 VanDerWaalsContact O-N 3.17Å; A179-Q182 PolarHBondContact O-N 2.99Å; A179-Q182 VanDerWaalsContact O-N 3.13Å; A179-F183 PolarHBondContact O-N 3.41Å; A179-F183 VanDerWaalsContact O-N 3.12Å
180F98.2Very high97.3Very high3 Ų342.5 Ų42.51%0.01320%0.203CC..Hα-helixtrans-58.3-28.4174.6-105.1-68.8000113.6I150 I176 V177 K178 F183 R184 L338 F341I150-F180 HydrophobicContact CD1-CB 4.5Å; I150-F180 HydrophobicContact CD1-CD1 4.17Å; I150-F180 HydrophobicContact CD1-CD2 3.89Å; I150-F180 HydrophobicContact CD1-CE1 4.36Å; I150-F180 HydrophobicContact CD1-CE2 4.1Å; I150-F180 HydrophobicContact CD1-CG 3.93Å; I150-F180 HydrophobicContact CD1-CZ 4.33Å; I150-F180 HydrophobicContact CG2-CE2 4.47Å; I176-F180 HydrophobicContact CG2-CD2 3.64Å; I176-F180 HydrophobicContact CG2-CE2 3.74Å; I176-F180 WeakPolarHBondContact O-CD2 3.33Å; I176-F180 PolarHBondContact O-N 2.91Å; V177-F180 PolarHBondContact O-N 3.32Å; K178-F180 VanDerWaalsContact C-N 3.34Å; K178-F180 PolarHBondContact O-N 3.41Å; F180-F183 AromaticContact CD1-CD1 3.92Å; F180-F183 HydrophobicContact CD1-CD1 3.92Å; F180-F183 AromaticContact CE1-CD1 3.85Å; F180-F183 HydrophobicContact CE1-CD1 3.85Å; F180-F183 HydrophobicContact CE1-CE1 4.2Å; F180-R184 VanDerWaalsContact O-CB 3.23Å; F180-R184 WeakPolarHBondContact O-CB 3.45Å; F180-R184 PolarHBondContact O-N 3.26Å; F180-L338 HydrophobicContact CE1-CD1 4.36Å; F180-L338 HydrophobicContact CZ-CB 4.2Å; F180-L338 HydrophobicContact CZ-CD1 4.09Å; F180-F341 HydrophobicContact CD1-CB 4.43Å; F180-F341 HydrophobicContact CE1-CB 4.26Å
181I97.5Very high97.1Very high83 Ų8346.9 Ų46.943%0.42622%0.22SC..Hα-helixtrans-62-46.8177.4-62.4171.5000110K178 A179 N185K178-I181 WeakPolarHBondContact O-CB 3.48Å; K178-I181 PolarHBondContact O-N 3.02Å; A179-I181 PolarHBondContact O-N 3.46Å; A179-I181 VanDerWaalsContact O-N 3.17Å; I181-N185 WeakPolarHBondContact O-CB 3.36Å; I181-N185 PolarHBondContact O-N 3.14Å; I181-N185 PolarHBondContact O-ND2 3.49Å
182Q95.5Very high96.6Very high111 Ų11146 Ų4652%0.51924%0.239SC..Hα-helixtrans-67.7-46.5178.6-63.9-173.30.700110.9F146 A179 R184 N185 A186F146-Q182 HydrophobicContact CD1-CB 3.91Å; F146-Q182 HydrophobicContact CE1-CB 4.36Å; A179-Q182 PolarHBondContact O-N 2.99Å; A179-Q182 VanDerWaalsContact O-N 3.13Å; Q182-R184 VanDerWaalsContact C-N 3.33Å; Q182-R184 PolarHBondContact O-N 3.43Å; Q182-N185 PolarHBondContact O-N 3.09Å; Q182-A186 PolarHBondContact O-N 2.83Å
183F96.6Very high96.3Very high2 Ų249.1 Ų49.11%0.00925%0.252CS..Hα-helixtrans-56.9-44.4177.3-178.3-144.7000112.5C143 F146 F147 I150 A179 F180 A186 T271 I272 F341C143-F183 HydrophobicContact CB-CD2 4.42Å; C143-F183 HydrophobicContact CB-CE2 3.97Å; C143-F183 WeakPolarHBondContact O-CD2 3.48Å; C143-F183 WeakPolarHBondContact O-CE2 3.39Å; F146-F183 HydrophobicContact CB-CB 4.25Å; F146-F183 HydrophobicContact CB-CD2 4.32Å; F147-F183 HydrophobicContact CB-CD2 4.28Å; F147-F183 HydrophobicContact CB-CE1 4.47Å; F147-F183 HydrophobicContact CB-CE2 4.09Å; F147-F183 HydrophobicContact CB-CZ 4.2Å; F147-F183 HydrophobicContact CD2-CD1 4.09Å; F147-F183 AromaticContact CD2-CE1 3.72Å; F147-F183 HydrophobicContact CD2-CE1 3.72Å; F147-F183 HydrophobicContact CD2-CZ 4.09Å; I150-F183 HydrophobicContact CD1-CB 4.19Å; I150-F183 HydrophobicContact CD1-CD1 3.9Å; I150-F183 HydrophobicContact CD1-CG 4.37Å; A179-F183 PolarHBondContact O-N 3.41Å; A179-F183 VanDerWaalsContact O-N 3.12Å; F180-F183 AromaticContact CD1-CD1 3.92Å; F180-F183 HydrophobicContact CD1-CD1 3.92Å; F180-F183 AromaticContact CE1-CD1 3.85Å; F180-F183 HydrophobicContact CE1-CD1 3.85Å; F180-F183 HydrophobicContact CE1-CE1 4.2Å; F183-A186 WeakPolarHBondContact O-CB 2.95Å; F183-A186 PolarHBondContact O-N 3.46Å; F183-T271 HydrophobicContact CZ-CG2 4.39Å; F183-I272 HydrophobicContact CE1-CD1 3.93Å; F183-I272 HydrophobicContact CZ-CD1 4.3Å; F183-F341 AromaticContact CD1-CD2 3.75Å; F183-F341 HydrophobicContact CD1-CD2 3.75Å; F183-F341 AromaticContact CD1-CE2 3.66Å; F183-F341 HydrophobicContact CD1-CE2 3.66Å; F183-F341 HydrophobicContact CD1-CZ 4.41Å; F183-F341 AromaticContact CD2-CE2 3.75Å; F183-F341 HydrophobicContact CD2-CE2 3.75Å; F183-F341 HydrophobicContact CD2-CZ 4.42Å; F183-F341 AromaticContact CE1-CD2 3.8Å; F183-F341 HydrophobicContact CE1-CD2 3.8Å; F183-F341 HydrophobicContact CE1-CE1 4.33Å; F183-F341 AromaticContact CE1-CE2 3.47Å; F183-F341 HydrophobicContact CE1-CE2 3.47Å; F183-F341 VanDerWaalsContact CE1-CE2 3.47Å; F183-F341 HydrophobicContact CE1-CG 4.35Å; F183-F341 AromaticContact CE1-CZ 3.76Å; F183-F341 HydrophobicContact CE1-CZ 3.76Å; F183-F341 AromaticContact CE2-CE2 3.56Å; F183-F341 HydrophobicContact CE2-CE2 3.56Å; F183-F341 AromaticContact CE2-CZ 3.76Å; F183-F341 HydrophobicContact CE2-CZ 3.76Å; F183-F341 HydrophobicContact CG-CD2 4.13Å; F183-F341 AromaticContact CG-CE2 3.8Å; F183-F341 HydrophobicContact CG-CE2 3.8Å; F183-F341 HydrophobicContact CZ-CD2 4.22Å; F183-F341 HydrophobicContact CZ-CE1 4.19Å; F183-F341 AromaticContact CZ-CE2 3.42Å; F183-F341 HydrophobicContact CZ-CE2 3.42Å; F183-F341 VanDerWaalsContact CZ-CE2 3.42Å; F183-F341 AromaticContact CZ-CZ 3.39Å; F183-F341 HydrophobicContact CZ-CZ 3.39Å
184R97.3Very high96.2Very high73 Ų7349.6 Ų49.628%0.27526%0.255SS..Hα-helixtrans-67.8-37.6174.5-177.3-176.864.7173.7-5.4112.6F180 Q182 A186 L187 F341 A344F180-R184 VanDerWaalsContact O-CB 3.23Å; F180-R184 WeakPolarHBondContact O-CB 3.45Å; F180-R184 PolarHBondContact O-N 3.26Å; Q182-R184 VanDerWaalsContact C-N 3.33Å; Q182-R184 PolarHBondContact O-N 3.43Å; R184-A186 VanDerWaalsContact C-N 3.26Å; R184-A186 PolarHBondContact O-N 3.36Å; R184-L187 WeakPolarHBondContact O-CB 3.43Å; R184-L187 PolarHBondContact O-N 3.43Å; R184-F341 HydrophobicContact CB-CD2 4.18Å; R184-A344 HydrophobicContact CG-CB 4.15Å
185N95.8Very high96.1Very high60 Ų6051.3 Ų51.332%0.32127%0.266SS..Hα-helixtrans-66.6-29.7178.7-76.9-21000112I181 Q182 L187 K188I181-N185 WeakPolarHBondContact O-CB 3.36Å; I181-N185 PolarHBondContact O-N 3.14Å; I181-N185 PolarHBondContact O-ND2 3.49Å; Q182-N185 PolarHBondContact O-N 3.09Å; N185-L187 PolarHBondContact O-N 3.49Å; N185-K188 VanDerWaalsContact O-CB 3.24Å; N185-K188 WeakPolarHBondContact O-CB 3.41Å; N185-K188 PolarHBondContact O-N 3.43Å; N185-K188 WeakPolarHBondContact OD1-CE 3.41Å; N185-K188 PolarHBondContact OD1-NZ 3.17Å
186A94.9Very high95.9Very high2 Ų250.4 Ų50.42%0.01726%0.262CS..Hα-helixtrans-57.7-36.4174.300000112.6F146 Q182 F183 R184 K188 N189F146-A186 HydrophobicContact CD2-CB 3.52Å; F146-A186 HydrophobicContact CE2-CB 4Å; F146-A186 HydrophobicContact CG-CB 4.39Å; Q182-A186 PolarHBondContact O-N 2.83Å; F183-A186 WeakPolarHBondContact O-CB 2.95Å; F183-A186 PolarHBondContact O-N 3.46Å; R184-A186 VanDerWaalsContact C-N 3.26Å; R184-A186 PolarHBondContact O-N 3.36Å; A186-K188 PolarHBondContact O-N 3.22Å; A186-K188 VanDerWaalsContact O-N 3.16Å; A186-N189 VanDerWaalsContact O-CB 3.31Å; A186-N189 WeakPolarHBondContact O-CB 3.44Å; A186-N189 PolarHBondContact O-N 3.17Å
187L96.4Very high95.7Very high11 Ų1155.6 Ų55.66%0.05829%0.286CS..G310 helixtrans-59.5-27.6173.7-66.2-177.8000112.9R184 N185 N189 F190 F341 A344 H345 L348R184-L187 WeakPolarHBondContact O-CB 3.43Å; R184-L187 PolarHBondContact O-N 3.43Å; N185-L187 PolarHBondContact O-N 3.49Å; L187-N189 VanDerWaalsContact C-N 3.25Å; L187-N189 PolarHBondContact O-N 3.05Å; L187-F190 WeakPolarHBondContact O-CD2 3.34Å; L187-F190 PolarHBondContact O-N 2.99Å; L187-F341 HydrophobicContact CD1-CD1 4.37Å; L187-F341 HydrophobicContact CD1-CD2 3.88Å; L187-F341 HydrophobicContact CD1-CE1 4.08Å; L187-F341 HydrophobicContact CD1-CE2 3.56Å; L187-F341 HydrophobicContact CD1-CG 4.27Å; L187-F341 HydrophobicContact CD1-CZ 3.68Å; L187-F341 HydrophobicContact CD2-CE2 4.25Å; L187-F341 HydrophobicContact CD2-CZ 4Å; L187-F341 HydrophobicContact CG-CD2 4.46Å; L187-F341 HydrophobicContact CG-CE2 3.78Å; L187-F341 HydrophobicContact CG-CZ 4Å; L187-A344 HydrophobicContact CD1-CB 3.95Å; L187-H345 HydrophobicContact CD1-CB 4.29Å; L187-L348 HydrophobicContact CB-CD1 3.82Å; L187-L348 HydrophobicContact CD1-CD1 4.45Å; L187-L348 HydrophobicContact CD2-CD1 3.77Å; L187-L348 HydrophobicContact CG-CD1 4.22Å
188K94.9Very high95.6Very high119 Ų11956.3 Ų56.352%0.51729%0.288SS..G310 helixtrans-70.2-25.3178.7-60.1175177.9166.50112.1N185 A186 F190 Y191N185-K188 VanDerWaalsContact O-CB 3.24Å; N185-K188 WeakPolarHBondContact O-CB 3.41Å; N185-K188 PolarHBondContact O-N 3.43Å; N185-K188 WeakPolarHBondContact OD1-CE 3.41Å; N185-K188 PolarHBondContact OD1-NZ 3.17Å; A186-K188 PolarHBondContact O-N 3.22Å; A186-K188 VanDerWaalsContact O-N 3.16Å; K188-F190 PolarHBondContact O-N 2.73Å; K188-Y191 HydrophobicContact CB-CD2 4.48Å; K188-Y191 WeakPolarHBondContact O-CD2 3.48Å; K188-Y191 PolarHBondContact O-N 3.15Å; K188-Y191 VanDerWaalsContact O-N 3.1Å
189N92.7Very high95.5Very high52 Ų5251.4 Ų51.428%0.27827%0.267SS..G310 helixtrans-64.1-22.5-179.8-67.3-16.2000112.3L139 E142 A186 L187 Y191 K193L139-N189 HydrophobicContact CD1-CB 4.35Å; L139-N189 WeakPolarHBondContact CD1-O 3.46Å; L139-N189 HydrophobicContact CD2-CB 3.7Å; E142-N189 PolarHBondContact OE2-ND2 2.68Å; A186-N189 VanDerWaalsContact O-CB 3.31Å; A186-N189 WeakPolarHBondContact O-CB 3.44Å; A186-N189 PolarHBondContact O-N 3.17Å; L187-N189 VanDerWaalsContact C-N 3.25Å; L187-N189 PolarHBondContact O-N 3.05Å; N189-Y191 VanDerWaalsContact C-N 3.27Å; N189-Y191 PolarHBondContact O-N 3.15Å; N189-K193 WeakPolarHBondContact O-CB 3.4Å; N189-K193 VanDerWaalsContact O-CD 3.29Å; N189-K193 WeakPolarHBondContact O-CD 3.41Å; N189-K193 VanDerWaalsContact O-CG 3.31Å; N189-K193 WeakPolarHBondContact O-CG 3.5Å
190F95.9Very high95.3Very high14 Ų1450.9 Ų50.96%0.06126%0.262CS..Hα-helixtrans-63.7-34.6175.4-75.1-97.1000112.1F136 L139 L187 K188 G192 K193 L194 L348 F352F136-F190 HydrophobicContact CD2-CE1 4.04Å; L139-F190 HydrophobicContact CB-CD1 4.32Å; L139-F190 HydrophobicContact CB-CD2 4.03Å; L139-F190 HydrophobicContact CB-CE1 3.9Å; L139-F190 HydrophobicContact CB-CE2 3.58Å; L139-F190 HydrophobicContact CB-CG 4.39Å; L139-F190 HydrophobicContact CB-CZ 3.52Å; L139-F190 HydrophobicContact CD1-CB 4.49Å; L139-F190 HydrophobicContact CD1-CD1 4.16Å; L139-F190 HydrophobicContact CD1-CD2 4.32Å; L139-F190 HydrophobicContact CD1-CG 4.08Å; L187-F190 WeakPolarHBondContact O-CD2 3.34Å; L187-F190 PolarHBondContact O-N 2.99Å; K188-F190 PolarHBondContact O-N 2.73Å; F190-G192 PolarHBondContact O-N 3.36Å; F190-K193 PolarHBondContact O-N 2.58Å; F190-L194 HydrophobicContact CD1-CB 4.46Å; F190-L194 HydrophobicContact CD1-CD2 3.88Å; F190-L194 HydrophobicContact CE1-CD2 4.44Å; F190-L194 PolarHBondContact O-N 2.93Å; F190-L194 VanDerWaalsContact O-N 3.08Å; F190-L348 HydrophobicContact CB-CD2 3.72Å; F190-L348 HydrophobicContact CD2-CD1 4.39Å; F190-L348 HydrophobicContact CG-CD2 4.42Å; F190-F352 HydrophobicContact CB-CE2 4.13Å; F190-F352 HydrophobicContact CB-CZ 4.22Å
191Y94.6Very high95.1Very high94 Ų9451.8 Ų51.837%0.36927%0.268SS..Hα-helixtrans-65.9126.5176.5-58.8-74.4000110K188 N189 K193 S347 L348 R351 F352K188-Y191 HydrophobicContact CB-CD2 4.48Å; K188-Y191 WeakPolarHBondContact O-CD2 3.48Å; K188-Y191 PolarHBondContact O-N 3.15Å; K188-Y191 VanDerWaalsContact O-N 3.1Å; N189-Y191 VanDerWaalsContact C-N 3.27Å; N189-Y191 PolarHBondContact O-N 3.15Å; Y191-K193 PolarHBondContact O-N 3.28Å; Y191-S347 VanDerWaalsContact OH-C 3.32Å; Y191-L348 HydrophobicContact CD1-CD2 4.44Å; Y191-L348 HydrophobicContact CD2-CD2 4.27Å; Y191-L348 HydrophobicContact CE1-CD2 3.9Å; Y191-L348 HydrophobicContact CE2-CD2 3.68Å; Y191-L348 HydrophobicContact CE2-CG 4.37Å; Y191-L348 VanDerWaalsContact CZ-CD2 3.47Å; Y191-L348 PolarHBondContact OH-N 3.49Å; Y191-R351 HydrophobicContact CD1-CG 4.06Å; Y191-R351 HydrophobicContact CE1-CB 3.91Å; Y191-R351 HydrophobicContact CE1-CG 3.9Å; Y191-F352 HydrophobicContact CD1-CE2 4.44Å
192G89.5Confident95Very high87 Ų8749.3 Ų49.390%0.89726%0.256SS*.Hα-helixtrans82.4-20179.200000115.1F190F190-G192 PolarHBondContact O-N 3.36Å
193K93Very high95Very high70 Ų7044 Ų4430%0.30423%0.231SC..Hα-helixtrans-99.8-33.4177.5-61.4-175.6178.21770113.8T117 L118 A135 L139 N189 F190 Y191T117-K193 WeakPolarHBondContact O-CE 3.49Å; L118-K193 HydrophobicContact CD2-CB 4.14Å; L118-K193 HydrophobicContact CD2-CG 4.39Å; L118-K193 WeakPolarHBondContact O-CD 3.1Å; L118-K193 WeakPolarHBondContact O-CE 3.17Å; L118-K193 PolarHBondContact O-NZ 2.79Å; A135-K193 WeakPolarHBondContact CB-O 3.45Å; L139-K193 HydrophobicContact CD1-CB 4.04Å; L139-K193 HydrophobicContact CD1-CD 4.32Å; L139-K193 HydrophobicContact CD2-CD 4.32Å; N189-K193 WeakPolarHBondContact O-CB 3.4Å; N189-K193 VanDerWaalsContact O-CD 3.29Å; N189-K193 WeakPolarHBondContact O-CD 3.41Å; N189-K193 VanDerWaalsContact O-CG 3.31Å; N189-K193 WeakPolarHBondContact O-CG 3.5Å; F190-K193 PolarHBondContact O-N 2.58Å; Y191-K193 PolarHBondContact O-N 3.28Å
194L95.7Very high94.9Very high10 Ų1044.4 Ų44.45%0.05223%0.232CC..SBendtrans-98.4128.6174.7-179.761.9000110S132 A135 F136 F190 S196 F199 F352S132-L194 WeakPolarHBondContact O-CD1 3.24Å; A135-L194 HydrophobicContact CB-CB 4.39Å; A135-L194 HydrophobicContact CB-CD1 4.41Å; F136-L194 HydrophobicContact CB-CD1 4.05Å; F136-L194 HydrophobicContact CB-CD2 4.42Å; F136-L194 HydrophobicContact CD2-CD2 3.98Å; F190-L194 HydrophobicContact CD1-CB 4.46Å; F190-L194 HydrophobicContact CD1-CD2 3.88Å; F190-L194 HydrophobicContact CE1-CD2 4.44Å; F190-L194 PolarHBondContact O-N 2.93Å; F190-L194 VanDerWaalsContact O-N 3.08Å; L194-S196 PolarHBondContact O-N 3.48Å; L194-F199 HydrophobicContact CD1-CB 4.32Å; L194-F199 HydrophobicContact CD2-CB 4.25Å; L194-F199 HydrophobicContact CD2-CD2 4.19Å; L194-F199 HydrophobicContact CD2-CG 4.23Å; L194-F199 HydrophobicContact CG-CB 4.29Å; L194-F352 HydrophobicContact CB-CE1 3.66Å; L194-F352 HydrophobicContact CB-CZ 3.98Å; L194-F352 HydrophobicContact CD2-CD1 3.73Å; L194-F352 HydrophobicContact CD2-CE1 3.55Å; L194-F352 HydrophobicContact CD2-CZ 4.19Å; L194-F352 HydrophobicContact CG-CD1 4.05Å; L194-F352 HydrophobicContact CG-CE1 3.51Å; L194-F352 HydrophobicContact CG-CZ 4.27Å; L194-F352 WeakPolarHBondContact O-CE1 3.44Å
195N95.9Very high94.8Very high86 Ų8641.2 Ų41.246%0.4622%0.221SC..  trans-75.3119.3172.5-176.9-51.4000109.1S132 E197 E198 F199S132-N195 WeakPolarHBondContact OG-CB 3.24Å; N195-E197 PolarHBondContact O-N 3.27Å; N195-E197 PolarHBondContact OD1-N 3.48Å; N195-E198 HydrophobicContact CB-CB 4Å; N195-E198 PolarHBondContact OD1-N 3.42Å; N195-F199 WeakPolarHBondContact O-CB 3.13Å; N195-F199 PolarHBondContact O-N 3.12Å
196S95.7Very high94.8Very high18 Ų1839 Ų3913%0.12621%0.209CC..Hα-helixtrans-68.6-33.8-175.653.10000113.8L194 Y200L194-S196 PolarHBondContact O-N 3.48Å; S196-Y200 VanDerWaalsContact O-CB 3.26Å; S196-Y200 WeakPolarHBondContact O-CB 3.24Å; S196-Y200 PolarHBondContact O-N 3.04Å
197E95.4Very high94.8Very high110 Ų11039.4 Ų39.451%0.51421%0.211SC..Hα-helixtrans-74.7-47.6179-169.5176.1152.200110.9N195 F199 Y200 V201 A360N195-E197 PolarHBondContact O-N 3.27Å; N195-E197 PolarHBondContact OD1-N 3.48Å; E197-F199 VanDerWaalsContact C-N 3.3Å; E197-F199 PolarHBondContact O-N 3.34Å; E197-Y200 PolarHBondContact O-N 2.95Å; E197-Y200 VanDerWaalsContact O-N 3.12Å; E197-V201 HydrophobicContact CG-CG2 4.12Å; E197-V201 WeakPolarHBondContact O-CB 3.27Å; E197-V201 WeakPolarHBondContact O-CG2 3.2Å; E197-V201 PolarHBondContact O-N 3.39Å; E197-A360 HydrophobicContact CG-CB 4.28Å
198E96Very high94.7Very high40 Ų4038.9 Ų38.919%0.18721%0.208CC..Hα-helixtrans-60.8-41175.9-169.5177.2-137.400110.6H130 R131 S132 N195 D202 L203H130-E198 WeakPolarHBondContact CA-OE1 3.28Å; H130-E198 HydrophobicContact CB-CG 4.08Å; H130-E198 VanDerWaalsContact CB-OE1 3.31Å; H130-E198 WeakPolarHBondContact CB-OE1 3.08Å; H130-E198 IonicContact CG-OE1 3.57Å; H130-E198 IonicContact ND1-OE1 3.13Å; H130-E198 PolarHBondContact ND1-OE1 3.28Å; R131-E198 PolarHBondContact N-OE1 3.13Å; S132-E198 WeakPolarHBondContact CB-OE2 3.44Å; S132-E198 PolarHBondContact N-OE2 2.95Å; S132-E198 PolarHBondContact OG-OE2 3.05Å; N195-E198 HydrophobicContact CB-CB 4Å; N195-E198 PolarHBondContact OD1-N 3.42Å; E198-D202 HydrophobicContact CG-CB 4.22Å; E198-D202 WeakPolarHBondContact O-CA 3.48Å; E198-D202 VanDerWaalsContact O-CB 3.27Å; E198-D202 WeakPolarHBondContact O-CB 3.41Å; E198-D202 PolarHBondContact O-N 3.3Å; E198-L203 HydrophobicContact CG-CD1 4.07Å; E198-L203 WeakPolarHBondContact O-CD1 3.29Å; E198-L203 PolarHBondContact O-N 2.77Å
199F96.1Very high94.7Very high22 Ų2233.2 Ų33.210%0.09618%0.184CC..Iπ-helixtrans-57.9-52.1172.6173.4-100.4000111.6F136 L194 N195 E197 L203 R204 F352 I353F136-F199 HydrophobicContact CD1-CE2 4.46Å; F136-F199 HydrophobicContact CD2-CD2 4.1Å; F136-F199 AromaticContact CD2-CE2 3.82Å; F136-F199 HydrophobicContact CD2-CE2 3.82Å; F136-F199 HydrophobicContact CE1-CE2 4.19Å; F136-F199 HydrophobicContact CE2-CD2 4.28Å; F136-F199 AromaticContact CE2-CE2 3.54Å; F136-F199 HydrophobicContact CE2-CE2 3.54Å; F136-F199 HydrophobicContact CE2-CZ 4.2Å; F136-F199 HydrophobicContact CG-CD2 4.38Å; F136-F199 HydrophobicContact CG-CE2 4.29Å; F136-F199 AromaticContact CZ-CE2 3.74Å; F136-F199 HydrophobicContact CZ-CE2 3.74Å; F136-F199 HydrophobicContact CZ-CZ 4.42Å; L194-F199 HydrophobicContact CD1-CB 4.32Å; L194-F199 HydrophobicContact CD2-CB 4.25Å; L194-F199 HydrophobicContact CD2-CD2 4.19Å; L194-F199 HydrophobicContact CD2-CG 4.23Å; L194-F199 HydrophobicContact CG-CB 4.29Å; N195-F199 WeakPolarHBondContact O-CB 3.13Å; N195-F199 PolarHBondContact O-N 3.12Å; E197-F199 VanDerWaalsContact C-N 3.3Å; E197-F199 PolarHBondContact O-N 3.34Å; F199-L203 HydrophobicContact CD2-CB 4.13Å; F199-L203 HydrophobicContact CD2-CD2 4.01Å; F199-L203 WeakPolarHBondContact O-CB 3.47Å; F199-L203 PolarHBondContact O-N 2.87Å; F199-R204 HydrophobicContact CD1-CG 4.23Å; F199-R204 HydrophobicContact CE1-CG 3.81Å; F199-R204 HydrophobicContact CE2-CG 4.36Å; F199-R204 HydrophobicContact CZ-CG 3.88Å; F199-R204 WeakPolarHBondContact O-CG 3.23Å; F199-R204 PolarHBondContact O-N 3.35Å; F199-F352 HydrophobicContact CB-CD1 4.43Å; F199-F352 HydrophobicContact CD1-CB 3.89Å; F199-F352 HydrophobicContact CD1-CD1 4.32Å; F199-F352 WeakPolarHBondContact CD1-O 3.46Å; F199-F352 HydrophobicContact CE1-CB 4.08Å; F199-I353 HydrophobicContact CE1-CG1 4.23Å
200Y94.2Very high94.7Very high2 Ų230.8 Ų30.81%0.00817%0.171CC..Iπ-helixtrans-64.8-46.7-175.1177.7-97.2000113.1S196 E197 I353 P356 S357 A362 D368S196-Y200 VanDerWaalsContact O-CB 3.26Å; S196-Y200 WeakPolarHBondContact O-CB 3.24Å; S196-Y200 PolarHBondContact O-N 3.04Å; E197-Y200 PolarHBondContact O-N 2.95Å; E197-Y200 VanDerWaalsContact O-N 3.12Å; Y200-I353 HydrophobicContact CD2-CG2 4.46Å; Y200-I353 HydrophobicContact CE2-CG2 4.28Å; Y200-I353 WeakPolarHBondContact CE2-O 3.24Å; Y200-P356 HydrophobicContact CD1-CB 3.85Å; Y200-P356 HydrophobicContact CD2-CB 4.06Å; Y200-P356 HydrophobicContact CG-CB 3.58Å; Y200-P356 HydrophobicContact CG-CG 4.43Å; Y200-S357 WeakPolarHBondContact OH-CA 3.26Å; Y200-S357 WeakPolarHBondContact OH-CB 3.4Å; Y200-A362 HydrophobicContact CE1-CB 3.95Å; Y200-D368 WeakPolarHBondContact CE2-O 3.5Å; Y200-D368 WeakPolarHBondContact OH-CA 3.33Å; Y200-D368 PolarHBondContact OH-O 3.11Å; Y200-D368 PolarHBondContact OH-OD1 2.57Å
201V93.6Very high94.3Very high22 Ų2231.2 Ų31.213%0.13318%0.176CC..Iπ-helixtrans-83-44.2-172.9176.70000111.3E197 P205 A360 K363E197-V201 HydrophobicContact CG-CG2 4.12Å; E197-V201 WeakPolarHBondContact O-CB 3.27Å; E197-V201 WeakPolarHBondContact O-CG2 3.2Å; E197-V201 PolarHBondContact O-N 3.39Å; V201-P205 WeakPolarHBondContact O-CD 3.44Å; V201-P205 VanDerWaalsContact O-CG 3.24Å; V201-P205 WeakPolarHBondContact O-CG 3.34Å; V201-A360 HydrophobicContact CG2-CB 3.87Å; V201-K363 HydrophobicContact CG1-CD 4.16Å; V201-K363 HydrophobicContact CG1-CG 3.95Å; V201-K363 VanDerWaalsContact O-CD 3.31Å; V201-K363 WeakPolarHBondContact O-CD 3.36Å; V201-K363 WeakPolarHBondContact O-CG 3.43Å
202D94.8Very high94Very high31 Ų3127 Ų2717%0.16616%0.159CC..Iπ-helixtrans-106.5-38.7-165.1-60.3-60000114.3H130 E198 K363H130-D202 IonicContact CE1-OD1 2.95Å; H130-D202 IonicContact CE1-OD2 3.4Å; H130-D202 IonicContact ND1-OD2 3.67Å; H130-D202 WeakPolarHBondContact NE2-CB 3.5Å; H130-D202 IonicContact NE2-OD1 2.95Å; E198-D202 HydrophobicContact CG-CB 4.22Å; E198-D202 WeakPolarHBondContact O-CA 3.48Å; E198-D202 VanDerWaalsContact O-CB 3.27Å; E198-D202 WeakPolarHBondContact O-CB 3.41Å; E198-D202 PolarHBondContact O-N 3.3Å; D202-K363 WeakPolarHBondContact OD1-CE 3.26Å; D202-K363 IonicContact OD1-NZ 2.58Å; D202-K363 PolarHBondContact OD1-NZ 3.43Å
203L96.5Very high94Very high0 Ų023.4 Ų23.40%012%0.122CC..Iπ-helixtrans-81.8-48-177.6-80.158.4000111.3H130 W133 F136 E198 F199 P205 I206 L207H130-L203 HydrophobicContact CB-CD1 3.74Å; W133-L203 HydrophobicContact CD2-CD2 3.86Å; W133-L203 HydrophobicContact CD2-CG 3.74Å; W133-L203 HydrophobicContact CE3-CD2 3.77Å; W133-L203 HydrophobicContact CE3-CG 3.96Å; W133-L203 HydrophobicContact CG-CD2 4.4Å; W133-L203 HydrophobicContact CG-CG 4.39Å; W133-L203 HydrophobicContact CH2-CB 3.87Å; W133-L203 HydrophobicContact CH2-CD2 4.39Å; W133-L203 HydrophobicContact CH2-CG 3.84Å; W133-L203 HydrophobicContact CZ2-CB 3.97Å; W133-L203 HydrophobicContact CZ2-CG 3.65Å; W133-L203 HydrophobicContact CZ3-CB 4.27Å; W133-L203 HydrophobicContact CZ3-CD2 4.03Å; W133-L203 HydrophobicContact CZ3-CG 3.99Å; F136-L203 HydrophobicContact CB-CD2 4.19Å; E198-L203 HydrophobicContact CG-CD1 4.07Å; E198-L203 WeakPolarHBondContact O-CD1 3.29Å; E198-L203 PolarHBondContact O-N 2.77Å; F199-L203 HydrophobicContact CD2-CB 4.13Å; F199-L203 HydrophobicContact CD2-CD2 4.01Å; F199-L203 WeakPolarHBondContact O-CB 3.47Å; F199-L203 PolarHBondContact O-N 2.87Å; L203-P205 VanDerWaalsContact C-CD 3.48Å; L203-P205 VanDerWaalsContact C-N 3.35Å; L203-I206 WeakPolarHBondContact O-CB 3.07Å; L203-I206 PolarHBondContact O-N 3.22Å; L203-L207 PolarHBondContact O-N 3.34Å
204R94.5Very high93.8Very high9 Ų925.9 Ų25.93%0.03413%0.133CC..Hα-helixtrans-54.6-39.6-175.1-73.3-179.174-151.6-0.3114.5F199 I206 L207 C208 L367 K370F199-R204 HydrophobicContact CD1-CG 4.23Å; F199-R204 HydrophobicContact CE1-CG 3.81Å; F199-R204 HydrophobicContact CE2-CG 4.36Å; F199-R204 HydrophobicContact CZ-CG 3.88Å; F199-R204 WeakPolarHBondContact O-CG 3.23Å; F199-R204 PolarHBondContact O-N 3.35Å; R204-I206 VanDerWaalsContact C-N 3.29Å; R204-I206 PolarHBondContact O-N 2.88Å; R204-L207 CarbonylContact O-C 3.58Å; R204-L207 PolarHBondContact O-N 3.09Å; R204-C208 PolarHBondContact O-N 2.79Å; R204-L367 HydrophobicContact CB-CD1 4.16Å; R204-L367 PolarHBondContact NH1-O 3.15Å; R204-L367 PolarHBondContact NH2-O 3.41Å; R204-K370 PolarHBondContact NH2-O 2.86Å
205P94Very high93.7Very high7 Ų725.5 Ų25.55%0.04513%0.131CC..Hα-helixtrans-56-41.8173.6-28.536.9000113.4V201 L203 L207 C208 K363 I364V201-P205 WeakPolarHBondContact O-CD 3.44Å; V201-P205 VanDerWaalsContact O-CG 3.24Å; V201-P205 WeakPolarHBondContact O-CG 3.34Å; L203-P205 VanDerWaalsContact C-CD 3.48Å; L203-P205 VanDerWaalsContact C-N 3.35Å; P205-L207 PolarHBondContact O-N 3.31Å; P205-C208 PolarHBondContact O-N 3.02Å; P205-C208 PolarHBondContact O-SG 2.85Å; P205-K363 HydrophobicContact CG-CB 3.82Å; P205-I364 HydrophobicContact CB-CD1 3.74Å; P205-I364 HydrophobicContact CB-CG1 4.08Å; P205-I364 HydrophobicContact CG-CD1 4.46Å; P205-I364 HydrophobicContact CG-CG1 4.38Å
206I96.5Very high93.2Very high13 Ų1326 Ų267%0.06713%0.129CC..Hα-helixtrans-69.4-16.8177.8-53.3-59.3000111.8S60 V61 W64 L96 P127 T128 W133 L203 R204S60-I206 PolarHBondContact OG-O 2.83Å; V61-I206 HydrophobicContact CG2-CG2 4.26Å; W64-I206 HydrophobicContact CB-CD1 3.94Å; L96-I206 HydrophobicContact CD2-CG2 4.47Å; P127-I206 HydrophobicContact CB-CG2 3.89Å; T128-I206 HydrophobicContact CG2-CD1 4.15Å; T128-I206 HydrophobicContact CG2-CG1 3.95Å; W133-I206 HydrophobicContact CH2-CB 4.33Å; W133-I206 HydrophobicContact CH2-CG2 4.39Å; W133-I206 HydrophobicContact CZ2-CB 4.01Å; W133-I206 HydrophobicContact CZ2-CG1 4.4Å; W133-I206 HydrophobicContact CZ2-CG2 4.09Å; L203-I206 WeakPolarHBondContact O-CB 3.07Å; L203-I206 PolarHBondContact O-N 3.22Å; R204-I206 VanDerWaalsContact C-N 3.29Å; R204-I206 PolarHBondContact O-N 2.88Å
207L95.8Very high92.8Very high10 Ų1030.9 Ų30.95%0.05215%0.154CC..Hα-helixtrans-101.3-3.4-179.8-57178.4000113.5L96 L101 W133 F136 L203 R204 P205 G263 A264 T372L96-L207 HydrophobicContact CD2-CD2 3.77Å; L101-L207 HydrophobicContact CD1-CD2 4.49Å; L101-L207 HydrophobicContact CD2-CD1 4.39Å; L101-L207 HydrophobicContact CD2-CD2 3.61Å; W133-L207 HydrophobicContact CH2-CD1 4.12Å; W133-L207 HydrophobicContact CH2-CD2 3.6Å; W133-L207 HydrophobicContact CH2-CG 3.81Å; W133-L207 HydrophobicContact CZ3-CD1 4.16Å; W133-L207 HydrophobicContact CZ3-CD2 3.88Å; W133-L207 HydrophobicContact CZ3-CG 4.25Å; F136-L207 HydrophobicContact CD1-CD1 4.48Å; F136-L207 HydrophobicContact CE1-CD1 3.68Å; F136-L207 HydrophobicContact CZ-CD1 4.24Å; L203-L207 PolarHBondContact O-N 3.34Å; R204-L207 CarbonylContact O-C 3.58Å; R204-L207 PolarHBondContact O-N 3.09Å; P205-L207 PolarHBondContact O-N 3.31Å; L207-G263 CarbonylContact O-C 3.48Å; L207-G263 WeakPolarHBondContact O-CA 3.46Å; L207-A264 HydrophobicContact CD2-CB 4.13Å; L207-A264 PolarHBondContact O-N 3.31Å; L207-T372 WeakPolarHBondContact O-CG2 3.48Å
208C93.6Very high92.5Very high0 Ų031.6 Ų31.60%016%0.155CC..SBendtrans-80.5-24.1-163.678.90000114.5W64 R204 P205 H212 G263 I364 L367W64-C208 WeakPolarHBondContact CZ2-SG 3.43Å; W64-C208 PolarHBondContact NE1-SG 3.46Å; R204-C208 PolarHBondContact O-N 2.79Å; P205-C208 PolarHBondContact O-N 3.02Å; P205-C208 PolarHBondContact O-SG 2.85Å; C208-H212 PolarHBondContact O-CE1 3.2Å; C208-H212 PolarHBondContact O-ND1 2.78Å; C208-H212 VanDerWaalsContact O-ND1 3.12Å; C208-G263 PolarHBondContact O-N 3.14Å; C208-I364 HydrophobicContact CB-CD1 4.45Å; C208-I364 VanDerWaalsContact SG-CD1 3.54Å; C208-L367 HydrophobicContact CB-CD1 3.75Å; C208-L367 HydrophobicContact CB-CD2 3.92Å; C208-L367 HydrophobicContact CB-CG 4.28Å
209G94.4Very high92.3Very high1 Ų129.7 Ų29.71%0.0115%0.147CC..BIsolated β-bridgetrans67.5-160.2-174.500000114.8W64 I95 S211W64-G209 VanDerWaalsContact CZ2-O 3.31Å; W64-G209 WeakPolarHBondContact CZ2-O 3.31Å; I95-G209 VanDerWaalsContact CD1-CA 3.41Å; G209-S211 PolarHBondContact O-N 3.33Å
210W93.8Very high92.3Very high0 Ų028.7 Ų28.70%014%0.142CC..THydrogen-bonded Turntrans-98.328.8-162.4-38141000113.8C59 V63 W64 I95 L215 L220 Y222 C261C59-W210 WeakPolarHBondContact SG-CZ2 3.34Å; V63-W210 HydrophobicContact CB-CE3 4.48Å; V63-W210 HydrophobicContact CB-CH2 3.84Å; V63-W210 HydrophobicContact CB-CZ3 3.55Å; V63-W210 HydrophobicContact CG1-CE3 3.96Å; V63-W210 HydrophobicContact CG1-CH2 4.22Å; V63-W210 HydrophobicContact CG1-CZ3 3.43Å; V63-W210 VanDerWaalsContact CG1-CZ3 3.43Å; V63-W210 HydrophobicContact CG2-CH2 3.64Å; V63-W210 HydrophobicContact CG2-CZ2 4.4Å; V63-W210 HydrophobicContact CG2-CZ3 3.72Å; W64-W210 AromaticContact CD1-CZ3 3.92Å; W64-W210 AromaticContact NE1-CE3 3.94Å; W64-W210 AromaticContact NE1-CZ3 3.37Å; I95-W210 HydrophobicContact CD1-CD2 4.16Å; I95-W210 HydrophobicContact CD1-CG 4.38Å; I95-W210 HydrophobicContact CD1-CZ2 4.07Å; I95-W210 HydrophobicContact CG1-CZ2 3.97Å; W210-L215 HydrophobicContact CB-CD1 4.32Å; W210-L215 HydrophobicContact CD2-CD1 4.49Å; W210-L215 HydrophobicContact CE3-CD1 3.85Å; W210-L220 HydrophobicContact CB-CB 4.14Å; W210-L220 HydrophobicContact CD2-CB 4.08Å; W210-L220 HydrophobicContact CD2-CD2 3.96Å; W210-L220 HydrophobicContact CE3-CD2 4.43Å; W210-L220 HydrophobicContact CG-CB 3.74Å; W210-L220 HydrophobicContact CG-CD2 4.4Å; W210-L220 HydrophobicContact CH2-CD2 4.29Å; W210-L220 HydrophobicContact CZ2-CD2 3.84Å; W210-Y222 AromaticContact NE1-CZ 3.82Å; W210-Y222 PolarHBondContact NE1-OH 3.18Å; W210-C261 HydrophobicContact CG-CB 4.49Å; W210-C261 PolarHBondContact N-O 2.94Å
211S87.4Confident92.3Very high24 Ų2429.6 Ų29.617%0.16815%0.147CC..THydrogen-bonded Turntrans-115.517.2179.559.80000113.7G209G209-S211 PolarHBondContact O-N 3.33Å
212H88.5Confident92.4Very high5 Ų528.6 Ų28.62%0.02314%0.141CC..SBendtrans-133.2167.3-175.7-52.485.1000111.2W64 C208 L215 K216 I364 L367 T372W64-H212 HydrophobicContact CH2-CB 4.31Å; C208-H212 PolarHBondContact O-CE1 3.2Å; C208-H212 PolarHBondContact O-ND1 2.78Å; C208-H212 VanDerWaalsContact O-ND1 3.12Å; H212-L215 PolarHBondContact O-N 3.42Å; H212-K216 PolarHBondContact O-N 2.99Å; H212-I364 HydrophobicContact CB-CG2 3.71Å; H212-L367 WeakPolarHBondContact NE2-CD2 3.34Å; H212-T372 PolarHBondContact CE1-O 3.34Å
213G87.7Confident92.3Very high12 Ų1229.6 Ų29.612%0.12414%0.144CC..G310 helixtrans56.3-144.2-17700000113L215 K216G213-L215 PolarHBondContact O-N 3.27Å; G213-K216 VanDerWaalsContact O-CB 3.27Å; G213-K216 WeakPolarHBondContact O-CB 3.39Å; G213-K216 PolarHBondContact O-N 3.24Å
214K90.7Very high91.8Very high121 Ų12129.8 Ų29.853%0.52615%0.146SC..G310 helixtrans-62.2-24.2173.7-65.4170.9171.9177.60113G69 E71 K216G69-K214 WeakPolarHBondContact O-CE 3.21Å; G69-K214 PolarHBondContact O-NZ 2.91Å; E71-K214 HydrophobicContact CG-CB 4.32Å; E71-K214 WeakPolarHBondContact OE1-CA 3.35Å; E71-K214 WeakPolarHBondContact OE1-CB 3.17Å; E71-K214 WeakPolarHBondContact OE1-CG 3.32Å; E71-K214 PolarHBondContact OE1-N 2.86Å; K214-K216 VanDerWaalsContact C-N 3.3Å; K214-K216 PolarHBondContact O-N 2.88Å
215L91.6Very high91.1Very high3 Ų332.5 Ų32.52%0.01616%0.161CC..G310 helixtrans-78.8-13.2178.5-55.9179.5000112.8V63 W64 E71 E73 W210 H212 G213 D217 K218 G219 L220V63-L215 HydrophobicContact CG1-CD1 3.79Å; W64-L215 HydrophobicContact CZ2-CD1 4.43Å; E71-L215 HydrophobicContact CG-CD1 4.5Å; E71-L215 HydrophobicContact CG-CG 4.18Å; E73-L215 HydrophobicContact CG-CD2 4.44Å; W210-L215 HydrophobicContact CB-CD1 4.32Å; W210-L215 HydrophobicContact CD2-CD1 4.49Å; W210-L215 HydrophobicContact CE3-CD1 3.85Å; H212-L215 PolarHBondContact O-N 3.42Å; G213-L215 PolarHBondContact O-N 3.27Å; L215-D217 VanDerWaalsContact C-N 3.26Å; L215-D217 PolarHBondContact O-N 3.32Å; L215-K218 PolarHBondContact O-N 2.88Å; L215-G219 WeakPolarHBondContact O-CA 3.46Å; L215-G219 PolarHBondContact O-N 3.44Å; L215-L220 HydrophobicContact CD1-CB 4.47Å; L215-L220 HydrophobicContact CD1-CD1 4.26Å; L215-L220 HydrophobicContact CD2-CD1 4.38Å
216K87.4Confident89.6Confident97 Ų9736.7 Ų36.742%0.42219%0.19SC..THydrogen-bonded Turntrans-48-44.7-173178.5-171.2166.2-159.70113.7H212 G213 K214 K260H212-K216 PolarHBondContact O-N 2.99Å; G213-K216 VanDerWaalsContact O-CB 3.27Å; G213-K216 WeakPolarHBondContact O-CB 3.39Å; G213-K216 PolarHBondContact O-N 3.24Å; K214-K216 VanDerWaalsContact C-N 3.3Å; K214-K216 PolarHBondContact O-N 2.88Å; K216-K260 WeakPolarHBondContact O-CE 3.31Å; K216-K260 PolarHBondContact O-NZ 3.08Å
217D86.9Confident87.5Confident120 Ų12043.8 Ų43.864%0.64222%0.223SC*.THydrogen-bonded Turntrans-93.7-33.1-172.9-60.4-38.1000112.7L215L215-D217 VanDerWaalsContact C-N 3.26Å; L215-D217 PolarHBondContact O-N 3.32Å
218K88.6Confident85.1Confident124 Ų12451.7 Ų51.754%0.53926%0.26SS..THydrogen-bonded Turntrans-102.9-23.5-172.8-60.7179.3-176.3175.10114.1L215 R258L215-K218 PolarHBondContact O-N 2.88Å; K218-R258 WeakPolarHBondContact O-CD 3.22Å; K218-R258 WeakPolarHBondContact O-CG 3.1Å
219G92.8Very high82.5Confident1 Ų158 Ų581%0.0129%0.291CS..  trans70-173.3-167.400000112.9L215 R259L215-G219 WeakPolarHBondContact O-CA 3.46Å; L215-G219 PolarHBondContact O-N 3.44Å; G219-R259 CarbonylContact C-O 3.59Å; G219-R259 WeakPolarHBondContact CA-O 3.26Å
220L95.2Very high79.7Confident0 Ų065 Ų650%033%0.328CS..EExtended strand (participates in β ladder)trans-94142.5-177.9-174.370.3000110.9V63 T72 L75 W210 L215 Y222 R258 R259V63-L220 HydrophobicContact CG2-CD1 3.94Å; V63-L220 HydrophobicContact CG2-CD2 3.74Å; T72-L220 WeakPolarHBondContact O-CD1 3.46Å; L75-L220 HydrophobicContact CB-CD2 4.17Å; W210-L220 HydrophobicContact CB-CB 4.14Å; W210-L220 HydrophobicContact CD2-CB 4.08Å; W210-L220 HydrophobicContact CD2-CD2 3.96Å; W210-L220 HydrophobicContact CE3-CD2 4.43Å; W210-L220 HydrophobicContact CG-CB 3.74Å; W210-L220 HydrophobicContact CG-CD2 4.4Å; W210-L220 HydrophobicContact CH2-CD2 4.29Å; W210-L220 HydrophobicContact CZ2-CD2 3.84Å; L215-L220 HydrophobicContact CD1-CB 4.47Å; L215-L220 HydrophobicContact CD1-CD1 4.26Å; L215-L220 HydrophobicContact CD2-CD1 4.38Å; L220-Y222 HydrophobicContact CB-CE2 4.16Å; L220-Y222 HydrophobicContact CD2-CE2 3.99Å; L220-Y222 HydrophobicContact CG-CE2 4.28Å; L220-R258 WeakPolarHBondContact O-CA 3.32Å; L220-R259 PolarHBondContact N-O 3.48Å; L220-R259 PolarHBondContact O-N 3.37Å
221I94.8Very high77Confident22 Ų2271.7 Ų71.711%0.11336%0.364CS..EExtended strand (participates in β ladder)trans-87.2125.2171.3-56.7171.3000109.6E73 S74 L75 M256 R258E73-I221 WeakPolarHBondContact O-CB 3.27Å; E73-I221 WeakPolarHBondContact O-CG1 3.39Å; E73-I221 PolarHBondContact O-N 3.06Å; S74-I221 CarbonylContact C-O 3.57Å; S74-I221 VanDerWaalsContact CA-O 3.24Å; S74-I221 WeakPolarHBondContact CA-O 3.38Å; L75-I221 PolarHBondContact N-O 3.5Å; I221-M256 HydrophobicContact CG2-CB 3.77Å; I221-M256 HydrophobicContact CG2-CG 3.76Å; I221-M256 HydrophobicContact CG2-SD 3.99Å; I221-R258 VanDerWaalsContact CD1-NH2 3.25Å; I221-R258 VanDerWaalsContact CG1-CZ 3.44Å
222Y94.7Very high74.5Confident0 Ų077.4 Ų77.40%039%0.392CS..EExtended strand (participates in β ladder)trans-97.9113.2169.9-69.7-112000108L75 A80 L83 L84 P94 W210 L220 M256 D257 R259L75-Y222 HydrophobicContact CD2-CD1 3.86Å; L75-Y222 HydrophobicContact CD2-CE1 3.84Å; A80-Y222 HydrophobicContact CB-CD1 4.06Å; A80-Y222 HydrophobicContact CB-CG 4.4Å; L83-Y222 HydrophobicContact CD2-CE1 4.13Å; L84-Y222 HydrophobicContact CD1-CD1 4.26Å; L84-Y222 HydrophobicContact CD1-CG 4.32Å; L84-Y222 HydrophobicContact CD2-CD1 4.15Å; L84-Y222 HydrophobicContact CD2-CG 4.41Å; L84-Y222 HydrophobicContact CG-CD1 3.94Å; L84-Y222 HydrophobicContact CG-CG 4.39Å; P94-Y222 HydrophobicContact CB-CE1 3.98Å; P94-Y222 HydrophobicContact CG-CE1 4.22Å; P94-Y222 WeakPolarHBondContact O-CE1 3.32Å; P94-Y222 PolarHBondContact O-OH 3.15Å; W210-Y222 AromaticContact NE1-CZ 3.82Å; W210-Y222 PolarHBondContact NE1-OH 3.18Å; L220-Y222 HydrophobicContact CB-CE2 4.16Å; L220-Y222 HydrophobicContact CD2-CE2 3.99Å; L220-Y222 HydrophobicContact CG-CE2 4.28Å; Y222-M256 WeakPolarHBondContact O-CA 3.5Å; Y222-D257 WeakPolarHBondContact CB-O 3.31Å; Y222-D257 WeakPolarHBondContact CD2-O 3.32Å; Y222-D257 PolarHBondContact N-O 2.79Å; Y222-D257 PolarHBondContact O-N 2.99Å; Y222-R259 HydrophobicContact CD2-CB 4.25Å; Y222-R259 HydrophobicContact CD2-CG 4.29Å; Y222-R259 HydrophobicContact CE2-CB 3.88Å; Y222-R259 HydrophobicContact CE2-CG 4.29Å
223E93.8Very high72Confident52 Ų5283.9 Ų83.924%0.24343%0.428CS..EExtended strand (participates in β ladder)trans-73.6126.6178.4-64.7170-164.900110.1S74 L75 P76 V77 A80S74-E223 VanDerWaalsContact CB-OE1 3.24Å; S74-E223 WeakPolarHBondContact CB-OE1 3.11Å; S74-E223 PolarHBondContact OG-OE1 3.23Å; L75-E223 WeakPolarHBondContact O-CB 3.41Å; L75-E223 WeakPolarHBondContact O-CG 3.43Å; L75-E223 PolarHBondContact O-N 3.33Å; P76-E223 WeakPolarHBondContact CA-OE2 3.22Å; V77-E223 WeakPolarHBondContact CA-O 3.44Å; V77-E223 HydrophobicContact CB-CB 4.23Å; A80-E223 VanDerWaalsContact CB-O 3.3Å; A80-E223 WeakPolarHBondContact CB-O 3.46Å
224T85.9Confident69.4Low4 Ų491 Ų913%0.02546%0.463CS..  trans-109.6-22-175.560.40000112.9L84 Y252 D254 N255 M256 D257L84-T224 HydrophobicContact CD1-CG2 3.92Å; T224-Y252 HydrophobicContact CG2-CD1 3.86Å; T224-Y252 HydrophobicContact CG2-CG 4.02Å; T224-D254 PolarHBondContact OG1-O 3.01Å; T224-N255 PolarHBondContact N-O 2.91Å; T224-N255 WeakPolarHBondContact OG1-CA 3.43Å; T224-N255 PolarHBondContact OG1-O 2.93Å; T224-M256 PolarHBondContact OG1-N 2.62Å; T224-D257 HydrophobicContact CG2-CB 4.41Å
225N79.3Confident66.8Low67 Ų6791 Ų9136%0.35847%0.468SS..  trans-125142.4177.8-74-27.3000111.4N255N225-N255 HydrophobicContact CB-CB 4.41Å; N225-N255 PolarHBondContact ND2-OD1 3.37Å
226S61.8Low64.1Low94 Ų94100.7 Ų100.766%0.65751%0.51SS*.  trans-85-2179.937.50000114.3Q228S226-Q228 PolarHBondContact O-N 2.86Å; S226-Q228 VanDerWaalsContact O-N 3.13Å
227Q53.9Low61.8Low162 Ų162103.4 Ų103.476%0.75753%0.525SS*.SBendtrans-66.8115.7178.1-70.7-171.8-4.900109.6M229Q227-M229 PolarHBondContact O-N 3.47Å
228Q44.4Very low59.4Low177 Ų177105 Ų10583%0.82753%0.533SS*.  trans-45.7132.4-178.7-71.8178.4-700111.3S226 N230S226-Q228 PolarHBondContact O-N 2.86Å; S226-Q228 VanDerWaalsContact O-N 3.13Å; Q228-N230 PolarHBondContact O-N 3.43Å
229M38.9Very low57.3Low132 Ų132105.6 Ų105.665%0.6554%0.538SS*.  trans-53.198.7166-94.8-146.9-165.600109.2Q227 N231 M256Q227-M229 PolarHBondContact O-N 3.47Å; M229-N231 PolarHBondContact O-N 3.44Å; M229-N231 VanDerWaalsContact O-N 3.14Å; M229-M256 HydrophobicContact CE-CE 3.47Å; M229-M256 VanDerWaalsContact CE-CE 3.47Å; M229-M256 HydrophobicContact CE-SD 4.24Å; M229-M256 HydrophobicContact CG-CE 4.11Å
230N36.3Very low55.1Low149 Ų149114.6 Ų114.680%0.79758%0.577SS**  trans-71.4103.2155.3-89-18.4000106.4Q228 N232Q228-N230 PolarHBondContact O-N 3.43Å; N230-N232 PolarHBondContact O-N 3.01Å
231N37.3Very low52.8Low140 Ų140117.3 Ų117.375%0.74959%0.593SS**THydrogen-bonded Turntrans-6432.8-174.5-103.2-10.5000115.7M229M229-N231 PolarHBondContact O-N 3.44Å; M229-N231 VanDerWaalsContact O-N 3.14Å
232N34.2Very low50.8Low143 Ų143120.2 Ų120.277%0.76561%0.605SS**THydrogen-bonded Turntrans-119.710.3-171-86.9-1.8000116.8N230N230-N232 PolarHBondContact O-N 3.01Å
233N35.3Very low48.5Very low142 Ų142124.3 Ų124.376%0.75963%0.634SS**  trans-109.694.6174.5-74.2-10.6000111.5N235N233-N235 PolarHBondContact O-N 3.48Å
234N34.4Very low46.5Very low161 Ų161124 Ų12486%0.86164%0.637SS**  trans-67.337.9168.5-80.3-35.8000113.4K236N234-K236 PolarHBondContact O-N 2.92Å; N234-K236 VanDerWaalsContact O-N 3.09Å
235N36.3Very low44.6Very low120 Ų120128.6 Ų128.664%0.64267%0.668SS**  trans-85.786.1174.5-74.73.1000108.7N233 E237N233-N235 PolarHBondContact O-N 3.48Å; N235-E237 PolarHBondContact O-N 2.7Å
236K35.1Very low43.3Very low207 Ų207126 Ų12690%0.966%0.655SS**  trans-68.357.6161-70.5-176.6177.4175.80109.9N234 N238N234-K236 PolarHBondContact O-N 2.92Å; N234-K236 VanDerWaalsContact O-N 3.09Å; K236-N238 PolarHBondContact O-N 2.72Å
237E37.1Very low43Very low155 Ų155124.9 Ų124.972%0.72464%0.639SS**  trans-88.498.4171.1-78.5-171.4158.500108.6N235 E239N235-E237 PolarHBondContact O-N 2.7Å; E237-E239 VanDerWaalsContact C-N 3.35Å; E237-E239 PolarHBondContact O-N 3.48Å
238N36.8Very low42.7Very low154 Ų154119 Ų11982%0.82462%0.615SS**  trans19.966.3155.3-67.3-31.4000115.7K236 K240K236-N238 PolarHBondContact O-N 2.72Å; N238-K240 VanDerWaalsContact C-N 3.34Å; N238-K240 PolarHBondContact O-N 3.26Å
239E45.7Very low42.8Very low136 Ų136114.1 Ų114.164%0.63661%0.612SS**  trans-6096.5171.9-77.8-176.3-166.200108.4E237 V241 R258E237-E239 VanDerWaalsContact C-N 3.35Å; E237-E239 PolarHBondContact O-N 3.48Å; E239-V241 PolarHBondContact O-N 3.13Å; E239-R258 IonicContact OE2-CZ 2.84Å; E239-R258 IonicContact OE2-NE 3.58Å; E239-R258 PolarHBondContact OE2-NE 3.02Å; E239-R258 IonicContact OE2-NH2 3.43Å; E239-R258 PolarHBondContact OE2-NH2 2.97Å
240K45.2Very low43.3Very low190 Ų190113.4 Ų113.483%0.82661%0.607SS**  trans-68.5105.7174.1-79.2-178.7178.8175.30107.5N238 K242N238-K240 VanDerWaalsContact C-N 3.34Å; N238-K240 PolarHBondContact O-N 3.26Å; K240-K242 PolarHBondContact O-N 2.84Å
241V48Very low44Very low56 Ų56113.1 Ų113.134%0.33961%0.605SS.*  trans-50.6114.3165.4177.70000107E239 S243 K260E239-V241 PolarHBondContact O-N 3.13Å; V241-S243 PolarHBondContact O-N 3.06Å; V241-K260 HydrophobicContact CG1-CB 4.37Å
242K52.8Low45Very low83 Ų83108.9 Ų108.936%0.36158%0.579SS.*BIsolated β-bridgetrans-7189.2175.2-73.1-177.2-173.1170.70106.9K240 S244K240-K242 PolarHBondContact O-N 2.84Å; K242-S244 PolarHBondContact O-N 3.28Å
243S47Very low45.7Very low87 Ų87107.4 Ų107.461%0.60858%0.576SS**  trans-61.9106.5172.5164.50000108.3V241 C245V241-S243 PolarHBondContact O-N 3.06Å; S243-C245 PolarHBondContact O-N 3.18Å
244S51.4Low47.1Very low46 Ų46105.4 Ų105.432%0.32257%0.565SS.*SBendtrans57.1-2.1155.961.10000119.4Q93 K242 P246Q93-S244 PolarHBondContact NE2-O 2.96Å; K242-S244 PolarHBondContact O-N 3.28Å; S244-P246 WeakPolarHBondContact O-CD 3.18Å; S244-P246 WeakPolarHBondContact O-CG 3.34Å
245C45.6Very low49.1Very low100 Ų100101.7 Ų101.768%0.67655%0.545SS*.  trans-77.8107.7-179.8-144.10000109.1S243 F247S243-C245 PolarHBondContact O-N 3.18Å; C245-F247 PolarHBondContact O-N 2.94Å
246P51.8Low51.3Low11 Ų1199.4 Ų99.47%0.07153%0.531CS..  trans-86-9.7-157.80.817000113.7Q93 S244 T296Q93-P246 HydrophobicContact CG-CB 4.42Å; S244-P246 WeakPolarHBondContact O-CD 3.18Å; S244-P246 WeakPolarHBondContact O-CG 3.34Å; P246-T296 HydrophobicContact CG-CG2 4.04Å
247F55Low53.7Low72 Ų7289.7 Ų89.732%0.31649%0.49SS..  trans-135.380.9-170.3-39.7-63.6000107.7G91 C245 G249G91-F247 WeakPolarHBondContact O-CE1 3.3Å; G91-F247 WeakPolarHBondContact O-CZ 3.34Å; C245-F247 PolarHBondContact O-N 2.94Å; F247-G249 PolarHBondContact O-N 3.18Å
248S48.7Very low56.2Low39 Ų3984.2 Ų84.227%0.27346%0.462SS..  trans-67.2-27.4169.958.70000109.7Q250S248-Q250 WeakPolarHBondContact O-CG 3.18Å; S248-Q250 PolarHBondContact O-N 3.08Å; S248-Q250 PolarHBondContact OG-N 2.85Å
249G47Very low58.8Low73 Ų7377.5 Ų77.575%0.75343%0.425SS*.  trans52.211.4-16800000112.1F247F247-G249 PolarHBondContact O-N 3.18Å
250Q48.3Very low60.9Low117 Ų11775 Ų7555%0.54741%0.412SS..  trans-88137.3-171.3-83.1167.5-10.600106.6S248 Y252S248-Q250 WeakPolarHBondContact O-CG 3.18Å; S248-Q250 PolarHBondContact O-N 3.08Å; S248-Q250 PolarHBondContact OG-N 2.85Å; Q250-Y252 PolarHBondContact O-N 3.28Å; Q250-Y252 VanDerWaalsContact O-N 3.15Å
251N51.5Low63.2Low143 Ų14366.1 Ų66.177%0.76537%0.374SS*.  trans-50.4124.7156.5-69.7-28.2000107.1T253N251-T253 HydrophobicContact CB-CG2 4.33Å; N251-T253 PolarHBondContact O-N 2.95Å
252Y57.2Low65.3Low51 Ų5164.3 Ų64.320%0.236%0.363CS..  trans-65.878.6174.6-64.2-83.3000108.4L84 D88 T224 Q250 D254 D257L84-Y252 HydrophobicContact CB-CE1 4.26Å; L84-Y252 HydrophobicContact CB-CE2 4.21Å; L84-Y252 WeakPolarHBondContact CB-OH 3.48Å; L84-Y252 HydrophobicContact CD1-CD1 4.18Å; L84-Y252 HydrophobicContact CD1-CE1 3.74Å; L84-Y252 HydrophobicContact CD2-CE1 4.06Å; L84-Y252 HydrophobicContact CG-CE1 4.25Å; D88-Y252 PolarHBondContact OD2-OH 3.23Å; T224-Y252 HydrophobicContact CG2-CD1 3.86Å; T224-Y252 HydrophobicContact CG2-CG 4.02Å; Q250-Y252 PolarHBondContact O-N 3.28Å; Q250-Y252 VanDerWaalsContact O-N 3.15Å; Y252-D254 VanDerWaalsContact C-N 3.33Å; Y252-D257 HydrophobicContact CD1-CB 4.41Å; Y252-D257 HydrophobicContact CE1-CB 4.49Å
253T50.4Low67.3Low113 Ų11360.4 Ų60.469%0.69335%0.345SS*.  trans-74-30.5-179.351.40000111.3N251N251-T253 HydrophobicContact CB-CG2 4.33Å; N251-T253 PolarHBondContact O-N 2.95Å
254D64.9Low69.6Low100 Ų10056.5 Ų56.554%0.53532%0.319SS..SBendtrans-79.4139.1174.1-59.4-28.7000109.3T224 Y252 M256T224-D254 PolarHBondContact OG1-O 3.01Å; Y252-D254 VanDerWaalsContact C-N 3.33Å; D254-M256 PolarHBondContact O-N 2.78Å
255N75.7Confident71.6Confident83 Ų8355.4 Ų55.444%0.44431%0.311SS..SBendtrans-61.3-12.5179-70.2-19000113.7T224 N225T224-N255 PolarHBondContact N-O 2.91Å; T224-N255 WeakPolarHBondContact OG1-CA 3.43Å; T224-N255 PolarHBondContact OG1-O 2.93Å; N225-N255 HydrophobicContact CB-CB 4.41Å; N225-N255 PolarHBondContact ND2-OD1 3.37Å
256M81.8Confident73.8Confident71 Ų7153.7 Ų53.735%0.3530%0.304SS..EExtended strand (participates in β ladder)trans-147.5138.8-171.4-69.5175.6-171.900110.1I221 Y222 T224 M229 D254I221-M256 HydrophobicContact CG2-CB 3.77Å; I221-M256 HydrophobicContact CG2-CG 3.76Å; I221-M256 HydrophobicContact CG2-SD 3.99Å; Y222-M256 WeakPolarHBondContact O-CA 3.5Å; T224-M256 PolarHBondContact OG1-N 2.62Å; M229-M256 HydrophobicContact CE-CE 3.47Å; M229-M256 VanDerWaalsContact CE-CE 3.47Å; M229-M256 HydrophobicContact CE-SD 4.24Å; M229-M256 HydrophobicContact CG-CE 4.11Å; D254-M256 PolarHBondContact O-N 2.78Å
257D85.3Confident75.9Confident4 Ų454.1 Ų54.12%0.02131%0.309CS..EExtended strand (participates in β ladder)trans-120.6114.5171.7-172.913.8000110L84 Y222 T224 Y252 R259L84-D257 HydrophobicContact CD1-CB 4.43Å; Y222-D257 WeakPolarHBondContact CB-O 3.31Å; Y222-D257 WeakPolarHBondContact CD2-O 3.32Å; Y222-D257 PolarHBondContact N-O 2.79Å; Y222-D257 PolarHBondContact O-N 2.99Å; T224-D257 HydrophobicContact CG2-CB 4.41Å; Y252-D257 HydrophobicContact CD1-CB 4.41Å; Y252-D257 HydrophobicContact CE1-CB 4.49Å; D257-R259 IonicContact OD1-NE 3.37Å; D257-R259 IonicContact OD2-CZ 3.51Å; D257-R259 VanDerWaalsContact OD2-CZ 3.23Å; D257-R259 IonicContact OD2-NE 3.79Å; D257-R259 PolarHBondContact OD2-NE 3.26Å; D257-R259 IonicContact OD2-NH2 3.66Å; D257-R259 PolarHBondContact OD2-NH2 3.35Å
258R90.3Very high77.8Confident40 Ų4050.9 Ų50.915%0.15129%0.294CS..EExtended strand (participates in β ladder)trans-94.6118.6-176.5-177.1-179.6-69.2-70.13.6110.4K218 L220 I221 E239K218-R258 WeakPolarHBondContact O-CD 3.22Å; K218-R258 WeakPolarHBondContact O-CG 3.1Å; L220-R258 WeakPolarHBondContact O-CA 3.32Å; I221-R258 VanDerWaalsContact CD1-NH2 3.25Å; I221-R258 VanDerWaalsContact CG1-CZ 3.44Å; E239-R258 IonicContact OE2-CZ 2.84Å; E239-R258 IonicContact OE2-NE 3.58Å; E239-R258 PolarHBondContact OE2-NE 3.02Å; E239-R258 IonicContact OE2-NH2 3.43Å; E239-R258 PolarHBondContact OE2-NH2 2.97Å
259R91Very high80.1Confident13 Ų1349.4 Ų49.45%0.04928%0.284CS..EExtended strand (participates in β ladder)trans-127.4137.4-176.4-59.6-169.3176.6-143.15.9113.3G219 L220 Y222 D257G219-R259 CarbonylContact C-O 3.59Å; G219-R259 WeakPolarHBondContact CA-O 3.26Å; L220-R259 PolarHBondContact N-O 3.48Å; L220-R259 PolarHBondContact O-N 3.37Å; Y222-R259 HydrophobicContact CD2-CB 4.25Å; Y222-R259 HydrophobicContact CD2-CG 4.29Å; Y222-R259 HydrophobicContact CE2-CB 3.88Å; Y222-R259 HydrophobicContact CE2-CG 4.29Å; D257-R259 IonicContact OD1-NE 3.37Å; D257-R259 IonicContact OD2-CZ 3.51Å; D257-R259 VanDerWaalsContact OD2-CZ 3.23Å; D257-R259 IonicContact OD2-NE 3.79Å; D257-R259 PolarHBondContact OD2-NE 3.26Å; D257-R259 IonicContact OD2-NH2 3.66Å; D257-R259 PolarHBondContact OD2-NH2 3.35Å
260K91.3Very high82.4Confident83 Ų8346.7 Ų46.736%0.36125%0.252SS..  trans-109.787172.4-173.3174.8174.6172.30109.5K216 V241K216-K260 WeakPolarHBondContact O-CE 3.31Å; K216-K260 PolarHBondContact O-NZ 3.08Å; V241-K260 HydrophobicContact CG1-CB 4.37Å
261C92.3Very high84.8Confident4 Ų441.6 Ų41.63%0.02723%0.229CC..  trans-99.4145.4-175.2-62.60000111.4I95 W210 Y297I95-C261 HydrophobicContact CB-CB 3.98Å; I95-C261 HydrophobicContact CD1-CB 3.5Å; I95-C261 VanDerWaalsContact CD1-CB 3.5Å; I95-C261 HydrophobicContact CG1-CB 4.31Å; I95-C261 HydrophobicContact CG2-CB 3.98Å; W210-C261 HydrophobicContact CG-CB 4.49Å; W210-C261 PolarHBondContact N-O 2.94Å; C261-Y297 HydrophobicContact CB-CE1 4.29Å
262I92.8Very high86.9Confident18 Ų1836.2 Ų36.29%0.09220%0.2CC..BIsolated β-bridgetrans-86.8130.9170.9-64.1167.6000107.5N293 M294 Y297 T372I262-N293 WeakPolarHBondContact CD1-ND2 3.49Å; I262-M294 HydrophobicContact CB-CE 4.01Å; I262-M294 HydrophobicContact CD1-CE 3.3Å; I262-M294 HydrophobicContact CG1-CE 4.23Å; I262-M294 HydrophobicContact CG2-CE 3.93Å; I262-M294 HydrophobicContact CG2-SD 4.35Å; I262-Y297 HydrophobicContact CB-CE1 4.26Å; I262-Y297 HydrophobicContact CB-CE2 4.45Å; I262-Y297 PolarHBondContact N-OH 2.8Å; I262-Y297 WeakPolarHBondContact O-CD1 3.45Å; I262-Y297 WeakPolarHBondContact O-CE1 3.23Å; I262-T372 HydrophobicContact CG2-CG2 4.05Å
263G93.6Very high88.9Confident0 Ų034.3 Ų34.30%019%0.193CC..  trans-73.8-171.7179.900000113.3L96 L207 C208 S265 Q268L96-G263 CarbonylContact O-C 3.56Å; L207-G263 CarbonylContact O-C 3.48Å; L207-G263 WeakPolarHBondContact O-CA 3.46Å; C208-G263 PolarHBondContact O-N 3.14Å; G263-S265 PolarHBondContact O-N 3.41Å; G263-Q268 PolarHBondContact O-NE2 3.31Å
264A95.7Very high91.2Very high6 Ų628.9 Ų28.95%0.0516%0.16CC..  trans-59.3135.1-17400000112.3L96 L101 L207L96-A264 HydrophobicContact CG-CB 4.16Å; L96-A264 WeakPolarHBondContact O-CA 3.26Å; L96-A264 PolarHBondContact O-N 2.9Å; L101-A264 HydrophobicContact CD2-CB 4.16Å; L207-A264 HydrophobicContact CD2-CB 4.13Å; L207-A264 PolarHBondContact O-N 3.31Å
265S93.2Very high92.8Very high23 Ų2324.1 Ų24.116%0.16113%0.134CC..  trans-149144-175.8172.80000110.4G263 A267 Q268G263-S265 PolarHBondContact O-N 3.41Å; S265-A267 PolarHBondContact O-N 3.46Å; S265-A267 VanDerWaalsContact O-N 3.09Å; S265-A267 PolarHBondContact OG-N 2.96Å; S265-Q268 VanDerWaalsContact O-CB 3.26Å; S265-Q268 WeakPolarHBondContact O-CB 3.46Å; S265-Q268 WeakPolarHBondContact O-CG 3.31Å; S265-Q268 PolarHBondContact O-N 3.16Å
266A93.1Very high93.8Very high64 Ų6420.8 Ų20.853%0.52912%0.116SC..G310 helixtrans-58-22.2171.900000112.6Q268 S269A266-Q268 PolarHBondContact O-N 3.5Å; A266-S269 WeakPolarHBondContact O-CB 3.48Å; A266-S269 PolarHBondContact O-N 3.46Å
267A94.2Very high94.6Very high20 Ų2017.9 Ų17.917%0.16510%0.104CC..G310 helixtrans-68.5-10.6173.400000113.7S265 S269 Q273 F290 M294S265-A267 PolarHBondContact O-N 3.46Å; S265-A267 VanDerWaalsContact O-N 3.09Å; S265-A267 PolarHBondContact OG-N 2.96Å; A267-S269 VanDerWaalsContact C-N 3.35Å; A267-Q273 PolarHBondContact O-NE2 3.27Å; A267-F290 HydrophobicContact CB-CE1 3.72Å; A267-F290 HydrophobicContact CB-CZ 3.85Å; A267-M294 HydrophobicContact CB-CB 4.32Å; A267-M294 HydrophobicContact CB-CG 3.78Å; A267-M294 HydrophobicContact CB-SD 4.25Å
268Q96Very high95.2Very high4 Ų417.7 Ų17.72%0.01910%0.103CC..G310 helixtrans-89.6-4.3172.2-54.4167.9-16.500111.6N98 G263 S265 A266 M294 Y297 M298N98-Q268 HydrophobicContact CB-CB 3.76Å; G263-Q268 PolarHBondContact O-NE2 3.31Å; S265-Q268 VanDerWaalsContact O-CB 3.26Å; S265-Q268 WeakPolarHBondContact O-CB 3.46Å; S265-Q268 WeakPolarHBondContact O-CG 3.31Å; S265-Q268 PolarHBondContact O-N 3.16Å; A266-Q268 PolarHBondContact O-N 3.5Å; Q268-M294 HydrophobicContact CG-SD 4.22Å; Q268-Y297 HydrophobicContact CG-CG 4.48Å; Q268-M298 WeakPolarHBondContact O-CG 3.4Å
269S96.5Very high95.6Very high8 Ų815.8 Ų15.86%0.05610%0.096CC..  trans-70.4140.4167.71780000110.1E144 A266 A267 T271E144-S269 VanDerWaalsContact CD-OG 3.29Å; E144-S269 WeakPolarHBondContact OE1-CB 3.41Å; E144-S269 PolarHBondContact OE1-OG 2.99Å; E144-S269 PolarHBondContact OE2-OG 3.21Å; A266-S269 WeakPolarHBondContact O-CB 3.48Å; A266-S269 PolarHBondContact O-N 3.46Å; A267-S269 VanDerWaalsContact C-N 3.35Å; S269-T271 VanDerWaalsContact C-N 3.32Å; S269-T271 WeakPolarHBondContact OG-CG2 3.46Å; S269-T271 PolarHBondContact OG-N 3.44Å; S269-T271 PolarHBondContact OG-OG1 2.91Å
270I96.2Very high95.8Very high16 Ų1617.8 Ų17.88%0.08211%0.105CC..Hα-helixtrans-73.1-27177.6-158.4-170.9000111.7I272 Q273 T274 H302 F305 I306I270-I272 PolarHBondContact O-N 3.14Å; I270-Q273 PolarHBondContact O-N 2.58Å; I270-T274 WeakPolarHBondContact O-CB 3.29Å; I270-T274 PolarHBondContact O-N 3.44Å; I270-T274 PolarHBondContact O-OG1 3.17Å; I270-H302 HydrophobicContact CB-CB 4.41Å; I270-H302 HydrophobicContact CD1-CB 3.71Å; I270-H302 HydrophobicContact CG1-CB 4.07Å; I270-F305 HydrophobicContact CD1-CB 4.38Å; I270-F305 HydrophobicContact CD1-CD1 3.7Å; I270-F305 HydrophobicContact CD1-CG 4.44Å; I270-I306 HydrophobicContact CD1-CG1 4.34Å; I270-I306 HydrophobicContact CG1-CD1 3.65Å; I270-I306 HydrophobicContact CG1-CG1 3.75Å
271T97.3Very high96.1Very high9 Ų914.1 Ų14.16%0.0559%0.09CC..Hα-helixtrans-48.6-65.7-167.155.40000114.2E144 F147 F183 S269 Q273 T274 C275E144-T271 WeakPolarHBondContact OE2-CG2 3.42Å; F147-T271 HydrophobicContact CB-CG2 3.7Å; F147-T271 HydrophobicContact CD1-CG2 3.6Å; F147-T271 HydrophobicContact CD2-CG2 4.15Å; F147-T271 HydrophobicContact CE1-CG2 4.25Å; F147-T271 WeakPolarHBondContact CE2-O 3.27Å; F147-T271 HydrophobicContact CG-CG2 3.53Å; F147-T271 VanDerWaalsContact CZ-O 3.25Å; F147-T271 WeakPolarHBondContact CZ-O 3.21Å; F183-T271 HydrophobicContact CZ-CG2 4.39Å; S269-T271 VanDerWaalsContact C-N 3.32Å; S269-T271 WeakPolarHBondContact OG-CG2 3.46Å; S269-T271 PolarHBondContact OG-N 3.44Å; S269-T271 PolarHBondContact OG-OG1 2.91Å; T271-Q273 VanDerWaalsContact C-N 3.35Å; T271-Q273 PolarHBondContact O-N 3.15Å; T271-T274 WeakPolarHBondContact O-CB 3.48Å; T271-T274 PolarHBondContact O-N 2.92Å; T271-C275 PolarHBondContact O-N 3.5Å
272I97.1Very high96.3Very high30 Ų3020.7 Ų20.715%0.15412%0.118CC..Hα-helixtrans-70.8-31.6-175.1-62.3-59.2000112F183 I270 C275 D276 L338 F341F183-I272 HydrophobicContact CE1-CD1 3.93Å; F183-I272 HydrophobicContact CZ-CD1 4.3Å; I270-I272 PolarHBondContact O-N 3.14Å; I272-C275 WeakPolarHBondContact O-CB 3.48Å; I272-C275 PolarHBondContact O-N 2.73Å; I272-D276 PolarHBondContact O-N 2.59Å; I272-L338 HydrophobicContact CD1-CD1 3.86Å; I272-L338 HydrophobicContact CG2-CD1 4.28Å; I272-F341 HydrophobicContact CD1-CD1 3.52Å; I272-F341 HydrophobicContact CD1-CE1 3.55Å; I272-F341 HydrophobicContact CD1-CG 4.27Å; I272-F341 HydrophobicContact CD1-CZ 4.32Å; I272-F341 HydrophobicContact CG1-CD1 4.27Å; I272-F341 HydrophobicContact CG1-CE1 3.91Å
273Q97.9Very high96.4Very high11 Ų1120.7 Ų20.75%0.05112%0.118CC..Hα-helixtrans-72.1-31.8175.9-72.7-172.565.500112.3A267 I270 T271 C275 D276 A277 F291 I306A267-Q273 PolarHBondContact O-NE2 3.27Å; I270-Q273 PolarHBondContact O-N 2.58Å; T271-Q273 VanDerWaalsContact C-N 3.35Å; T271-Q273 PolarHBondContact O-N 3.15Å; Q273-C275 VanDerWaalsContact C-N 3.33Å; Q273-D276 PolarHBondContact O-N 3.21Å; Q273-A277 WeakPolarHBondContact O-CB 3.36Å; Q273-A277 PolarHBondContact O-N 2.86Å; Q273-F291 HydrophobicContact CG-CD1 4.3Å; Q273-I306 HydrophobicContact CB-CD1 3.74Å; Q273-I306 HydrophobicContact CB-CG1 4.35Å
274T98.4Very high96.5Very high0 Ų024.5 Ų24.50%014%0.135CC..Hα-helixtrans-60.4-43.7168.1-75.80000110.7F147 L151 I154 I270 T271 F278 F305 L309F147-T274 HydrophobicContact CE1-CG2 4.2Å; F147-T274 HydrophobicContact CZ-CG2 3.79Å; L151-T274 HydrophobicContact CD1-CG2 4.14Å; I154-T274 HydrophobicContact CD1-CG2 3.65Å; I270-T274 WeakPolarHBondContact O-CB 3.29Å; I270-T274 PolarHBondContact O-N 3.44Å; I270-T274 PolarHBondContact O-OG1 3.17Å; T271-T274 WeakPolarHBondContact O-CB 3.48Å; T271-T274 PolarHBondContact O-N 2.92Å; T274-F278 VanDerWaalsContact O-CB 3.23Å; T274-F278 WeakPolarHBondContact O-CB 3.47Å; T274-F278 PolarHBondContact O-N 3.39Å; T274-F305 HydrophobicContact CG2-CE1 3.9Å; T274-L309 HydrophobicContact CG2-CD1 3.7Å
275C98.5Very high96.5Very high0 Ų028.8 Ų28.80%016%0.162CC..Hα-helixtrans-62.7-44.4174.4-65.50000112.2F147 T271 I272 Q273 A277 F278 F279 L338F147-C275 VanDerWaalsContact CE2-SG 3.59Å; T271-C275 PolarHBondContact O-N 3.5Å; I272-C275 WeakPolarHBondContact O-CB 3.48Å; I272-C275 PolarHBondContact O-N 2.73Å; Q273-C275 VanDerWaalsContact C-N 3.33Å; C275-A277 PolarHBondContact O-N 3.44Å; C275-F278 PolarHBondContact O-N 3.26Å; C275-F279 HydrophobicContact CB-CD2 4.18Å; C275-F279 HydrophobicContact CB-CE2 4.3Å; C275-F279 WeakPolarHBondContact O-CB 3.24Å; C275-F279 WeakPolarHBondContact O-CD2 3.19Å; C275-F279 PolarHBondContact O-N 3.43Å; C275-L338 HydrophobicContact CB-CD1 3.95Å; C275-L338 HydrophobicContact CB-CD2 4.09Å
276D98.1Very high96.5Very high12 Ų1233.4 Ų33.46%0.06418%0.182CC..Hα-helixtrans-61.7-44.8179-73.6-31.8000112.4I272 Q273 Q280 V281 H283 R342I272-D276 PolarHBondContact O-N 2.59Å; Q273-D276 PolarHBondContact O-N 3.21Å; D276-Q280 CarbonylContact O-C 3.56Å; D276-Q280 WeakPolarHBondContact O-CA 3.49Å; D276-Q280 PolarHBondContact O-N 3.3Å; D276-V281 HydrophobicContact CB-CB 4.18Å; D276-V281 PolarHBondContact O-N 3.21Å; D276-V281 WeakPolarHBondContact OD1-CB 3.34Å; D276-H283 IonicContact OD1-CE1 3.47Å; D276-H283 IonicContact OD1-NE2 3.43Å; D276-H283 PolarHBondContact OD1-NE2 2.8Å; D276-H283 IonicContact OD2-CD2 3.45Å; D276-H283 IonicContact OD2-CE1 3.44Å; D276-H283 IonicContact OD2-NE2 4Å; D276-H283 PolarHBondContact OD2-NE2 3.06Å; D276-R342 IonicContact OD1-CZ 3.71Å; D276-R342 IonicContact OD1-NH1 3.84Å; D276-R342 PolarHBondContact OD1-NH1 3.5Å; D276-R342 IonicContact OD1-NH2 3.48Å; D276-R342 PolarHBondContact OD1-NH2 2.83Å; D276-R342 IonicContact OD2-CZ 3.51Å; D276-R342 IonicContact OD2-NH2 3.47Å; D276-R342 PolarHBondContact OD2-NH2 3.48Å
277A98Very high96.5Very high11 Ų1130.6 Ų30.69%0.09116%0.157CC..Hα-helixtrans-63.4-46.7176.500000111.2Q273 C275 Q280 I306 L309 A310Q273-A277 WeakPolarHBondContact O-CB 3.36Å; Q273-A277 PolarHBondContact O-N 2.86Å; C275-A277 PolarHBondContact O-N 3.44Å; A277-Q280 PolarHBondContact O-N 3.38Å; A277-I306 HydrophobicContact CB-CG2 4.1Å; A277-L309 HydrophobicContact CB-CB 3.86Å; A277-A310 HydrophobicContact CB-CB 4.04Å
278F98.3Very high96.6Very high0 Ų031.9 Ų31.90%016%0.16CC..Hα-helixtrans-62.1-54.7179.4178.2-116000111.6I154 A157 I158 L173 I176 T274 C275 Q280 S313 I315I154-F278 HydrophobicContact CB-CD2 4.42Å; I154-F278 HydrophobicContact CB-CG 4.44Å; I154-F278 HydrophobicContact CD1-CB 4.15Å; I154-F278 HydrophobicContact CD1-CD1 4.09Å; I154-F278 HydrophobicContact CD1-CG 4.16Å; I154-F278 HydrophobicContact CG1-CB 4.41Å; I154-F278 HydrophobicContact CG1-CD1 3.72Å; I154-F278 HydrophobicContact CG1-CD2 4.32Å; I154-F278 HydrophobicContact CG1-CE1 3.98Å; I154-F278 HydrophobicContact CG1-CG 3.89Å; I154-F278 HydrophobicContact CG1-CZ 4.39Å; I154-F278 HydrophobicContact CG2-CB 4.2Å; I154-F278 HydrophobicContact CG2-CD2 3.68Å; I154-F278 HydrophobicContact CG2-CE2 4.17Å; I154-F278 HydrophobicContact CG2-CG 3.9Å; A157-F278 HydrophobicContact CB-CE2 4.01Å; A157-F278 HydrophobicContact CB-CZ 3.68Å; I158-F278 HydrophobicContact CD1-CD2 3.96Å; I158-F278 HydrophobicContact CD1-CE2 3.98Å; I158-F278 HydrophobicContact CG1-CD2 4.16Å; I158-F278 HydrophobicContact CG1-CE2 4.04Å; L173-F278 HydrophobicContact CD2-CE1 4.26Å; I176-F278 HydrophobicContact CD1-CE1 4.01Å; T274-F278 VanDerWaalsContact O-CB 3.23Å; T274-F278 WeakPolarHBondContact O-CB 3.47Å; T274-F278 PolarHBondContact O-N 3.39Å; C275-F278 PolarHBondContact O-N 3.26Å; F278-Q280 PolarHBondContact O-N 2.99Å; F278-S313 WeakPolarHBondContact O-CB 3.45Å; F278-S313 PolarHBondContact O-OG 3.22Å; F278-I315 HydrophobicContact CD2-CG2 4.41Å; F278-I315 HydrophobicContact CE1-CG1 4.23Å; F278-I315 HydrophobicContact CE1-CG2 4.37Å; F278-I315 HydrophobicContact CE2-CB 4.13Å; F278-I315 HydrophobicContact CE2-CG1 4.34Å; F278-I315 HydrophobicContact CE2-CG2 4.26Å; F278-I315 HydrophobicContact CZ-CB 4.08Å; F278-I315 HydrophobicContact CZ-CD1 4.22Å; F278-I315 HydrophobicContact CZ-CG1 3.8Å; F278-I315 HydrophobicContact CZ-CG2 4.25Å; F278-I315 WeakPolarHBondContact O-CG2 3.49Å
279F98Very high96.4Very high0 Ų038.9 Ų38.90%019%0.19CC..THydrogen-bonded Turntrans-78.72.3-178.9-63.1-63.4000114.2L173 I176 C275 V281 I315 Y331 C334 L335L173-F279 HydrophobicContact CD2-CE1 3.85Å; I176-F279 HydrophobicContact CG2-CZ 4.25Å; C275-F279 HydrophobicContact CB-CD2 4.18Å; C275-F279 HydrophobicContact CB-CE2 4.3Å; C275-F279 WeakPolarHBondContact O-CB 3.24Å; C275-F279 WeakPolarHBondContact O-CD2 3.19Å; C275-F279 PolarHBondContact O-N 3.43Å; F279-V281 HydrophobicContact CB-CG2 4.13Å; F279-V281 PolarHBondContact O-N 2.69Å; F279-I315 HydrophobicContact CD1-CG2 4.4Å; F279-Y331 HydrophobicContact CD1-CD2 4.23Å; F279-Y331 AromaticContact CD1-CE2 3.89Å; F279-Y331 HydrophobicContact CD1-CE2 3.89Å; F279-Y331 PolarHBondContact O-OH 3.33Å; F279-C334 HydrophobicContact CD1-CB 4.47Å; F279-C334 HydrophobicContact CE1-CB 3.53Å; F279-C334 HydrophobicContact CE2-CB 4.14Å; F279-C334 HydrophobicContact CZ-CB 3.35Å; F279-L335 HydrophobicContact CB-CD2 3.74Å; F279-L335 HydrophobicContact CD1-CD2 4.41Å; F279-L335 HydrophobicContact CD2-CD2 4.32Å; F279-L335 HydrophobicContact CG-CD2 3.92Å
280Q95.9Very high96.2Very high54 Ų5439.4 Ų39.425%0.25219%0.192SC..THydrogen-bonded Turntrans53.140.5-176.5-56.3-173.9-28.700113.4D276 A277 F278 K282 S313 R316D276-Q280 CarbonylContact O-C 3.56Å; D276-Q280 WeakPolarHBondContact O-CA 3.49Å; D276-Q280 PolarHBondContact O-N 3.3Å; A277-Q280 PolarHBondContact O-N 3.38Å; F278-Q280 PolarHBondContact O-N 2.99Å; Q280-K282 PolarHBondContact O-N 3.05Å; Q280-S313 PolarHBondContact NE2-O 3.44Å; Q280-R316 HydrophobicContact CB-CB 4.41Å
281V97.1Very high96.2Very high6 Ų639.6 Ų39.64%0.03619%0.192CC..  trans-64.5130.9173.5176.80000108.5D276 F279 L335 L338 A387 A391D276-V281 HydrophobicContact CB-CB 4.18Å; D276-V281 PolarHBondContact O-N 3.21Å; D276-V281 WeakPolarHBondContact OD1-CB 3.34Å; F279-V281 HydrophobicContact CB-CG2 4.13Å; F279-V281 PolarHBondContact O-N 2.69Å; V281-L335 HydrophobicContact CG2-CD2 4.18Å; V281-L338 HydrophobicContact CG2-CD2 4.31Å; V281-A387 HydrophobicContact CG1-CB 4.1Å; V281-A387 WeakPolarHBondContact CG1-O 3.37Å; V281-A391 HydrophobicContact CG2-CB 4.21Å
282K95.7Very high96Very high142 Ų14245.7 Ų45.762%0.61721%0.214SC*.  trans-108.3119.5177.2-60.7-57.1-178.1-171.40109.3Q280Q280-K282 PolarHBondContact O-N 3.05Å
283H96.1Very high95.8Very high19 Ų1946.3 Ų46.39%0.08822%0.218CC..  trans-92.6170.4177.3-57.4-77.3000111.6D276 D287 E288 F291 R342D276-H283 IonicContact OD1-CE1 3.47Å; D276-H283 IonicContact OD1-NE2 3.43Å; D276-H283 PolarHBondContact OD1-NE2 2.8Å; D276-H283 IonicContact OD2-CD2 3.45Å; D276-H283 IonicContact OD2-CE1 3.44Å; D276-H283 IonicContact OD2-NE2 4Å; D276-H283 PolarHBondContact OD2-NE2 3.06Å; H283-D287 HydrophobicContact CB-CB 3.94Å; H283-E288 HydrophobicContact CB-CG 3.98Å; H283-E288 WeakPolarHBondContact CB-OE1 3.47Å; H283-E288 IonicContact CD2-OE1 3.51Å; H283-E288 PolarHBondContact CD2-OE1 3.4Å; H283-E288 IonicContact CG-OE1 3.48Å; H283-E288 PolarHBondContact N-OE1 2.9Å; H283-F291 AromaticContact CD2-CE2 3.97Å; H283-R342 PolarHBondContact CE1-NH1 3.42Å
284H95.7Very high95.7Very high80 Ų8045.8 Ų45.837%0.3722%0.215SC..  trans-59.5144.9170.1-174.7-96.5000110.5E286 D287 E288 R383H284-E286 IonicContact CE1-OE2 2.79Å; H284-E286 PolarHBondContact ND1-N 3.47Å; H284-E286 IonicContact ND1-OE2 2.83Å; H284-E286 PolarHBondContact O-N 2.79Å; H284-D287 WeakPolarHBondContact O-CB 3.46Å; H284-D287 PolarHBondContact O-N 2.88Å; H284-E288 PolarHBondContact O-N 3.44Å; H284-R383 HydrophobicContact CB-CG 4.19Å; H284-R383 PolarHBondContact ND1-NH1 3.11Å
285P95.5Very high95.5Very high95 Ų9547.8 Ų47.862%0.61723%0.225SC*.Hα-helixtrans-53.9-32.4-175.1-30.636.4000115.5K289P285-K289 WeakPolarHBondContact O-CB 3.43Å; P285-K289 PolarHBondContact O-N 2.74Å
286E92.6Very high95.3Very high121 Ų12149 Ų4957%0.56523%0.232SC*.Hα-helixtrans-67-40174.5-66176.2158.400112.9H284 K289 F290 R383H284-E286 IonicContact CE1-OE2 2.79Å; H284-E286 PolarHBondContact ND1-N 3.47Å; H284-E286 IonicContact ND1-OE2 2.83Å; H284-E286 PolarHBondContact O-N 2.79Å; E286-K289 PolarHBondContact O-N 2.65Å; E286-F290 PolarHBondContact O-N 2.83Å; E286-R383 IonicContact OE2-CZ 3.84Å; E286-R383 IonicContact OE2-NH1 3.69Å; E286-R383 PolarHBondContact OE2-NH1 3.15Å; E286-R383 VanDerWaalsContact OE2-NH1 3.13Å; E286-R383 IonicContact OE2-NH2 3.05Å; E286-R383 PolarHBondContact OE2-NH2 2.91Å
287D93.9Very high95.1Very high4 Ų448.5 Ų48.52%0.02123%0.229CC..Hα-helixtrans-72.9-40.1-179.4-57.7-26.4000109.8H283 H284 K289 F290 F291 F380 R383 V384H283-D287 HydrophobicContact CB-CB 3.94Å; H284-D287 WeakPolarHBondContact O-CB 3.46Å; H284-D287 PolarHBondContact O-N 2.88Å; D287-K289 VanDerWaalsContact C-N 3.3Å; D287-K289 PolarHBondContact O-N 2.89Å; D287-F290 CarbonylContact O-C 3.33Å; D287-F290 WeakPolarHBondContact O-CA 3.37Å; D287-F290 WeakPolarHBondContact O-CB 3.32Å; D287-F290 PolarHBondContact O-N 3.34Å; D287-F290 VanDerWaalsContact O-N 3.08Å; D287-F291 HydrophobicContact CB-CE2 4.25Å; D287-F291 WeakPolarHBondContact O-CD2 3.27Å; D287-F291 PolarHBondContact O-N 3.1Å; D287-F380 HydrophobicContact CB-CE2 4.09Å; D287-F380 WeakPolarHBondContact OD1-CD2 3.46Å; D287-F380 WeakPolarHBondContact OD1-CE2 3.39Å; D287-R383 IonicContact OD1-CZ 2.89Å; D287-R383 IonicContact OD1-NE 2.73Å; D287-R383 PolarHBondContact OD1-NE 2.87Å; D287-R383 IonicContact OD1-NH2 3.17Å; D287-R383 PolarHBondContact OD1-NH2 2.91Å; D287-R383 IonicContact OD2-CZ 2.93Å; D287-R383 IonicContact OD2-NE 3.69Å; D287-R383 PolarHBondContact OD2-NE 3.44Å; D287-R383 IonicContact OD2-NH2 2.65Å; D287-R383 PolarHBondContact OD2-NH2 2.89Å; D287-V384 HydrophobicContact CB-CG2 4.25Å
288E95Very high95Very high47 Ų4748.1 Ų48.122%0.2223%0.225CC..Hα-helixtrans-56.2-44.3170.6-73.1-64.5165.200111.8H283 H284 F290 F291 R292H283-E288 HydrophobicContact CB-CG 3.98Å; H283-E288 WeakPolarHBondContact CB-OE1 3.47Å; H283-E288 IonicContact CD2-OE1 3.51Å; H283-E288 PolarHBondContact CD2-OE1 3.4Å; H283-E288 IonicContact CG-OE1 3.48Å; H283-E288 PolarHBondContact N-OE1 2.9Å; H284-E288 PolarHBondContact O-N 3.44Å; E288-F290 VanDerWaalsContact C-N 3.33Å; E288-F290 PolarHBondContact O-N 3.45Å; E288-F291 PolarHBondContact O-N 3.3Å; E288-R292 WeakPolarHBondContact O-CB 3.37Å; E288-R292 WeakPolarHBondContact O-CG 3.44Å; E288-R292 PolarHBondContact O-N 3.09Å; E288-R292 IonicContact OE2-NH1 3.76Å
289K93.5Very high94.7Very high151 Ų15148.6 Ų48.666%0.65723%0.228SC*.Hα-helixtrans-63.7-40174.9-174.6-177.8179.2-178.90111.4P285 E286 D287 N293P285-K289 WeakPolarHBondContact O-CB 3.43Å; P285-K289 PolarHBondContact O-N 2.74Å; E286-K289 PolarHBondContact O-N 2.65Å; D287-K289 VanDerWaalsContact C-N 3.3Å; D287-K289 PolarHBondContact O-N 2.89Å; K289-N293 PolarHBondContact O-N 3.01Å; K289-N293 VanDerWaalsContact O-N 3.09Å
290F92.3Very high94.4Very high19 Ų1954.4 Ų54.48%0.08325%0.25CC..Hα-helixtrans-63.1-49.8176170.1-103.3000112A267 E286 D287 E288 R292 N293 M294 Q375 F380A267-F290 HydrophobicContact CB-CE1 3.72Å; A267-F290 HydrophobicContact CB-CZ 3.85Å; E286-F290 PolarHBondContact O-N 2.83Å; D287-F290 CarbonylContact O-C 3.33Å; D287-F290 WeakPolarHBondContact O-CA 3.37Å; D287-F290 WeakPolarHBondContact O-CB 3.32Å; D287-F290 PolarHBondContact O-N 3.34Å; D287-F290 VanDerWaalsContact O-N 3.08Å; E288-F290 VanDerWaalsContact C-N 3.33Å; E288-F290 PolarHBondContact O-N 3.45Å; F290-R292 PolarHBondContact O-N 3.43Å; F290-N293 WeakPolarHBondContact O-CA 3.28Å; F290-N293 WeakPolarHBondContact O-CB 3.35Å; F290-N293 PolarHBondContact O-N 2.98Å; F290-N293 VanDerWaalsContact O-N 3.08Å; F290-M294 HydrophobicContact CD1-CG 4.22Å; F290-M294 HydrophobicContact CD2-CE 4.45Å; F290-M294 HydrophobicContact CD2-CG 4.14Å; F290-M294 HydrophobicContact CE1-CG 3.72Å; F290-M294 HydrophobicContact CE2-CE 3.91Å; F290-M294 HydrophobicContact CE2-CG 3.64Å; F290-M294 HydrophobicContact CE2-SD 3.76Å; F290-M294 HydrophobicContact CG-CG 4.44Å; F290-M294 HydrophobicContact CZ-CE 4.49Å; F290-M294 HydrophobicContact CZ-CG 3.43Å; F290-M294 VanDerWaalsContact CZ-CG 3.43Å; F290-M294 HydrophobicContact CZ-SD 3.74Å; F290-M294 WeakPolarHBondContact O-CG 3.47Å; F290-M294 PolarHBondContact O-N 3.07Å; F290-Q375 HydrophobicContact CD2-CG 4.49Å; F290-Q375 VanDerWaalsContact CE2-CD 3.48Å; F290-F380 HydrophobicContact CD1-CE1 4.48Å; F290-F380 AromaticContact CD1-CE2 3.79Å; F290-F380 HydrophobicContact CD1-CE2 3.79Å; F290-F380 AromaticContact CD1-CZ 3.49Å; F290-F380 HydrophobicContact CD1-CZ 3.49Å; F290-F380 VanDerWaalsContact CD1-CZ 3.49Å; F290-F380 HydrophobicContact CE1-CE1 4.14Å; F290-F380 HydrophobicContact CE1-CE2 4.26Å; F290-F380 AromaticContact CE1-CZ 3.53Å; F290-F380 HydrophobicContact CE1-CZ 3.53Å; F290-F380 HydrophobicContact CG-CE2 4.42Å; F290-F380 HydrophobicContact CG-CZ 4.46Å
291F95.1Very high94.3Very high20 Ų2056.6 Ų56.69%0.08826%0.26CS..Hα-helixtrans-63.6-41.8179.9-69.2-55.1000112.2Q273 H283 D287 E288 N293 M294 Q295 F380 V384Q273-F291 HydrophobicContact CG-CD1 4.3Å; H283-F291 AromaticContact CD2-CE2 3.97Å; D287-F291 HydrophobicContact CB-CE2 4.25Å; D287-F291 WeakPolarHBondContact O-CD2 3.27Å; D287-F291 PolarHBondContact O-N 3.1Å; E288-F291 PolarHBondContact O-N 3.3Å; F291-N293 VanDerWaalsContact C-N 3.25Å; F291-N293 PolarHBondContact O-N 2.77Å; F291-M294 PolarHBondContact O-N 2.93Å; F291-M294 VanDerWaalsContact O-N 3.07Å; F291-Q295 WeakPolarHBondContact O-CG 3.13Å; F291-Q295 PolarHBondContact O-N 3.09Å; F291-F380 HydrophobicContact CE1-CZ 4.26Å; F291-F380 HydrophobicContact CZ-CE2 4.47Å; F291-F380 AromaticContact CZ-CZ 3.92Å; F291-F380 HydrophobicContact CZ-CZ 3.92Å; F291-V384 HydrophobicContact CE2-CG1 4.4Å; F291-V384 HydrophobicContact CE2-CG2 3.98Å; F291-V384 HydrophobicContact CZ-CG1 4.02Å; F291-V384 HydrophobicContact CZ-CG2 3.94Å
292R94.3Very high94.1Very high137 Ų13758.4 Ų58.452%0.51727%0.268SS..Hα-helixtrans-57.8-37.5171.4-76.2-168-66.2-84.80.6112.8E288 F290E288-R292 WeakPolarHBondContact O-CB 3.37Å; E288-R292 WeakPolarHBondContact O-CG 3.44Å; E288-R292 PolarHBondContact O-N 3.09Å; E288-R292 IonicContact OE2-NH1 3.76Å; F290-R292 PolarHBondContact O-N 3.43Å
293N93.1Very high94.1Very high44 Ų4453.8 Ų53.824%0.23525%0.247CC..Hα-helixtrans-68.2-43.4173.8-174.334.1000111.5I262 K289 F290 F291 Q295 T296 Y297I262-N293 WeakPolarHBondContact CD1-ND2 3.49Å; K289-N293 PolarHBondContact O-N 3.01Å; K289-N293 VanDerWaalsContact O-N 3.09Å; F290-N293 WeakPolarHBondContact O-CA 3.28Å; F290-N293 WeakPolarHBondContact O-CB 3.35Å; F290-N293 PolarHBondContact O-N 2.98Å; F290-N293 VanDerWaalsContact O-N 3.08Å; F291-N293 VanDerWaalsContact C-N 3.25Å; F291-N293 PolarHBondContact O-N 2.77Å; N293-Q295 VanDerWaalsContact C-N 3.28Å; N293-Q295 PolarHBondContact O-N 3.2Å; N293-T296 WeakPolarHBondContact O-CB 3.34Å; N293-T296 PolarHBondContact O-N 3.45Å; N293-T296 PolarHBondContact O-OG1 3.47Å; N293-Y297 VanDerWaalsContact O-CD2 3.31Å; N293-Y297 WeakPolarHBondContact O-CD2 3.39Å; N293-Y297 WeakPolarHBondContact O-CE2 3.16Å
294M94.3Very high94.2Very high0 Ų057.7 Ų57.70%027%0.265CS..Hα-helixtrans-63-33177.4-67.4-62.194.600113.1I262 A267 Q268 F290 F291 T296 Y297I262-M294 HydrophobicContact CB-CE 4.01Å; I262-M294 HydrophobicContact CD1-CE 3.3Å; I262-M294 HydrophobicContact CG1-CE 4.23Å; I262-M294 HydrophobicContact CG2-CE 3.93Å; I262-M294 HydrophobicContact CG2-SD 4.35Å; A267-M294 HydrophobicContact CB-CB 4.32Å; A267-M294 HydrophobicContact CB-CG 3.78Å; A267-M294 HydrophobicContact CB-SD 4.25Å; Q268-M294 HydrophobicContact CG-SD 4.22Å; F290-M294 HydrophobicContact CD1-CG 4.22Å; F290-M294 HydrophobicContact CD2-CE 4.45Å; F290-M294 HydrophobicContact CD2-CG 4.14Å; F290-M294 HydrophobicContact CE1-CG 3.72Å; F290-M294 HydrophobicContact CE2-CE 3.91Å; F290-M294 HydrophobicContact CE2-CG 3.64Å; F290-M294 HydrophobicContact CE2-SD 3.76Å; F290-M294 HydrophobicContact CG-CG 4.44Å; F290-M294 HydrophobicContact CZ-CE 4.49Å; F290-M294 HydrophobicContact CZ-CG 3.43Å; F290-M294 VanDerWaalsContact CZ-CG 3.43Å; F290-M294 HydrophobicContact CZ-SD 3.74Å; F290-M294 WeakPolarHBondContact O-CG 3.47Å; F290-M294 PolarHBondContact O-N 3.07Å; F291-M294 PolarHBondContact O-N 2.93Å; F291-M294 VanDerWaalsContact O-N 3.07Å; M294-T296 PolarHBondContact O-N 3.24Å; M294-Y297 HydrophobicContact CE-CD2 4.08Å; M294-Y297 HydrophobicContact CE-CE2 3.88Å; M294-Y297 WeakPolarHBondContact O-CB 3.38Å; M294-Y297 PolarHBondContact O-N 2.8Å
295Q95.3Very high94.2Very high42 Ų4256.4 Ų56.420%0.19626%0.259CS..Hα-helixtrans-57-32.1172.6-77.5172.616.200112F291 N293 Y297 M298 R303 I306F291-Q295 WeakPolarHBondContact O-CG 3.13Å; F291-Q295 PolarHBondContact O-N 3.09Å; N293-Q295 VanDerWaalsContact C-N 3.28Å; N293-Q295 PolarHBondContact O-N 3.2Å; Q295-Y297 PolarHBondContact O-N 3.42Å; Q295-M298 HydrophobicContact CG-CE 4.01Å; Q295-M298 HydrophobicContact CG-SD 4.17Å; Q295-M298 WeakPolarHBondContact O-CB 3.21Å; Q295-M298 PolarHBondContact O-N 3.02Å; Q295-R303 HydrophobicContact CB-CG 3.99Å; Q295-R303 WeakPolarHBondContact O-CD 3.45Å; Q295-R303 WeakPolarHBondContact O-CG 3.36Å; Q295-R303 PolarHBondContact O-NE 2.75Å; Q295-I306 HydrophobicContact CG-CD1 4.49Å
296T93.3Very high94.4Very high24 Ų2452.3 Ų52.315%0.14723%0.231CC..THydrogen-bonded Turntrans-63.3-15176.574.40000114.2Q93 P246 N293 M294Q93-T296 WeakPolarHBondContact CG-O 3.44Å; Q93-T296 PolarHBondContact NE2-OG1 3Å; P246-T296 HydrophobicContact CG-CG2 4.04Å; N293-T296 WeakPolarHBondContact O-CB 3.34Å; N293-T296 PolarHBondContact O-N 3.45Å; N293-T296 PolarHBondContact O-OG1 3.47Å; M294-T296 PolarHBondContact O-N 3.24Å
297Y95.1Very high94.6Very high3 Ų351.7 Ų51.71%0.01223%0.228CC..THydrogen-bonded Turntrans-97.88.8175.7-59.2-101.9000112.3I92 Q93 I95 T97 C261 I262 Q268 N293 M294 Q295I92-Y297 VanDerWaalsContact CD1-O 3.26Å; I92-Y297 WeakPolarHBondContact CD1-O 3.36Å; I92-Y297 WeakPolarHBondContact CG1-O 3.07Å; Q93-Y297 HydrophobicContact CB-CD1 3.58Å; Q93-Y297 HydrophobicContact CB-CE1 3.66Å; Q93-Y297 HydrophobicContact CB-CG 4.28Å; Q93-Y297 HydrophobicContact CG-CD1 3.6Å; Q93-Y297 HydrophobicContact CG-CD2 4.2Å; Q93-Y297 HydrophobicContact CG-CE1 3.57Å; Q93-Y297 HydrophobicContact CG-CE2 4.17Å; Q93-Y297 HydrophobicContact CG-CG 3.91Å; I95-Y297 HydrophobicContact CG2-CD1 3.91Å; I95-Y297 HydrophobicContact CG2-CE1 3.83Å; T97-Y297 HydrophobicContact CG2-CD1 4.22Å; C261-Y297 HydrophobicContact CB-CE1 4.29Å; I262-Y297 HydrophobicContact CB-CE1 4.26Å; I262-Y297 HydrophobicContact CB-CE2 4.45Å; I262-Y297 PolarHBondContact N-OH 2.8Å; I262-Y297 WeakPolarHBondContact O-CD1 3.45Å; I262-Y297 WeakPolarHBondContact O-CE1 3.23Å; Q268-Y297 HydrophobicContact CG-CG 4.48Å; N293-Y297 VanDerWaalsContact O-CD2 3.31Å; N293-Y297 WeakPolarHBondContact O-CD2 3.39Å; N293-Y297 WeakPolarHBondContact O-CE2 3.16Å; M294-Y297 HydrophobicContact CE-CD2 4.08Å; M294-Y297 HydrophobicContact CE-CE2 3.88Å; M294-Y297 WeakPolarHBondContact O-CB 3.38Å; M294-Y297 PolarHBondContact O-N 2.8Å; Q295-Y297 PolarHBondContact O-N 3.42Å
298M94.8Very high94.7Very high2 Ų254.1 Ų54.11%0.0124%0.241CC..SBendtrans-104.3152.5172.5-55.5176.6-16900110.1Q268 Q295 H302 R303 I306Q268-M298 WeakPolarHBondContact O-CG 3.4Å; Q295-M298 HydrophobicContact CG-CE 4.01Å; Q295-M298 HydrophobicContact CG-SD 4.17Å; Q295-M298 WeakPolarHBondContact O-CB 3.21Å; Q295-M298 PolarHBondContact O-N 3.02Å; M298-H302 HydrophobicContact CB-CB 4.18Å; M298-H302 HydrophobicContact SD-CB 4.47Å; M298-R303 HydrophobicContact CB-CG 4.08Å; M298-R303 PolarHBondContact O-NE 2.84Å; M298-R303 VanDerWaalsContact O-NE 3.14Å; M298-R303 PolarHBondContact O-NH2 3.08Å; M298-I306 HydrophobicContact CE-CD1 4.24Å; M298-I306 HydrophobicContact SD-CD1 3.84Å
299I91.6Very high94.9Very high10 Ų1052.3 Ų52.35%0.05123%0.233CC..  trans-56.9155.7169.763.3173.9000111.3I92 E99 E301 H302 R303I92-I299 HydrophobicContact CD1-CG2 4.46Å; E99-I299 HydrophobicContact CG-CG2 3.9Å; I299-E301 VanDerWaalsContact C-N 3.26Å; I299-E301 HydrophobicContact CD1-CB 4.48Å; I299-E301 PolarHBondContact O-N 3.48Å; I299-H302 HydrophobicContact CG1-CB 4.03Å; I299-H302 PolarHBondContact O-N 2.99Å; I299-R303 PolarHBondContact O-N 3.11Å
300R92.4Very high95Very high122 Ų12247.8 Ų47.846%0.4622%0.224SC..Hα-helixtrans-56.9-41.2-173.8-71.6176.9-178.8166.88.8112.2D88 H302 R303 Q304D88-R300 PolarHBondContact O-NH2 3.48Å; R300-H302 PolarHBondContact O-N 3.05Å; R300-R303 VanDerWaalsContact CG-NH2 3.29Å; R300-R303 PolarHBondContact O-N 2.91Å; R300-Q304 WeakPolarHBondContact O-CB 3.45Å; R300-Q304 PolarHBondContact O-N 3.41Å
301E92.8Very high95.2Very high100 Ų10052.8 Ų52.847%0.46725%0.249SC..Hα-helixtrans-62.7-43-177-60.778.4-175.400111.3I299 Q304 F305I299-E301 VanDerWaalsContact C-N 3.26Å; I299-E301 HydrophobicContact CD1-CB 4.48Å; I299-E301 PolarHBondContact O-N 3.48Å; E301-Q304 PolarHBondContact O-N 3.49Å; E301-F305 WeakPolarHBondContact O-CB 3.4Å; E301-F305 PolarHBondContact O-N 3.43Å
302H94.8Very high95.2Very high45 Ų4558.7 Ų58.721%0.20827%0.272CS..Hα-helixtrans-66.4-41.6178.1-72.9-172.9000112.1I270 M298 I299 R300 F305 I306I270-H302 HydrophobicContact CB-CB 4.41Å; I270-H302 HydrophobicContact CD1-CB 3.71Å; I270-H302 HydrophobicContact CG1-CB 4.07Å; M298-H302 HydrophobicContact CB-CB 4.18Å; M298-H302 HydrophobicContact SD-CB 4.47Å; I299-H302 HydrophobicContact CG1-CB 4.03Å; I299-H302 PolarHBondContact O-N 2.99Å; R300-H302 PolarHBondContact O-N 3.05Å; H302-F305 PolarHBondContact O-N 3.38Å; H302-I306 WeakPolarHBondContact O-CG1 3.48Å; H302-I306 PolarHBondContact O-N 3.39Å; H302-I306 VanDerWaalsContact O-N 3.08Å
303R95.5Very high95.4Very high44 Ų4452.2 Ų52.217%0.16625%0.247CC..Hα-helixtrans-64.1-46.7175.8-73.7-176.8-88.2172.86.9112.2G91 Q295 M298 I299 R300 F305 I306 H307G91-R303 PolarHBondContact O-NH2 3.26Å; Q295-R303 HydrophobicContact CB-CG 3.99Å; Q295-R303 WeakPolarHBondContact O-CD 3.45Å; Q295-R303 WeakPolarHBondContact O-CG 3.36Å; Q295-R303 PolarHBondContact O-NE 2.75Å; M298-R303 HydrophobicContact CB-CG 4.08Å; M298-R303 PolarHBondContact O-NE 2.84Å; M298-R303 VanDerWaalsContact O-NE 3.14Å; M298-R303 PolarHBondContact O-NH2 3.08Å; I299-R303 PolarHBondContact O-N 3.11Å; R300-R303 VanDerWaalsContact CG-NH2 3.29Å; R300-R303 PolarHBondContact O-N 2.91Å; R303-F305 VanDerWaalsContact C-N 3.26Å; R303-F305 PolarHBondContact O-N 3.39Å; R303-I306 PolarHBondContact O-N 2.87Å; R303-H307 WeakPolarHBondContact O-CB 3.2Å; R303-H307 PolarHBondContact O-N 2.8Å
304Q96.6Very high95.6Very high102 Ų10255.3 Ų55.348%0.47726%0.256SS..Hα-helixtrans-59.3-44179.1-171.761.153.500109.9R300 E301 I306 H307 D308R300-Q304 WeakPolarHBondContact O-CB 3.45Å; R300-Q304 PolarHBondContact O-N 3.41Å; E301-Q304 PolarHBondContact O-N 3.49Å; Q304-I306 PolarHBondContact O-N 3.04Å; Q304-H307 WeakPolarHBondContact O-CB 3Å; Q304-H307 PolarHBondContact O-N 3.22Å; Q304-D308 PolarHBondContact NE2-OD1 2.94Å; Q304-D308 PolarHBondContact NE2-OD2 3.15Å; Q304-D308 WeakPolarHBondContact O-CB 3.38Å; Q304-D308 PolarHBondContact O-N 2.93Å
305F97.6Very high95.7Very high53 Ų5355.3 Ų55.323%0.23226%0.256CS..Hα-helixtrans-60.3-45.8177.1-177-104.3000113.4L151 I270 T274 E301 H302 R303 H307 D308 L309L151-F305 HydrophobicContact CD1-CE1 3.42Å; L151-F305 VanDerWaalsContact CD1-CE1 3.42Å; L151-F305 HydrophobicContact CD1-CZ 3.42Å; L151-F305 VanDerWaalsContact CD1-CZ 3.42Å; I270-F305 HydrophobicContact CD1-CB 4.38Å; I270-F305 HydrophobicContact CD1-CD1 3.7Å; I270-F305 HydrophobicContact CD1-CG 4.44Å; T274-F305 HydrophobicContact CG2-CE1 3.9Å; E301-F305 WeakPolarHBondContact O-CB 3.4Å; E301-F305 PolarHBondContact O-N 3.43Å; H302-F305 PolarHBondContact O-N 3.38Å; R303-F305 VanDerWaalsContact C-N 3.26Å; R303-F305 PolarHBondContact O-N 3.39Å; F305-H307 VanDerWaalsContact C-N 3.33Å; F305-H307 PolarHBondContact O-N 3.2Å; F305-D308 PolarHBondContact O-N 2.9Å; F305-L309 HydrophobicContact CD1-CD1 3.93Å; F305-L309 HydrophobicContact CD1-CG 4.5Å; F305-L309 HydrophobicContact CE1-CD1 3.3Å; F305-L309 HydrophobicContact CE1-CG 4.09Å; F305-L309 HydrophobicContact CE2-CD1 4.32Å; F305-L309 HydrophobicContact CE2-CG 4.3Å; F305-L309 HydrophobicContact CZ-CD1 3.53Å; F305-L309 HydrophobicContact CZ-CD2 4.34Å; F305-L309 HydrophobicContact CZ-CG 3.97Å; F305-L309 WeakPolarHBondContact O-CB 3.38Å; F305-L309 WeakPolarHBondContact O-CG 3.16Å; F305-L309 PolarHBondContact O-N 3.31Å
306I97.9Very high95.8Very high9 Ų957 Ų575%0.04626%0.26CS..Hα-helixtrans-61.2-44.1175.5-67.8165.1000110.6I270 Q273 A277 Q295 M298 H302 R303 Q304 L309 A310I270-I306 HydrophobicContact CD1-CG1 4.34Å; I270-I306 HydrophobicContact CG1-CD1 3.65Å; I270-I306 HydrophobicContact CG1-CG1 3.75Å; Q273-I306 HydrophobicContact CB-CD1 3.74Å; Q273-I306 HydrophobicContact CB-CG1 4.35Å; A277-I306 HydrophobicContact CB-CG2 4.1Å; Q295-I306 HydrophobicContact CG-CD1 4.49Å; M298-I306 HydrophobicContact CE-CD1 4.24Å; M298-I306 HydrophobicContact SD-CD1 3.84Å; H302-I306 WeakPolarHBondContact O-CG1 3.48Å; H302-I306 PolarHBondContact O-N 3.39Å; H302-I306 VanDerWaalsContact O-N 3.08Å; R303-I306 PolarHBondContact O-N 2.87Å; Q304-I306 PolarHBondContact O-N 3.04Å; I306-L309 PolarHBondContact O-N 3.46Å; I306-A310 WeakPolarHBondContact O-CB 3.39Å; I306-A310 PolarHBondContact O-N 3.4Å
307H97.1Very high96Very high107 Ų10757.9 Ų57.950%0.49527%0.268SS..Hα-helixtrans-61-47.7178.6176-83.1000111.6R303 Q304 F305 L309 A310 M311R303-H307 WeakPolarHBondContact O-CB 3.2Å; R303-H307 PolarHBondContact O-N 2.8Å; Q304-H307 WeakPolarHBondContact O-CB 3Å; Q304-H307 PolarHBondContact O-N 3.22Å; F305-H307 VanDerWaalsContact C-N 3.33Å; F305-H307 PolarHBondContact O-N 3.2Å; H307-L309 PolarHBondContact O-N 3.13Å; H307-A310 PolarHBondContact O-N 3.44Å; H307-M311 PolarHBondContact O-N 3.39Å
308D97.5Very high96.1Very high55 Ų5558.1 Ų58.129%0.29427%0.269SS..Hα-helixtrans-63.2-43.8179.7-66.4-15.7000110.9Q304 F305 A310 M311 Y312Q304-D308 PolarHBondContact NE2-OD1 2.94Å; Q304-D308 PolarHBondContact NE2-OD2 3.15Å; Q304-D308 WeakPolarHBondContact O-CB 3.38Å; Q304-D308 PolarHBondContact O-N 2.93Å; F305-D308 PolarHBondContact O-N 2.9Å; D308-A310 VanDerWaalsContact C-N 3.34Å; D308-A310 PolarHBondContact O-N 3.27Å; D308-M311 PolarHBondContact O-N 3.25Å; D308-M311 VanDerWaalsContact O-N 3.15Å; D308-Y312 HydrophobicContact CB-CD2 4.11Å; D308-Y312 HydrophobicContact CB-CE2 4.37Å; D308-Y312 WeakPolarHBondContact O-CB 3.4Å; D308-Y312 WeakPolarHBondContact O-CD2 3.37Å; D308-Y312 PolarHBondContact O-N 3.47Å
309L97.4Very high96.2Very high10 Ų1058 Ų585%0.05227%0.269CS..Hα-helixtrans-59.7-43.8174.1-78.5-179.8000112.4I154 I158 T274 A277 F305 I306 H307 M311 Y312 S313I154-L309 HydrophobicContact CG2-CD1 4.13Å; I154-L309 HydrophobicContact CG2-CD2 3.9Å; I158-L309 HydrophobicContact CD1-CD2 3.96Å; I158-L309 HydrophobicContact CG1-CD2 3.75Å; T274-L309 HydrophobicContact CG2-CD1 3.7Å; A277-L309 HydrophobicContact CB-CB 3.86Å; F305-L309 HydrophobicContact CD1-CD1 3.93Å; F305-L309 HydrophobicContact CD1-CG 4.5Å; F305-L309 HydrophobicContact CE1-CD1 3.3Å; F305-L309 HydrophobicContact CE1-CG 4.09Å; F305-L309 HydrophobicContact CE2-CD1 4.32Å; F305-L309 HydrophobicContact CE2-CG 4.3Å; F305-L309 HydrophobicContact CZ-CD1 3.53Å; F305-L309 HydrophobicContact CZ-CD2 4.34Å; F305-L309 HydrophobicContact CZ-CG 3.97Å; F305-L309 WeakPolarHBondContact O-CB 3.38Å; F305-L309 WeakPolarHBondContact O-CG 3.16Å; F305-L309 PolarHBondContact O-N 3.31Å; I306-L309 PolarHBondContact O-N 3.46Å; H307-L309 PolarHBondContact O-N 3.13Å; L309-M311 PolarHBondContact O-N 2.92Å; L309-Y312 PolarHBondContact O-N 3.32Å; L309-S313 WeakPolarHBondContact O-CB 3.36Å; L309-S313 PolarHBondContact O-N 3.08Å
310A96.1Very high96.5Very high56 Ų5660.6 Ų60.646%0.46329%0.287SS..Hα-helixtrans-64.5-28.417900000112.3A277 I306 H307 D308A277-A310 HydrophobicContact CB-CB 4.04Å; I306-A310 WeakPolarHBondContact O-CB 3.39Å; I306-A310 PolarHBondContact O-N 3.4Å; H307-A310 PolarHBondContact O-N 3.44Å; D308-A310 VanDerWaalsContact C-N 3.34Å; D308-A310 PolarHBondContact O-N 3.27Å
311M96.2Very high96.7Very high124 Ų12462.1 Ų62.161%0.61130%0.3SS*.Hα-helixtrans-83.1-42178.3-170.7174-133.800112.8H307 D308 L309H307-M311 PolarHBondContact O-N 3.39Å; D308-M311 PolarHBondContact O-N 3.25Å; D308-M311 VanDerWaalsContact O-N 3.15Å; L309-M311 PolarHBondContact O-N 2.92Å
312Y96.1Very high96.9Very high144 Ų14457.6 Ų57.657%0.56528%0.279SS*.Hα-helixtrans-104.4-15.9-168.2-64.2-66.7000114.5Q161 D308 L309 R314Q161-Y312 PolarHBondContact NE2-O 2.8Å; D308-Y312 HydrophobicContact CB-CD2 4.11Å; D308-Y312 HydrophobicContact CB-CE2 4.37Å; D308-Y312 WeakPolarHBondContact O-CB 3.4Å; D308-Y312 WeakPolarHBondContact O-CD2 3.37Å; D308-Y312 PolarHBondContact O-N 3.47Å; L309-Y312 PolarHBondContact O-N 3.32Å; Y312-R314 PolarHBondContact O-N 3.31Å
313S97.8Very high97Very high1 Ų165.5 Ų65.51%0.00731%0.313CS..  trans-67.9125.3173.4-172.40000110.4F278 Q280 L309 I315F278-S313 WeakPolarHBondContact O-CB 3.45Å; F278-S313 PolarHBondContact O-OG 3.22Å; Q280-S313 PolarHBondContact NE2-O 3.44Å; L309-S313 WeakPolarHBondContact O-CB 3.36Å; L309-S313 PolarHBondContact O-N 3.08Å; S313-I315 WeakPolarHBondContact OG-CG2 3.44Å; S313-I315 PolarHBondContact OG-N 3.27Å
314R97.4Very high97Very high109 Ų10965.1 Ų65.141%0.41132%0.317SS..  trans-115.211.4172.1-66.4-174.8-70.1137.4-3.2111.1Q161 Y312 R316 S317 I318Q161-R314 PolarHBondContact O-NH2 2.9Å; Y312-R314 PolarHBondContact O-N 3.31Å; R314-R316 VanDerWaalsContact C-N 3.25Å; R314-R316 PolarHBondContact O-N 3.28Å; R314-R316 VanDerWaalsContact O-N 3.15Å; R314-S317 PolarHBondContact O-N 2.92Å; R314-S317 VanDerWaalsContact O-N 3.11Å; R314-S317 PolarHBondContact O-OG 3.3Å; R314-I318 HydrophobicContact CB-CD1 3.83Å; R314-I318 HydrophobicContact CB-CG1 4.11Å; R314-I318 VanDerWaalsContact O-CG1 3.27Å; R314-I318 WeakPolarHBondContact O-CG1 3.24Å; R314-I318 PolarHBondContact O-N 3.46Å
315I97.7Very high97.1Very high0 Ų064.7 Ų64.70%033%0.325CS..Hα-helixtrans-56.6-38.6-169.9-167.562.1000113I169 L173 F278 F279 S313 A319 M327 Y331I169-I315 HydrophobicContact CG2-CD1 3.15Å; L173-I315 HydrophobicContact CD1-CD1 4.26Å; L173-I315 HydrophobicContact CD2-CD1 4.34Å; L173-I315 HydrophobicContact CD2-CG1 4.21Å; F278-I315 HydrophobicContact CD2-CG2 4.41Å; F278-I315 HydrophobicContact CE1-CG1 4.23Å; F278-I315 HydrophobicContact CE1-CG2 4.37Å; F278-I315 HydrophobicContact CE2-CB 4.13Å; F278-I315 HydrophobicContact CE2-CG1 4.34Å; F278-I315 HydrophobicContact CE2-CG2 4.26Å; F278-I315 HydrophobicContact CZ-CB 4.08Å; F278-I315 HydrophobicContact CZ-CD1 4.22Å; F278-I315 HydrophobicContact CZ-CG1 3.8Å; F278-I315 HydrophobicContact CZ-CG2 4.25Å; F278-I315 WeakPolarHBondContact O-CG2 3.49Å; F279-I315 HydrophobicContact CD1-CG2 4.4Å; S313-I315 WeakPolarHBondContact OG-CG2 3.44Å; S313-I315 PolarHBondContact OG-N 3.27Å; I315-A319 WeakPolarHBondContact O-CB 3.13Å; I315-A319 PolarHBondContact O-N 3.15Å; I315-M327 HydrophobicContact CD1-CE 4.25Å; I315-Y331 HydrophobicContact CG1-CD2 4.26Å; I315-Y331 HydrophobicContact CG1-CE2 4.49Å; I315-Y331 HydrophobicContact CG2-CE2 4.23Å
316R96.5Very high97.1Very high77 Ų7767.5 Ų67.529%0.29133%0.334SS..Hα-helixtrans-66.9-45.7178.7179.8175-177.6-177.23.1111.9Q280 R314 A319 S320 Y331Q280-R316 HydrophobicContact CB-CB 4.41Å; R314-R316 VanDerWaalsContact C-N 3.25Å; R314-R316 PolarHBondContact O-N 3.28Å; R314-R316 VanDerWaalsContact O-N 3.15Å; R316-A319 PolarHBondContact O-N 3.41Å; R316-S320 VanDerWaalsContact O-CB 3.25Å; R316-S320 WeakPolarHBondContact O-CB 3.44Å; R316-S320 PolarHBondContact O-N 3.24Å; R316-Y331 HydrophobicContact CB-CE2 4.24Å; R316-Y331 WeakPolarHBondContact CB-OH 3.47Å; R316-Y331 VanDerWaalsContact CG-OH 3.31Å; R316-Y331 WeakPolarHBondContact CG-OH 3.25Å
317S96.7Very high97.1Very high43 Ų4367 Ų6730%0.30133%0.332SS..Hα-helixtrans-66.9-44.2178.361.50000110.8R314 A319 S320 E321R314-S317 PolarHBondContact O-N 2.92Å; R314-S317 VanDerWaalsContact O-N 3.11Å; R314-S317 PolarHBondContact O-OG 3.3Å; S317-A319 PolarHBondContact O-N 3.39Å; S317-S320 PolarHBondContact O-N 2.85Å; S317-E321 WeakPolarHBondContact O-CB 3.48Å; S317-E321 WeakPolarHBondContact O-CG 3.44Å; S317-E321 PolarHBondContact O-N 3.45Å
318I98Very high97.1Very high8 Ų865 Ų654%0.04132%0.32CS..Hα-helixtrans-58.4-48.8176-62.3165.5000110.2Q161 L164 E166 I169 R314 S320 E321 S322 M327Q161-I318 HydrophobicContact CB-CD1 4.01Å; Q161-I318 HydrophobicContact CG-CD1 3.76Å; L164-I318 HydrophobicContact CD1-CD1 3.89Å; L164-I318 HydrophobicContact CD1-CG1 4.21Å; L164-I318 HydrophobicContact CD1-CG2 3.67Å; E166-I318 HydrophobicContact CG-CG2 4.47Å; I169-I318 HydrophobicContact CD1-CD1 4.18Å; I169-I318 HydrophobicContact CD1-CG2 4.29Å; R314-I318 HydrophobicContact CB-CD1 3.83Å; R314-I318 HydrophobicContact CB-CG1 4.11Å; R314-I318 VanDerWaalsContact O-CG1 3.27Å; R314-I318 WeakPolarHBondContact O-CG1 3.24Å; R314-I318 PolarHBondContact O-N 3.46Å; I318-S320 VanDerWaalsContact C-N 3.33Å; I318-S320 PolarHBondContact O-N 3.26Å; I318-E321 PolarHBondContact O-N 2.83Å; I318-S322 VanDerWaalsContact O-CB 3.3Å; I318-S322 WeakPolarHBondContact O-CB 3.48Å; I318-S322 PolarHBondContact O-N 2.88Å; I318-M327 HydrophobicContact CB-CE 4.15Å; I318-M327 HydrophobicContact CG2-CE 3.42Å; I318-M327 VanDerWaalsContact CG2-CE 3.42Å; I318-M327 HydrophobicContact CG2-SD 4.22Å
319A97.6Very high97.2Very high0 Ų065.9 Ų65.90%033%0.327CS..Hα-helixtrans-65.6-36.1179.300000112.2I315 R316 S317 M327 R328 Y331 L393I315-A319 WeakPolarHBondContact O-CB 3.13Å; I315-A319 PolarHBondContact O-N 3.15Å; R316-A319 PolarHBondContact O-N 3.41Å; S317-A319 PolarHBondContact O-N 3.39Å; A319-M327 HydrophobicContact CB-CE 4.04Å; A319-R328 WeakPolarHBondContact O-CG 3.43Å; A319-R328 PolarHBondContact O-NH1 2.99Å; A319-Y331 HydrophobicContact CB-CD1 4.28Å; A319-Y331 HydrophobicContact CB-CD2 3.85Å; A319-Y331 HydrophobicContact CB-CE2 4.49Å; A319-Y331 HydrophobicContact CB-CG 3.74Å; A319-L393 VanDerWaalsContact C-CD1 3.48Å; A319-L393 HydrophobicContact CB-CD1 3.75Å; A319-L393 WeakPolarHBondContact O-CD1 3.35Å
320S96.5Very high97.2Very high64 Ų6465.4 Ų65.445%0.44833%0.325SS..Hα-helixtrans-66.5-36.8176.5-171.40000113R316 S317 I318 R328R316-S320 VanDerWaalsContact O-CB 3.25Å; R316-S320 WeakPolarHBondContact O-CB 3.44Å; R316-S320 PolarHBondContact O-N 3.24Å; S317-S320 PolarHBondContact O-N 2.85Å; I318-S320 VanDerWaalsContact C-N 3.33Å; I318-S320 PolarHBondContact O-N 3.26Å; S320-R328 PolarHBondContact O-NH1 3.29Å
321E96.9Very high97.3Very high153 Ų15362.8 Ų62.872%0.71530%0.303SS*.Hα-helixtrans-87.4-20.3-178.7-69167.3-160.200112.8S317 I318S317-E321 WeakPolarHBondContact O-CB 3.48Å; S317-E321 WeakPolarHBondContact O-CG 3.44Å; S317-E321 PolarHBondContact O-N 3.45Å; I318-E321 PolarHBondContact O-N 2.83Å
322S96.9Very high97.5Very high6 Ų658.9 Ų58.94%0.04229%0.285CS..  trans-63135.8179.9179.40000111.7E166 I318 S324E166-S322 WeakPolarHBondContact OE2-CB 3.38Å; E166-S322 PolarHBondContact OE2-OG 2.68Å; I318-S322 VanDerWaalsContact O-CB 3.3Å; I318-S322 WeakPolarHBondContact O-CB 3.48Å; I318-S322 PolarHBondContact O-N 2.88Å; S322-S324 VanDerWaalsContact C-N 3.27Å; S322-S324 VanDerWaalsContact OG-CB 3.3Å; S322-S324 WeakPolarHBondContact OG-CB 3.46Å; S322-S324 PolarHBondContact OG-N 3.03Å
323K96.3Very high97.6Very high211 Ų21156.3 Ų56.392%0.91728%0.278SS*.  trans-81-9.1171-63.5179.9-178.5175.90112.4S325K323-S325 PolarHBondContact O-N 3.12Å
324S97Very high97.6Very high36 Ų3656.3 Ų56.325%0.25228%0.278SS..  trans-76.2108.9-179.6179.30000110.3S322 R326 M327 R328S322-S324 VanDerWaalsContact C-N 3.27Å; S322-S324 VanDerWaalsContact OG-CB 3.3Å; S322-S324 WeakPolarHBondContact OG-CB 3.46Å; S322-S324 PolarHBondContact OG-N 3.03Å; S324-R326 PolarHBondContact O-N 3.48Å; S324-M327 PolarHBondContact O-N 2.9Å; S324-M327 PolarHBondContact OG-N 3.38Å; S324-R328 WeakPolarHBondContact O-CG 3.47Å; S324-R328 PolarHBondContact O-N 3.46Å; S324-R328 VanDerWaalsContact O-N 3.11Å
325S97Very high97.7Very high92 Ų9251.1 Ų51.164%0.64326%0.258SS*.Hα-helixtrans-58.7-32.317259.10000111.8K323 T329K323-S325 PolarHBondContact O-N 3.12Å; S325-T329 VanDerWaalsContact O-CB 3.26Å; S325-T329 WeakPolarHBondContact O-CB 3.45Å; S325-T329 PolarHBondContact O-N 3.29Å; S325-T329 PolarHBondContact O-OG1 2.86Å
326R98Very high97.7Very high112 Ų11254.7 Ų54.742%0.42328%0.275SS..Hα-helixtrans-61.6-49.7174.7-172.3-171.3166.2-158.5-5.1111.2T170 E174 S324 T329 A330T170-R326 HydrophobicContact CG2-CB 4.31Å; T170-R326 HydrophobicContact CG2-CG 3.62Å; E174-R326 WeakPolarHBondContact OE1-CG 3.39Å; E174-R326 IonicContact OE1-CZ 3.5Å; E174-R326 IonicContact OE1-NE 2.75Å; E174-R326 PolarHBondContact OE1-NE 3.03Å; E174-R326 IonicContact OE1-NH2 3.4Å; E174-R326 PolarHBondContact OE1-NH2 3.41Å; E174-R326 IonicContact OE2-CZ 3.64Å; E174-R326 IonicContact OE2-NE 3.68Å; E174-R326 IonicContact OE2-NH2 2.76Å; E174-R326 PolarHBondContact OE2-NH2 3.04Å; S324-R326 PolarHBondContact O-N 3.48Å; R326-T329 PolarHBondContact O-N 3.41Å; R326-A330 WeakPolarHBondContact O-CB 3.32Å; R326-A330 PolarHBondContact O-N 3.36Å
327M98Very high97.8Very high0 Ų051.9 Ų51.90%027%0.267CS..Hα-helixtrans-61.1-48.7178.7-173.1173.2178.200111.9E166 I169 T170 L173 I315 I318 A319 S324 T329 A330 Y331E166-M327 HydrophobicContact CB-SD 4.14Å; E166-M327 HydrophobicContact CG-SD 4.12Å; I169-M327 HydrophobicContact CB-CE 4.21Å; I169-M327 HydrophobicContact CG2-CE 3.43Å; I169-M327 VanDerWaalsContact CG2-CE 3.43Å; T170-M327 HydrophobicContact CG2-CB 4.46Å; T170-M327 VanDerWaalsContact OG1-CB 3.27Å; T170-M327 WeakPolarHBondContact OG1-CB 3.4Å; T170-M327 WeakPolarHBondContact OG1-CG 3.37Å; L173-M327 HydrophobicContact CD1-CG 4.38Å; I315-M327 HydrophobicContact CD1-CE 4.25Å; I318-M327 HydrophobicContact CB-CE 4.15Å; I318-M327 HydrophobicContact CG2-CE 3.42Å; I318-M327 VanDerWaalsContact CG2-CE 3.42Å; I318-M327 HydrophobicContact CG2-SD 4.22Å; A319-M327 HydrophobicContact CB-CE 4.04Å; S324-M327 PolarHBondContact O-N 2.9Å; S324-M327 PolarHBondContact OG-N 3.38Å; M327-T329 VanDerWaalsContact C-N 3.3Å; M327-T329 PolarHBondContact O-N 3.24Å; M327-A330 PolarHBondContact O-N 3.49Å; M327-Y331 WeakPolarHBondContact O-CB 3.4Å; M327-Y331 PolarHBondContact O-N 2.92Å
328R98.2Very high97.9Very high64 Ų6449.9 Ų49.924%0.24225%0.253CS..Hα-helixtrans-59-43.2178.5-65.8178.170.687-2.6111.7A319 S320 S324 Y331 N332 L393 D394A319-R328 WeakPolarHBondContact O-CG 3.43Å; A319-R328 PolarHBondContact O-NH1 2.99Å; S320-R328 PolarHBondContact O-NH1 3.29Å; S324-R328 WeakPolarHBondContact O-CG 3.47Å; S324-R328 PolarHBondContact O-N 3.46Å; S324-R328 VanDerWaalsContact O-N 3.11Å; R328-Y331 PolarHBondContact O-N 2.98Å; R328-N332 PolarHBondContact O-N 3.3Å; R328-L393 HydrophobicContact CB-CD1 4.28Å; R328-L393 HydrophobicContact CG-CD1 4.12Å; R328-D394 PolarHBondContact NH2-O 2.74Å
329T98.4Very high97.9Very high73 Ų7351.9 Ų51.945%0.44826%0.26SS..Hα-helixtrans-62.9-48.6177.1-600000111.2S325 R326 M327 Y331 N332 Q333S325-T329 VanDerWaalsContact O-CB 3.26Å; S325-T329 WeakPolarHBondContact O-CB 3.45Å; S325-T329 PolarHBondContact O-N 3.29Å; S325-T329 PolarHBondContact O-OG1 2.86Å; R326-T329 PolarHBondContact O-N 3.41Å; M327-T329 VanDerWaalsContact C-N 3.3Å; M327-T329 PolarHBondContact O-N 3.24Å; T329-Y331 VanDerWaalsContact C-N 3.33Å; T329-Y331 PolarHBondContact O-N 2.93Å; T329-N332 PolarHBondContact O-N 3.47Å; T329-Q333 HydrophobicContact CG2-CG 4.36Å; T329-Q333 WeakPolarHBondContact O-CB 3.42Å; T329-Q333 VanDerWaalsContact O-CG 3.25Å; T329-Q333 WeakPolarHBondContact O-CG 3.4Å; T329-Q333 PolarHBondContact O-N 2.76Å
330A98.5Very high97.9Very high1 Ų154 Ų541%0.00827%0.271CS..Hα-helixtrans-62.2-40179.500000112.2L173 E174 R326 M327 Q333 C334L173-A330 HydrophobicContact CB-CB 3.75Å; L173-A330 HydrophobicContact CD1-CB 4.44Å; E174-A330 HydrophobicContact CG-CB 3.85Å; R326-A330 WeakPolarHBondContact O-CB 3.32Å; R326-A330 PolarHBondContact O-N 3.36Å; M327-A330 PolarHBondContact O-N 3.49Å; A330-Q333 PolarHBondContact O-N 3.05Å; A330-C334 PolarHBondContact O-N 3.18Å; A330-C334 PolarHBondContact O-SG 3.23Å
331Y98.6Very high98Very high0 Ų051.7 Ų51.70%025%0.253CS..Hα-helixtrans-61.5-50.5174.7175.4-91.2000111.8F279 I315 R316 A319 M327 R328 T329 Q333 C334 L335 A391 L393F279-Y331 HydrophobicContact CD1-CD2 4.23Å; F279-Y331 AromaticContact CD1-CE2 3.89Å; F279-Y331 HydrophobicContact CD1-CE2 3.89Å; F279-Y331 PolarHBondContact O-OH 3.33Å; I315-Y331 HydrophobicContact CG1-CD2 4.26Å; I315-Y331 HydrophobicContact CG1-CE2 4.49Å; I315-Y331 HydrophobicContact CG2-CE2 4.23Å; R316-Y331 HydrophobicContact CB-CE2 4.24Å; R316-Y331 WeakPolarHBondContact CB-OH 3.47Å; R316-Y331 VanDerWaalsContact CG-OH 3.31Å; R316-Y331 WeakPolarHBondContact CG-OH 3.25Å; A319-Y331 HydrophobicContact CB-CD1 4.28Å; A319-Y331 HydrophobicContact CB-CD2 3.85Å; A319-Y331 HydrophobicContact CB-CE2 4.49Å; A319-Y331 HydrophobicContact CB-CG 3.74Å; M327-Y331 WeakPolarHBondContact O-CB 3.4Å; M327-Y331 PolarHBondContact O-N 2.92Å; R328-Y331 PolarHBondContact O-N 2.98Å; T329-Y331 VanDerWaalsContact C-N 3.33Å; T329-Y331 PolarHBondContact O-N 2.93Å; Y331-Q333 VanDerWaalsContact C-N 3.3Å; Y331-Q333 PolarHBondContact O-N 3.22Å; Y331-C334 WeakPolarHBondContact O-CB 3.46Å; Y331-C334 PolarHBondContact O-N 2.9Å; Y331-C334 VanDerWaalsContact O-N 3.12Å; Y331-L335 HydrophobicContact CD1-CD1 4.22Å; Y331-L335 HydrophobicContact CE1-CD1 3.5Å; Y331-L335 HydrophobicContact CE1-CG 4.33Å; Y331-L335 PolarHBondContact O-N 3.4Å; Y331-A391 WeakPolarHBondContact CE1-O 3.33Å; Y331-A391 PolarHBondContact OH-O 3.45Å; Y331-A391 VanDerWaalsContact OH-O 3.07Å; Y331-L393 HydrophobicContact CD1-CD1 3.77Å; Y331-L393 HydrophobicContact CD1-CD2 4.47Å; Y331-L393 HydrophobicContact CD1-CG 3.7Å; Y331-L393 HydrophobicContact CE1-CD1 4.25Å; Y331-L393 HydrophobicContact CE1-CD2 4.11Å; Y331-L393 HydrophobicContact CE1-CG 3.76Å; Y331-L393 HydrophobicContact CG-CD1 4.42Å
332N98.5Very high98.1Very high43 Ų4345.1 Ų45.123%0.2322%0.222CC..Hα-helixtrans-63.2-36.3177.9-79.3-6.6000112.1R328 T329 C334 L335 Q336 S392 L393R328-N332 PolarHBondContact O-N 3.3Å; T329-N332 PolarHBondContact O-N 3.47Å; N332-C334 VanDerWaalsContact C-N 3.33Å; N332-C334 PolarHBondContact O-N 3.41Å; N332-L335 PolarHBondContact O-N 3.48Å; N332-Q336 PolarHBondContact O-N 2.86Å; N332-S392 WeakPolarHBondContact OD1-CA 3.44Å; N332-L393 PolarHBondContact ND2-O 3.43Å; N332-L393 PolarHBondContact OD1-N 2.97Å
333Q98.7Very high98.1Very high90 Ų9047.2 Ų47.242%0.42123%0.233SC..Hα-helixtrans-65-33.4174.3-74.6174.4-15.100112.9V177 T329 A330 Y331 Q336 S337V177-Q333 HydrophobicContact CG1-CB 4.35Å; V177-Q333 HydrophobicContact CG2-CB 3.61Å; T329-Q333 HydrophobicContact CG2-CG 4.36Å; T329-Q333 WeakPolarHBondContact O-CB 3.42Å; T329-Q333 VanDerWaalsContact O-CG 3.25Å; T329-Q333 WeakPolarHBondContact O-CG 3.4Å; T329-Q333 PolarHBondContact O-N 2.76Å; A330-Q333 PolarHBondContact O-N 3.05Å; Y331-Q333 VanDerWaalsContact C-N 3.3Å; Y331-Q333 PolarHBondContact O-N 3.22Å; Q333-Q336 PolarHBondContact O-N 3.09Å; Q333-S337 WeakPolarHBondContact O-CB 3.25Å; Q333-S337 PolarHBondContact O-N 3.32Å; Q333-S337 PolarHBondContact O-OG 3.06Å
334C98.7Very high98.1Very high0 Ų038.3 Ų38.30%020%0.199CC..Hα-helixtrans-62.8-46.7172.4-71.10000111.3L173 F279 A330 Y331 N332 Q336 S337 L338L173-C334 PolarHBondContact O-SG 3.06Å; F279-C334 HydrophobicContact CD1-CB 4.47Å; F279-C334 HydrophobicContact CE1-CB 3.53Å; F279-C334 HydrophobicContact CE2-CB 4.14Å; F279-C334 HydrophobicContact CZ-CB 3.35Å; A330-C334 PolarHBondContact O-N 3.18Å; A330-C334 PolarHBondContact O-SG 3.23Å; Y331-C334 WeakPolarHBondContact O-CB 3.46Å; Y331-C334 PolarHBondContact O-N 2.9Å; Y331-C334 VanDerWaalsContact O-N 3.12Å; N332-C334 VanDerWaalsContact C-N 3.33Å; N332-C334 PolarHBondContact O-N 3.41Å; C334-Q336 VanDerWaalsContact C-N 3.34Å; C334-Q336 PolarHBondContact O-N 3.26Å; C334-S337 WeakPolarHBondContact O-CA 3.42Å; C334-S337 WeakPolarHBondContact O-CB 3.42Å; C334-S337 PolarHBondContact O-N 3.47Å; C334-S337 VanDerWaalsContact O-N 3.1Å; C334-L338 PolarHBondContact O-N 3.38Å
335L98.6Very high98.1Very high0 Ų039.4 Ų39.40%020%0.2CC..Hα-helixtrans-64.1-39.5177.8-67.5177.6000112.1F279 V281 Y331 N332 S337 L338 W339 S388 A391 S392F279-L335 HydrophobicContact CB-CD2 3.74Å; F279-L335 HydrophobicContact CD1-CD2 4.41Å; F279-L335 HydrophobicContact CD2-CD2 4.32Å; F279-L335 HydrophobicContact CG-CD2 3.92Å; V281-L335 HydrophobicContact CG2-CD2 4.18Å; Y331-L335 HydrophobicContact CD1-CD1 4.22Å; Y331-L335 HydrophobicContact CE1-CD1 3.5Å; Y331-L335 HydrophobicContact CE1-CG 4.33Å; Y331-L335 PolarHBondContact O-N 3.4Å; N332-L335 PolarHBondContact O-N 3.48Å; L335-S337 VanDerWaalsContact C-N 3.29Å; L335-S337 PolarHBondContact O-N 3.21Å; L335-L338 PolarHBondContact O-N 2.98Å; L335-W339 WeakPolarHBondContact O-CB 3.33Å; L335-W339 PolarHBondContact O-N 2.95Å; L335-S388 WeakPolarHBondContact CD2-O 3.3Å; L335-A391 HydrophobicContact CD1-CB 3.77Å; L335-A391 WeakPolarHBondContact CD1-O 3.23Å; L335-A391 HydrophobicContact CD2-CB 4.1Å; L335-S392 VanDerWaalsContact CD1-N 3.33Å
336Q98.6Very high98Very high76 Ų7635.4 Ų35.436%0.35517%0.171SC..Hα-helixtrans-62.5-37.7172.1-173.959.760.100111.9N332 Q333 C334 W339 N340N332-Q336 PolarHBondContact O-N 2.86Å; Q333-Q336 PolarHBondContact O-N 3.09Å; C334-Q336 VanDerWaalsContact C-N 3.34Å; C334-Q336 PolarHBondContact O-N 3.26Å; Q336-W339 PolarHBondContact O-N 3.42Å; Q336-N340 PolarHBondContact NE2-OD1 3.29Å; Q336-N340 VanDerWaalsContact O-CB 3.29Å; Q336-N340 WeakPolarHBondContact O-CB 3.18Å; Q336-N340 PolarHBondContact O-N 2.76Å; Q336-N340 PolarHBondContact O-ND2 2.98Å; Q336-N340 VanDerWaalsContact O-ND2 3.14Å
337S98.6Very high97.9Very high18 Ų1832.3 Ų32.313%0.12617%0.167CC..Hα-helixtrans-67.3-41.5176.6-62.30000112Q333 C334 L335 N340 F341Q333-S337 WeakPolarHBondContact O-CB 3.25Å; Q333-S337 PolarHBondContact O-N 3.32Å; Q333-S337 PolarHBondContact O-OG 3.06Å; C334-S337 WeakPolarHBondContact O-CA 3.42Å; C334-S337 WeakPolarHBondContact O-CB 3.42Å; C334-S337 PolarHBondContact O-N 3.47Å; C334-S337 VanDerWaalsContact O-N 3.1Å; L335-S337 VanDerWaalsContact C-N 3.29Å; L335-S337 PolarHBondContact O-N 3.21Å; S337-N340 WeakPolarHBondContact O-CB 3.47Å; S337-N340 PolarHBondContact O-N 3.4Å; S337-F341 PolarHBondContact O-N 3.3Å
338L98.5Very high97.8Very high0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-62.5-45.7172.8-178.861.5000111.7F180 I272 C275 V281 C334 L335 N340 F341 R342F180-L338 HydrophobicContact CE1-CD1 4.36Å; F180-L338 HydrophobicContact CZ-CB 4.2Å; F180-L338 HydrophobicContact CZ-CD1 4.09Å; I272-L338 HydrophobicContact CD1-CD1 3.86Å; I272-L338 HydrophobicContact CG2-CD1 4.28Å; C275-L338 HydrophobicContact CB-CD1 3.95Å; C275-L338 HydrophobicContact CB-CD2 4.09Å; V281-L338 HydrophobicContact CG2-CD2 4.31Å; C334-L338 PolarHBondContact O-N 3.38Å; L335-L338 PolarHBondContact O-N 2.98Å; L338-N340 VanDerWaalsContact C-N 3.32Å; L338-N340 PolarHBondContact O-N 2.75Å; L338-F341 PolarHBondContact O-N 2.94Å; L338-R342 WeakPolarHBondContact O-CG 3.35Å; L338-R342 PolarHBondContact O-N 2.96Å
339W98.3Very high97.6Very high50 Ų5030.5 Ų30.519%0.18916%0.162CC..Hα-helixtrans-58.2-45.9174.2-174.9100.6000111L335 Q336 F341 R342 N343 R385 D386 L389L335-W339 WeakPolarHBondContact O-CB 3.33Å; L335-W339 PolarHBondContact O-N 2.95Å; Q336-W339 PolarHBondContact O-N 3.42Å; W339-F341 VanDerWaalsContact C-N 3.34Å; W339-F341 PolarHBondContact O-N 3.46Å; W339-R342 PolarHBondContact O-N 3.5Å; W339-N343 HydrophobicContact CE3-CB 4.07Å; W339-N343 HydrophobicContact CH2-CB 4.03Å; W339-N343 HydrophobicContact CZ3-CB 3.74Å; W339-N343 WeakPolarHBondContact O-CB 3.47Å; W339-N343 PolarHBondContact O-N 3.21Å; W339-R385 HydrophobicContact CD2-CG 4.06Å; W339-R385 VanDerWaalsContact CE2-CD 3.45Å; W339-R385 HydrophobicContact CG-CG 3.98Å; W339-R385 HydrophobicContact CZ2-CG 4.4Å; W339-D386 PolarHBondContact NE1-OD1 3.46Å; W339-D386 VanDerWaalsContact NE1-OD1 3.15Å; W339-L389 HydrophobicContact CB-CD1 4.36Å; W339-L389 HydrophobicContact CB-CD2 4.18Å; W339-L389 HydrophobicContact CB-CG 3.98Å; W339-L389 VanDerWaalsContact CD1-CD1 3.45Å; W339-L389 VanDerWaalsContact CD1-CG 3.5Å; W339-L389 HydrophobicContact CD2-CD1 4.25Å; W339-L389 HydrophobicContact CG-CD1 3.78Å; W339-L389 HydrophobicContact CG-CD2 4.47Å; W339-L389 HydrophobicContact CG-CG 3.84Å
340N98.3Very high97.3Very high44 Ų4431.9 Ų31.924%0.23516%0.162CC..Hα-helixtrans-61.6-40.7178.9-76.3-26000112.2Q336 S337 L338 N343 A344Q336-N340 PolarHBondContact NE2-OD1 3.29Å; Q336-N340 VanDerWaalsContact O-CB 3.29Å; Q336-N340 WeakPolarHBondContact O-CB 3.18Å; Q336-N340 PolarHBondContact O-N 2.76Å; Q336-N340 PolarHBondContact O-ND2 2.98Å; Q336-N340 VanDerWaalsContact O-ND2 3.14Å; S337-N340 WeakPolarHBondContact O-CB 3.47Å; S337-N340 PolarHBondContact O-N 3.4Å; L338-N340 VanDerWaalsContact C-N 3.32Å; L338-N340 PolarHBondContact O-N 2.75Å; N340-N343 PolarHBondContact O-N 2.95Å; N340-A344 WeakPolarHBondContact O-CB 3.25Å; N340-A344 PolarHBondContact O-N 3.43Å
341F98.1Very high97.2Very high16 Ų1637 Ų377%0.0718%0.181CC..Hα-helixtrans-62.1-49.9174.3-178.1-83000111F180 F183 R184 L187 I272 S337 L338 W339 N343 A344 H345F180-F341 HydrophobicContact CD1-CB 4.43Å; F180-F341 HydrophobicContact CE1-CB 4.26Å; F183-F341 AromaticContact CD1-CD2 3.75Å; F183-F341 HydrophobicContact CD1-CD2 3.75Å; F183-F341 AromaticContact CD1-CE2 3.66Å; F183-F341 HydrophobicContact CD1-CE2 3.66Å; F183-F341 HydrophobicContact CD1-CZ 4.41Å; F183-F341 AromaticContact CD2-CE2 3.75Å; F183-F341 HydrophobicContact CD2-CE2 3.75Å; F183-F341 HydrophobicContact CD2-CZ 4.42Å; F183-F341 AromaticContact CE1-CD2 3.8Å; F183-F341 HydrophobicContact CE1-CD2 3.8Å; F183-F341 HydrophobicContact CE1-CE1 4.33Å; F183-F341 AromaticContact CE1-CE2 3.47Å; F183-F341 HydrophobicContact CE1-CE2 3.47Å; F183-F341 VanDerWaalsContact CE1-CE2 3.47Å; F183-F341 HydrophobicContact CE1-CG 4.35Å; F183-F341 AromaticContact CE1-CZ 3.76Å; F183-F341 HydrophobicContact CE1-CZ 3.76Å; F183-F341 AromaticContact CE2-CE2 3.56Å; F183-F341 HydrophobicContact CE2-CE2 3.56Å; F183-F341 AromaticContact CE2-CZ 3.76Å; F183-F341 HydrophobicContact CE2-CZ 3.76Å; F183-F341 HydrophobicContact CG-CD2 4.13Å; F183-F341 AromaticContact CG-CE2 3.8Å; F183-F341 HydrophobicContact CG-CE2 3.8Å; F183-F341 HydrophobicContact CZ-CD2 4.22Å; F183-F341 HydrophobicContact CZ-CE1 4.19Å; F183-F341 AromaticContact CZ-CE2 3.42Å; F183-F341 HydrophobicContact CZ-CE2 3.42Å; F183-F341 VanDerWaalsContact CZ-CE2 3.42Å; F183-F341 AromaticContact CZ-CZ 3.39Å; F183-F341 HydrophobicContact CZ-CZ 3.39Å; R184-F341 HydrophobicContact CB-CD2 4.18Å; L187-F341 HydrophobicContact CD1-CD1 4.37Å; L187-F341 HydrophobicContact CD1-CD2 3.88Å; L187-F341 HydrophobicContact CD1-CE1 4.08Å; L187-F341 HydrophobicContact CD1-CE2 3.56Å; L187-F341 HydrophobicContact CD1-CG 4.27Å; L187-F341 HydrophobicContact CD1-CZ 3.68Å; L187-F341 HydrophobicContact CD2-CE2 4.25Å; L187-F341 HydrophobicContact CD2-CZ 4Å; L187-F341 HydrophobicContact CG-CD2 4.46Å; L187-F341 HydrophobicContact CG-CE2 3.78Å; L187-F341 HydrophobicContact CG-CZ 4Å; I272-F341 HydrophobicContact CD1-CD1 3.52Å; I272-F341 HydrophobicContact CD1-CE1 3.55Å; I272-F341 HydrophobicContact CD1-CG 4.27Å; I272-F341 HydrophobicContact CD1-CZ 4.32Å; I272-F341 HydrophobicContact CG1-CD1 4.27Å; I272-F341 HydrophobicContact CG1-CE1 3.91Å; S337-F341 PolarHBondContact O-N 3.3Å; L338-F341 PolarHBondContact O-N 2.94Å; W339-F341 VanDerWaalsContact C-N 3.34Å; W339-F341 PolarHBondContact O-N 3.46Å; F341-N343 VanDerWaalsContact C-N 3.28Å; F341-N343 PolarHBondContact O-N 2.99Å; F341-A344 WeakPolarHBondContact O-CB 3.47Å; F341-A344 PolarHBondContact O-N 2.93Å; F341-A344 VanDerWaalsContact O-N 3.11Å; F341-H345 PolarHBondContact O-N 3.47Å
342R97.5Very high96.9Very high15 Ų1537.6 Ų37.66%0.05718%0.184CC..Hα-helixtrans-59.6-39177.5-72.4178.9171.6166.80.8112.1D276 H283 L338 W339 H345 I346 V384 R385 S388D276-R342 IonicContact OD1-CZ 3.71Å; D276-R342 IonicContact OD1-NH1 3.84Å; D276-R342 PolarHBondContact OD1-NH1 3.5Å; D276-R342 IonicContact OD1-NH2 3.48Å; D276-R342 PolarHBondContact OD1-NH2 2.83Å; D276-R342 IonicContact OD2-CZ 3.51Å; D276-R342 IonicContact OD2-NH2 3.47Å; D276-R342 PolarHBondContact OD2-NH2 3.48Å; H283-R342 PolarHBondContact CE1-NH1 3.42Å; L338-R342 WeakPolarHBondContact O-CG 3.35Å; L338-R342 PolarHBondContact O-N 2.96Å; W339-R342 PolarHBondContact O-N 3.5Å; R342-H345 PolarHBondContact O-N 3.27Å; R342-I346 WeakPolarHBondContact O-CG1 3.33Å; R342-I346 PolarHBondContact O-N 2.93Å; R342-V384 PolarHBondContact NH1-O 3.43Å; R342-R385 HydrophobicContact CB-CB 3.92Å; R342-R385 HydrophobicContact CB-CG 3.83Å; R342-S388 WeakPolarHBondContact CD-OG 3.35Å; R342-S388 PolarHBondContact NH1-OG 2.88Å
343N97.3Very high96.6Very high50 Ų5036.4 Ų36.427%0.26718%0.177SC..Hα-helixtrans-66.8-37.5176-16258.2000112.7W339 N340 F341 I346 S347 R385W339-N343 HydrophobicContact CE3-CB 4.07Å; W339-N343 HydrophobicContact CH2-CB 4.03Å; W339-N343 HydrophobicContact CZ3-CB 3.74Å; W339-N343 WeakPolarHBondContact O-CB 3.47Å; W339-N343 PolarHBondContact O-N 3.21Å; N340-N343 PolarHBondContact O-N 2.95Å; F341-N343 VanDerWaalsContact C-N 3.28Å; F341-N343 PolarHBondContact O-N 2.99Å; N343-I346 PolarHBondContact O-N 3.46Å; N343-S347 PolarHBondContact O-N 3.32Å; N343-S347 VanDerWaalsContact O-N 3.15Å; N343-S347 PolarHBondContact O-OG 3.37Å; N343-S347 VanDerWaalsContact O-OG 3.05Å; N343-R385 HydrophobicContact CB-CG 4.48Å; N343-R385 WeakPolarHBondContact OD1-CD 3.39Å; N343-R385 PolarHBondContact OD1-NH1 3.29Å
344A97.5Very high96.2Very high25 Ų2533.7 Ų33.721%0.20717%0.165CC..Hα-helixtrans-65.3-40.9172.500000111.6R184 L187 N340 F341 S347 L348R184-A344 HydrophobicContact CG-CB 4.15Å; L187-A344 HydrophobicContact CD1-CB 3.95Å; N340-A344 WeakPolarHBondContact O-CB 3.25Å; N340-A344 PolarHBondContact O-N 3.43Å; F341-A344 WeakPolarHBondContact O-CB 3.47Å; F341-A344 PolarHBondContact O-N 2.93Å; F341-A344 VanDerWaalsContact O-N 3.11Å; A344-S347 WeakPolarHBondContact O-CB 3.47Å; A344-S347 PolarHBondContact O-N 2.64Å; A344-S347 VanDerWaalsContact O-N 3.12Å; A344-L348 PolarHBondContact O-N 3.22Å
345H95.6Very high95.8Very high59 Ų5937.9 Ų37.927%0.27318%0.184SC..Hα-helixtrans-63.6-40.2174179.3-101.5000112.5L187 F341 R342 S347 L348 V349L187-H345 HydrophobicContact CD1-CB 4.29Å; F341-H345 PolarHBondContact O-N 3.47Å; R342-H345 PolarHBondContact O-N 3.27Å; H345-S347 PolarHBondContact O-N 3.24Å; H345-L348 WeakPolarHBondContact O-CA 3.37Å; H345-L348 WeakPolarHBondContact O-CB 3.35Å; H345-L348 PolarHBondContact O-N 3.02Å; H345-L348 VanDerWaalsContact O-N 3.08Å; H345-V349 WeakPolarHBondContact O-CG2 3.47Å; H345-V349 PolarHBondContact O-N 2.71Å
346I95.5Very high95.5Very high8 Ų838.1 Ų38.14%0.04119%0.186CC..Hα-helixtrans-56.7-39.9171.5-72.1169.4000111R342 N343 L348 V349 K350 L381 Q382 R385R342-I346 WeakPolarHBondContact O-CG1 3.33Å; R342-I346 PolarHBondContact O-N 2.93Å; N343-I346 PolarHBondContact O-N 3.46Å; I346-L348 VanDerWaalsContact C-N 3.33Å; I346-V349 PolarHBondContact O-N 2.85Å; I346-K350 HydrophobicContact CG2-CD 4.48Å; I346-K350 WeakPolarHBondContact O-CG 3.41Å; I346-K350 PolarHBondContact O-N 3.03Å; I346-L381 HydrophobicContact CD1-CB 3.98Å; I346-L381 HydrophobicContact CG1-CB 3.64Å; I346-L381 HydrophobicContact CG1-CD1 4.23Å; I346-L381 HydrophobicContact CG1-CG 4.49Å; I346-Q382 HydrophobicContact CD1-CG 4.45Å; I346-R385 HydrophobicContact CD1-CB 4.09Å; I346-R385 HydrophobicContact CD1-CG 4.46Å
347S96.2Very high95Very high47 Ų4735.6 Ų35.633%0.32918%0.177SC..Hα-helixtrans-65.6-37.1177.6-550000111.8Y191 N343 A344 H345 K350 R351Y191-S347 VanDerWaalsContact OH-C 3.32Å; N343-S347 PolarHBondContact O-N 3.32Å; N343-S347 VanDerWaalsContact O-N 3.15Å; N343-S347 PolarHBondContact O-OG 3.37Å; N343-S347 VanDerWaalsContact O-OG 3.05Å; A344-S347 WeakPolarHBondContact O-CB 3.47Å; A344-S347 PolarHBondContact O-N 2.64Å; A344-S347 VanDerWaalsContact O-N 3.12Å; H345-S347 PolarHBondContact O-N 3.24Å; S347-K350 WeakPolarHBondContact O-CB 3.33Å; S347-K350 PolarHBondContact O-N 2.95Å; S347-R351 PolarHBondContact O-N 2.8Å; S347-R351 VanDerWaalsContact O-N 3.08Å
348L95.5Very high94.5Very high13 Ų1342.1 Ų42.17%0.06821%0.205CC..Hα-helixtrans-63.3-47.9170.4-74.4173.7000111.5L187 F190 Y191 A344 H345 I346 K350 R351 F352L187-L348 HydrophobicContact CB-CD1 3.82Å; L187-L348 HydrophobicContact CD1-CD1 4.45Å; L187-L348 HydrophobicContact CD2-CD1 3.77Å; L187-L348 HydrophobicContact CG-CD1 4.22Å; F190-L348 HydrophobicContact CB-CD2 3.72Å; F190-L348 HydrophobicContact CD2-CD1 4.39Å; F190-L348 HydrophobicContact CG-CD2 4.42Å; Y191-L348 HydrophobicContact CD1-CD2 4.44Å; Y191-L348 HydrophobicContact CD2-CD2 4.27Å; Y191-L348 HydrophobicContact CE1-CD2 3.9Å; Y191-L348 HydrophobicContact CE2-CD2 3.68Å; Y191-L348 HydrophobicContact CE2-CG 4.37Å; Y191-L348 VanDerWaalsContact CZ-CD2 3.47Å; Y191-L348 PolarHBondContact OH-N 3.49Å; A344-L348 PolarHBondContact O-N 3.22Å; H345-L348 WeakPolarHBondContact O-CA 3.37Å; H345-L348 WeakPolarHBondContact O-CB 3.35Å; H345-L348 PolarHBondContact O-N 3.02Å; H345-L348 VanDerWaalsContact O-N 3.08Å; I346-L348 VanDerWaalsContact C-N 3.33Å; L348-K350 PolarHBondContact O-N 3.37Å; L348-R351 CarbonylContact O-C 3.59Å; L348-R351 WeakPolarHBondContact O-CA 3.39Å; L348-R351 PolarHBondContact O-N 2.93Å; L348-F352 HydrophobicContact CB-CD2 4.3Å; L348-F352 HydrophobicContact CD2-CD2 3.88Å; L348-F352 HydrophobicContact CD2-CE2 3.54Å; L348-F352 WeakPolarHBondContact O-CB 3.24Å; L348-F352 VanDerWaalsContact O-CD2 3.3Å; L348-F352 WeakPolarHBondContact O-CD2 3.5Å; L348-F352 PolarHBondContact O-N 3.09Å
349V93.5Very high94Very high13 Ų1346.8 Ų46.88%0.07924%0.238CC..Hα-helixtrans-57.3-40.1177.6169.70000111.2H345 I346 R351 I353 I354 L377 L381H345-V349 WeakPolarHBondContact O-CG2 3.47Å; H345-V349 PolarHBondContact O-N 2.71Å; I346-V349 PolarHBondContact O-N 2.85Å; V349-R351 PolarHBondContact O-N 3.47Å; V349-I353 HydrophobicContact CG1-CB 4.45Å; V349-I353 HydrophobicContact CG1-CD1 4.27Å; V349-I353 WeakPolarHBondContact O-CA 3.44Å; V349-I353 WeakPolarHBondContact O-CB 3.47Å; V349-I353 PolarHBondContact O-N 3.37Å; V349-I354 PolarHBondContact O-N 3.26Å; V349-L377 HydrophobicContact CG1-CB 4.36Å; V349-L377 HydrophobicContact CG1-CD1 3.95Å; V349-L377 HydrophobicContact CG1-CD2 4.32Å; V349-L377 HydrophobicContact CG1-CG 4.45Å; V349-L381 HydrophobicContact CB-CD1 4.03Å; V349-L381 HydrophobicContact CG1-CD1 3.86Å; V349-L381 HydrophobicContact CG2-CD1 3.79Å
350K93.3Very high93.4Very high101 Ų10145.2 Ų45.244%0.43924%0.235SC..Iπ-helixtrans-59.3-46.7172.6-73.4175.3-180-176.40111.8I346 S347 L348 I354 Q355I346-K350 HydrophobicContact CG2-CD 4.48Å; I346-K350 WeakPolarHBondContact O-CG 3.41Å; I346-K350 PolarHBondContact O-N 3.03Å; S347-K350 WeakPolarHBondContact O-CB 3.33Å; S347-K350 PolarHBondContact O-N 2.95Å; L348-K350 PolarHBondContact O-N 3.37Å; K350-I354 HydrophobicContact CG-CD1 3.99Å; K350-I354 PolarHBondContact O-N 3.07Å; K350-Q355 WeakPolarHBondContact O-CB 3.45Å; K350-Q355 WeakPolarHBondContact O-CG 3.41Å; K350-Q355 PolarHBondContact O-N 3.44Å
351R95.1Very high92.6Very high110 Ų11050.4 Ų50.442%0.41526%0.258SS..Iπ-helixtrans-69.6-38.3-178.4178.356.7178.9161.63.6113.9Y191 S347 L348 V349 P356Y191-R351 HydrophobicContact CD1-CG 4.06Å; Y191-R351 HydrophobicContact CE1-CB 3.91Å; Y191-R351 HydrophobicContact CE1-CG 3.9Å; S347-R351 PolarHBondContact O-N 2.8Å; S347-R351 VanDerWaalsContact O-N 3.08Å; L348-R351 CarbonylContact O-C 3.59Å; L348-R351 WeakPolarHBondContact O-CA 3.39Å; L348-R351 PolarHBondContact O-N 2.93Å; V349-R351 PolarHBondContact O-N 3.47Å; R351-P356 VanDerWaalsContact O-CD 3.25Å; R351-P356 WeakPolarHBondContact O-CD 3.39Å
352F94.1Very high91.9Very high12 Ų1250 Ų505%0.05326%0.259CS..Iπ-helixtrans-103-12.7-168.9-73.2-81.2000113.8F190 Y191 L194 F199 L348F190-F352 HydrophobicContact CB-CE2 4.13Å; F190-F352 HydrophobicContact CB-CZ 4.22Å; Y191-F352 HydrophobicContact CD1-CE2 4.44Å; L194-F352 HydrophobicContact CB-CE1 3.66Å; L194-F352 HydrophobicContact CB-CZ 3.98Å; L194-F352 HydrophobicContact CD2-CD1 3.73Å; L194-F352 HydrophobicContact CD2-CE1 3.55Å; L194-F352 HydrophobicContact CD2-CZ 4.19Å; L194-F352 HydrophobicContact CG-CD1 4.05Å; L194-F352 HydrophobicContact CG-CE1 3.51Å; L194-F352 HydrophobicContact CG-CZ 4.27Å; L194-F352 WeakPolarHBondContact O-CE1 3.44Å; F199-F352 HydrophobicContact CB-CD1 4.43Å; F199-F352 HydrophobicContact CD1-CB 3.89Å; F199-F352 HydrophobicContact CD1-CD1 4.32Å; F199-F352 WeakPolarHBondContact CD1-O 3.46Å; F199-F352 HydrophobicContact CE1-CB 4.08Å; L348-F352 HydrophobicContact CB-CD2 4.3Å; L348-F352 HydrophobicContact CD2-CD2 3.88Å; L348-F352 HydrophobicContact CD2-CE2 3.54Å; L348-F352 WeakPolarHBondContact O-CB 3.24Å; L348-F352 VanDerWaalsContact O-CD2 3.3Å; L348-F352 WeakPolarHBondContact O-CD2 3.5Å; L348-F352 PolarHBondContact O-N 3.09Å
353I91.1Very high91.2Very high18 Ų1854.1 Ų54.19%0.09228%0.277CS..Iπ-helixtrans-123.4-60.4177.9-60.7174.6000111.1F199 Y200 V349 S357 L377F199-I353 HydrophobicContact CE1-CG1 4.23Å; Y200-I353 HydrophobicContact CD2-CG2 4.46Å; Y200-I353 HydrophobicContact CE2-CG2 4.28Å; Y200-I353 WeakPolarHBondContact CE2-O 3.24Å; V349-I353 HydrophobicContact CG1-CB 4.45Å; V349-I353 HydrophobicContact CG1-CD1 4.27Å; V349-I353 WeakPolarHBondContact O-CA 3.44Å; V349-I353 WeakPolarHBondContact O-CB 3.47Å; V349-I353 PolarHBondContact O-N 3.37Å; I353-S357 VanDerWaalsContact O-CB 3.31Å; I353-S357 WeakPolarHBondContact O-CB 3.43Å; I353-S357 PolarHBondContact O-N 2.95Å; I353-S357 VanDerWaalsContact O-N 3.09Å; I353-S357 PolarHBondContact O-OG 2.95Å; I353-L377 HydrophobicContact CB-CD1 4.35Å; I353-L377 HydrophobicContact CD1-CD1 3.99Å; I353-L377 HydrophobicContact CG2-CD1 3.7Å
354I89.4Confident90.4Very high32 Ų3251.7 Ų51.716%0.16426%0.264CS..Iπ-helixtrans-71.9-36.1-169.9-59.7169.4000112.6V349 K350 S357 Q358 N378V349-I354 PolarHBondContact O-N 3.26Å; K350-I354 HydrophobicContact CG-CD1 3.99Å; K350-I354 PolarHBondContact O-N 3.07Å; I354-S357 PolarHBondContact O-OG 2.93Å; I354-Q358 WeakPolarHBondContact O-CG 3.31Å; I354-N378 VanDerWaalsContact CD1-OD1 3.3Å; I354-N378 WeakPolarHBondContact CD1-OD1 3.42Å
355Q91.9Very high89.5Confident88 Ų8857.1 Ų57.141%0.41128%0.283SS..THydrogen-bonded Turntrans-71.3-51.8177.5-77.5175.91.100111.9K350 S357 Q358K350-Q355 WeakPolarHBondContact O-CB 3.45Å; K350-Q355 WeakPolarHBondContact O-CG 3.41Å; K350-Q355 PolarHBondContact O-N 3.44Å; Q355-S357 PolarHBondContact O-N 3.47Å; Q355-Q358 WeakPolarHBondContact O-CB 2.96Å; Q355-Q358 PolarHBondContact O-N 3.46Å; Q355-Q358 VanDerWaalsContact O-N 3.07Å
356P92.1Very high88.7Confident5 Ų557.1 Ų57.13%0.03228%0.283CS..G310 helixtrans-59.2-32.6176.3-2736.1000113.4Y200 R351 Q358 S359 A360Y200-P356 HydrophobicContact CD1-CB 3.85Å; Y200-P356 HydrophobicContact CD2-CB 4.06Å; Y200-P356 HydrophobicContact CG-CB 3.58Å; Y200-P356 HydrophobicContact CG-CG 4.43Å; R351-P356 VanDerWaalsContact O-CD 3.25Å; R351-P356 WeakPolarHBondContact O-CD 3.39Å; P356-Q358 PolarHBondContact O-N 3.11Å; P356-Q358 VanDerWaalsContact O-N 3.1Å; P356-S359 PolarHBondContact O-N 3.26Å; P356-S359 PolarHBondContact O-OG 3.34Å; P356-A360 PolarHBondContact O-N 2.98Å
357S88.4Confident87.8Confident24 Ų2456.9 Ų56.917%0.16828%0.282CS..G310 helixtrans-62.9-16.6177.277.40000114.4Y200 I353 I354 Q355 D368Y200-S357 WeakPolarHBondContact OH-CA 3.26Å; Y200-S357 WeakPolarHBondContact OH-CB 3.4Å; I353-S357 VanDerWaalsContact O-CB 3.31Å; I353-S357 WeakPolarHBondContact O-CB 3.43Å; I353-S357 PolarHBondContact O-N 2.95Å; I353-S357 VanDerWaalsContact O-N 3.09Å; I353-S357 PolarHBondContact O-OG 2.95Å; I354-S357 PolarHBondContact O-OG 2.93Å; Q355-S357 PolarHBondContact O-N 3.47Å; S357-D368 WeakPolarHBondContact CB-O 3.45Å; S357-D368 VanDerWaalsContact CB-OD1 3.3Å; S357-D368 WeakPolarHBondContact CB-OD1 3.39Å
358Q87.9Confident86.8Confident154 Ų15457.9 Ų57.972%0.7228%0.283SS*.G310 helixtrans-87.5-17.7177.5-64.8168.7-4.900112.7I354 Q355 P356I354-Q358 WeakPolarHBondContact O-CG 3.31Å; Q355-Q358 WeakPolarHBondContact O-CB 2.96Å; Q355-Q358 PolarHBondContact O-N 3.46Å; Q355-Q358 VanDerWaalsContact O-N 3.07Å; P356-Q358 PolarHBondContact O-N 3.11Å; P356-Q358 VanDerWaalsContact O-N 3.1Å
359S87.6Confident85.6Confident99 Ų9962.1 Ų62.169%0.69231%0.305SS*.THydrogen-bonded Turntrans-124.3-17.2-173.260.10000114.3P356P356-S359 PolarHBondContact O-N 3.26Å; P356-S359 PolarHBondContact O-OG 3.34Å
360A85.2Confident84.8Confident16 Ų1666.4 Ų66.413%0.13232%0.322CS..SBendtrans-131.8139.6-179.300000110.5E197 V201 P356E197-A360 HydrophobicContact CG-CB 4.28Å; V201-A360 HydrophobicContact CG2-CB 3.87Å; P356-A360 PolarHBondContact O-N 2.98Å
361E82.7Confident83.9Confident153 Ų15362 Ų6272%0.71531%0.305SS*.  trans-78128.4174.2-169.8173.3-174.600109.8K363E361-K363 PolarHBondContact O-N 3.48Å
362A81.7Confident82.7Confident9 Ų958 Ų587%0.07429%0.293CS..  trans-62.7133.1172.900000110.3Y200 I364Y200-A362 HydrophobicContact CE1-CB 3.95Å; A362-I364 WeakPolarHBondContact CB-O 3.47Å; A362-I364 PolarHBondContact O-N 3.26Å
363K84.5Confident81.5Confident100 Ų10058.3 Ų58.344%0.43530%0.3SS..SBendtrans-59.9-16.1171.5-75.2-173.7178.6167.90114E68 V201 D202 P205 E361E68-K363 WeakPolarHBondContact CB-O 3.44Å; V201-K363 HydrophobicContact CG1-CD 4.16Å; V201-K363 HydrophobicContact CG1-CG 3.95Å; V201-K363 VanDerWaalsContact O-CD 3.31Å; V201-K363 WeakPolarHBondContact O-CD 3.36Å; V201-K363 WeakPolarHBondContact O-CG 3.43Å; D202-K363 WeakPolarHBondContact OD1-CE 3.26Å; D202-K363 IonicContact OD1-NZ 2.58Å; D202-K363 PolarHBondContact OD1-NZ 3.43Å; P205-K363 HydrophobicContact CG-CB 3.82Å; E361-K363 PolarHBondContact O-N 3.48Å
364I80.2Confident80.6Confident0 Ų059.3 Ų59.30%031%0.314CS..SBendtrans-130.4112171.5-60.2-179.3000107.7W64 E68 P205 C208 H212 A362 Q366 L367W64-I364 HydrophobicContact CD2-CD1 4Å; W64-I364 HydrophobicContact CE3-CD1 3.61Å; W64-I364 HydrophobicContact CE3-CG1 4.41Å; W64-I364 HydrophobicContact CH2-CD1 3.73Å; W64-I364 HydrophobicContact CZ2-CD1 4.1Å; W64-I364 HydrophobicContact CZ3-CD1 3.46Å; W64-I364 VanDerWaalsContact CZ3-CD1 3.46Å; W64-I364 HydrophobicContact CZ3-CG1 4.14Å; E68-I364 HydrophobicContact CB-CG1 4.29Å; E68-I364 VanDerWaalsContact OE2-CA 3.31Å; E68-I364 WeakPolarHBondContact OE2-CA 3.29Å; P205-I364 HydrophobicContact CB-CD1 3.74Å; P205-I364 HydrophobicContact CB-CG1 4.08Å; P205-I364 HydrophobicContact CG-CD1 4.46Å; P205-I364 HydrophobicContact CG-CG1 4.38Å; C208-I364 HydrophobicContact CB-CD1 4.45Å; C208-I364 VanDerWaalsContact SG-CD1 3.54Å; H212-I364 HydrophobicContact CB-CG2 3.71Å; A362-I364 WeakPolarHBondContact CB-O 3.47Å; A362-I364 PolarHBondContact O-N 3.26Å; I364-Q366 VanDerWaalsContact C-N 3.29Å; I364-Q366 PolarHBondContact O-N 2.85Å; I364-Q366 VanDerWaalsContact O-N 3.16Å; I364-L367 HydrophobicContact CB-CD1 3.84Å; I364-L367 HydrophobicContact CB-CG 4.07Å; I364-L367 HydrophobicContact CD1-CD1 4.08Å; I364-L367 HydrophobicContact CG1-CD1 4.38Å; I364-L367 HydrophobicContact CG2-CD1 4.28Å; I364-L367 HydrophobicContact CG2-CG 4.08Å; I364-L367 WeakPolarHBondContact O-CB 3.32Å; I364-L367 PolarHBondContact O-N 3.1Å
365K79.2Confident80Confident139 Ų13959.7 Ų59.760%0.60432%0.315SS*.G310 helixtrans-56-37.3-172.2-74.2-179.6-179.3-174.60114.2E68 L367 D368E68-K365 WeakPolarHBondContact OE2-CG 3.36Å; E68-K365 PolarHBondContact OE2-N 3.48Å; K365-L367 PolarHBondContact O-N 2.83Å; K365-D368 VanDerWaalsContact O-CB 3.3Å; K365-D368 WeakPolarHBondContact O-CB 3.12Å; K365-D368 PolarHBondContact O-N 3.39Å
366Q78.2Confident79.3Confident59 Ų5959.2 Ų59.228%0.27632%0.321SS..G310 helixtrans-71-13.7-178.8-55.188.28.600113.4I364 D368I364-Q366 VanDerWaalsContact C-N 3.29Å; I364-Q366 PolarHBondContact O-N 2.85Å; I364-Q366 VanDerWaalsContact O-N 3.16Å; Q366-D368 VanDerWaalsContact C-N 3.28Å
367L77Confident78.8Confident3 Ų359.6 Ų59.62%0.01632%0.323CS..G310 helixtrans-80.5-7.2174.8-67.6178.9000113.1R204 C208 H212 I364 K365 I369R204-L367 HydrophobicContact CB-CD1 4.16Å; R204-L367 PolarHBondContact NH1-O 3.15Å; R204-L367 PolarHBondContact NH2-O 3.41Å; C208-L367 HydrophobicContact CB-CD1 3.75Å; C208-L367 HydrophobicContact CB-CD2 3.92Å; C208-L367 HydrophobicContact CB-CG 4.28Å; H212-L367 WeakPolarHBondContact NE2-CD2 3.34Å; I364-L367 HydrophobicContact CB-CD1 3.84Å; I364-L367 HydrophobicContact CB-CG 4.07Å; I364-L367 HydrophobicContact CD1-CD1 4.08Å; I364-L367 HydrophobicContact CG1-CD1 4.38Å; I364-L367 HydrophobicContact CG2-CD1 4.28Å; I364-L367 HydrophobicContact CG2-CG 4.08Å; I364-L367 WeakPolarHBondContact O-CB 3.32Å; I364-L367 PolarHBondContact O-N 3.1Å; K365-L367 PolarHBondContact O-N 2.83Å; L367-I369 PolarHBondContact O-N 2.74Å
368D74.8Confident78.5Confident67 Ų6762 Ų6236%0.35833%0.333SS..SBendtrans-46.4-61-169.9-173.216.2000113.5Y200 S357 K365 Q366Y200-D368 WeakPolarHBondContact CE2-O 3.5Å; Y200-D368 WeakPolarHBondContact OH-CA 3.33Å; Y200-D368 PolarHBondContact OH-O 3.11Å; Y200-D368 PolarHBondContact OH-OD1 2.57Å; S357-D368 WeakPolarHBondContact CB-O 3.45Å; S357-D368 VanDerWaalsContact CB-OD1 3.3Å; S357-D368 WeakPolarHBondContact CB-OD1 3.39Å; K365-D368 VanDerWaalsContact O-CB 3.3Å; K365-D368 WeakPolarHBondContact O-CB 3.12Å; K365-D368 PolarHBondContact O-N 3.39Å; Q366-D368 VanDerWaalsContact C-N 3.28Å
369I69.7Low78.5Confident102 Ų10258.6 Ų58.652%0.52332%0.323SS..SBendtrans-126.27.7178.160169.3000114.3L367 L377L367-I369 PolarHBondContact O-N 2.74Å; I369-L377 WeakPolarHBondContact O-CD1 3.42Å
370K77.4Confident78.7Confident104 Ų10454.9 Ų54.945%0.45229%0.294SS..BIsolated β-bridgetrans-98.4150178.9-66.2-176.2177.2-176.20111.4R204 Q375R204-K370 PolarHBondContact NH2-O 2.86Å; K370-Q375 WeakPolarHBondContact CA-O 3.45Å
371G73.1Confident79.1Confident7 Ų755.1 Ų55.17%0.07229%0.293CS..  trans-70.4166.6170.100000111.6G373 G374 Q375G371-G373 PolarHBondContact O-N 3.2Å; G371-G373 VanDerWaalsContact O-N 3.11Å; G371-G374 PolarHBondContact O-N 3.18Å; G371-Q375 PolarHBondContact N-O 3.26Å; G371-Q375 VanDerWaalsContact N-O 3.12Å
372T71.2Confident79.7Confident28 Ų2851.9 Ų51.917%0.17228%0.278CS..THydrogen-bonded Turntrans-53.5-32.7177.6-52.60000113L207 H212 I262 G374L207-T372 WeakPolarHBondContact O-CG2 3.48Å; H212-T372 PolarHBondContact CE1-O 3.34Å; I262-T372 HydrophobicContact CG2-CG2 4.05Å; T372-G374 VanDerWaalsContact C-N 3.35Å
373G69.2Low80.4Confident18 Ų1855 Ų5519%0.18629%0.288CS..THydrogen-bonded Turntrans-86.64.8176.400000115.3G371 Q375G371-G373 PolarHBondContact O-N 3.2Å; G371-G373 VanDerWaalsContact O-N 3.11Å; G373-Q375 PolarHBondContact O-NE2 3.39Å; G373-Q375 PolarHBondContact O-OE1 3.49Å
374G72.2Confident80.9Confident38 Ų3850.7 Ų50.739%0.39227%0.27SS..SBendtrans86.42.8179.300000116.3G371 T372G371-G374 PolarHBondContact O-N 3.18Å; T372-G374 VanDerWaalsContact C-N 3.35Å
375Q75.8Confident81.7Confident40 Ų4052.5 Ų52.519%0.18728%0.277CS..  trans-67.6147.3180-62.566.333.700111.4F290 K370 G371 G373 L377 F380F290-Q375 HydrophobicContact CD2-CG 4.49Å; F290-Q375 VanDerWaalsContact CE2-CD 3.48Å; K370-Q375 WeakPolarHBondContact CA-O 3.45Å; G371-Q375 PolarHBondContact N-O 3.26Å; G371-Q375 VanDerWaalsContact N-O 3.12Å; G373-Q375 PolarHBondContact O-NE2 3.39Å; G373-Q375 PolarHBondContact O-OE1 3.49Å; Q375-L377 PolarHBondContact O-N 3.33Å; Q375-L377 VanDerWaalsContact O-N 3.14Å; Q375-F380 HydrophobicContact CB-CB 3.92Å; Q375-F380 HydrophobicContact CB-CD1 4.21Å; Q375-F380 HydrophobicContact CB-CD2 4.48Å; Q375-F380 HydrophobicContact CB-CG 3.94Å; Q375-F380 HydrophobicContact CG-CB 4.35Å; Q375-F380 HydrophobicContact CG-CD1 4.2Å; Q375-F380 HydrophobicContact CG-CD2 3.99Å; Q375-F380 HydrophobicContact CG-CE2 4.38Å; Q375-F380 HydrophobicContact CG-CG 3.9Å
376C76.5Confident82.6Confident78 Ų7849.3 Ų49.353%0.52727%0.266SS..BIsolated β-bridgetrans-67.9105.8161.7-178.40000108.7N378 V379 F380C376-N378 PolarHBondContact O-N 2.75Å; C376-V379 PolarHBondContact O-N 2.88Å; C376-F380 VanDerWaalsContact O-CB 3.27Å; C376-F380 WeakPolarHBondContact O-CB 3.07Å; C376-F380 PolarHBondContact O-N 3.31Å
377L81.9Confident83.5Confident14 Ų1447 Ų477%0.07326%0.258CS..Hα-helixtrans-54.6-47.5-167.5-76.6171000113.1V349 I353 I369 Q375 L381V349-L377 HydrophobicContact CG1-CB 4.36Å; V349-L377 HydrophobicContact CG1-CD1 3.95Å; V349-L377 HydrophobicContact CG1-CD2 4.32Å; V349-L377 HydrophobicContact CG1-CG 4.45Å; I353-L377 HydrophobicContact CB-CD1 4.35Å; I353-L377 HydrophobicContact CD1-CD1 3.99Å; I353-L377 HydrophobicContact CG2-CD1 3.7Å; I369-L377 WeakPolarHBondContact O-CD1 3.42Å; Q375-L377 PolarHBondContact O-N 3.33Å; Q375-L377 VanDerWaalsContact O-N 3.14Å; L377-L381 HydrophobicContact CB-CD1 4.44Å; L377-L381 HydrophobicContact CD2-CD1 4.29Å; L377-L381 VanDerWaalsContact O-CB 3.24Å; L377-L381 WeakPolarHBondContact O-CB 3.38Å; L377-L381 WeakPolarHBondContact O-CD1 3.25Å; L377-L381 WeakPolarHBondContact O-CG 3.21Å; L377-L381 PolarHBondContact O-N 3.43Å
378N83.2Confident84.4Confident73 Ų7346.9 Ų46.939%0.3926%0.257SS..Hα-helixtrans-64.6-50.6-175-72.8-27.7000112.3I354 C376 Q382I354-N378 VanDerWaalsContact CD1-OD1 3.3Å; I354-N378 WeakPolarHBondContact CD1-OD1 3.42Å; C376-N378 PolarHBondContact O-N 2.75Å; N378-Q382 VanDerWaalsContact O-CB 3.29Å; N378-Q382 WeakPolarHBondContact O-CB 3.35Å; N378-Q382 WeakPolarHBondContact O-CG 3.32Å; N378-Q382 PolarHBondContact O-N 3.2Å
379V88.2Confident85.4Confident83 Ų8346.5 Ų46.550%0.50326%0.255SS..Hα-helixtrans-65.5-47.7-177.8178.60000110.5C376 R383C376-V379 PolarHBondContact O-N 2.88Å; V379-R383 VanDerWaalsContact O-CB 3.28Å; V379-R383 WeakPolarHBondContact O-CB 3.27Å; V379-R383 PolarHBondContact O-N 3.46Å
380F91.2Very high86.5Confident21 Ų2145.2 Ų45.29%0.09226%0.255CS..Hα-helixtrans-59.8-52-179.9171.8-107.5000111.7D287 F290 F291 Q375 C376 Q382 R383 V384D287-F380 HydrophobicContact CB-CE2 4.09Å; D287-F380 WeakPolarHBondContact OD1-CD2 3.46Å; D287-F380 WeakPolarHBondContact OD1-CE2 3.39Å; F290-F380 HydrophobicContact CD1-CE1 4.48Å; F290-F380 AromaticContact CD1-CE2 3.79Å; F290-F380 HydrophobicContact CD1-CE2 3.79Å; F290-F380 AromaticContact CD1-CZ 3.49Å; F290-F380 HydrophobicContact CD1-CZ 3.49Å; F290-F380 VanDerWaalsContact CD1-CZ 3.49Å; F290-F380 HydrophobicContact CE1-CE1 4.14Å; F290-F380 HydrophobicContact CE1-CE2 4.26Å; F290-F380 AromaticContact CE1-CZ 3.53Å; F290-F380 HydrophobicContact CE1-CZ 3.53Å; F290-F380 HydrophobicContact CG-CE2 4.42Å; F290-F380 HydrophobicContact CG-CZ 4.46Å; F291-F380 HydrophobicContact CE1-CZ 4.26Å; F291-F380 HydrophobicContact CZ-CE2 4.47Å; F291-F380 AromaticContact CZ-CZ 3.92Å; F291-F380 HydrophobicContact CZ-CZ 3.92Å; Q375-F380 HydrophobicContact CB-CB 3.92Å; Q375-F380 HydrophobicContact CB-CD1 4.21Å; Q375-F380 HydrophobicContact CB-CD2 4.48Å; Q375-F380 HydrophobicContact CB-CG 3.94Å; Q375-F380 HydrophobicContact CG-CB 4.35Å; Q375-F380 HydrophobicContact CG-CD1 4.2Å; Q375-F380 HydrophobicContact CG-CD2 3.99Å; Q375-F380 HydrophobicContact CG-CE2 4.38Å; Q375-F380 HydrophobicContact CG-CG 3.9Å; C376-F380 VanDerWaalsContact O-CB 3.27Å; C376-F380 WeakPolarHBondContact O-CB 3.07Å; C376-F380 PolarHBondContact O-N 3.31Å; F380-Q382 PolarHBondContact O-N 3.28Å; F380-R383 PolarHBondContact O-N 3.11Å; F380-V384 HydrophobicContact CD2-CG2 4.17Å; F380-V384 HydrophobicContact CE1-CG2 4.49Å; F380-V384 HydrophobicContact CE2-CG2 3.74Å; F380-V384 HydrophobicContact CZ-CG2 3.91Å; F380-V384 WeakPolarHBondContact O-CG2 3.31Å; F380-V384 PolarHBondContact O-N 2.9Å
381L94.1Very high87.2Confident22 Ų2240.3 Ų40.312%0.11523%0.234CC..Hα-helixtrans-69.5-36.2-175-64.6170.9000112.5I346 V349 L377 R385I346-L381 HydrophobicContact CD1-CB 3.98Å; I346-L381 HydrophobicContact CG1-CB 3.64Å; I346-L381 HydrophobicContact CG1-CD1 4.23Å; I346-L381 HydrophobicContact CG1-CG 4.49Å; V349-L381 HydrophobicContact CB-CD1 4.03Å; V349-L381 HydrophobicContact CG1-CD1 3.86Å; V349-L381 HydrophobicContact CG2-CD1 3.79Å; L377-L381 HydrophobicContact CB-CD1 4.44Å; L377-L381 HydrophobicContact CD2-CD1 4.29Å; L377-L381 VanDerWaalsContact O-CB 3.24Å; L377-L381 WeakPolarHBondContact O-CB 3.38Å; L377-L381 WeakPolarHBondContact O-CD1 3.25Å; L377-L381 WeakPolarHBondContact O-CG 3.21Å; L377-L381 PolarHBondContact O-N 3.43Å; L381-R385 VanDerWaalsContact O-CB 3.24Å; L381-R385 WeakPolarHBondContact O-CB 3.39Å; L381-R385 PolarHBondContact O-N 3.24Å
382Q95Very high88.2Confident85 Ų8541.8 Ų41.840%0.39724%0.243SC..Hα-helixtrans-64.6-46.6174.8-74.7174.2-18.300111.2I346 N378 F380 V384 R385 D386I346-Q382 HydrophobicContact CD1-CG 4.45Å; N378-Q382 VanDerWaalsContact O-CB 3.29Å; N378-Q382 WeakPolarHBondContact O-CB 3.35Å; N378-Q382 WeakPolarHBondContact O-CG 3.32Å; N378-Q382 PolarHBondContact O-N 3.2Å; F380-Q382 PolarHBondContact O-N 3.28Å; Q382-V384 PolarHBondContact O-N 3.4Å; Q382-R385 WeakPolarHBondContact O-CB 3.3Å; Q382-R385 PolarHBondContact O-N 3.42Å; Q382-D386 WeakPolarHBondContact O-CB 3.4Å; Q382-D386 VanDerWaalsContact O-CG 3.24Å; Q382-D386 PolarHBondContact O-N 3.06Å
383R95.3Very high89.2Confident73 Ų7341.2 Ų41.228%0.27524%0.239SC..Hα-helixtrans-59.8-45.7178.7-170.8164.668.4-173.3-0.1111.9H284 E286 D287 V379 F380 D386 A387H284-R383 HydrophobicContact CB-CG 4.19Å; H284-R383 PolarHBondContact ND1-NH1 3.11Å; E286-R383 IonicContact OE2-CZ 3.84Å; E286-R383 IonicContact OE2-NH1 3.69Å; E286-R383 PolarHBondContact OE2-NH1 3.15Å; E286-R383 VanDerWaalsContact OE2-NH1 3.13Å; E286-R383 IonicContact OE2-NH2 3.05Å; E286-R383 PolarHBondContact OE2-NH2 2.91Å; D287-R383 IonicContact OD1-CZ 2.89Å; D287-R383 IonicContact OD1-NE 2.73Å; D287-R383 PolarHBondContact OD1-NE 2.87Å; D287-R383 IonicContact OD1-NH2 3.17Å; D287-R383 PolarHBondContact OD1-NH2 2.91Å; D287-R383 IonicContact OD2-CZ 2.93Å; D287-R383 IonicContact OD2-NE 3.69Å; D287-R383 PolarHBondContact OD2-NE 3.44Å; D287-R383 IonicContact OD2-NH2 2.65Å; D287-R383 PolarHBondContact OD2-NH2 2.89Å; V379-R383 VanDerWaalsContact O-CB 3.28Å; V379-R383 WeakPolarHBondContact O-CB 3.27Å; V379-R383 PolarHBondContact O-N 3.46Å; F380-R383 PolarHBondContact O-N 3.11Å; R383-D386 PolarHBondContact O-N 3.41Å; R383-A387 WeakPolarHBondContact O-CB 3.47Å; R383-A387 PolarHBondContact O-N 3.5Å
384V95.8Very high90Very high10 Ų1050.4 Ų50.46%0.06128%0.284CS..Hα-helixtrans-64.5-41.5175.21720000111.6D287 F291 R342 F380 Q382D287-V384 HydrophobicContact CB-CG2 4.25Å; F291-V384 HydrophobicContact CE2-CG1 4.4Å; F291-V384 HydrophobicContact CE2-CG2 3.98Å; F291-V384 HydrophobicContact CZ-CG1 4.02Å; F291-V384 HydrophobicContact CZ-CG2 3.94Å; R342-V384 PolarHBondContact NH1-O 3.43Å; F380-V384 HydrophobicContact CD2-CG2 4.17Å; F380-V384 HydrophobicContact CE1-CG2 4.49Å; F380-V384 HydrophobicContact CE2-CG2 3.74Å; F380-V384 HydrophobicContact CZ-CG2 3.91Å; F380-V384 WeakPolarHBondContact O-CG2 3.31Å; F380-V384 PolarHBondContact O-N 2.9Å; Q382-V384 PolarHBondContact O-N 3.4Å
385R97.2Very high90.9Very high38 Ų3851.1 Ų51.114%0.14328%0.278CS..Hα-helixtrans-59.3-50.6175.1-177.6-158.561.1-166.6-4.1111W339 R342 N343 I346 L381 Q382 A387 S388W339-R385 HydrophobicContact CD2-CG 4.06Å; W339-R385 VanDerWaalsContact CE2-CD 3.45Å; W339-R385 HydrophobicContact CG-CG 3.98Å; W339-R385 HydrophobicContact CZ2-CG 4.4Å; R342-R385 HydrophobicContact CB-CB 3.92Å; R342-R385 HydrophobicContact CB-CG 3.83Å; N343-R385 HydrophobicContact CB-CG 4.48Å; N343-R385 WeakPolarHBondContact OD1-CD 3.39Å; N343-R385 PolarHBondContact OD1-NH1 3.29Å; I346-R385 HydrophobicContact CD1-CB 4.09Å; I346-R385 HydrophobicContact CD1-CG 4.46Å; L381-R385 VanDerWaalsContact O-CB 3.24Å; L381-R385 WeakPolarHBondContact O-CB 3.39Å; L381-R385 PolarHBondContact O-N 3.24Å; Q382-R385 WeakPolarHBondContact O-CB 3.3Å; Q382-R385 PolarHBondContact O-N 3.42Å; R385-A387 VanDerWaalsContact C-N 3.31Å; R385-A387 PolarHBondContact O-N 3.2Å; R385-S388 VanDerWaalsContact O-CB 3.24Å; R385-S388 WeakPolarHBondContact O-CB 3.27Å; R385-S388 PolarHBondContact O-N 2.83Å; R385-S388 VanDerWaalsContact O-N 3.09Å; R385-S388 PolarHBondContact O-OG 2.6Å
386D97.2Very high91.7Very high72 Ų7251.6 Ų51.639%0.38528%0.283SS..Hα-helixtrans-72.7-26.9-172.7-62.4-22000112.2W339 Q382 R383 S388 L389 S390W339-D386 PolarHBondContact NE1-OD1 3.46Å; W339-D386 VanDerWaalsContact NE1-OD1 3.15Å; Q382-D386 WeakPolarHBondContact O-CB 3.4Å; Q382-D386 VanDerWaalsContact O-CG 3.24Å; Q382-D386 PolarHBondContact O-N 3.06Å; R383-D386 PolarHBondContact O-N 3.41Å; D386-S388 PolarHBondContact O-N 3.21Å; D386-L389 PolarHBondContact O-N 3.03Å; D386-L389 VanDerWaalsContact O-N 3.11Å; D386-S390 PolarHBondContact O-N 3.32Å
387A96.9Very high92.5Very high12 Ų1250.2 Ų50.210%0.09927%0.27CS..Hα-helixtrans-58.2-26.216900000113.4V281 R383 R385 L389 S390V281-A387 HydrophobicContact CG1-CB 4.1Å; V281-A387 WeakPolarHBondContact CG1-O 3.37Å; R383-A387 WeakPolarHBondContact O-CB 3.47Å; R383-A387 PolarHBondContact O-N 3.5Å; R385-A387 VanDerWaalsContact C-N 3.31Å; R385-A387 PolarHBondContact O-N 3.2Å; A387-L389 VanDerWaalsContact C-N 3.3Å; A387-L389 PolarHBondContact O-N 2.87Å; A387-S390 PolarHBondContact O-N 3.34Å; A387-S390 PolarHBondContact O-OG 2.69Å
388S96.7Very high93.1Very high0 Ų052.3 Ų52.30%028%0.281CS..THydrogen-bonded Turntrans-59-42.1174.1-61.50000112.1L335 R342 R385 D386L335-S388 WeakPolarHBondContact CD2-O 3.3Å; R342-S388 WeakPolarHBondContact CD-OG 3.35Å; R342-S388 PolarHBondContact NH1-OG 2.88Å; R385-S388 VanDerWaalsContact O-CB 3.24Å; R385-S388 WeakPolarHBondContact O-CB 3.27Å; R385-S388 PolarHBondContact O-N 2.83Å; R385-S388 VanDerWaalsContact O-N 3.09Å; R385-S388 PolarHBondContact O-OG 2.6Å; D386-S388 PolarHBondContact O-N 3.21Å
389L96.2Very high93.8Very high58 Ų5851 Ų5130%0.30427%0.274SS..G310 helixtrans-84.8-18.2-175.4-68.7-179.8000112.9W339 D386 A387 A391 S392W339-L389 HydrophobicContact CB-CD1 4.36Å; W339-L389 HydrophobicContact CB-CD2 4.18Å; W339-L389 HydrophobicContact CB-CG 3.98Å; W339-L389 VanDerWaalsContact CD1-CD1 3.45Å; W339-L389 VanDerWaalsContact CD1-CG 3.5Å; W339-L389 HydrophobicContact CD2-CD1 4.25Å; W339-L389 HydrophobicContact CG-CD1 3.78Å; W339-L389 HydrophobicContact CG-CD2 4.47Å; W339-L389 HydrophobicContact CG-CG 3.84Å; D386-L389 PolarHBondContact O-N 3.03Å; D386-L389 VanDerWaalsContact O-N 3.11Å; A387-L389 VanDerWaalsContact C-N 3.3Å; A387-L389 PolarHBondContact O-N 2.87Å; L389-A391 PolarHBondContact O-N 3.33Å; L389-S392 VanDerWaalsContact O-CB 3.25Å; L389-S392 WeakPolarHBondContact O-CB 3.41Å; L389-S392 PolarHBondContact O-N 2.92Å; L389-S392 PolarHBondContact O-OG 3.18Å
390S92.4Very high94.1Very high76 Ų7648.9 Ų48.953%0.53126%0.259SS..G310 helixtrans-67.7-14.1173.573.20000113.3D386 A387D386-S390 PolarHBondContact O-N 3.32Å; A387-S390 PolarHBondContact O-N 3.34Å; A387-S390 PolarHBondContact O-OG 2.69Å
391A90.9Very high94.4Very high0 Ų050.9 Ų50.90%027%0.271CS..G310 helixtrans-86.8-3.9172.800000113.6V281 Y331 L335 L389V281-A391 HydrophobicContact CG2-CB 4.21Å; Y331-A391 WeakPolarHBondContact CE1-O 3.33Å; Y331-A391 PolarHBondContact OH-O 3.45Å; Y331-A391 VanDerWaalsContact OH-O 3.07Å; L335-A391 HydrophobicContact CD1-CB 3.77Å; L335-A391 WeakPolarHBondContact CD1-O 3.23Å; L335-A391 HydrophobicContact CD2-CB 4.1Å; L389-A391 PolarHBondContact O-N 3.33Å
392S94.4Very high94.4Very high39 Ų3953.1 Ų53.127%0.27328%0.283SS..  trans-66.2150.7-179.3-49.20000110.9N332 L335 L389N332-S392 WeakPolarHBondContact OD1-CA 3.44Å; L335-S392 VanDerWaalsContact CD1-N 3.33Å; L389-S392 VanDerWaalsContact O-CB 3.25Å; L389-S392 WeakPolarHBondContact O-CB 3.41Å; L389-S392 PolarHBondContact O-N 2.92Å; L389-S392 PolarHBondContact O-OG 3.18Å
393L93.5Very high94.3Very high15 Ų1550.4 Ų50.48%0.07927%0.274CS..  trans-85.2148.1172.4-51.4175.5000109.4A319 R328 Y331 N332A319-L393 VanDerWaalsContact C-CD1 3.48Å; A319-L393 HydrophobicContact CB-CD1 3.75Å; A319-L393 WeakPolarHBondContact O-CD1 3.35Å; R328-L393 HydrophobicContact CB-CD1 4.28Å; R328-L393 HydrophobicContact CG-CD1 4.12Å; Y331-L393 HydrophobicContact CD1-CD1 3.77Å; Y331-L393 HydrophobicContact CD1-CD2 4.47Å; Y331-L393 HydrophobicContact CD1-CG 3.7Å; Y331-L393 HydrophobicContact CE1-CD1 4.25Å; Y331-L393 HydrophobicContact CE1-CD2 4.11Å; Y331-L393 HydrophobicContact CE1-CG 3.76Å; Y331-L393 HydrophobicContact CG-CD1 4.42Å; N332-L393 PolarHBondContact ND2-O 3.43Å; N332-L393 PolarHBondContact OD1-N 2.97Å
394D85.3Confident94.2Very high212 Ų21248.4 Ų48.4100%1.13427%0.273SS*.  trans-61.10170.7-61.9-31.7000112.8R328R328-D394 PolarHBondContact NH2-O 2.74Å

Retrieved 394 of 394 residues in 106.7 ms (Link to these results)

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