A0A3Q0KSF4_SCHMA Loading...

Ubiquitin-activating enzyme E1b, putative

AlphaFold DB , UniProt , Accession A0A3Q0KSF4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 774 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
1M29.7Very low67.5Low243 Ų24371.3 Ų71.3100%1.19743%0.425SS*.  0107.20-73-178.7-17700107.3A3M1-A3 PolarHBondContact O-N 3.29Å
2S35.3Very low70Confident87 Ų8765.5 Ų65.561%0.60839%0.391SS*.  trans-67.3126.6177.1-1740000108.1K4S2-K4 PolarHBondContact O-N 3.09Å
3A40.4Very low71.9Confident83 Ų8360.8 Ų60.869%0.68636%0.364SS*.  trans-49.3128.5164.400000107.6M1 L5M1-A3 PolarHBondContact O-N 3.29Å; A3-L5 PolarHBondContact O-N 3.41Å
4K47.4Very low73.5Confident166 Ų16656.5 Ų56.572%0.72234%0.338SS*.  trans-60.5108.6174.4-152.7179.9-173.6-172.10105.1S2 S6 N31S2-K4 PolarHBondContact O-N 3.09Å; K4-S6 VanDerWaalsContact C-N 3.3Å; K4-S6 PolarHBondContact O-N 3.1Å; K4-N31 WeakPolarHBondContact CE-ND2 3.32Å
5L58.2Low74.8Confident32 Ų3253.5 Ų53.517%0.16832%0.324CS..  trans-63.3100.8172.2-82.6148.2000105.4A3 G7 F30 L474A3-L5 PolarHBondContact O-N 3.41Å; L5-G7 PolarHBondContact O-N 3.25Å; L5-F30 HydrophobicContact CB-CE1 4.48Å; L5-F30 HydrophobicContact CD1-CE2 3.99Å; L5-F30 HydrophobicContact CD1-CZ 4.12Å; L5-L474 HydrophobicContact CD2-CB 3.75Å; L5-L474 HydrophobicContact CD2-CD1 3.81Å; L5-L474 HydrophobicContact CD2-CG 4.42Å
6S63.4Low75.8Confident111 Ų11150.8 Ų50.878%0.77631%0.31SS*.  trans-80116.9-177.854.70000108.6K4K4-S6 VanDerWaalsContact C-N 3.3Å; K4-S6 PolarHBondContact O-N 3.1Å
7G78.2Confident77Confident26 Ų2648.5 Ų48.527%0.26830%0.296SS..SBendtrans154.6140.1175.300000111.5L5L5-G7 PolarHBondContact O-N 3.25Å
8S94.5Very high78.1Confident35 Ų3545.9 Ų45.925%0.24528%0.28CS..  trans-77.2139.6171.5-173.70000109.4D32 F98 C99S8-D32 WeakPolarHBondContact CA-O 3.47Å; S8-F98 CarbonylContact O-C 3.48Å; S8-F98 VanDerWaalsContact O-CA 3.27Å; S8-F98 WeakPolarHBondContact O-CA 2.93Å; S8-F98 WeakPolarHBondContact OG-CD1 3.38Å; S8-F98 WeakPolarHBondContact OG-CE1 3.17Å; S8-C99 PolarHBondContact O-N 2.9Å; S8-C99 PolarHBondContact O-SG 3.03Å
9V97.8Very high79.1Confident0 Ų043.5 Ų43.50%027%0.265CS..EExtended strand (participates in β ladder)trans-119148175.9-63.80000111.4L25 F30 D32 I33 T34 F98 V100 F102V9-L25 HydrophobicContact CG2-CD1 4Å; V9-L25 HydrophobicContact CG2-CD2 4.38Å; V9-F30 HydrophobicContact CG1-CD1 3.67Å; V9-F30 HydrophobicContact CG1-CE1 3.67Å; V9-F30 HydrophobicContact CG2-CD1 4.19Å; V9-D32 PolarHBondContact N-O 2.92Å; V9-I33 HydrophobicContact CG2-CB 4.3Å; V9-I33 HydrophobicContact CG2-CG1 3.9Å; V9-I33 HydrophobicContact CG2-CG2 4.19Å; V9-T34 PolarHBondContact O-N 3.19Å; V9-F98 VanDerWaalsContact C-CD1 3.45Å; V9-V100 WeakPolarHBondContact CA-O 3.17Å; V9-V100 HydrophobicContact CG1-CB 4.38Å; V9-F102 HydrophobicContact CB-CD2 4.42Å; V9-F102 HydrophobicContact CB-CE2 4.01Å; V9-F102 HydrophobicContact CG1-CE2 4.09Å; V9-F102 HydrophobicContact CG2-CE2 4.46Å
10L98.6Very high80.1Confident0 Ų042.6 Ų42.60%026%0.258CS..EExtended strand (participates in β ladder)trans-107.5128174.6177.563.6000109.8V12 T34 V36 F94 F95 F98 V100 V101 F102L10-V12 HydrophobicContact CD2-CG2 3.91Å; L10-V12 HydrophobicContact CG-CG2 3.85Å; L10-T34 HydrophobicContact CD1-CG2 3.77Å; L10-V36 HydrophobicContact CD1-CG2 3.93Å; L10-F94 HydrophobicContact CD1-CE1 4.09Å; L10-F94 HydrophobicContact CD1-CZ 4.1Å; L10-F94 HydrophobicContact CD2-CE1 3.85Å; L10-F95 HydrophobicContact CD2-CD1 4.07Å; L10-F95 HydrophobicContact CD2-CE1 3.71Å; L10-F95 HydrophobicContact CD2-CZ 4.16Å; L10-F98 HydrophobicContact CB-CB 4.35Å; L10-F98 HydrophobicContact CB-CD1 3.83Å; L10-F98 HydrophobicContact CB-CD2 3.71Å; L10-F98 HydrophobicContact CB-CE1 4Å; L10-F98 HydrophobicContact CB-CE2 3.89Å; L10-F98 HydrophobicContact CB-CG 3.68Å; L10-F98 HydrophobicContact CB-CZ 4.03Å; L10-F98 HydrophobicContact CD1-CE2 4.24Å; L10-F98 HydrophobicContact CD1-CZ 4.09Å; L10-F98 HydrophobicContact CD2-CD2 4.08Å; L10-F98 HydrophobicContact CD2-CE2 3.95Å; L10-F98 HydrophobicContact CG-CD2 4.42Å; L10-F98 HydrophobicContact CG-CE2 4.25Å; L10-F98 HydrophobicContact CG-CZ 4.47Å; L10-V100 PolarHBondContact N-O 2.91Å; L10-V101 HydrophobicContact CB-CG1 4.29Å; L10-V101 HydrophobicContact CB-CG2 4.17Å; L10-V101 HydrophobicContact CD2-CG1 4.05Å; L10-V101 HydrophobicContact CD2-CG2 4.25Å; L10-V101 HydrophobicContact CG-CG1 4.24Å; L10-V101 CarbonylContact O-C 3.55Å; L10-V101 WeakPolarHBondContact O-CA 3.27Å; L10-F102 PolarHBondContact O-N 2.9Å
11L98.7Very high81Confident1 Ų140.6 Ų40.61%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-109.9113.1170.6174.860.4000109G18 V21 L22 T34 I35 V36 F102 A104L11-G18 WeakPolarHBondContact CD2-O 3.06Å; L11-V21 HydrophobicContact CD1-CB 4.21Å; L11-V21 HydrophobicContact CD1-CG1 3.91Å; L11-V21 HydrophobicContact CD2-CG1 4.41Å; L11-L22 HydrophobicContact CD2-CB 3.97Å; L11-T34 PolarHBondContact N-O 2.92Å; L11-I35 WeakPolarHBondContact O-CA 3.49Å; L11-V36 PolarHBondContact O-N 3.04Å; L11-F102 HydrophobicContact CD1-CB 3.89Å; L11-A104 HydrophobicContact CD1-CB 4.04Å
12V98.2Very high84.2Confident2 Ų229.1 Ų29.11%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-99.8109.6177.4-162.80000108.7L10 I85 V101 F102 A104 L105 V114L10-V12 HydrophobicContact CD2-CG2 3.91Å; L10-V12 HydrophobicContact CG-CG2 3.85Å; V12-I85 HydrophobicContact CG1-CB 3.95Å; V12-I85 HydrophobicContact CG1-CD1 4.02Å; V12-I85 HydrophobicContact CG1-CG1 3.78Å; V12-I85 HydrophobicContact CG1-CG2 4.37Å; V12-I85 HydrophobicContact CG2-CD1 4.32Å; V12-V101 HydrophobicContact CG2-CG1 4Å; V12-F102 PolarHBondContact N-O 2.73Å; V12-A104 CarbonylContact O-C 3.46Å; V12-A104 WeakPolarHBondContact O-CA 3.32Å; V12-A104 PolarHBondContact O-N 3.39Å; V12-L105 HydrophobicContact CB-CG 4.49Å; V12-L105 HydrophobicContact CG1-CD1 4.12Å; V12-L105 HydrophobicContact CG1-CD2 3.88Å; V12-L105 HydrophobicContact CG1-CG 4.18Å; V12-V114 HydrophobicContact CG1-CG2 4.21Å; V12-V114 HydrophobicContact CG2-CG2 4.33Å
13G94.8Very high87.2Confident4 Ų427.1 Ų27.14%0.04117%0.169CC..  trans101.1126.9-172.800000113G18 V36G13-G18 WeakPolarHBondContact O-CA 3.46Å; G13-V36 PolarHBondContact N-O 2.89Å
14A94.4Very high89.9Confident1 Ų124.3 Ų24.31%0.00814%0.143CC..  trans-114.426.2178.100000111.8I35 D37 F52 K61A14-I35 HydrophobicContact CB-CG2 4.04Å; A14-D37 WeakPolarHBondContact CA-OD2 3.22Å; A14-D37 HydrophobicContact CB-CB 3.83Å; A14-D37 PolarHBondContact N-OD2 3.29Å; A14-F52 WeakPolarHBondContact O-CE2 3.21Å; A14-F52 WeakPolarHBondContact O-CZ 3.39Å; A14-K61 HydrophobicContact CB-CB 4.01Å
15G92.2Very high92.2Very high12 Ų1216.4 Ų16.412%0.12411%0.109CC..SBendtrans-75.5-146.5174.400000113.8G18 C19G15-G18 PolarHBondContact O-N 3.26Å; G15-C19 PolarHBondContact O-N 2.8Å; G15-C19 PolarHBondContact O-SG 3.08Å
16G90.4Very high94Very high10 Ų1015 Ų1510%0.10310%0.101CC..Hα-helixtrans-60.5-54.9-176.400000113.3
17I96.2Very high95.5Very high12 Ų1217.2 Ų17.26%0.0629%0.094CC..Hα-helixtrans-63.9-44.4174.5-61.8171.4000110C19 E20 V21 A104 T130 N459 V462 M466I17-C19 PolarHBondContact O-N 2.95Å; I17-E20 PolarHBondContact O-N 2.99Å; I17-E20 VanDerWaalsContact O-N 3.1Å; I17-V21 HydrophobicContact CG2-CG2 3.74Å; I17-V21 WeakPolarHBondContact O-CG2 3.48Å; I17-V21 PolarHBondContact O-N 3.25Å; I17-A104 HydrophobicContact CB-CB 4.01Å; I17-A104 HydrophobicContact CG2-CB 3.92Å; I17-T130 HydrophobicContact CD1-CG2 3.87Å; I17-T130 HydrophobicContact CG1-CG2 4.18Å; I17-N459 HydrophobicContact CG1-CB 4.33Å; I17-V462 HydrophobicContact CD1-CG1 4.09Å; I17-V462 HydrophobicContact CG1-CG1 4.45Å; I17-V462 HydrophobicContact CG2-CG1 4.43Å; I17-M466 HydrophobicContact CG2-CE 4.24Å; I17-M466 HydrophobicContact CG2-SD 3.46Å; I17-M466 WeakPolarHBondContact CG2-SD 3.35Å
18G97.6Very high96.1Very high1 Ų118.8 Ų18.81%0.0110%0.096CC..Hα-helixtrans-57.6-45.2-176.700000114.1L11 G13 G15 E20 V21 L22L11-G18 WeakPolarHBondContact CD2-O 3.06Å; G13-G18 WeakPolarHBondContact O-CA 3.46Å; G15-G18 PolarHBondContact O-N 3.26Å; G18-E20 VanDerWaalsContact C-N 3.33Å; G18-E20 PolarHBondContact O-N 3.07Å; G18-V21 PolarHBondContact O-N 2.86Å; G18-L22 WeakPolarHBondContact O-CB 3.09Å; G18-L22 PolarHBondContact O-N 3.42Å
19C97.5Very high95.9Very high0 Ų018.1 Ų18.10%09%0.094CC..Hα-helixtrans-58.3-44.7174.9-73.10000112.3G15 I17 K23 F50 L51G15-C19 PolarHBondContact O-N 2.8Å; G15-C19 PolarHBondContact O-SG 3.08Å; I17-C19 PolarHBondContact O-N 2.95Å; C19-K23 PolarHBondContact O-N 3.26Å; C19-F50 HydrophobicContact CB-CD1 4.1Å; C19-F50 HydrophobicContact CB-CE1 3.92Å; C19-L51 HydrophobicContact CB-CD1 3.92Å; C19-L51 HydrophobicContact CB-CG 4.04Å
20E98.4Very high95.7Very high26 Ų2618.1 Ų18.112%0.12110%0.095CC..Hα-helixtrans-69.5-42.1-179.7-74.3-69.1163.400111.9I17 G18 K23 N24 F50 A460 A463I17-E20 PolarHBondContact O-N 2.99Å; I17-E20 VanDerWaalsContact O-N 3.1Å; G18-E20 VanDerWaalsContact C-N 3.33Å; G18-E20 PolarHBondContact O-N 3.07Å; E20-K23 PolarHBondContact O-N 2.99Å; E20-K23 WeakPolarHBondContact OE2-CE 3.04Å; E20-K23 IonicContact OE2-NZ 2.74Å; E20-K23 PolarHBondContact OE2-NZ 2.85Å; E20-N24 WeakPolarHBondContact O-CB 3.07Å; E20-N24 PolarHBondContact O-N 3.04Å; E20-N24 PolarHBondContact O-ND2 3.07Å; E20-N24 PolarHBondContact O-OD1 2.97Å; E20-F50 HydrophobicContact CG-CD1 4.48Å; E20-F50 HydrophobicContact CG-CE1 4.33Å; E20-F50 WeakPolarHBondContact OE1-CD1 3.24Å; E20-A460 HydrophobicContact CG-CB 4.14Å; E20-A463 HydrophobicContact CB-CB 3.37Å
21V98.4Very high95.4Very high0 Ų019.7 Ų19.70%010%0.103CC..Hα-helixtrans-61-47.5175.3171.50000109.9L11 I17 G18 K23 N24 L25 F102 A463 M466L11-V21 HydrophobicContact CD1-CB 4.21Å; L11-V21 HydrophobicContact CD1-CG1 3.91Å; L11-V21 HydrophobicContact CD2-CG1 4.41Å; I17-V21 HydrophobicContact CG2-CG2 3.74Å; I17-V21 WeakPolarHBondContact O-CG2 3.48Å; I17-V21 PolarHBondContact O-N 3.25Å; G18-V21 PolarHBondContact O-N 2.86Å; V21-K23 VanDerWaalsContact C-N 3.35Å; V21-K23 PolarHBondContact O-N 3.47Å; V21-N24 CarbonylContact O-C 3.55Å; V21-N24 PolarHBondContact O-N 2.99Å; V21-L25 HydrophobicContact CG1-CD1 3.76Å; V21-L25 HydrophobicContact CG1-CG 4.01Å; V21-L25 WeakPolarHBondContact O-CB 3.3Å; V21-L25 VanDerWaalsContact O-CG 3.29Å; V21-L25 WeakPolarHBondContact O-CG 3.5Å; V21-L25 PolarHBondContact O-N 3.25Å; V21-F102 HydrophobicContact CG1-CB 4.43Å; V21-F102 HydrophobicContact CG1-CD1 4.15Å; V21-F102 HydrophobicContact CG1-CG 4.24Å; V21-A463 HydrophobicContact CB-CB 4.46Å; V21-A463 HydrophobicContact CG2-CB 3.59Å; V21-M466 HydrophobicContact CG2-CE 4.05Å; V21-M466 HydrophobicContact CG2-SD 3.57Å; V21-M466 VanDerWaalsContact CG2-SD 3.57Å
22L98.2Very high95.2Very high2 Ų222.9 Ų22.91%0.0112%0.12CC..Hα-helixtrans-58.8-45.9-179.7-176.162.4000111.9L11 G18 N24 L25 V26 I33 I35 L51 A65 V69 I78L11-L22 HydrophobicContact CD2-CB 3.97Å; G18-L22 WeakPolarHBondContact O-CB 3.09Å; G18-L22 PolarHBondContact O-N 3.42Å; L22-N24 PolarHBondContact O-N 3.4Å; L22-L25 PolarHBondContact O-N 2.89Å; L22-V26 PolarHBondContact O-N 3.48Å; L22-I33 HydrophobicContact CD1-CD1 3.98Å; L22-I33 HydrophobicContact CD1-CG2 3.78Å; L22-I35 HydrophobicContact CD1-CD1 3.73Å; L22-I35 HydrophobicContact CD1-CG1 4.17Å; L22-I35 HydrophobicContact CD2-CD1 3.46Å; L22-I35 VanDerWaalsContact CD2-CD1 3.46Å; L22-I35 HydrophobicContact CG-CD1 4.21Å; L22-L51 HydrophobicContact CD2-CD1 4.04Å; L22-A65 HydrophobicContact CD2-CB 3.97Å; L22-V69 HydrophobicContact CD2-CB 4.25Å; L22-V69 HydrophobicContact CD2-CG2 3.52Å; L22-V69 HydrophobicContact CG-CG2 3.85Å; L22-I78 HydrophobicContact CD1-CD1 4.3Å
23K97.5Very high95.2Very high45 Ų4522.9 Ų22.920%0.19612%0.12CC..Hα-helixtrans-56.8-49.9171.8171.418052.669.90111.3C19 E20 V21 L25 V26 Y27 F50C19-K23 PolarHBondContact O-N 3.26Å; E20-K23 PolarHBondContact O-N 2.99Å; E20-K23 WeakPolarHBondContact OE2-CE 3.04Å; E20-K23 IonicContact OE2-NZ 2.74Å; E20-K23 PolarHBondContact OE2-NZ 2.85Å; V21-K23 VanDerWaalsContact C-N 3.35Å; V21-K23 PolarHBondContact O-N 3.47Å; K23-L25 VanDerWaalsContact C-N 3.33Å; K23-L25 PolarHBondContact O-N 2.76Å; K23-V26 WeakPolarHBondContact O-CG2 3.37Å; K23-V26 PolarHBondContact O-N 2.82Å; K23-Y27 HydrophobicContact CD-CD2 4.48Å; K23-Y27 HydrophobicContact CD-CE2 4.29Å; K23-Y27 HydrophobicContact CG-CD2 3.62Å; K23-Y27 HydrophobicContact CG-CE2 3.75Å; K23-Y27 VanDerWaalsContact O-CD2 3.26Å; K23-Y27 WeakPolarHBondContact O-CD2 3.47Å; K23-Y27 PolarHBondContact O-N 3.14Å; K23-Y27 VanDerWaalsContact O-N 3.11Å; K23-F50 HydrophobicContact CB-CE1 4.44Å; K23-F50 HydrophobicContact CB-CZ 3.85Å; K23-F50 HydrophobicContact CD-CE1 4.4Å; K23-F50 HydrophobicContact CD-CE2 4.27Å; K23-F50 HydrophobicContact CD-CZ 3.71Å; K23-F50 HydrophobicContact CG-CZ 4.29Å
24N97.4Very high95.4Very high25 Ų2523.3 Ų23.313%0.13412%0.121CC..Hα-helixtrans-64.6-38.9-175.7-66.9-14.4000111.5E20 V21 L22 Y27 N28 A463 G464 V467E20-N24 WeakPolarHBondContact O-CB 3.07Å; E20-N24 PolarHBondContact O-N 3.04Å; E20-N24 PolarHBondContact O-ND2 3.07Å; E20-N24 PolarHBondContact O-OD1 2.97Å; V21-N24 CarbonylContact O-C 3.55Å; V21-N24 PolarHBondContact O-N 2.99Å; L22-N24 PolarHBondContact O-N 3.4Å; N24-Y27 PolarHBondContact O-N 2.73Å; N24-N28 VanDerWaalsContact O-CB 3.29Å; N24-N28 WeakPolarHBondContact O-CB 3.41Å; N24-N28 PolarHBondContact O-N 3.12Å; N24-N28 PolarHBondContact O-ND2 3.31Å; N24-A463 PolarHBondContact ND2-O 2.77Å; N24-G464 PolarHBondContact ND2-N 3Å; N24-V467 HydrophobicContact CB-CB 4.44Å; N24-V467 HydrophobicContact CB-CG2 3.73Å
25L96.5Very high95.6Very high0 Ų023.2 Ų23.20%012%0.121CC..Hα-helixtrans-58.4-53.1175.6-73172.9000111.3V9 V21 L22 K23 Y27 N28 G29 F30 I33 F102 V467V9-L25 HydrophobicContact CG2-CD1 4Å; V9-L25 HydrophobicContact CG2-CD2 4.38Å; V21-L25 HydrophobicContact CG1-CD1 3.76Å; V21-L25 HydrophobicContact CG1-CG 4.01Å; V21-L25 WeakPolarHBondContact O-CB 3.3Å; V21-L25 VanDerWaalsContact O-CG 3.29Å; V21-L25 WeakPolarHBondContact O-CG 3.5Å; V21-L25 PolarHBondContact O-N 3.25Å; L22-L25 PolarHBondContact O-N 2.89Å; K23-L25 VanDerWaalsContact C-N 3.33Å; K23-L25 PolarHBondContact O-N 2.76Å; L25-Y27 VanDerWaalsContact C-N 3.33Å; L25-Y27 PolarHBondContact O-N 3.1Å; L25-N28 CarbonylContact O-C 3.52Å; L25-N28 PolarHBondContact O-N 3.1Å; L25-G29 PolarHBondContact O-N 3.47Å; L25-F30 HydrophobicContact CB-CB 4.09Å; L25-F30 HydrophobicContact CB-CD2 4.3Å; L25-F30 HydrophobicContact CB-CG 4.37Å; L25-F30 HydrophobicContact CD2-CB 4.35Å; L25-F30 HydrophobicContact CD2-CD1 4.19Å; L25-F30 HydrophobicContact CD2-CD2 3.61Å; L25-F30 HydrophobicContact CD2-CE1 4.38Å; L25-F30 HydrophobicContact CD2-CE2 3.84Å; L25-F30 HydrophobicContact CD2-CG 3.8Å; L25-F30 HydrophobicContact CD2-CZ 4.21Å; L25-F30 WeakPolarHBondContact O-CB 3.35Å; L25-F30 WeakPolarHBondContact O-CD2 3.29Å; L25-F30 PolarHBondContact O-N 2.88Å; L25-F30 VanDerWaalsContact O-N 3.14Å; L25-I33 HydrophobicContact CB-CD1 3.78Å; L25-I33 HydrophobicContact CD1-CD1 4.32Å; L25-I33 HydrophobicContact CD1-CG2 4.32Å; L25-F102 HydrophobicContact CD1-CE2 4.41Å; L25-F102 HydrophobicContact CD2-CE2 3.87Å; L25-F102 HydrophobicContact CD2-CZ 3.73Å; L25-V467 HydrophobicContact CD2-CG2 4.11Å; L25-V467 HydrophobicContact CG-CG2 4.33Å
26V95.4Very high95.9Very high2 Ų222.8 Ų22.81%0.01212%0.116CC..Hα-helixtrans-65.6-35.1-177.6-63.70000113.1L22 K23 N28 G29 I33 V69 F72 R73 A76 I78L22-V26 PolarHBondContact O-N 3.48Å; K23-V26 WeakPolarHBondContact O-CG2 3.37Å; K23-V26 PolarHBondContact O-N 2.82Å; V26-N28 VanDerWaalsContact C-N 3.31Å; V26-G29 PolarHBondContact O-N 2.79Å; V26-I33 HydrophobicContact CG1-CD1 3.6Å; V26-V69 HydrophobicContact CB-CG1 4.41Å; V26-V69 HydrophobicContact CG1-CG1 3.77Å; V26-V69 HydrophobicContact CG2-CG1 3.94Å; V26-F72 HydrophobicContact CG2-CE2 4.12Å; V26-R73 HydrophobicContact CB-CB 4.5Å; V26-R73 HydrophobicContact CB-CG 4.13Å; V26-R73 HydrophobicContact CG2-CB 4.48Å; V26-A76 HydrophobicContact CG1-CB 4.01Å; V26-I78 HydrophobicContact CG1-CD1 4.31Å
27Y94.1Very high96Very high158 Ų15823 Ų2362%0.6212%0.115SC*.Hα-helixtrans-72-24.4174.2-83.4-66.2000113.2K23 N24 L25 G29 F72K23-Y27 HydrophobicContact CD-CD2 4.48Å; K23-Y27 HydrophobicContact CD-CE2 4.29Å; K23-Y27 HydrophobicContact CG-CD2 3.62Å; K23-Y27 HydrophobicContact CG-CE2 3.75Å; K23-Y27 VanDerWaalsContact O-CD2 3.26Å; K23-Y27 WeakPolarHBondContact O-CD2 3.47Å; K23-Y27 PolarHBondContact O-N 3.14Å; K23-Y27 VanDerWaalsContact O-N 3.11Å; N24-Y27 PolarHBondContact O-N 2.73Å; L25-Y27 VanDerWaalsContact C-N 3.33Å; L25-Y27 PolarHBondContact O-N 3.1Å; Y27-G29 VanDerWaalsContact C-N 3.31Å; Y27-F72 HydrophobicContact CE2-CE2 4.24Å
28N92.6Very high95.5Very high59 Ų5926.7 Ų26.732%0.31613%0.134SC..THydrogen-bonded Turntrans-89.87.4175.5-80.1-89.8000113.5N24 L25 V26 F30 V467N24-N28 VanDerWaalsContact O-CB 3.29Å; N24-N28 WeakPolarHBondContact O-CB 3.41Å; N24-N28 PolarHBondContact O-N 3.12Å; N24-N28 PolarHBondContact O-ND2 3.31Å; L25-N28 CarbonylContact O-C 3.52Å; L25-N28 PolarHBondContact O-N 3.1Å; V26-N28 VanDerWaalsContact C-N 3.31Å; N28-F30 HydrophobicContact CB-CD2 4.19Å; N28-F30 HydrophobicContact CB-CE2 4.3Å; N28-V467 HydrophobicContact CB-CG1 4.12Å
29G90Very high94.8Very high20 Ų2029.5 Ų29.521%0.20615%0.149CC..THydrogen-bonded Turntrans86.410.8171.700000115.3L25 V26 Y27 N31L25-G29 PolarHBondContact O-N 3.47Å; V26-G29 PolarHBondContact O-N 2.79Å; Y27-G29 VanDerWaalsContact C-N 3.31Å; G29-N31 PolarHBondContact O-N 3.23Å; G29-N31 PolarHBondContact O-ND2 3.3Å
30F92.3Very high94.2Very high1 Ų132.7 Ų32.70%0.00417%0.169CC..  trans-68.7122.5164.5-67.9-94.6000108.3L5 V9 L25 N28 I33 V467 L474L5-F30 HydrophobicContact CB-CE1 4.48Å; L5-F30 HydrophobicContact CD1-CE2 3.99Å; L5-F30 HydrophobicContact CD1-CZ 4.12Å; V9-F30 HydrophobicContact CG1-CD1 3.67Å; V9-F30 HydrophobicContact CG1-CE1 3.67Å; V9-F30 HydrophobicContact CG2-CD1 4.19Å; L25-F30 HydrophobicContact CB-CB 4.09Å; L25-F30 HydrophobicContact CB-CD2 4.3Å; L25-F30 HydrophobicContact CB-CG 4.37Å; L25-F30 HydrophobicContact CD2-CB 4.35Å; L25-F30 HydrophobicContact CD2-CD1 4.19Å; L25-F30 HydrophobicContact CD2-CD2 3.61Å; L25-F30 HydrophobicContact CD2-CE1 4.38Å; L25-F30 HydrophobicContact CD2-CE2 3.84Å; L25-F30 HydrophobicContact CD2-CG 3.8Å; L25-F30 HydrophobicContact CD2-CZ 4.21Å; L25-F30 WeakPolarHBondContact O-CB 3.35Å; L25-F30 WeakPolarHBondContact O-CD2 3.29Å; L25-F30 PolarHBondContact O-N 2.88Å; L25-F30 VanDerWaalsContact O-N 3.14Å; N28-F30 HydrophobicContact CB-CD2 4.19Å; N28-F30 HydrophobicContact CB-CE2 4.3Å; F30-I33 HydrophobicContact CB-CD1 4.36Å; F30-I33 HydrophobicContact CB-CG1 4.39Å; F30-V467 HydrophobicContact CE2-CG1 4.43Å; F30-L474 HydrophobicContact CE1-CD1 3.49Å; F30-L474 VanDerWaalsContact CE1-CD1 3.49Å; F30-L474 HydrophobicContact CZ-CD1 3.52Å
31N91.9Very high93.7Very high32 Ų3231.6 Ų31.617%0.17116%0.163CC..  trans-105.6-34.4-178.8-57.8-64.1000112.1K4 G29 H77K4-N31 WeakPolarHBondContact CE-ND2 3.32Å; G29-N31 PolarHBondContact O-N 3.23Å; G29-N31 PolarHBondContact O-ND2 3.3Å; N31-H77 CarbonylContact O-C 3.55Å; N31-H77 WeakPolarHBondContact O-CA 3.36Å; N31-H77 PolarHBondContact O-N 3.47Å
32D96.3Very high92.8Very high69 Ų6934.2 Ų34.237%0.36918%0.177SC..EExtended strand (participates in β ladder)trans-100.8106.1-178.6-65.8-63.3000109.9S8 V9 H77S8-D32 WeakPolarHBondContact CA-O 3.47Å; V9-D32 PolarHBondContact N-O 2.92Å; D32-H77 WeakPolarHBondContact CA-O 3.13Å; D32-H77 IonicContact OD1-CG 3.4Å; D32-H77 IonicContact OD1-ND1 3.43Å; D32-H77 PolarHBondContact OD1-ND1 2.92Å
33I98.1Very high92.1Very high1 Ų138.2 Ų38.21%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-130.4128.1-174.4-53.1171.9000109.1V9 L22 L25 V26 F30 I35 H77 I78 V79V9-I33 HydrophobicContact CG2-CB 4.3Å; V9-I33 HydrophobicContact CG2-CG1 3.9Å; V9-I33 HydrophobicContact CG2-CG2 4.19Å; L22-I33 HydrophobicContact CD1-CD1 3.98Å; L22-I33 HydrophobicContact CD1-CG2 3.78Å; L25-I33 HydrophobicContact CB-CD1 3.78Å; L25-I33 HydrophobicContact CD1-CD1 4.32Å; L25-I33 HydrophobicContact CD1-CG2 4.32Å; V26-I33 HydrophobicContact CG1-CD1 3.6Å; F30-I33 HydrophobicContact CB-CD1 4.36Å; F30-I33 HydrophobicContact CB-CG1 4.39Å; I33-I35 HydrophobicContact CG2-CG1 4.22Å; I33-H77 PolarHBondContact N-O 2.78Å; I33-I78 HydrophobicContact CB-CG1 4.35Å; I33-I78 CarbonylContact O-C 3.41Å; I33-I78 VanDerWaalsContact O-CA 3.25Å; I33-I78 WeakPolarHBondContact O-CA 3.4Å; I33-V79 PolarHBondContact O-N 3.22Å
34T98.6Very high91.1Very high13 Ų1338.4 Ų38.48%0.0821%0.209CC..EExtended strand (participates in β ladder)trans-106.4133.5169-630000109.5V9 L10 L11 V79 Y81 F94 F98V9-T34 PolarHBondContact O-N 3.19Å; L10-T34 HydrophobicContact CD1-CG2 3.77Å; L11-T34 PolarHBondContact N-O 2.92Å; T34-V79 CarbonylContact C-O 3.55Å; T34-V79 WeakPolarHBondContact CA-O 3.43Å; T34-Y81 HydrophobicContact CG2-CD2 3.78Å; T34-Y81 HydrophobicContact CG2-CE2 3.63Å; T34-F94 HydrophobicContact CG2-CZ 4.09Å; T34-F98 HydrophobicContact CG2-CE1 4.47Å; T34-F98 HydrophobicContact CG2-CZ 4.14Å; T34-F98 WeakPolarHBondContact OG1-CE1 3.41Å
35I98.6Very high90.4Very high0 Ų037.9 Ų37.90%021%0.206CC..EExtended strand (participates in β ladder)trans-117.7132178.6-49.9166000108.6L11 A14 L22 I33 A62 I78 V79 A80 Y81L11-I35 WeakPolarHBondContact O-CA 3.49Å; A14-I35 HydrophobicContact CB-CG2 4.04Å; L22-I35 HydrophobicContact CD1-CD1 3.73Å; L22-I35 HydrophobicContact CD1-CG1 4.17Å; L22-I35 HydrophobicContact CD2-CD1 3.46Å; L22-I35 VanDerWaalsContact CD2-CD1 3.46Å; L22-I35 HydrophobicContact CG-CD1 4.21Å; I33-I35 HydrophobicContact CG2-CG1 4.22Å; I35-A62 HydrophobicContact CG2-CB 4.06Å; I35-I78 HydrophobicContact CD1-CG2 3.46Å; I35-I78 VanDerWaalsContact CD1-CG2 3.46Å; I35-I78 HydrophobicContact CG1-CG2 4.02Å; I35-V79 PolarHBondContact N-O 2.79Å; I35-A80 WeakPolarHBondContact O-CA 3.03Å; I35-Y81 PolarHBondContact O-N 3.36Å
36V97.6Very high90Very high2 Ų240.3 Ų40.31%0.01222%0.219CC..EExtended strand (participates in β ladder)trans-122.9124.9172.6-178.30000108.6L10 L11 G13 Y81 K83 I85 F90L10-V36 HydrophobicContact CD1-CG2 3.93Å; L11-V36 PolarHBondContact O-N 3.04Å; G13-V36 PolarHBondContact N-O 2.89Å; V36-Y81 HydrophobicContact CG2-CD2 4.12Å; V36-K83 VanDerWaalsContact CG1-O 3.27Å; V36-K83 WeakPolarHBondContact CG1-O 3.18Å; V36-I85 HydrophobicContact CB-CD1 4.41Å; V36-I85 HydrophobicContact CG1-CB 4.41Å; V36-I85 HydrophobicContact CG1-CD1 4.12Å; V36-I85 HydrophobicContact CG2-CD1 4.45Å; V36-F90 HydrophobicContact CG1-CE2 3.89Å; V36-F90 HydrophobicContact CG1-CZ 4.06Å; V36-F90 HydrophobicContact CG2-CE1 4.22Å; V36-F90 HydrophobicContact CG2-CZ 4.07Å
37D93.5Very high89.3Confident15 Ų1545.3 Ų45.38%0.0825%0.245CC..EExtended strand (participates in β ladder)trans-149.1141.8170.9-163.6-63.1000108.8A14 D39 K61 A62 Y81 H82 K83A14-D37 WeakPolarHBondContact CA-OD2 3.22Å; A14-D37 HydrophobicContact CB-CB 3.83Å; A14-D37 PolarHBondContact N-OD2 3.29Å; D37-D39 WeakPolarHBondContact OD1-CB 3.42Å; D37-D39 PolarHBondContact OD1-N 3.39Å; D37-K61 HydrophobicContact CB-CB 4.33Å; D37-A62 HydrophobicContact CB-CB 3.94Å; D37-Y81 PolarHBondContact N-O 3.32Å; D37-Y81 VanDerWaalsContact N-O 3.11Å; D37-Y81 VanDerWaalsContact O-O 3.08Å; D37-H82 CarbonylContact O-C 3.41Å; D37-H82 VanDerWaalsContact O-CA 3.24Å; D37-H82 WeakPolarHBondContact O-CA 3.49Å; D37-K83 CarbonylContact C-O 3.54Å; D37-K83 PolarHBondContact O-N 2.97Å
38L85.2Confident89Confident89 Ų8940.6 Ų40.647%0.46623%0.227SC..  trans-95.2-14.5-177.174.397.6000113.3H82L38-H82 PolarHBondContact O-CD2 3.36Å; L38-H82 PolarHBondContact O-NE2 2.93Å
39D83Confident88.9Confident60 Ų6038.2 Ų38.232%0.32121%0.213SC..PPolyproline II helixtrans-94160.9-170.4-71.6-15.8000113.1D37 K61D37-D39 WeakPolarHBondContact OD1-CB 3.42Å; D37-D39 PolarHBondContact OD1-N 3.39Å; D39-K61 HydrophobicContact CB-CD 3.81Å; D39-K61 HydrophobicContact CB-CG 4.36Å; D39-K61 VanDerWaalsContact CB-NZ 3.28Å; D39-K61 PolarHBondContact O-N 2.75Å; D39-K61 IonicContact OD2-NZ 2.68Å; D39-K61 PolarHBondContact OD2-NZ 3.38Å
40T85.1Confident89.2Confident68 Ų6841.5 Ų41.542%0.41722%0.222SC..BIsolated β-bridgetrans-98.8163.2163.5640000111.6R59 K61T40-R59 CarbonylContact C-O 3.59Å; T40-R59 VanDerWaalsContact CA-O 3.23Å; T40-R59 WeakPolarHBondContact CA-O 3.48Å; T40-R59 WeakPolarHBondContact CB-O 3.46Å; T40-K61 VanDerWaalsContact O-CE 3.23Å; T40-K61 WeakPolarHBondContact O-CE 3.41Å
41I88.7Confident89.4Confident2 Ų241.9 Ų41.91%0.0122%0.224CC..PPolyproline II helixtrans-77.5126.3-176.8-64.7160.6000110.2L46 F52 H56 V57 G58 R59 K61 T64I41-L46 HydrophobicContact CG2-CD2 4.31Å; I41-F52 HydrophobicContact CD1-CB 4.14Å; I41-F52 HydrophobicContact CD1-CD1 3.49Å; I41-F52 VanDerWaalsContact CD1-CD1 3.49Å; I41-F52 HydrophobicContact CD1-CD2 4.25Å; I41-F52 HydrophobicContact CD1-CE1 3.96Å; I41-F52 HydrophobicContact CD1-CG 3.69Å; I41-F52 HydrophobicContact CG1-CB 4.4Å; I41-F52 HydrophobicContact CG1-CD1 4.06Å; I41-F52 HydrophobicContact CG1-CD2 3.91Å; I41-F52 HydrophobicContact CG1-CE1 4.36Å; I41-F52 HydrophobicContact CG1-CE2 4.21Å; I41-F52 HydrophobicContact CG1-CG 3.85Å; I41-F52 HydrophobicContact CG1-CZ 4.44Å; I41-F52 HydrophobicContact CG2-CB 3.93Å; I41-F52 HydrophobicContact CG2-CD2 4.35Å; I41-F52 HydrophobicContact CG2-CG 4.22Å; I41-H56 HydrophobicContact CD1-CB 3.67Å; I41-V57 HydrophobicContact CG2-CG2 4.49Å; I41-V57 CarbonylContact O-C 3.59Å; I41-V57 WeakPolarHBondContact O-CA 3.47Å; I41-G58 PolarHBondContact O-N 3.14Å; I41-R59 WeakPolarHBondContact CG1-O 3.47Å; I41-R59 PolarHBondContact N-O 3.34Å; I41-K61 HydrophobicContact CG1-CG 3.8Å; I41-T64 HydrophobicContact CD1-CG2 3.64Å
42D78.9Confident89.6Confident55 Ų5541 Ų4129%0.29422%0.219SC..  trans-106158.4172.3-172.2-95.2000112.4S44 N45D42-S44 VanDerWaalsContact C-N 3.25Å; D42-S44 PolarHBondContact O-N 3.19Å; D42-S44 VanDerWaalsContact OD1-CB 3.24Å; D42-S44 WeakPolarHBondContact OD1-CB 3.38Å; D42-S44 PolarHBondContact OD1-N 3.28Å; D42-S44 PolarHBondContact OD1-OG 2.95Å; D42-N45 PolarHBondContact N-OD1 3.36Å; D42-N45 VanDerWaalsContact N-OD1 3.08Å; D42-N45 WeakPolarHBondContact O-CB 3.44Å; D42-N45 PolarHBondContact O-N 2.96Å; D42-N45 VanDerWaalsContact O-N 3.09Å
43V82.6Confident89.6Confident87 Ų8739.6 Ų39.653%0.52721%0.214SC..G310 helixtrans-59-37.9176.8178.70000111.8N45 L46 V57V43-N45 PolarHBondContact O-N 2.71Å; V43-N45 VanDerWaalsContact O-N 3.09Å; V43-L46 WeakPolarHBondContact O-CG 3.41Å; V43-L46 PolarHBondContact O-N 3.48Å; V43-V57 HydrophobicContact CG2-CG1 4.25Å; V43-V57 HydrophobicContact CG2-CG2 3.96Å
44S77.1Confident89.4Confident49 Ų4947.6 Ų47.634%0.34325%0.249SC..G310 helixtrans-61.9-15.417866.30000113.7D42 N47 R48D42-S44 VanDerWaalsContact C-N 3.25Å; D42-S44 PolarHBondContact O-N 3.19Å; D42-S44 VanDerWaalsContact OD1-CB 3.24Å; D42-S44 WeakPolarHBondContact OD1-CB 3.38Å; D42-S44 PolarHBondContact OD1-N 3.28Å; D42-S44 PolarHBondContact OD1-OG 2.95Å; S44-N47 PolarHBondContact O-OD1 3.32Å; S44-R48 PolarHBondContact O-NH1 3.37Å
45N82.7Confident89.2Confident13 Ų1355 Ų557%0.0728%0.28CS..G310 helixtrans-82.7-24-178.6-61.7172.4000112.7D42 V43 N47 R48 Q49 K61D42-N45 PolarHBondContact N-OD1 3.36Å; D42-N45 VanDerWaalsContact N-OD1 3.08Å; D42-N45 WeakPolarHBondContact O-CB 3.44Å; D42-N45 PolarHBondContact O-N 2.96Å; D42-N45 VanDerWaalsContact O-N 3.09Å; V43-N45 PolarHBondContact O-N 2.71Å; V43-N45 VanDerWaalsContact O-N 3.09Å; N45-N47 PolarHBondContact O-N 3.21Å; N45-N47 VanDerWaalsContact O-N 3.14Å; N45-R48 PolarHBondContact O-N 3.4Å; N45-Q49 HydrophobicContact CB-CB 4.49Å; N45-Q49 HydrophobicContact CB-CG 4.25Å; N45-Q49 WeakPolarHBondContact O-CB 3.33Å; N45-Q49 WeakPolarHBondContact O-CG 3.43Å; N45-Q49 PolarHBondContact O-N 3.45Å; N45-K61 VanDerWaalsContact OD1-CE 3.27Å; N45-K61 WeakPolarHBondContact OD1-CE 3.29Å
46L88.4Confident89.1Confident51 Ų5155.6 Ų55.627%0.26728%0.283SS..THydrogen-bonded Turntrans-68.3-17.3-166.1-58.8-176.6000114.6I41 V43 R48 F52 K54I41-L46 HydrophobicContact CG2-CD2 4.31Å; V43-L46 WeakPolarHBondContact O-CG 3.41Å; V43-L46 PolarHBondContact O-N 3.48Å; L46-R48 VanDerWaalsContact C-N 3.28Å; L46-R48 PolarHBondContact O-N 3.2Å; L46-F52 HydrophobicContact CD2-CB 3.82Å; L46-K54 HydrophobicContact CD1-CB 4.29Å
47N80.8Confident88.7Confident107 Ų10758.2 Ų58.257%0.57230%0.299SS*.THydrogen-bonded Turntrans-74.4-1617871.9-31.4000113.8S44 N45S44-N47 PolarHBondContact O-OD1 3.32Å; N45-N47 PolarHBondContact O-N 3.21Å; N45-N47 VanDerWaalsContact O-N 3.14Å
48R86.4Confident88.3Confident60 Ų6060 Ų6023%0.22632%0.321CS..THydrogen-bonded Turntrans-144.3-4.8-17269.9-169.4176.3-81.78.4115.5S44 N45 L46 A454 A456S44-R48 PolarHBondContact O-NH1 3.37Å; N45-R48 PolarHBondContact O-N 3.4Å; L46-R48 VanDerWaalsContact C-N 3.28Å; L46-R48 PolarHBondContact O-N 3.2Å; R48-A454 VanDerWaalsContact NE-CB 3.31Å; R48-A456 HydrophobicContact CB-CB 4.18Å
49Q91.1Very high88.8Confident8 Ų862.4 Ų62.44%0.03732%0.324CS..  trans-113.476178.6-58.5-177.512.500108.8N45 L51 F52N45-Q49 HydrophobicContact CB-CB 4.49Å; N45-Q49 HydrophobicContact CB-CG 4.25Å; N45-Q49 WeakPolarHBondContact O-CB 3.33Å; N45-Q49 WeakPolarHBondContact O-CG 3.43Å; N45-Q49 PolarHBondContact O-N 3.45Å; Q49-L51 PolarHBondContact O-N 3.15Å; Q49-F52 HydrophobicContact CB-CD2 3.46Å; Q49-F52 VanDerWaalsContact CB-CD2 3.46Å; Q49-F52 HydrophobicContact CB-CE2 3.82Å; Q49-F52 HydrophobicContact CB-CG 4.41Å; Q49-F52 HydrophobicContact CG-CD2 4.39Å; Q49-F52 HydrophobicContact CG-CE2 4.45Å; Q49-F52 PolarHBondContact O-N 3.41Å; Q49-F52 VanDerWaalsContact OE1-CD2 3.25Å
50F95.6Very high89.4Confident90 Ų9059.9 Ų59.940%0.39531%0.311SS..THydrogen-bonded Turntrans-65.1-14.8-16480.1-83.5000115C19 E20 K23 F52C19-F50 HydrophobicContact CB-CD1 4.1Å; C19-F50 HydrophobicContact CB-CE1 3.92Å; E20-F50 HydrophobicContact CG-CD1 4.48Å; E20-F50 HydrophobicContact CG-CE1 4.33Å; E20-F50 WeakPolarHBondContact OE1-CD1 3.24Å; K23-F50 HydrophobicContact CB-CE1 4.44Å; K23-F50 HydrophobicContact CB-CZ 3.85Å; K23-F50 HydrophobicContact CD-CE1 4.4Å; K23-F50 HydrophobicContact CD-CE2 4.27Å; K23-F50 HydrophobicContact CD-CZ 3.71Å; K23-F50 HydrophobicContact CG-CZ 4.29Å; F50-F52 PolarHBondContact O-N 3.22Å
51L97.2Very high89.9Confident9 Ų957.3 Ų57.35%0.04729%0.294CS..THydrogen-bonded Turntrans-73.2-10.8173.2-65.4177.4000112.2C19 L22 Q49 A65 N68 V69 F72C19-L51 HydrophobicContact CB-CD1 3.92Å; C19-L51 HydrophobicContact CB-CG 4.04Å; L22-L51 HydrophobicContact CD2-CD1 4.04Å; Q49-L51 PolarHBondContact O-N 3.15Å; L51-A65 HydrophobicContact CD1-CB 3.93Å; L51-N68 HydrophobicContact CD2-CB 4.32Å; L51-N68 PolarHBondContact O-ND2 3.5Å; L51-V69 HydrophobicContact CD1-CG2 3.83Å; L51-V69 HydrophobicContact CD2-CG2 3.87Å; L51-F72 HydrophobicContact CD2-CE1 4.09Å; L51-F72 HydrophobicContact CD2-CZ 4.46Å
52F96.5Very high90.3Very high12 Ų1257.2 Ų57.25%0.05329%0.293CS..  trans-108.3152.2-175.8-49.7-34.2000111.5A14 I41 L46 Q49 F50 K61 T64 A65A14-F52 WeakPolarHBondContact O-CE2 3.21Å; A14-F52 WeakPolarHBondContact O-CZ 3.39Å; I41-F52 HydrophobicContact CD1-CB 4.14Å; I41-F52 HydrophobicContact CD1-CD1 3.49Å; I41-F52 VanDerWaalsContact CD1-CD1 3.49Å; I41-F52 HydrophobicContact CD1-CD2 4.25Å; I41-F52 HydrophobicContact CD1-CE1 3.96Å; I41-F52 HydrophobicContact CD1-CG 3.69Å; I41-F52 HydrophobicContact CG1-CB 4.4Å; I41-F52 HydrophobicContact CG1-CD1 4.06Å; I41-F52 HydrophobicContact CG1-CD2 3.91Å; I41-F52 HydrophobicContact CG1-CE1 4.36Å; I41-F52 HydrophobicContact CG1-CE2 4.21Å; I41-F52 HydrophobicContact CG1-CG 3.85Å; I41-F52 HydrophobicContact CG1-CZ 4.44Å; I41-F52 HydrophobicContact CG2-CB 3.93Å; I41-F52 HydrophobicContact CG2-CD2 4.35Å; I41-F52 HydrophobicContact CG2-CG 4.22Å; L46-F52 HydrophobicContact CD2-CB 3.82Å; Q49-F52 HydrophobicContact CB-CD2 3.46Å; Q49-F52 VanDerWaalsContact CB-CD2 3.46Å; Q49-F52 HydrophobicContact CB-CE2 3.82Å; Q49-F52 HydrophobicContact CB-CG 4.41Å; Q49-F52 HydrophobicContact CG-CD2 4.39Å; Q49-F52 HydrophobicContact CG-CE2 4.45Å; Q49-F52 PolarHBondContact O-N 3.41Å; Q49-F52 VanDerWaalsContact OE1-CD2 3.25Å; F50-F52 PolarHBondContact O-N 3.22Å; F52-K61 HydrophobicContact CE2-CB 4.24Å; F52-K61 HydrophobicContact CE2-CD 4.41Å; F52-K61 HydrophobicContact CE2-CG 4.03Å; F52-K61 HydrophobicContact CZ-CB 3.93Å; F52-K61 HydrophobicContact CZ-CG 4.21Å; F52-T64 HydrophobicContact CD1-CG2 3.85Å; F52-T64 HydrophobicContact CE1-CG2 4.17Å; F52-A65 HydrophobicContact CE1-CB 3.97Å; F52-A65 HydrophobicContact CZ-CB 4.19Å
53S95.2Very high91.2Very high40 Ų4058.4 Ų58.428%0.2830%0.297SS..  trans-143.5167.3180660000109.2K55 H56S53-K55 PolarHBondContact O-N 3.08Å; S53-K55 VanDerWaalsContact O-N 3.08Å; S53-K55 WeakPolarHBondContact OG-CG 3.18Å; S53-H56 PolarHBondContact N-ND1 3.23Å; S53-H56 WeakPolarHBondContact O-CB 3.34Å; S53-H56 PolarHBondContact O-N 2.99Å; S53-H56 PolarHBondContact OG-CE1 3.4Å; S53-H56 VanDerWaalsContact OG-CE1 3.3Å; S53-H56 PolarHBondContact OG-ND1 3.25Å
54K94.1Very high92Very high170 Ų17054.5 Ų54.574%0.73927%0.273SS*.G310 helixtrans-56.2-31.3-175.4-166.8168.9-176.6175.30113.9L46 H56 V57L46-K54 HydrophobicContact CD1-CB 4.29Å; K54-H56 PolarHBondContact O-N 3.46Å; K54-V57 WeakPolarHBondContact O-CG2 3.45Å; K54-V57 PolarHBondContact O-N 2.82Å
55K96.2Very high93Very high167 Ų16752.2 Ų52.273%0.72626%0.258SS*.G310 helixtrans-71.2-10.5175.963.3173.2-172.5-175.60114.4S53S53-K55 PolarHBondContact O-N 3.08Å; S53-K55 VanDerWaalsContact O-N 3.08Å; S53-K55 WeakPolarHBondContact OG-CG 3.18Å
56H96.3Very high93.8Very high13 Ų1354.7 Ų54.76%0.0627%0.266CS..G310 helixtrans-99.4-5.1-179.5-56150.7000113.2I41 S53 K54 G58 R59 T64 N68I41-H56 HydrophobicContact CD1-CB 3.67Å; S53-H56 PolarHBondContact N-ND1 3.23Å; S53-H56 WeakPolarHBondContact O-CB 3.34Å; S53-H56 PolarHBondContact O-N 2.99Å; S53-H56 PolarHBondContact OG-CE1 3.4Å; S53-H56 VanDerWaalsContact OG-CE1 3.3Å; S53-H56 PolarHBondContact OG-ND1 3.25Å; K54-H56 PolarHBondContact O-N 3.46Å; H56-G58 PolarHBondContact O-N 3.03Å; H56-R59 VanDerWaalsContact O-CB 3.29Å; H56-R59 WeakPolarHBondContact O-CB 3.4Å; H56-R59 WeakPolarHBondContact O-CG 3.33Å; H56-R59 PolarHBondContact O-N 3.43Å; H56-T64 HydrophobicContact CB-CG2 3.94Å; H56-N68 PolarHBondContact CE1-ND2 2.98Å; H56-N68 VanDerWaalsContact CE1-ND2 3.31Å
57V87.8Confident94.2Very high58 Ų5855.6 Ų55.635%0.35227%0.271SS..THydrogen-bonded Turntrans-55.7134.3-179.4174.70000110.2I41 V43 K54 R59I41-V57 HydrophobicContact CG2-CG2 4.49Å; I41-V57 CarbonylContact O-C 3.59Å; I41-V57 WeakPolarHBondContact O-CA 3.47Å; V43-V57 HydrophobicContact CG2-CG1 4.25Å; V43-V57 HydrophobicContact CG2-CG2 3.96Å; K54-V57 WeakPolarHBondContact O-CG2 3.45Å; K54-V57 PolarHBondContact O-N 2.82Å; V57-R59 VanDerWaalsContact C-N 3.32Å
58G85.7Confident95Very high52 Ų5252.5 Ų52.554%0.53625%0.254SS..THydrogen-bonded Turntrans82.5-4.9-175.100000115.5I41 H56I41-G58 PolarHBondContact O-N 3.14Å; H56-G58 PolarHBondContact O-N 3.03Å
59R95Very high95.6Very high140 Ų14049.7 Ų49.753%0.52824%0.244SC..SBendtrans-91.4158.8175.1-52.5-178.8100-164.35.6110.8T40 I41 H56 V57 K61T40-R59 CarbonylContact C-O 3.59Å; T40-R59 VanDerWaalsContact CA-O 3.23Å; T40-R59 WeakPolarHBondContact CA-O 3.48Å; T40-R59 WeakPolarHBondContact CB-O 3.46Å; I41-R59 WeakPolarHBondContact CG1-O 3.47Å; I41-R59 PolarHBondContact N-O 3.34Å; H56-R59 VanDerWaalsContact O-CB 3.29Å; H56-R59 WeakPolarHBondContact O-CB 3.4Å; H56-R59 WeakPolarHBondContact O-CG 3.33Å; H56-R59 PolarHBondContact O-N 3.43Å; V57-R59 VanDerWaalsContact C-N 3.32Å; R59-K61 PolarHBondContact O-N 2.88Å
60S96.1Very high95.9Very high6 Ų651.7 Ų51.74%0.04226%0.255CS..BIsolated β-bridgetrans-55.8134.2176.2172.80000112.1A62 E63 T64 H82S60-A62 PolarHBondContact OG-N 3.06Å; S60-E63 PolarHBondContact OG-N 3.28Å; S60-T64 WeakPolarHBondContact O-CB 3.26Å; S60-T64 PolarHBondContact O-N 2.98Å; S60-T64 VanDerWaalsContact O-N 3.13Å; S60-T64 PolarHBondContact O-OG1 3.34Å; S60-H82 VanDerWaalsContact OG-CB 3.3Å; S60-H82 WeakPolarHBondContact OG-CB 3.46Å; S60-H82 VanDerWaalsContact OG-CG 3.27Å
61K95.6Very high95.9Very high14 Ų1451.2 Ų51.26%0.06127%0.267CS..Hα-helixtrans-63-49172.7-69.8-176.4-171.8157.70111.7A14 D37 D39 T40 I41 N45 F52 R59 A65A14-K61 HydrophobicContact CB-CB 4.01Å; D37-K61 HydrophobicContact CB-CB 4.33Å; D39-K61 HydrophobicContact CB-CD 3.81Å; D39-K61 HydrophobicContact CB-CG 4.36Å; D39-K61 VanDerWaalsContact CB-NZ 3.28Å; D39-K61 PolarHBondContact O-N 2.75Å; D39-K61 IonicContact OD2-NZ 2.68Å; D39-K61 PolarHBondContact OD2-NZ 3.38Å; T40-K61 VanDerWaalsContact O-CE 3.23Å; T40-K61 WeakPolarHBondContact O-CE 3.41Å; I41-K61 HydrophobicContact CG1-CG 3.8Å; N45-K61 VanDerWaalsContact OD1-CE 3.27Å; N45-K61 WeakPolarHBondContact OD1-CE 3.29Å; F52-K61 HydrophobicContact CE2-CB 4.24Å; F52-K61 HydrophobicContact CE2-CD 4.41Å; F52-K61 HydrophobicContact CE2-CG 4.03Å; F52-K61 HydrophobicContact CZ-CB 3.93Å; F52-K61 HydrophobicContact CZ-CG 4.21Å; R59-K61 PolarHBondContact O-N 2.88Å; K61-A65 WeakPolarHBondContact O-CB 3.22Å; K61-A65 PolarHBondContact O-N 2.83Å
62A97.5Very high95.8Very high0 Ų054.9 Ų54.90%028%0.283CS..Hα-helixtrans-61.5-49.7-176.700000112.4I35 D37 S60 A65 R66 A80I35-A62 HydrophobicContact CG2-CB 4.06Å; D37-A62 HydrophobicContact CB-CB 3.94Å; S60-A62 PolarHBondContact OG-N 3.06Å; A62-A65 PolarHBondContact O-N 3.34Å; A62-R66 PolarHBondContact O-N 3.05Å; A62-A80 HydrophobicContact CB-CB 4.11Å; A62-A80 WeakPolarHBondContact O-CB 3.29Å
63E98.5Very high95.8Very high81 Ų8158.8 Ų58.838%0.37930%0.297SS..Hα-helixtrans-68.3-42.1-178-60.3178.4154.700111.6S60 A65 R66 D67 A80S60-E63 PolarHBondContact OG-N 3.28Å; E63-A65 VanDerWaalsContact C-N 3.34Å; E63-A65 PolarHBondContact O-N 3.5Å; E63-R66 WeakPolarHBondContact O-CB 3.01Å; E63-R66 PolarHBondContact O-N 3Å; E63-D67 VanDerWaalsContact O-CG 3.27Å; E63-D67 PolarHBondContact O-N 3.23Å; E63-A80 HydrophobicContact CG-CB 4.26Å
64T98.4Very high95.8Very high5 Ų561.9 Ų61.93%0.03132%0.317CS..Hα-helixtrans-66.5-37.3177.7-57.40000111.5I41 F52 H56 S60 D67 N68I41-T64 HydrophobicContact CD1-CG2 3.64Å; F52-T64 HydrophobicContact CD1-CG2 3.85Å; F52-T64 HydrophobicContact CE1-CG2 4.17Å; H56-T64 HydrophobicContact CB-CG2 3.94Å; S60-T64 WeakPolarHBondContact O-CB 3.26Å; S60-T64 PolarHBondContact O-N 2.98Å; S60-T64 VanDerWaalsContact O-N 3.13Å; S60-T64 PolarHBondContact O-OG1 3.34Å; T64-D67 PolarHBondContact O-N 2.9Å; T64-N68 VanDerWaalsContact CG2-ND2 3.27Å; T64-N68 WeakPolarHBondContact CG2-ND2 3.29Å; T64-N68 PolarHBondContact O-N 3.09Å; T64-N68 PolarHBondContact O-ND2 3.29Å
65A98.4Very high95.8Very high1 Ų158.5 Ų58.51%0.00831%0.31CS..Hα-helixtrans-62.4-47175.200000110.8L22 L51 F52 K61 A62 E63 D67 N68 V69L22-A65 HydrophobicContact CD2-CB 3.97Å; L51-A65 HydrophobicContact CD1-CB 3.93Å; F52-A65 HydrophobicContact CE1-CB 3.97Å; F52-A65 HydrophobicContact CZ-CB 4.19Å; K61-A65 WeakPolarHBondContact O-CB 3.22Å; K61-A65 PolarHBondContact O-N 2.83Å; A62-A65 PolarHBondContact O-N 3.34Å; E63-A65 VanDerWaalsContact C-N 3.34Å; E63-A65 PolarHBondContact O-N 3.5Å; A65-D67 PolarHBondContact O-N 3.48Å; A65-N68 PolarHBondContact O-N 3.01Å; A65-V69 VanDerWaalsContact O-CG2 3.31Å; A65-V69 WeakPolarHBondContact O-CG2 3.34Å; A65-V69 PolarHBondContact O-N 3.24Å
66R98.4Very high95.7Very high65 Ų6551 Ų5125%0.24528%0.279CS..Hα-helixtrans-52.8-55.2172.9175-160.370.6-156.5-4.6111.2A62 E63 N68 V69 L70 I78 A80A62-R66 PolarHBondContact O-N 3.05Å; E63-R66 WeakPolarHBondContact O-CB 3.01Å; E63-R66 PolarHBondContact O-N 3Å; R66-N68 VanDerWaalsContact C-N 3.35Å; R66-N68 PolarHBondContact O-N 3.5Å; R66-V69 PolarHBondContact O-N 3.21Å; R66-L70 HydrophobicContact CG-CD1 3.73Å; R66-L70 HydrophobicContact CG-CG 4.31Å; R66-L70 WeakPolarHBondContact O-CG 3.42Å; R66-L70 PolarHBondContact O-N 3.38Å; R66-I78 HydrophobicContact CB-CG2 3.87Å; R66-I78 VanDerWaalsContact CD-O 3.25Å; R66-I78 WeakPolarHBondContact CD-O 3.39Å; R66-I78 HydrophobicContact CG-CB 3.84Å; R66-I78 HydrophobicContact CG-CG2 3.7Å; R66-A80 HydrophobicContact CB-CB 3.98Å
67D98.2Very high95.7Very high70 Ų7055.6 Ų55.637%0.37430%0.3SS..Hα-helixtrans-61.5-42.7-173.5-68.3-9.2000112E63 T64 A65 L70 A71E63-D67 VanDerWaalsContact O-CG 3.27Å; E63-D67 PolarHBondContact O-N 3.23Å; T64-D67 PolarHBondContact O-N 2.9Å; A65-D67 PolarHBondContact O-N 3.48Å; D67-L70 PolarHBondContact O-N 3.09Å; D67-A71 PolarHBondContact O-N 3.09Å; D67-A71 VanDerWaalsContact O-N 3.11Å
68N97.8Very high96.2Very high42 Ų4253.4 Ų53.423%0.22529%0.287CS..Hα-helixtrans-69.3-34.4178.5-72.5-58.2000112.4L51 H56 T64 A65 R66 A71 F72L51-N68 HydrophobicContact CD2-CB 4.32Å; L51-N68 PolarHBondContact O-ND2 3.5Å; H56-N68 PolarHBondContact CE1-ND2 2.98Å; H56-N68 VanDerWaalsContact CE1-ND2 3.31Å; T64-N68 VanDerWaalsContact CG2-ND2 3.27Å; T64-N68 WeakPolarHBondContact CG2-ND2 3.29Å; T64-N68 PolarHBondContact O-N 3.09Å; T64-N68 PolarHBondContact O-ND2 3.29Å; A65-N68 PolarHBondContact O-N 3.01Å; R66-N68 VanDerWaalsContact C-N 3.35Å; R66-N68 PolarHBondContact O-N 3.5Å; N68-A71 WeakPolarHBondContact O-CB 3.31Å; N68-A71 PolarHBondContact O-N 3.43Å; N68-F72 WeakPolarHBondContact O-CD1 3.26Å; N68-F72 VanDerWaalsContact O-CE1 3.29Å; N68-F72 WeakPolarHBondContact O-CE1 3.49Å
69V97.9Very high96.8Very high0 Ų053 Ų530%027%0.273CS..Hα-helixtrans-70.2-42174.81740000111.9L22 V26 L51 A65 R66 A71 F72 R73 I78L22-V69 HydrophobicContact CD2-CB 4.25Å; L22-V69 HydrophobicContact CD2-CG2 3.52Å; L22-V69 HydrophobicContact CG-CG2 3.85Å; V26-V69 HydrophobicContact CB-CG1 4.41Å; V26-V69 HydrophobicContact CG1-CG1 3.77Å; V26-V69 HydrophobicContact CG2-CG1 3.94Å; L51-V69 HydrophobicContact CD1-CG2 3.83Å; L51-V69 HydrophobicContact CD2-CG2 3.87Å; A65-V69 VanDerWaalsContact O-CG2 3.31Å; A65-V69 WeakPolarHBondContact O-CG2 3.34Å; A65-V69 PolarHBondContact O-N 3.24Å; R66-V69 PolarHBondContact O-N 3.21Å; V69-A71 PolarHBondContact O-N 3.22Å; V69-F72 HydrophobicContact CB-CE1 4.31Å; V69-F72 HydrophobicContact CB-CZ 4.04Å; V69-F72 HydrophobicContact CG1-CE2 4.11Å; V69-F72 HydrophobicContact CG1-CZ 4.02Å; V69-F72 HydrophobicContact CG2-CE1 4.04Å; V69-F72 HydrophobicContact CG2-CZ 3.7Å; V69-F72 PolarHBondContact O-N 3.48Å; V69-R73 PolarHBondContact O-N 3.45Å; V69-I78 HydrophobicContact CB-CD1 3.96Å; V69-I78 HydrophobicContact CG1-CD1 3.52Å
70L97.6Very high97Very high51 Ų5146.9 Ų46.927%0.26725%0.253SS..Hα-helixtrans-62.8-27.3176.2-69.4175.6000112.4R66 D67 F72 R73 P74 A76 I78R66-L70 HydrophobicContact CG-CD1 3.73Å; R66-L70 HydrophobicContact CG-CG 4.31Å; R66-L70 WeakPolarHBondContact O-CG 3.42Å; R66-L70 PolarHBondContact O-N 3.38Å; D67-L70 PolarHBondContact O-N 3.09Å; L70-F72 VanDerWaalsContact C-N 3.33Å; L70-F72 PolarHBondContact O-N 3.17Å; L70-R73 CarbonylContact O-C 3.56Å; L70-P74 WeakPolarHBondContact O-CA 3.13Å; L70-P74 WeakPolarHBondContact O-CG 3.37Å; L70-A76 HydrophobicContact CD2-CB 4.42Å; L70-A76 WeakPolarHBondContact CD2-O 3.44Å; L70-I78 HydrophobicContact CD2-CD1 4.26Å; L70-I78 HydrophobicContact CD2-CG1 4.43Å; L70-I78 HydrophobicContact CG-CD1 4.44Å
71A96.4Very high97.1Very high80 Ų8050.7 Ų50.766%0.66127%0.268SS*.Hα-helixtrans-62.3-36.9175.300000113.2D67 N68 V69D67-A71 PolarHBondContact O-N 3.09Å; D67-A71 VanDerWaalsContact O-N 3.11Å; N68-A71 WeakPolarHBondContact O-CB 3.31Å; N68-A71 PolarHBondContact O-N 3.43Å; V69-A71 PolarHBondContact O-N 3.22Å
72F95.3Very high97.1Very high86 Ų8653.7 Ų53.738%0.37728%0.281SS..Hα-helixtrans-104.5-13.717863.9-105.4000114V26 Y27 L51 N68 V69 L70V26-F72 HydrophobicContact CG2-CE2 4.12Å; Y27-F72 HydrophobicContact CE2-CE2 4.24Å; L51-F72 HydrophobicContact CD2-CE1 4.09Å; L51-F72 HydrophobicContact CD2-CZ 4.46Å; N68-F72 WeakPolarHBondContact O-CD1 3.26Å; N68-F72 VanDerWaalsContact O-CE1 3.29Å; N68-F72 WeakPolarHBondContact O-CE1 3.49Å; V69-F72 HydrophobicContact CB-CE1 4.31Å; V69-F72 HydrophobicContact CB-CZ 4.04Å; V69-F72 HydrophobicContact CG1-CE2 4.11Å; V69-F72 HydrophobicContact CG1-CZ 4.02Å; V69-F72 HydrophobicContact CG2-CE1 4.04Å; V69-F72 HydrophobicContact CG2-CZ 3.7Å; V69-F72 PolarHBondContact O-N 3.48Å; L70-F72 VanDerWaalsContact C-N 3.33Å; L70-F72 PolarHBondContact O-N 3.17Å
73R95.4Very high96.9Very high94 Ų9458.4 Ų58.436%0.35530%0.302SS..  trans-133.574172.7-166.677.1175.8163.10.9111.7V26 V69 L70 T75 A76V26-R73 HydrophobicContact CB-CB 4.5Å; V26-R73 HydrophobicContact CB-CG 4.13Å; V26-R73 HydrophobicContact CG2-CB 4.48Å; V69-R73 PolarHBondContact O-N 3.45Å; L70-R73 CarbonylContact O-C 3.56Å; R73-T75 PolarHBondContact O-N 2.98Å; R73-A76 HydrophobicContact CG-CB 4.07Å; R73-A76 PolarHBondContact O-N 2.89Å
74P95.3Very high96.5Very high105 Ų10556.5 Ų56.568%0.68230%0.297SS*.THydrogen-bonded Turntrans-66.5-12.9-176.8-20.632000115.1L70L70-P74 WeakPolarHBondContact O-CA 3.13Å; L70-P74 WeakPolarHBondContact O-CG 3.37Å
75T93.5Very high96.2Very high99 Ų9956.6 Ų56.661%0.60730%0.298SS*.THydrogen-bonded Turntrans-87.1-9.5-179.247.90000113.6R73R73-T75 PolarHBondContact O-N 2.98Å
76A95.3Very high95.7Very high9 Ų958.7 Ų58.77%0.07431%0.307CS..  trans-76.2146.9173.600000110.3V26 L70 R73 I78V26-A76 HydrophobicContact CG1-CB 4.01Å; L70-A76 HydrophobicContact CD2-CB 4.42Å; L70-A76 WeakPolarHBondContact CD2-O 3.44Å; R73-A76 HydrophobicContact CG-CB 4.07Å; R73-A76 PolarHBondContact O-N 2.89Å; A76-I78 HydrophobicContact CB-CD1 4.11Å; A76-I78 HydrophobicContact CB-CG1 4.04Å
77H96.5Very high95.2Very high109 Ų10957.2 Ų57.251%0.50531%0.307SS..EExtended strand (participates in β ladder)trans-107.1105171.3173.3-114.7000108.4N31 D32 I33N31-H77 CarbonylContact O-C 3.55Å; N31-H77 WeakPolarHBondContact O-CA 3.36Å; N31-H77 PolarHBondContact O-N 3.47Å; D32-H77 WeakPolarHBondContact CA-O 3.13Å; D32-H77 IonicContact OD1-CG 3.4Å; D32-H77 IonicContact OD1-ND1 3.43Å; D32-H77 PolarHBondContact OD1-ND1 2.92Å; I33-H77 PolarHBondContact N-O 2.78Å
78I98.1Very high94.6Very high12 Ų1258.5 Ų58.56%0.06232%0.321CS..EExtended strand (participates in β ladder)trans-120.7117.7-173.9-55.6174000109.4L22 V26 I33 I35 R66 V69 L70 A76L22-I78 HydrophobicContact CD1-CD1 4.3Å; V26-I78 HydrophobicContact CG1-CD1 4.31Å; I33-I78 HydrophobicContact CB-CG1 4.35Å; I33-I78 CarbonylContact O-C 3.41Å; I33-I78 VanDerWaalsContact O-CA 3.25Å; I33-I78 WeakPolarHBondContact O-CA 3.4Å; I35-I78 HydrophobicContact CD1-CG2 3.46Å; I35-I78 VanDerWaalsContact CD1-CG2 3.46Å; I35-I78 HydrophobicContact CG1-CG2 4.02Å; R66-I78 HydrophobicContact CB-CG2 3.87Å; R66-I78 VanDerWaalsContact CD-O 3.25Å; R66-I78 WeakPolarHBondContact CD-O 3.39Å; R66-I78 HydrophobicContact CG-CB 3.84Å; R66-I78 HydrophobicContact CG-CG2 3.7Å; V69-I78 HydrophobicContact CB-CD1 3.96Å; V69-I78 HydrophobicContact CG1-CD1 3.52Å; L70-I78 HydrophobicContact CD2-CD1 4.26Å; L70-I78 HydrophobicContact CD2-CG1 4.43Å; L70-I78 HydrophobicContact CG-CD1 4.44Å; A76-I78 HydrophobicContact CB-CD1 4.11Å; A76-I78 HydrophobicContact CB-CG1 4.04Å
79V98.3Very high94.2Very high43 Ų4359.1 Ų59.126%0.26133%0.328SS..EExtended strand (participates in β ladder)trans-98.1130.8172.6-177.70000108.4I33 T34 I35 Y81I33-V79 PolarHBondContact O-N 3.22Å; T34-V79 CarbonylContact C-O 3.55Å; T34-V79 WeakPolarHBondContact CA-O 3.43Å; I35-V79 PolarHBondContact N-O 2.79Å; V79-Y81 HydrophobicContact CG1-CD2 4.25Å; V79-Y81 HydrophobicContact CG1-CE2 3.56Å
80A98.5Very high93.9Very high13 Ų1359.3 Ų59.311%0.10733%0.33CS..EExtended strand (participates in β ladder)trans-121.3131.1-179.200000110.5I35 A62 E63 R66I35-A80 WeakPolarHBondContact O-CA 3.03Å; A62-A80 HydrophobicContact CB-CB 4.11Å; A62-A80 WeakPolarHBondContact O-CB 3.29Å; E63-A80 HydrophobicContact CG-CB 4.26Å; R66-A80 HydrophobicContact CB-CB 3.98Å
81Y98.2Very high93.6Very high86 Ų8660.5 Ų60.534%0.33734%0.336SS..EExtended strand (participates in β ladder)trans-115.2116.8173.5-64.7-81000109.6T34 I35 V36 D37 V79 K83 F90 F94T34-Y81 HydrophobicContact CG2-CD2 3.78Å; T34-Y81 HydrophobicContact CG2-CE2 3.63Å; I35-Y81 PolarHBondContact O-N 3.36Å; V36-Y81 HydrophobicContact CG2-CD2 4.12Å; D37-Y81 PolarHBondContact N-O 3.32Å; D37-Y81 VanDerWaalsContact N-O 3.11Å; D37-Y81 VanDerWaalsContact O-O 3.08Å; V79-Y81 HydrophobicContact CG1-CD2 4.25Å; V79-Y81 HydrophobicContact CG1-CE2 3.56Å; Y81-K83 VanDerWaalsContact C-N 3.29Å; Y81-K83 PolarHBondContact O-N 3.06Å; Y81-K83 VanDerWaalsContact O-N 3.15Å; Y81-F90 HydrophobicContact CD1-CE1 4.43Å; Y81-F90 HydrophobicContact CD1-CZ 4.37Å; Y81-F90 HydrophobicContact CD2-CE1 4.21Å; Y81-F90 HydrophobicContact CD2-CZ 4.43Å; Y81-F90 HydrophobicContact CG-CE1 4.15Å; Y81-F90 HydrophobicContact CG-CZ 4.01Å; Y81-F94 HydrophobicContact CE2-CE2 4.34Å
82H96.4Very high93.2Very high76 Ų7658.6 Ų58.635%0.35232%0.318SS..EExtended strand (participates in β ladder)trans-8276.1165.8-172.8-157.6000109.5D37 L38 S60D37-H82 CarbonylContact O-C 3.41Å; D37-H82 VanDerWaalsContact O-CA 3.24Å; D37-H82 WeakPolarHBondContact O-CA 3.49Å; L38-H82 PolarHBondContact O-CD2 3.36Å; L38-H82 PolarHBondContact O-NE2 2.93Å; S60-H82 VanDerWaalsContact OG-CB 3.3Å; S60-H82 WeakPolarHBondContact OG-CB 3.46Å; S60-H82 VanDerWaalsContact OG-CG 3.27Å
83K92.6Very high93.1Very high99 Ų9961.1 Ų61.143%0.4333%0.331SS..SBendtrans-153.2153.2-174.7-74.8-167.8175-174.60111.3V36 D37 Y81 F90V36-K83 VanDerWaalsContact CG1-O 3.27Å; V36-K83 WeakPolarHBondContact CG1-O 3.18Å; D37-K83 CarbonylContact C-O 3.54Å; D37-K83 PolarHBondContact O-N 2.97Å; Y81-K83 VanDerWaalsContact C-N 3.29Å; Y81-K83 PolarHBondContact O-N 3.06Å; Y81-K83 VanDerWaalsContact O-N 3.15Å; K83-F90 HydrophobicContact CB-CE2 3.91Å; K83-F90 HydrophobicContact CB-CZ 4.11Å; K83-F90 HydrophobicContact CD-CZ 4.34Å
84S89.3Confident93.1Very high41 Ų4157.2 Ų57.229%0.28732%0.316SS..  trans-64.3135.1166.5178.50000111.1F86 S87 F90S84-F86 PolarHBondContact O-N 3.15Å; S84-F86 VanDerWaalsContact O-N 3.16Å; S84-F86 VanDerWaalsContact OG-CD2 3.29Å; S84-F86 WeakPolarHBondContact OG-CD2 3.31Å; S84-F86 PolarHBondContact OG-N 3.15Å; S84-S87 VanDerWaalsContact O-CB 3.24Å; S84-S87 WeakPolarHBondContact O-CB 3.37Å; S84-S87 PolarHBondContact O-N 3.45Å; S84-F90 WeakPolarHBondContact O-CD2 3.33Å; S84-F90 VanDerWaalsContact O-CE2 3.27Å; S84-F90 WeakPolarHBondContact O-CE2 3.23Å
85I92.1Very high93.2Very high7 Ų752.2 Ų52.24%0.03628%0.284CS..THydrogen-bonded Turntrans-61.9-21175.5-16759.1000112.2V12 V36 S87 F90 F95 A110 H113 V114V12-I85 HydrophobicContact CG1-CB 3.95Å; V12-I85 HydrophobicContact CG1-CD1 4.02Å; V12-I85 HydrophobicContact CG1-CG1 3.78Å; V12-I85 HydrophobicContact CG1-CG2 4.37Å; V12-I85 HydrophobicContact CG2-CD1 4.32Å; V36-I85 HydrophobicContact CB-CD1 4.41Å; V36-I85 HydrophobicContact CG1-CB 4.41Å; V36-I85 HydrophobicContact CG1-CD1 4.12Å; V36-I85 HydrophobicContact CG2-CD1 4.45Å; I85-S87 PolarHBondContact O-N 2.72Å; I85-F90 HydrophobicContact CD1-CB 4.23Å; I85-F90 HydrophobicContact CD1-CD2 4.07Å; I85-F90 HydrophobicContact CD1-CG 4.2Å; I85-F95 HydrophobicContact CD1-CE2 4.43Å; I85-F95 HydrophobicContact CD1-CZ 4.01Å; I85-F95 HydrophobicContact CG1-CZ 4.37Å; I85-A110 HydrophobicContact CG2-CB 3.93Å; I85-H113 PolarHBondContact O-NE2 3.4Å; I85-V114 HydrophobicContact CG1-CG2 3.76Å; I85-V114 HydrophobicContact CG2-CG2 4.4Å
86F87.8Confident93.2Very high45 Ų4549.6 Ų49.620%0.19728%0.277CS..THydrogen-bonded Turntrans-69.1-15.1173.3-60.7-65.8000113S84 S88 A109 A110 H113 L550 R597S84-F86 PolarHBondContact O-N 3.15Å; S84-F86 VanDerWaalsContact O-N 3.16Å; S84-F86 VanDerWaalsContact OG-CD2 3.29Å; S84-F86 WeakPolarHBondContact OG-CD2 3.31Å; S84-F86 PolarHBondContact OG-N 3.15Å; F86-S88 PolarHBondContact O-N 2.74Å; F86-A109 HydrophobicContact CZ-CB 3.94Å; F86-A110 HydrophobicContact CE2-CB 4.16Å; F86-A110 HydrophobicContact CZ-CB 3.89Å; F86-H113 HydrophobicContact CD1-CB 4Å; F86-H113 AromaticContact CD1-CD2 3.53Å; F86-H113 AromaticContact CD1-CG 3.77Å; F86-H113 HydrophobicContact CE1-CB 3.55Å; F86-H113 AromaticContact CE1-CD2 3.97Å; F86-H113 AromaticContact CE1-CG 3.88Å; F86-L550 HydrophobicContact CD1-CD1 3.6Å; F86-L550 HydrophobicContact CD1-CD2 3.47Å; F86-L550 VanDerWaalsContact CD1-CD2 3.47Å; F86-L550 HydrophobicContact CD1-CG 4.19Å; F86-L550 HydrophobicContact CE1-CD1 4.24Å; F86-L550 HydrophobicContact CE1-CD2 3.5Å; F86-L550 HydrophobicContact CE1-CG 4.48Å; F86-L550 HydrophobicContact CG-CD2 4.36Å; F86-L550 HydrophobicContact CZ-CD2 4.43Å; F86-R597 PolarHBondContact O-NH2 3.34Å
87S89Confident93.2Very high35 Ų3555 Ų5525%0.24530%0.298CS..SBendtrans-53.4136.7-177.8-176.20000111.7S84 I85 S89 F90S84-S87 VanDerWaalsContact O-CB 3.24Å; S84-S87 WeakPolarHBondContact O-CB 3.37Å; S84-S87 PolarHBondContact O-N 3.45Å; I85-S87 PolarHBondContact O-N 2.72Å; S87-S89 PolarHBondContact O-N 3.41Å; S87-S89 PolarHBondContact OG-OG 3.34Å; S87-F90 PolarHBondContact O-N 2.88Å
88S85Confident93.2Very high97 Ų9750.2 Ų50.268%0.67828%0.276SS*.THydrogen-bonded Turntrans-56.7-17.7179.451.90000114.3F86 F90F86-S88 PolarHBondContact O-N 2.74Å; S88-F90 PolarHBondContact O-N 2.92Å
89S89.2Confident93Very high54 Ų5451.3 Ų51.338%0.37829%0.285SS..THydrogen-bonded Turntrans-69.9-8.2172.455.80000114.9S87S87-S89 PolarHBondContact O-N 3.41Å; S87-S89 PolarHBondContact OG-OG 3.34Å
90F93Very high93Very high5 Ų549.3 Ų49.32%0.02227%0.272CS..SBendtrans-111.256.8-178.7-54.3-49.5000111.1V36 Y81 K83 S84 I85 S87 S88 F94 F95V36-F90 HydrophobicContact CG1-CE2 3.89Å; V36-F90 HydrophobicContact CG1-CZ 4.06Å; V36-F90 HydrophobicContact CG2-CE1 4.22Å; V36-F90 HydrophobicContact CG2-CZ 4.07Å; Y81-F90 HydrophobicContact CD1-CE1 4.43Å; Y81-F90 HydrophobicContact CD1-CZ 4.37Å; Y81-F90 HydrophobicContact CD2-CE1 4.21Å; Y81-F90 HydrophobicContact CD2-CZ 4.43Å; Y81-F90 HydrophobicContact CG-CE1 4.15Å; Y81-F90 HydrophobicContact CG-CZ 4.01Å; K83-F90 HydrophobicContact CB-CE2 3.91Å; K83-F90 HydrophobicContact CB-CZ 4.11Å; K83-F90 HydrophobicContact CD-CZ 4.34Å; S84-F90 WeakPolarHBondContact O-CD2 3.33Å; S84-F90 VanDerWaalsContact O-CE2 3.27Å; S84-F90 WeakPolarHBondContact O-CE2 3.23Å; I85-F90 HydrophobicContact CD1-CB 4.23Å; I85-F90 HydrophobicContact CD1-CD2 4.07Å; I85-F90 HydrophobicContact CD1-CG 4.2Å; S87-F90 PolarHBondContact O-N 2.88Å; S88-F90 PolarHBondContact O-N 2.92Å; F90-F94 HydrophobicContact CB-CD1 4Å; F90-F94 HydrophobicContact CB-CE1 4.35Å; F90-F94 AromaticContact CD1-CD1 3.78Å; F90-F94 HydrophobicContact CD1-CD1 3.78Å; F90-F94 HydrophobicContact CD1-CD2 4.07Å; F90-F94 AromaticContact CD1-CE1 3.57Å; F90-F94 HydrophobicContact CD1-CE1 3.57Å; F90-F94 AromaticContact CD1-CE2 3.89Å; F90-F94 HydrophobicContact CD1-CE2 3.89Å; F90-F94 HydrophobicContact CD1-CG 4.02Å; F90-F94 AromaticContact CD1-CZ 3.63Å; F90-F94 HydrophobicContact CD1-CZ 3.63Å; F90-F94 HydrophobicContact CE1-CE1 4.26Å; F90-F94 HydrophobicContact CE1-CE2 4.11Å; F90-F94 AromaticContact CE1-CZ 3.89Å; F90-F94 HydrophobicContact CE1-CZ 3.89Å; F90-F94 HydrophobicContact CG-CD1 4.33Å; F90-F94 HydrophobicContact CG-CE1 4.27Å; F90-F95 HydrophobicContact CB-CE2 4.33Å; F90-F95 WeakPolarHBondContact O-CE2 3.46Å
91D90.4Very high93Very high76 Ų7648.7 Ų48.741%0.40627%0.267SS..  trans-80.1-178.4179.264.55.7000113.5E93 F94 F95D91-E93 PolarHBondContact O-N 3.04Å; D91-E93 PolarHBondContact OD1-N 3.06Å; D91-F94 WeakPolarHBondContact O-CB 3.29Å; D91-F94 PolarHBondContact O-N 2.85Å; D91-F94 VanDerWaalsContact O-N 3.07Å; D91-F94 PolarHBondContact OD1-N 2.86Å; D91-F95 WeakPolarHBondContact O-CD2 3.47Å; D91-F95 PolarHBondContact O-N 2.68Å; D91-F95 VanDerWaalsContact O-N 3.08Å
92S89.1Confident93Very high39 Ų3944.6 Ų44.627%0.27325%0.251SS..Hα-helixtrans-60.3-31.9-179-166.10000111.9F95 G96 S120 A121S92-F95 PolarHBondContact O-N 3.39Å; S92-G96 PolarHBondContact O-N 3.27Å; S92-S120 PolarHBondContact OG-OG 3.21Å; S92-A121 PolarHBondContact OG-N 3.19Å
93E92.3Very high93.1Very high139 Ų13941 Ų4165%0.6523%0.234SC*.Hα-helixtrans-66.8-41.5174.7-166.6-164.1135.600111.9D91 G96 K97D91-E93 PolarHBondContact O-N 3.04Å; D91-E93 PolarHBondContact OD1-N 3.06Å; E93-G96 PolarHBondContact O-N 3.07Å; E93-K97 IonicContact OE1-NZ 3.95Å
94F96Very high93.3Very high13 Ų1336.9 Ų36.96%0.05722%0.219CC..Hα-helixtrans-58.3-49172.5173.9-96.1000111.3L10 T34 Y81 F90 D91 G96 K97 F98L10-F94 HydrophobicContact CD1-CE1 4.09Å; L10-F94 HydrophobicContact CD1-CZ 4.1Å; L10-F94 HydrophobicContact CD2-CE1 3.85Å; T34-F94 HydrophobicContact CG2-CZ 4.09Å; Y81-F94 HydrophobicContact CE2-CE2 4.34Å; F90-F94 HydrophobicContact CB-CD1 4Å; F90-F94 HydrophobicContact CB-CE1 4.35Å; F90-F94 AromaticContact CD1-CD1 3.78Å; F90-F94 HydrophobicContact CD1-CD1 3.78Å; F90-F94 HydrophobicContact CD1-CD2 4.07Å; F90-F94 AromaticContact CD1-CE1 3.57Å; F90-F94 HydrophobicContact CD1-CE1 3.57Å; F90-F94 AromaticContact CD1-CE2 3.89Å; F90-F94 HydrophobicContact CD1-CE2 3.89Å; F90-F94 HydrophobicContact CD1-CG 4.02Å; F90-F94 AromaticContact CD1-CZ 3.63Å; F90-F94 HydrophobicContact CD1-CZ 3.63Å; F90-F94 HydrophobicContact CE1-CE1 4.26Å; F90-F94 HydrophobicContact CE1-CE2 4.11Å; F90-F94 AromaticContact CE1-CZ 3.89Å; F90-F94 HydrophobicContact CE1-CZ 3.89Å; F90-F94 HydrophobicContact CG-CD1 4.33Å; F90-F94 HydrophobicContact CG-CE1 4.27Å; D91-F94 WeakPolarHBondContact O-CB 3.29Å; D91-F94 PolarHBondContact O-N 2.85Å; D91-F94 VanDerWaalsContact O-N 3.07Å; D91-F94 PolarHBondContact OD1-N 2.86Å; F94-G96 VanDerWaalsContact C-N 3.32Å; F94-G96 PolarHBondContact O-N 2.96Å; F94-K97 WeakPolarHBondContact O-CB 3.48Å; F94-K97 PolarHBondContact O-N 2.87Å; F94-F98 AromaticContact CD1-CE2 3.97Å; F94-F98 HydrophobicContact CD1-CE2 3.97Å; F94-F98 HydrophobicContact CD2-CE2 4.47Å; F94-F98 AromaticContact CE1-CE2 3.62Å; F94-F98 HydrophobicContact CE1-CE2 3.62Å; F94-F98 HydrophobicContact CE1-CZ 4.11Å; F94-F98 HydrophobicContact CE2-CE2 4.16Å; F94-F98 HydrophobicContact CE2-CZ 4.04Å; F94-F98 HydrophobicContact CG-CE2 4.39Å; F94-F98 AromaticContact CZ-CE2 3.72Å; F94-F98 HydrophobicContact CZ-CE2 3.72Å; F94-F98 AromaticContact CZ-CZ 3.72Å; F94-F98 HydrophobicContact CZ-CZ 3.72Å; F94-F98 WeakPolarHBondContact O-CD2 3.26Å; F94-F98 WeakPolarHBondContact O-CE2 3.49Å
95F95.9Very high93.4Very high0 Ų036 Ų360%021%0.211CC..Hα-helixtrans-62.9-37.2179-83.9-95.1000112.6L10 I85 F90 D91 S92 K97 F98 V101 V114 M117 A121L10-F95 HydrophobicContact CD2-CD1 4.07Å; L10-F95 HydrophobicContact CD2-CE1 3.71Å; L10-F95 HydrophobicContact CD2-CZ 4.16Å; I85-F95 HydrophobicContact CD1-CE2 4.43Å; I85-F95 HydrophobicContact CD1-CZ 4.01Å; I85-F95 HydrophobicContact CG1-CZ 4.37Å; F90-F95 HydrophobicContact CB-CE2 4.33Å; F90-F95 WeakPolarHBondContact O-CE2 3.46Å; D91-F95 WeakPolarHBondContact O-CD2 3.47Å; D91-F95 PolarHBondContact O-N 2.68Å; D91-F95 VanDerWaalsContact O-N 3.08Å; S92-F95 PolarHBondContact O-N 3.39Å; F95-K97 PolarHBondContact O-N 2.75Å; F95-F98 WeakPolarHBondContact O-CD2 3.44Å; F95-F98 PolarHBondContact O-N 2.88Å; F95-V101 HydrophobicContact CD1-CG2 4.08Å; F95-V101 HydrophobicContact CE1-CG1 4.38Å; F95-V101 HydrophobicContact CE1-CG2 4.4Å; F95-V114 HydrophobicContact CE1-CG1 4.04Å; F95-V114 HydrophobicContact CZ-CG1 4.48Å; F95-V114 HydrophobicContact CZ-CG2 4.41Å; F95-M117 HydrophobicContact CD1-CB 3.99Å; F95-M117 HydrophobicContact CD2-CB 3.63Å; F95-M117 HydrophobicContact CD2-CE 4.11Å; F95-M117 HydrophobicContact CD2-CG 4.09Å; F95-M117 HydrophobicContact CE1-CB 3.95Å; F95-M117 HydrophobicContact CE2-CB 3.57Å; F95-M117 HydrophobicContact CE2-CE 4.41Å; F95-M117 HydrophobicContact CE2-CG 3.72Å; F95-M117 HydrophobicContact CG-CB 3.84Å; F95-M117 HydrophobicContact CZ-CB 3.74Å; F95-M117 HydrophobicContact CZ-CG 4.1Å; F95-A121 HydrophobicContact CB-CB 3.72Å
96G94.2Very high92.9Very high44 Ų4442.3 Ų42.345%0.45425%0.245SC..THydrogen-bonded Turntrans-61.8-11178.900000115.5S92 E93 F94 F98S92-G96 PolarHBondContact O-N 3.27Å; E93-G96 PolarHBondContact O-N 3.07Å; F94-G96 VanDerWaalsContact C-N 3.32Å; F94-G96 PolarHBondContact O-N 2.96Å; G96-F98 VanDerWaalsContact C-N 3.31Å
97K95.4Very high92.5Very high122 Ų12242.7 Ų42.753%0.5325%0.249SC..THydrogen-bonded Turntrans-78-14.3177.3-65.6164.6-171.71660113.5E93 F94 F95E93-K97 IonicContact OE1-NZ 3.95Å; F94-K97 WeakPolarHBondContact O-CB 3.48Å; F94-K97 PolarHBondContact O-N 2.87Å; F95-K97 PolarHBondContact O-N 2.75Å
98F96.2Very high92.2Very high9 Ų942.3 Ų42.34%0.03924%0.244CC..  trans-105.8149.7-171.7-54.4-73.3000112.1S8 V9 L10 T34 F94 F95 G96 I123S8-F98 CarbonylContact O-C 3.48Å; S8-F98 VanDerWaalsContact O-CA 3.27Å; S8-F98 WeakPolarHBondContact O-CA 2.93Å; S8-F98 WeakPolarHBondContact OG-CD1 3.38Å; S8-F98 WeakPolarHBondContact OG-CE1 3.17Å; V9-F98 VanDerWaalsContact C-CD1 3.45Å; L10-F98 HydrophobicContact CB-CB 4.35Å; L10-F98 HydrophobicContact CB-CD1 3.83Å; L10-F98 HydrophobicContact CB-CD2 3.71Å; L10-F98 HydrophobicContact CB-CE1 4Å; L10-F98 HydrophobicContact CB-CE2 3.89Å; L10-F98 HydrophobicContact CB-CG 3.68Å; L10-F98 HydrophobicContact CB-CZ 4.03Å; L10-F98 HydrophobicContact CD1-CE2 4.24Å; L10-F98 HydrophobicContact CD1-CZ 4.09Å; L10-F98 HydrophobicContact CD2-CD2 4.08Å; L10-F98 HydrophobicContact CD2-CE2 3.95Å; L10-F98 HydrophobicContact CG-CD2 4.42Å; L10-F98 HydrophobicContact CG-CE2 4.25Å; L10-F98 HydrophobicContact CG-CZ 4.47Å; T34-F98 HydrophobicContact CG2-CE1 4.47Å; T34-F98 HydrophobicContact CG2-CZ 4.14Å; T34-F98 WeakPolarHBondContact OG1-CE1 3.41Å; F94-F98 AromaticContact CD1-CE2 3.97Å; F94-F98 HydrophobicContact CD1-CE2 3.97Å; F94-F98 HydrophobicContact CD2-CE2 4.47Å; F94-F98 AromaticContact CE1-CE2 3.62Å; F94-F98 HydrophobicContact CE1-CE2 3.62Å; F94-F98 HydrophobicContact CE1-CZ 4.11Å; F94-F98 HydrophobicContact CE2-CE2 4.16Å; F94-F98 HydrophobicContact CE2-CZ 4.04Å; F94-F98 HydrophobicContact CG-CE2 4.39Å; F94-F98 AromaticContact CZ-CE2 3.72Å; F94-F98 HydrophobicContact CZ-CE2 3.72Å; F94-F98 AromaticContact CZ-CZ 3.72Å; F94-F98 HydrophobicContact CZ-CZ 3.72Å; F94-F98 WeakPolarHBondContact O-CD2 3.26Å; F94-F98 WeakPolarHBondContact O-CE2 3.49Å; F95-F98 WeakPolarHBondContact O-CD2 3.44Å; F95-F98 PolarHBondContact O-N 2.88Å; G96-F98 VanDerWaalsContact C-N 3.31Å; F98-I123 VanDerWaalsContact O-CD1 3.25Å; F98-I123 WeakPolarHBondContact O-CD1 3.45Å
99C95Very high92Very high35 Ų3540.4 Ų40.424%0.23623%0.234CC..SBendtrans-89.8-26.3175.161.80000113.3S8 L474S8-C99 PolarHBondContact O-N 2.9Å; S8-C99 PolarHBondContact O-SG 3.03Å; C99-L474 HydrophobicContact CB-CD2 3.94Å
100V96.5Very high92Very high0 Ų037.9 Ų37.90%022%0.217CC..EExtended strand (participates in β ladder)trans-149.3138.8175.5179.10000108.3V9 L10 F102 P124 I126 A470 I473 L474V9-V100 WeakPolarHBondContact CA-O 3.17Å; V9-V100 HydrophobicContact CG1-CB 4.38Å; L10-V100 PolarHBondContact N-O 2.91Å; V100-F102 HydrophobicContact CB-CE2 4.21Å; V100-F102 HydrophobicContact CG1-CD2 4.21Å; V100-F102 HydrophobicContact CG1-CE2 3.77Å; V100-F102 HydrophobicContact CG1-CZ 3.95Å; V100-P124 WeakPolarHBondContact CA-O 3.36Å; V100-I126 HydrophobicContact CG1-CD1 3.79Å; V100-I126 HydrophobicContact CG1-CG1 4Å; V100-A470 HydrophobicContact CG1-CB 4.38Å; V100-I473 HydrophobicContact CG2-CG2 4.23Å; V100-L474 HydrophobicContact CG2-CD1 4.35Å; V100-L474 HydrophobicContact CG2-CD2 3.93Å; V100-L474 HydrophobicContact CG2-CG 4.01Å
101V98.4Very high92Very high0 Ų039.1 Ų39.10%022%0.221CC..EExtended strand (participates in β ladder)trans-106.3139.7169.9-177.20000109.5L10 V12 F95 V114 I123 P124 L125 I126L10-V101 HydrophobicContact CB-CG1 4.29Å; L10-V101 HydrophobicContact CB-CG2 4.17Å; L10-V101 HydrophobicContact CD2-CG1 4.05Å; L10-V101 HydrophobicContact CD2-CG2 4.25Å; L10-V101 HydrophobicContact CG-CG1 4.24Å; L10-V101 CarbonylContact O-C 3.55Å; L10-V101 WeakPolarHBondContact O-CA 3.27Å; V12-V101 HydrophobicContact CG2-CG1 4Å; F95-V101 HydrophobicContact CD1-CG2 4.08Å; F95-V101 HydrophobicContact CE1-CG1 4.38Å; F95-V101 HydrophobicContact CE1-CG2 4.4Å; V101-V114 HydrophobicContact CG1-CG1 4.01Å; V101-I123 HydrophobicContact CG2-CG2 3.88Å; V101-P124 PolarHBondContact N-O 3.02Å; V101-L125 HydrophobicContact CB-CD1 4Å; V101-L125 HydrophobicContact CG1-CD1 3.84Å; V101-L125 CarbonylContact O-C 3.55Å; V101-L125 WeakPolarHBondContact O-CA 3.26Å; V101-I126 PolarHBondContact O-N 3.05Å
102F98.8Very high92Very high0 Ų038.1 Ų38.10%021%0.213CC..EExtended strand (participates in β ladder)trans-115.4120.2175.7-63.6-96.2000109.7V9 L10 L11 V12 V21 L25 V100 I126 M466 A470V9-F102 HydrophobicContact CB-CD2 4.42Å; V9-F102 HydrophobicContact CB-CE2 4.01Å; V9-F102 HydrophobicContact CG1-CE2 4.09Å; V9-F102 HydrophobicContact CG2-CE2 4.46Å; L10-F102 PolarHBondContact O-N 2.9Å; L11-F102 HydrophobicContact CD1-CB 3.89Å; V12-F102 PolarHBondContact N-O 2.73Å; V21-F102 HydrophobicContact CG1-CB 4.43Å; V21-F102 HydrophobicContact CG1-CD1 4.15Å; V21-F102 HydrophobicContact CG1-CG 4.24Å; L25-F102 HydrophobicContact CD1-CE2 4.41Å; L25-F102 HydrophobicContact CD2-CE2 3.87Å; L25-F102 HydrophobicContact CD2-CZ 3.73Å; V100-F102 HydrophobicContact CB-CE2 4.21Å; V100-F102 HydrophobicContact CG1-CD2 4.21Å; V100-F102 HydrophobicContact CG1-CE2 3.77Å; V100-F102 HydrophobicContact CG1-CZ 3.95Å; F102-I126 HydrophobicContact CD1-CB 4.14Å; F102-I126 HydrophobicContact CD1-CD1 4.14Å; F102-I126 HydrophobicContact CD1-CG2 4.44Å; F102-I126 HydrophobicContact CE1-CD1 3.69Å; F102-I126 HydrophobicContact CZ-CD1 4.24Å; F102-M466 HydrophobicContact CB-CE 4.08Å; F102-M466 HydrophobicContact CD1-CB 4.17Å; F102-M466 HydrophobicContact CD1-CE 4.06Å; F102-M466 HydrophobicContact CE1-CB 4.31Å; F102-A470 HydrophobicContact CE1-CB 3.78Å; F102-A470 HydrophobicContact CZ-CB 3.44Å; F102-A470 VanDerWaalsContact CZ-CB 3.44Å
103N98.3Very high92.2Very high0 Ų036.4 Ų36.40%020%0.201CC..EExtended strand (participates in β ladder)trans-89.6118.8170.5-93.8-4.8000110.4V114 L125 I126 E127 S128 M466N103-V114 VanDerWaalsContact OD1-CG1 3.23Å; N103-V114 WeakPolarHBondContact OD1-CG1 3.25Å; N103-L125 HydrophobicContact CB-CD1 4.08Å; N103-I126 PolarHBondContact N-O 3.11Å; N103-E127 VanDerWaalsContact CB-OE2 3.25Å; N103-E127 WeakPolarHBondContact CB-OE2 3.42Å; N103-E127 PolarHBondContact ND2-OE2 3.42Å; N103-S128 PolarHBondContact O-OG 3.44Å; N103-M466 VanDerWaalsContact O-CE 3.26Å; N103-M466 WeakPolarHBondContact O-CE 3.35Å
104A97.1Very high92.4Very high14 Ų1429.8 Ų29.812%0.11617%0.17CC..  trans-121.941.5170.800000109.9L11 V12 I17L11-A104 HydrophobicContact CD1-CB 4.04Å; V12-A104 CarbonylContact O-C 3.46Å; V12-A104 WeakPolarHBondContact O-CA 3.32Å; V12-A104 PolarHBondContact O-N 3.39Å; I17-A104 HydrophobicContact CB-CB 4.01Å; I17-A104 HydrophobicContact CG2-CB 3.92Å
105L91.2Very high92.3Very high21 Ų2129.3 Ų29.311%0.1117%0.168CC..  trans-96.1156.4-173.5-67.5173.6000112.2V12 A110 R111 V114V12-L105 HydrophobicContact CB-CG 4.49Å; V12-L105 HydrophobicContact CG1-CD1 4.12Å; V12-L105 HydrophobicContact CG1-CD2 3.88Å; V12-L105 HydrophobicContact CG1-CG 4.18Å; L105-A110 HydrophobicContact CD1-CB 3.73Å; L105-A110 HydrophobicContact CD2-CB 4.35Å; L105-R111 HydrophobicContact CB-CG 3.91Å; L105-R111 HydrophobicContact CD1-CG 4.14Å; L105-R111 PolarHBondContact O-NE 2.99Å; L105-R111 PolarHBondContact O-NH2 3.27Å; L105-V114 HydrophobicContact CD1-CG2 4.11Å
106D81.9Confident92.2Very high141 Ų14129.9 Ų29.975%0.75417%0.17SC*.  trans-118.71179.960.9-8.9000113.9
107N79Confident92.2Very high53 Ų5327.9 Ų27.928%0.28315%0.149SC..  trans-121.9136.8-179.173.191.6000112.1A109 A110 R111N107-A109 PolarHBondContact O-N 3.49Å; N107-A110 WeakPolarHBondContact OD1-CA 3.06Å; N107-A110 WeakPolarHBondContact OD1-CB 3.38Å; N107-A110 PolarHBondContact OD1-N 3.38Å; N107-R111 WeakPolarHBondContact O-CG 3.42Å; N107-R111 PolarHBondContact O-N 3.25Å
108L83.4Confident92.2Very high26 Ų2622.2 Ų22.214%0.13613%0.125CC..Hα-helixtrans-65-39.8-173.4-175.662.7000112.5R111 K112 Y167 R172L108-R111 PolarHBondContact O-N 2.88Å; L108-K112 HydrophobicContact CG-CD 4.49Å; L108-K112 WeakPolarHBondContact O-CG 3.28Å; L108-K112 PolarHBondContact O-N 3.48Å; L108-Y167 HydrophobicContact CD1-CE1 3.57Å; L108-Y167 WeakPolarHBondContact CD1-OH 3.12Å; L108-R172 HydrophobicContact CD1-CB 4.14Å
109A81.1Confident92.1Very high57 Ų5723.1 Ų23.147%0.47113%0.13SC..Hα-helixtrans-61.8-46.5-178.500000112F86 N107 R111 K112 H113F86-A109 HydrophobicContact CZ-CB 3.94Å; N107-A109 PolarHBondContact O-N 3.49Å; A109-R111 VanDerWaalsContact C-N 3.34Å; A109-R111 PolarHBondContact O-N 3.28Å; A109-K112 PolarHBondContact O-N 2.98Å; A109-H113 PolarHBondContact O-N 3.3Å
110A88.4Confident91.9Very high2 Ų222.8 Ų22.82%0.01713%0.128CC..Hα-helixtrans-67.4-36.5177.900000111.5I85 F86 L105 N107 H113 V114I85-A110 HydrophobicContact CG2-CB 3.93Å; F86-A110 HydrophobicContact CE2-CB 4.16Å; F86-A110 HydrophobicContact CZ-CB 3.89Å; L105-A110 HydrophobicContact CD1-CB 3.73Å; L105-A110 HydrophobicContact CD2-CB 4.35Å; N107-A110 WeakPolarHBondContact OD1-CA 3.06Å; N107-A110 WeakPolarHBondContact OD1-CB 3.38Å; N107-A110 PolarHBondContact OD1-N 3.38Å; A110-H113 PolarHBondContact O-N 3.28Å; A110-V114 WeakPolarHBondContact O-CG2 3.4Å; A110-V114 PolarHBondContact O-N 3Å
111R93.2Very high91.7Very high30 Ų3023.6 Ų23.611%0.11314%0.135CC..Hα-helixtrans-61-47174.2-70.5176.7178.7-153.3-12.8111.8L105 N107 L108 A109 H113 V114 N115 E127 S128 Y167L105-R111 HydrophobicContact CB-CG 3.91Å; L105-R111 HydrophobicContact CD1-CG 4.14Å; L105-R111 PolarHBondContact O-NE 2.99Å; L105-R111 PolarHBondContact O-NH2 3.27Å; N107-R111 WeakPolarHBondContact O-CG 3.42Å; N107-R111 PolarHBondContact O-N 3.25Å; L108-R111 PolarHBondContact O-N 2.88Å; A109-R111 VanDerWaalsContact C-N 3.34Å; A109-R111 PolarHBondContact O-N 3.28Å; R111-H113 PolarHBondContact O-N 3.41Å; R111-V114 PolarHBondContact O-N 3.19Å; R111-N115 VanDerWaalsContact O-CB 3.25Å; R111-N115 WeakPolarHBondContact O-CB 3.43Å; R111-N115 PolarHBondContact O-N 3.37Å; R111-E127 IonicContact CZ-OE1 3.15Å; R111-E127 IonicContact NE-OE1 3.83Å; R111-E127 PolarHBondContact NE-OE1 2.69Å; R111-E127 IonicContact NH1-OE1 3.92Å; R111-E127 IonicContact NH2-OE1 3.69Å; R111-S128 PolarHBondContact NH2-O 3.37Å; R111-Y167 HydrophobicContact CB-CD1 4.29Å; R111-Y167 HydrophobicContact CB-CE1 3.74Å; R111-Y167 HydrophobicContact CB-CE2 4.48Å; R111-Y167 VanDerWaalsContact CD-OH 3.29Å; R111-Y167 WeakPolarHBondContact CD-OH 3.49Å
112K91.5Very high91.4Very high55 Ų5530.4 Ų30.424%0.23916%0.164CC..Hα-helixtrans-59.3-45.7174.6-71.9-176.4177.1-176.80111.4L108 A109 N115 R116 Y167 E168L108-K112 HydrophobicContact CG-CD 4.49Å; L108-K112 WeakPolarHBondContact O-CG 3.28Å; L108-K112 PolarHBondContact O-N 3.48Å; A109-K112 PolarHBondContact O-N 2.98Å; K112-N115 WeakPolarHBondContact O-CB 3.5Å; K112-N115 PolarHBondContact O-N 3.18Å; K112-R116 WeakPolarHBondContact O-CG 3.46Å; K112-R116 PolarHBondContact O-N 3.47Å; K112-Y167 HydrophobicContact CG-CD1 4.23Å; K112-Y167 HydrophobicContact CG-CE1 4.19Å; K112-E168 HydrophobicContact CD-CG 4.48Å; K112-E168 HydrophobicContact CG-CG 3.96Å
113H91.8Very high91.2Very high4 Ų431.5 Ų31.52%0.01917%0.17CC..Hα-helixtrans-60.7-52177.5176.552.3000112.2I85 F86 A109 A110 R111 N115 R116 M117 Q598I85-H113 PolarHBondContact O-NE2 3.4Å; F86-H113 HydrophobicContact CD1-CB 4Å; F86-H113 AromaticContact CD1-CD2 3.53Å; F86-H113 AromaticContact CD1-CG 3.77Å; F86-H113 HydrophobicContact CE1-CB 3.55Å; F86-H113 AromaticContact CE1-CD2 3.97Å; F86-H113 AromaticContact CE1-CG 3.88Å; A109-H113 PolarHBondContact O-N 3.3Å; A110-H113 PolarHBondContact O-N 3.28Å; R111-H113 PolarHBondContact O-N 3.41Å; H113-N115 VanDerWaalsContact C-N 3.28Å; H113-N115 PolarHBondContact O-N 3.38Å; H113-R116 PolarHBondContact O-N 3.28Å; H113-R116 VanDerWaalsContact O-N 3.11Å; H113-M117 WeakPolarHBondContact O-CG 3.48Å; H113-M117 PolarHBondContact O-N 2.8Å; H113-Q598 PolarHBondContact ND1-NE2 3.02Å
114V96Very high91.1Very high0 Ų032.1 Ų32.10%017%0.174CC..Hα-helixtrans-60.6-38.9178.1174.40000111.5V12 I85 F95 V101 N103 L105 A110 R111 M117 C118 L125V12-V114 HydrophobicContact CG1-CG2 4.21Å; V12-V114 HydrophobicContact CG2-CG2 4.33Å; I85-V114 HydrophobicContact CG1-CG2 3.76Å; I85-V114 HydrophobicContact CG2-CG2 4.4Å; F95-V114 HydrophobicContact CE1-CG1 4.04Å; F95-V114 HydrophobicContact CZ-CG1 4.48Å; F95-V114 HydrophobicContact CZ-CG2 4.41Å; V101-V114 HydrophobicContact CG1-CG1 4.01Å; N103-V114 VanDerWaalsContact OD1-CG1 3.23Å; N103-V114 WeakPolarHBondContact OD1-CG1 3.25Å; L105-V114 HydrophobicContact CD1-CG2 4.11Å; A110-V114 WeakPolarHBondContact O-CG2 3.4Å; A110-V114 PolarHBondContact O-N 3Å; R111-V114 PolarHBondContact O-N 3.19Å; V114-M117 PolarHBondContact O-N 3.05Å; V114-C118 WeakPolarHBondContact O-CB 3.35Å; V114-C118 PolarHBondContact O-N 3.38Å; V114-C118 PolarHBondContact O-SG 2.89Å; V114-L125 HydrophobicContact CG1-CD1 3.99Å; V114-L125 HydrophobicContact CG1-CD2 4.24Å
115N95.6Very high91.2Very high3 Ų331.5 Ų31.52%0.01617%0.169CC..Hα-helixtrans-56.1-50.9172.9170.870.8000111.5R111 K112 H113 M117 C118 I119 L125 C166 Y167 E168R111-N115 VanDerWaalsContact O-CB 3.25Å; R111-N115 WeakPolarHBondContact O-CB 3.43Å; R111-N115 PolarHBondContact O-N 3.37Å; K112-N115 WeakPolarHBondContact O-CB 3.5Å; K112-N115 PolarHBondContact O-N 3.18Å; H113-N115 VanDerWaalsContact C-N 3.28Å; H113-N115 PolarHBondContact O-N 3.38Å; N115-M117 PolarHBondContact O-N 3.49Å; N115-C118 PolarHBondContact O-N 2.7Å; N115-I119 VanDerWaalsContact O-CG1 3.28Å; N115-I119 WeakPolarHBondContact O-CG1 3.42Å; N115-I119 PolarHBondContact O-N 2.92Å; N115-L125 HydrophobicContact CB-CD2 4.3Å; N115-C166 WeakPolarHBondContact OD1-CB 3.41Å; N115-Y167 VanDerWaalsContact CG-CB 3.46Å; N115-Y167 WeakPolarHBondContact OD1-CB 3.4Å; N115-Y167 PolarHBondContact OD1-N 2.92Å; N115-E168 PolarHBondContact ND2-OE2 2.95Å
116R93.5Very high91.5Very high11 Ų1130.5 Ų30.54%0.04216%0.164CC..Hα-helixtrans-61.5-44.6178.5-68.9171.5-171.7-167.6-4.2111.8K112 H113 C118 I119 S120 E168 V514 L547 G548K112-R116 WeakPolarHBondContact O-CG 3.46Å; K112-R116 PolarHBondContact O-N 3.47Å; H113-R116 PolarHBondContact O-N 3.28Å; H113-R116 VanDerWaalsContact O-N 3.11Å; R116-C118 PolarHBondContact O-N 3.43Å; R116-I119 PolarHBondContact O-N 3.43Å; R116-S120 PolarHBondContact O-N 3.11Å; R116-E168 IonicContact CZ-OE1 2.71Å; R116-E168 IonicContact CZ-OE2 3.73Å; R116-E168 IonicContact NE-OE1 3.59Å; R116-E168 PolarHBondContact NE-OE1 2.71Å; R116-E168 IonicContact NE-OE2 3Å; R116-E168 PolarHBondContact NE-OE2 2.82Å; R116-E168 VanDerWaalsContact NE-OE2 3.1Å; R116-E168 IonicContact NH2-OE1 3.99Å; R116-E168 PolarHBondContact NH2-OE1 3.42Å; R116-E168 IonicContact NH2-OE2 2.77Å; R116-V514 HydrophobicContact CG-CG1 3.84Å; R116-L547 PolarHBondContact NH1-O 2.85Å; R116-L547 PolarHBondContact NH2-O 3.38Å; R116-G548 PolarHBondContact NH1-O 3.38Å
117M94.2Very high92.3Very high3 Ų324 Ų242%0.01513%0.128CC..Hα-helixtrans-61.9-41.9176.8-62.1-46.3-69.300112.5F95 H113 V114 N115 I119 S120 A121 R597F95-M117 HydrophobicContact CD1-CB 3.99Å; F95-M117 HydrophobicContact CD2-CB 3.63Å; F95-M117 HydrophobicContact CD2-CE 4.11Å; F95-M117 HydrophobicContact CD2-CG 4.09Å; F95-M117 HydrophobicContact CE1-CB 3.95Å; F95-M117 HydrophobicContact CE2-CB 3.57Å; F95-M117 HydrophobicContact CE2-CE 4.41Å; F95-M117 HydrophobicContact CE2-CG 3.72Å; F95-M117 HydrophobicContact CG-CB 3.84Å; F95-M117 HydrophobicContact CZ-CB 3.74Å; F95-M117 HydrophobicContact CZ-CG 4.1Å; H113-M117 WeakPolarHBondContact O-CG 3.48Å; H113-M117 PolarHBondContact O-N 2.8Å; V114-M117 PolarHBondContact O-N 3.05Å; N115-M117 PolarHBondContact O-N 3.49Å; M117-I119 VanDerWaalsContact C-N 3.34Å; M117-I119 PolarHBondContact O-N 3.44Å; M117-S120 PolarHBondContact O-N 3.39Å; M117-A121 VanDerWaalsContact O-CB 3.29Å; M117-A121 WeakPolarHBondContact O-CB 3.25Å; M117-A121 PolarHBondContact O-N 3.42Å; M117-R597 VanDerWaalsContact SD-O 3.34Å
118C95.8Very high93.1Very high2 Ų221.5 Ų21.51%0.01412%0.115CC..Hα-helixtrans-66.7-35.7176.9-68.70000112.1V114 N115 R116 K122 I123 L125V114-C118 WeakPolarHBondContact O-CB 3.35Å; V114-C118 PolarHBondContact O-N 3.38Å; V114-C118 PolarHBondContact O-SG 2.89Å; N115-C118 PolarHBondContact O-N 2.7Å; R116-C118 PolarHBondContact O-N 3.43Å; C118-K122 CarbonylContact O-C 3.53Å; C118-K122 WeakPolarHBondContact O-CA 3.48Å; C118-K122 PolarHBondContact O-N 3.33Å; C118-I123 WeakPolarHBondContact CB-O 3.5Å; C118-I123 PolarHBondContact O-N 3.41Å; C118-L125 HydrophobicContact CB-CB 4.04Å
119I92.9Very high93.5Very high28 Ų2820.4 Ų20.414%0.14411%0.111CC..Hα-helixtrans-65.8-50.1173.8-67.5163.8000110.6N115 R116 M117 A121 K122 P142 C166 V514 C515N115-I119 VanDerWaalsContact O-CG1 3.28Å; N115-I119 WeakPolarHBondContact O-CG1 3.42Å; N115-I119 PolarHBondContact O-N 2.92Å; R116-I119 PolarHBondContact O-N 3.43Å; M117-I119 VanDerWaalsContact C-N 3.34Å; M117-I119 PolarHBondContact O-N 3.44Å; I119-A121 PolarHBondContact O-N 3.48Å; I119-K122 PolarHBondContact O-N 3.49Å; I119-K122 VanDerWaalsContact O-N 3.09Å; I119-P142 HydrophobicContact CG1-CB 4.34Å; I119-C166 HydrophobicContact CD1-CB 3.67Å; I119-V514 HydrophobicContact CD1-CG1 3.68Å; I119-C515 HydrophobicContact CD1-CB 4.13Å
120S91Very high93.9Very high28 Ų2819.3 Ų19.320%0.19610%0.098CC..Hα-helixtrans-57.5-48.9178.7176.90000111.2S92 R116 M117 K122 D599S92-S120 PolarHBondContact OG-OG 3.21Å; R116-S120 PolarHBondContact O-N 3.11Å; M117-S120 PolarHBondContact O-N 3.39Å; S120-K122 PolarHBondContact O-N 3.37Å; S120-D599 WeakPolarHBondContact CB-OD2 3.4Å; S120-D599 WeakPolarHBondContact OG-CB 3.28Å; S120-D599 PolarHBondContact OG-OD2 3.14Å
121A92.7Very high93.7Very high18 Ų1819.8 Ų19.815%0.14910%0.102CC..THydrogen-bonded Turntrans-76.8-5.1178.700000114S92 F95 M117 I119 I123S92-A121 PolarHBondContact OG-N 3.19Å; F95-A121 HydrophobicContact CB-CB 3.72Å; M117-A121 VanDerWaalsContact O-CB 3.29Å; M117-A121 WeakPolarHBondContact O-CB 3.25Å; M117-A121 PolarHBondContact O-N 3.42Å; I119-A121 PolarHBondContact O-N 3.48Å; A121-I123 VanDerWaalsContact C-N 3.28Å; A121-I123 HydrophobicContact CB-CG1 3.91Å; A121-I123 PolarHBondContact O-N 2.94Å
122K92.6Very high93.3Very high143 Ų14318.9 Ų18.962%0.62210%0.102SC*.THydrogen-bonded Turntrans54.238.7-175.1-57.4178.4-178.4176.70113.7C118 I119 S120C118-K122 CarbonylContact O-C 3.53Å; C118-K122 WeakPolarHBondContact O-CA 3.48Å; C118-K122 PolarHBondContact O-N 3.33Å; I119-K122 PolarHBondContact O-N 3.49Å; I119-K122 VanDerWaalsContact O-N 3.09Å; S120-K122 PolarHBondContact O-N 3.37Å
123I94.6Very high93.2Very high22 Ų2222.3 Ų22.311%0.11311%0.114CC..  trans-102.6134.8179.6-57.4-50.4000110.6F98 V101 C118 A121 L125 P142F98-I123 VanDerWaalsContact O-CD1 3.25Å; F98-I123 WeakPolarHBondContact O-CD1 3.45Å; V101-I123 HydrophobicContact CG2-CG2 3.88Å; C118-I123 WeakPolarHBondContact CB-O 3.5Å; C118-I123 PolarHBondContact O-N 3.41Å; A121-I123 VanDerWaalsContact C-N 3.28Å; A121-I123 HydrophobicContact CB-CG1 3.91Å; A121-I123 PolarHBondContact O-N 2.94Å; I123-L125 PolarHBondContact O-N 2.91Å; I123-P142 WeakPolarHBondContact O-CD 3.47Å; I123-P142 WeakPolarHBondContact O-CG 3.25Å
124P96.2Very high93.1Very high13 Ų1323.2 Ų23.28%0.08412%0.119CC..  trans-59.8131.9171.8-2434.2000112.5V100 V101 I141 I473V100-P124 WeakPolarHBondContact CA-O 3.36Å; V101-P124 PolarHBondContact N-O 3.02Å; P124-I141 HydrophobicContact CB-CG1 4.33Å; P124-I473 HydrophobicContact CB-CD1 4.09Å; P124-I473 HydrophobicContact CB-CG2 3.92Å; P124-I473 HydrophobicContact CG-CG2 3.8Å
125L98Very high93Very high2 Ų223.3 Ų23.31%0.0112%0.12CC..EExtended strand (participates in β ladder)trans-110.7135.6175.4171.361.3000109.5V101 N103 V114 N115 C118 I123 L140V101-L125 HydrophobicContact CB-CD1 4Å; V101-L125 HydrophobicContact CG1-CD1 3.84Å; V101-L125 CarbonylContact O-C 3.55Å; V101-L125 WeakPolarHBondContact O-CA 3.26Å; N103-L125 HydrophobicContact CB-CD1 4.08Å; V114-L125 HydrophobicContact CG1-CD1 3.99Å; V114-L125 HydrophobicContact CG1-CD2 4.24Å; N115-L125 HydrophobicContact CB-CD2 4.3Å; C118-L125 HydrophobicContact CB-CB 4.04Å; I123-L125 PolarHBondContact O-N 2.91Å; L125-L140 HydrophobicContact CB-CB 4.21Å; L125-L140 HydrophobicContact CD2-CD1 3.92Å; L125-L140 HydrophobicContact CG-CD1 4.31Å; L125-L140 PolarHBondContact N-O 3.39Å; L125-L140 PolarHBondContact O-N 3.19Å
126I98.3Very high93Very high0 Ų025.2 Ų25.20%013%0.129CC..EExtended strand (participates in β ladder)trans-107103.5168.8-60.4179.1000107.5V100 V101 F102 N103 V137 M466 Q469 A470 I473V100-I126 HydrophobicContact CG1-CD1 3.79Å; V100-I126 HydrophobicContact CG1-CG1 4Å; V101-I126 PolarHBondContact O-N 3.05Å; F102-I126 HydrophobicContact CD1-CB 4.14Å; F102-I126 HydrophobicContact CD1-CD1 4.14Å; F102-I126 HydrophobicContact CD1-CG2 4.44Å; F102-I126 HydrophobicContact CE1-CD1 3.69Å; F102-I126 HydrophobicContact CZ-CD1 4.24Å; N103-I126 PolarHBondContact N-O 3.11Å; I126-V137 HydrophobicContact CG2-CG1 3.77Å; I126-M466 WeakPolarHBondContact CD1-O 3.28Å; I126-M466 HydrophobicContact CG2-CB 3.91Å; I126-M466 HydrophobicContact CG2-CE 4.3Å; I126-M466 HydrophobicContact CG2-CG 3.86Å; I126-Q469 HydrophobicContact CD1-CB 4.24Å; I126-A470 VanDerWaalsContact CD1-CA 3.5Å; I126-A470 HydrophobicContact CD1-CB 3.5Å; I126-A470 VanDerWaalsContact CD1-CB 3.5Å; I126-A470 VanDerWaalsContact CD1-N 3.32Å; I126-I473 HydrophobicContact CD1-CD1 4.17Å; I126-I473 HydrophobicContact CG1-CD1 4.13Å
127E98.2Very high93.2Very high3 Ų324.7 Ų24.71%0.01413%0.127CC..EExtended strand (participates in β ladder)trans-82.9149.5176-17655.1-124.600110.5N103 R111 V137 E138 L140 Y167N103-E127 VanDerWaalsContact CB-OE2 3.25Å; N103-E127 WeakPolarHBondContact CB-OE2 3.42Å; N103-E127 PolarHBondContact ND2-OE2 3.42Å; R111-E127 IonicContact CZ-OE1 3.15Å; R111-E127 IonicContact NE-OE1 3.83Å; R111-E127 PolarHBondContact NE-OE1 2.69Å; R111-E127 IonicContact NH1-OE1 3.92Å; R111-E127 IonicContact NH2-OE1 3.69Å; E127-V137 WeakPolarHBondContact O-CA 3.44Å; E127-E138 HydrophobicContact CB-CB 4.34Å; E127-E138 PolarHBondContact N-O 3.06Å; E127-E138 PolarHBondContact O-N 3.44Å; E127-L140 HydrophobicContact CB-CD1 3.82Å; E127-L140 HydrophobicContact CB-CG 4.21Å; E127-Y167 HydrophobicContact CG-CD2 3.8Å; E127-Y167 HydrophobicContact CG-CE2 3.91Å
128S96.8Very high93.4Very high1 Ų125 Ų251%0.00713%0.129CC..EExtended strand (participates in β ladder)trans-153.8160.1179.572.50000113.4N103 R111 Q136 M466N103-S128 PolarHBondContact O-OG 3.44Å; R111-S128 PolarHBondContact NH2-O 3.37Å; S128-Q136 VanDerWaalsContact CA-O 3.26Å; S128-Q136 WeakPolarHBondContact CA-O 3.43Å; S128-Q136 WeakPolarHBondContact CB-O 3.34Å; S128-M466 VanDerWaalsContact CB-SD 3.58Å; S128-M466 WeakPolarHBondContact OG-CE 3.27Å; S128-M466 PolarHBondContact OG-SD 2.8Å; S128-M466 VanDerWaalsContact OG-SD 3.39Å
129G91.6Very high93.5Very high4 Ų425 Ų254%0.04113%0.128CC..EExtended strand (participates in β ladder)trans-154.7156.6175.500000112G135 Q136G129-G135 CarbonylContact O-C 3.56Å; G129-G135 WeakPolarHBondContact O-CA 3.36Å; G129-Q136 PolarHBondContact N-O 3.07Å; G129-Q136 VanDerWaalsContact N-O 3.07Å; G129-Q136 PolarHBondContact O-N 3.16Å; G129-Q136 PolarHBondContact O-OE1 3.1Å
130T89.5Confident93.6Very high33 Ų3324.3 Ų24.320%0.20213%0.125CC..EExtended strand (participates in β ladder)trans-142.8143.1173.7540000110.2I17 L134 T458 N459 V462I17-T130 HydrophobicContact CD1-CG2 3.87Å; I17-T130 HydrophobicContact CG1-CG2 4.18Å; T130-L134 WeakPolarHBondContact CA-O 3.36Å; T130-T458 HydrophobicContact CG2-CG2 3.93Å; T130-N459 PolarHBondContact OG1-OD1 3.29Å; T130-V462 HydrophobicContact CG2-CB 4.05Å; T130-V462 HydrophobicContact CG2-CG1 4.38Å; T130-V462 HydrophobicContact CG2-CG2 3.59Å
131A83.8Confident93.9Very high12 Ų1223.1 Ų23.110%0.09912%0.116CC..EExtended strand (participates in β ladder)trans-148.9105.9170.700000109.4Y133 L134 I452 M703A131-Y133 PolarHBondContact O-N 2.98Å; A131-L134 PolarHBondContact N-O 3.44Å; A131-L134 WeakPolarHBondContact O-CB 3.27Å; A131-L134 PolarHBondContact O-N 3.07Å; A131-I452 HydrophobicContact CB-CG2 3.59Å; A131-M703 HydrophobicContact CB-CE 4.48Å; A131-M703 HydrophobicContact CB-CG 4.42Å; A131-M703 HydrophobicContact CB-SD 3.28Å; A131-M703 WeakPolarHBondContact CB-SD 3.4Å
132G84.4Confident93.8Very high11 Ų1122.8 Ų22.811%0.11311%0.112CC..BIsolated β-bridgetrans58.4-109-174.700000111.8P453 T458G132-P453 WeakPolarHBondContact CA-O 3.42Å; G132-P453 PolarHBondContact N-O 3.44Å; G132-T458 WeakPolarHBondContact O-CB 3.46Å; G132-T458 PolarHBondContact O-OG1 2.71Å
133Y89.6Confident93.3Very high127 Ų12718.7 Ų18.750%0.49810%0.099SC..THydrogen-bonded Turntrans-97.3-1.7178.6-59.5-70.6000113.7A131 V455 R488A131-Y133 PolarHBondContact O-N 2.98Å; Y133-V455 HydrophobicContact CE1-CG2 4.42Å; Y133-R488 HydrophobicContact CD2-CG 4.18Å; Y133-R488 HydrophobicContact CG-CG 4.26Å
134L90.5Very high92.1Very high23 Ų2319.4 Ų19.412%0.1211%0.105CC..EExtended strand (participates in β ladder)trans-97150.9178.4-53176000109.5T130 A131 T458 I486 R488 I698T130-L134 WeakPolarHBondContact CA-O 3.36Å; A131-L134 PolarHBondContact N-O 3.44Å; A131-L134 WeakPolarHBondContact O-CB 3.27Å; A131-L134 PolarHBondContact O-N 3.07Å; L134-T458 WeakPolarHBondContact O-CG2 3.33Å; L134-I486 WeakPolarHBondContact CA-O 3.47Å; L134-R488 HydrophobicContact CD2-CB 4.27Å; L134-I698 HydrophobicContact CB-CD1 4.47Å; L134-I698 HydrophobicContact CD1-CD1 4.21Å; L134-I698 HydrophobicContact CD1-CG2 4.08Å; L134-I698 HydrophobicContact CD2-CD1 4.21Å
135G93Very high90.5Very high2 Ų226.1 Ų26.12%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-169.8165.9171.500000112.5G129 I486G129-G135 CarbonylContact O-C 3.56Å; G129-G135 WeakPolarHBondContact O-CA 3.36Å; G135-I486 PolarHBondContact N-O 3.13Å; G135-I486 PolarHBondContact O-N 3.05Å
136Q95.8Very high88.5Confident44 Ų4428.4 Ų28.421%0.20615%0.146CC..EExtended strand (participates in β ladder)trans-147.1154.1-178.373.1-80.812.500112.4S128 G129 V484 Y485S128-Q136 VanDerWaalsContact CA-O 3.26Å; S128-Q136 WeakPolarHBondContact CA-O 3.43Å; S128-Q136 WeakPolarHBondContact CB-O 3.34Å; G129-Q136 PolarHBondContact N-O 3.07Å; G129-Q136 VanDerWaalsContact N-O 3.07Å; G129-Q136 PolarHBondContact O-N 3.16Å; G129-Q136 PolarHBondContact O-OE1 3.1Å; Q136-V484 CarbonylContact C-O 3.54Å; Q136-V484 WeakPolarHBondContact CA-O 3.38Å; Q136-Y485 HydrophobicContact CB-CD1 3.72Å; Q136-Y485 HydrophobicContact CB-CE1 3.92Å
137V98.4Very high86Confident0 Ų031.1 Ų31.10%017%0.174CC..EExtended strand (participates in β ladder)trans-132.5125170.2176.20000108.6I126 E127 V462 L465 M466 Q469 S483 V484I126-V137 HydrophobicContact CG2-CG1 3.77Å; E127-V137 WeakPolarHBondContact O-CA 3.44Å; V137-V462 HydrophobicContact CG2-CG1 3.8Å; V137-L465 HydrophobicContact CB-CB 4.37Å; V137-L465 HydrophobicContact CG2-CB 3.73Å; V137-M466 HydrophobicContact CB-CG 4.5Å; V137-M466 HydrophobicContact CG1-CG 3.98Å; V137-M466 HydrophobicContact CG2-CG 3.69Å; V137-Q469 HydrophobicContact CG1-CG 4.01Å; V137-S483 CarbonylContact O-C 3.54Å; V137-S483 WeakPolarHBondContact O-CA 3.35Å; V137-V484 PolarHBondContact N-O 3.49Å; V137-V484 PolarHBondContact O-N 2.98Å
138E97.3Very high83.3Confident10 Ų1038.4 Ų38.45%0.04721%0.208CC..EExtended strand (participates in β ladder)trans-128.4108.5-176.3-69.1179.216900110E127 L140 R172 Y485E127-E138 HydrophobicContact CB-CB 4.34Å; E127-E138 PolarHBondContact N-O 3.06Å; E127-E138 PolarHBondContact O-N 3.44Å; E138-L140 HydrophobicContact CB-CD2 4.35Å; E138-L140 PolarHBondContact O-N 3.15Å; E138-R172 IonicContact OE1-NH1 3.81Å; E138-R172 IonicContact OE1-NH2 3.92Å; E138-R172 IonicContact OE2-CZ 3.78Å; E138-R172 IonicContact OE2-NH1 3.89Å; E138-R172 IonicContact OE2-NH2 3.05Å; E138-R172 PolarHBondContact OE2-NH2 3.4Å; E138-Y485 PolarHBondContact OE1-OH 3.47Å
139P97.4Very high80.8Confident1 Ų143 Ų431%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-74.5115172.5-19.835.6000111.4T164 Q469 I473 I481 R482P139-T164 PolarHBondContact O-OG1 3.38Å; P139-T164 VanDerWaalsContact O-OG1 3.04Å; P139-Q469 HydrophobicContact CG-CB 3.75Å; P139-Q469 HydrophobicContact CG-CG 3.69Å; P139-I473 HydrophobicContact CB-CD1 4.44Å; P139-I481 HydrophobicContact CB-CG2 3.59Å; P139-I481 HydrophobicContact CG-CG2 3.73Å; P139-R482 WeakPolarHBondContact CD-O 3.31Å
140L96.8Very high78.2Confident14 Ų1452 Ų527%0.07328%0.281CS..EExtended strand (participates in β ladder)trans-104.5110.6179.5-50.2179.9000109.2L125 E127 E138 T164 G165L125-L140 HydrophobicContact CB-CB 4.21Å; L125-L140 HydrophobicContact CD2-CD1 3.92Å; L125-L140 HydrophobicContact CG-CD1 4.31Å; L125-L140 PolarHBondContact N-O 3.39Å; L125-L140 PolarHBondContact O-N 3.19Å; E127-L140 HydrophobicContact CB-CD1 3.82Å; E127-L140 HydrophobicContact CB-CG 4.21Å; E138-L140 HydrophobicContact CB-CD2 4.35Å; E138-L140 PolarHBondContact O-N 3.15Å; L140-T164 WeakPolarHBondContact CA-OG1 3.39Å; L140-G165 VanDerWaalsContact CD2-O 3.31Å; L140-G165 WeakPolarHBondContact CD2-O 3.32Å
141I95.5Very high75.6Confident2 Ų254.2 Ų54.21%0.0130%0.303CS..  trans-119.4107.3-170.2-66165.1000108.7P124 V144 Y162 R163 T164 I473 I481P124-I141 HydrophobicContact CB-CG1 4.33Å; I141-V144 HydrophobicContact CG2-CG2 3.58Å; I141-Y162 HydrophobicContact CB-CD1 4.42Å; I141-Y162 HydrophobicContact CB-CE1 4.42Å; I141-Y162 HydrophobicContact CD1-CD1 4.07Å; I141-Y162 HydrophobicContact CD1-CE1 3.62Å; I141-Y162 HydrophobicContact CG2-CD1 4.1Å; I141-R163 WeakPolarHBondContact O-CA 3.31Å; I141-R163 WeakPolarHBondContact O-CG 3.19Å; I141-T164 HydrophobicContact CB-CG2 4.39Å; I141-T164 PolarHBondContact N-OG1 3.27Å; I141-T164 PolarHBondContact O-N 3.48Å; I141-I473 HydrophobicContact CD1-CD1 4.3Å; I141-I473 HydrophobicContact CD1-CG1 4.11Å; I141-I481 HydrophobicContact CD1-CD1 3.36Å; I141-I481 HydrophobicContact CD1-CG2 4.31Å
142P90.6Very high73.2Confident11 Ų1159.7 Ų59.77%0.07134%0.335CS..  trans-71.2-45.5-170.723.9-32.1000113.6I119 I123 R163I119-P142 HydrophobicContact CG1-CB 4.34Å; I123-P142 WeakPolarHBondContact O-CD 3.47Å; I123-P142 WeakPolarHBondContact O-CG 3.25Å; P142-R163 WeakPolarHBondContact O-CD 3.44Å; P142-R163 WeakPolarHBondContact O-CG 3.06Å; P142-R163 PolarHBondContact O-NE 3.38Å
143V82.7Confident71.1Confident58 Ų5866 Ų6635%0.35237%0.367SS..  trans-165.2130.8171.3172.10000107I161V143-I161 HydrophobicContact CG1-CG2 3.77Å
144V69.2Low68.6Low36 Ų3666.4 Ų66.422%0.21838%0.382CS..EExtended strand (participates in β ladder)trans-138.4129.1165.8-171.30000110.3I141 M146 Y162 F478I141-V144 HydrophobicContact CG2-CG2 3.58Å; V144-M146 PolarHBondContact O-N 3.22Å; V144-Y162 PolarHBondContact N-O 3.09Å; V144-Y162 VanDerWaalsContact N-O 3.14Å; V144-Y162 PolarHBondContact O-N 3.19Å; V144-F478 HydrophobicContact CB-CE1 4.23Å; V144-F478 HydrophobicContact CB-CZ 4.14Å; V144-F478 HydrophobicContact CG1-CE1 4.16Å; V144-F478 HydrophobicContact CG1-CE2 4.43Å; V144-F478 HydrophobicContact CG1-CZ 3.62Å; V144-F478 HydrophobicContact CG2-CE1 4.28Å
145E63.4Low66.2Low154 Ų15475 Ų7572%0.7242%0.421SS*.EExtended strand (participates in β ladder)trans-70.2121.5172.8-67.6-178.9178.500110.6
146M54.6Low63.5Low50 Ų5078.6 Ų78.625%0.24645%0.451CS..PPolyproline II helixtrans-80.2128.4167.3-60-81.9-8600108.7V144 T160 F478V144-M146 PolarHBondContact O-N 3.22Å; M146-T160 WeakPolarHBondContact CB-O 3.39Å; M146-T160 WeakPolarHBondContact CG-O 3.29Å; M146-T160 PolarHBondContact N-O 2.95Å; M146-F478 HydrophobicContact CE-CB 4.42Å; M146-F478 HydrophobicContact CE-CD2 3.97Å; M146-F478 HydrophobicContact SD-CB 4.22Å; M146-F478 HydrophobicContact SD-CD2 3.04Å; M146-F478 WeakPolarHBondContact SD-CD2 3.29Å; M146-F478 HydrophobicContact SD-CE2 3.47Å; M146-F478 WeakPolarHBondContact SD-CE2 3.49Å; M146-F478 HydrophobicContact SD-CG 3.85Å
147G47.2Very low60.7Low57 Ų5782.7 Ų82.759%0.58848%0.475SS*.PPolyproline II helixtrans-63.4151.8169.800000111.3S149G147-S149 PolarHBondContact O-N 2.88Å; G147-S149 PolarHBondContact O-OG 2.96Å
148E40.9Very low58Low157 Ų15791 Ų9173%0.73451%0.514SS*.  trans-49.1100.2178.8-68.2-179.7159.200111.2N157E148-N157 PolarHBondContact OE1-ND2 3.35Å
149S43.7Very low55.8Low97 Ų9793.3 Ų93.368%0.67853%0.534SS*.  trans-104.289.2-178.5-58.10000108.9G147 A151G147-S149 PolarHBondContact O-N 2.88Å; G147-S149 PolarHBondContact O-OG 2.96Å; S149-A151 VanDerWaalsContact C-N 3.3Å; S149-A151 PolarHBondContact O-N 3.45Å
150Q38.3Very low54.1Low193 Ų19398.2 Ų98.290%0.90256%0.564SS**  trans37.442.9158.4-63.2-172.9-3.200117.9T152Q150-T152 VanDerWaalsContact C-N 3.31Å; Q150-T152 PolarHBondContact O-N 3.4Å
151A34.8Very low53.1Low79 Ų79102.4 Ų102.465%0.65359%0.586SS**  trans-76.689.9161.200000108.2S149 N153S149-A151 VanDerWaalsContact C-N 3.3Å; S149-A151 PolarHBondContact O-N 3.45Å; A151-N153 PolarHBondContact O-N 3.14Å
152T34.1Very low52.5Low127 Ų127104.5 Ų104.578%0.77959%0.594SS**  trans-65.884156.351.10000107.2Q150Q150-T152 VanDerWaalsContact C-N 3.31Å; Q150-T152 PolarHBondContact O-N 3.4Å
153N40.1Very low52.5Low145 Ų145106.8 Ų106.878%0.77560%0.601SS**SBendtrans-175.4135.3147.9-86.8-23000109.9A151A151-N153 PolarHBondContact O-N 3.14Å
154T35.8Very low53.1Low135 Ų135104.2 Ų104.283%0.82859%0.585SS**THydrogen-bonded Turntrans-46140.1179.124.50000114.6
155E40.2Very low54.2Low202 Ų202103 Ų10394%0.94458%0.58SS**THydrogen-bonded Turntrans92.92.8166.5-57.8-172.4168.200120.7
156A37.1Very low55.8Low78 Ų7896.1 Ų96.165%0.64555%0.549SS*.  trans-13669.3175.100000114.6Q158A156-Q158 VanDerWaalsContact C-N 3.26Å; A156-Q158 PolarHBondContact O-N 3.43Å
157N36.3Very low57.7Low131 Ų13194.2 Ų94.270%0.70154%0.539SS*.  trans-87.963.4163.2-93.625.6000110.4E148E148-N157 PolarHBondContact OE1-ND2 3.35Å
158Q43Very low59.9Low175 Ų17593.2 Ų93.282%0.81852%0.519SS*.  trans-106.4120.7166.7-123.7161.620.700107.7A156 T160A156-Q158 VanDerWaalsContact C-N 3.26Å; A156-Q158 PolarHBondContact O-N 3.43Å; Q158-T160 PolarHBondContact O-N 2.86Å; Q158-T160 VanDerWaalsContact O-N 3.07Å
159A50.5Low62.3Low57 Ų5786.4 Ų86.447%0.47149%0.489SS..PPolyproline II helixtrans-50119.2174.500000108.9I161A159-I161 PolarHBondContact O-N 3.02Å
160T60.4Low64.2Low104 Ų10485.3 Ų85.364%0.63847%0.473SS*.PPolyproline II helixtrans-75.8123.7-178-20.20000107.7M146 Q158M146-T160 WeakPolarHBondContact CB-O 3.39Å; M146-T160 WeakPolarHBondContact CG-O 3.29Å; M146-T160 PolarHBondContact N-O 2.95Å; Q158-T160 PolarHBondContact O-N 2.86Å; Q158-T160 VanDerWaalsContact O-N 3.07Å
161I77.3Confident66.1Low103 Ų10382.1 Ų82.153%0.52847%0.469SS..EExtended strand (participates in β ladder)trans-87.8123178.6-65.4172.7000108.1V143 A159 R163V143-I161 HydrophobicContact CG1-CG2 3.77Å; A159-I161 PolarHBondContact O-N 3.02Å; I161-R163 HydrophobicContact CG2-CB 4.45Å
162Y82.8Confident68.1Low46 Ų4681.6 Ų81.618%0.1845%0.45CS..EExtended strand (participates in β ladder)trans-89.9127.9168.2-173.2-86.2000109.5I141 V144 T164 F478 I481I141-Y162 HydrophobicContact CB-CD1 4.42Å; I141-Y162 HydrophobicContact CB-CE1 4.42Å; I141-Y162 HydrophobicContact CD1-CD1 4.07Å; I141-Y162 HydrophobicContact CD1-CE1 3.62Å; I141-Y162 HydrophobicContact CG2-CD1 4.1Å; V144-Y162 PolarHBondContact N-O 3.09Å; V144-Y162 VanDerWaalsContact N-O 3.14Å; V144-Y162 PolarHBondContact O-N 3.19Å; Y162-T164 HydrophobicContact CE1-CG2 3.73Å; Y162-F478 HydrophobicContact CD1-CB 4.1Å; Y162-F478 AromaticContact CD1-CD1 3.83Å; Y162-F478 HydrophobicContact CD1-CD1 3.83Å; Y162-F478 HydrophobicContact CD1-CG 4.24Å; Y162-F478 HydrophobicContact CD2-CB 3.69Å; Y162-F478 HydrophobicContact CD2-CG 4.47Å; Y162-F478 HydrophobicContact CE1-CB 4.33Å; Y162-F478 HydrophobicContact CE1-CD1 4.33Å; Y162-F478 HydrophobicContact CE2-CB 3.92Å; Y162-F478 HydrophobicContact CG-CB 3.77Å; Y162-F478 HydrophobicContact CG-CD1 4.11Å; Y162-F478 HydrophobicContact CG-CG 4.07Å; Y162-I481 HydrophobicContact CE1-CD1 4.2Å
163R90.8Very high69.3Low58 Ų5876.7 Ų76.722%0.21942%0.424CS..  trans-150.2141.9-178-170.5173.5-172-156.412.2110.7I141 P142 I161 P508 C515I141-R163 WeakPolarHBondContact O-CA 3.31Å; I141-R163 WeakPolarHBondContact O-CG 3.19Å; P142-R163 WeakPolarHBondContact O-CD 3.44Å; P142-R163 WeakPolarHBondContact O-CG 3.06Å; P142-R163 PolarHBondContact O-NE 3.38Å; I161-R163 HydrophobicContact CG2-CB 4.45Å; R163-P508 HydrophobicContact CB-CG 4.15Å; R163-P508 HydrophobicContact CG-CG 3.49Å; R163-P508 VanDerWaalsContact CG-CG 3.49Å; R163-C515 VanDerWaalsContact CZ-O 3.26Å; R163-C515 PolarHBondContact NH1-O 3.33Å; R163-C515 PolarHBondContact NH2-O 3.05Å
164T94.2Very high69.8Low5 Ų576.8 Ų76.83%0.03142%0.424CS..  trans-114.9163.3172.266.20000110.6P139 L140 I141 Y162 P505P139-T164 PolarHBondContact O-OG1 3.38Å; P139-T164 VanDerWaalsContact O-OG1 3.04Å; L140-T164 WeakPolarHBondContact CA-OG1 3.39Å; I141-T164 HydrophobicContact CB-CG2 4.39Å; I141-T164 PolarHBondContact N-OG1 3.27Å; I141-T164 PolarHBondContact O-N 3.48Å; Y162-T164 HydrophobicContact CE1-CG2 3.73Å; T164-P505 HydrophobicContact CG2-CB 3.59Å; T164-P505 HydrophobicContact CG2-CG 4.19Å
165G93.6Very high70.6Confident9 Ų973.5 Ų73.59%0.09341%0.407CS..  trans-57.4141.416900000111.3L140 A506L140-G165 VanDerWaalsContact CD2-O 3.31Å; L140-G165 WeakPolarHBondContact CD2-O 3.32Å; G165-A506 PolarHBondContact N-O 3.09Å
166C95.5Very high71.5Confident11 Ų1169.4 Ų69.47%0.07439%0.388CS..  trans-77.6172.9175.279.40000111.4N115 I119 E168 C169 C512 C515N115-C166 WeakPolarHBondContact OD1-CB 3.41Å; I119-C166 HydrophobicContact CD1-CB 3.67Å; C166-E168 PolarHBondContact O-N 3.11Å; C166-E168 VanDerWaalsContact O-N 3.1Å; C166-E168 PolarHBondContact SG-N 2.75Å; C166-E168 VanDerWaalsContact SG-N 3.44Å; C166-C169 PolarHBondContact N-SG 3.47Å; C166-C169 WeakPolarHBondContact O-CB 3.34Å; C166-C169 PolarHBondContact O-N 2.93Å; C166-C512 VanDerWaalsContact SG-SG 3.61Å; C166-C515 HydrophobicContact CB-CB 3.85Å
167Y95.2Very high72.9Confident9 Ų971.1 Ų71.14%0.03538%0.377CS..THydrogen-bonded Turntrans-56-31.4-180-176-109.5000113.6L108 R111 K112 N115 E127 R172L108-Y167 HydrophobicContact CD1-CE1 3.57Å; L108-Y167 WeakPolarHBondContact CD1-OH 3.12Å; R111-Y167 HydrophobicContact CB-CD1 4.29Å; R111-Y167 HydrophobicContact CB-CE1 3.74Å; R111-Y167 HydrophobicContact CB-CE2 4.48Å; R111-Y167 VanDerWaalsContact CD-OH 3.29Å; R111-Y167 WeakPolarHBondContact CD-OH 3.49Å; K112-Y167 HydrophobicContact CG-CD1 4.23Å; K112-Y167 HydrophobicContact CG-CE1 4.19Å; N115-Y167 VanDerWaalsContact CG-CB 3.46Å; N115-Y167 WeakPolarHBondContact OD1-CB 3.4Å; N115-Y167 PolarHBondContact OD1-N 2.92Å; E127-Y167 HydrophobicContact CG-CD2 3.8Å; E127-Y167 HydrophobicContact CG-CE2 3.91Å; Y167-R172 HydrophobicContact CE1-CG 4.28Å; Y167-R172 HydrophobicContact CE2-CG 4.34Å
168E92.6Very high74.3Confident37 Ų3769.6 Ų69.617%0.17336%0.362CS..THydrogen-bonded Turntrans-97.99.8-176.1-63.3174.188.300113.1K112 N115 R116 C166 Q170 V514K112-E168 HydrophobicContact CD-CG 4.48Å; K112-E168 HydrophobicContact CG-CG 3.96Å; N115-E168 PolarHBondContact ND2-OE2 2.95Å; R116-E168 IonicContact CZ-OE1 2.71Å; R116-E168 IonicContact CZ-OE2 3.73Å; R116-E168 IonicContact NE-OE1 3.59Å; R116-E168 PolarHBondContact NE-OE1 2.71Å; R116-E168 IonicContact NE-OE2 3Å; R116-E168 PolarHBondContact NE-OE2 2.82Å; R116-E168 VanDerWaalsContact NE-OE2 3.1Å; R116-E168 IonicContact NH2-OE1 3.99Å; R116-E168 PolarHBondContact NH2-OE1 3.42Å; R116-E168 IonicContact NH2-OE2 2.77Å; C166-E168 PolarHBondContact O-N 3.11Å; C166-E168 VanDerWaalsContact O-N 3.1Å; C166-E168 PolarHBondContact SG-N 2.75Å; C166-E168 VanDerWaalsContact SG-N 3.44Å; E168-Q170 VanDerWaalsContact C-N 3.3Å; E168-V514 HydrophobicContact CB-CB 4.49Å; E168-V514 HydrophobicContact CB-CG2 4.09Å; E168-V514 HydrophobicContact CG-CG2 4.49Å
169C92.3Very high75.9Confident14 Ų1463 Ų6310%0.09533%0.33CS..SBendtrans-69.7-29173.2-84.10000113.1C166 N509 C515C166-C169 PolarHBondContact N-SG 3.47Å; C166-C169 WeakPolarHBondContact O-CB 3.34Å; C166-C169 PolarHBondContact O-N 2.93Å; C169-N509 HydrophobicContact CB-CB 3.83Å; C169-N509 PolarHBondContact O-ND2 3.33Å; C169-N509 PolarHBondContact SG-N 3.13Å; C169-N509 VanDerWaalsContact SG-N 3.45Å; C169-C515 PolarHBondContact SG-SG 3.2Å
170Q84.3Confident76.9Confident73 Ų7361.3 Ų61.334%0.34132%0.315SS..SBendtrans-115.7138.2175-68.7173.8-49.200108.9E168 R172 E697E168-Q170 VanDerWaalsContact C-N 3.3Å; Q170-R172 PolarHBondContact O-N 3.39Å; Q170-R172 VanDerWaalsContact O-N 3.16Å; Q170-E697 PolarHBondContact NE2-OE1 3.08Å; Q170-E697 PolarHBondContact OE1-OE1 3.31Å
171P76.7Confident77.7Confident127 Ų12757.1 Ų57.183%0.82529%0.29SS*.PPolyproline II helixtrans-60.4120.9171.50.28.1000109
172R76.4Confident77.9Confident67 Ų6752.9 Ų52.925%0.25327%0.27SS..PPolyproline II helixtrans-88.9135.1165.4-54.5-64.5-178.2162.25.7106.1L108 E138 Y167 Q170L108-R172 HydrophobicContact CD1-CB 4.14Å; E138-R172 IonicContact OE1-NH1 3.81Å; E138-R172 IonicContact OE1-NH2 3.92Å; E138-R172 IonicContact OE2-CZ 3.78Å; E138-R172 IonicContact OE2-NH1 3.89Å; E138-R172 IonicContact OE2-NH2 3.05Å; E138-R172 PolarHBondContact OE2-NH2 3.4Å; Y167-R172 HydrophobicContact CE1-CG 4.28Å; Y167-R172 HydrophobicContact CE2-CG 4.34Å; Q170-R172 PolarHBondContact O-N 3.39Å; Q170-R172 VanDerWaalsContact O-N 3.16Å
173G59.2Low78Confident24 Ų2451.4 Ų51.425%0.24727%0.266CS..PPolyproline II helixtrans-46149.2-179.400000112S175G173-S175 PolarHBondContact O-N 2.74Å; G173-S175 VanDerWaalsContact O-N 3.14Å
174L52.3Low77.9Confident148 Ų14848.7 Ų48.778%0.77526%0.255SS*.PPolyproline II helixtrans-64.3118.2173.9-71.1169.2000107.7Q176L174-Q176 PolarHBondContact O-N 3.15Å
175S52.7Low77.7Confident65 Ų6550.1 Ų50.146%0.45526%0.26SS..SBendtrans-59.9-13179.657.20000113.4G173G173-S175 PolarHBondContact O-N 2.74Å; G173-S175 VanDerWaalsContact O-N 3.14Å
176Q57.7Low77.5Confident116 Ų11649.7 Ų49.754%0.54226%0.256SS..SBendtrans-132120.8171.9-82.1177-1800109.8L174 Y178L174-Q176 PolarHBondContact O-N 3.15Å; Q176-Y178 PolarHBondContact O-N 2.91Å
177R66.3Low77.2Confident114 Ų11449.7 Ų49.743%0.4326%0.255SS..  trans-63.2126.6164.6-71.5-176.6179.61731.4108.5Y179 D701R177-Y179 HydrophobicContact CB-CE1 4.34Å; R177-Y179 HydrophobicContact CB-CE2 4.05Å; R177-Y179 WeakPolarHBondContact O-CE2 3.26Å; R177-D701 IonicContact CZ-OD1 2.67Å; R177-D701 IonicContact NE-OD1 3.75Å; R177-D701 IonicContact NH2-OD1 3.64Å; R177-D701 PolarHBondContact NH2-OD1 2.79Å
178Y67.5Low77Confident99 Ų9949.6 Ų49.639%0.38826%0.256SS..  trans-86.9133.9172.2-173.7-95.9000108.9Q176 Q644Q176-Y178 PolarHBondContact O-N 2.91Å; Y178-Q644 PolarHBondContact OH-OE1 3.21Å
179Y75.2Confident76.8Confident36 Ų3651 Ų5114%0.14127%0.27CS..  trans-115.8138.2178.7-58.2-78.9000109.1R177 I184 I192 H193 V196R177-Y179 HydrophobicContact CB-CE1 4.34Å; R177-Y179 HydrophobicContact CB-CE2 4.05Å; R177-Y179 WeakPolarHBondContact O-CE2 3.26Å; Y179-I184 HydrophobicContact CD2-CD1 4.48Å; Y179-I184 HydrophobicContact CG-CD1 4.2Å; Y179-I192 HydrophobicContact CE1-CG2 4.1Å; Y179-I192 HydrophobicContact CE2-CG1 4Å; Y179-I192 WeakPolarHBondContact OH-CG1 3.44Å; Y179-I192 WeakPolarHBondContact OH-CG2 3.45Å; Y179-H193 AromaticContact CD1-CD2 3.32Å; Y179-H193 WeakPolarHBondContact CD1-CD2 3.37Å; Y179-H193 AromaticContact CD1-NE2 3.19Å; Y179-H193 WeakPolarHBondContact CD1-NE2 3.44Å; Y179-H193 AromaticContact CE1-CD2 3.62Å; Y179-H193 AromaticContact CE1-NE2 3.43Å; Y179-H193 WeakPolarHBondContact CE1-NE2 3.41Å; Y179-H193 AromaticContact CG-CD2 3.77Å; Y179-V196 HydrophobicContact CD2-CG2 3.85Å; Y179-V196 HydrophobicContact CE2-CG2 3.91Å
180P72.6Confident76.6Confident22 Ų2254.9 Ų54.914%0.14329%0.287CS..  trans-58.5140177.4-22.833.1000112.1C182 T183 I184 E642P180-C182 VanDerWaalsContact C-N 3.28Å; P180-C182 PolarHBondContact O-N 2.8Å; P180-T183 WeakPolarHBondContact O-CB 3.37Å; P180-T183 PolarHBondContact O-N 3.4Å; P180-I184 PolarHBondContact O-N 3.19Å; P180-I184 VanDerWaalsContact O-N 3.16Å; P180-E642 VanDerWaalsContact CG-O 3.25Å; P180-E642 WeakPolarHBondContact CG-O 3.4Å
181A77.4Confident77Confident16 Ų1652.8 Ų52.813%0.13228%0.279CS..Hα-helixtrans-58.5-37.6-178.800000112.9T183 I184 R185 Q644A181-T183 VanDerWaalsContact C-N 3.34Å; A181-T183 PolarHBondContact O-N 3.37Å; A181-I184 PolarHBondContact O-N 3.38Å; A181-R185 VanDerWaalsContact O-CB 3.26Å; A181-R185 WeakPolarHBondContact O-CB 3.29Å; A181-R185 WeakPolarHBondContact O-CG 3.25Å; A181-R185 PolarHBondContact O-N 3.41Å; A181-Q644 VanDerWaalsContact CB-NE2 3.29Å
182C80.6Confident77.7Confident15 Ų1547.9 Ų47.910%0.10125%0.246CC..Hα-helixtrans-60.7-40.5175.152.50000112.2P180 I184 N186 T187 D222P180-C182 VanDerWaalsContact C-N 3.28Å; P180-C182 PolarHBondContact O-N 2.8Å; C182-I184 PolarHBondContact O-N 2.86Å; C182-N186 WeakPolarHBondContact O-CA 3.15Å; C182-N186 VanDerWaalsContact O-CB 3.28Å; C182-N186 WeakPolarHBondContact O-CB 3.37Å; C182-N186 PolarHBondContact O-N 3.3Å; C182-T187 PolarHBondContact O-N 2.81Å; C182-D222 HydrophobicContact CB-CB 4.39Å; C182-D222 WeakPolarHBondContact CB-OD2 3.38Å
183T85.8Confident78.4Confident14 Ų1445.2 Ų45.29%0.08624%0.236CC..Hα-helixtrans-62.3-43.6174.4-48.40000111.2P180 A181 T187 P188P180-T183 WeakPolarHBondContact O-CB 3.37Å; P180-T183 PolarHBondContact O-N 3.4Å; A181-T183 VanDerWaalsContact C-N 3.34Å; A181-T183 PolarHBondContact O-N 3.37Å; T183-T187 CarbonylContact O-C 3.47Å; T183-T187 PolarHBondContact O-N 3.1Å; T183-P188 VanDerWaalsContact O-CA 3.3Å; T183-P188 WeakPolarHBondContact O-CA 3.44Å; T183-P188 WeakPolarHBondContact O-CD 3.37Å
184I88.2Confident80.2Confident1 Ų144.1 Ų44.11%0.00523%0.225CC..Hα-helixtrans-69.4-44.3-179.5-61.2-52.4000111.7Y179 P180 A181 C182 H193 V196 W197 Y200 R427Y179-I184 HydrophobicContact CD2-CD1 4.48Å; Y179-I184 HydrophobicContact CG-CD1 4.2Å; P180-I184 PolarHBondContact O-N 3.19Å; P180-I184 VanDerWaalsContact O-N 3.16Å; A181-I184 PolarHBondContact O-N 3.38Å; C182-I184 PolarHBondContact O-N 2.86Å; I184-H193 HydrophobicContact CD1-CB 3.81Å; I184-V196 HydrophobicContact CD1-CB 3.94Å; I184-V196 HydrophobicContact CD1-CG1 3.9Å; I184-V196 HydrophobicContact CG1-CG1 4.13Å; I184-V196 HydrophobicContact CG2-CG1 4.38Å; I184-W197 HydrophobicContact CG2-CB 3.77Å; I184-W197 HydrophobicContact CG2-CG 4.4Å; I184-Y200 HydrophobicContact CG2-CD2 4.02Å; I184-Y200 HydrophobicContact CG2-CE2 4.17Å; I184-R427 PolarHBondContact O-NH2 2.91Å
185R89.7Confident82.3Confident36 Ų3637.1 Ų37.114%0.13619%0.188CC..Hα-helixtrans-81.4-41-172.8-66.1171.666.9176.79.8112.7A181 D215 S217 D219 R427A181-R185 VanDerWaalsContact O-CB 3.26Å; A181-R185 WeakPolarHBondContact O-CB 3.29Å; A181-R185 WeakPolarHBondContact O-CG 3.25Å; A181-R185 PolarHBondContact O-N 3.41Å; R185-D215 WeakPolarHBondContact CD-O 3.47Å; R185-D215 VanDerWaalsContact CG-O 3.29Å; R185-D215 WeakPolarHBondContact CG-O 3.4Å; R185-D215 IonicContact CZ-OD2 2.65Å; R185-D215 VanDerWaalsContact CZ-OD2 3.31Å; R185-D215 IonicContact NH1-OD2 2.79Å; R185-D215 IonicContact NH2-OD2 3.93Å; R185-D215 PolarHBondContact NH2-OD2 2.97Å; R185-S217 VanDerWaalsContact CZ-O 3.22Å; R185-S217 PolarHBondContact NE-O 2.91Å; R185-S217 PolarHBondContact NH2-O 3.47Å; R185-D219 HydrophobicContact CB-CB 4.27Å; R185-D219 IonicContact NH1-OD1 3.8Å; R185-D219 IonicContact NH1-OD2 2.9Å; R185-R427 PolarHBondContact O-NH2 3.06Å
186N89.3Confident84.2Confident0 Ų035 Ų350%017%0.172CC..THydrogen-bonded Turntrans-111.8-54.2-170.3-65.1-8.1000113.8C182 P188 D219 D222 L312 L318 W319 F431C182-N186 WeakPolarHBondContact O-CA 3.15Å; C182-N186 VanDerWaalsContact O-CB 3.28Å; C182-N186 WeakPolarHBondContact O-CB 3.37Å; C182-N186 PolarHBondContact O-N 3.3Å; N186-P188 VanDerWaalsContact C-CD 3.41Å; N186-P188 WeakPolarHBondContact O-CD 3.34Å; N186-D219 PolarHBondContact ND2-O 2.88Å; N186-D219 PolarHBondContact OD1-N 3.38Å; N186-D222 VanDerWaalsContact ND2-CB 3.33Å; N186-D222 WeakPolarHBondContact ND2-CB 3.38Å; N186-D222 PolarHBondContact ND2-OD2 3.02Å; N186-L312 HydrophobicContact CB-CD2 3.94Å; N186-L312 WeakPolarHBondContact OD1-CD2 3.29Å; N186-L318 HydrophobicContact CB-CD1 3.96Å; N186-W319 WeakPolarHBondContact O-CH2 3.08Å; N186-F431 VanDerWaalsContact O-CE1 3.28Å; N186-F431 WeakPolarHBondContact O-CE1 3.47Å
187T88.7Confident86Confident10 Ų1029.5 Ų29.56%0.06115%0.147CC..  trans-125.859.6-164.852.80000113.4C182 T183 S189 L318 W319C182-T187 PolarHBondContact O-N 2.81Å; T183-T187 CarbonylContact O-C 3.47Å; T183-T187 PolarHBondContact O-N 3.1Å; T187-S189 PolarHBondContact O-N 3.17Å; T187-L318 HydrophobicContact CG2-CB 4.24Å; T187-L318 HydrophobicContact CG2-CD1 4.29Å; T187-L318 HydrophobicContact CG2-CD2 4.26Å; T187-W319 HydrophobicContact CG2-CH2 3.89Å; T187-W319 HydrophobicContact CG2-CZ3 4.08Å
188P91.5Very high87.5Confident8 Ų824 Ų245%0.05213%0.126CC..  trans-63.3130.6175.928.4-35.2000109.8T183 N186 H193 F431 L433T183-P188 VanDerWaalsContact O-CA 3.3Å; T183-P188 WeakPolarHBondContact O-CA 3.44Å; T183-P188 WeakPolarHBondContact O-CD 3.37Å; N186-P188 VanDerWaalsContact C-CD 3.41Å; N186-P188 WeakPolarHBondContact O-CD 3.34Å; P188-H193 HydrophobicContact CB-CB 3.7Å; P188-F431 VanDerWaalsContact CD-CE1 3.43Å; P188-F431 HydrophobicContact CG-CB 4.38Å; P188-F431 HydrophobicContact CG-CD1 3.59Å; P188-F431 HydrophobicContact CG-CD2 3.85Å; P188-F431 HydrophobicContact CG-CE1 3.68Å; P188-F431 HydrophobicContact CG-CE2 3.93Å; P188-F431 HydrophobicContact CG-CG 3.67Å; P188-F431 HydrophobicContact CG-CZ 3.82Å; P188-L433 WeakPolarHBondContact O-CD2 3.38Å
189S87.7Confident88.8Confident65 Ų6521.6 Ų21.646%0.45512%0.118SC..  trans-109.6-17.7176.252.40000114.8T187 H193T187-S189 PolarHBondContact O-N 3.17Å; S189-H193 PolarHBondContact N-ND1 2.78Å; S189-H193 PolarHBondContact OG-CE1 3.26Å; S189-H193 PolarHBondContact OG-ND1 3.43Å
190E89.7Confident89.7Confident96 Ų9621.7 Ų21.745%0.44912%0.118SC..SBendtrans-130.7149.7-176-64.5-176.1178.400111I192 H193E190-I192 HydrophobicContact CB-CG2 3.95Å; E190-I192 PolarHBondContact O-N 2.73Å; E190-I192 VanDerWaalsContact O-N 3.1Å; E190-H193 PolarHBondContact N-ND1 3.17Å; E190-H193 WeakPolarHBondContact O-CB 3.23Å; E190-H193 PolarHBondContact O-N 3.21Å
191P92Very high90.8Very high29 Ų2920.7 Ų20.719%0.18811%0.111CC..Hα-helixtrans-53.5-33.6179-29.235.8000114H193 C194 V195 L439 L447P191-H193 VanDerWaalsContact C-N 3.27Å; P191-H193 PolarHBondContact O-N 3.45Å; P191-C194 WeakPolarHBondContact O-CB 3.41Å; P191-C194 PolarHBondContact O-N 2.99Å; P191-C194 VanDerWaalsContact O-N 3.13Å; P191-V195 WeakPolarHBondContact O-CG2 3.49Å; P191-V195 PolarHBondContact O-N 2.98Å; P191-V195 VanDerWaalsContact O-N 3.08Å; P191-L439 HydrophobicContact CB-CD1 4.08Å; P191-L439 HydrophobicContact CB-CD2 3.93Å; P191-L439 HydrophobicContact CG-CD1 4.36Å; P191-L439 HydrophobicContact CG-CD2 4.14Å; P191-L447 HydrophobicContact CB-CD1 4.35Å
192I91.3Very high91.7Very high24 Ų2420 Ų2012%0.12311%0.105CC..Hα-helixtrans-62.2-32.6177.7-170.860.2000112.5Y179 E190 C194 V195 V196 L447Y179-I192 HydrophobicContact CE1-CG2 4.1Å; Y179-I192 HydrophobicContact CE2-CG1 4Å; Y179-I192 WeakPolarHBondContact OH-CG1 3.44Å; Y179-I192 WeakPolarHBondContact OH-CG2 3.45Å; E190-I192 HydrophobicContact CB-CG2 3.95Å; E190-I192 PolarHBondContact O-N 2.73Å; E190-I192 VanDerWaalsContact O-N 3.1Å; I192-C194 VanDerWaalsContact C-N 3.32Å; I192-C194 PolarHBondContact O-N 2.93Å; I192-V195 HydrophobicContact CD1-CB 4.28Å; I192-V195 HydrophobicContact CD1-CG1 4.44Å; I192-V195 WeakPolarHBondContact O-CB 3.47Å; I192-V195 PolarHBondContact O-N 3.39Å; I192-V195 VanDerWaalsContact O-N 3.17Å; I192-V196 WeakPolarHBondContact O-CG2 3.16Å; I192-V196 PolarHBondContact O-N 3.06Å; I192-L447 HydrophobicContact CD1-CB 4Å; I192-L447 HydrophobicContact CD1-CD2 4.33Å
193H92Very high92.2Very high12 Ų1220.8 Ų20.86%0.05611%0.109CC..Hα-helixtrans-64-39.4175.2-57.3152.8000111.3Y179 I184 P188 S189 E190 P191 V195 V196 W197Y179-H193 AromaticContact CD1-CD2 3.32Å; Y179-H193 WeakPolarHBondContact CD1-CD2 3.37Å; Y179-H193 AromaticContact CD1-NE2 3.19Å; Y179-H193 WeakPolarHBondContact CD1-NE2 3.44Å; Y179-H193 AromaticContact CE1-CD2 3.62Å; Y179-H193 AromaticContact CE1-NE2 3.43Å; Y179-H193 WeakPolarHBondContact CE1-NE2 3.41Å; Y179-H193 AromaticContact CG-CD2 3.77Å; I184-H193 HydrophobicContact CD1-CB 3.81Å; P188-H193 HydrophobicContact CB-CB 3.7Å; S189-H193 PolarHBondContact N-ND1 2.78Å; S189-H193 PolarHBondContact OG-CE1 3.26Å; S189-H193 PolarHBondContact OG-ND1 3.43Å; E190-H193 PolarHBondContact N-ND1 3.17Å; E190-H193 WeakPolarHBondContact O-CB 3.23Å; E190-H193 PolarHBondContact O-N 3.21Å; P191-H193 VanDerWaalsContact C-N 3.27Å; P191-H193 PolarHBondContact O-N 3.45Å; H193-V195 VanDerWaalsContact C-N 3.33Å; H193-V196 PolarHBondContact O-N 3.08Å; H193-W197 WeakPolarHBondContact O-CB 3.43Å; H193-W197 PolarHBondContact O-N 2.84Å
194C96.9Very high92.5Very high0 Ų021.2 Ų21.20%011%0.109CC..Hα-helixtrans-68.9-32.4174.7-63.90000112.6P191 I192 A198 S424 R427 S428P191-C194 WeakPolarHBondContact O-CB 3.41Å; P191-C194 PolarHBondContact O-N 2.99Å; P191-C194 VanDerWaalsContact O-N 3.13Å; I192-C194 VanDerWaalsContact C-N 3.32Å; I192-C194 PolarHBondContact O-N 2.93Å; C194-A198 WeakPolarHBondContact O-CB 3.37Å; C194-A198 PolarHBondContact O-N 3.16Å; C194-S424 WeakPolarHBondContact CB-O 3.37Å; C194-S424 PolarHBondContact O-OG 3.49Å; C194-R427 HydrophobicContact CB-CB 4.29Å; C194-R427 HydrophobicContact CB-CG 4.48Å; C194-S428 WeakPolarHBondContact CB-OG 3.47Å; C194-S428 PolarHBondContact SG-OG 3.09Å
195V95.9Very high92.7Very high1 Ų121.2 Ų21.21%0.00611%0.109CC..Hα-helixtrans-66.6-45.3173.4174.70000111.8P191 I192 H193 A198 K199 V420 S424 I444 L447 A448P191-V195 WeakPolarHBondContact O-CG2 3.49Å; P191-V195 PolarHBondContact O-N 2.98Å; P191-V195 VanDerWaalsContact O-N 3.08Å; I192-V195 HydrophobicContact CD1-CB 4.28Å; I192-V195 HydrophobicContact CD1-CG1 4.44Å; I192-V195 WeakPolarHBondContact O-CB 3.47Å; I192-V195 PolarHBondContact O-N 3.39Å; I192-V195 VanDerWaalsContact O-N 3.17Å; H193-V195 VanDerWaalsContact C-N 3.33Å; V195-A198 PolarHBondContact O-N 3.43Å; V195-K199 WeakPolarHBondContact O-CG 3.35Å; V195-K199 PolarHBondContact O-N 3.11Å; V195-V420 HydrophobicContact CG1-CG1 4.43Å; V195-S424 WeakPolarHBondContact CA-OG 3.36Å; V195-I444 HydrophobicContact CG2-CD1 3.78Å; V195-I444 HydrophobicContact CG2-CG2 3.86Å; V195-L447 HydrophobicContact CG1-CB 4.4Å; V195-L447 HydrophobicContact CG2-CB 4.13Å; V195-L447 HydrophobicContact CG2-CD1 4.19Å; V195-A448 VanDerWaalsContact CG1-CA 3.48Å; V195-A448 HydrophobicContact CG1-CB 3.55Å
196V92Very high92.9Very high21 Ų2119.6 Ų19.613%0.12710%0.103CC..Hα-helixtrans-61.9-46.2175.3172.60000110.4Y179 I184 I192 H193 A198 K199 Y200Y179-V196 HydrophobicContact CD2-CG2 3.85Å; Y179-V196 HydrophobicContact CE2-CG2 3.91Å; I184-V196 HydrophobicContact CD1-CB 3.94Å; I184-V196 HydrophobicContact CD1-CG1 3.9Å; I184-V196 HydrophobicContact CG1-CG1 4.13Å; I184-V196 HydrophobicContact CG2-CG1 4.38Å; I192-V196 WeakPolarHBondContact O-CG2 3.16Å; I192-V196 PolarHBondContact O-N 3.06Å; H193-V196 PolarHBondContact O-N 3.08Å; V196-A198 VanDerWaalsContact C-N 3.31Å; V196-A198 PolarHBondContact O-N 2.86Å; V196-K199 PolarHBondContact O-N 2.69Å; V196-K199 VanDerWaalsContact O-N 3.15Å; V196-Y200 HydrophobicContact CG1-CD1 4.41Å; V196-Y200 HydrophobicContact CG1-CD2 4.22Å; V196-Y200 HydrophobicContact CG1-CE1 3.91Å; V196-Y200 HydrophobicContact CG1-CE2 3.69Å; V196-Y200 PolarHBondContact O-N 3.34Å
197W95.9Very high93Very high0 Ų019.6 Ų19.60%010%0.103CC..Hα-helixtrans-56.1-43.5174.3-179.287.1000112.5I184 H193 K199 Y200 L201 V216 L304 F305 A423I184-W197 HydrophobicContact CG2-CB 3.77Å; I184-W197 HydrophobicContact CG2-CG 4.4Å; H193-W197 WeakPolarHBondContact O-CB 3.43Å; H193-W197 PolarHBondContact O-N 2.84Å; W197-K199 VanDerWaalsContact C-N 3.34Å; W197-K199 PolarHBondContact O-N 3.37Å; W197-Y200 PolarHBondContact O-N 3.12Å; W197-L201 HydrophobicContact CH2-CD2 3.73Å; W197-L201 HydrophobicContact CZ2-CD2 4.43Å; W197-L201 HydrophobicContact CZ3-CD2 3.83Å; W197-L201 WeakPolarHBondContact O-CB 3.44Å; W197-L201 PolarHBondContact O-N 3.21Å; W197-V216 HydrophobicContact CZ2-CB 4.39Å; W197-V216 PolarHBondContact NE1-O 3.06Å; W197-L304 HydrophobicContact CH2-CB 4.31Å; W197-L304 HydrophobicContact CH2-CD1 4.49Å; W197-L304 HydrophobicContact CH2-CD2 4.26Å; W197-L304 HydrophobicContact CZ2-CD2 4.12Å; W197-F305 HydrophobicContact CH2-CE1 4.21Å; W197-F305 HydrophobicContact CZ3-CE1 4.25Å; W197-A423 HydrophobicContact CZ3-CB 4.28Å
198A97.6Very high92.7Very high0 Ų025.8 Ų25.80%013%0.132CC..Hα-helixtrans-67.9-33.1179.500000112.8C194 V195 V196 L201 F202 V420 A423 S424C194-A198 WeakPolarHBondContact O-CB 3.37Å; C194-A198 PolarHBondContact O-N 3.16Å; V195-A198 PolarHBondContact O-N 3.43Å; V196-A198 VanDerWaalsContact C-N 3.31Å; V196-A198 PolarHBondContact O-N 2.86Å; A198-L201 PolarHBondContact O-N 2.98Å; A198-F202 PolarHBondContact O-N 3.23Å; A198-V420 HydrophobicContact CB-CG1 4.12Å; A198-A423 HydrophobicContact CB-CB 3.83Å; A198-S424 VanDerWaalsContact CB-OG 3.24Å; A198-S424 WeakPolarHBondContact CB-OG 3.4Å
199K94.5Very high91.9Very high48 Ų4827 Ų2721%0.20914%0.14CC..Hα-helixtrans-69.3-42172.6-70.6-179.971.1173.20111.7V195 V196 W197 L201 F202 N203 V420 A448V195-K199 WeakPolarHBondContact O-CG 3.35Å; V195-K199 PolarHBondContact O-N 3.11Å; V196-K199 PolarHBondContact O-N 2.69Å; V196-K199 VanDerWaalsContact O-N 3.15Å; W197-K199 VanDerWaalsContact C-N 3.34Å; W197-K199 PolarHBondContact O-N 3.37Å; K199-L201 VanDerWaalsContact C-N 3.29Å; K199-L201 PolarHBondContact O-N 3.14Å; K199-F202 WeakPolarHBondContact O-CB 3.36Å; K199-F202 PolarHBondContact O-N 2.83Å; K199-N203 PolarHBondContact O-N 2.98Å; K199-V420 HydrophobicContact CG-CG1 4.19Å; K199-V420 HydrophobicContact CG-CG2 4.17Å; K199-A448 HydrophobicContact CD-CB 4.39Å; K199-A448 PolarHBondContact NZ-O 3.03Å
200Y93.8Very high91.1Very high38 Ų3826.9 Ų26.915%0.14913%0.134CC..Hα-helixtrans-61.5-40.8173.1-66.8-6.7000111.1I184 V196 W197 F202 N203 Q204 D213 E214I184-Y200 HydrophobicContact CG2-CD2 4.02Å; I184-Y200 HydrophobicContact CG2-CE2 4.17Å; V196-Y200 HydrophobicContact CG1-CD1 4.41Å; V196-Y200 HydrophobicContact CG1-CD2 4.22Å; V196-Y200 HydrophobicContact CG1-CE1 3.91Å; V196-Y200 HydrophobicContact CG1-CE2 3.69Å; V196-Y200 PolarHBondContact O-N 3.34Å; W197-Y200 PolarHBondContact O-N 3.12Å; Y200-F202 VanDerWaalsContact C-N 3.33Å; Y200-F202 PolarHBondContact O-N 2.99Å; Y200-N203 PolarHBondContact O-N 2.95Å; Y200-Q204 WeakPolarHBondContact O-CB 3.2Å; Y200-Q204 VanDerWaalsContact O-CG 3.26Å; Y200-Q204 WeakPolarHBondContact O-CG 3.25Å; Y200-Q204 PolarHBondContact O-N 3.42Å; Y200-D213 WeakPolarHBondContact CE2-O 3.43Å; Y200-E214 HydrophobicContact CD1-CB 3.99Å; Y200-E214 HydrophobicContact CD1-CG 3.5Å; Y200-E214 HydrophobicContact CD2-CB 4.3Å; Y200-E214 HydrophobicContact CD2-CG 4.39Å; Y200-E214 HydrophobicContact CE1-CB 4.49Å; Y200-E214 HydrophobicContact CE1-CG 3.63Å; Y200-E214 HydrophobicContact CE2-CG 4.49Å; Y200-E214 HydrophobicContact CG-CB 3.89Å; Y200-E214 HydrophobicContact CG-CG 3.92Å
201L96.1Very high89.9Confident0 Ų028.1 Ų28.10%015%0.148CC..Hα-helixtrans-61.2-41.7174.8-177.468.6000111.8W197 A198 K199 Q204 L205 V216 L270 L304 F387 F419W197-L201 HydrophobicContact CH2-CD2 3.73Å; W197-L201 HydrophobicContact CZ2-CD2 4.43Å; W197-L201 HydrophobicContact CZ3-CD2 3.83Å; W197-L201 WeakPolarHBondContact O-CB 3.44Å; W197-L201 PolarHBondContact O-N 3.21Å; A198-L201 PolarHBondContact O-N 2.98Å; K199-L201 VanDerWaalsContact C-N 3.29Å; K199-L201 PolarHBondContact O-N 3.14Å; L201-Q204 PolarHBondContact O-N 2.91Å; L201-L205 HydrophobicContact CD1-CD1 3.88Å; L201-L205 HydrophobicContact CD1-CG 4.22Å; L201-L205 HydrophobicContact CG-CD1 3.94Å; L201-L205 WeakPolarHBondContact O-CB 3.46Å; L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 3.01Å; L201-V216 HydrophobicContact CB-CG1 4.08Å; L201-V216 HydrophobicContact CD1-CG2 3.94Å; L201-L270 HydrophobicContact CD1-CD2 3.71Å; L201-L304 HydrophobicContact CD1-CD1 3.94Å; L201-L304 HydrophobicContact CD1-CD2 3.78Å; L201-L304 HydrophobicContact CD2-CD1 3.61Å; L201-L304 HydrophobicContact CG-CD1 4.4Å; L201-F387 HydrophobicContact CD2-CE2 4.36Å; L201-F419 HydrophobicContact CB-CE1 4.41Å; L201-F419 HydrophobicContact CB-CZ 4.46Å; L201-F419 HydrophobicContact CD2-CE1 4.15Å; L201-F419 HydrophobicContact CD2-CZ 3.59Å; L201-F419 HydrophobicContact CG-CE1 4.21Å; L201-F419 HydrophobicContact CG-CZ 3.77Å
202F96.3Very high88.6Confident2 Ų232.2 Ų32.21%0.00917%0.168CC..Hα-helixtrans-59.4-48.2174.9179.7-82.2000110.9A198 K199 Y200 L205 F206 G207 L394 L407 W409 A416 F419A198-F202 PolarHBondContact O-N 3.23Å; K199-F202 WeakPolarHBondContact O-CB 3.36Å; K199-F202 PolarHBondContact O-N 2.83Å; Y200-F202 VanDerWaalsContact C-N 3.33Å; Y200-F202 PolarHBondContact O-N 2.99Å; F202-L205 PolarHBondContact O-N 2.89Å; F202-F206 AromaticContact CD2-CD2 3.94Å; F202-F206 HydrophobicContact CD2-CD2 3.94Å; F202-F206 HydrophobicContact CE2-CD2 4.14Å; F202-F206 HydrophobicContact CG-CD2 4.42Å; F202-F206 HydrophobicContact CZ-CB 4.48Å; F202-F206 PolarHBondContact O-N 3.1Å; F202-G207 PolarHBondContact O-N 2.64Å; F202-L394 HydrophobicContact CD2-CD1 4.17Å; F202-L394 HydrophobicContact CE2-CD1 3.85Å; F202-L394 HydrophobicContact CE2-CD2 3.96Å; F202-L407 HydrophobicContact CE1-CB 4.3Å; F202-L407 HydrophobicContact CZ-CB 4.01Å; F202-W409 HydrophobicContact CD1-CB 3.7Å; F202-W409 AromaticContact CD1-CD1 3.98Å; F202-W409 HydrophobicContact CD1-CG 4.24Å; F202-W409 AromaticContact CD2-CD1 3.95Å; F202-W409 HydrophobicContact CE1-CB 3.62Å; F202-W409 HydrophobicContact CE1-CG 4.36Å; F202-W409 HydrophobicContact CG-CB 4.44Å; F202-W409 AromaticContact CG-CD1 3.86Å; F202-W409 HydrophobicContact CZ-CB 4.27Å; F202-A416 HydrophobicContact CD2-CB 4.36Å; F202-A416 HydrophobicContact CE2-CB 3.57Å; F202-A416 HydrophobicContact CZ-CB 4.02Å; F202-F419 HydrophobicContact CB-CD1 3.95Å; F202-F419 HydrophobicContact CB-CE1 3.72Å; F202-F419 AromaticContact CD2-CD1 3.83Å; F202-F419 HydrophobicContact CD2-CD1 3.83Å; F202-F419 HydrophobicContact CD2-CE1 4.3Å; F202-F419 HydrophobicContact CD2-CG 4.41Å; F202-F419 HydrophobicContact CG-CD1 4.4Å
203N92.3Very high87.6Confident32 Ų3232 Ų3217%0.17117%0.167CC..Hα-helixtrans-64.7-40.9179.4-72.9-9.7000112.2K199 Y200 L205 G207 E214 R271K199-N203 PolarHBondContact O-N 2.98Å; Y200-N203 PolarHBondContact O-N 2.95Å; N203-L205 PolarHBondContact O-N 3.34Å; N203-G207 CarbonylContact O-C 3.14Å; N203-G207 WeakPolarHBondContact O-CA 3.25Å; N203-G207 PolarHBondContact O-N 3.33Å; N203-G207 VanDerWaalsContact O-N 3.07Å; N203-E214 VanDerWaalsContact CB-OE2 3.24Å; N203-E214 WeakPolarHBondContact CB-OE2 3.32Å; N203-E214 PolarHBondContact ND2-OE1 3.5Å; N203-E214 VanDerWaalsContact ND2-OE1 3.12Å; N203-E214 PolarHBondContact ND2-OE2 3.39Å; N203-R271 PolarHBondContact O-NH2 3.3Å
204Q91.5Very high87.1Confident22 Ų2233 Ų3310%0.10317%0.172CC..Hα-helixtrans-61.6-40.5175.9-75.9-75.1-800112.2Y200 L201 P209 E214 L270 R271Y200-Q204 WeakPolarHBondContact O-CB 3.2Å; Y200-Q204 VanDerWaalsContact O-CG 3.26Å; Y200-Q204 WeakPolarHBondContact O-CG 3.25Å; Y200-Q204 PolarHBondContact O-N 3.42Å; L201-Q204 PolarHBondContact O-N 2.91Å; Q204-P209 HydrophobicContact CG-CB 4.15Å; Q204-E214 WeakPolarHBondContact CG-O 3.34Å; Q204-E214 PolarHBondContact NE2-O 2.89Å; Q204-L270 HydrophobicContact CB-CD2 4.38Å; Q204-R271 VanDerWaalsContact O-CZ 3.32Å; Q204-R271 PolarHBondContact O-NE 3.48Å; Q204-R271 PolarHBondContact O-NH2 3.09Å
205L92.8Very high86.6Confident1 Ų135.4 Ų35.41%0.00519%0.185CC..Hα-helixtrans-85-50.2-177.4-67.6172.9000113.2L201 F202 N203 L270 R271 F274 L300 F419L201-L205 HydrophobicContact CD1-CD1 3.88Å; L201-L205 HydrophobicContact CD1-CG 4.22Å; L201-L205 HydrophobicContact CG-CD1 3.94Å; L201-L205 WeakPolarHBondContact O-CB 3.46Å; L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 3.01Å; F202-L205 PolarHBondContact O-N 2.89Å; N203-L205 PolarHBondContact O-N 3.34Å; L205-L270 HydrophobicContact CD2-CD2 4.28Å; L205-L270 HydrophobicContact CD2-CG 3.99Å; L205-R271 PolarHBondContact O-NE 2.89Å; L205-F274 HydrophobicContact CD2-CB 4.04Å; L205-F274 HydrophobicContact CD2-CD1 4.04Å; L205-F274 HydrophobicContact CD2-CG 4.09Å; L205-L300 HydrophobicContact CD1-CD1 4.26Å; L205-L300 HydrophobicContact CD1-CD2 3.59Å; L205-L300 HydrophobicContact CD2-CD1 4.14Å; L205-L300 HydrophobicContact CD2-CD2 4.42Å; L205-F419 HydrophobicContact CD1-CE2 4.31Å; L205-F419 HydrophobicContact CD1-CZ 3.97Å
206F93.7Very high86.3Confident2 Ų235.5 Ų35.51%0.00919%0.185CC..THydrogen-bonded Turntrans-118.2-20.8-167.7-45.7-64.6000113.6F202 F274 V391 L394 Q395 V398 L407 F419F202-F206 AromaticContact CD2-CD2 3.94Å; F202-F206 HydrophobicContact CD2-CD2 3.94Å; F202-F206 HydrophobicContact CE2-CD2 4.14Å; F202-F206 HydrophobicContact CG-CD2 4.42Å; F202-F206 HydrophobicContact CZ-CB 4.48Å; F202-F206 PolarHBondContact O-N 3.1Å; F206-F274 HydrophobicContact CE1-CE1 4.22Å; F206-V391 HydrophobicContact CZ-CG1 4.37Å; F206-L394 HydrophobicContact CD1-CB 4.13Å; F206-L394 HydrophobicContact CD2-CB 4.11Å; F206-L394 HydrophobicContact CD2-CD1 3.92Å; F206-L394 HydrophobicContact CE1-CB 3.99Å; F206-L394 HydrophobicContact CE2-CB 3.96Å; F206-L394 HydrophobicContact CE2-CD1 3.68Å; F206-L394 HydrophobicContact CE2-CG 4.48Å; F206-L394 HydrophobicContact CG-CB 4.19Å; F206-L394 HydrophobicContact CZ-CB 3.91Å; F206-L394 HydrophobicContact CZ-CD1 4.34Å; F206-Q395 HydrophobicContact CE1-CB 4.21Å; F206-V398 HydrophobicContact CB-CG2 4.16Å; F206-V398 HydrophobicContact CD1-CG2 4.13Å; F206-L407 HydrophobicContact CB-CB 4.29Å; F206-L407 HydrophobicContact CB-CD1 4.03Å; F206-L407 HydrophobicContact CB-CG 4.31Å; F206-L407 PolarHBondContact O-N 2.92Å; F206-F419 HydrophobicContact CE2-CD2 4.04Å; F206-F419 AromaticContact CE2-CE2 3.75Å; F206-F419 HydrophobicContact CE2-CE2 3.75Å; F206-F419 HydrophobicContact CE2-CZ 4.02Å; F206-F419 HydrophobicContact CZ-CE2 4.38Å
207G90Very high86.3Confident0 Ų035.8 Ų35.80%019%0.188CC..SBendtrans-100.8-153.4-17500000114.8F202 N203 R271 Y406 L407F202-G207 PolarHBondContact O-N 2.64Å; N203-G207 CarbonylContact O-C 3.14Å; N203-G207 WeakPolarHBondContact O-CA 3.25Å; N203-G207 PolarHBondContact O-N 3.33Å; N203-G207 VanDerWaalsContact O-N 3.07Å; G207-R271 VanDerWaalsContact O-CZ 3.27Å; G207-R271 PolarHBondContact O-NH1 3.44Å; G207-R271 VanDerWaalsContact O-NH1 3.09Å; G207-R271 PolarHBondContact O-NH2 3.49Å; G207-Y406 WeakPolarHBondContact O-CD1 3.4Å; G207-L407 WeakPolarHBondContact CA-O 3.33Å
208Q84.2Confident85.9Confident141 Ų14136.3 Ų36.366%0.65919%0.192SC*.  trans-111106.7171-171.2173.7700108Y406Q208-Y406 HydrophobicContact CB-CD2 3.74Å; Q208-Y406 HydrophobicContact CB-CE2 4.21Å; Q208-Y406 HydrophobicContact CB-CG 4.04Å; Q208-Y406 HydrophobicContact CG-CD2 4.06Å; Q208-Y406 HydrophobicContact CG-CE2 4.04Å
209P73.6Confident85.3Confident33 Ų3337.2 Ų37.221%0.21420%0.196CC..  trans-76.5143.4-176.529.2-32.2000111.5Q204 V211 E214Q204-P209 HydrophobicContact CG-CB 4.15Å; P209-V211 PolarHBondContact O-N 2.99Å; P209-E214 WeakPolarHBondContact CA-OE2 2.95Å
210D70.5Confident84.8Confident62 Ų6241.1 Ų41.133%0.33221%0.214SC..  trans-74.7107.7159.3-169.6-28.6000108.5N212 D213 E214D210-N212 PolarHBondContact O-N 3.5Å; D210-N212 PolarHBondContact OD1-N 3.21Å; D210-N212 VanDerWaalsContact OD1-N 3.08Å; D210-D213 HydrophobicContact CB-CB 4.35Å; D210-D213 PolarHBondContact O-N 3.44Å; D210-D213 VanDerWaalsContact O-N 3.16Å; D210-E214 HydrophobicContact CB-CB 4.47Å; D210-E214 HydrophobicContact CB-CG 3.92Å; D210-E214 PolarHBondContact N-OE2 2.93Å; D210-E214 WeakPolarHBondContact O-CB 3.47Å; D210-E214 PolarHBondContact O-N 3.32Å
211V65.8Low84.2Confident122 Ų12243.9 Ų43.974%0.73924%0.239SC*.THydrogen-bonded Turntrans-57.1-26.8-174.7-174.40000112.2P209P209-V211 PolarHBondContact O-N 2.99Å
212N63.2Low83.2Confident116 Ų11644.1 Ų44.162%0.6224%0.24SC*.THydrogen-bonded Turntrans-90.9-27.4-177.3-61.7-50.2000113.4D210D210-N212 PolarHBondContact O-N 3.5Å; D210-N212 PolarHBondContact OD1-N 3.21Å; D210-N212 VanDerWaalsContact OD1-N 3.08Å
213D71.6Confident82.2Confident18 Ų1849.8 Ų49.810%0.09628%0.277CS..THydrogen-bonded Turntrans-121.4-19.3-164.9-64.4-21.2000113.7Y200 D210 R541Y200-D213 WeakPolarHBondContact CE2-O 3.43Å; D210-D213 HydrophobicContact CB-CB 4.35Å; D210-D213 PolarHBondContact O-N 3.44Å; D210-D213 VanDerWaalsContact O-N 3.16Å; D213-R541 IonicContact OD1-CZ 3.96Å; D213-R541 IonicContact OD1-NH2 3.1Å; D213-R541 PolarHBondContact OD1-NH2 2.88Å; D213-R541 IonicContact OD2-CZ 3.92Å; D213-R541 IonicContact OD2-NH2 4Å; D213-R541 PolarHBondContact OD2-NH2 2.72Å
214E81.1Confident81.2Confident33 Ų3349.5 Ų49.515%0.15428%0.277CS..  trans-110.924.6-171.4-62.8-170158.200114.4Y200 N203 Q204 P209 D210Y200-E214 HydrophobicContact CD1-CB 3.99Å; Y200-E214 HydrophobicContact CD1-CG 3.5Å; Y200-E214 HydrophobicContact CD2-CB 4.3Å; Y200-E214 HydrophobicContact CD2-CG 4.39Å; Y200-E214 HydrophobicContact CE1-CB 4.49Å; Y200-E214 HydrophobicContact CE1-CG 3.63Å; Y200-E214 HydrophobicContact CE2-CG 4.49Å; Y200-E214 HydrophobicContact CG-CB 3.89Å; Y200-E214 HydrophobicContact CG-CG 3.92Å; N203-E214 VanDerWaalsContact CB-OE2 3.24Å; N203-E214 WeakPolarHBondContact CB-OE2 3.32Å; N203-E214 PolarHBondContact ND2-OE1 3.5Å; N203-E214 VanDerWaalsContact ND2-OE1 3.12Å; N203-E214 PolarHBondContact ND2-OE2 3.39Å; Q204-E214 WeakPolarHBondContact CG-O 3.34Å; Q204-E214 PolarHBondContact NE2-O 2.89Å; P209-E214 WeakPolarHBondContact CA-OE2 2.95Å; D210-E214 HydrophobicContact CB-CB 4.47Å; D210-E214 HydrophobicContact CB-CG 3.92Å; D210-E214 PolarHBondContact N-OE2 2.93Å; D210-E214 WeakPolarHBondContact O-CB 3.47Å; D210-E214 PolarHBondContact O-N 3.32Å
215D85.9Confident80.4Confident52 Ų5250 Ų5028%0.27828%0.28SS..  trans-70.7142.9169.6-169.67000110.8R185 S217R185-D215 WeakPolarHBondContact CD-O 3.47Å; R185-D215 VanDerWaalsContact CG-O 3.29Å; R185-D215 WeakPolarHBondContact CG-O 3.4Å; R185-D215 IonicContact CZ-OD2 2.65Å; R185-D215 VanDerWaalsContact CZ-OD2 3.31Å; R185-D215 IonicContact NH1-OD2 2.79Å; R185-D215 IonicContact NH2-OD2 3.93Å; R185-D215 PolarHBondContact NH2-OD2 2.97Å; D215-S217 PolarHBondContact OD1-N 3.15Å; D215-S217 PolarHBondContact OD1-OG 3.11Å
216V90.7Very high79Confident2 Ų256.4 Ų56.41%0.01231%0.311CS..  trans-114.8-13.4-175-68.10000113.2W197 L201 L270W197-V216 HydrophobicContact CZ2-CB 4.39Å; W197-V216 PolarHBondContact NE1-O 3.06Å; L201-V216 HydrophobicContact CB-CG1 4.08Å; L201-V216 HydrophobicContact CD1-CG2 3.94Å; V216-L270 HydrophobicContact CG2-CD2 3.51Å
217S90.7Very high77Confident28 Ų2864.4 Ų64.420%0.19635%0.353CS..SBendtrans-71.9151.8-178.9-48.70000110.7R185 D215 D219R185-S217 VanDerWaalsContact CZ-O 3.22Å; R185-S217 PolarHBondContact NE-O 2.91Å; R185-S217 PolarHBondContact NH2-O 3.47Å; D215-S217 PolarHBondContact OD1-N 3.15Å; D215-S217 PolarHBondContact OD1-OG 3.11Å; S217-D219 PolarHBondContact O-N 3.09Å
218P89Confident74.7Confident11 Ų1170.7 Ų70.77%0.07138%0.382CS..  trans-50.7131.6175.9-29.537.4000113.1D308 T311 L312 M315P218-D308 HydrophobicContact CG-CB 4.04Å; P218-T311 HydrophobicContact CB-CG2 4.27Å; P218-T311 HydrophobicContact CG-CG2 4.26Å; P218-L312 HydrophobicContact CB-CD2 3.76Å; P218-L312 HydrophobicContact CB-CG 4.03Å; P218-L312 HydrophobicContact CG-CD1 4.45Å; P218-L312 HydrophobicContact CG-CD2 4.15Å; P218-L312 HydrophobicContact CG-CG 3.86Å; P218-M315 HydrophobicContact CB-CE 3.7Å
219D84.4Confident72.4Confident18 Ų1870.1 Ų70.110%0.09638%0.384CS..  trans-90.7107.2-177.1-169.6-6.7000111.1R185 N186 S217 S221R185-D219 HydrophobicContact CB-CB 4.27Å; R185-D219 IonicContact NH1-OD1 3.8Å; R185-D219 IonicContact NH1-OD2 2.9Å; N186-D219 PolarHBondContact ND2-O 2.88Å; N186-D219 PolarHBondContact OD1-N 3.38Å; S217-D219 PolarHBondContact O-N 3.09Å; D219-S221 VanDerWaalsContact C-N 3.26Å; D219-S221 PolarHBondContact O-N 2.77Å; D219-S221 WeakPolarHBondContact OD1-CA 3.44Å; D219-S221 WeakPolarHBondContact OD1-CB 3.36Å; D219-S221 PolarHBondContact OD1-N 3.18Å; D219-S221 PolarHBondContact OD1-OG 3.18Å
220F84.3Confident70.7Confident131 Ų13178.9 Ų78.958%0.57541%0.413SS*.THydrogen-bonded Turntrans-80.3-5.8176.3-66.1-90.9000113.7T311 M315F220-T311 HydrophobicContact CE1-CG2 4.29Å; F220-T311 HydrophobicContact CE2-CG2 4.35Å; F220-T311 HydrophobicContact CZ-CG2 3.55Å; F220-M315 HydrophobicContact CD1-CE 3.5Å; F220-M315 HydrophobicContact CD2-CE 4.07Å; F220-M315 HydrophobicContact CE1-CE 3.42Å; F220-M315 VanDerWaalsContact CE1-CE 3.42Å; F220-M315 HydrophobicContact CE2-CE 4Å; F220-M315 HydrophobicContact CG-CE 3.84Å; F220-M315 HydrophobicContact CZ-CE 3.69Å
221S81.3Confident68.9Low96 Ų9682.5 Ų82.567%0.67143%0.432SS*.THydrogen-bonded Turntrans-9910.7175.354.80000113.4D219 P223D219-S221 VanDerWaalsContact C-N 3.26Å; D219-S221 PolarHBondContact O-N 2.77Å; D219-S221 WeakPolarHBondContact OD1-CA 3.44Å; D219-S221 WeakPolarHBondContact OD1-CB 3.36Å; D219-S221 PolarHBondContact OD1-N 3.18Å; D219-S221 PolarHBondContact OD1-OG 3.18Å; S221-P223 WeakPolarHBondContact O-CD 3.31Å
222D75.2Confident67.3Low5 Ų585.4 Ų85.43%0.02744%0.438CS..  trans-57.6121.1175.9-173.4-30.2000111C182 N186 S224 L225C182-D222 HydrophobicContact CB-CB 4.39Å; C182-D222 WeakPolarHBondContact CB-OD2 3.38Å; N186-D222 VanDerWaalsContact ND2-CB 3.33Å; N186-D222 WeakPolarHBondContact ND2-CB 3.38Å; N186-D222 PolarHBondContact ND2-OD2 3.02Å; D222-S224 PolarHBondContact O-N 3.37Å; D222-S224 VanDerWaalsContact O-N 3.09Å; D222-S224 WeakPolarHBondContact OD1-CB 3.27Å; D222-S224 PolarHBondContact OD1-N 3.3Å; D222-S224 PolarHBondContact OD1-OG 3.38Å; D222-S224 PolarHBondContact OD2-OG 2.92Å; D222-L225 HydrophobicContact CB-CD1 3.99Å; D222-L225 HydrophobicContact CB-CG 4.06Å; D222-L225 WeakPolarHBondContact O-CB 3.35Å; D222-L225 PolarHBondContact O-N 3.42Å
223P73.5Confident65.8Low120 Ų12084.9 Ų84.978%0.77944%0.438SS*.THydrogen-bonded Turntrans-59.9-20.6-178.9-24.133.6000114.5S221 L225S221-P223 WeakPolarHBondContact O-CD 3.31Å; P223-L225 PolarHBondContact O-N 3.08Å
224S72.6Confident63.8Low27 Ų2791 Ų9119%0.18947%0.471CS..THydrogen-bonded Turntrans-76.4-11.9177.268.10000113.3D222 Q226 L318D222-S224 PolarHBondContact O-N 3.37Å; D222-S224 VanDerWaalsContact O-N 3.09Å; D222-S224 WeakPolarHBondContact OD1-CB 3.27Å; D222-S224 PolarHBondContact OD1-N 3.3Å; D222-S224 PolarHBondContact OD1-OG 3.38Å; D222-S224 PolarHBondContact OD2-OG 2.92Å; S224-Q226 PolarHBondContact O-N 3.44Å; S224-L318 WeakPolarHBondContact OG-CD2 3.42Å
225L75.2Confident61.4Low31 Ų3197.1 Ų97.116%0.16251%0.505CS..SBendtrans-76.5119.3167.8-59.6172.5000108.4D222 P223 N227 M315 D317 L318D222-L225 HydrophobicContact CB-CD1 3.99Å; D222-L225 HydrophobicContact CB-CG 4.06Å; D222-L225 WeakPolarHBondContact O-CB 3.35Å; D222-L225 PolarHBondContact O-N 3.42Å; P223-L225 PolarHBondContact O-N 3.08Å; L225-N227 PolarHBondContact O-N 2.85Å; L225-M315 HydrophobicContact CD1-SD 4.31Å; L225-M315 HydrophobicContact CD2-CB 3.86Å; L225-M315 HydrophobicContact CD2-CG 4.4Å; L225-M315 HydrophobicContact CD2-SD 4.5Å; L225-D317 HydrophobicContact CD2-CB 4.29Å; L225-L318 HydrophobicContact CD2-CD1 4.21Å; L225-L318 HydrophobicContact CD2-CD2 3.75Å; L225-L318 HydrophobicContact CD2-CG 3.65Å; L225-L318 HydrophobicContact CG-CD2 4.26Å
226Q63.1Low58.7Low137 Ų137103.7 Ų103.764%0.6453%0.534SS*.  trans-66.6132.4173.7-64-17213.100107.1S224 H228 D317S224-Q226 PolarHBondContact O-N 3.44Å; Q226-H228 PolarHBondContact O-N 2.79Å; Q226-D317 PolarHBondContact N-OD2 2.74Å
227N51.7Low55.9Low169 Ų169109.6 Ų109.690%0.90457%0.565SS**  trans-65.471.8169.1-88.1-34.9000108.7L225 D229L225-N227 PolarHBondContact O-N 2.85Å; N227-D229 PolarHBondContact O-N 2.82Å; N227-D229 VanDerWaalsContact O-N 3.09Å
228H41.4Very low52.9Low132 Ų132114 Ų11461%0.61159%0.585SS**  trans-63.9112161.7-86.8-63.7000105.8Q226 R230 D317Q226-H228 PolarHBondContact O-N 2.79Å; H228-R230 PolarHBondContact O-N 3.3Å; H228-D317 IonicContact CD2-OD2 3.52Å
229D35.8Very low50Low130 Ų130119.1 Ų119.170%0.69562%0.619SS**  trans-34.2115.8176.2-91.5-45.1000109.8N227 N231 Q232N227-D229 PolarHBondContact O-N 2.82Å; N227-D229 VanDerWaalsContact O-N 3.09Å; D229-N231 PolarHBondContact O-N 2.95Å; D229-Q232 PolarHBondContact O-N 2.69Å
230R38.5Very low47.6Very low217 Ų217121.9 Ų121.982%0.81965%0.645SS**THydrogen-bonded Turntrans-59.914.4174.6-72.5-178.3170.9-179.7-2.3113.5H228H228-R230 PolarHBondContact O-N 3.3Å
231N31.3Very low45Very low138 Ų138123.2 Ų123.274%0.73865%0.65SS**THydrogen-bonded Turntrans-106.78.6-178.7-73.7-27.9000114.3D229D229-N231 PolarHBondContact O-N 2.95Å
232Q32.2Very low42.4Very low183 Ų183125.1 Ų125.186%0.85565%0.653SS**SBendtrans-124.216.5174.1-82.5-171.61200116.3D229D229-Q232 PolarHBondContact O-N 2.69Å
233T32.6Very low40.2Very low104 Ų104132.6 Ų132.664%0.63869%0.693SS**  trans-128.562.6166.853.80000110.9
234N29.1Very low38.2Very low146 Ų146132.3 Ų132.378%0.78168%0.684SS**SBendtrans-91.8118.2147.3-74.9-30.5000106.3
235D31.4Very low36Very low162 Ų162136.4 Ų136.487%0.86671%0.708SS**SBendtrans95.4-4.6157.4-67.8-26.9000124.5
236E29Very low33.7Very low191 Ų191142.4 Ų142.489%0.89374%0.74SS**SBendtrans-131.57.4-176.6-100.2-179.7171.600120.2
237L31.9Very low31.9Very low125 Ų125146.1 Ų146.165%0.65475%0.754SS**  trans-12767.1172.7-87.3151.9000112.2
238L28.2Very low30.8Very low120 Ų120142.5 Ų142.563%0.62874%0.742SS**  trans-132.176.4161.2-84.4171.6000111A240 K241L238-A240 PolarHBondContact O-N 3Å; L238-K241 HydrophobicContact CD1-CD 4.19Å
239P27.9Very low30.1Very low119 Ų119142.3 Ų142.377%0.77375%0.746SS**THydrogen-bonded Turntrans-90.362.2152.536-26.6000108.6
240A32.9Very low30Very low77 Ų77143.2 Ų143.264%0.63675%0.751SS**THydrogen-bonded Turntrans-140.7-0.9167.900000113.1L238L238-A240 PolarHBondContact O-N 3Å
241K31Very low30.3Very low158 Ų158136.9 Ų136.969%0.68774%0.736SS**SBendtrans-99.3-7.5177.4-78.3-172.7179.5173.50115L238L238-K241 HydrophobicContact CD1-CD 4.19Å
242N26.2Very low30.9Very low136 Ų136133.1 Ų133.173%0.72772%0.715SS**SBendtrans-126.66.4-171.9-85.3-11.4000118.1
243D29.1Very low31.1Very low163 Ų163130 Ų13087%0.87270%0.704SS**SBendtrans-98.628.7173.9-91.7-17.9000114.3
244L31.3Very low31.5Very low114 Ų114128.4 Ų128.460%0.59769%0.691SS**  trans-110.322.3174.9-74.1160.1000113.1
245T25.4Very low32Very low113 Ų113127.7 Ų127.769%0.69369%0.688SS**  trans-115.741179.352.70000113
246N26.7Very low32.6Very low156 Ų156122 Ų12283%0.83466%0.661SS**  trans-105.3100.7159-83.1-26.5000109.9S248N246-S248 VanDerWaalsContact C-N 3.33Å; N246-S248 PolarHBondContact O-N 2.8Å
247K27.1Very low33.3Very low215 Ų215118.7 Ų118.794%0.93564%0.643SS**  trans-66.985.9168.1-75.4176.6171.4176.40109.5
248S26.7Very low33.8Very low93 Ų93116.4 Ų116.465%0.6564%0.643SS**  trans168.9102.7153.651.10000108.6N246N246-S248 VanDerWaalsContact C-N 3.33Å; N246-S248 PolarHBondContact O-N 2.8Å
249D28.6Very low34.6Very low129 Ų129114.5 Ų114.569%0.6963%0.632SS**  trans155.887.5144.1-78.2-6.5000110V251D249-V251 PolarHBondContact O-N 2.84Å; D249-V251 VanDerWaalsContact O-N 3.15Å
250D32.4Very low35.5Very low149 Ų149110.9 Ų110.980%0.79761%0.608SS**THydrogen-bonded Turntrans-73.889-179.2-72.4-40.1000112
251V45.4Very low36.1Very low83 Ų83114 Ų11450%0.50361%0.614SS.*THydrogen-bonded Turntrans-145.1-24.2155178.70000111.8D249D249-V251 PolarHBondContact O-N 2.84Å; D249-V251 VanDerWaalsContact O-N 3.15Å
252L43.6Very low37Very low60 Ų60111.4 Ų111.431%0.31462%0.615SS.*SBendtrans-109.94.5-173-64.7171.9000114.4K333 M336L252-K333 HydrophobicContact CD1-CB 4.05Å; L252-K333 HydrophobicContact CD1-CD 3.77Å; L252-K333 HydrophobicContact CD1-CG 3.74Å; L252-M336 HydrophobicContact CD2-CG 4.38Å; L252-M336 HydrophobicContact CD2-SD 4.2Å
253N36Very low38Very low117 Ų117107.7 Ų107.763%0.62660%0.597SS**  trans-105.453.9-177.9-15429.7000110.3D255N253-D255 PolarHBondContact O-N 3.44Å
254I42.1Very low38.9Very low71 Ų71106.8 Ų106.836%0.36459%0.586SS.*  trans-85.296.8171.6-56.6175.4000107S256I254-S256 PolarHBondContact O-N 3.22Å; I254-S256 PolarHBondContact O-OG 3.22Å; I254-S256 VanDerWaalsContact O-OG 3.06Å
255D39.5Very low39.7Very low131 Ų131106.2 Ų106.270%0.70159%0.589SS**SBendtrans27.418.7149.1-75-32.3000122.3N253 K257N253-D255 PolarHBondContact O-N 3.44Å; D255-K257 PolarHBondContact O-N 3.05Å
256S43.3Very low41.1Very low43 Ų43108 Ų10830%0.30159%0.594SS.*Hα-helixtrans-73.6-16.5179.1-59.70000112.4I254 A258I254-S256 PolarHBondContact O-N 3.22Å; I254-S256 PolarHBondContact O-OG 3.22Å; I254-S256 VanDerWaalsContact O-OG 3.06Å; S256-A258 PolarHBondContact O-N 3.14Å
257K43.6Very low42.9Very low120 Ų120107.6 Ų107.652%0.52259%0.587SS.*Hα-helixtrans-73.1-22.7-178.4-83.5-179176.3175.60113.9D255 N261D255-K257 PolarHBondContact O-N 3.05Å; K257-N261 PolarHBondContact O-ND2 2.93Å
258A43.1Very low45.4Very low78 Ų7899.1 Ų99.165%0.64555%0.552SS**Hα-helixtrans-90.4-33.6-174.400000113.2S256S256-A258 PolarHBondContact O-N 3.14Å
259I45.2Very low48.2Very low80 Ų8098 Ų9841%0.4154%0.541SS..Hα-helixtrans-88.8-34.9-169.7-59.5174.5000112.3S262 I276I259-S262 PolarHBondContact O-OG 3.05Å; I259-S262 VanDerWaalsContact O-OG 3.05Å; I259-I276 HydrophobicContact CG2-CG2 3.95Å
260V46.5Very low51.1Low43 Ų4392.2 Ų92.226%0.26151%0.51SS..G310 helixtrans-80.6-20.7-176.8-172.70000112.7S262 V263V260-S262 PolarHBondContact O-N 2.95Å; V260-V263 PolarHBondContact O-N 2.92Å; V260-V263 VanDerWaalsContact O-O 3.12Å
261N46.3Very low53.8Low142 Ų14287 Ų8776%0.75948%0.479SS*.G310 helixtrans-68-6.4-178.2-82.2-16.3000114.6K257K257-N261 PolarHBondContact O-ND2 2.93Å
262S48.7Very low55.8Low103 Ų10387.7 Ų87.772%0.7248%0.477SS*.G310 helixtrans-88.8-12.117657.90000113.8I259 V260I259-S262 PolarHBondContact O-OG 3.05Å; I259-S262 VanDerWaalsContact O-OG 3.05Å; V260-S262 PolarHBondContact O-N 2.95Å
263V46.6Very low58Low58 Ų5886.5 Ų86.535%0.35247%0.469SS..SBendtrans-123.6132.8-177.8-174.90000109.2V260 Q267 I268V260-V263 PolarHBondContact O-N 2.92Å; V260-V263 VanDerWaalsContact O-O 3.12Å; V263-Q267 HydrophobicContact CG1-CB 4.48Å; V263-I268 HydrophobicContact CG1-CB 4.28Å
264K48.7Very low60.7Low145 Ų14581 Ų8163%0.6344%0.439SS*.  trans-64.4135.2176.2-72.5-176.2177.5-178.10109.1D266 Q267K264-D266 PolarHBondContact O-N 3.48Å; K264-Q267 HydrophobicContact CB-CG 4.35Å; K264-Q267 PolarHBondContact O-N 3.03Å
265P47.4Very low62.9Low102 Ų10280.2 Ų80.266%0.66243%0.434SS*.G310 helixtrans-52.7-33.3-178.4-22.629.6000113.3Q267P265-Q267 PolarHBondContact O-N 3.19Å
266D55.7Low65.1Low150 Ų15077.2 Ų77.280%0.80242%0.417SS*.G310 helixtrans-77.7-1.5-175.7-34.4-27.7000113.4K264K264-D266 PolarHBondContact O-N 3.48Å
267Q64.6Low67.1Low148 Ų14875.4 Ų75.469%0.69240%0.404SS*.G310 helixtrans-113.82.2-176.2-72-169.8-36.600114.2V263 K264 P265V263-Q267 HydrophobicContact CG1-CB 4.48Å; K264-Q267 HydrophobicContact CB-CG 4.35Å; K264-Q267 PolarHBondContact O-N 3.03Å; P265-Q267 PolarHBondContact O-N 3.19Å
268I79.9Confident69.2Low36 Ų3670.5 Ų70.519%0.18538%0.382CS..SBendtrans-126.2130.7-178.9-166169.6000110.5V263 E272 W273 I276V263-I268 HydrophobicContact CG1-CB 4.28Å; I268-E272 HydrophobicContact CD1-CB 3.82Å; I268-E272 HydrophobicContact CG1-CB 3.38Å; I268-E272 HydrophobicContact CG1-CG 4.47Å; I268-W273 HydrophobicContact CD1-CB 4.18Å; I268-W273 HydrophobicContact CG1-CB 4.37Å; I268-W273 HydrophobicContact CG2-CB 4.42Å; I268-I276 HydrophobicContact CD1-CD1 3.51Å
269T85.1Confident71.1Confident70 Ų7069.9 Ų69.943%0.42937%0.373SS..  trans-68.3159.6175630000110.8R271 E272 W273T269-R271 PolarHBondContact O-N 3.06Å; T269-E272 WeakPolarHBondContact CB-OE2 3.46Å; T269-E272 WeakPolarHBondContact CG2-OE2 3.24Å; T269-E272 PolarHBondContact N-OE2 2.97Å; T269-E272 PolarHBondContact O-N 3.39Å; T269-E272 WeakPolarHBondContact OG1-CB 3.45Å; T269-E272 WeakPolarHBondContact OG1-CG 3.37Å; T269-E272 PolarHBondContact OG1-N 3.48Å; T269-E272 PolarHBondContact OG1-OE2 3.31Å; T269-W273 WeakPolarHBondContact O-CB 3.27Å; T269-W273 PolarHBondContact O-N 3.34Å
270L88.6Confident72.5Confident8 Ų868.5 Ų68.54%0.04237%0.371CS..Hα-helixtrans-56.3-39.6174.9175.260.3000111.6L201 Q204 L205 V216 W273 F274 L300 R303L201-L270 HydrophobicContact CD1-CD2 3.71Å; Q204-L270 HydrophobicContact CB-CD2 4.38Å; L205-L270 HydrophobicContact CD2-CD2 4.28Å; L205-L270 HydrophobicContact CD2-CG 3.99Å; V216-L270 HydrophobicContact CG2-CD2 3.51Å; L270-W273 HydrophobicContact CD1-CE3 4.27Å; L270-F274 WeakPolarHBondContact O-CB 3.23Å; L270-F274 PolarHBondContact O-N 3.2Å; L270-L300 HydrophobicContact CD1-CD1 4.31Å; L270-R303 VanDerWaalsContact CD1-NH1 3.28Å
271R89.1Confident73.2Confident39 Ų3968.8 Ų68.815%0.14737%0.37CS..Hα-helixtrans-60.8-55.2176.2178170.8-56.9-178.52.8112.5N203 Q204 L205 G207 T269 W273 F274 H275N203-R271 PolarHBondContact O-NH2 3.3Å; Q204-R271 VanDerWaalsContact O-CZ 3.32Å; Q204-R271 PolarHBondContact O-NE 3.48Å; Q204-R271 PolarHBondContact O-NH2 3.09Å; L205-R271 PolarHBondContact O-NE 2.89Å; G207-R271 VanDerWaalsContact O-CZ 3.27Å; G207-R271 PolarHBondContact O-NH1 3.44Å; G207-R271 VanDerWaalsContact O-NH1 3.09Å; G207-R271 PolarHBondContact O-NH2 3.49Å; T269-R271 PolarHBondContact O-N 3.06Å; R271-W273 VanDerWaalsContact C-N 3.27Å; R271-W273 PolarHBondContact O-N 3.11Å; R271-F274 PolarHBondContact O-N 3.27Å; R271-F274 VanDerWaalsContact O-N 3.08Å; R271-H275 VanDerWaalsContact CG-CD2 3.45Å; R271-H275 WeakPolarHBondContact CG-CD2 3.45Å; R271-H275 PolarHBondContact O-CD2 3.43Å; R271-H275 PolarHBondContact O-N 2.84Å
272E88.2Confident73.5Confident97 Ų9766.5 Ų66.545%0.45336%0.355SS..Hα-helixtrans-59.8-42.2-178.9-72.4162.6149.100110.8I268 T269 F274 H275 I276I268-E272 HydrophobicContact CD1-CB 3.82Å; I268-E272 HydrophobicContact CG1-CB 3.38Å; I268-E272 HydrophobicContact CG1-CG 4.47Å; T269-E272 WeakPolarHBondContact CB-OE2 3.46Å; T269-E272 WeakPolarHBondContact CG2-OE2 3.24Å; T269-E272 PolarHBondContact N-OE2 2.97Å; T269-E272 PolarHBondContact O-N 3.39Å; T269-E272 WeakPolarHBondContact OG1-CB 3.45Å; T269-E272 WeakPolarHBondContact OG1-CG 3.37Å; T269-E272 PolarHBondContact OG1-N 3.48Å; T269-E272 PolarHBondContact OG1-OE2 3.31Å; E272-F274 VanDerWaalsContact C-N 3.32Å; E272-F274 PolarHBondContact O-N 2.89Å; E272-H275 PolarHBondContact O-N 3.45Å; E272-I276 VanDerWaalsContact O-CG1 3.28Å; E272-I276 WeakPolarHBondContact O-CG1 3.45Å; E272-I276 PolarHBondContact O-N 2.85Å
273W90.4Very high73.3Confident36 Ų3668.9 Ų68.914%0.13636%0.36CS..Hα-helixtrans-59.3-43.7174.7175.689.5000112I268 T269 L270 R271 L277 L300 R303I268-W273 HydrophobicContact CD1-CB 4.18Å; I268-W273 HydrophobicContact CG1-CB 4.37Å; I268-W273 HydrophobicContact CG2-CB 4.42Å; T269-W273 WeakPolarHBondContact O-CB 3.27Å; T269-W273 PolarHBondContact O-N 3.34Å; L270-W273 HydrophobicContact CD1-CE3 4.27Å; R271-W273 VanDerWaalsContact C-N 3.27Å; R271-W273 PolarHBondContact O-N 3.11Å; W273-L277 HydrophobicContact CD2-CD1 3.8Å; W273-L277 HydrophobicContact CE3-CD1 4.02Å; W273-L277 HydrophobicContact CH2-CD1 3.43Å; W273-L277 VanDerWaalsContact CH2-CD1 3.43Å; W273-L277 HydrophobicContact CZ2-CD1 3.19Å; W273-L277 HydrophobicContact CZ3-CD1 3.84Å; W273-L277 PolarHBondContact O-N 2.75Å; W273-L300 HydrophobicContact CZ3-CD1 4.16Å; W273-R303 HydrophobicContact CH2-CB 3.7Å; W273-R303 VanDerWaalsContact CH2-CD 3.42Å; W273-R303 HydrophobicContact CH2-CG 4.16Å; W273-R303 HydrophobicContact CZ2-CB 4.34Å; W273-R303 HydrophobicContact CZ3-CB 4.28Å; W273-R303 VanDerWaalsContact CZ3-CD 3.47Å
274F91.9Very high73.2Confident0 Ų072.9 Ų72.90%038%0.379CS..Hα-helixtrans-67-45.1179177.3-117.1000111.8L205 F206 L270 R271 E272 I276 L277 W278 L300 V391 Q395L205-F274 HydrophobicContact CD2-CB 4.04Å; L205-F274 HydrophobicContact CD2-CD1 4.04Å; L205-F274 HydrophobicContact CD2-CG 4.09Å; F206-F274 HydrophobicContact CE1-CE1 4.22Å; L270-F274 WeakPolarHBondContact O-CB 3.23Å; L270-F274 PolarHBondContact O-N 3.2Å; R271-F274 PolarHBondContact O-N 3.27Å; R271-F274 VanDerWaalsContact O-N 3.08Å; E272-F274 VanDerWaalsContact C-N 3.32Å; E272-F274 PolarHBondContact O-N 2.89Å; F274-I276 PolarHBondContact O-N 3.39Å; F274-L277 PolarHBondContact O-N 2.8Å; F274-W278 HydrophobicContact CE1-CE3 4.36Å; F274-W278 HydrophobicContact CE2-CE3 4.01Å; F274-W278 HydrophobicContact CZ-CD2 4.4Å; F274-W278 AromaticContact CZ-CE3 3.56Å; F274-W278 HydrophobicContact CZ-CE3 3.56Å; F274-W278 HydrophobicContact CZ-CZ3 4.04Å; F274-W278 WeakPolarHBondContact O-CB 3.14Å; F274-W278 PolarHBondContact O-N 2.9Å; F274-L300 HydrophobicContact CD2-CB 3.85Å; F274-L300 HydrophobicContact CD2-CD1 4.22Å; F274-L300 HydrophobicContact CD2-CD2 3.97Å; F274-L300 HydrophobicContact CD2-CG 4.22Å; F274-L300 HydrophobicContact CE2-CB 3.84Å; F274-L300 HydrophobicContact CE2-CD2 3.75Å; F274-L300 HydrophobicContact CE2-CG 4.32Å; F274-L300 HydrophobicContact CZ-CD2 4.17Å; F274-V391 HydrophobicContact CE2-CG1 4.16Å; F274-V391 HydrophobicContact CZ-CG1 3.59Å; F274-Q395 HydrophobicContact CE1-CG 4.25Å
275H88.1Confident72.8Confident56 Ų5673.5 Ų73.526%0.25939%0.385SS..Hα-helixtrans-61.2-42.6177.5-85.1-74.9000112.7R271 E272 L277 W278 S279 Q395R271-H275 VanDerWaalsContact CG-CD2 3.45Å; R271-H275 WeakPolarHBondContact CG-CD2 3.45Å; R271-H275 PolarHBondContact O-CD2 3.43Å; R271-H275 PolarHBondContact O-N 2.84Å; E272-H275 PolarHBondContact O-N 3.45Å; H275-L277 VanDerWaalsContact C-N 3.29Å; H275-L277 PolarHBondContact O-N 2.94Å; H275-W278 PolarHBondContact O-N 3.43Å; H275-S279 PolarHBondContact O-N 3.02Å; H275-S279 PolarHBondContact O-OG 3.37Å; H275-Q395 PolarHBondContact CE1-NE2 2.79Å
276I87Confident72Confident68 Ų6873.1 Ų73.135%0.34938%0.384SS..Hα-helixtrans-58.1-45.4177.1-69.8171000110.4I259 I268 E272 F274 S280I259-I276 HydrophobicContact CG2-CG2 3.95Å; I268-I276 HydrophobicContact CD1-CD1 3.51Å; E272-I276 VanDerWaalsContact O-CG1 3.28Å; E272-I276 WeakPolarHBondContact O-CG1 3.45Å; E272-I276 PolarHBondContact O-N 2.85Å; F274-I276 PolarHBondContact O-N 3.39Å; I276-S280 VanDerWaalsContact O-CB 3.3Å; I276-S280 WeakPolarHBondContact O-CB 3.21Å; I276-S280 PolarHBondContact O-N 3.07Å; I276-S280 VanDerWaalsContact O-N 3.09Å; I276-S280 PolarHBondContact O-OG 2.84Å
277L85.2Confident70.8Confident5 Ų573 Ų733%0.02638%0.383CS..Hα-helixtrans-69.6-34.7178.9-72.3174.5000112.9W273 F274 H275 N281W273-L277 HydrophobicContact CD2-CD1 3.8Å; W273-L277 HydrophobicContact CE3-CD1 4.02Å; W273-L277 HydrophobicContact CH2-CD1 3.43Å; W273-L277 VanDerWaalsContact CH2-CD1 3.43Å; W273-L277 HydrophobicContact CZ2-CD1 3.19Å; W273-L277 HydrophobicContact CZ3-CD1 3.84Å; W273-L277 PolarHBondContact O-N 2.75Å; F274-L277 PolarHBondContact O-N 2.8Å; H275-L277 VanDerWaalsContact C-N 3.29Å; H275-L277 PolarHBondContact O-N 2.94Å; L277-N281 PolarHBondContact O-ND2 2.79Å
278W86.8Confident69.4Low17 Ų1773.6 Ų73.66%0.06439%0.39CS..Hα-helixtrans-64.5-55.3176.7-172.9-93.1000111F274 H275 S280 N281 S294 A297 V391 D392 Q395 E399F274-W278 HydrophobicContact CE1-CE3 4.36Å; F274-W278 HydrophobicContact CE2-CE3 4.01Å; F274-W278 HydrophobicContact CZ-CD2 4.4Å; F274-W278 AromaticContact CZ-CE3 3.56Å; F274-W278 HydrophobicContact CZ-CE3 3.56Å; F274-W278 HydrophobicContact CZ-CZ3 4.04Å; F274-W278 WeakPolarHBondContact O-CB 3.14Å; F274-W278 PolarHBondContact O-N 2.9Å; H275-W278 PolarHBondContact O-N 3.43Å; W278-S280 VanDerWaalsContact C-N 3.34Å; W278-S280 PolarHBondContact O-N 3Å; W278-N281 PolarHBondContact O-N 3.36Å; W278-S294 WeakPolarHBondContact CH2-OG 3.27Å; W278-S294 WeakPolarHBondContact CZ3-OG 3.38Å; W278-A297 HydrophobicContact CZ3-CB 4.5Å; W278-V391 HydrophobicContact CZ3-CG1 4.45Å; W278-D392 HydrophobicContact CH2-CB 4.28Å; W278-D392 WeakPolarHBondContact CH2-OD1 3.38Å; W278-D392 VanDerWaalsContact CZ3-OD1 3.31Å; W278-D392 WeakPolarHBondContact CZ3-OD1 3.29Å; W278-Q395 HydrophobicContact CD2-CB 4.43Å; W278-Q395 HydrophobicContact CD2-CG 3.48Å; W278-Q395 VanDerWaalsContact CD2-CG 3.48Å; W278-Q395 HydrophobicContact CE3-CB 4.42Å; W278-Q395 HydrophobicContact CE3-CG 3.88Å; W278-Q395 HydrophobicContact CG-CG 3.97Å; W278-Q395 HydrophobicContact CH2-CB 3.92Å; W278-Q395 HydrophobicContact CH2-CG 3.93Å; W278-Q395 HydrophobicContact CZ2-CB 3.87Å; W278-Q395 HydrophobicContact CZ2-CG 3.49Å; W278-Q395 VanDerWaalsContact CZ2-CG 3.49Å; W278-Q395 HydrophobicContact CZ3-CB 4.14Å; W278-Q395 HydrophobicContact CZ3-CG 4.06Å; W278-E399 PolarHBondContact NE1-OE1 2.88Å
279S83.8Confident67.3Low65 Ų6581 Ų8146%0.45543%0.425SS..Hα-helixtrans-68.3-29.1-177.8-56.40000113.8H275 N281H275-S279 PolarHBondContact O-N 3.02Å; H275-S279 PolarHBondContact O-OG 3.37Å; S279-N281 PolarHBondContact O-N 2.94Å; S279-N281 VanDerWaalsContact O-N 3.15Å
280S73.5Confident65.1Low51 Ų5183.5 Ų83.536%0.35744%0.435SS..THydrogen-bonded Turntrans-65.1-18.3-179.6-63.40000113.4I276 W278I276-S280 VanDerWaalsContact O-CB 3.3Å; I276-S280 WeakPolarHBondContact O-CB 3.21Å; I276-S280 PolarHBondContact O-N 3.07Å; I276-S280 VanDerWaalsContact O-N 3.09Å; I276-S280 PolarHBondContact O-OG 2.84Å; W278-S280 VanDerWaalsContact C-N 3.34Å; W278-S280 PolarHBondContact O-N 3Å
281N61.6Low63.2Low48 Ų4888.1 Ų88.126%0.25747%0.467SS..THydrogen-bonded Turntrans-109-1.6-171.3-69.7-49000114.6L277 W278 S279 N283 S295L277-N281 PolarHBondContact O-ND2 2.79Å; W278-N281 PolarHBondContact O-N 3.36Å; S279-N281 PolarHBondContact O-N 2.94Å; S279-N281 VanDerWaalsContact O-N 3.15Å; N281-N283 PolarHBondContact O-N 3.49Å; N281-S295 WeakPolarHBondContact CB-OG 3.22Å; N281-S295 PolarHBondContact ND2-OG 3.11Å
282E52.7Low62.3Low94 Ų9495.2 Ų95.244%0.43950%0.499SS..G310 helixtrans-68-22.5175.7-73.1-164132.700113.3D284 Q285E282-D284 PolarHBondContact O-N 2.94Å; E282-Q285 PolarHBondContact O-N 3.3Å
283N44.6Very low61.9Low154 Ų15492.2 Ų92.282%0.82449%0.485SS*.G310 helixtrans-72.9-5.8-177.9-76.7-34000115N281N281-N283 PolarHBondContact O-N 3.49Å
284D43.2Very low61.6Low142 Ų14291.8 Ų91.876%0.75949%0.488SS*.G310 helixtrans-100.510.9177-91.2-19.9000114.1E282 S286E282-D284 PolarHBondContact O-N 2.94Å; D284-S286 PolarHBondContact O-N 3.45Å
285Q40.5Very low61.4Low158 Ų15892.8 Ų92.874%0.73850%0.495SS*.  trans-7935.2-179.7-68.6-17210.900115.1E282E282-Q285 PolarHBondContact O-N 3.3Å
286S31.3Very low61.4Low93 Ų9390.2 Ų90.265%0.6548%0.483SS*.  trans-99.4107.516671.70000110.4D284D284-S286 PolarHBondContact O-N 3.45Å
287N30Very low61.7Low148 Ų14887 Ų8779%0.79147%0.467SS*.SBendtrans97.8102.8171.3-50.6-54.8000117.2
288L35.6Very low62.1Low160 Ų16088.1 Ų88.184%0.83847%0.473SS*.  138.1125.4125-145.378.1000114.1N290L288-N290 VanDerWaalsContact C-N 3.31Å; L288-N290 PolarHBondContact O-N 2.86Å
289E34.9Very low62.4Low193 Ų19388.3 Ų88.390%0.90248%0.477SS*.  trans-69.733.1-168.2-66.8175132.500117.7
290N39.9Very low62.9Low122 Ų12285.2 Ų85.265%0.65246%0.455SS*.SBendtrans-131.1109.9175.4-82.9-19.4000111.9L288 K292L288-N290 VanDerWaalsContact C-N 3.31Å; L288-N290 PolarHBondContact O-N 2.86Å; N290-K292 VanDerWaalsContact C-N 3.3Å; N290-K292 PolarHBondContact O-N 3.33Å
291C49.2Very low64Low104 Ų10482.8 Ų82.870%0.70344%0.438SS*.  trans9.556.5159.4-132.60000118.2I293C291-I293 PolarHBondContact O-N 3.3Å
292K69.2Low65.7Low189 Ų18982.3 Ų82.382%0.82243%0.433SS*.PPolyproline II helixtrans-78.7122.8174.3-87.2-175.6175.5179.60109.8N290N290-K292 VanDerWaalsContact C-N 3.3Å; N290-K292 PolarHBondContact O-N 3.33Å
293I79.7Confident67.7Low33 Ų3380.1 Ų80.117%0.16942%0.42CS..PPolyproline II helixtrans-60.7137.3169.9-67.5167.3000108.7C291 A297 I298 L340 L388 D392C291-I293 PolarHBondContact O-N 3.3Å; I293-A297 HydrophobicContact CG2-CB 4.22Å; I293-I298 HydrophobicContact CG2-CD1 4.36Å; I293-I298 HydrophobicContact CG2-CG1 3.96Å; I293-L340 HydrophobicContact CB-CD2 4.45Å; I293-L340 HydrophobicContact CD1-CD2 3.91Å; I293-L388 HydrophobicContact CD1-CB 3.97Å; I293-L388 HydrophobicContact CD1-CD1 3.99Å; I293-L388 HydrophobicContact CG1-CB 4.44Å; I293-L388 HydrophobicContact CG2-CB 3.79Å; I293-L388 HydrophobicContact CG2-CD1 4.27Å; I293-L388 HydrophobicContact CG2-CD2 4.07Å; I293-L388 HydrophobicContact CG2-CG 4.26Å; I293-D392 WeakPolarHBondContact CA-OD2 3.41Å
294S85.4Confident70.2Confident28 Ų2872.8 Ų72.820%0.19638%0.381CS..PPolyproline II helixtrans-65146.818075.80000112.5W278 G296 A297 I298 D392W278-S294 WeakPolarHBondContact CH2-OG 3.27Å; W278-S294 WeakPolarHBondContact CZ3-OG 3.38Å; S294-G296 PolarHBondContact O-N 3.23Å; S294-A297 PolarHBondContact O-N 3.34Å; S294-A297 VanDerWaalsContact OG-CB 3.29Å; S294-A297 WeakPolarHBondContact OG-CB 3.44Å; S294-A297 PolarHBondContact OG-N 3.07Å; S294-I298 WeakPolarHBondContact O-CG1 3.37Å; S294-I298 PolarHBondContact O-N 2.83Å; S294-I298 VanDerWaalsContact O-N 3.17Å; S294-D392 WeakPolarHBondContact CB-OD1 3.44Å; S294-D392 PolarHBondContact N-OD1 3.4Å; S294-D392 PolarHBondContact N-OD2 3.01Å; S294-D392 PolarHBondContact OG-OD1 3.46Å
295S86.2Confident72.8Confident21 Ų2166 Ų6615%0.14735%0.345CS..Hα-helixtrans-63.5-28.317151.40000112.4N281 I298 S299N281-S295 WeakPolarHBondContact CB-OG 3.22Å; N281-S295 PolarHBondContact ND2-OG 3.11Å; S295-I298 PolarHBondContact O-N 3.25Å; S295-S299 WeakPolarHBondContact O-CB 3.33Å; S295-S299 PolarHBondContact O-N 3.27Å; S295-S299 PolarHBondContact O-OG 2.8Å
296G89.2Confident75.5Confident1 Ų160.8 Ų60.81%0.0132%0.32CS..Hα-helixtrans-61-50.4173.100000111.6S294 I298 S299 L300S294-G296 PolarHBondContact O-N 3.23Å; G296-I298 VanDerWaalsContact C-N 3.34Å; G296-I298 PolarHBondContact O-N 2.84Å; G296-S299 PolarHBondContact O-N 3.13Å; G296-L300 WeakPolarHBondContact O-CB 3.01Å; G296-L300 PolarHBondContact O-N 3.11Å
297A92.9Very high78.5Confident0 Ų061.2 Ų61.20%031%0.312CS..Hα-helixtrans-61.6-40.8176.500000112.3W278 I293 S294 L300 S301 L388 V391 D392W278-A297 HydrophobicContact CZ3-CB 4.5Å; I293-A297 HydrophobicContact CG2-CB 4.22Å; S294-A297 PolarHBondContact O-N 3.34Å; S294-A297 VanDerWaalsContact OG-CB 3.29Å; S294-A297 WeakPolarHBondContact OG-CB 3.44Å; S294-A297 PolarHBondContact OG-N 3.07Å; A297-L300 PolarHBondContact O-N 3.23Å; A297-S301 WeakPolarHBondContact O-CB 3.35Å; A297-S301 PolarHBondContact O-N 2.84Å; A297-S301 PolarHBondContact O-OG 3.09Å; A297-L388 VanDerWaalsContact C-CD2 3.45Å; A297-L388 HydrophobicContact CB-CD2 3.92Å; A297-L388 VanDerWaalsContact O-CD2 3.32Å; A297-L388 WeakPolarHBondContact O-CD2 3.41Å; A297-V391 HydrophobicContact CB-CB 4.06Å; A297-V391 HydrophobicContact CB-CG1 3.73Å; A297-D392 WeakPolarHBondContact CB-OD1 3.48Å
298I93.5Very high81.6Confident30 Ų3055.1 Ų55.115%0.15428%0.279CS..Hα-helixtrans-60.5-49.6175.7-65168.9000110.2I293 S294 S295 G296 L300 S301 W302 M336 L340 L388I293-I298 HydrophobicContact CG2-CD1 4.36Å; I293-I298 HydrophobicContact CG2-CG1 3.96Å; S294-I298 WeakPolarHBondContact O-CG1 3.37Å; S294-I298 PolarHBondContact O-N 2.83Å; S294-I298 VanDerWaalsContact O-N 3.17Å; S295-I298 PolarHBondContact O-N 3.25Å; G296-I298 VanDerWaalsContact C-N 3.34Å; G296-I298 PolarHBondContact O-N 2.84Å; I298-L300 PolarHBondContact O-N 3.28Å; I298-S301 PolarHBondContact O-N 2.99Å; I298-S301 PolarHBondContact O-OG 3.09Å; I298-W302 PolarHBondContact O-N 2.72Å; I298-M336 HydrophobicContact CG2-SD 3.95Å; I298-L340 HydrophobicContact CD1-CD1 4.03Å; I298-L340 HydrophobicContact CD1-CD2 3.84Å; I298-L340 HydrophobicContact CG1-CD2 4.03Å; I298-L388 HydrophobicContact CG1-CD2 4.24Å
299S93.2Very high84.5Confident21 Ų2147.5 Ų47.515%0.14724%0.239CC..Hα-helixtrans-62.5-42.1-179-57.80000112.1S295 G296 W302 R303S295-S299 WeakPolarHBondContact O-CB 3.33Å; S295-S299 PolarHBondContact O-N 3.27Å; S295-S299 PolarHBondContact O-OG 2.8Å; G296-S299 PolarHBondContact O-N 3.13Å; S299-W302 PolarHBondContact O-N 2.75Å; S299-R303 PolarHBondContact O-N 3.33Å
300L95Very high87.4Confident0 Ų041.6 Ų41.60%022%0.216CC..Hα-helixtrans-59.7-49.9174.2177.766.1000111.3L205 L270 W273 F274 G296 A297 I298 W302 R303 L304 F387 V391L205-L300 HydrophobicContact CD1-CD1 4.26Å; L205-L300 HydrophobicContact CD1-CD2 3.59Å; L205-L300 HydrophobicContact CD2-CD1 4.14Å; L205-L300 HydrophobicContact CD2-CD2 4.42Å; L270-L300 HydrophobicContact CD1-CD1 4.31Å; W273-L300 HydrophobicContact CZ3-CD1 4.16Å; F274-L300 HydrophobicContact CD2-CB 3.85Å; F274-L300 HydrophobicContact CD2-CD1 4.22Å; F274-L300 HydrophobicContact CD2-CD2 3.97Å; F274-L300 HydrophobicContact CD2-CG 4.22Å; F274-L300 HydrophobicContact CE2-CB 3.84Å; F274-L300 HydrophobicContact CE2-CD2 3.75Å; F274-L300 HydrophobicContact CE2-CG 4.32Å; F274-L300 HydrophobicContact CZ-CD2 4.17Å; G296-L300 WeakPolarHBondContact O-CB 3.01Å; G296-L300 PolarHBondContact O-N 3.11Å; A297-L300 PolarHBondContact O-N 3.23Å; I298-L300 PolarHBondContact O-N 3.28Å; L300-W302 VanDerWaalsContact C-N 3.29Å; L300-W302 PolarHBondContact O-N 3.15Å; L300-R303 WeakPolarHBondContact O-CB 3.32Å; L300-R303 PolarHBondContact O-N 3.08Å; L300-L304 HydrophobicContact CD1-CD1 3.76Å; L300-L304 HydrophobicContact CD1-CG 4.07Å; L300-L304 HydrophobicContact CG-CD1 3.8Å; L300-L304 HydrophobicContact CG-CG 4.44Å; L300-L304 VanDerWaalsContact O-CG 3.31Å; L300-L304 WeakPolarHBondContact O-CG 3.33Å; L300-L304 PolarHBondContact O-N 3.47Å; L300-F387 HydrophobicContact CD2-CZ 4.4Å; L300-V391 HydrophobicContact CD2-CG1 4.06Å; L300-V391 HydrophobicContact CD2-CG2 4.06Å
301S96.2Very high90Very high0 Ų038 Ų380%020%0.199CC..Hα-helixtrans-61.9-37.7-179.8720000112.3A297 I298 F305 M336A297-S301 WeakPolarHBondContact O-CB 3.35Å; A297-S301 PolarHBondContact O-N 2.84Å; A297-S301 PolarHBondContact O-OG 3.09Å; I298-S301 PolarHBondContact O-N 2.99Å; I298-S301 PolarHBondContact O-OG 3.09Å; S301-F305 WeakPolarHBondContact O-CB 3.25Å; S301-F305 WeakPolarHBondContact O-CD2 3.47Å; S301-F305 PolarHBondContact O-N 3.02Å; S301-M336 WeakPolarHBondContact OG-CE 3.47Å
302W96.5Very high92Very high38 Ų3833 Ų3314%0.14417%0.165CC..Hα-helixtrans-70.1-38.7177-164.1-103.1000112.2I298 S299 L300 H306 H307 L331 K333 M336I298-W302 PolarHBondContact O-N 2.72Å; S299-W302 PolarHBondContact O-N 2.75Å; L300-W302 VanDerWaalsContact C-N 3.29Å; L300-W302 PolarHBondContact O-N 3.15Å; W302-H306 HydrophobicContact CD2-CB 3.85Å; W302-H306 AromaticContact CE2-CD2 3.84Å; W302-H306 AromaticContact CE2-CG 3.65Å; W302-H306 HydrophobicContact CE3-CB 4.14Å; W302-H306 HydrophobicContact CG-CB 4.3Å; W302-H306 HydrophobicContact CH2-CB 4.24Å; W302-H306 AromaticContact CH2-CG 3.9Å; W302-H306 AromaticContact CH2-ND1 3.6Å; W302-H306 HydrophobicContact CZ2-CB 3.96Å; W302-H306 AromaticContact CZ2-CD2 3.71Å; W302-H306 AromaticContact CZ2-CE1 3.74Å; W302-H306 AromaticContact CZ2-CG 3.46Å; W302-H306 VanDerWaalsContact CZ2-CG 3.46Å; W302-H306 AromaticContact CZ2-ND1 3.49Å; W302-H306 WeakPolarHBondContact CZ2-ND1 3.47Å; W302-H306 AromaticContact CZ2-NE2 3.86Å; W302-H306 HydrophobicContact CZ3-CB 4.34Å; W302-H306 AromaticContact NE1-CD2 3.82Å; W302-H306 WeakPolarHBondContact O-CA 3.06Å; W302-H306 WeakPolarHBondContact O-CB 3.4Å; W302-H306 PolarHBondContact O-N 3.38Å; W302-H307 AromaticContact CD1-CD2 3.44Å; W302-H307 VanDerWaalsContact CD1-CD2 3.44Å; W302-H307 AromaticContact CD1-NE2 3.29Å; W302-H307 VanDerWaalsContact CD1-NE2 3.29Å; W302-H307 AromaticContact NE1-CD2 3.47Å; W302-H307 PolarHBondContact NE1-CD2 3.35Å; W302-H307 AromaticContact NE1-NE2 3.27Å; W302-H307 PolarHBondContact NE1-NE2 2.83Å; W302-H307 PolarHBondContact O-N 3.43Å; W302-H307 VanDerWaalsContact O-N 3.08Å; W302-L331 HydrophobicContact CE3-CD2 4.35Å; W302-L331 WeakPolarHBondContact CH2-O 3.34Å; W302-L331 HydrophobicContact CZ3-CD2 4.37Å; W302-K333 HydrophobicContact CH2-CB 4.2Å; W302-K333 HydrophobicContact CH2-CG 3.4Å; W302-K333 HydrophobicContact CZ2-CG 3.84Å; W302-K333 HydrophobicContact CZ3-CG 4.3Å; W302-M336 HydrophobicContact CB-SD 4.47Å; W302-M336 HydrophobicContact CD2-SD 4.29Å; W302-M336 HydrophobicContact CE3-CB 4.45Å; W302-M336 HydrophobicContact CE3-CE 3.8Å; W302-M336 HydrophobicContact CE3-SD 3.45Å; W302-M336 HydrophobicContact CZ3-CB 4.16Å; W302-M336 HydrophobicContact CZ3-SD 4.1Å
303R95.4Very high93.2Very high47 Ų4725.6 Ų25.618%0.17714%0.136CC..Iπ-helixtrans-57-57.6172.1175.4179.3174.7172-0.5110.6L270 W273 S299 L300 H307 D308L270-R303 VanDerWaalsContact CD1-NH1 3.28Å; W273-R303 HydrophobicContact CH2-CB 3.7Å; W273-R303 VanDerWaalsContact CH2-CD 3.42Å; W273-R303 HydrophobicContact CH2-CG 4.16Å; W273-R303 HydrophobicContact CZ2-CB 4.34Å; W273-R303 HydrophobicContact CZ3-CB 4.28Å; W273-R303 VanDerWaalsContact CZ3-CD 3.47Å; S299-R303 PolarHBondContact O-N 3.33Å; L300-R303 WeakPolarHBondContact O-CB 3.32Å; L300-R303 PolarHBondContact O-N 3.08Å; R303-H307 WeakPolarHBondContact O-CB 3.39Å; R303-H307 PolarHBondContact O-N 3.06Å; R303-H307 VanDerWaalsContact O-N 3.14Å; R303-D308 PolarHBondContact O-N 2.88Å
304L96.3Very high93.7Very high0 Ų027.9 Ų27.90%016%0.155CC..Iπ-helixtrans-67.3-43.3-171.8-64.2170.4000113.4W197 L201 L300 F387W197-L304 HydrophobicContact CH2-CB 4.31Å; W197-L304 HydrophobicContact CH2-CD1 4.49Å; W197-L304 HydrophobicContact CH2-CD2 4.26Å; W197-L304 HydrophobicContact CZ2-CD2 4.12Å; L201-L304 HydrophobicContact CD1-CD1 3.94Å; L201-L304 HydrophobicContact CD1-CD2 3.78Å; L201-L304 HydrophobicContact CD2-CD1 3.61Å; L201-L304 HydrophobicContact CG-CD1 4.4Å; L300-L304 HydrophobicContact CD1-CD1 3.76Å; L300-L304 HydrophobicContact CD1-CG 4.07Å; L300-L304 HydrophobicContact CG-CD1 3.8Å; L300-L304 HydrophobicContact CG-CG 4.44Å; L300-L304 VanDerWaalsContact O-CG 3.31Å; L300-L304 WeakPolarHBondContact O-CG 3.33Å; L300-L304 PolarHBondContact O-N 3.47Å; L304-F387 HydrophobicContact CD1-CZ 3.93Å
305F98Very high94Very high1 Ų127.2 Ų27.20%0.00415%0.148CC..Iπ-helixtrans-99.9-12.6-170.5-57.1-52.2000113.8W197 S301 I309 L331 L384 F387 A423 I426 L430W197-F305 HydrophobicContact CH2-CE1 4.21Å; W197-F305 HydrophobicContact CZ3-CE1 4.25Å; S301-F305 WeakPolarHBondContact O-CB 3.25Å; S301-F305 WeakPolarHBondContact O-CD2 3.47Å; S301-F305 PolarHBondContact O-N 3.02Å; F305-I309 WeakPolarHBondContact O-CG1 3.38Å; F305-L331 HydrophobicContact CB-CB 3.86Å; F305-L331 HydrophobicContact CB-CD2 3.92Å; F305-L331 HydrophobicContact CB-CG 4.43Å; F305-L331 VanDerWaalsContact O-CB 3.27Å; F305-L331 WeakPolarHBondContact O-CB 3.24Å; F305-L331 PolarHBondContact O-N 3.16Å; F305-L384 HydrophobicContact CD2-CD1 4.25Å; F305-L384 HydrophobicContact CE2-CD1 4.43Å; F305-F387 AromaticContact CE2-CD1 3.87Å; F305-F387 HydrophobicContact CE2-CD1 3.87Å; F305-F387 HydrophobicContact CE2-CD2 4.25Å; F305-F387 AromaticContact CE2-CE1 3.83Å; F305-F387 HydrophobicContact CE2-CE1 3.83Å; F305-F387 HydrophobicContact CE2-CE2 4.2Å; F305-F387 HydrophobicContact CE2-CG 4.08Å; F305-F387 AromaticContact CE2-CZ 3.99Å; F305-F387 HydrophobicContact CE2-CZ 3.99Å; F305-F387 HydrophobicContact CZ-CD2 4.19Å; F305-F387 HydrophobicContact CZ-CE1 4.46Å; F305-F387 HydrophobicContact CZ-CE2 4.05Å; F305-F387 HydrophobicContact CZ-CG 4.46Å; F305-F387 HydrophobicContact CZ-CZ 4.19Å; F305-A423 HydrophobicContact CZ-CB 4.42Å; F305-I426 HydrophobicContact CB-CG2 4.38Å; F305-I426 HydrophobicContact CD1-CB 4.36Å; F305-I426 HydrophobicContact CD1-CG2 3.55Å; F305-I426 HydrophobicContact CD2-CG2 4.12Å; F305-I426 HydrophobicContact CE1-CB 4.06Å; F305-I426 HydrophobicContact CE1-CG2 3.75Å; F305-I426 HydrophobicContact CE2-CD1 4Å; F305-I426 HydrophobicContact CE2-CG2 4.3Å; F305-I426 HydrophobicContact CG-CG2 3.76Å; F305-I426 HydrophobicContact CZ-CB 4.25Å; F305-I426 HydrophobicContact CZ-CD1 4.11Å; F305-I426 HydrophobicContact CZ-CG2 4.14Å; F305-L430 HydrophobicContact CB-CD1 3.87Å; F305-L430 HydrophobicContact CD1-CD1 4.08Å; F305-L430 HydrophobicContact CG-CD1 4.37Å
306H97.8Very high94Very high48 Ų4834.1 Ų34.122%0.22217%0.171CC..Iπ-helixtrans-116.6-63.2173.9-170.993.2000112.1W302 D308 I309 V310 L331W302-H306 HydrophobicContact CD2-CB 3.85Å; W302-H306 AromaticContact CE2-CD2 3.84Å; W302-H306 AromaticContact CE2-CG 3.65Å; W302-H306 HydrophobicContact CE3-CB 4.14Å; W302-H306 HydrophobicContact CG-CB 4.3Å; W302-H306 HydrophobicContact CH2-CB 4.24Å; W302-H306 AromaticContact CH2-CG 3.9Å; W302-H306 AromaticContact CH2-ND1 3.6Å; W302-H306 HydrophobicContact CZ2-CB 3.96Å; W302-H306 AromaticContact CZ2-CD2 3.71Å; W302-H306 AromaticContact CZ2-CE1 3.74Å; W302-H306 AromaticContact CZ2-CG 3.46Å; W302-H306 VanDerWaalsContact CZ2-CG 3.46Å; W302-H306 AromaticContact CZ2-ND1 3.49Å; W302-H306 WeakPolarHBondContact CZ2-ND1 3.47Å; W302-H306 AromaticContact CZ2-NE2 3.86Å; W302-H306 HydrophobicContact CZ3-CB 4.34Å; W302-H306 AromaticContact NE1-CD2 3.82Å; W302-H306 WeakPolarHBondContact O-CA 3.06Å; W302-H306 WeakPolarHBondContact O-CB 3.4Å; W302-H306 PolarHBondContact O-N 3.38Å; H306-D308 PolarHBondContact O-N 2.71Å; H306-I309 PolarHBondContact O-N 3.48Å; H306-V310 VanDerWaalsContact O-CG2 3.29Å; H306-V310 WeakPolarHBondContact O-CG2 3.45Å; H306-V310 PolarHBondContact O-N 2.84Å; H306-L331 HydrophobicContact CB-CB 4.45Å; H306-L331 PolarHBondContact ND1-O 2.96Å
307H95.2Very high93.8Very high102 Ų10236.6 Ų36.647%0.47218%0.184SC..Iπ-helixtrans-64.4-46-171.4-74.9-149.5000112.4W302 R303 I309 V310 T311W302-H307 AromaticContact CD1-CD2 3.44Å; W302-H307 VanDerWaalsContact CD1-CD2 3.44Å; W302-H307 AromaticContact CD1-NE2 3.29Å; W302-H307 VanDerWaalsContact CD1-NE2 3.29Å; W302-H307 AromaticContact NE1-CD2 3.47Å; W302-H307 PolarHBondContact NE1-CD2 3.35Å; W302-H307 AromaticContact NE1-NE2 3.27Å; W302-H307 PolarHBondContact NE1-NE2 2.83Å; W302-H307 PolarHBondContact O-N 3.43Å; W302-H307 VanDerWaalsContact O-N 3.08Å; R303-H307 WeakPolarHBondContact O-CB 3.39Å; R303-H307 PolarHBondContact O-N 3.06Å; R303-H307 VanDerWaalsContact O-N 3.14Å; H307-I309 VanDerWaalsContact C-N 3.3Å; H307-I309 PolarHBondContact O-N 3.49Å; H307-V310 PolarHBondContact O-N 3.3Å; H307-T311 PolarHBondContact O-N 3.08Å; H307-T311 PolarHBondContact O-OG1 3.3Å
308D94.7Very high93.4Very high19 Ų1936.6 Ų36.610%0.10218%0.184CC..Hα-helixtrans-67.6-35.5-179.6-66.5-10.8000110.6P218 R303 H306 T311 L312P218-D308 HydrophobicContact CG-CB 4.04Å; R303-D308 PolarHBondContact O-N 2.88Å; H306-D308 PolarHBondContact O-N 2.71Å; D308-T311 WeakPolarHBondContact O-CB 3.3Å; D308-T311 PolarHBondContact O-N 3.13Å; D308-L312 WeakPolarHBondContact O-CG 3.26Å; D308-L312 PolarHBondContact O-N 3.19Å
309I96.5Very high93Very high1 Ų136.1 Ų36.11%0.00518%0.181CC..Hα-helixtrans-67.9-42.1174.5-54.9-58.7000111.4F305 H306 H307 T311 L312 V313 P328 P330 L430 F431F305-I309 WeakPolarHBondContact O-CG1 3.38Å; H306-I309 PolarHBondContact O-N 3.48Å; H307-I309 VanDerWaalsContact C-N 3.3Å; H307-I309 PolarHBondContact O-N 3.49Å; I309-T311 VanDerWaalsContact C-N 3.25Å; I309-T311 PolarHBondContact O-N 3.21Å; I309-L312 HydrophobicContact CD1-CD1 4.3Å; I309-L312 WeakPolarHBondContact O-CB 3.4Å; I309-L312 PolarHBondContact O-N 3.48Å; I309-V313 HydrophobicContact CG2-CG2 4.5Å; I309-V313 WeakPolarHBondContact O-CG2 3.43Å; I309-V313 PolarHBondContact O-N 3.31Å; I309-P328 HydrophobicContact CG2-CB 3.9Å; I309-P328 HydrophobicContact CG2-CG 4.08Å; I309-P330 HydrophobicContact CB-CB 4.32Å; I309-P330 HydrophobicContact CB-CG 4.4Å; I309-P330 HydrophobicContact CG2-CB 4.21Å; I309-P330 HydrophobicContact CG2-CG 3.94Å; I309-L430 HydrophobicContact CG1-CD1 4.14Å; I309-F431 HydrophobicContact CD1-CE2 3.73Å; I309-F431 HydrophobicContact CD1-CZ 4.14Å
310V95.9Very high92.4Very high68 Ų6838.9 Ų38.941%0.41220%0.197SC..Hα-helixtrans-60-40.2173168.80000110.8H306 H307 V313 S314 P330H306-V310 VanDerWaalsContact O-CG2 3.29Å; H306-V310 WeakPolarHBondContact O-CG2 3.45Å; H306-V310 PolarHBondContact O-N 2.84Å; H307-V310 PolarHBondContact O-N 3.3Å; V310-V313 PolarHBondContact O-N 2.93Å; V310-S314 PolarHBondContact O-N 3.28Å; V310-P330 HydrophobicContact CG2-CB 3.86Å; V310-P330 HydrophobicContact CG2-CG 3.56Å
311T93.6Very high91.5Very high46 Ų4646.6 Ų46.628%0.28224%0.238SC..Hα-helixtrans-62.3-45.2175.8-56.70000110.8P218 F220 H307 D308 I309 S314 M315P218-T311 HydrophobicContact CB-CG2 4.27Å; P218-T311 HydrophobicContact CG-CG2 4.26Å; F220-T311 HydrophobicContact CE1-CG2 4.29Å; F220-T311 HydrophobicContact CE2-CG2 4.35Å; F220-T311 HydrophobicContact CZ-CG2 3.55Å; H307-T311 PolarHBondContact O-N 3.08Å; H307-T311 PolarHBondContact O-OG1 3.3Å; D308-T311 WeakPolarHBondContact O-CB 3.3Å; D308-T311 PolarHBondContact O-N 3.13Å; I309-T311 VanDerWaalsContact C-N 3.25Å; I309-T311 PolarHBondContact O-N 3.21Å; T311-S314 WeakPolarHBondContact O-CB 3.32Å; T311-S314 PolarHBondContact O-N 2.81Å; T311-S314 VanDerWaalsContact O-N 3.16Å; T311-S314 PolarHBondContact O-OG 2.79Å; T311-M315 HydrophobicContact CG2-CE 4.42Å
312L92.1Very high90.3Very high1 Ų150.6 Ų50.61%0.00525%0.253CS..Hα-helixtrans-61.1-46.6175-76.3172000112.3N186 P218 D308 I309 S314 M315 W319 F431N186-L312 HydrophobicContact CB-CD2 3.94Å; N186-L312 WeakPolarHBondContact OD1-CD2 3.29Å; P218-L312 HydrophobicContact CB-CD2 3.76Å; P218-L312 HydrophobicContact CB-CG 4.03Å; P218-L312 HydrophobicContact CG-CD1 4.45Å; P218-L312 HydrophobicContact CG-CD2 4.15Å; P218-L312 HydrophobicContact CG-CG 3.86Å; D308-L312 WeakPolarHBondContact O-CG 3.26Å; D308-L312 PolarHBondContact O-N 3.19Å; I309-L312 HydrophobicContact CD1-CD1 4.3Å; I309-L312 WeakPolarHBondContact O-CB 3.4Å; I309-L312 PolarHBondContact O-N 3.48Å; L312-S314 PolarHBondContact O-N 3.01Å; L312-M315 HydrophobicContact CD2-SD 4.05Å; L312-M315 VanDerWaalsContact O-CB 3.3Å; L312-M315 WeakPolarHBondContact O-CB 3.44Å; L312-M315 PolarHBondContact O-N 3.36Å; L312-W319 HydrophobicContact CB-CZ2 4.15Å; L312-W319 PolarHBondContact O-NE1 2.88Å; L312-F431 HydrophobicContact CD1-CE1 4.42Å; L312-F431 HydrophobicContact CD1-CZ 3.71Å
313V93Very high89.2Confident33 Ų3358.4 Ų58.420%0.229%0.291CS..Hα-helixtrans-56.9-32.4176170.40000111.8I309 V310 M315 E327 P328I309-V313 HydrophobicContact CG2-CG2 4.5Å; I309-V313 WeakPolarHBondContact O-CG2 3.43Å; I309-V313 PolarHBondContact O-N 3.31Å; V310-V313 PolarHBondContact O-N 2.93Å; V313-M315 PolarHBondContact O-N 2.63Å; V313-E327 HydrophobicContact CG1-CG 4.15Å; V313-E327 WeakPolarHBondContact CG1-OE1 3.39Å; V313-E327 HydrophobicContact CG2-CG 3.92Å; V313-P328 HydrophobicContact CG2-CG 3.94Å; V313-P328 VanDerWaalsContact CG2-O 3.3Å; V313-P328 WeakPolarHBondContact CG2-O 3.19Å
314S91.9Very high88Confident81 Ų8161 Ų6157%0.56631%0.309SS*.Hα-helixtrans-67.9-22.317782.50000113.9V310 T311 L312 R316V310-S314 PolarHBondContact O-N 3.28Å; T311-S314 WeakPolarHBondContact O-CB 3.32Å; T311-S314 PolarHBondContact O-N 2.81Å; T311-S314 VanDerWaalsContact O-N 3.16Å; T311-S314 PolarHBondContact O-OG 2.79Å; L312-S314 PolarHBondContact O-N 3.01Å; S314-R316 VanDerWaalsContact C-N 3.28Å; S314-R316 PolarHBondContact O-N 3.02Å
315M90.1Very high87.1Confident13 Ų1363.7 Ų63.76%0.06432%0.319CS..  trans-79.170.8175.7-59.2177.5-179.400110.9P218 F220 L225 T311 L312 V313 D317 L318 W319P218-M315 HydrophobicContact CB-CE 3.7Å; F220-M315 HydrophobicContact CD1-CE 3.5Å; F220-M315 HydrophobicContact CD2-CE 4.07Å; F220-M315 HydrophobicContact CE1-CE 3.42Å; F220-M315 VanDerWaalsContact CE1-CE 3.42Å; F220-M315 HydrophobicContact CE2-CE 4Å; F220-M315 HydrophobicContact CG-CE 3.84Å; F220-M315 HydrophobicContact CZ-CE 3.69Å; L225-M315 HydrophobicContact CD1-SD 4.31Å; L225-M315 HydrophobicContact CD2-CB 3.86Å; L225-M315 HydrophobicContact CD2-CG 4.4Å; L225-M315 HydrophobicContact CD2-SD 4.5Å; T311-M315 HydrophobicContact CG2-CE 4.42Å; L312-M315 HydrophobicContact CD2-SD 4.05Å; L312-M315 VanDerWaalsContact O-CB 3.3Å; L312-M315 WeakPolarHBondContact O-CB 3.44Å; L312-M315 PolarHBondContact O-N 3.36Å; V313-M315 PolarHBondContact O-N 2.63Å; M315-D317 VanDerWaalsContact C-N 3.26Å; M315-D317 PolarHBondContact O-N 2.79Å; M315-D317 VanDerWaalsContact O-N 3.11Å; M315-L318 HydrophobicContact CB-CD1 3.78Å; M315-L318 HydrophobicContact CB-CG 4.06Å; M315-L318 HydrophobicContact CG-CD1 4.48Å; M315-L318 WeakPolarHBondContact O-CB 3.4Å; M315-L318 PolarHBondContact O-N 2.86Å; M315-L318 HydrophobicContact SD-CD1 3.82Å; M315-W319 PolarHBondContact O-NE1 3.48Å
316R87.1Confident86.5Confident166 Ų16671.2 Ų71.263%0.62635%0.347SS*.G310 helixtrans-54.5-34.6-168.8-72.4-171.4178.5176.41.2115.2S314 L318 W319 V320S314-R316 VanDerWaalsContact C-N 3.28Å; S314-R316 PolarHBondContact O-N 3.02Å; R316-L318 PolarHBondContact O-N 2.84Å; R316-L318 VanDerWaalsContact O-N 3.11Å; R316-W319 PolarHBondContact O-N 2.84Å; R316-V320 HydrophobicContact CB-CG2 4.11Å; R316-V320 WeakPolarHBondContact O-CG2 3.4Å; R316-V320 PolarHBondContact O-N 2.86Å
317D84.4Confident86.2Confident54 Ų5473.9 Ų73.929%0.28936%0.359SS..G310 helixtrans-60.1-23.1-179.2-60.8-12.9000112.7L225 Q226 H228 M315 W319L225-D317 HydrophobicContact CD2-CB 4.29Å; Q226-D317 PolarHBondContact N-OD2 2.74Å; H228-D317 IonicContact CD2-OD2 3.52Å; M315-D317 VanDerWaalsContact C-N 3.26Å; M315-D317 PolarHBondContact O-N 2.79Å; M315-D317 VanDerWaalsContact O-N 3.11Å; D317-W319 VanDerWaalsContact C-N 3.33Å
318L84.6Confident86.2Confident0 Ų069.1 Ų69.10%034%0.337CS..G310 helixtrans-74.6-22176-58.5-177.7000113.3N186 T187 S224 L225 M315 R316 R325N186-L318 HydrophobicContact CB-CD1 3.96Å; T187-L318 HydrophobicContact CG2-CB 4.24Å; T187-L318 HydrophobicContact CG2-CD1 4.29Å; T187-L318 HydrophobicContact CG2-CD2 4.26Å; S224-L318 WeakPolarHBondContact OG-CD2 3.42Å; L225-L318 HydrophobicContact CD2-CD1 4.21Å; L225-L318 HydrophobicContact CD2-CD2 3.75Å; L225-L318 HydrophobicContact CD2-CG 3.65Å; L225-L318 HydrophobicContact CG-CD2 4.26Å; M315-L318 HydrophobicContact CB-CD1 3.78Å; M315-L318 HydrophobicContact CB-CG 4.06Å; M315-L318 HydrophobicContact CG-CD1 4.48Å; M315-L318 WeakPolarHBondContact O-CB 3.4Å; M315-L318 PolarHBondContact O-N 2.86Å; M315-L318 HydrophobicContact SD-CD1 3.82Å; R316-L318 PolarHBondContact O-N 2.84Å; R316-L318 VanDerWaalsContact O-N 3.11Å; L318-R325 PolarHBondContact O-NE 3.07Å
319W85.8Confident86.3Confident19 Ų1970.5 Ų70.57%0.07235%0.349CS..THydrogen-bonded Turntrans-121.7-32-166.7-42.6116.7000113.9N186 T187 L312 M315 R316 D317 E327 P328 F431N186-W319 WeakPolarHBondContact O-CH2 3.08Å; T187-W319 HydrophobicContact CG2-CH2 3.89Å; T187-W319 HydrophobicContact CG2-CZ3 4.08Å; L312-W319 HydrophobicContact CB-CZ2 4.15Å; L312-W319 PolarHBondContact O-NE1 2.88Å; M315-W319 PolarHBondContact O-NE1 3.48Å; R316-W319 PolarHBondContact O-N 2.84Å; D317-W319 VanDerWaalsContact C-N 3.33Å; W319-E327 HydrophobicContact CB-CB 4.27Å; W319-E327 HydrophobicContact CB-CG 4.47Å; W319-E327 HydrophobicContact CG-CB 4.38Å; W319-E327 HydrophobicContact CG-CG 4.24Å; W319-P328 HydrophobicContact CH2-CG 4.15Å; W319-P328 HydrophobicContact CZ2-CG 4.07Å; W319-F431 HydrophobicContact CH2-CE1 4.04Å
320V80.9Confident86.4Confident80 Ų8072.4 Ų72.449%0.48536%0.361SS..THydrogen-bonded Turntrans-74.8136.4-178.1177.90000110.1R316 R322R316-V320 HydrophobicContact CB-CG2 4.11Å; R316-V320 WeakPolarHBondContact O-CG2 3.4Å; R316-V320 PolarHBondContact O-N 2.86Å; V320-R322 PolarHBondContact O-N 2.82Å; V320-R322 VanDerWaalsContact O-N 3.15Å
321D74.6Confident86.4Confident161 Ų16169.3 Ų69.386%0.86134%0.342SS*.THydrogen-bonded Turntrans58.122.9179.8-60.4-31.9000115.2
322R71Confident86.5Confident84 Ų8473 Ų7332%0.31736%0.357SS..  trans-101.8113175.5-59.6-58-67.3-116.73.9110.9V320 D324 R325V320-R322 PolarHBondContact O-N 2.82Å; V320-R322 VanDerWaalsContact O-N 3.15Å; R322-D324 WeakPolarHBondContact CB-OD1 3.29Å; R322-D324 IonicContact CZ-OD1 3.65Å; R322-D324 IonicContact CZ-OD2 3.77Å; R322-D324 IonicContact NE-OD1 3.42Å; R322-D324 PolarHBondContact NE-OD1 2.91Å; R322-D324 IonicContact NE-OD2 3.37Å; R322-D324 IonicContact NH2-OD1 3.56Å; R322-D324 IonicContact NH2-OD2 2.93Å; R322-D324 PolarHBondContact NH2-OD2 3.35Å; R322-D324 VanDerWaalsContact NH2-OD2 3.15Å; R322-R325 HydrophobicContact CB-CG 3.79Å; R322-R325 HydrophobicContact CG-CG 4.49Å; R322-R325 VanDerWaalsContact NH2-NH2 3.16Å
323Q74Confident86.5Confident202 Ų20278.7 Ų78.794%0.94438%0.381SS*.SBendtrans-84.7-18.9176.9-65.9-178.19.700112.7R325Q323-R325 VanDerWaalsContact C-N 3.31Å
324D70.7Confident86.6Confident103 Ų10380.9 Ų80.955%0.55140%0.395SS*.SBendtrans-77-15.2-177.856-56.2000113.4R322R322-D324 WeakPolarHBondContact CB-OD1 3.29Å; R322-D324 IonicContact CZ-OD1 3.65Å; R322-D324 IonicContact CZ-OD2 3.77Å; R322-D324 IonicContact NE-OD1 3.42Å; R322-D324 PolarHBondContact NE-OD1 2.91Å; R322-D324 IonicContact NE-OD2 3.37Å; R322-D324 IonicContact NH2-OD1 3.56Å; R322-D324 IonicContact NH2-OD2 2.93Å; R322-D324 PolarHBondContact NH2-OD2 3.35Å; R322-D324 VanDerWaalsContact NH2-OD2 3.15Å
325R76.6Confident86.6Confident56 Ų5678.5 Ų78.521%0.21138%0.377CS..  trans-151.7159-172.853.6-179.5163.3-12330.6113.2L318 R322 Q323L318-R325 PolarHBondContact O-NE 3.07Å; R322-R325 HydrophobicContact CB-CG 3.79Å; R322-R325 HydrophobicContact CG-CG 4.49Å; R322-R325 VanDerWaalsContact NH2-NH2 3.16Å; Q323-R325 VanDerWaalsContact C-N 3.31Å
326R85.1Confident86.7Confident159 Ų15977.9 Ų77.960%0.637%0.374SS*.  trans-111143.7176.7-174178176-169.4-1.9109.8
327E92.2Very high86.9Confident103 Ų10373.3 Ų73.348%0.48136%0.358SS..  trans-55.4131.5170.8-174.3-178.611500110.7V313 W319V313-E327 HydrophobicContact CG1-CG 4.15Å; V313-E327 WeakPolarHBondContact CG1-OE1 3.39Å; V313-E327 HydrophobicContact CG2-CG 3.92Å; W319-E327 HydrophobicContact CB-CB 4.27Å; W319-E327 HydrophobicContact CB-CG 4.47Å; W319-E327 HydrophobicContact CG-CB 4.38Å; W319-E327 HydrophobicContact CG-CG 4.24Å
328P95.7Very high87.2Confident2 Ų273.8 Ų73.81%0.01336%0.361CS..  trans-71.9153-179.129.6-34.5000111.7I309 V313 W319 L430 F431I309-P328 HydrophobicContact CG2-CB 3.9Å; I309-P328 HydrophobicContact CG2-CG 4.08Å; V313-P328 HydrophobicContact CG2-CG 3.94Å; V313-P328 VanDerWaalsContact CG2-O 3.3Å; V313-P328 WeakPolarHBondContact CG2-O 3.19Å; W319-P328 HydrophobicContact CH2-CG 4.15Å; W319-P328 HydrophobicContact CZ2-CG 4.07Å; P328-L430 CarbonylContact C-O 3.53Å; P328-L430 WeakPolarHBondContact CA-O 3.37Å; P328-L430 WeakPolarHBondContact CB-O 3.32Å; P328-F431 HydrophobicContact CB-CD1 3.86Å; P328-F431 HydrophobicContact CB-CD2 4.5Å; P328-F431 HydrophobicContact CB-CE1 3.99Å; P328-F431 HydrophobicContact CB-CG 4.14Å; P328-F431 HydrophobicContact CB-CZ 4.42Å; P328-F431 HydrophobicContact CG-CD1 4.3Å; P328-F431 HydrophobicContact CG-CE1 4.04Å
329S96.4Very high87.4Confident48 Ų4873.9 Ų73.934%0.33636%0.361SS..  trans-105.4120.9177.7-61.40000110.5L430 H432S329-L430 PolarHBondContact N-O 3.45Å; S329-L430 WeakPolarHBondContact O-CB 3.37Å; S329-L430 WeakPolarHBondContact O-CD2 3.48Å; S329-H432 PolarHBondContact OG-CE1 2.71Å; S329-H432 PolarHBondContact OG-NE2 3.05Å
330P97.6Very high87.6Confident41 Ų4175.3 Ų75.327%0.26637%0.37SS..PPolyproline II helixtrans-61.2149.9175.9-21.230.8000112.7I309 V310 E332I309-P330 HydrophobicContact CB-CB 4.32Å; I309-P330 HydrophobicContact CB-CG 4.4Å; I309-P330 HydrophobicContact CG2-CB 4.21Å; I309-P330 HydrophobicContact CG2-CG 3.94Å; V310-P330 HydrophobicContact CG2-CB 3.86Å; V310-P330 HydrophobicContact CG2-CG 3.56Å; P330-E332 PolarHBondContact O-N 2.78Å
331L96.9Very high87.5Confident3 Ų378 Ų782%0.01638%0.378CS..PPolyproline II helixtrans-59.2129.8176.2-175.972.6000111.5W302 F305 H306 T335 M336 T380 L384W302-L331 HydrophobicContact CE3-CD2 4.35Å; W302-L331 WeakPolarHBondContact CH2-O 3.34Å; W302-L331 HydrophobicContact CZ3-CD2 4.37Å; F305-L331 HydrophobicContact CB-CB 3.86Å; F305-L331 HydrophobicContact CB-CD2 3.92Å; F305-L331 HydrophobicContact CB-CG 4.43Å; F305-L331 VanDerWaalsContact O-CB 3.27Å; F305-L331 WeakPolarHBondContact O-CB 3.24Å; F305-L331 PolarHBondContact O-N 3.16Å; H306-L331 HydrophobicContact CB-CB 4.45Å; H306-L331 PolarHBondContact ND1-O 2.96Å; L331-T335 HydrophobicContact CD1-CG2 3.81Å; L331-M336 HydrophobicContact CD2-CE 3.83Å; L331-T380 HydrophobicContact CD1-CG2 4.16Å; L331-L384 HydrophobicContact CD1-CD2 4.48Å; L331-L384 HydrophobicContact CD2-CD1 4.36Å; L331-L384 HydrophobicContact CD2-CD2 3.89Å
332E95Very high87.1Confident125 Ų12574.5 Ų74.558%0.58436%0.355SS*.PPolyproline II helixtrans-81.6148.1-179.6-62.9-173.1175.600113.3P330 T334 T335 M336P330-E332 PolarHBondContact O-N 2.78Å; E332-T334 WeakPolarHBondContact CB-OG1 3.33Å; E332-T334 PolarHBondContact O-N 3.38Å; E332-T334 PolarHBondContact OE2-OG1 3.38Å; E332-T334 VanDerWaalsContact OE2-OG1 3.08Å; E332-T335 WeakPolarHBondContact O-CB 3.4Å; E332-T335 PolarHBondContact O-N 2.98Å; E332-T335 VanDerWaalsContact O-N 3.13Å; E332-M336 PolarHBondContact O-N 3.22Å
333K93.3Very high86.1Confident120 Ų12074.9 Ų74.952%0.52236%0.363SS..Hα-helixtrans-58.5-35.8175.7-71.4-175.9177177.70112.8L252 W302 M336 K337L252-K333 HydrophobicContact CD1-CB 4.05Å; L252-K333 HydrophobicContact CD1-CD 3.77Å; L252-K333 HydrophobicContact CD1-CG 3.74Å; W302-K333 HydrophobicContact CH2-CB 4.2Å; W302-K333 HydrophobicContact CH2-CG 3.4Å; W302-K333 HydrophobicContact CZ2-CG 3.84Å; W302-K333 HydrophobicContact CZ3-CG 4.3Å; K333-M336 PolarHBondContact O-N 2.61Å; K333-K337 WeakPolarHBondContact O-CG 3.49Å; K333-K337 PolarHBondContact O-N 3.19Å
334T93.7Very high84.6Confident79 Ų7969.1 Ų69.149%0.48535%0.345SS..Hα-helixtrans-59.4-45.217646.10000111.3E332 M336 K337 D338E332-T334 WeakPolarHBondContact CB-OG1 3.33Å; E332-T334 PolarHBondContact O-N 3.38Å; E332-T334 PolarHBondContact OE2-OG1 3.38Å; E332-T334 VanDerWaalsContact OE2-OG1 3.08Å; T334-M336 VanDerWaalsContact C-N 3.32Å; T334-M336 PolarHBondContact O-N 3.35Å; T334-K337 PolarHBondContact O-N 3.23Å; T334-D338 WeakPolarHBondContact O-CB 3.41Å; T334-D338 PolarHBondContact O-N 3.22Å
335T93.2Very high82.9Confident31 Ų3166.7 Ų66.719%0.1934%0.344CS..Hα-helixtrans-65.3-37.4179.2-60.90000111.3L331 E332 A339 T380L331-T335 HydrophobicContact CD1-CG2 3.81Å; E332-T335 WeakPolarHBondContact O-CB 3.4Å; E332-T335 PolarHBondContact O-N 2.98Å; E332-T335 VanDerWaalsContact O-N 3.13Å; T335-A339 PolarHBondContact O-N 3.17Å; T335-T380 HydrophobicContact CG2-CG2 4.01Å
336M92.1Very high80.9Confident0 Ų069.5 Ų69.50%037%0.368CS..Hα-helixtrans-66.3-45173.5-174.9147.8-76.600112.2L252 I298 S301 W302 L331 E332 K333 T334 D338 A339 L340 L384L252-M336 HydrophobicContact CD2-CG 4.38Å; L252-M336 HydrophobicContact CD2-SD 4.2Å; I298-M336 HydrophobicContact CG2-SD 3.95Å; S301-M336 WeakPolarHBondContact OG-CE 3.47Å; W302-M336 HydrophobicContact CB-SD 4.47Å; W302-M336 HydrophobicContact CD2-SD 4.29Å; W302-M336 HydrophobicContact CE3-CB 4.45Å; W302-M336 HydrophobicContact CE3-CE 3.8Å; W302-M336 HydrophobicContact CE3-SD 3.45Å; W302-M336 HydrophobicContact CZ3-CB 4.16Å; W302-M336 HydrophobicContact CZ3-SD 4.1Å; L331-M336 HydrophobicContact CD2-CE 3.83Å; E332-M336 PolarHBondContact O-N 3.22Å; K333-M336 PolarHBondContact O-N 2.61Å; T334-M336 VanDerWaalsContact C-N 3.32Å; T334-M336 PolarHBondContact O-N 3.35Å; M336-D338 PolarHBondContact O-N 3.16Å; M336-A339 PolarHBondContact O-N 3.43Å; M336-L340 HydrophobicContact CG-CD1 4.19Å; M336-L340 WeakPolarHBondContact O-CG 3.47Å; M336-L340 PolarHBondContact O-N 2.69Å; M336-L340 VanDerWaalsContact O-N 3.16Å; M336-L384 HydrophobicContact CB-CD2 4.4Å; M336-L384 HydrophobicContact CE-CD1 4.31Å; M336-L384 HydrophobicContact CE-CD2 3.89Å
337K91.2Very high78.6Confident69 Ų6967.7 Ų67.730%0.336%0.364SS..Hα-helixtrans-57.8-47.9174-72.2-176.2178.7-171.80111.4K333 T334 A339 L340 E341K333-K337 WeakPolarHBondContact O-CG 3.49Å; K333-K337 PolarHBondContact O-N 3.19Å; T334-K337 PolarHBondContact O-N 3.23Å; K337-A339 VanDerWaalsContact C-N 3.26Å; K337-A339 PolarHBondContact O-N 2.99Å; K337-L340 PolarHBondContact O-N 3.31Å; K337-L340 VanDerWaalsContact O-N 3.1Å; K337-E341 WeakPolarHBondContact O-CB 3.47Å; K337-E341 WeakPolarHBondContact O-CG 3.29Å; K337-E341 PolarHBondContact O-N 3.05Å
338D89.8Confident75.9Confident65 Ų6568.7 Ų68.735%0.34838%0.377SS..Hα-helixtrans-58-36.4177-85.912.3000113.3T334 M336 K342 R385T334-D338 WeakPolarHBondContact O-CB 3.41Å; T334-D338 PolarHBondContact O-N 3.22Å; M336-D338 PolarHBondContact O-N 3.16Å; D338-K342 PolarHBondContact O-N 3.22Å; D338-R385 PolarHBondContact O-NH2 3.16Å; D338-R385 VanDerWaalsContact O-NH2 3.11Å
339A90.3Very high72.9Confident1 Ų176.3 Ų76.31%0.00841%0.412CS..Hα-helixtrans-67.5-40.3177.600000111.7T335 M336 K337 S381 L384 R385T335-A339 PolarHBondContact O-N 3.17Å; M336-A339 PolarHBondContact O-N 3.43Å; K337-A339 VanDerWaalsContact C-N 3.26Å; K337-A339 PolarHBondContact O-N 2.99Å; A339-S381 WeakPolarHBondContact CB-O 3.49Å; A339-L384 HydrophobicContact CB-CB 4.06Å; A339-L384 HydrophobicContact CB-CD2 3.74Å; A339-L384 HydrophobicContact CB-CG 3.93Å; A339-R385 PolarHBondContact O-NE 3.34Å; A339-R385 PolarHBondContact O-NH2 3.47Å; A339-R385 VanDerWaalsContact O-NH2 3.11Å
340L88.4Confident69.7Low50 Ų5082.9 Ų82.926%0.26244%0.438SS..Hα-helixtrans-80.2-37.4-177.4-63.1175.9000113.7I293 I298 M336 K337 L388I293-L340 HydrophobicContact CB-CD2 4.45Å; I293-L340 HydrophobicContact CD1-CD2 3.91Å; I298-L340 HydrophobicContact CD1-CD1 4.03Å; I298-L340 HydrophobicContact CD1-CD2 3.84Å; I298-L340 HydrophobicContact CG1-CD2 4.03Å; M336-L340 HydrophobicContact CG-CD1 4.19Å; M336-L340 WeakPolarHBondContact O-CG 3.47Å; M336-L340 PolarHBondContact O-N 2.69Å; M336-L340 VanDerWaalsContact O-N 3.16Å; K337-L340 PolarHBondContact O-N 3.31Å; K337-L340 VanDerWaalsContact O-N 3.1Å; L340-L388 HydrophobicContact CD2-CD1 3.95Å
341E80.3Confident66.5Low137 Ų13787.7 Ų87.764%0.6446%0.461SS*.Hα-helixtrans-83.4-31.1-172.4-70.9176.2-172.200113.6K337 D343K337-E341 WeakPolarHBondContact O-CB 3.47Å; K337-E341 WeakPolarHBondContact O-CG 3.29Å; K337-E341 PolarHBondContact O-N 3.05Å; E341-D343 VanDerWaalsContact C-N 3.26Å; E341-D343 PolarHBondContact O-N 3.35Å
342K66.6Low63.3Low87 Ų8792.6 Ų92.638%0.37849%0.493SS..  trans-81.375.6178.1-74.1176.2-177.5171.40110.4D338 S344 R385D338-K342 PolarHBondContact O-N 3.22Å; K342-S344 PolarHBondContact O-N 2.95Å; K342-R385 VanDerWaalsContact CB-NH2 3.33Å; K342-R385 PolarHBondContact O-NE 3.07Å; K342-R385 PolarHBondContact O-NH2 2.92Å
343D49.2Very low60.2Low91 Ų9195.9 Ų95.949%0.48750%0.502SS..  trans-74.1116.5165.9-141.53.3000108E341E341-D343 VanDerWaalsContact C-N 3.26Å; E341-D343 PolarHBondContact O-N 3.35Å
344S42.3Very low57.4Low82 Ų8298.6 Ų98.657%0.57352%0.521SS*.SBendtrans65.191.7176.6-48.90000116.7K342K342-S344 PolarHBondContact O-N 2.95Å
345G36.1Very low54.3Low51 Ų51102 Ų10253%0.52654%0.536SS..  trans46.192.8148.700000119.7
346V33.2Very low51.2Low116 Ų116108.8 Ų108.870%0.70357%0.57SS**  trans-145.6112146.7179.90000108.7
347F37.6Very low48.1Very low121 Ų121114.3 Ų114.353%0.53160%0.604SS.*  trans-67.1134.7159.1-84.6-91.2000108.3Q349 D365F347-Q349 PolarHBondContact O-N 3.1Å; F347-D365 HydrophobicContact CD2-CB 4.35Å
348V35.1Very low45Very low123 Ų123117.6 Ų117.675%0.74563%0.63SS**  trans-74.693171.1178.70000108
349Q32.2Very low42.4Very low162 Ų162122.3 Ų122.376%0.75765%0.654SS**  trans-115.7126.6145-92.9-171.80.600108.3F347 N351F347-Q349 PolarHBondContact O-N 3.1Å; Q349-N351 PolarHBondContact O-N 2.91Å; Q349-N351 VanDerWaalsContact O-N 3.08Å
350Q29.2Very low39.5Very low187 Ų187126.9 Ų126.987%0.87469%0.686SS**  trans-63.9103.1175.1-69.1172.9-13.700109.8
351N30.5Very low36.7Very low141 Ų141132.8 Ų132.875%0.75472%0.717SS**  trans-154.5113.3157.9-134.4-16.9000112.6Q349 Y353Q349-N351 PolarHBondContact O-N 2.91Å; Q349-N351 VanDerWaalsContact O-N 3.08Å; N351-Y353 PolarHBondContact O-N 3.17Å
352P30.7Very low34.2Very low106 Ų106135.1 Ų135.169%0.68873%0.729SS**  trans-95.144-168.437.5-35.3000114.8
353Y29.8Very low32.6Very low194 Ų194136 Ų13676%0.76174%0.737SS**  trans-14590.3175.1-63.8-76.5000112.4N351N351-Y353 PolarHBondContact O-N 3.17Å
354L33.1Very low32Very low178 Ų178136 Ų13693%0.93273%0.733SS**  trans172.9120.3140-94.5147.8000111.3
355N28.8Very low31.8Very low150 Ų150135.4 Ų135.480%0.80272%0.723SS**  trans-100136.9164.3-86.8-23.3000108.3
356L29.4Very low31.9Very low173 Ų173137.7 Ų137.791%0.90673%0.731SS**  -176.4149129-113.7114.2000113.3
357T26.3Very low32.2Very low117 Ų117136 Ų13672%0.71873%0.729SS**  trans-65.6141.1-178.345.40000116
358T27.1Very low32.4Very low138 Ų138132.3 Ų132.385%0.84772%0.718SS**  174.1137.7123-62.80000109.8
359I35.1Very low33.1Very low163 Ų163132.1 Ų132.184%0.83671%0.712SS**  trans-76.4120.1-175.8-65.5159000111
360S27.9Very low34.4Very low97 Ų97129.7 Ų129.768%0.67871%0.712SS**SBendtrans164.2136.9142.638.60000110.8E362S360-E362 VanDerWaalsContact C-N 3.35Å; S360-E362 PolarHBondContact O-N 3.45Å
361D29.5Very low35.9Very low174 Ų174124 Ų12493%0.9369%0.686SS**SBendtrans55.6-0.9165.9-72.8-16.8000123.1
362E29.2Very low38.3Very low187 Ų187123 Ų12387%0.87468%0.68SS**  trans-113.786.3179.1-67.5-170.1172.200113S360S360-E362 VanDerWaalsContact C-N 3.35Å; S360-E362 PolarHBondContact O-N 3.45Å
363L33.1Very low40.7Very low105 Ų105125.3 Ų125.355%0.5568%0.675SS.*  trans-116.838.6174.9-123.9149.6000111.6
364F36.7Very low43.3Very low91 Ų91118.6 Ų118.640%0.39965%0.652SS.*SBendtrans-142.7134.7174.9-75.1-78.9000111.9S366 R373F364-S366 PolarHBondContact O-N 3.47Å; F364-R373 HydrophobicContact CE2-CG 4.22Å; F364-R373 HydrophobicContact CZ-CG 3.94Å
365D37Very low45.9Very low69 Ų69113.2 Ų113.237%0.36962%0.622SS.*  trans-51.2128.8-178.2-145.5-16.9000112.4F347 A367 C368F347-D365 HydrophobicContact CD2-CB 4.35Å; D365-A367 PolarHBondContact O-N 2.91Å; D365-A367 VanDerWaalsContact O-N 3.11Å; D365-C368 PolarHBondContact O-N 3.12Å
366S37.3Very low48.6Very low100 Ų100107.8 Ų107.870%0.69959%0.59SS**THydrogen-bonded Turntrans-67.9-9.4-178.1-155.70000112.8F364F364-S366 PolarHBondContact O-N 3.47Å
367A40.3Very low51.3Low80 Ų80105.8 Ų105.866%0.66157%0.571SS**THydrogen-bonded Turntrans-89.9-5.7173.500000114.5D365D365-A367 PolarHBondContact O-N 2.91Å; D365-A367 VanDerWaalsContact O-N 3.11Å
368C42.4Very low54.3Low44 Ų44102.5 Ų102.530%0.29755%0.549SS..  trans-12332.7179.3-159.50000112.2D365 S370 R376D365-C368 PolarHBondContact O-N 3.12Å; C368-S370 PolarHBondContact O-N 3.08Å; C368-R376 PolarHBondContact O-NH2 3.16Å
369I49.5Very low57.4Low119 Ų11999.2 Ų99.261%0.6153%0.531SS*.THydrogen-bonded Turntrans-75.7-11.6174.5-64.3174.6000111.4E371I369-E371 PolarHBondContact O-N 2.79Å
370S58.9Low60.2Low110 Ų11093.4 Ų93.477%0.76950%0.503SS*.THydrogen-bonded Turntrans-71.9-25.4179.6560000114.3C368C368-S370 PolarHBondContact O-N 3.08Å
371E62.2Low63.4Low68 Ų6889.3 Ų89.332%0.31848%0.475SS..SBendtrans-107.3140.2-175.9-65-175.3168.800111.5I369 Q375I369-E371 PolarHBondContact O-N 2.79Å; E371-Q375 HydrophobicContact CB-CB 4.46Å
372L80.1Confident66.4Low120 Ų12081.5 Ų81.563%0.62844%0.435SS*.  trans-58.6146.9173.2-67.8170.4000109.8D374 Q375 R376L372-D374 PolarHBondContact O-N 3.4Å; L372-Q375 HydrophobicContact CB-CB 4.44Å; L372-Q375 HydrophobicContact CB-CG 4.22Å; L372-Q375 WeakPolarHBondContact O-CA 3.29Å; L372-Q375 WeakPolarHBondContact O-CB 3.41Å; L372-Q375 PolarHBondContact O-N 3.18Å; L372-R376 PolarHBondContact O-N 3.46Å
373R80.7Confident69.6Low154 Ų15472.9 Ų72.958%0.58140%0.395SS*.G310 helixtrans-48.8-41.4-177.6-179.7-179.5172.8-177.6-3.2113.2F364 Q375 R376F364-R373 HydrophobicContact CE2-CG 4.22Å; F364-R373 HydrophobicContact CZ-CG 3.94Å; R373-Q375 VanDerWaalsContact C-N 3.32Å; R373-R376 WeakPolarHBondContact O-CB 3.2Å; R373-R376 PolarHBondContact O-N 3.31Å
374D84.4Confident72.6Confident53 Ų5367.9 Ų67.928%0.28337%0.368SS..G310 helixtrans-76-17.5-178.8-70.7-14.3000114L372 R441 F442L372-D374 PolarHBondContact O-N 3.4Å; D374-R441 HydrophobicContact CB-CB 4.35Å; D374-R441 PolarHBondContact O-N 3.4Å; D374-R441 WeakPolarHBondContact OD1-CD 3.49Å; D374-R441 IonicContact OD1-CZ 3.74Å; D374-R441 IonicContact OD1-NE 3.31Å; D374-R441 IonicContact OD1-NH1 2.7Å; D374-R441 PolarHBondContact OD1-NH1 3.08Å; D374-R441 IonicContact OD2-NH1 3.57Å; D374-R441 PolarHBondContact OD2-NH1 2.99Å; D374-F442 HydrophobicContact CB-CB 4.12Å; D374-F442 PolarHBondContact O-N 2.96Å
375Q87.2Confident75.3Confident65 Ų6565.9 Ų65.930%0.30436%0.358SS..G310 helixtrans-89.3-12.1176.4-67.6177.2-23.500112.4E371 L372 R373 R377 N440 F442E371-Q375 HydrophobicContact CB-CB 4.46Å; L372-Q375 HydrophobicContact CB-CB 4.44Å; L372-Q375 HydrophobicContact CB-CG 4.22Å; L372-Q375 WeakPolarHBondContact O-CA 3.29Å; L372-Q375 WeakPolarHBondContact O-CB 3.41Å; L372-Q375 PolarHBondContact O-N 3.18Å; R373-Q375 VanDerWaalsContact C-N 3.32Å; Q375-R377 PolarHBondContact O-N 3.04Å; Q375-N440 PolarHBondContact O-ND2 2.99Å; Q375-N440 VanDerWaalsContact O-ND2 3.13Å; Q375-F442 HydrophobicContact CG-CB 4.01Å; Q375-F442 HydrophobicContact CG-CG 4.16Å
376R85.6Confident78Confident37 Ų3764.7 Ų64.714%0.1435%0.351CS..  trans-62.4135.8177.5-68.1-179.5174.5144.8-2110.9C368 L372 R373C368-R376 PolarHBondContact O-NH2 3.16Å; L372-R376 PolarHBondContact O-N 3.46Å; R373-R376 WeakPolarHBondContact O-CB 3.2Å; R373-R376 PolarHBondContact O-N 3.31Å
377R87.2Confident80.9Confident131 Ų13160 Ų6049%0.49432%0.318SS..  trans-90.4138.7173.4-56.3178.6-143.2-168.41.9109.3Q375Q375-R377 PolarHBondContact O-N 3.04Å
378L89.7Confident83.5Confident48 Ų4856.1 Ų56.125%0.25129%0.287SS..  trans-121.2156178.6-56.2174.1000110.1W383 I386L378-W383 HydrophobicContact CB-CD2 4.16Å; L378-W383 HydrophobicContact CB-CG 4.29Å; L378-W383 HydrophobicContact CB-CZ2 4.16Å; L378-W383 HydrophobicContact CD1-CD2 4.15Å; L378-W383 HydrophobicContact CD1-CE3 4.12Å; L378-W383 HydrophobicContact CD1-CH2 4.14Å; L378-W383 HydrophobicContact CD1-CZ2 4.18Å; L378-W383 HydrophobicContact CD1-CZ3 4.12Å; L378-W383 HydrophobicContact CG-CZ2 4.13Å; L378-W383 PolarHBondContact O-NE1 2.92Å; L378-I386 HydrophobicContact CD1-CD1 3.43Å; L378-I386 VanDerWaalsContact CD1-CD1 3.43Å
379S92.4Very high86Confident69 Ų6958.2 Ų58.248%0.48329%0.291SS..  trans-64.6162.4167.362.30000110.8S381 G382 W383S379-S381 PolarHBondContact O-N 3.31Å; S379-S381 PolarHBondContact OG-OG 2.95Å; S379-G382 WeakPolarHBondContact O-CA 3.43Å; S379-G382 PolarHBondContact O-N 2.63Å; S379-G382 PolarHBondContact OG-N 3.39Å; S379-G382 VanDerWaalsContact OG-N 3.16Å; S379-W383 PolarHBondContact O-N 2.96Å
380T93.5Very high88.3Confident41 Ų4152.8 Ų52.825%0.25226%0.263SS..Hα-helixtrans-53.9-40.6173.2-47.30000111.9L331 T335 G382 W383 L384 Q429L331-T380 HydrophobicContact CD1-CG2 4.16Å; T335-T380 HydrophobicContact CG2-CG2 4.01Å; T380-G382 VanDerWaalsContact C-N 3.32Å; T380-G382 PolarHBondContact O-N 3.28Å; T380-W383 PolarHBondContact O-N 3.26Å; T380-L384 VanDerWaalsContact O-CB 3.3Å; T380-L384 WeakPolarHBondContact O-CB 3.27Å; T380-L384 PolarHBondContact O-N 3.1Å; T380-Q429 PolarHBondContact OG1-OE1 3.25Å
381S93.9Very high90.1Very high11 Ų1147.5 Ų47.58%0.07723%0.226CC..Hα-helixtrans-65.3-32.1173.852.40000113.5A339 S379 R385A339-S381 WeakPolarHBondContact CB-O 3.49Å; S379-S381 PolarHBondContact O-N 3.31Å; S379-S381 PolarHBondContact OG-OG 2.95Å; S381-R385 PolarHBondContact O-N 2.87Å; S381-R385 VanDerWaalsContact O-N 3.1Å
382G93.2Very high91.6Very high9 Ų945.1 Ų45.19%0.09322%0.216CC..Hα-helixtrans-67.5-46.1173.400000112.3S379 T380 R385 I386S379-G382 WeakPolarHBondContact O-CA 3.43Å; S379-G382 PolarHBondContact O-N 2.63Å; S379-G382 PolarHBondContact OG-N 3.39Å; S379-G382 VanDerWaalsContact OG-N 3.16Å; T380-G382 VanDerWaalsContact C-N 3.32Å; T380-G382 PolarHBondContact O-N 3.28Å; G382-R385 PolarHBondContact O-N 3.06Å; G382-I386 PolarHBondContact O-N 3.27Å
383W95.7Very high92.2Very high7 Ų744 Ų443%0.02721%0.206CC..Hα-helixtrans-64.4-41.3174.3-70118.2000112.2L378 S379 T380 R385 I386 F387 S422 I425 I426 R441L378-W383 HydrophobicContact CB-CD2 4.16Å; L378-W383 HydrophobicContact CB-CG 4.29Å; L378-W383 HydrophobicContact CB-CZ2 4.16Å; L378-W383 HydrophobicContact CD1-CD2 4.15Å; L378-W383 HydrophobicContact CD1-CE3 4.12Å; L378-W383 HydrophobicContact CD1-CH2 4.14Å; L378-W383 HydrophobicContact CD1-CZ2 4.18Å; L378-W383 HydrophobicContact CD1-CZ3 4.12Å; L378-W383 HydrophobicContact CG-CZ2 4.13Å; L378-W383 PolarHBondContact O-NE1 2.92Å; S379-W383 PolarHBondContact O-N 2.96Å; T380-W383 PolarHBondContact O-N 3.26Å; W383-R385 VanDerWaalsContact C-N 3.26Å; W383-R385 PolarHBondContact O-N 3.29Å; W383-I386 HydrophobicContact CE3-CD1 3.9Å; W383-I386 HydrophobicContact CZ3-CD1 3.89Å; W383-I386 WeakPolarHBondContact O-CB 3.45Å; W383-I386 PolarHBondContact O-N 3.02Å; W383-F387 PolarHBondContact O-N 3.38Å; W383-S422 WeakPolarHBondContact O-CB 3.24Å; W383-I425 HydrophobicContact CD2-CB 4.41Å; W383-I425 HydrophobicContact CD2-CD1 3.88Å; W383-I425 HydrophobicContact CD2-CG2 4.23Å; W383-I425 HydrophobicContact CE3-CD1 4Å; W383-I425 HydrophobicContact CG-CB 4.42Å; W383-I425 HydrophobicContact CG-CG2 4Å; W383-I425 HydrophobicContact CH2-CD1 3.63Å; W383-I425 HydrophobicContact CZ2-CD1 3.46Å; W383-I425 VanDerWaalsContact CZ2-CD1 3.46Å; W383-I425 HydrophobicContact CZ3-CD1 3.88Å; W383-I426 HydrophobicContact CB-CD1 4.2Å; W383-I426 HydrophobicContact CB-CG1 3.85Å; W383-R441 HydrophobicContact CH2-CB 4.17Å; W383-R441 HydrophobicContact CZ3-CB 4.47Å
384L96.1Very high92.9Very high0 Ų036.8 Ų36.80%018%0.178CC..Hα-helixtrans-59.7-38.1176.4-17760.6000111.8F305 L331 M336 A339 T380 F387 L388 I426F305-L384 HydrophobicContact CD2-CD1 4.25Å; F305-L384 HydrophobicContact CE2-CD1 4.43Å; L331-L384 HydrophobicContact CD1-CD2 4.48Å; L331-L384 HydrophobicContact CD2-CD1 4.36Å; L331-L384 HydrophobicContact CD2-CD2 3.89Å; M336-L384 HydrophobicContact CB-CD2 4.4Å; M336-L384 HydrophobicContact CE-CD1 4.31Å; M336-L384 HydrophobicContact CE-CD2 3.89Å; A339-L384 HydrophobicContact CB-CB 4.06Å; A339-L384 HydrophobicContact CB-CD2 3.74Å; A339-L384 HydrophobicContact CB-CG 3.93Å; T380-L384 VanDerWaalsContact O-CB 3.3Å; T380-L384 WeakPolarHBondContact O-CB 3.27Å; T380-L384 PolarHBondContact O-N 3.1Å; L384-F387 WeakPolarHBondContact O-CB 3.42Å; L384-F387 PolarHBondContact O-N 3.05Å; L384-L388 HydrophobicContact CD1-CG 4.49Å; L384-L388 HydrophobicContact CG-CD1 4.21Å; L384-L388 VanDerWaalsContact O-CG 3.25Å; L384-L388 WeakPolarHBondContact O-CG 3.26Å; L384-L388 PolarHBondContact O-N 3.4Å; L384-I426 HydrophobicContact CB-CD1 4.2Å; L384-I426 HydrophobicContact CD1-CD1 4.27Å
385R94.3Very high93.3Very high49 Ų4934.2 Ų34.219%0.18517%0.165CC..Hα-helixtrans-64-40.4173.8-171.1-178.1-58.1114.912.3112.6D338 A339 K342 S381 G382 W383 K389D338-R385 PolarHBondContact O-NH2 3.16Å; D338-R385 VanDerWaalsContact O-NH2 3.11Å; A339-R385 PolarHBondContact O-NE 3.34Å; A339-R385 PolarHBondContact O-NH2 3.47Å; A339-R385 VanDerWaalsContact O-NH2 3.11Å; K342-R385 VanDerWaalsContact CB-NH2 3.33Å; K342-R385 PolarHBondContact O-NE 3.07Å; K342-R385 PolarHBondContact O-NH2 2.92Å; S381-R385 PolarHBondContact O-N 2.87Å; S381-R385 VanDerWaalsContact O-N 3.1Å; G382-R385 PolarHBondContact O-N 3.06Å; W383-R385 VanDerWaalsContact C-N 3.26Å; W383-R385 PolarHBondContact O-N 3.29Å; R385-K389 HydrophobicContact CG-CD 4.45Å; R385-K389 WeakPolarHBondContact O-CG 3.23Å; R385-K389 PolarHBondContact O-N 2.97Å; R385-K389 VanDerWaalsContact O-N 3.1Å
386I94.5Very high93.5Very high44 Ų4436.7 Ų36.723%0.22618%0.175CC..Hα-helixtrans-63.3-45.6175.3-66.5177.2000109.8L378 G382 W383 L388 K389 S390 D418L378-I386 HydrophobicContact CD1-CD1 3.43Å; L378-I386 VanDerWaalsContact CD1-CD1 3.43Å; G382-I386 PolarHBondContact O-N 3.27Å; W383-I386 HydrophobicContact CE3-CD1 3.9Å; W383-I386 HydrophobicContact CZ3-CD1 3.89Å; W383-I386 WeakPolarHBondContact O-CB 3.45Å; W383-I386 PolarHBondContact O-N 3.02Å; I386-L388 PolarHBondContact O-N 3.21Å; I386-K389 PolarHBondContact O-N 3.42Å; I386-S390 WeakPolarHBondContact O-CB 3.23Å; I386-S390 PolarHBondContact O-N 3.21Å; I386-S390 PolarHBondContact O-OG 2.96Å; I386-D418 HydrophobicContact CG2-CB 3.76Å
387F97.2Very high93.7Very high0 Ų038.3 Ų38.30%018%0.184CC..Hα-helixtrans-54.7-54.4176.4-179.6-96.7000111.4L201 L300 L304 F305 W383 L384 K389 S390 V391 F419 S422 A423 I426L201-F387 HydrophobicContact CD2-CE2 4.36Å; L300-F387 HydrophobicContact CD2-CZ 4.4Å; L304-F387 HydrophobicContact CD1-CZ 3.93Å; F305-F387 AromaticContact CE2-CD1 3.87Å; F305-F387 HydrophobicContact CE2-CD1 3.87Å; F305-F387 HydrophobicContact CE2-CD2 4.25Å; F305-F387 AromaticContact CE2-CE1 3.83Å; F305-F387 HydrophobicContact CE2-CE1 3.83Å; F305-F387 HydrophobicContact CE2-CE2 4.2Å; F305-F387 HydrophobicContact CE2-CG 4.08Å; F305-F387 AromaticContact CE2-CZ 3.99Å; F305-F387 HydrophobicContact CE2-CZ 3.99Å; F305-F387 HydrophobicContact CZ-CD2 4.19Å; F305-F387 HydrophobicContact CZ-CE1 4.46Å; F305-F387 HydrophobicContact CZ-CE2 4.05Å; F305-F387 HydrophobicContact CZ-CG 4.46Å; F305-F387 HydrophobicContact CZ-CZ 4.19Å; W383-F387 PolarHBondContact O-N 3.38Å; L384-F387 WeakPolarHBondContact O-CB 3.42Å; L384-F387 PolarHBondContact O-N 3.05Å; F387-K389 VanDerWaalsContact C-N 3.35Å; F387-K389 PolarHBondContact O-N 3.27Å; F387-S390 WeakPolarHBondContact CA-OG 3.24Å; F387-S390 PolarHBondContact O-N 3.24Å; F387-S390 VanDerWaalsContact O-N 3.12Å; F387-S390 PolarHBondContact O-OG 2.75Å; F387-V391 HydrophobicContact CD1-CG2 4.21Å; F387-V391 HydrophobicContact CE1-CG2 3.8Å; F387-V391 HydrophobicContact CE2-CG2 4.28Å; F387-V391 HydrophobicContact CZ-CG2 3.84Å; F387-V391 WeakPolarHBondContact O-CG2 3.36Å; F387-V391 PolarHBondContact O-N 2.87Å; F387-F419 HydrophobicContact CD2-CD2 4.24Å; F387-F419 HydrophobicContact CD2-CE2 4.2Å; F387-F419 AromaticContact CE2-CD2 3.92Å; F387-F419 HydrophobicContact CE2-CD2 3.92Å; F387-F419 AromaticContact CE2-CE2 3.43Å; F387-F419 HydrophobicContact CE2-CE2 3.43Å; F387-F419 VanDerWaalsContact CE2-CE2 3.43Å; F387-F419 AromaticContact CE2-CZ 3.98Å; F387-F419 HydrophobicContact CE2-CZ 3.98Å; F387-F419 AromaticContact CZ-CE2 3.92Å; F387-F419 HydrophobicContact CZ-CE2 3.92Å; F387-S422 WeakPolarHBondContact CA-OG 3.49Å; F387-S422 WeakPolarHBondContact CB-OG 3.42Å; F387-S422 PolarHBondContact N-OG 2.85Å; F387-A423 HydrophobicContact CD2-CB 3.96Å; F387-A423 HydrophobicContact CE2-CB 3.9Å; F387-I426 HydrophobicContact CB-CD1 4.22Å
388L95.8Very high93.8Very high0 Ų033.5 Ų33.50%017%0.169CC..Hα-helixtrans-57.1-45.9-179.7-70.5169000112.5I293 A297 I298 L340 L384 I386 S390 V391 D392I293-L388 HydrophobicContact CD1-CB 3.97Å; I293-L388 HydrophobicContact CD1-CD1 3.99Å; I293-L388 HydrophobicContact CG1-CB 4.44Å; I293-L388 HydrophobicContact CG2-CB 3.79Å; I293-L388 HydrophobicContact CG2-CD1 4.27Å; I293-L388 HydrophobicContact CG2-CD2 4.07Å; I293-L388 HydrophobicContact CG2-CG 4.26Å; A297-L388 VanDerWaalsContact C-CD2 3.45Å; A297-L388 HydrophobicContact CB-CD2 3.92Å; A297-L388 VanDerWaalsContact O-CD2 3.32Å; A297-L388 WeakPolarHBondContact O-CD2 3.41Å; I298-L388 HydrophobicContact CG1-CD2 4.24Å; L340-L388 HydrophobicContact CD2-CD1 3.95Å; L384-L388 HydrophobicContact CD1-CG 4.49Å; L384-L388 HydrophobicContact CG-CD1 4.21Å; L384-L388 VanDerWaalsContact O-CG 3.25Å; L384-L388 WeakPolarHBondContact O-CG 3.26Å; L384-L388 PolarHBondContact O-N 3.4Å; I386-L388 PolarHBondContact O-N 3.21Å; L388-S390 PolarHBondContact O-N 3.06Å; L388-V391 PolarHBondContact O-N 3.06Å; L388-D392 PolarHBondContact O-N 3.48Å; L388-D392 VanDerWaalsContact O-N 3.13Å
389K95Very high93.7Very high88 Ų8835.1 Ų35.138%0.38318%0.175SC..Hα-helixtrans-65.4-37.7177.4-72.7-176177.9-168.90112.7R385 I386 F387 K393R385-K389 HydrophobicContact CG-CD 4.45Å; R385-K389 WeakPolarHBondContact O-CG 3.23Å; R385-K389 PolarHBondContact O-N 2.97Å; R385-K389 VanDerWaalsContact O-N 3.1Å; I386-K389 PolarHBondContact O-N 3.42Å; F387-K389 VanDerWaalsContact C-N 3.35Å; F387-K389 PolarHBondContact O-N 3.27Å; K389-K393 WeakPolarHBondContact O-CG 3.34Å; K389-K393 PolarHBondContact O-N 2.84Å
390S96.1Very high93.3Very high4 Ų438.6 Ų38.63%0.02819%0.188CC..Hα-helixtrans-67.5-41.7178.267.30000111.7I386 F387 L388 D392 K393 L394 F419I386-S390 WeakPolarHBondContact O-CB 3.23Å; I386-S390 PolarHBondContact O-N 3.21Å; I386-S390 PolarHBondContact O-OG 2.96Å; F387-S390 WeakPolarHBondContact CA-OG 3.24Å; F387-S390 PolarHBondContact O-N 3.24Å; F387-S390 VanDerWaalsContact O-N 3.12Å; F387-S390 PolarHBondContact O-OG 2.75Å; L388-S390 PolarHBondContact O-N 3.06Å; S390-D392 PolarHBondContact O-N 2.91Å; S390-K393 PolarHBondContact O-N 2.99Å; S390-L394 WeakPolarHBondContact O-CB 3.49Å; S390-L394 VanDerWaalsContact O-CG 3.27Å; S390-L394 WeakPolarHBondContact O-CG 3.3Å; S390-L394 PolarHBondContact O-N 2.85Å; S390-F419 VanDerWaalsContact OG-CA 3.29Å; S390-F419 WeakPolarHBondContact OG-CA 3.33Å; S390-F419 WeakPolarHBondContact OG-CB 3.38Å
391V96.4Very high92.6Very high0 Ų038 Ų380%019%0.19CC..Hα-helixtrans-57.9-48.7174171.30000110.6F206 F274 W278 A297 L300 F387 L388 K393 L394 Q395 F419F206-V391 HydrophobicContact CZ-CG1 4.37Å; F274-V391 HydrophobicContact CE2-CG1 4.16Å; F274-V391 HydrophobicContact CZ-CG1 3.59Å; W278-V391 HydrophobicContact CZ3-CG1 4.45Å; A297-V391 HydrophobicContact CB-CB 4.06Å; A297-V391 HydrophobicContact CB-CG1 3.73Å; L300-V391 HydrophobicContact CD2-CG1 4.06Å; L300-V391 HydrophobicContact CD2-CG2 4.06Å; F387-V391 HydrophobicContact CD1-CG2 4.21Å; F387-V391 HydrophobicContact CE1-CG2 3.8Å; F387-V391 HydrophobicContact CE2-CG2 4.28Å; F387-V391 HydrophobicContact CZ-CG2 3.84Å; F387-V391 WeakPolarHBondContact O-CG2 3.36Å; F387-V391 PolarHBondContact O-N 2.87Å; L388-V391 PolarHBondContact O-N 3.06Å; V391-K393 VanDerWaalsContact C-N 3.28Å; V391-K393 PolarHBondContact O-N 3.29Å; V391-L394 PolarHBondContact O-N 3.48Å; V391-Q395 VanDerWaalsContact O-CB 3.27Å; V391-Q395 WeakPolarHBondContact O-CB 3.37Å; V391-Q395 PolarHBondContact O-N 2.86Å; V391-F419 HydrophobicContact CG2-CD2 3.93Å; V391-F419 HydrophobicContact CG2-CE2 3.72Å
392D93.7Very high91.1Very high18 Ų1845.5 Ų45.510%0.09622%0.224CC..Hα-helixtrans-61.2-37.8-178.5-80.7-9.2000113W278 I293 S294 A297 L388 S390 K396W278-D392 HydrophobicContact CH2-CB 4.28Å; W278-D392 WeakPolarHBondContact CH2-OD1 3.38Å; W278-D392 VanDerWaalsContact CZ3-OD1 3.31Å; W278-D392 WeakPolarHBondContact CZ3-OD1 3.29Å; I293-D392 WeakPolarHBondContact CA-OD2 3.41Å; S294-D392 WeakPolarHBondContact CB-OD1 3.44Å; S294-D392 PolarHBondContact N-OD1 3.4Å; S294-D392 PolarHBondContact N-OD2 3.01Å; S294-D392 PolarHBondContact OG-OD1 3.46Å; A297-D392 WeakPolarHBondContact CB-OD1 3.48Å; L388-D392 PolarHBondContact O-N 3.48Å; L388-D392 VanDerWaalsContact O-N 3.13Å; S390-D392 PolarHBondContact O-N 2.91Å; D392-K396 WeakPolarHBondContact O-CD 3.38Å; D392-K396 VanDerWaalsContact O-CG 3.29Å; D392-K396 WeakPolarHBondContact O-CG 3.27Å; D392-K396 PolarHBondContact O-N 3.25Å
393K94Very high89.5Confident97 Ų9748.2 Ų48.242%0.42225%0.252SS..Hα-helixtrans-75.2-44.9179.5-71.7179.1168.7-169.20112.2K389 S390 V391 Q395 K396 Q397 E415K389-K393 WeakPolarHBondContact O-CG 3.34Å; K389-K393 PolarHBondContact O-N 2.84Å; S390-K393 PolarHBondContact O-N 2.99Å; V391-K393 VanDerWaalsContact C-N 3.28Å; V391-K393 PolarHBondContact O-N 3.29Å; K393-Q395 VanDerWaalsContact C-N 3.32Å; K393-Q395 PolarHBondContact O-N 3.3Å; K393-K396 PolarHBondContact O-N 3Å; K393-Q397 WeakPolarHBondContact O-CG 3.27Å; K393-Q397 PolarHBondContact O-N 3.11Å; K393-E415 HydrophobicContact CB-CG 3.7Å; K393-E415 HydrophobicContact CD-CG 3.48Å; K393-E415 VanDerWaalsContact CD-CG 3.48Å; K393-E415 WeakPolarHBondContact CD-OE1 3.34Å; K393-E415 HydrophobicContact CG-CG 4.3Å; K393-E415 IonicContact NZ-OE1 3.23Å; K393-E415 PolarHBondContact NZ-OE1 2.95Å
394L94.8Very high87.9Confident1 Ų155.1 Ų55.11%0.00529%0.289CS..Hα-helixtrans-63.4-40.7179.2-71.6169.2000111.1F202 F206 S390 V391 K396 Q397 V398 L407 E415 A416 F419F202-L394 HydrophobicContact CD2-CD1 4.17Å; F202-L394 HydrophobicContact CE2-CD1 3.85Å; F202-L394 HydrophobicContact CE2-CD2 3.96Å; F206-L394 HydrophobicContact CD1-CB 4.13Å; F206-L394 HydrophobicContact CD2-CB 4.11Å; F206-L394 HydrophobicContact CD2-CD1 3.92Å; F206-L394 HydrophobicContact CE1-CB 3.99Å; F206-L394 HydrophobicContact CE2-CB 3.96Å; F206-L394 HydrophobicContact CE2-CD1 3.68Å; F206-L394 HydrophobicContact CE2-CG 4.48Å; F206-L394 HydrophobicContact CG-CB 4.19Å; F206-L394 HydrophobicContact CZ-CB 3.91Å; F206-L394 HydrophobicContact CZ-CD1 4.34Å; S390-L394 WeakPolarHBondContact O-CB 3.49Å; S390-L394 VanDerWaalsContact O-CG 3.27Å; S390-L394 WeakPolarHBondContact O-CG 3.3Å; S390-L394 PolarHBondContact O-N 2.85Å; V391-L394 PolarHBondContact O-N 3.48Å; L394-K396 PolarHBondContact O-N 3.3Å; L394-Q397 WeakPolarHBondContact O-CB 3.46Å; L394-Q397 PolarHBondContact O-N 2.91Å; L394-Q397 VanDerWaalsContact O-N 3.17Å; L394-V398 WeakPolarHBondContact O-CG2 3.34Å; L394-V398 PolarHBondContact O-N 3.12Å; L394-L407 HydrophobicContact CB-CD1 4.44Å; L394-L407 HydrophobicContact CD2-CD1 3.89Å; L394-E415 HydrophobicContact CD2-CB 3.86Å; L394-E415 HydrophobicContact CG-CB 4.09Å; L394-A416 HydrophobicContact CD2-CB 4.44Å; L394-F419 HydrophobicContact CD1-CB 3.64Å; L394-F419 HydrophobicContact CD1-CD2 4.05Å; L394-F419 HydrophobicContact CD1-CG 3.88Å
395Q93.1Very high86.8Confident0 Ų061.3 Ų61.30%032%0.316CS..Hα-helixtrans-63.8-41.2177.7-177.353.634.100112.3F206 F274 H275 W278 V391 K393 Q397 V398 E399F206-Q395 HydrophobicContact CE1-CB 4.21Å; F274-Q395 HydrophobicContact CE1-CG 4.25Å; H275-Q395 PolarHBondContact CE1-NE2 2.79Å; W278-Q395 HydrophobicContact CD2-CB 4.43Å; W278-Q395 HydrophobicContact CD2-CG 3.48Å; W278-Q395 VanDerWaalsContact CD2-CG 3.48Å; W278-Q395 HydrophobicContact CE3-CB 4.42Å; W278-Q395 HydrophobicContact CE3-CG 3.88Å; W278-Q395 HydrophobicContact CG-CG 3.97Å; W278-Q395 HydrophobicContact CH2-CB 3.92Å; W278-Q395 HydrophobicContact CH2-CG 3.93Å; W278-Q395 HydrophobicContact CZ2-CB 3.87Å; W278-Q395 HydrophobicContact CZ2-CG 3.49Å; W278-Q395 VanDerWaalsContact CZ2-CG 3.49Å; W278-Q395 HydrophobicContact CZ3-CB 4.14Å; W278-Q395 HydrophobicContact CZ3-CG 4.06Å; V391-Q395 VanDerWaalsContact O-CB 3.27Å; V391-Q395 WeakPolarHBondContact O-CB 3.37Å; V391-Q395 PolarHBondContact O-N 2.86Å; K393-Q395 VanDerWaalsContact C-N 3.32Å; K393-Q395 PolarHBondContact O-N 3.3Å; Q395-Q397 VanDerWaalsContact C-N 3.32Å; Q395-Q397 PolarHBondContact O-N 2.79Å; Q395-V398 WeakPolarHBondContact O-CB 3.42Å; Q395-V398 PolarHBondContact O-N 3.37Å; Q395-E399 PolarHBondContact NE2-OE1 3.33Å; Q395-E399 VanDerWaalsContact NE2-OE1 3.13Å; Q395-E399 WeakPolarHBondContact O-CG 3.45Å; Q395-E399 PolarHBondContact O-N 3.16Å; Q395-E399 VanDerWaalsContact O-N 3.09Å
396K90.6Very high86.4Confident117 Ų11763.9 Ų63.951%0.50933%0.327SS..Hα-helixtrans-63.4-37.5173-72.5173.3-178-179.70112.5D392 K393 L394 V398 E399 D400D392-K396 WeakPolarHBondContact O-CD 3.38Å; D392-K396 VanDerWaalsContact O-CG 3.29Å; D392-K396 WeakPolarHBondContact O-CG 3.27Å; D392-K396 PolarHBondContact O-N 3.25Å; K393-K396 PolarHBondContact O-N 3Å; L394-K396 PolarHBondContact O-N 3.3Å; K396-V398 VanDerWaalsContact C-N 3.29Å; K396-V398 PolarHBondContact O-N 3.28Å; K396-E399 PolarHBondContact O-N 2.78Å; K396-D400 WeakPolarHBondContact O-CB 3.1Å; K396-D400 PolarHBondContact O-N 3.03Å
397Q90.9Very high86.2Confident70 Ų7063.5 Ų63.533%0.32733%0.325SS..Hα-helixtrans-63.2-35.8174.8-71.5174.22.700112.4K393 L394 Q395 G401 L407K393-Q397 WeakPolarHBondContact O-CG 3.27Å; K393-Q397 PolarHBondContact O-N 3.11Å; L394-Q397 WeakPolarHBondContact O-CB 3.46Å; L394-Q397 PolarHBondContact O-N 2.91Å; L394-Q397 VanDerWaalsContact O-N 3.17Å; Q395-Q397 VanDerWaalsContact C-N 3.32Å; Q395-Q397 PolarHBondContact O-N 2.79Å; Q397-G401 PolarHBondContact O-N 3.42Å; Q397-L407 HydrophobicContact CB-CD1 4.25Å; Q397-L407 HydrophobicContact CB-CD2 4.44Å
398V89.6Confident85.9Confident30 Ų3069.9 Ų69.918%0.18236%0.364CS..Hα-helixtrans-65.1-43.9173.3173.50000110.5F206 L394 Q395 K396 G401 L407F206-V398 HydrophobicContact CB-CG2 4.16Å; F206-V398 HydrophobicContact CD1-CG2 4.13Å; L394-V398 WeakPolarHBondContact O-CG2 3.34Å; L394-V398 PolarHBondContact O-N 3.12Å; Q395-V398 WeakPolarHBondContact O-CB 3.42Å; Q395-V398 PolarHBondContact O-N 3.37Å; K396-V398 VanDerWaalsContact C-N 3.29Å; K396-V398 PolarHBondContact O-N 3.28Å; V398-G401 PolarHBondContact O-N 3.49Å; V398-L407 HydrophobicContact CG2-CD1 3.84Å; V398-L407 HydrophobicContact CG2-CD2 4.45Å; V398-L407 HydrophobicContact CG2-CG 3.78Å
399E87.1Confident85.7Confident82 Ų8271.9 Ų71.938%0.38337%0.371SS..Hα-helixtrans-68-36.1-179.5-72.6165.6178.300113.7W278 Q395 K396 G401W278-E399 PolarHBondContact NE1-OE1 2.88Å; Q395-E399 PolarHBondContact NE2-OE1 3.33Å; Q395-E399 VanDerWaalsContact NE2-OE1 3.13Å; Q395-E399 WeakPolarHBondContact O-CG 3.45Å; Q395-E399 PolarHBondContact O-N 3.16Å; Q395-E399 VanDerWaalsContact O-N 3.09Å; K396-E399 PolarHBondContact O-N 2.78Å; E399-G401 PolarHBondContact O-N 3.19Å
400D84.8Confident85.3Confident143 Ų14371.2 Ų71.277%0.76537%0.372SS*.THydrogen-bonded Turntrans-72.4-12.6175.5-72.2-23.1000112.4K396K396-D400 WeakPolarHBondContact O-CB 3.1Å; K396-D400 PolarHBondContact O-N 3.03Å
401G77.3Confident85Confident28 Ų2874.2 Ų74.229%0.28939%0.385SS..SBendtrans-72.7138.517700000112.9Q397 V398 E399 G403Q397-G401 PolarHBondContact O-N 3.42Å; V398-G401 PolarHBondContact O-N 3.49Å; E399-G401 PolarHBondContact O-N 3.19Å; G401-G403 PolarHBondContact O-N 3.36Å
402E62.4Low84.6Confident169 Ų16976.6 Ų76.679%0.7940%0.397SS*.SBendtrans-75.2111.9171.2-70.2-178166.300111.1K405E402-K405 WeakPolarHBondContact O-CD 3.43Å
403G61.1Low84.4Confident66 Ų6678.1 Ų78.168%0.6841%0.405SS*.SBendtrans91.8-166.1173.600000114.6G401 K405G401-G403 PolarHBondContact O-N 3.36Å; G403-K405 PolarHBondContact O-N 3.16Å
404D60.9Low84.3Confident151 Ų15177.8 Ų77.881%0.80741%0.405SS*.SBendtrans-70.950.3169-83.7-25.1000111.1Y406D404-Y406 PolarHBondContact O-N 2.78Å
405K72.5Confident84.3Confident130 Ų13079.1 Ų79.157%0.56541%0.411SS*.  trans-80.9107.8-179.6-101-178.3-178.2164.70109.9E402 G403E402-K405 WeakPolarHBondContact O-CD 3.43Å; G403-K405 PolarHBondContact O-N 3.16Å
406Y86.3Confident84.5Confident103 Ų10379.2 Ų79.240%0.40441%0.412SS..PPolyproline II helixtrans-68.1145.4168.4-53.5-53.1000111.4G207 Q208 D404G207-Y406 WeakPolarHBondContact O-CD1 3.4Å; Q208-Y406 HydrophobicContact CB-CD2 3.74Å; Q208-Y406 HydrophobicContact CB-CE2 4.21Å; Q208-Y406 HydrophobicContact CB-CG 4.04Å; Q208-Y406 HydrophobicContact CG-CD2 4.06Å; Q208-Y406 HydrophobicContact CG-CE2 4.04Å; D404-Y406 PolarHBondContact O-N 2.78Å
407L91.4Very high84.8Confident36 Ų3673.6 Ų73.619%0.18839%0.388CS..PPolyproline II helixtrans-78.5141.6167-59-174.6000110F202 F206 G207 L394 Q397 V398F202-L407 HydrophobicContact CE1-CB 4.3Å; F202-L407 HydrophobicContact CZ-CB 4.01Å; F206-L407 HydrophobicContact CB-CB 4.29Å; F206-L407 HydrophobicContact CB-CD1 4.03Å; F206-L407 HydrophobicContact CB-CG 4.31Å; F206-L407 PolarHBondContact O-N 2.92Å; G207-L407 WeakPolarHBondContact CA-O 3.33Å; L394-L407 HydrophobicContact CB-CD1 4.44Å; L394-L407 HydrophobicContact CD2-CD1 3.89Å; Q397-L407 HydrophobicContact CB-CD1 4.25Å; Q397-L407 HydrophobicContact CB-CD2 4.44Å; V398-L407 HydrophobicContact CG2-CD1 3.84Å; V398-L407 HydrophobicContact CG2-CD2 4.45Å; V398-L407 HydrophobicContact CG2-CG 3.78Å
408V89.3Confident85Confident134 Ų13471.5 Ų71.581%0.81238%0.379SS*.PPolyproline II helixtrans-97.4128.5170.2179.10000107.8D410V408-D410 PolarHBondContact O-N 3.15Å
409W91.9Very high85.4Confident42 Ų4270.1 Ų70.116%0.15937%0.37CS..PPolyproline II helixtrans-64.5123.7177.1-176.580.9000110.7F202 K411 M417 A448F202-W409 HydrophobicContact CD1-CB 3.7Å; F202-W409 AromaticContact CD1-CD1 3.98Å; F202-W409 HydrophobicContact CD1-CG 4.24Å; F202-W409 AromaticContact CD2-CD1 3.95Å; F202-W409 HydrophobicContact CE1-CB 3.62Å; F202-W409 HydrophobicContact CE1-CG 4.36Å; F202-W409 HydrophobicContact CG-CB 4.44Å; F202-W409 AromaticContact CG-CD1 3.86Å; F202-W409 HydrophobicContact CZ-CB 4.27Å; W409-K411 HydrophobicContact CH2-CB 3.61Å; W409-K411 HydrophobicContact CZ2-CB 4.15Å; W409-K411 HydrophobicContact CZ3-CB 4.12Å; W409-M417 HydrophobicContact CZ2-SD 4.13Å; W409-A448 HydrophobicContact CH2-CB 3.77Å; W409-A448 VanDerWaalsContact CH2-O 3.29Å; W409-A448 WeakPolarHBondContact CH2-O 3.47Å; W409-A448 HydrophobicContact CZ2-CB 3.74Å
410D87.8Confident86Confident74 Ų7466.2 Ų66.240%0.39635%0.352SS..  trans-124.8132.1171.8-171.6-2.7000110V408 D412 D413V408-D410 PolarHBondContact O-N 3.15Å; D410-D412 PolarHBondContact O-N 3.05Å; D410-D412 PolarHBondContact OD1-N 3.5Å; D410-D413 HydrophobicContact CB-CB 4.12Å; D410-D413 PolarHBondContact O-N 3.15Å
411K89.2Confident86.6Confident68 Ų6859.4 Ų59.430%0.29632%0.316SS..SBendtrans-65.8-22.4175.873.3-161.5176.4-48.30112.5W409 K445W409-K411 HydrophobicContact CH2-CB 3.61Å; W409-K411 HydrophobicContact CZ2-CB 4.15Å; W409-K411 HydrophobicContact CZ3-CB 4.12Å; K411-K445 VanDerWaalsContact O-CE 3.23Å; K411-K445 WeakPolarHBondContact O-CE 3.44Å; K411-K445 PolarHBondContact O-NZ 3.41Å
412D87.1Confident87.6Confident50 Ų5058 Ų5827%0.26730%0.302SS..SBendtrans-94-12.9-178.6-62.4-46.6000112.4D410 K445D410-D412 PolarHBondContact O-N 3.05Å; D410-D412 PolarHBondContact OD1-N 3.5Å; D412-K445 IonicContact OD1-NZ 3.55Å; D412-K445 PolarHBondContact OD1-NZ 3Å
413D90.8Very high89.3Confident49 Ų4950 Ų5026%0.26226%0.264SS..SBendtrans-70.6130.3164.1-179.1-100.8000110.8D410 E415 A416 M417D410-D413 HydrophobicContact CB-CB 4.12Å; D410-D413 PolarHBondContact O-N 3.15Å; D413-E415 PolarHBondContact OD1-N 2.91Å; D413-A416 HydrophobicContact CB-CB 4.06Å; D413-A416 WeakPolarHBondContact OD1-CB 3.44Å; D413-A416 PolarHBondContact OD1-N 2.8Å; D413-M417 VanDerWaalsContact O-CB 3.23Å; D413-M417 WeakPolarHBondContact O-CB 3.16Å; D413-M417 PolarHBondContact O-N 3.45Å
414Q92.2Very high91Very high90 Ų9046.9 Ų46.942%0.42123%0.232SC..Hα-helixtrans-71-46.4-172.1-179.2174.2-12.200111.1D418Q414-D418 WeakPolarHBondContact O-CB 3.29Å; Q414-D418 VanDerWaalsContact O-CG 3.23Å; Q414-D418 PolarHBondContact O-N 3.26Å
415E95.1Very high92.8Very high29 Ų2939.7 Ų39.714%0.13619%0.193CC..Hα-helixtrans-66.7-46.1-177.3-77.565.4-151.500112.4K393 L394 D413 M417 D418 F419K393-E415 HydrophobicContact CB-CG 3.7Å; K393-E415 HydrophobicContact CD-CG 3.48Å; K393-E415 VanDerWaalsContact CD-CG 3.48Å; K393-E415 WeakPolarHBondContact CD-OE1 3.34Å; K393-E415 HydrophobicContact CG-CG 4.3Å; K393-E415 IonicContact NZ-OE1 3.23Å; K393-E415 PolarHBondContact NZ-OE1 2.95Å; L394-E415 HydrophobicContact CD2-CB 3.86Å; L394-E415 HydrophobicContact CG-CB 4.09Å; D413-E415 PolarHBondContact OD1-N 2.91Å; E415-M417 PolarHBondContact O-N 3.05Å; E415-D418 PolarHBondContact O-N 3.16Å; E415-F419 WeakPolarHBondContact O-CB 3.35Å; E415-F419 PolarHBondContact O-N 2.86Å
416A96.1Very high94Very high2 Ų233.5 Ų33.52%0.01717%0.166CC..Hα-helixtrans-64.1-39.2177.200000111.9F202 L394 D413 V420F202-A416 HydrophobicContact CD2-CB 4.36Å; F202-A416 HydrophobicContact CE2-CB 3.57Å; F202-A416 HydrophobicContact CZ-CB 4.02Å; L394-A416 HydrophobicContact CD2-CB 4.44Å; D413-A416 HydrophobicContact CB-CB 4.06Å; D413-A416 WeakPolarHBondContact OD1-CB 3.44Å; D413-A416 PolarHBondContact OD1-N 2.8Å; A416-V420 PolarHBondContact O-N 3.47Å
417M96.3Very high94.6Very high0 Ų028.8 Ų28.80%015%0.148CC..Hα-helixtrans-72.4-37.4176-169.567.5-115.100112.2W409 D413 E415 F419 V420 A421 I444 K445 A448W409-M417 HydrophobicContact CZ2-SD 4.13Å; D413-M417 VanDerWaalsContact O-CB 3.23Å; D413-M417 WeakPolarHBondContact O-CB 3.16Å; D413-M417 PolarHBondContact O-N 3.45Å; E415-M417 PolarHBondContact O-N 3.05Å; M417-F419 VanDerWaalsContact C-N 3.32Å; M417-V420 HydrophobicContact CE-CB 4.31Å; M417-V420 HydrophobicContact CE-CG1 4.22Å; M417-V420 PolarHBondContact O-N 2.92Å; M417-A421 HydrophobicContact CE-CB 4.11Å; M417-A421 WeakPolarHBondContact O-CB 3.46Å; M417-A421 PolarHBondContact O-N 3.37Å; M417-I444 HydrophobicContact CE-CB 4.42Å; M417-I444 HydrophobicContact CE-CG2 3.87Å; M417-K445 VanDerWaalsContact CE-CA 3.47Å; M417-K445 HydrophobicContact CE-CB 3.89Å; M417-K445 HydrophobicContact CG-CB 4.18Å; M417-K445 HydrophobicContact CG-CD 4.09Å; M417-K445 HydrophobicContact CG-CG 4.25Å; M417-K445 HydrophobicContact SD-CB 3.66Å; M417-K445 HydrophobicContact SD-CD 4.19Å; M417-K445 HydrophobicContact SD-CG 3.73Å; M417-A448 HydrophobicContact CE-CB 4.13Å
418D96.8Very high94.9Very high26 Ų2627 Ų2714%0.13914%0.139CC..Hα-helixtrans-62.9-40.4174-79.9-3.3000111.2I386 Q414 E415 S422 R441I386-D418 HydrophobicContact CG2-CB 3.76Å; Q414-D418 WeakPolarHBondContact O-CB 3.29Å; Q414-D418 VanDerWaalsContact O-CG 3.23Å; Q414-D418 PolarHBondContact O-N 3.26Å; E415-D418 PolarHBondContact O-N 3.16Å; D418-S422 VanDerWaalsContact O-CB 3.29Å; D418-S422 WeakPolarHBondContact O-CB 3.35Å; D418-S422 PolarHBondContact O-N 2.97Å; D418-S422 PolarHBondContact O-OG 3.31Å; D418-R441 WeakPolarHBondContact OD1-CD 3.46Å; D418-R441 IonicContact OD1-CZ 2.98Å; D418-R441 IonicContact OD1-NE 3.72Å; D418-R441 PolarHBondContact OD1-NE 2.67Å; D418-R441 IonicContact OD1-NH2 3.81Å; D418-R441 PolarHBondContact OD1-NH2 3.31Å
419F98.2Very high95.2Very high0 Ų022.6 Ų22.60%011%0.109CC..Hα-helixtrans-60.1-55.4174.1178.9-91.4000111.6L201 F202 L205 F206 F387 S390 V391 L394 E415 M417 A421 S422 A423L201-F419 HydrophobicContact CB-CE1 4.41Å; L201-F419 HydrophobicContact CB-CZ 4.46Å; L201-F419 HydrophobicContact CD2-CE1 4.15Å; L201-F419 HydrophobicContact CD2-CZ 3.59Å; L201-F419 HydrophobicContact CG-CE1 4.21Å; L201-F419 HydrophobicContact CG-CZ 3.77Å; F202-F419 HydrophobicContact CB-CD1 3.95Å; F202-F419 HydrophobicContact CB-CE1 3.72Å; F202-F419 AromaticContact CD2-CD1 3.83Å; F202-F419 HydrophobicContact CD2-CD1 3.83Å; F202-F419 HydrophobicContact CD2-CE1 4.3Å; F202-F419 HydrophobicContact CD2-CG 4.41Å; F202-F419 HydrophobicContact CG-CD1 4.4Å; L205-F419 HydrophobicContact CD1-CE2 4.31Å; L205-F419 HydrophobicContact CD1-CZ 3.97Å; F206-F419 HydrophobicContact CE2-CD2 4.04Å; F206-F419 AromaticContact CE2-CE2 3.75Å; F206-F419 HydrophobicContact CE2-CE2 3.75Å; F206-F419 HydrophobicContact CE2-CZ 4.02Å; F206-F419 HydrophobicContact CZ-CE2 4.38Å; F387-F419 HydrophobicContact CD2-CD2 4.24Å; F387-F419 HydrophobicContact CD2-CE2 4.2Å; F387-F419 AromaticContact CE2-CD2 3.92Å; F387-F419 HydrophobicContact CE2-CD2 3.92Å; F387-F419 AromaticContact CE2-CE2 3.43Å; F387-F419 HydrophobicContact CE2-CE2 3.43Å; F387-F419 VanDerWaalsContact CE2-CE2 3.43Å; F387-F419 AromaticContact CE2-CZ 3.98Å; F387-F419 HydrophobicContact CE2-CZ 3.98Å; F387-F419 AromaticContact CZ-CE2 3.92Å; F387-F419 HydrophobicContact CZ-CE2 3.92Å; S390-F419 VanDerWaalsContact OG-CA 3.29Å; S390-F419 WeakPolarHBondContact OG-CA 3.33Å; S390-F419 WeakPolarHBondContact OG-CB 3.38Å; V391-F419 HydrophobicContact CG2-CD2 3.93Å; V391-F419 HydrophobicContact CG2-CE2 3.72Å; L394-F419 HydrophobicContact CD1-CB 3.64Å; L394-F419 HydrophobicContact CD1-CD2 4.05Å; L394-F419 HydrophobicContact CD1-CG 3.88Å; E415-F419 WeakPolarHBondContact O-CB 3.35Å; E415-F419 PolarHBondContact O-N 2.86Å; M417-F419 VanDerWaalsContact C-N 3.32Å; F419-A421 PolarHBondContact O-N 3.24Å; F419-S422 PolarHBondContact O-N 2.78Å; F419-S422 PolarHBondContact O-OG 2.9Å; F419-S422 VanDerWaalsContact O-OG 3.13Å; F419-A423 VanDerWaalsContact O-CB 3.25Å; F419-A423 WeakPolarHBondContact O-CB 3.44Å; F419-A423 PolarHBondContact O-N 3.42Å
420V98Very high95.5Very high0 Ų021.2 Ų21.20%011%0.105CC..Hα-helixtrans-63.2-43.5-179.2169.50000111.2V195 A198 K199 A416 M417 S424 I444 A448V195-V420 HydrophobicContact CG1-CG1 4.43Å; A198-V420 HydrophobicContact CB-CG1 4.12Å; K199-V420 HydrophobicContact CG-CG1 4.19Å; K199-V420 HydrophobicContact CG-CG2 4.17Å; A416-V420 PolarHBondContact O-N 3.47Å; M417-V420 HydrophobicContact CE-CB 4.31Å; M417-V420 HydrophobicContact CE-CG1 4.22Å; M417-V420 PolarHBondContact O-N 2.92Å; V420-S424 VanDerWaalsContact O-CB 3.24Å; V420-S424 WeakPolarHBondContact O-CB 3.32Å; V420-S424 PolarHBondContact O-N 3.21Å; V420-S424 PolarHBondContact O-OG 3.3Å; V420-I444 HydrophobicContact CG1-CG2 4.22Å; V420-A448 HydrophobicContact CG1-CB 3.94Å
421A97.7Very high95.9Very high0 Ų018.1 Ų18.10%09%0.088CC..Hα-helixtrans-60.5-52.6179.200000112.3M417 F419 S424 I425 R441 I444M417-A421 HydrophobicContact CE-CB 4.11Å; M417-A421 WeakPolarHBondContact O-CB 3.46Å; M417-A421 PolarHBondContact O-N 3.37Å; F419-A421 PolarHBondContact O-N 3.24Å; A421-S424 PolarHBondContact O-N 2.96Å; A421-I425 WeakPolarHBondContact O-CB 3.39Å; A421-I425 WeakPolarHBondContact O-CD1 3.34Å; A421-I425 WeakPolarHBondContact O-CG1 3.44Å; A421-I425 PolarHBondContact O-N 3.12Å; A421-R441 HydrophobicContact CB-CB 4.39Å; A421-R441 HydrophobicContact CB-CG 4.07Å; A421-I444 HydrophobicContact CB-CB 4.19Å; A421-I444 HydrophobicContact CB-CG2 4.17Å
422S97.8Very high96.1Very high0 Ų018 Ų180%09%0.088CC..Hα-helixtrans-64.9-44.5-17857.70000112.4W383 F387 D418 F419 S424 I425 I426W383-S422 WeakPolarHBondContact O-CB 3.24Å; F387-S422 WeakPolarHBondContact CA-OG 3.49Å; F387-S422 WeakPolarHBondContact CB-OG 3.42Å; F387-S422 PolarHBondContact N-OG 2.85Å; D418-S422 VanDerWaalsContact O-CB 3.29Å; D418-S422 WeakPolarHBondContact O-CB 3.35Å; D418-S422 PolarHBondContact O-N 2.97Å; D418-S422 PolarHBondContact O-OG 3.31Å; F419-S422 PolarHBondContact O-N 2.78Å; F419-S422 PolarHBondContact O-OG 2.9Å; F419-S422 VanDerWaalsContact O-OG 3.13Å; S422-S424 PolarHBondContact O-N 2.66Å; S422-I425 PolarHBondContact O-N 3.47Å; S422-I426 WeakPolarHBondContact O-CB 3.3Å; S422-I426 WeakPolarHBondContact O-CD1 3.29Å; S422-I426 WeakPolarHBondContact O-CG1 3.15Å; S422-I426 PolarHBondContact O-N 3.25Å
423A98.4Very high96.3Very high0 Ų016.2 Ų16.20%08%0.079CC..Hα-helixtrans-61.6-44.5177.800000112.3W197 A198 F305 F387 F419 R427W197-A423 HydrophobicContact CZ3-CB 4.28Å; A198-A423 HydrophobicContact CB-CB 3.83Å; F305-A423 HydrophobicContact CZ-CB 4.42Å; F387-A423 HydrophobicContact CD2-CB 3.96Å; F387-A423 HydrophobicContact CE2-CB 3.9Å; F419-A423 VanDerWaalsContact O-CB 3.25Å; F419-A423 WeakPolarHBondContact O-CB 3.44Å; F419-A423 PolarHBondContact O-N 3.42Å; A423-R427 WeakPolarHBondContact O-CB 3.32Å; A423-R427 PolarHBondContact O-N 3.5Å
424S98.2Very high96.1Very high0 Ų019.1 Ų19.10%010%0.1CC..Hα-helixtrans-63.6-44.3179.6-54.30000111.9C194 V195 A198 V420 A421 S422 S428C194-S424 WeakPolarHBondContact CB-O 3.37Å; C194-S424 PolarHBondContact O-OG 3.49Å; V195-S424 WeakPolarHBondContact CA-OG 3.36Å; A198-S424 VanDerWaalsContact CB-OG 3.24Å; A198-S424 WeakPolarHBondContact CB-OG 3.4Å; V420-S424 VanDerWaalsContact O-CB 3.24Å; V420-S424 WeakPolarHBondContact O-CB 3.32Å; V420-S424 PolarHBondContact O-N 3.21Å; V420-S424 PolarHBondContact O-OG 3.3Å; A421-S424 PolarHBondContact O-N 2.96Å; S422-S424 PolarHBondContact O-N 2.66Å; S424-S428 WeakPolarHBondContact O-CB 3.43Å; S424-S428 PolarHBondContact O-N 3.13Å; S424-S428 PolarHBondContact O-OG 2.95Å
425I98Very high95.9Very high0 Ų016.2 Ų16.20%010%0.095CC..Hα-helixtrans-69.6-46.4-177.4-66.4168.2000110.6W383 A421 S422 R427 S428 Q429 L439 I444W383-I425 HydrophobicContact CD2-CB 4.41Å; W383-I425 HydrophobicContact CD2-CD1 3.88Å; W383-I425 HydrophobicContact CD2-CG2 4.23Å; W383-I425 HydrophobicContact CE3-CD1 4Å; W383-I425 HydrophobicContact CG-CB 4.42Å; W383-I425 HydrophobicContact CG-CG2 4Å; W383-I425 HydrophobicContact CH2-CD1 3.63Å; W383-I425 HydrophobicContact CZ2-CD1 3.46Å; W383-I425 VanDerWaalsContact CZ2-CD1 3.46Å; W383-I425 HydrophobicContact CZ3-CD1 3.88Å; A421-I425 WeakPolarHBondContact O-CB 3.39Å; A421-I425 WeakPolarHBondContact O-CD1 3.34Å; A421-I425 WeakPolarHBondContact O-CG1 3.44Å; A421-I425 PolarHBondContact O-N 3.12Å; S422-I425 PolarHBondContact O-N 3.47Å; I425-R427 VanDerWaalsContact C-N 3.33Å; I425-R427 PolarHBondContact O-N 3.14Å; I425-S428 PolarHBondContact O-N 2.95Å; I425-Q429 HydrophobicContact CG2-CG 4.41Å; I425-Q429 WeakPolarHBondContact O-CG 3.21Å; I425-Q429 PolarHBondContact O-N 3.24Å; I425-L439 HydrophobicContact CD1-CB 4.41Å; I425-L439 HydrophobicContact CG1-CB 3.9Å; I425-I444 HydrophobicContact CD1-CG1 3.95Å; I425-I444 HydrophobicContact CG1-CD1 4.14Å; I425-I444 HydrophobicContact CG1-CG1 3.75Å
426I98.1Very high95.6Very high0 Ų015.2 Ų15.20%09%0.092CC..Hα-helixtrans-57.5-51177.1-65.9163.3000109F305 W383 L384 F387 S422 S428 Q429 L430F305-I426 HydrophobicContact CB-CG2 4.38Å; F305-I426 HydrophobicContact CD1-CB 4.36Å; F305-I426 HydrophobicContact CD1-CG2 3.55Å; F305-I426 HydrophobicContact CD2-CG2 4.12Å; F305-I426 HydrophobicContact CE1-CB 4.06Å; F305-I426 HydrophobicContact CE1-CG2 3.75Å; F305-I426 HydrophobicContact CE2-CD1 4Å; F305-I426 HydrophobicContact CE2-CG2 4.3Å; F305-I426 HydrophobicContact CG-CG2 3.76Å; F305-I426 HydrophobicContact CZ-CB 4.25Å; F305-I426 HydrophobicContact CZ-CD1 4.11Å; F305-I426 HydrophobicContact CZ-CG2 4.14Å; W383-I426 HydrophobicContact CB-CD1 4.2Å; W383-I426 HydrophobicContact CB-CG1 3.85Å; L384-I426 HydrophobicContact CB-CD1 4.2Å; L384-I426 HydrophobicContact CD1-CD1 4.27Å; F387-I426 HydrophobicContact CB-CD1 4.22Å; S422-I426 WeakPolarHBondContact O-CB 3.3Å; S422-I426 WeakPolarHBondContact O-CD1 3.29Å; S422-I426 WeakPolarHBondContact O-CG1 3.15Å; S422-I426 PolarHBondContact O-N 3.25Å; I426-S428 PolarHBondContact O-N 3.46Å; I426-Q429 WeakPolarHBondContact O-CB 3.41Å; I426-Q429 PolarHBondContact O-N 3.14Å; I426-Q429 VanDerWaalsContact O-N 3.14Å; I426-L430 HydrophobicContact CG2-CD1 3.92Å; I426-L430 HydrophobicContact CG2-CG 4.26Å; I426-L430 VanDerWaalsContact O-CG 3.31Å; I426-L430 WeakPolarHBondContact O-CG 3.24Å; I426-L430 PolarHBondContact O-N 3.39Å
427R98.1Very high95.1Very high4 Ų420.3 Ų20.32%0.01512%0.119CC..Hα-helixtrans-58.1-47.1178.5-167.4170.6176101.3-5.6111.4I184 R185 C194 A423 I425 Q429 L430 F431I184-R427 PolarHBondContact O-NH2 2.91Å; R185-R427 PolarHBondContact O-NH2 3.06Å; C194-R427 HydrophobicContact CB-CB 4.29Å; C194-R427 HydrophobicContact CB-CG 4.48Å; A423-R427 WeakPolarHBondContact O-CB 3.32Å; A423-R427 PolarHBondContact O-N 3.5Å; I425-R427 VanDerWaalsContact C-N 3.33Å; I425-R427 PolarHBondContact O-N 3.14Å; R427-Q429 VanDerWaalsContact C-N 3.26Å; R427-Q429 PolarHBondContact O-N 2.73Å; R427-L430 PolarHBondContact O-N 2.91Å; R427-L430 VanDerWaalsContact O-N 3.12Å; R427-F431 HydrophobicContact CG-CD2 3.75Å; R427-F431 HydrophobicContact CG-CE2 3.7Å; R427-F431 VanDerWaalsContact O-CD2 3.29Å; R427-F431 WeakPolarHBondContact O-CD2 3.32Å; R427-F431 PolarHBondContact O-N 3.45Å
428S97.4Very high94.8Very high0 Ų025.8 Ų25.80%014%0.144CC..Hα-helixtrans-57.3-38.6177.8-58.10000112.9C194 S424 I425 I426 H432 L433 L439C194-S428 WeakPolarHBondContact CB-OG 3.47Å; C194-S428 PolarHBondContact SG-OG 3.09Å; S424-S428 WeakPolarHBondContact O-CB 3.43Å; S424-S428 PolarHBondContact O-N 3.13Å; S424-S428 PolarHBondContact O-OG 2.95Å; I425-S428 PolarHBondContact O-N 2.95Å; I426-S428 PolarHBondContact O-N 3.46Å; S428-H432 PolarHBondContact O-N 2.95Å; S428-L433 PolarHBondContact O-N 3.43Å; S428-L433 VanDerWaalsContact O-N 3.12Å; S428-L439 WeakPolarHBondContact OG-CD1 3.45Å
429Q96.6Very high94.6Very high40 Ų4025.1 Ų25.119%0.18714%0.14CC..Hα-helixtrans-68.3-43.6176.5-71.3176.3-12.100112.1T380 I425 I426 R427 F431 H432 A436T380-Q429 PolarHBondContact OG1-OE1 3.25Å; I425-Q429 HydrophobicContact CG2-CG 4.41Å; I425-Q429 WeakPolarHBondContact O-CG 3.21Å; I425-Q429 PolarHBondContact O-N 3.24Å; I426-Q429 WeakPolarHBondContact O-CB 3.41Å; I426-Q429 PolarHBondContact O-N 3.14Å; I426-Q429 VanDerWaalsContact O-N 3.14Å; R427-Q429 VanDerWaalsContact C-N 3.26Å; R427-Q429 PolarHBondContact O-N 2.73Å; Q429-F431 VanDerWaalsContact C-N 3.28Å; Q429-F431 PolarHBondContact O-N 2.59Å; Q429-H432 PolarHBondContact O-N 3.01Å; Q429-H432 VanDerWaalsContact O-N 3.14Å; Q429-A436 HydrophobicContact CG-CB 4.43Å
430L97Very high94.5Very high14 Ų1425.8 Ų25.87%0.07314%0.144CC..Hα-helixtrans-65.9-32179.7-59.9176.4000112F305 I309 P328 S329 I426 R427 H432F305-L430 HydrophobicContact CB-CD1 3.87Å; F305-L430 HydrophobicContact CD1-CD1 4.08Å; F305-L430 HydrophobicContact CG-CD1 4.37Å; I309-L430 HydrophobicContact CG1-CD1 4.14Å; P328-L430 CarbonylContact C-O 3.53Å; P328-L430 WeakPolarHBondContact CA-O 3.37Å; P328-L430 WeakPolarHBondContact CB-O 3.32Å; S329-L430 PolarHBondContact N-O 3.45Å; S329-L430 WeakPolarHBondContact O-CB 3.37Å; S329-L430 WeakPolarHBondContact O-CD2 3.48Å; I426-L430 HydrophobicContact CG2-CD1 3.92Å; I426-L430 HydrophobicContact CG2-CG 4.26Å; I426-L430 VanDerWaalsContact O-CG 3.31Å; I426-L430 WeakPolarHBondContact O-CG 3.24Å; I426-L430 PolarHBondContact O-N 3.39Å; R427-L430 PolarHBondContact O-N 2.91Å; R427-L430 VanDerWaalsContact O-N 3.12Å; L430-H432 VanDerWaalsContact C-N 3.34Å; L430-H432 PolarHBondContact O-CD2 3.27Å
431F95.9Very high94.3Very high8 Ų827.2 Ų27.24%0.03515%0.149CC..THydrogen-bonded Turntrans-85.80.5175.2-79-90.6000114.3N186 P188 I309 L312 W319 P328 R427 Q429 L433N186-F431 VanDerWaalsContact O-CE1 3.28Å; N186-F431 WeakPolarHBondContact O-CE1 3.47Å; P188-F431 VanDerWaalsContact CD-CE1 3.43Å; P188-F431 HydrophobicContact CG-CB 4.38Å; P188-F431 HydrophobicContact CG-CD1 3.59Å; P188-F431 HydrophobicContact CG-CD2 3.85Å; P188-F431 HydrophobicContact CG-CE1 3.68Å; P188-F431 HydrophobicContact CG-CE2 3.93Å; P188-F431 HydrophobicContact CG-CG 3.67Å; P188-F431 HydrophobicContact CG-CZ 3.82Å; I309-F431 HydrophobicContact CD1-CE2 3.73Å; I309-F431 HydrophobicContact CD1-CZ 4.14Å; L312-F431 HydrophobicContact CD1-CE1 4.42Å; L312-F431 HydrophobicContact CD1-CZ 3.71Å; W319-F431 HydrophobicContact CH2-CE1 4.04Å; P328-F431 HydrophobicContact CB-CD1 3.86Å; P328-F431 HydrophobicContact CB-CD2 4.5Å; P328-F431 HydrophobicContact CB-CE1 3.99Å; P328-F431 HydrophobicContact CB-CG 4.14Å; P328-F431 HydrophobicContact CB-CZ 4.42Å; P328-F431 HydrophobicContact CG-CD1 4.3Å; P328-F431 HydrophobicContact CG-CE1 4.04Å; R427-F431 HydrophobicContact CG-CD2 3.75Å; R427-F431 HydrophobicContact CG-CE2 3.7Å; R427-F431 VanDerWaalsContact O-CD2 3.29Å; R427-F431 WeakPolarHBondContact O-CD2 3.32Å; R427-F431 PolarHBondContact O-N 3.45Å; Q429-F431 VanDerWaalsContact C-N 3.28Å; Q429-F431 PolarHBondContact O-N 2.59Å; F431-L433 VanDerWaalsContact C-N 3.26Å; F431-L433 HydrophobicContact CB-CD2 3.85Å; F431-L433 HydrophobicContact CB-CG 4.07Å; F431-L433 PolarHBondContact O-N 3.44Å
432H94.1Very high94Very high66 Ų6632.3 Ų32.331%0.30617%0.172SC..THydrogen-bonded Turntrans54.838.7-179.6-52.6-77000113.6S329 S428 Q429 L430S329-H432 PolarHBondContact OG-CE1 2.71Å; S329-H432 PolarHBondContact OG-NE2 3.05Å; S428-H432 PolarHBondContact O-N 2.95Å; Q429-H432 PolarHBondContact O-N 3.01Å; Q429-H432 VanDerWaalsContact O-N 3.14Å; L430-H432 VanDerWaalsContact C-N 3.34Å; L430-H432 PolarHBondContact O-CD2 3.27Å
433L91.9Very high93.8Very high12 Ų1234 Ų346%0.06318%0.18CC..  trans-64.2144.2-177.4-57.8-170.9000111.5P188 S428 F431 G435 A436P188-L433 WeakPolarHBondContact O-CD2 3.38Å; S428-L433 PolarHBondContact O-N 3.43Å; S428-L433 VanDerWaalsContact O-N 3.12Å; F431-L433 VanDerWaalsContact C-N 3.26Å; F431-L433 HydrophobicContact CB-CD2 3.85Å; F431-L433 HydrophobicContact CB-CG 4.07Å; F431-L433 PolarHBondContact O-N 3.44Å; L433-G435 PolarHBondContact O-N 2.85Å; L433-A436 HydrophobicContact CB-CB 4.35Å; L433-A436 VanDerWaalsContact O-CB 3.24Å; L433-A436 WeakPolarHBondContact O-CB 3.24Å; L433-A436 PolarHBondContact O-N 3.26Å
434P86.4Confident93.6Very high110 Ų11034 Ų3471%0.71418%0.18SC*.THydrogen-bonded Turntrans-53.9125.9171.7-24.434.2000111A436P434-A436 VanDerWaalsContact C-N 3.33Å; P434-A436 PolarHBondContact O-N 3.49Å
435G86.8Confident93.4Very high30 Ų3036 Ų3631%0.30919%0.189SC..THydrogen-bonded Turntrans78.56.4-179.700000115.7L433 D437 Q438L433-G435 PolarHBondContact O-N 2.85Å; G435-D437 PolarHBondContact O-N 3.19Å; G435-D437 VanDerWaalsContact O-N 3.12Å; G435-Q438 WeakPolarHBondContact O-CB 3.36Å; G435-Q438 PolarHBondContact O-N 3.19Å
436A89.7Confident93Very high8 Ų837.6 Ų37.67%0.06620%0.2CC..THydrogen-bonded Turntrans-57.2-27.2178.700000113.9Q429 L433 P434 Q438Q429-A436 HydrophobicContact CG-CB 4.43Å; L433-A436 HydrophobicContact CB-CB 4.35Å; L433-A436 VanDerWaalsContact O-CB 3.24Å; L433-A436 WeakPolarHBondContact O-CB 3.24Å; L433-A436 PolarHBondContact O-N 3.26Å; P434-A436 VanDerWaalsContact C-N 3.33Å; P434-A436 PolarHBondContact O-N 3.49Å; A436-Q438 VanDerWaalsContact C-N 3.29Å
437D86.7Confident92.6Very high109 Ų10940 Ų4058%0.58321%0.213SC*.THydrogen-bonded Turntrans-74.4-16.5175.865.5-49.2000113.8G435G435-D437 PolarHBondContact O-N 3.19Å; G435-D437 VanDerWaalsContact O-N 3.12Å
438Q89.5Confident92.2Very high115 Ų11539.9 Ų39.954%0.53721%0.213SC..THydrogen-bonded Turntrans-93.6-14.7178.6-54.8-177.320.900112.4G435 A436 I443G435-Q438 WeakPolarHBondContact O-CB 3.36Å; G435-Q438 PolarHBondContact O-N 3.19Å; A436-Q438 VanDerWaalsContact C-N 3.29Å; Q438-I443 WeakPolarHBondContact O-CD1 3.48Å
439L92.6Very high91.6Very high11 Ų1140.8 Ų40.86%0.05822%0.222CC..  trans-65.1137.5-178.8-59.1175.9000111.7P191 I425 S428 I443 I444P191-L439 HydrophobicContact CB-CD1 4.08Å; P191-L439 HydrophobicContact CB-CD2 3.93Å; P191-L439 HydrophobicContact CG-CD1 4.36Å; P191-L439 HydrophobicContact CG-CD2 4.14Å; I425-L439 HydrophobicContact CD1-CB 4.41Å; I425-L439 HydrophobicContact CG1-CB 3.9Å; S428-L439 WeakPolarHBondContact OG-CD1 3.45Å; L439-I443 HydrophobicContact CD2-CG2 3.96Å; L439-I444 HydrophobicContact CD1-CD1 4.4Å; L439-I444 HydrophobicContact CD2-CD1 4.27Å
440N94.7Very high90.8Very high14 Ų1442.9 Ų42.98%0.07524%0.235CC..  trans-144.7175175.159.637.3000109.8Q375 F442 I443 I444Q375-N440 PolarHBondContact O-ND2 2.99Å; Q375-N440 VanDerWaalsContact O-ND2 3.13Å; N440-F442 PolarHBondContact O-N 3.31Å; N440-F442 WeakPolarHBondContact OD1-CB 3.21Å; N440-F442 PolarHBondContact OD1-N 3.38Å; N440-I443 PolarHBondContact O-N 3.31Å; N440-I443 WeakPolarHBondContact OD1-CG1 3.15Å; N440-I443 PolarHBondContact OD1-N 2.92Å; N440-I444 WeakPolarHBondContact O-CG1 3.23Å; N440-I444 PolarHBondContact O-N 3.36Å
441R94.7Very high89.7Confident31 Ų3145 Ų4512%0.11725%0.246CC..Hα-helixtrans-59.6-36.1-176.8-176.2175.9-177.3-83.8-3.6112.1D374 W383 D418 A421 K445D374-R441 HydrophobicContact CB-CB 4.35Å; D374-R441 PolarHBondContact O-N 3.4Å; D374-R441 WeakPolarHBondContact OD1-CD 3.49Å; D374-R441 IonicContact OD1-CZ 3.74Å; D374-R441 IonicContact OD1-NE 3.31Å; D374-R441 IonicContact OD1-NH1 2.7Å; D374-R441 PolarHBondContact OD1-NH1 3.08Å; D374-R441 IonicContact OD2-NH1 3.57Å; D374-R441 PolarHBondContact OD2-NH1 2.99Å; W383-R441 HydrophobicContact CH2-CB 4.17Å; W383-R441 HydrophobicContact CZ3-CB 4.47Å; D418-R441 WeakPolarHBondContact OD1-CD 3.46Å; D418-R441 IonicContact OD1-CZ 2.98Å; D418-R441 IonicContact OD1-NE 3.72Å; D418-R441 PolarHBondContact OD1-NE 2.67Å; D418-R441 IonicContact OD1-NH2 3.81Å; D418-R441 PolarHBondContact OD1-NH2 3.31Å; A421-R441 HydrophobicContact CB-CB 4.39Å; A421-R441 HydrophobicContact CB-CG 4.07Å; R441-K445 VanDerWaalsContact O-CB 3.26Å; R441-K445 WeakPolarHBondContact O-CB 3.5Å; R441-K445 PolarHBondContact O-N 3.18Å
442F91.6Very high88.5Confident107 Ų10748.8 Ų48.847%0.46927%0.265SS..Hα-helixtrans-62.8-49.8178-178.9-92.3000112.3D374 Q375 N440 K445 S446D374-F442 HydrophobicContact CB-CB 4.12Å; D374-F442 PolarHBondContact O-N 2.96Å; Q375-F442 HydrophobicContact CG-CB 4.01Å; Q375-F442 HydrophobicContact CG-CG 4.16Å; N440-F442 PolarHBondContact O-N 3.31Å; N440-F442 WeakPolarHBondContact OD1-CB 3.21Å; N440-F442 PolarHBondContact OD1-N 3.38Å; F442-K445 PolarHBondContact O-N 2.94Å; F442-S446 PolarHBondContact O-N 3.03Å
443I92.6Very high87.4Confident35 Ų3548.2 Ų48.218%0.17927%0.267CS..Hα-helixtrans-61.6-48178.2-66.9166.2000110Q438 L439 N440 K445 S446 L447Q438-I443 WeakPolarHBondContact O-CD1 3.48Å; L439-I443 HydrophobicContact CD2-CG2 3.96Å; N440-I443 PolarHBondContact O-N 3.31Å; N440-I443 WeakPolarHBondContact OD1-CG1 3.15Å; N440-I443 PolarHBondContact OD1-N 2.92Å; I443-K445 VanDerWaalsContact C-N 3.34Å; I443-K445 PolarHBondContact O-N 3.24Å; I443-S446 VanDerWaalsContact O-CB 3.31Å; I443-S446 WeakPolarHBondContact O-CB 3.02Å; I443-S446 PolarHBondContact O-N 3.16Å; I443-S446 VanDerWaalsContact O-N 3.1Å; I443-L447 HydrophobicContact CG2-CD1 4.16Å; I443-L447 PolarHBondContact O-N 2.99Å
444I95.5Very high86.5Confident0 Ų049 Ų490%028%0.275CS..Hα-helixtrans-64.2-39179.8-57.3-59.8000111.7V195 M417 V420 A421 I425 L439 N440 S446 L447 A448V195-I444 HydrophobicContact CG2-CD1 3.78Å; V195-I444 HydrophobicContact CG2-CG2 3.86Å; M417-I444 HydrophobicContact CE-CB 4.42Å; M417-I444 HydrophobicContact CE-CG2 3.87Å; V420-I444 HydrophobicContact CG1-CG2 4.22Å; A421-I444 HydrophobicContact CB-CB 4.19Å; A421-I444 HydrophobicContact CB-CG2 4.17Å; I425-I444 HydrophobicContact CD1-CG1 3.95Å; I425-I444 HydrophobicContact CG1-CD1 4.14Å; I425-I444 HydrophobicContact CG1-CG1 3.75Å; L439-I444 HydrophobicContact CD1-CD1 4.4Å; L439-I444 HydrophobicContact CD2-CD1 4.27Å; N440-I444 WeakPolarHBondContact O-CG1 3.23Å; N440-I444 PolarHBondContact O-N 3.36Å; I444-S446 VanDerWaalsContact C-N 3.26Å; I444-S446 PolarHBondContact O-N 3.28Å; I444-L447 HydrophobicContact CD1-CD1 4.5Å; I444-L447 PolarHBondContact O-N 3.32Å; I444-A448 WeakPolarHBondContact O-CB 3.41Å; I444-A448 PolarHBondContact O-N 3.15Å
445K93.7Very high86.4Confident42 Ų4245.7 Ų45.718%0.18325%0.253CS..Hα-helixtrans-60.5-38.4174.6178.5163177.3153.90111.6K411 D412 M417 R441 F442 I443 G449 I451K411-K445 VanDerWaalsContact O-CE 3.23Å; K411-K445 WeakPolarHBondContact O-CE 3.44Å; K411-K445 PolarHBondContact O-NZ 3.41Å; D412-K445 IonicContact OD1-NZ 3.55Å; D412-K445 PolarHBondContact OD1-NZ 3Å; M417-K445 VanDerWaalsContact CE-CA 3.47Å; M417-K445 HydrophobicContact CE-CB 3.89Å; M417-K445 HydrophobicContact CG-CB 4.18Å; M417-K445 HydrophobicContact CG-CD 4.09Å; M417-K445 HydrophobicContact CG-CG 4.25Å; M417-K445 HydrophobicContact SD-CB 3.66Å; M417-K445 HydrophobicContact SD-CD 4.19Å; M417-K445 HydrophobicContact SD-CG 3.73Å; R441-K445 VanDerWaalsContact O-CB 3.26Å; R441-K445 WeakPolarHBondContact O-CB 3.5Å; R441-K445 PolarHBondContact O-N 3.18Å; F442-K445 PolarHBondContact O-N 2.94Å; I443-K445 VanDerWaalsContact C-N 3.34Å; I443-K445 PolarHBondContact O-N 3.24Å; K445-G449 PolarHBondContact O-N 3.41Å; K445-G449 VanDerWaalsContact O-N 3.07Å; K445-I451 HydrophobicContact CG-CD1 3.78Å; K445-I451 WeakPolarHBondContact O-CD1 3.38Å
446S89.7Confident86.5Confident34 Ų3446.3 Ų46.324%0.23826%0.255CS..Hα-helixtrans-63-48.3175.9-147.40000112.1F442 I443 I444 N450 I451F442-S446 PolarHBondContact O-N 3.03Å; I443-S446 VanDerWaalsContact O-CB 3.31Å; I443-S446 WeakPolarHBondContact O-CB 3.02Å; I443-S446 PolarHBondContact O-N 3.16Å; I443-S446 VanDerWaalsContact O-N 3.1Å; I444-S446 VanDerWaalsContact C-N 3.26Å; I444-S446 PolarHBondContact O-N 3.28Å; S446-N450 PolarHBondContact O-N 2.91Å; S446-I451 PolarHBondContact O-N 3.05Å
447L89.1Confident86.8Confident49 Ų4949.1 Ų49.126%0.25727%0.274SS..Hα-helixtrans-66.2-48.3178.3-67.1175.9000112.5P191 I192 V195 I443 I444 G449 N450P191-L447 HydrophobicContact CB-CD1 4.35Å; I192-L447 HydrophobicContact CD1-CB 4Å; I192-L447 HydrophobicContact CD1-CD2 4.33Å; V195-L447 HydrophobicContact CG1-CB 4.4Å; V195-L447 HydrophobicContact CG2-CB 4.13Å; V195-L447 HydrophobicContact CG2-CD1 4.19Å; I443-L447 HydrophobicContact CG2-CD1 4.16Å; I443-L447 PolarHBondContact O-N 2.99Å; I444-L447 HydrophobicContact CD1-CD1 4.5Å; I444-L447 PolarHBondContact O-N 3.32Å; L447-G449 PolarHBondContact O-N 3.48Å; L447-N450 PolarHBondContact O-N 2.84Å; L447-N450 PolarHBondContact O-OD1 3.11Å
448A90.8Very high87.1Confident2 Ų244.2 Ų44.22%0.01725%0.248CC..Hα-helixtrans-68.2-37.2-174.700000112.7V195 K199 W409 M417 V420 I444V195-A448 VanDerWaalsContact CG1-CA 3.48Å; V195-A448 HydrophobicContact CG1-CB 3.55Å; K199-A448 HydrophobicContact CD-CB 4.39Å; K199-A448 PolarHBondContact NZ-O 3.03Å; W409-A448 HydrophobicContact CH2-CB 3.77Å; W409-A448 VanDerWaalsContact CH2-O 3.29Å; W409-A448 WeakPolarHBondContact CH2-O 3.47Å; W409-A448 HydrophobicContact CZ2-CB 3.74Å; M417-A448 HydrophobicContact CE-CB 4.13Å; V420-A448 HydrophobicContact CG1-CB 3.94Å; I444-A448 WeakPolarHBondContact O-CB 3.41Å; I444-A448 PolarHBondContact O-N 3.15Å
449G84.2Confident87.2Confident19 Ų1939 Ų3920%0.19622%0.224CC..THydrogen-bonded Turntrans-89.8-0.5-17900000114.4K445 L447 I451K445-G449 PolarHBondContact O-N 3.41Å; K445-G449 VanDerWaalsContact O-N 3.07Å; L447-G449 PolarHBondContact O-N 3.48Å; G449-I451 PolarHBondContact O-N 2.95Å
450N80Confident87.5Confident85 Ų8540 Ų4046%0.45523%0.234SC..THydrogen-bonded Turntrans45.748.4-170.5-66.9-25.8000111.5S446 L447 I452S446-N450 PolarHBondContact O-N 2.91Å; L447-N450 PolarHBondContact O-N 2.84Å; L447-N450 PolarHBondContact O-OD1 3.11Å; N450-I452 PolarHBondContact O-N 2.92Å; N450-I452 VanDerWaalsContact O-N 3.11Å
451I73.4Confident87.6Confident59 Ų5943 Ų4330%0.30325%0.249SC..  trans-70.3113.8-168.9-61.4-175.9000110K445 S446 G449 P453K445-I451 HydrophobicContact CG-CD1 3.78Å; K445-I451 WeakPolarHBondContact O-CD1 3.38Å; S446-I451 PolarHBondContact O-N 3.05Å; G449-I451 PolarHBondContact O-N 2.95Å; I451-P453 WeakPolarHBondContact O-CD 3.01Å
452I71.6Confident87.8Confident86 Ų8641.5 Ų41.544%0.44124%0.244SC..  trans-84.2121.8169.9-58.1177.9000108.4A131 N450 A454A131-I452 HydrophobicContact CB-CG2 3.59Å; N450-I452 PolarHBondContact O-N 2.92Å; N450-I452 VanDerWaalsContact O-N 3.11Å; I452-A454 PolarHBondContact O-N 2.99Å
453P69.5Low88.1Confident55 Ų5536.4 Ų36.436%0.35722%0.221SC..  trans-55.9138.4173.6-24.433.8000110.7G132 I451G132-P453 WeakPolarHBondContact CA-O 3.42Å; G132-P453 PolarHBondContact N-O 3.44Å; I451-P453 WeakPolarHBondContact O-CD 3.01Å
454A73.6Confident88.4Confident27 Ų2736 Ų3622%0.22323%0.225CC..BIsolated β-bridgetrans-135.3126.3-175.900000111.3R48 I452R48-A454 VanDerWaalsContact NE-CB 3.31Å; I452-A454 PolarHBondContact O-N 2.99Å
455V84.2Confident88.5Confident42 Ų4237.2 Ų37.226%0.25523%0.231SC..  trans-117.2130.3-174.8-173.40000109.4Y133 S457 T458 N459Y133-V455 HydrophobicContact CE1-CG2 4.42Å; V455-S457 VanDerWaalsContact C-N 3.3Å; V455-S457 WeakPolarHBondContact CG1-OG 3.33Å; V455-S457 PolarHBondContact O-N 2.61Å; V455-T458 PolarHBondContact O-N 3.02Å; V455-N459 PolarHBondContact O-N 3.36Å
456A90.1Very high88.7Confident42 Ų4235.2 Ų35.235%0.34722%0.223SC..Hα-helixtrans-58.1-39.5-176.500000113R48 N459 A460R48-A456 HydrophobicContact CB-CB 4.18Å; A456-N459 PolarHBondContact O-N 3.32Å; A456-A460 PolarHBondContact O-N 2.78Å
457S95.2Very high89.1Confident68 Ų6833.7 Ų33.748%0.47621%0.212SC..Hα-helixtrans-63.9-41.4178.1540000112.4V455 A460 I461V455-S457 VanDerWaalsContact C-N 3.3Å; V455-S457 WeakPolarHBondContact CG1-OG 3.33Å; V455-S457 PolarHBondContact O-N 2.61Å; S457-A460 PolarHBondContact O-N 2.9Å; S457-I461 VanDerWaalsContact O-CG1 3.29Å; S457-I461 WeakPolarHBondContact O-CG1 3.45Å; S457-I461 PolarHBondContact O-N 3.09Å
458T92.2Very high89.5Confident6 Ų635.7 Ų35.74%0.03722%0.223CC..Hα-helixtrans-62.5-45.1176.8-45.40000110.8T130 G132 L134 V455 A460 I461 V462T130-T458 HydrophobicContact CG2-CG2 3.93Å; G132-T458 WeakPolarHBondContact O-CB 3.46Å; G132-T458 PolarHBondContact O-OG1 2.71Å; L134-T458 WeakPolarHBondContact O-CG2 3.33Å; V455-T458 PolarHBondContact O-N 3.02Å; T458-A460 VanDerWaalsContact C-N 3.32Å; T458-A460 PolarHBondContact O-N 3.33Å; T458-I461 PolarHBondContact O-N 2.76Å; T458-V462 WeakPolarHBondContact O-CG2 3.37Å; T458-V462 PolarHBondContact O-N 3.19Å
459N93Very high89.7Confident4 Ų436.1 Ų36.12%0.02122%0.224CC..Hα-helixtrans-58-43.8174.9-67.6-24.1000112I17 T130 V455 A456 V462 A463I17-N459 HydrophobicContact CG1-CB 4.33Å; T130-N459 PolarHBondContact OG1-OD1 3.29Å; V455-N459 PolarHBondContact O-N 3.36Å; A456-N459 PolarHBondContact O-N 3.32Å; N459-V462 PolarHBondContact O-N 2.81Å; N459-A463 VanDerWaalsContact O-CB 3.23Å; N459-A463 WeakPolarHBondContact O-CB 3.33Å; N459-A463 PolarHBondContact O-N 3.15Å
460A97.6Very high90.2Very high32 Ų3235.2 Ų35.226%0.26422%0.215SC..Hα-helixtrans-65.1-40.5179.400000112.5E20 A456 S457 T458 G464E20-A460 HydrophobicContact CG-CB 4.14Å; A456-A460 PolarHBondContact O-N 2.78Å; S457-A460 PolarHBondContact O-N 2.9Å; T458-A460 VanDerWaalsContact C-N 3.32Å; T458-A460 PolarHBondContact O-N 3.33Å; A460-G464 PolarHBondContact O-N 3.39Å
461I97.7Very high90.9Very high78 Ų7835 Ų3540%0.421%0.208SC..Hα-helixtrans-64.1-50.7176.2-64.4164.3000110S457 T458 A463 G464 L465 I486S457-I461 VanDerWaalsContact O-CG1 3.29Å; S457-I461 WeakPolarHBondContact O-CG1 3.45Å; S457-I461 PolarHBondContact O-N 3.09Å; T458-I461 PolarHBondContact O-N 2.76Å; I461-A463 PolarHBondContact O-N 2.86Å; I461-G464 PolarHBondContact O-N 2.88Å; I461-L465 HydrophobicContact CG2-CD1 4.09Å; I461-L465 WeakPolarHBondContact O-CG 3.43Å; I461-L465 PolarHBondContact O-N 2.85Å; I461-I486 HydrophobicContact CB-CD1 4.15Å; I461-I486 HydrophobicContact CG2-CD1 3.52Å; I461-I486 HydrophobicContact CG2-CG1 4.32Å
462V97.9Very high91.8Very high0 Ų034.3 Ų34.30%020%0.203CC..Hα-helixtrans-57.9-48.7178.2168.60000110.9I17 T130 V137 T458 N459 G464 L465 M466 I486I17-V462 HydrophobicContact CD1-CG1 4.09Å; I17-V462 HydrophobicContact CG1-CG1 4.45Å; I17-V462 HydrophobicContact CG2-CG1 4.43Å; T130-V462 HydrophobicContact CG2-CB 4.05Å; T130-V462 HydrophobicContact CG2-CG1 4.38Å; T130-V462 HydrophobicContact CG2-CG2 3.59Å; V137-V462 HydrophobicContact CG2-CG1 3.8Å; T458-V462 WeakPolarHBondContact O-CG2 3.37Å; T458-V462 PolarHBondContact O-N 3.19Å; N459-V462 PolarHBondContact O-N 2.81Å; V462-G464 VanDerWaalsContact C-N 3.28Å; V462-G464 PolarHBondContact O-N 3.49Å; V462-L465 WeakPolarHBondContact O-CB 3.33Å; V462-L465 PolarHBondContact O-N 3.48Å; V462-L465 VanDerWaalsContact O-N 3.09Å; V462-M466 HydrophobicContact CG1-CG 4.36Å; V462-M466 HydrophobicContact CG1-SD 4.05Å; V462-M466 VanDerWaalsContact O-CG 3.31Å; V462-M466 WeakPolarHBondContact O-CG 3.4Å; V462-M466 PolarHBondContact O-N 2.83Å; V462-I486 HydrophobicContact CG2-CD1 3.46Å; V462-I486 VanDerWaalsContact CG2-CD1 3.46Å
463A98.5Very high92.8Very high0 Ų030.8 Ų30.80%019%0.185CC..Hα-helixtrans-60-35.8177.900000113.4E20 V21 N24 N459 I461 V467E20-A463 HydrophobicContact CB-CB 3.37Å; V21-A463 HydrophobicContact CB-CB 4.46Å; V21-A463 HydrophobicContact CG2-CB 3.59Å; N24-A463 PolarHBondContact ND2-O 2.77Å; N459-A463 VanDerWaalsContact O-CB 3.23Å; N459-A463 WeakPolarHBondContact O-CB 3.33Å; N459-A463 PolarHBondContact O-N 3.15Å; I461-A463 PolarHBondContact O-N 2.86Å; A463-V467 PolarHBondContact O-N 2.9Å
464G98.4Very high93.8Very high25 Ų2530.5 Ų30.526%0.25818%0.18SC..Hα-helixtrans-64.8-45.3173.700000111.9N24 A460 I461 V462 M466 V467 L468N24-G464 PolarHBondContact ND2-N 3Å; A460-G464 PolarHBondContact O-N 3.39Å; I461-G464 PolarHBondContact O-N 2.88Å; V462-G464 VanDerWaalsContact C-N 3.28Å; V462-G464 PolarHBondContact O-N 3.49Å; G464-M466 PolarHBondContact O-N 3.29Å; G464-V467 PolarHBondContact O-N 2.84Å; G464-L468 WeakPolarHBondContact O-CG 3.2Å; G464-L468 PolarHBondContact O-N 2.91Å; G464-L468 VanDerWaalsContact O-N 3.09Å
465L98.3Very high94.5Very high26 Ų2632 Ų3214%0.13619%0.19CC..Hα-helixtrans-63.2-39.3176.9-68171.3000112V137 I461 V462 V467 L468 Q469 V484 I486 V500V137-L465 HydrophobicContact CB-CB 4.37Å; V137-L465 HydrophobicContact CG2-CB 3.73Å; I461-L465 HydrophobicContact CG2-CD1 4.09Å; I461-L465 WeakPolarHBondContact O-CG 3.43Å; I461-L465 PolarHBondContact O-N 2.85Å; V462-L465 WeakPolarHBondContact O-CB 3.33Å; V462-L465 PolarHBondContact O-N 3.48Å; V462-L465 VanDerWaalsContact O-N 3.09Å; L465-V467 PolarHBondContact O-N 3.38Å; L465-L468 HydrophobicContact CD2-CD1 4.42Å; L465-L468 WeakPolarHBondContact O-CB 3.4Å; L465-L468 PolarHBondContact O-N 2.85Å; L465-Q469 WeakPolarHBondContact O-CG 3.28Å; L465-Q469 PolarHBondContact O-N 2.88Å; L465-V484 HydrophobicContact CD1-CB 4.35Å; L465-V484 HydrophobicContact CD1-CG1 3.74Å; L465-V484 HydrophobicContact CD2-CG1 4.22Å; L465-I486 HydrophobicContact CD1-CD1 4.01Å; L465-I486 HydrophobicContact CD1-CG1 4.15Å; L465-V500 HydrophobicContact CD1-CG1 4.25Å; L465-V500 HydrophobicContact CD2-CG1 4.42Å
466M98.4Very high94.7Very high0 Ų037.5 Ų37.50%021%0.21CC..Hα-helixtrans-57.7-49.7175.3-68.4169.882.700111.7I17 V21 F102 N103 I126 S128 V137 V462 G464 L468 Q469 A470I17-M466 HydrophobicContact CG2-CE 4.24Å; I17-M466 HydrophobicContact CG2-SD 3.46Å; I17-M466 WeakPolarHBondContact CG2-SD 3.35Å; V21-M466 HydrophobicContact CG2-CE 4.05Å; V21-M466 HydrophobicContact CG2-SD 3.57Å; V21-M466 VanDerWaalsContact CG2-SD 3.57Å; F102-M466 HydrophobicContact CB-CE 4.08Å; F102-M466 HydrophobicContact CD1-CB 4.17Å; F102-M466 HydrophobicContact CD1-CE 4.06Å; F102-M466 HydrophobicContact CE1-CB 4.31Å; N103-M466 VanDerWaalsContact O-CE 3.26Å; N103-M466 WeakPolarHBondContact O-CE 3.35Å; I126-M466 WeakPolarHBondContact CD1-O 3.28Å; I126-M466 HydrophobicContact CG2-CB 3.91Å; I126-M466 HydrophobicContact CG2-CE 4.3Å; I126-M466 HydrophobicContact CG2-CG 3.86Å; S128-M466 VanDerWaalsContact CB-SD 3.58Å; S128-M466 WeakPolarHBondContact OG-CE 3.27Å; S128-M466 PolarHBondContact OG-SD 2.8Å; S128-M466 VanDerWaalsContact OG-SD 3.39Å; V137-M466 HydrophobicContact CB-CG 4.5Å; V137-M466 HydrophobicContact CG1-CG 3.98Å; V137-M466 HydrophobicContact CG2-CG 3.69Å; V462-M466 HydrophobicContact CG1-CG 4.36Å; V462-M466 HydrophobicContact CG1-SD 4.05Å; V462-M466 VanDerWaalsContact O-CG 3.31Å; V462-M466 WeakPolarHBondContact O-CG 3.4Å; V462-M466 PolarHBondContact O-N 2.83Å; G464-M466 PolarHBondContact O-N 3.29Å; M466-L468 VanDerWaalsContact C-N 3.29Å; M466-L468 PolarHBondContact O-N 3.16Å; M466-Q469 PolarHBondContact O-N 2.57Å; M466-A470 PolarHBondContact O-N 3.03Å
467V97.4Very high94.7Very high3 Ų339.4 Ų39.42%0.01821%0.21CC..Hα-helixtrans-66.5-32.5179.6177.20000111.6N24 L25 N28 F30 A463 G464 L465 A470 R471N24-V467 HydrophobicContact CB-CB 4.44Å; N24-V467 HydrophobicContact CB-CG2 3.73Å; L25-V467 HydrophobicContact CD2-CG2 4.11Å; L25-V467 HydrophobicContact CG-CG2 4.33Å; N28-V467 HydrophobicContact CB-CG1 4.12Å; F30-V467 HydrophobicContact CE2-CG1 4.43Å; A463-V467 PolarHBondContact O-N 2.9Å; G464-V467 PolarHBondContact O-N 2.84Å; L465-V467 PolarHBondContact O-N 3.38Å; V467-A470 PolarHBondContact O-N 2.83Å; V467-R471 WeakPolarHBondContact O-CG 3.39Å; V467-R471 PolarHBondContact O-N 2.91Å; V467-R471 VanDerWaalsContact O-N 3.09Å
468L96.8Very high94.4Very high91 Ų9136.4 Ų36.448%0.47619%0.189SC..Hα-helixtrans-63.4-45.1172.9-73.5171.7000112.2G464 L465 M466 A470 R471 H472G464-L468 WeakPolarHBondContact O-CG 3.2Å; G464-L468 PolarHBondContact O-N 2.91Å; G464-L468 VanDerWaalsContact O-N 3.09Å; L465-L468 HydrophobicContact CD2-CD1 4.42Å; L465-L468 WeakPolarHBondContact O-CB 3.4Å; L465-L468 PolarHBondContact O-N 2.85Å; M466-L468 VanDerWaalsContact C-N 3.29Å; M466-L468 PolarHBondContact O-N 3.16Å; L468-A470 VanDerWaalsContact C-N 3.35Å; L468-A470 PolarHBondContact O-N 3.04Å; L468-R471 WeakPolarHBondContact O-CB 3.5Å; L468-R471 PolarHBondContact O-N 3.08Å; L468-H472 PolarHBondContact O-N 3.18Å
469Q96.1Very high94.3Very high10 Ų1041.5 Ų41.55%0.04721%0.212CC..Hα-helixtrans-64.8-39.5176.5-62.9-54.5-2800111.8I126 V137 P139 L465 M466 R471 H472 I473 R482I126-Q469 HydrophobicContact CD1-CB 4.24Å; V137-Q469 HydrophobicContact CG1-CG 4.01Å; P139-Q469 HydrophobicContact CG-CB 3.75Å; P139-Q469 HydrophobicContact CG-CG 3.69Å; L465-Q469 WeakPolarHBondContact O-CG 3.28Å; L465-Q469 PolarHBondContact O-N 2.88Å; M466-Q469 PolarHBondContact O-N 2.57Å; Q469-R471 VanDerWaalsContact C-N 3.25Å; Q469-R471 PolarHBondContact O-N 2.87Å; Q469-H472 WeakPolarHBondContact O-CB 3.26Å; Q469-H472 PolarHBondContact O-N 3.41Å; Q469-H472 PolarHBondContact OE1-ND1 3.24Å; Q469-I473 WeakPolarHBondContact O-CG1 3.43Å; Q469-I473 PolarHBondContact O-N 2.91Å; Q469-R482 PolarHBondContact NE2-O 3Å
470A94.9Very high94.3Very high0 Ų047.5 Ų47.50%024%0.235CC..Hα-helixtrans-57.4-40174.200000112.3V100 F102 I126 M466 V467 L468 H472 I473 L474V100-A470 HydrophobicContact CG1-CB 4.38Å; F102-A470 HydrophobicContact CE1-CB 3.78Å; F102-A470 HydrophobicContact CZ-CB 3.44Å; F102-A470 VanDerWaalsContact CZ-CB 3.44Å; I126-A470 VanDerWaalsContact CD1-CA 3.5Å; I126-A470 HydrophobicContact CD1-CB 3.5Å; I126-A470 VanDerWaalsContact CD1-CB 3.5Å; I126-A470 VanDerWaalsContact CD1-N 3.32Å; M466-A470 PolarHBondContact O-N 3.03Å; V467-A470 PolarHBondContact O-N 2.83Å; L468-A470 VanDerWaalsContact C-N 3.35Å; L468-A470 PolarHBondContact O-N 3.04Å; A470-H472 VanDerWaalsContact C-N 3.34Å; A470-H472 PolarHBondContact O-N 3.33Å; A470-I473 PolarHBondContact O-N 3.12Å; A470-L474 WeakPolarHBondContact O-CB 3.41Å; A470-L474 VanDerWaalsContact O-CG 3.26Å; A470-L474 WeakPolarHBondContact O-CG 3.21Å; A470-L474 PolarHBondContact O-N 2.98Å
471R93.7Very high94.2Very high81 Ų8146 Ų4631%0.30622%0.222SC..Hα-helixtrans-65.6-36.2176.6-70.3175.863.87710.3112.5V467 L468 Q469 S475V467-R471 WeakPolarHBondContact O-CG 3.39Å; V467-R471 PolarHBondContact O-N 2.91Å; V467-R471 VanDerWaalsContact O-N 3.09Å; L468-R471 WeakPolarHBondContact O-CB 3.5Å; L468-R471 PolarHBondContact O-N 3.08Å; Q469-R471 VanDerWaalsContact C-N 3.25Å; Q469-R471 PolarHBondContact O-N 2.87Å; R471-S475 WeakPolarHBondContact O-CB 3.29Å; R471-S475 PolarHBondContact O-N 3.48Å; R471-S475 PolarHBondContact O-OG 2.86Å
472H92.8Very high94.1Very high45 Ų4546.2 Ų46.221%0.20822%0.218CC..Hα-helixtrans-63.2-46.8174.3-63.5155.7000111L468 Q469 A470 S475 K476 K477 R480 I481L468-H472 PolarHBondContact O-N 3.18Å; Q469-H472 WeakPolarHBondContact O-CB 3.26Å; Q469-H472 PolarHBondContact O-N 3.41Å; Q469-H472 PolarHBondContact OE1-ND1 3.24Å; A470-H472 VanDerWaalsContact C-N 3.34Å; A470-H472 PolarHBondContact O-N 3.33Å; H472-S475 PolarHBondContact O-N 3.15Å; H472-K476 PolarHBondContact O-N 3.34Å; H472-K477 PolarHBondContact O-N 2.95Å; H472-R480 PolarHBondContact ND1-O 3Å; H472-I481 HydrophobicContact CB-CG1 3.99Å
473I91.7Very high94.1Very high11 Ų1146.7 Ų46.76%0.05622%0.221CC..Hα-helixtrans-58.1-54176.6-64.2169000110.7V100 P124 I126 P139 I141 Q469 A470 S475 K476 I481V100-I473 HydrophobicContact CG2-CG2 4.23Å; P124-I473 HydrophobicContact CB-CD1 4.09Å; P124-I473 HydrophobicContact CB-CG2 3.92Å; P124-I473 HydrophobicContact CG-CG2 3.8Å; I126-I473 HydrophobicContact CD1-CD1 4.17Å; I126-I473 HydrophobicContact CG1-CD1 4.13Å; P139-I473 HydrophobicContact CB-CD1 4.44Å; I141-I473 HydrophobicContact CD1-CD1 4.3Å; I141-I473 HydrophobicContact CD1-CG1 4.11Å; Q469-I473 WeakPolarHBondContact O-CG1 3.43Å; Q469-I473 PolarHBondContact O-N 2.91Å; A470-I473 PolarHBondContact O-N 3.12Å; I473-S475 VanDerWaalsContact C-N 3.26Å; I473-S475 PolarHBondContact O-N 3.12Å; I473-K476 PolarHBondContact O-N 3.03Å; I473-I481 HydrophobicContact CG1-CD1 3.79Å
474L90.5Very high94.1Very high49 Ų4947 Ų4726%0.25722%0.223SC..Hα-helixtrans-67.7-26.3-176.6-67.3170.5000113.4L5 F30 C99 V100 A470 K476L5-L474 HydrophobicContact CD2-CB 3.75Å; L5-L474 HydrophobicContact CD2-CD1 3.81Å; L5-L474 HydrophobicContact CD2-CG 4.42Å; F30-L474 HydrophobicContact CE1-CD1 3.49Å; F30-L474 VanDerWaalsContact CE1-CD1 3.49Å; F30-L474 HydrophobicContact CZ-CD1 3.52Å; C99-L474 HydrophobicContact CB-CD2 3.94Å; V100-L474 HydrophobicContact CG2-CD1 4.35Å; V100-L474 HydrophobicContact CG2-CD2 3.93Å; V100-L474 HydrophobicContact CG2-CG 4.01Å; A470-L474 WeakPolarHBondContact O-CB 3.41Å; A470-L474 VanDerWaalsContact O-CG 3.26Å; A470-L474 WeakPolarHBondContact O-CG 3.21Å; A470-L474 PolarHBondContact O-N 2.98Å; L474-K476 VanDerWaalsContact C-N 3.26Å
475S89.9Confident94Very high60 Ų6048 Ų4842%0.4222%0.22SC..THydrogen-bonded Turntrans-85.42173.6-52.90000113R471 H472 I473 K477R471-S475 WeakPolarHBondContact O-CB 3.29Å; R471-S475 PolarHBondContact O-N 3.48Å; R471-S475 PolarHBondContact O-OG 2.86Å; H472-S475 PolarHBondContact O-N 3.15Å; I473-S475 VanDerWaalsContact C-N 3.26Å; I473-S475 PolarHBondContact O-N 3.12Å; S475-K477 PolarHBondContact O-N 3.48Å
476K87.9Confident93.8Very high156 Ų15647.1 Ų47.168%0.67821%0.214SC*.THydrogen-bonded Turntrans54.734.7-174.9-57.5-173.7178.7-170.30113.5H472 I473 L474 F478H472-K476 PolarHBondContact O-N 3.34Å; I473-K476 PolarHBondContact O-N 3.03Å; L474-K476 VanDerWaalsContact C-N 3.26Å; K476-F478 HydrophobicContact CB-CD2 4.43Å; K476-F478 HydrophobicContact CB-CE2 3.69Å; K476-F478 HydrophobicContact CB-CZ 4.16Å; K476-F478 HydrophobicContact CG-CE2 4.23Å; K476-F478 HydrophobicContact CG-CZ 4.3Å; K476-F478 WeakPolarHBondContact O-CD2 3.41Å; K476-F478 PolarHBondContact O-N 3.46Å
477K89.9Confident93.5Very high82 Ų8249 Ų4936%0.35722%0.223SC..  trans-100.163.6178.3-66.7-172.6-179.3-1780110.5H472 S475 E479 R480H472-K477 PolarHBondContact O-N 2.95Å; S475-K477 PolarHBondContact O-N 3.48Å; K477-E479 WeakPolarHBondContact CA-OE2 3.24Å; K477-E479 PolarHBondContact O-N 2.99Å; K477-R480 HydrophobicContact CB-CG 4.34Å; K477-R480 PolarHBondContact O-N 3.48Å; K477-R480 VanDerWaalsContact O-N 3.1Å
478F88.5Confident93Very high6 Ų654.5 Ų54.53%0.02624%0.244CC..G310 helixtrans-65.2-27.3-171.6-55.2-81.6000112.7V144 M146 Y162 K476 R480 I481V144-F478 HydrophobicContact CB-CE1 4.23Å; V144-F478 HydrophobicContact CB-CZ 4.14Å; V144-F478 HydrophobicContact CG1-CE1 4.16Å; V144-F478 HydrophobicContact CG1-CE2 4.43Å; V144-F478 HydrophobicContact CG1-CZ 3.62Å; V144-F478 HydrophobicContact CG2-CE1 4.28Å; M146-F478 HydrophobicContact CE-CB 4.42Å; M146-F478 HydrophobicContact CE-CD2 3.97Å; M146-F478 HydrophobicContact SD-CB 4.22Å; M146-F478 HydrophobicContact SD-CD2 3.04Å; M146-F478 WeakPolarHBondContact SD-CD2 3.29Å; M146-F478 HydrophobicContact SD-CE2 3.47Å; M146-F478 WeakPolarHBondContact SD-CE2 3.49Å; M146-F478 HydrophobicContact SD-CG 3.85Å; Y162-F478 HydrophobicContact CD1-CB 4.1Å; Y162-F478 AromaticContact CD1-CD1 3.83Å; Y162-F478 HydrophobicContact CD1-CD1 3.83Å; Y162-F478 HydrophobicContact CD1-CG 4.24Å; Y162-F478 HydrophobicContact CD2-CB 3.69Å; Y162-F478 HydrophobicContact CD2-CG 4.47Å; Y162-F478 HydrophobicContact CE1-CB 4.33Å; Y162-F478 HydrophobicContact CE1-CD1 4.33Å; Y162-F478 HydrophobicContact CE2-CB 3.92Å; Y162-F478 HydrophobicContact CG-CB 3.77Å; Y162-F478 HydrophobicContact CG-CD1 4.11Å; Y162-F478 HydrophobicContact CG-CG 4.07Å; K476-F478 HydrophobicContact CB-CD2 4.43Å; K476-F478 HydrophobicContact CB-CE2 3.69Å; K476-F478 HydrophobicContact CB-CZ 4.16Å; K476-F478 HydrophobicContact CG-CE2 4.23Å; K476-F478 HydrophobicContact CG-CZ 4.3Å; K476-F478 WeakPolarHBondContact O-CD2 3.41Å; K476-F478 PolarHBondContact O-N 3.46Å; F478-R480 PolarHBondContact O-N 3.44Å; F478-R480 VanDerWaalsContact O-N 3.12Å; F478-I481 HydrophobicContact CB-CD1 4.24Å; F478-I481 HydrophobicContact CD1-CD1 3.7Å; F478-I481 HydrophobicContact CG-CD1 4.38Å; F478-I481 WeakPolarHBondContact O-CB 3.44Å; F478-I481 WeakPolarHBondContact O-CG1 3.18Å; F478-I481 PolarHBondContact O-N 3.18Å; F478-I481 VanDerWaalsContact O-N 3.1Å
479E89.8Confident92.7Very high112 Ų11258.2 Ų58.252%0.52325%0.251SS..G310 helixtrans-62-19.7174.477.5-68.2167.400113.7K477 R482K477-E479 WeakPolarHBondContact CA-OE2 3.24Å; K477-E479 PolarHBondContact O-N 2.99Å; E479-R482 PolarHBondContact O-NH1 2.99Å
480R93.8Very high92.4Very high131 Ų13160.5 Ų60.549%0.49427%0.267SS..G310 helixtrans-95.8-5.1179.5-62-174.8179.7-149.7-9.5113.9H472 K477 F478 R482H472-R480 PolarHBondContact ND1-O 3Å; K477-R480 HydrophobicContact CB-CG 4.34Å; K477-R480 PolarHBondContact O-N 3.48Å; K477-R480 VanDerWaalsContact O-N 3.1Å; F478-R480 PolarHBondContact O-N 3.44Å; F478-R480 VanDerWaalsContact O-N 3.12Å; R480-R482 PolarHBondContact O-N 3Å
481I95.1Very high92.1Very high0 Ų063.1 Ų63.10%028%0.283CS..  trans-70.8131.9-177.7-63.4-176.6000108.6P139 I141 Y162 H472 I473 F478 P505P139-I481 HydrophobicContact CB-CG2 3.59Å; P139-I481 HydrophobicContact CG-CG2 3.73Å; I141-I481 HydrophobicContact CD1-CD1 3.36Å; I141-I481 HydrophobicContact CD1-CG2 4.31Å; Y162-I481 HydrophobicContact CE1-CD1 4.2Å; H472-I481 HydrophobicContact CB-CG1 3.99Å; I473-I481 HydrophobicContact CG1-CD1 3.79Å; F478-I481 HydrophobicContact CB-CD1 4.24Å; F478-I481 HydrophobicContact CD1-CD1 3.7Å; F478-I481 HydrophobicContact CG-CD1 4.38Å; F478-I481 WeakPolarHBondContact O-CB 3.44Å; F478-I481 WeakPolarHBondContact O-CG1 3.18Å; F478-I481 PolarHBondContact O-N 3.18Å; F478-I481 VanDerWaalsContact O-N 3.1Å; I481-P505 HydrophobicContact CG2-CG 3.97Å
482R97Very high91.6Very high82 Ų8261.9 Ų61.931%0.30930%0.295SS..  trans-138.9139.9-179.9-66.1-66.2-178.8-79.54.1109.7P139 Q469 E479 R480 V484 P502 V503P139-R482 WeakPolarHBondContact CD-O 3.31Å; Q469-R482 PolarHBondContact NE2-O 3Å; E479-R482 PolarHBondContact O-NH1 2.99Å; R480-R482 PolarHBondContact O-N 3Å; R482-V484 HydrophobicContact CB-CG2 4.17Å; R482-P502 HydrophobicContact CB-CB 3.93Å; R482-P502 HydrophobicContact CG-CB 3.94Å; R482-V503 CarbonylContact C-O 3.5Å; R482-V503 VanDerWaalsContact CA-O 3.3Å; R482-V503 WeakPolarHBondContact CA-O 3.3Å; R482-V503 WeakPolarHBondContact CB-O 3.2Å; R482-V503 VanDerWaalsContact CD-O 3.24Å; R482-V503 WeakPolarHBondContact CD-O 3.29Å
483S97.3Very high91.2Very high11 Ų1166.5 Ų66.58%0.07731%0.311CS..EExtended strand (participates in β ladder)trans-70.9135.4154.8-63.90000107.4V137 P502 V503V137-S483 CarbonylContact O-C 3.54Å; V137-S483 WeakPolarHBondContact O-CA 3.35Å; S483-P502 CarbonylContact O-C 3.44Å; S483-P502 WeakPolarHBondContact O-CA 3.39Å; S483-V503 PolarHBondContact N-O 3.25Å; S483-V503 PolarHBondContact O-N 2.74Å
484V97.7Very high90.8Very high6 Ų674.1 Ų74.14%0.03634%0.339CS..EExtended strand (participates in β ladder)trans-127.4126.1-173.7-172.80000109.5Q136 V137 L465 R482 V500 V501Q136-V484 CarbonylContact C-O 3.54Å; Q136-V484 WeakPolarHBondContact CA-O 3.38Å; V137-V484 PolarHBondContact N-O 3.49Å; V137-V484 PolarHBondContact O-N 2.98Å; L465-V484 HydrophobicContact CD1-CB 4.35Å; L465-V484 HydrophobicContact CD1-CG1 3.74Å; L465-V484 HydrophobicContact CD2-CG1 4.22Å; R482-V484 HydrophobicContact CB-CG2 4.17Å; V484-V500 HydrophobicContact CG1-CG1 3.28Å; V484-V501 WeakPolarHBondContact CA-O 3.37Å
485Y96.4Very high90.5Very high47 Ų4775.9 Ų75.918%0.18437%0.369CS..EExtended strand (participates in β ladder)trans-112.1139.8178.1-58.1-84.5000110.8Q136 E138 V500 V501 V503Q136-Y485 HydrophobicContact CB-CD1 3.72Å; Q136-Y485 HydrophobicContact CB-CE1 3.92Å; E138-Y485 PolarHBondContact OE1-OH 3.47Å; Y485-V500 CarbonylContact O-C 3.59Å; Y485-V500 WeakPolarHBondContact O-CA 3.19Å; Y485-V501 PolarHBondContact N-O 2.91Å; Y485-V501 PolarHBondContact O-N 3.33Å; Y485-V503 HydrophobicContact CD2-CG2 3.91Å; Y485-V503 HydrophobicContact CE2-CB 4.26Å; Y485-V503 HydrophobicContact CE2-CG2 3.96Å
486I94.2Very high90.4Very high6 Ų677.4 Ų77.43%0.03137%0.373CS..EExtended strand (participates in β ladder)trans-111.9123.2177.4-53.9166.4000107.5L134 G135 I461 V462 L465L134-I486 WeakPolarHBondContact CA-O 3.47Å; G135-I486 PolarHBondContact N-O 3.13Å; G135-I486 PolarHBondContact O-N 3.05Å; I461-I486 HydrophobicContact CB-CD1 4.15Å; I461-I486 HydrophobicContact CG2-CD1 3.52Å; I461-I486 HydrophobicContact CG2-CG1 4.32Å; V462-I486 HydrophobicContact CG2-CD1 3.46Å; V462-I486 VanDerWaalsContact CG2-CD1 3.46Å; L465-I486 HydrophobicContact CD1-CD1 4.01Å; L465-I486 HydrophobicContact CD1-CG1 4.15Å
487H91.5Very high90.5Very high39 Ų3977 Ų7718%0.18137%0.367CS..EExtended strand (participates in β ladder)trans-103.7157.9176.4-63.2-78.7000111.6R489 T491 L499H487-R489 VanDerWaalsContact C-N 3.31Å; H487-R489 VanDerWaalsContact CB-O 3.29Å; H487-R489 WeakPolarHBondContact CB-O 3.25Å; H487-R489 PolarHBondContact O-N 2.89Å; H487-T491 HydrophobicContact CB-CG2 3.98Å; H487-T491 PolarHBondContact CD2-OG1 3.26Å; H487-T491 VanDerWaalsContact CD2-OG1 3.23Å; H487-L499 PolarHBondContact N-O 3.16Å; H487-L499 WeakPolarHBondContact O-CD1 3.36Å
488R87.3Confident90.7Very high119 Ų11978.4 Ų78.445%0.44937%0.37SS..EExtended strand (participates in β ladder)trans-68.5-30.8174-175.5176.4-179-176.91112.7Y133 L134Y133-R488 HydrophobicContact CD2-CG 4.18Å; Y133-R488 HydrophobicContact CG-CG 4.26Å; L134-R488 HydrophobicContact CD2-CB 4.27Å
489R90.1Very high90.9Very high170 Ų17082 Ų8264%0.64239%0.389SS*.EExtended strand (participates in β ladder)trans-133.3152.6178-65.4-171.9178.6101.1-2.8109.1H487 T491H487-R489 VanDerWaalsContact C-N 3.31Å; H487-R489 VanDerWaalsContact CB-O 3.29Å; H487-R489 WeakPolarHBondContact CB-O 3.25Å; H487-R489 PolarHBondContact O-N 2.89Å; R489-T491 PolarHBondContact O-N 3.44Å
490P91.4Very high91.2Very high57 Ų5779.4 Ų79.437%0.3738%0.38SS..EExtended strand (participates in β ladder)trans-57.9127.3176.7-24.334.2000112R497 R498P490-R497 HydrophobicContact CB-CB 3.81Å; P490-R497 PolarHBondContact O-NE 3.38Å; P490-R497 VanDerWaalsContact O-NE 3.14Å; P490-R497 PolarHBondContact O-NH2 2.7Å; P490-R498 WeakPolarHBondContact CA-O 3.5Å
491T87.2Confident91.3Very high55 Ų5574.6 Ų74.634%0.33737%0.366SS..EExtended strand (participates in β ladder)trans-109.5159.1179.456.20000111H487 R489 R497 R498H487-T491 HydrophobicContact CB-CG2 3.98Å; H487-T491 PolarHBondContact CD2-OG1 3.26Å; H487-T491 VanDerWaalsContact CD2-OG1 3.23Å; R489-T491 PolarHBondContact O-N 3.44Å; T491-R497 CarbonylContact O-C 3.42Å; T491-R497 WeakPolarHBondContact O-CA 3.29Å; T491-R498 PolarHBondContact N-O 2.92Å; T491-R498 PolarHBondContact O-N 2.92Å; T491-R498 PolarHBondContact OG1-O 2.97Å
492G84.9Confident91.3Very high55 Ų5577.1 Ų77.157%0.56738%0.382SS*.SBendtrans109.1177.5-178.900000114.5
493R84.3Confident91.2Very high142 Ų14275.4 Ų75.454%0.53638%0.38SS..SBendtrans-69.2154.7-177.3-57.2-174.9-166.6-170.66.5112G495 N496 R497 D690 D693R493-G495 PolarHBondContact O-N 2.87Å; R493-N496 CarbonylContact O-C 3.54Å; R493-N496 PolarHBondContact O-N 3.33Å; R493-R497 WeakPolarHBondContact O-CG 3.41Å; R493-R497 PolarHBondContact O-N 2.89Å; R493-D690 PolarHBondContact NH2-O 3.17Å; R493-D693 IonicContact CZ-OD1 3.64Å; R493-D693 IonicContact NE-OD1 3.04Å; R493-D693 PolarHBondContact NE-OD1 3.06Å; R493-D693 IonicContact NH2-OD1 3.6Å; R493-D693 PolarHBondContact NH2-OD1 3.37Å
494R81.6Confident91Very high171 Ų17182 Ų8265%0.64541%0.41SS*.THydrogen-bonded Turntrans-53.9125.4177.1-142.6178.3-177.5160.75.3108.9A761 D763R494-A761 PolarHBondContact NH2-O 2.97Å; R494-D763 IonicContact NH2-OD2 2.99Å
495G84.8Confident90.8Very high86 Ų8682.3 Ų82.389%0.88741%0.413SS*.THydrogen-bonded Turntrans94.7-14.8-175.100000116.6R493R493-G495 PolarHBondContact O-N 2.87Å
496N87.6Confident90.6Very high93 Ų9382.9 Ų82.950%0.49743%0.427SS..  trans-135.538175.1-171.928.8000111.5R493 R498R493-N496 CarbonylContact O-C 3.54Å; R493-N496 PolarHBondContact O-N 3.33Å; N496-R498 PolarHBondContact OD1-NE 3.33Å; N496-R498 PolarHBondContact OD1-NH2 3.24Å; N496-R498 VanDerWaalsContact OD1-NH2 3.08Å
497R91.2Very high90.5Very high147 Ų14787.5 Ų87.556%0.55546%0.457SS*.  trans-74128.9177.7-66.4-177.967.8-172.63.4110.3P490 T491 R493P490-R497 HydrophobicContact CB-CB 3.81Å; P490-R497 PolarHBondContact O-NE 3.38Å; P490-R497 VanDerWaalsContact O-NE 3.14Å; P490-R497 PolarHBondContact O-NH2 2.7Å; T491-R497 CarbonylContact O-C 3.42Å; T491-R497 WeakPolarHBondContact O-CA 3.29Å; R493-R497 WeakPolarHBondContact O-CG 3.41Å; R493-R497 PolarHBondContact O-N 2.89Å
498R93Very high90.5Very high112 Ų11287.2 Ų87.242%0.42346%0.459SS..EExtended strand (participates in β ladder)trans-125.6138.3-177-63.4-177.5-173.5-161.50.6110.8P490 T491 N496 V501P490-R498 WeakPolarHBondContact CA-O 3.5Å; T491-R498 PolarHBondContact N-O 2.92Å; T491-R498 PolarHBondContact O-N 2.92Å; T491-R498 PolarHBondContact OG1-O 2.97Å; N496-R498 PolarHBondContact OD1-NE 3.33Å; N496-R498 PolarHBondContact OD1-NH2 3.24Å; N496-R498 VanDerWaalsContact OD1-NH2 3.08Å; R498-V501 HydrophobicContact CB-CG2 3.99Å
499L93.1Very high90.7Very high82 Ų8284.4 Ų84.443%0.42945%0.453SS..EExtended strand (participates in β ladder)trans-82.6-37.1169.6-169.472.7000111.1H487H487-L499 PolarHBondContact N-O 3.16Å; H487-L499 WeakPolarHBondContact O-CD1 3.36Å
500V95.9Very high90.5Very high56 Ų5680.7 Ų80.734%0.33945%0.451SS..EExtended strand (participates in β ladder)trans-111.5110.4177.1-1780000107.3L465 V484 Y485 P502L465-V500 HydrophobicContact CD1-CG1 4.25Å; L465-V500 HydrophobicContact CD2-CG1 4.42Å; V484-V500 HydrophobicContact CG1-CG1 3.28Å; Y485-V500 CarbonylContact O-C 3.59Å; Y485-V500 WeakPolarHBondContact O-CA 3.19Å; V500-P502 VanDerWaalsContact O-CD 3.32Å; V500-P502 WeakPolarHBondContact O-CD 3.47Å
501V95.5Very high90.3Very high30 Ų3082.3 Ų82.318%0.18246%0.463CS..EExtended strand (participates in β ladder)trans-106.2104.4-171.8-178.30000109V484 Y485 R498 V503V484-V501 WeakPolarHBondContact CA-O 3.37Å; Y485-V501 PolarHBondContact N-O 2.91Å; Y485-V501 PolarHBondContact O-N 3.33Å; R498-V501 HydrophobicContact CB-CG2 3.99Å; V501-V503 HydrophobicContact CG1-CG2 4.08Å
502P95.3Very high90.3Very high53 Ų5380 Ų8034%0.34445%0.449SS..EExtended strand (participates in β ladder)trans-80.1134.6170.931.8-32.3000110.6R482 S483 V500R482-P502 HydrophobicContact CB-CB 3.93Å; R482-P502 HydrophobicContact CG-CB 3.94Å; S483-P502 CarbonylContact O-C 3.44Å; S483-P502 WeakPolarHBondContact O-CA 3.39Å; V500-P502 VanDerWaalsContact O-CD 3.32Å; V500-P502 WeakPolarHBondContact O-CD 3.47Å
503V94.1Very high90.3Very high46 Ų4680.1 Ų80.128%0.27944%0.437SS..EExtended strand (participates in β ladder)trans-127.9146178.4-172.10000108.6R482 S483 Y485 V501R482-V503 CarbonylContact C-O 3.5Å; R482-V503 VanDerWaalsContact CA-O 3.3Å; R482-V503 WeakPolarHBondContact CA-O 3.3Å; R482-V503 WeakPolarHBondContact CB-O 3.2Å; R482-V503 VanDerWaalsContact CD-O 3.24Å; R482-V503 WeakPolarHBondContact CD-O 3.29Å; S483-V503 PolarHBondContact N-O 3.25Å; S483-V503 PolarHBondContact O-N 2.74Å; Y485-V503 HydrophobicContact CD2-CG2 3.91Å; Y485-V503 HydrophobicContact CE2-CB 4.26Å; Y485-V503 HydrophobicContact CE2-CG2 3.96Å; V501-V503 HydrophobicContact CG1-CG2 4.08Å
504E94.3Very high90.5Very high149 Ų14973.9 Ų73.970%0.69641%0.414SS*.PPolyproline II helixtrans-64.7131.9172.3-170.1161.8-171.400109.9A506E504-A506 PolarHBondContact O-N 2.71Å
505P94.3Very high90.9Very high14 Ų1465.9 Ų65.99%0.09138%0.384CS..PPolyproline II helixtrans-62.8136.8179.3-20.432.3000111.1T164 I481T164-P505 HydrophobicContact CG2-CB 3.59Å; T164-P505 HydrophobicContact CG2-CG 4.19Å; I481-P505 HydrophobicContact CG2-CG 3.97Å
506A92.2Very high90.9Very high59 Ų5962.2 Ų62.249%0.48835%0.345SS..PPolyproline II helixtrans-61.1144.2176.500000111.3G165 E504G165-A506 PolarHBondContact N-O 3.09Å; E504-A506 PolarHBondContact O-N 2.71Å
507P92.1Very high90.4Very high102 Ų10263.1 Ų63.166%0.66235%0.35SS*.PPolyproline II helixtrans-67.5164.9170.830.5-35.2000111N509P507-N509 PolarHBondContact O-N 3.17Å
508P91.5Very high89.6Confident34 Ų3460 Ų6022%0.22135%0.35CS..PPolyproline II helixtrans-52130.1171.8-26.334.3000112.9R163 P510R163-P508 HydrophobicContact CB-CG 4.15Å; R163-P508 HydrophobicContact CG-CG 3.49Å; R163-P508 VanDerWaalsContact CG-CG 3.49Å; P508-P510 VanDerWaalsContact O-CD 3.29Å; P508-P510 WeakPolarHBondContact O-CD 3.44Å
509N89.8Confident88.6Confident59 Ų5955.7 Ų55.732%0.31634%0.337SS..PPolyproline II helixtrans-70.5118.8171.3179.1-6.9000109.1C169 P507 S511 C512C169-N509 HydrophobicContact CB-CB 3.83Å; C169-N509 PolarHBondContact O-ND2 3.33Å; C169-N509 PolarHBondContact SG-N 3.13Å; C169-N509 VanDerWaalsContact SG-N 3.45Å; P507-N509 PolarHBondContact O-N 3.17Å; N509-S511 PolarHBondContact O-N 3.29Å; N509-S511 VanDerWaalsContact O-N 3.11Å; N509-S511 WeakPolarHBondContact OD1-CB 3.44Å; N509-S511 PolarHBondContact OD1-N 2.9Å; N509-C512 HydrophobicContact CB-CB 4.13Å; N509-C512 VanDerWaalsContact O-CB 3.32Å; N509-C512 WeakPolarHBondContact O-CB 3.33Å; N509-C512 PolarHBondContact O-N 2.9Å
510P87Confident87.3Confident93 Ų9355.6 Ų55.660%0.60433%0.331SS*.THydrogen-bonded Turntrans-60.1-21.4179.1-23.134.5000113.9P508 S516 V519P508-P510 VanDerWaalsContact O-CD 3.29Å; P508-P510 WeakPolarHBondContact O-CD 3.44Å; P510-S516 VanDerWaalsContact O-CB 3.27Å; P510-S516 WeakPolarHBondContact O-CB 3.21Å; P510-S516 PolarHBondContact O-OG 3.49Å; P510-V519 WeakPolarHBondContact O-CG2 3.34Å
511S86.2Confident86Confident90 Ų9058.3 Ų58.363%0.62934%0.344SS*.THydrogen-bonded Turntrans-95.41.9179.1-56.80000113.8N509 L513N509-S511 PolarHBondContact O-N 3.29Å; N509-S511 VanDerWaalsContact O-N 3.11Å; N509-S511 WeakPolarHBondContact OD1-CB 3.44Å; N509-S511 PolarHBondContact OD1-N 2.9Å; S511-L513 PolarHBondContact O-N 3.48Å
512C88Confident84.6Confident6 Ų659 Ų594%0.04135%0.35CS..  trans-68.5125-179.4-179.40000111.7C166 N509 V514 S516C166-C512 VanDerWaalsContact SG-SG 3.61Å; N509-C512 HydrophobicContact CB-CB 4.13Å; N509-C512 VanDerWaalsContact O-CB 3.32Å; N509-C512 WeakPolarHBondContact O-CB 3.33Å; N509-C512 PolarHBondContact O-N 2.9Å; C512-V514 PolarHBondContact O-N 2.97Å; C512-V514 VanDerWaalsContact O-N 3.12Å; C512-V514 PolarHBondContact SG-N 3.32Å; C512-V514 VanDerWaalsContact SG-N 3.44Å; C512-S516 WeakPolarHBondContact O-CB 3.4Å; C512-S516 PolarHBondContact O-N 2.66Å
513L84.7Confident83.6Confident59 Ų5961 Ų6131%0.30935%0.354SS..THydrogen-bonded Turntrans-61.1-20.6177.7-62.7179.9000114S511 V519 L524 L547S511-L513 PolarHBondContact O-N 3.48Å; L513-V519 HydrophobicContact CD2-CG1 3.49Å; L513-V519 VanDerWaalsContact CD2-CG1 3.49Å; L513-V519 HydrophobicContact CG-CG1 4.48Å; L513-L524 HydrophobicContact CD1-CD1 4.25Å; L513-L524 HydrophobicContact CD2-CD1 3.78Å; L513-L524 HydrophobicContact CD2-CD2 3.88Å; L513-L524 HydrophobicContact CD2-CG 4.3Å; L513-L547 HydrophobicContact CD1-CD2 4.15Å
514V88.6Confident83.2Confident10 Ų1059.4 Ų59.46%0.06134%0.344CS..THydrogen-bonded Turntrans-101.3-51.7-169.6-179.80000111.9R116 I119 E168 C512 F600R116-V514 HydrophobicContact CG-CG1 3.84Å; I119-V514 HydrophobicContact CD1-CG1 3.68Å; E168-V514 HydrophobicContact CB-CB 4.49Å; E168-V514 HydrophobicContact CB-CG2 4.09Å; E168-V514 HydrophobicContact CG-CG2 4.49Å; C512-V514 PolarHBondContact O-N 2.97Å; C512-V514 VanDerWaalsContact O-N 3.12Å; C512-V514 PolarHBondContact SG-N 3.32Å; C512-V514 VanDerWaalsContact SG-N 3.44Å; V514-F600 HydrophobicContact CG2-CE2 4.11Å; V514-F600 HydrophobicContact CG2-CZ 4.42Å
515C89.4Confident83Confident3 Ų354.4 Ų54.42%0.0232%0.321CS..THydrogen-bonded Turntrans-103-8.1-172.880.20000114I119 R163 C166 C169I119-C515 HydrophobicContact CD1-CB 4.13Å; R163-C515 VanDerWaalsContact CZ-O 3.26Å; R163-C515 PolarHBondContact NH1-O 3.33Å; R163-C515 PolarHBondContact NH2-O 3.05Å; C166-C515 HydrophobicContact CB-CB 3.85Å; C169-C515 PolarHBondContact SG-SG 3.2Å
516S86.2Confident82.9Confident9 Ų953.7 Ų53.76%0.06332%0.316CS..  trans-85.5121.6178.5-176.20000111.4P510 C512 S518 V519 R520P510-S516 VanDerWaalsContact O-CB 3.27Å; P510-S516 WeakPolarHBondContact O-CB 3.21Å; P510-S516 PolarHBondContact O-OG 3.49Å; C512-S516 WeakPolarHBondContact O-CB 3.4Å; C512-S516 PolarHBondContact O-N 2.66Å; S516-S518 VanDerWaalsContact C-N 3.28Å; S516-S518 PolarHBondContact O-N 2.95Å; S516-S518 PolarHBondContact OG-OG 3.23Å; S516-V519 PolarHBondContact O-N 2.77Å; S516-R520 PolarHBondContact O-N 3.32Å
517D77.2Confident83Confident113 Ų11351.6 Ų51.660%0.60430%0.297SS*.Hα-helixtrans-66.4-31.9177.7-61.1-41.1000112V519 N521D517-V519 VanDerWaalsContact C-N 3.31Å; D517-N521 PolarHBondContact O-ND2 3.11Å
518S74Confident83Confident80 Ų8046.8 Ų46.856%0.55927%0.265SS*.Hα-helixtrans-68.8-34176.256.90000111.7S516 S522S516-S518 VanDerWaalsContact C-N 3.28Å; S516-S518 PolarHBondContact O-N 2.95Å; S516-S518 PolarHBondContact OG-OG 3.23Å; S518-S522 PolarHBondContact O-N 3.48Å
519V70.7Confident83Confident23 Ų2345.1 Ų45.114%0.13926%0.255CS..Hα-helixtrans-87.1-36.6-174.8-176.10000112.4P510 L513 S516 D517 N521 S522P510-V519 WeakPolarHBondContact O-CG2 3.34Å; L513-V519 HydrophobicContact CD2-CG1 3.49Å; L513-V519 VanDerWaalsContact CD2-CG1 3.49Å; L513-V519 HydrophobicContact CG-CG1 4.48Å; S516-V519 PolarHBondContact O-N 2.77Å; D517-V519 VanDerWaalsContact C-N 3.31Å; V519-N521 PolarHBondContact O-N 3.36Å; V519-S522 WeakPolarHBondContact CA-OG 3.28Å; V519-S522 WeakPolarHBondContact O-CB 3.35Å; V519-S522 PolarHBondContact O-N 2.82Å; V519-S522 PolarHBondContact O-OG 2.59Å
520R67.4Low83.1Confident80 Ų8042.7 Ų42.730%0.30224%0.242SC..Hα-helixtrans-55.7-27171.3-76.1-169.277.2178.67.7112.3S516 D599S516-R520 PolarHBondContact O-N 3.32Å; R520-D599 PolarHBondContact NH2-O 2.77Å; R520-D599 IonicContact NH2-OD1 3.88Å
521N67.1Low83.4Confident113 Ų11343.3 Ų43.360%0.60424%0.237SC*.THydrogen-bonded Turntrans-92.2-11175.7-67.9-51.4000114D517 V519 R603D517-N521 PolarHBondContact O-ND2 3.11Å; V519-N521 PolarHBondContact O-N 3.36Å; N521-R603 PolarHBondContact O-NH2 3.02Å
522S66.8Low83.5Confident45 Ų4542 Ų4232%0.31522%0.223SC..SBendtrans-77.8151.6179.7740000111.8S518 V519S518-S522 PolarHBondContact O-N 3.48Å; V519-S522 WeakPolarHBondContact CA-OG 3.28Å; V519-S522 WeakPolarHBondContact O-CB 3.35Å; V519-S522 PolarHBondContact O-N 2.82Å; V519-S522 PolarHBondContact O-OG 2.59Å
523Q74.9Confident83.7Confident94 Ų9441.7 Ų41.744%0.43922%0.221SC..EExtended strand (participates in β ladder)trans-95.1121.7174.3-70171.2-38.800108.2R603 I605Q523-R603 HydrophobicContact CG-CB 4.12Å; Q523-I605 HydrophobicContact CB-CD1 3.58Å; Q523-I605 HydrophobicContact CB-CG1 3.98Å; Q523-I605 HydrophobicContact CG-CD1 4.06Å; Q523-I605 HydrophobicContact CG-CG1 4.41Å; Q523-I605 VanDerWaalsContact OE1-CD1 3.31Å
524L86Confident84.1Confident13 Ų1340.2 Ų40.27%0.06821%0.214CC..EExtended strand (participates in β ladder)trans-85.6148.5173-65.8177.1000109.3L513 I602 R603 L604 I605 I650L513-L524 HydrophobicContact CD1-CD1 4.25Å; L513-L524 HydrophobicContact CD2-CD1 3.78Å; L513-L524 HydrophobicContact CD2-CD2 3.88Å; L513-L524 HydrophobicContact CD2-CG 4.3Å; L524-I602 HydrophobicContact CD1-CD1 4.44Å; L524-I602 HydrophobicContact CD1-CG2 3.85Å; L524-R603 PolarHBondContact N-O 3.01Å; L524-L604 HydrophobicContact CB-CD2 3.9Å; L524-L604 CarbonylContact O-C 3.5Å; L524-L604 WeakPolarHBondContact O-CA 3.44Å; L524-I605 PolarHBondContact O-N 3.34Å; L524-I650 HydrophobicContact CB-CG2 4.23Å; L524-I650 HydrophobicContact CD1-CG2 4.15Å
525H89.7Confident84.4Confident43 Ų4339.8 Ų39.820%0.19921%0.211CC..EExtended strand (participates in β ladder)trans-97128.5176.3-74.8-104.4000111I605 S607 I650 V651 M654H525-I605 CarbonylContact C-O 3.49Å; H525-I605 WeakPolarHBondContact CA-O 3.32Å; H525-S607 PolarHBondContact ND1-OG 3.38Å; H525-I650 CarbonylContact O-C 3.43Å; H525-I650 WeakPolarHBondContact O-CA 3.29Å; H525-V651 HydrophobicContact CB-CB 4.25Å; H525-V651 PolarHBondContact N-O 3.39Å; H525-V651 PolarHBondContact O-N 3.44Å; H525-M654 HydrophobicContact CB-CE 3.73Å; H525-M654 HydrophobicContact CB-CG 4.29Å
526L92.2Very high84.5Confident0 Ų042.5 Ų42.50%022%0.221CC..EExtended strand (participates in β ladder)trans-98.799.3168.5177.860.6000108.8C528 L533 L538 I542 L604 I605 L606 S607 W648 R649 I650L526-C528 HydrophobicContact CG-CB 4.37Å; L526-C528 PolarHBondContact O-N 3.42Å; L526-L533 HydrophobicContact CD2-CD2 4.34Å; L526-L538 HydrophobicContact CD2-CD1 4.06Å; L526-I542 HydrophobicContact CD1-CD1 3.9Å; L526-I542 HydrophobicContact CD2-CD1 4.15Å; L526-L604 HydrophobicContact CB-CB 4.45Å; L526-I605 PolarHBondContact N-O 3.23Å; L526-L606 HydrophobicContact CB-CD2 4.23Å; L526-L606 HydrophobicContact CD2-CD2 3.82Å; L526-L606 HydrophobicContact CG-CD2 4.29Å; L526-S607 PolarHBondContact O-N 2.75Å; L526-W648 HydrophobicContact CD1-CB 4.3Å; L526-W648 HydrophobicContact CD1-CE3 4.21Å; L526-R649 CarbonylContact C-O 3.51Å; L526-R649 WeakPolarHBondContact CA-O 3.49Å; L526-I650 HydrophobicContact CD1-CG1 4.39Å
527L93Very high84.7Confident15 Ų1543.9 Ų43.98%0.07923%0.228CC..EExtended strand (participates in β ladder)trans-72.5120.7170.9-170.281.1000108.4S607 I609 L617 W648 R649 V651 M654L527-S607 WeakPolarHBondContact CA-O 3.48Å; L527-S607 WeakPolarHBondContact CD1-O 3.4Å; L527-I609 HydrophobicContact CD1-CG2 3.66Å; L527-I609 HydrophobicContact CD2-CD1 4.42Å; L527-I609 HydrophobicContact CG-CD1 4.23Å; L527-I609 HydrophobicContact CG-CG2 4.25Å; L527-L617 HydrophobicContact CD2-CD1 3.93Å; L527-L617 HydrophobicContact CD2-CD2 4Å; L527-W648 CarbonylContact O-C 3.16Å; L527-W648 WeakPolarHBondContact O-CA 3.35Å; L527-R649 HydrophobicContact CB-CB 4.4Å; L527-R649 PolarHBondContact N-O 3.21Å; L527-R649 PolarHBondContact O-N 3.22Å; L527-V651 HydrophobicContact CB-CG2 4.35Å; L527-M654 HydrophobicContact CD1-CE 4.04Å
528C92.2Very high85.5Confident0 Ų038.5 Ų38.50%020%0.199CC..EExtended strand (participates in β ladder)trans-159.6159.9-177.963.30000113.4L526 P530 L533 S607 C608 I609 W648L526-C528 HydrophobicContact CG-CB 4.37Å; L526-C528 PolarHBondContact O-N 3.42Å; C528-P530 WeakPolarHBondContact O-CD 3.46Å; C528-L533 HydrophobicContact CB-CD1 4.13Å; C528-S607 PolarHBondContact N-O 3.2Å; C528-C608 CarbonylContact O-C 3.54Å; C528-C608 VanDerWaalsContact O-CA 3.27Å; C528-C608 WeakPolarHBondContact O-CA 3.4Å; C528-I609 WeakPolarHBondContact O-CG1 3.38Å; C528-I609 PolarHBondContact O-N 3.44Å; C528-W648 HydrophobicContact CB-CB 4.04Å
529A92.1Very high86.4Confident0 Ų037.5 Ų37.50%018%0.183CC..  trans-90.5110.5161.200000109.9E531 L532 L533 I609 V611 A614A529-E531 PolarHBondContact O-N 3.21Å; A529-E531 VanDerWaalsContact O-N 3.13Å; A529-L532 HydrophobicContact CB-CB 4.33Å; A529-L532 HydrophobicContact CB-CD1 4.17Å; A529-L532 HydrophobicContact CB-CG 4.14Å; A529-L532 PolarHBondContact O-N 3.05Å; A529-L533 PolarHBondContact O-N 3.34Å; A529-L533 VanDerWaalsContact O-N 3.15Å; A529-I609 WeakPolarHBondContact CA-O 3.29Å; A529-V611 HydrophobicContact CB-CG2 4.35Å; A529-A614 HydrophobicContact CB-CB 3.73Å
530P92.7Very high87.1Confident8 Ų838.9 Ų38.95%0.05219%0.189CC..THydrogen-bonded Turntrans-59-26.3-175.4-25.936.2000114.5C528 L532 T579 L580 A581 C608C528-P530 WeakPolarHBondContact O-CD 3.46Å; P530-L532 VanDerWaalsContact C-N 3.3Å; P530-T579 WeakPolarHBondContact O-CB 3.41Å; P530-L580 HydrophobicContact CB-CB 4.09Å; P530-L580 PolarHBondContact O-N 3.11Å; P530-A581 HydrophobicContact CB-CB 4.16Å; P530-A581 PolarHBondContact O-N 3.11Å; P530-C608 HydrophobicContact CG-CB 3.69Å; P530-C608 WeakPolarHBondContact CG-SG 3.36Å
531E92.5Very high87.9Confident105 Ų10537.6 Ų37.649%0.49119%0.185SC..THydrogen-bonded Turntrans-77.6-15.1179.7-53.981.5-179.900113.1A529 T579 A581 V611A529-E531 PolarHBondContact O-N 3.21Å; A529-E531 VanDerWaalsContact O-N 3.13Å; E531-T579 WeakPolarHBondContact O-CG2 3.33Å; E531-A581 HydrophobicContact CG-CB 4.11Å; E531-V611 HydrophobicContact CB-CG2 4.21Å
532L88.8Confident89Confident63 Ų6332.2 Ų32.233%0.3316%0.156SC..THydrogen-bonded Turntrans-108.4-24.1179.2-59.3-175.3000112.8A529 P530 T534 V611 T647A529-L532 HydrophobicContact CB-CB 4.33Å; A529-L532 HydrophobicContact CB-CD1 4.17Å; A529-L532 HydrophobicContact CB-CG 4.14Å; A529-L532 PolarHBondContact O-N 3.05Å; P530-L532 VanDerWaalsContact C-N 3.3Å; L532-T534 PolarHBondContact O-N 2.98Å; L532-V611 HydrophobicContact CD1-CG1 4.14Å; L532-V611 HydrophobicContact CD2-CG1 4.49Å; L532-V611 HydrophobicContact CG-CG1 4.5Å; L532-V611 HydrophobicContact CG-CG2 4.25Å; L532-T647 HydrophobicContact CD1-CG2 3.72Å
533L91.4Very high90.2Very high0 Ų030.1 Ų30.10%014%0.141CC..  trans-86103.9-175.7-158.1109000110.5L526 C528 A529 I537 L538 I542 T579 L580 W648L526-L533 HydrophobicContact CD2-CD2 4.34Å; C528-L533 HydrophobicContact CB-CD1 4.13Å; A529-L533 PolarHBondContact O-N 3.34Å; A529-L533 VanDerWaalsContact O-N 3.15Å; L533-I537 HydrophobicContact CD1-CG2 3.98Å; L533-I537 HydrophobicContact CG-CG2 4.21Å; L533-L538 HydrophobicContact CD2-CB 4.04Å; L533-I542 HydrophobicContact CD1-CD1 3.91Å; L533-I542 HydrophobicContact CD2-CD1 4.17Å; L533-T579 CarbonylContact O-C 3.57Å; L533-T579 WeakPolarHBondContact O-CA 3.48Å; L533-L580 HydrophobicContact CB-CD1 4.29Å; L533-L580 HydrophobicContact CB-CG 4.22Å; L533-L580 HydrophobicContact CD2-CD1 3.43Å; L533-L580 VanDerWaalsContact CD2-CD1 3.43Å; L533-L580 HydrophobicContact CD2-CD2 4.25Å; L533-L580 HydrophobicContact CD2-CG 3.78Å; L533-L580 HydrophobicContact CG-CD1 4.47Å; L533-L580 PolarHBondContact O-N 3.28Å; L533-W648 HydrophobicContact CD1-CB 3.53Å; L533-W648 HydrophobicContact CD1-CG 3.67Å
534T94Very high90.7Very high28 Ų2828.5 Ų28.517%0.17214%0.135CC..BIsolated β-bridgetrans-76.7157.8172.262.50000111.5L532 R536 I537 L538 K578 T579L532-T534 PolarHBondContact O-N 2.98Å; T534-R536 PolarHBondContact O-N 2.95Å; T534-I537 PolarHBondContact O-N 3.17Å; T534-I537 VanDerWaalsContact O-N 3.15Å; T534-I537 WeakPolarHBondContact OG1-CG1 3.47Å; T534-I537 PolarHBondContact OG1-N 3.07Å; T534-L538 PolarHBondContact O-N 3.16Å; T534-K578 WeakPolarHBondContact CA-O 3.25Å; T534-T579 HydrophobicContact CG2-CG2 4.25Å
535L94.8Very high90.4Very high0 Ų034.9 Ų34.90%016%0.158CC..Hα-helixtrans-59.9-32.1171.6-69.9-174.9000112L538 R539 L563 I564 T575 L576 K578 L580 F583L535-L538 HydrophobicContact CD2-CD2 4.25Å; L535-L538 PolarHBondContact O-N 2.87Å; L535-R539 WeakPolarHBondContact O-CB 3.38Å; L535-R539 PolarHBondContact O-N 3.38Å; L535-L563 HydrophobicContact CD1-CB 4.32Å; L535-L563 WeakPolarHBondContact CD1-O 3.4Å; L535-L563 HydrophobicContact CD2-CB 4.07Å; L535-L563 HydrophobicContact CD2-CD1 4.37Å; L535-I564 HydrophobicContact CB-CD1 4.48Å; L535-I564 HydrophobicContact CB-CG1 4.43Å; L535-I564 HydrophobicContact CD2-CD1 4.44Å; L535-I564 HydrophobicContact CD2-CG1 4.49Å; L535-T575 HydrophobicContact CD1-CG2 4.18Å; L535-L576 HydrophobicContact CB-CD2 4.44Å; L535-L576 PolarHBondContact N-O 3.16Å; L535-K578 PolarHBondContact N-O 3.3Å; L535-L580 HydrophobicContact CD2-CD2 3.8Å; L535-F583 HydrophobicContact CD1-CD2 4.3Å; L535-F583 HydrophobicContact CD1-CE1 4.46Å; L535-F583 HydrophobicContact CD1-CE2 3.37Å; L535-F583 HydrophobicContact CD1-CZ 3.47Å; L535-F583 VanDerWaalsContact CD1-CZ 3.47Å; L535-F583 HydrophobicContact CD2-CE2 4.42Å; L535-F583 HydrophobicContact CG-CD2 4.49Å; L535-F583 HydrophobicContact CG-CE2 3.81Å; L535-F583 HydrophobicContact CG-CZ 4.4Å
536R91.6Very high90Very high60 Ų6038 Ų3823%0.22617%0.172CC..Hα-helixtrans-60.5-47172.2-167.1177.9-53.5-109.4-7112.2T534 R539 D540 E573 L576 N577T534-R536 PolarHBondContact O-N 2.95Å; R536-R539 PolarHBondContact O-N 3.39Å; R536-D540 WeakPolarHBondContact CG-OD2 3.4Å; R536-D540 WeakPolarHBondContact O-CB 3.3Å; R536-D540 PolarHBondContact O-N 2.89Å; R536-E573 IonicContact CZ-OE2 3.43Å; R536-E573 VanDerWaalsContact CZ-OE2 3.23Å; R536-E573 IonicContact NH1-OE1 2.75Å; R536-E573 IonicContact NH1-OE2 3.93Å; R536-E573 PolarHBondContact NH1-OE2 3.34Å; R536-E573 IonicContact NH2-OE1 2.91Å; R536-E573 IonicContact NH2-OE2 2.87Å; R536-E573 PolarHBondContact NH2-OE2 2.89Å; R536-L576 HydrophobicContact CB-CB 4.37Å; R536-L576 WeakPolarHBondContact CB-O 3.42Å; R536-L576 PolarHBondContact N-O 3.12Å; R536-N577 PolarHBondContact NE-OD1 2.79Å; R536-N577 VanDerWaalsContact NE-OD1 3.16Å; R536-N577 PolarHBondContact NH2-OD1 3.44Å
537I90.1Very high89.7Confident39 Ų3938.5 Ų38.520%0.218%0.175CC..Iπ-helixtrans-62.2-45.6176.6-70.2168.4000110.3L533 T534 R539 R541 I542L533-I537 HydrophobicContact CD1-CG2 3.98Å; L533-I537 HydrophobicContact CG-CG2 4.21Å; T534-I537 PolarHBondContact O-N 3.17Å; T534-I537 VanDerWaalsContact O-N 3.15Å; T534-I537 WeakPolarHBondContact OG1-CG1 3.47Å; T534-I537 PolarHBondContact OG1-N 3.07Å; I537-R539 PolarHBondContact O-N 3.2Å; I537-R541 HydrophobicContact CG2-CB 4.36Å; I537-R541 WeakPolarHBondContact O-CA 3.3Å; I537-R541 WeakPolarHBondContact O-CB 3.48Å; I537-R541 PolarHBondContact O-N 3.29Å; I537-I542 PolarHBondContact O-N 3.02Å
538L94Very high89.2Confident0 Ų038.6 Ų38.60%018%0.18CC..Iπ-helixtrans-56-52176.2177.661000111.3L526 L533 T534 L535 I542 L543 V554 I564 L580 L591 L604L526-L538 HydrophobicContact CD2-CD1 4.06Å; L533-L538 HydrophobicContact CD2-CB 4.04Å; T534-L538 PolarHBondContact O-N 3.16Å; L535-L538 HydrophobicContact CD2-CD2 4.25Å; L535-L538 PolarHBondContact O-N 2.87Å; L538-I542 HydrophobicContact CD1-CB 4.28Å; L538-I542 HydrophobicContact CD1-CD1 3.88Å; L538-I542 VanDerWaalsContact O-CB 3.29Å; L538-I542 WeakPolarHBondContact O-CB 3.39Å; L538-I542 PolarHBondContact O-N 2.73Å; L538-L543 HydrophobicContact CD1-CD1 4.49Å; L538-L543 HydrophobicContact CD1-CG 4.29Å; L538-L543 HydrophobicContact CG-CD1 4.26Å; L538-L543 HydrophobicContact CG-CG 4.46Å; L538-L543 WeakPolarHBondContact O-CG 3.2Å; L538-L543 PolarHBondContact O-N 3.14Å; L538-V554 HydrophobicContact CD2-CG1 4.46Å; L538-I564 HydrophobicContact CD2-CD1 4.22Å; L538-I564 HydrophobicContact CG-CD1 4.38Å; L538-L580 HydrophobicContact CD2-CD2 4.26Å; L538-L591 HydrophobicContact CD2-CD1 4.03Å; L538-L604 HydrophobicContact CD1-CD1 4.45Å
539R93Very high89Confident58 Ų5838.7 Ų38.722%0.21918%0.18CC..Iπ-helixtrans-62.9-59.2-179.3-169.8-168.865.5-170.1-5.9111.8L535 R536 I537 L543 I544 P552 I564L535-R539 WeakPolarHBondContact O-CB 3.38Å; L535-R539 PolarHBondContact O-N 3.38Å; R536-R539 PolarHBondContact O-N 3.39Å; I537-R539 PolarHBondContact O-N 3.2Å; R539-L543 PolarHBondContact O-N 3.07Å; R539-I544 HydrophobicContact CG-CD1 4.01Å; R539-I544 WeakPolarHBondContact O-CB 3.39Å; R539-I544 WeakPolarHBondContact O-CG1 3.33Å; R539-I544 PolarHBondContact O-N 3.39Å; R539-P552 HydrophobicContact CG-CG 3.81Å; R539-I564 HydrophobicContact CB-CD1 3.87Å; R539-I564 HydrophobicContact CG-CD1 4.46Å; R539-I564 HydrophobicContact CG-CG2 4.25Å
540D85.6Confident88.7Confident53 Ų5340.9 Ų40.928%0.28319%0.192SC..Iπ-helixtrans-80.2-46.6-165.3-63.5-23.9000111.8R536 R545R536-D540 WeakPolarHBondContact CG-OD2 3.4Å; R536-D540 WeakPolarHBondContact O-CB 3.3Å; R536-D540 PolarHBondContact O-N 2.89Å; D540-R545 WeakPolarHBondContact O-CB 3.5Å; D540-R545 PolarHBondContact O-N 3.28Å
541R84Confident88.6Confident53 Ų5341.3 Ų41.320%0.220%0.195CC..Iπ-helixtrans-85.5-40.4-174.4-59.9-169.2175.6-160.6-5.3112.3D213 I537 R545 H546 E646 W648D213-R541 IonicContact OD1-CZ 3.96Å; D213-R541 IonicContact OD1-NH2 3.1Å; D213-R541 PolarHBondContact OD1-NH2 2.88Å; D213-R541 IonicContact OD2-CZ 3.92Å; D213-R541 IonicContact OD2-NH2 4Å; D213-R541 PolarHBondContact OD2-NH2 2.72Å; I537-R541 HydrophobicContact CG2-CB 4.36Å; I537-R541 WeakPolarHBondContact O-CA 3.3Å; I537-R541 WeakPolarHBondContact O-CB 3.48Å; I537-R541 PolarHBondContact O-N 3.29Å; R541-R545 WeakPolarHBondContact O-CB 3.42Å; R541-H546 WeakPolarHBondContact O-CB 3.14Å; R541-H546 PolarHBondContact O-N 3.46Å; R541-H546 VanDerWaalsContact O-N 3.07Å; R541-E646 IonicContact NH1-OE1 2.73Å; R541-W648 HydrophobicContact CB-CZ2 4.03Å
542I89.5Confident88.7Confident0 Ų036.6 Ų36.60%017%0.174CC..Iπ-helixtrans-89.5-61-174.4-47.3178000110.8L526 L533 I537 L538 H546 L547 W648 I650L526-I542 HydrophobicContact CD1-CD1 3.9Å; L526-I542 HydrophobicContact CD2-CD1 4.15Å; L533-I542 HydrophobicContact CD1-CD1 3.91Å; L533-I542 HydrophobicContact CD2-CD1 4.17Å; I537-I542 PolarHBondContact O-N 3.02Å; L538-I542 HydrophobicContact CD1-CB 4.28Å; L538-I542 HydrophobicContact CD1-CD1 3.88Å; L538-I542 VanDerWaalsContact O-CB 3.29Å; L538-I542 WeakPolarHBondContact O-CB 3.39Å; L538-I542 PolarHBondContact O-N 2.73Å; I542-H546 VanDerWaalsContact O-CB 3.3Å; I542-H546 WeakPolarHBondContact O-CB 3.42Å; I542-H546 PolarHBondContact O-N 3.46Å; I542-L547 PolarHBondContact O-N 3.31Å; I542-W648 HydrophobicContact CB-CH2 4.32Å; I542-W648 HydrophobicContact CB-CZ3 4.26Å; I542-W648 HydrophobicContact CD1-CD2 3.67Å; I542-W648 HydrophobicContact CD1-CE3 3.78Å; I542-W648 HydrophobicContact CD1-CG 4.01Å; I542-W648 HydrophobicContact CD1-CZ3 4.31Å; I542-W648 HydrophobicContact CG1-CD2 3.7Å; I542-W648 HydrophobicContact CG1-CE3 3.69Å; I542-W648 HydrophobicContact CG1-CG 4.47Å; I542-W648 HydrophobicContact CG1-CH2 3.74Å; I542-W648 HydrophobicContact CG1-CZ2 3.73Å; I542-W648 HydrophobicContact CG1-CZ3 3.72Å; I542-W648 HydrophobicContact CG2-CE3 4.35Å; I542-W648 HydrophobicContact CG2-CH2 4.47Å; I542-W648 HydrophobicContact CG2-CZ3 4Å; I542-I650 HydrophobicContact CG2-CD1 3.81Å; I542-I650 HydrophobicContact CG2-CG1 4.24Å
543L91.4Very high89Confident0 Ų034.8 Ų34.80%017%0.165CC..Iπ-helixtrans-73.9-49-171.8-60.9-179.6000112L538 R539 L547 G548 M549 P552 V554 C593 L604L538-L543 HydrophobicContact CD1-CD1 4.49Å; L538-L543 HydrophobicContact CD1-CG 4.29Å; L538-L543 HydrophobicContact CG-CD1 4.26Å; L538-L543 HydrophobicContact CG-CG 4.46Å; L538-L543 WeakPolarHBondContact O-CG 3.2Å; L538-L543 PolarHBondContact O-N 3.14Å; R539-L543 PolarHBondContact O-N 3.07Å; L543-L547 HydrophobicContact CD2-CD1 3.9Å; L543-L547 CarbonylContact O-C 3.56Å; L543-L547 WeakPolarHBondContact O-CB 3.39Å; L543-G548 PolarHBondContact O-N 3.27Å; L543-G548 VanDerWaalsContact O-N 3.16Å; L543-M549 HydrophobicContact CB-SD 3.89Å; L543-M549 HydrophobicContact CD2-SD 4.1Å; L543-M549 HydrophobicContact CG-SD 4.39Å; L543-M549 WeakPolarHBondContact O-CB 3.43Å; L543-M549 PolarHBondContact O-N 2.9Å; L543-P552 HydrophobicContact CB-CB 4.06Å; L543-P552 HydrophobicContact CB-CG 4.17Å; L543-P552 HydrophobicContact CD1-CB 3.78Å; L543-P552 HydrophobicContact CD1-CG 4.28Å; L543-V554 HydrophobicContact CD1-CG2 3.34Å; L543-C593 HydrophobicContact CD1-CB 4.33Å; L543-C593 HydrophobicContact CD2-CB 3.95Å; L543-L604 HydrophobicContact CD2-CD1 3.96Å
544I86.4Confident89.3Confident60 Ų6034.8 Ų34.831%0.30817%0.165SC..Iπ-helixtrans-77.5-61.3-178.6-65.6170.6000110.7R539 G548 M549 P552R539-I544 HydrophobicContact CG-CD1 4.01Å; R539-I544 WeakPolarHBondContact O-CB 3.39Å; R539-I544 WeakPolarHBondContact O-CG1 3.33Å; R539-I544 PolarHBondContact O-N 3.39Å; I544-G548 WeakPolarHBondContact O-CA 3.2Å; I544-G548 PolarHBondContact O-N 2.89Å; I544-M549 WeakPolarHBondContact CA-O 3.38Å; I544-P552 HydrophobicContact CD1-CG 4.3Å; I544-P552 HydrophobicContact CG1-CG 4.04Å
545R79Confident89.4Confident147 Ų14736.5 Ų36.556%0.55517%0.171SC*.Iπ-helixtrans-72.1-46.4-171.4-171.7177.5-166.5148.21.6113.3D540 R541D540-R545 WeakPolarHBondContact O-CB 3.5Å; D540-R545 PolarHBondContact O-N 3.28Å; R541-R545 WeakPolarHBondContact O-CB 3.42Å
546H81.7Confident89.4Confident109 Ų10936.5 Ų36.551%0.50517%0.171SC..Iπ-helixtrans-83.2-48.4-176.6-170.289.2000112.7R541 I542 W648R541-H546 WeakPolarHBondContact O-CB 3.14Å; R541-H546 PolarHBondContact O-N 3.46Å; R541-H546 VanDerWaalsContact O-N 3.07Å; I542-H546 VanDerWaalsContact O-CB 3.3Å; I542-H546 WeakPolarHBondContact O-CB 3.42Å; I542-H546 PolarHBondContact O-N 3.46Å; H546-W648 HydrophobicContact CB-CH2 4.21Å
547L85.7Confident89.4Confident11 Ų1136.6 Ų36.66%0.05818%0.179CC..THydrogen-bonded Turntrans-89.4-9.6-178.1-65.3173.2000114.2R116 L513 I542 L543 I602 I650R116-L547 PolarHBondContact NH1-O 2.85Å; R116-L547 PolarHBondContact NH2-O 3.38Å; L513-L547 HydrophobicContact CD1-CD2 4.15Å; I542-L547 PolarHBondContact O-N 3.31Å; L543-L547 HydrophobicContact CD2-CD1 3.9Å; L543-L547 CarbonylContact O-C 3.56Å; L543-L547 WeakPolarHBondContact O-CB 3.39Å; L547-I602 HydrophobicContact CB-CD1 4.49Å; L547-I602 HydrophobicContact CD1-CD1 3.84Å; L547-I602 HydrophobicContact CD2-CD1 3.97Å; L547-I602 HydrophobicContact CG-CD1 4.33Å; L547-I650 HydrophobicContact CD1-CD1 3.73Å; L547-I650 HydrophobicContact CD2-CD1 3.74Å; L547-I650 HydrophobicContact CG-CD1 3.79Å
548G81.8Confident89.3Confident17 Ų1740.1 Ų40.118%0.17520%0.199CC..  trans75.823.2173.100000114.8R116 L543 I544 Q598R116-G548 PolarHBondContact NH1-O 3.38Å; L543-G548 PolarHBondContact O-N 3.27Å; L543-G548 VanDerWaalsContact O-N 3.16Å; I544-G548 WeakPolarHBondContact O-CA 3.2Å; I544-G548 PolarHBondContact O-N 2.89Å; G548-Q598 PolarHBondContact O-OE1 2.75Å
549M89.4Confident89.2Confident2 Ų245.1 Ų45.11%0.0122%0.217CC..  trans-69.7152.2171.4-67177.7162.200110.8L543 I544 P552 C593 D595 F600 I602L543-M549 HydrophobicContact CB-SD 3.89Å; L543-M549 HydrophobicContact CD2-SD 4.1Å; L543-M549 HydrophobicContact CG-SD 4.39Å; L543-M549 WeakPolarHBondContact O-CB 3.43Å; L543-M549 PolarHBondContact O-N 2.9Å; I544-M549 WeakPolarHBondContact CA-O 3.38Å; M549-P552 HydrophobicContact CB-CB 4.28Å; M549-P552 HydrophobicContact SD-CB 3.86Å; M549-C593 HydrophobicContact CE-CB 4.02Å; M549-C593 WeakPolarHBondContact CE-O 3.27Å; M549-C593 HydrophobicContact SD-CB 4.44Å; M549-D595 VanDerWaalsContact CA-OD2 3.29Å; M549-D595 WeakPolarHBondContact CA-OD2 3.26Å; M549-D595 HydrophobicContact CB-CB 4.18Å; M549-D595 HydrophobicContact CE-CB 4.5Å; M549-D595 HydrophobicContact CG-CB 3.96Å; M549-D595 HydrophobicContact SD-CB 4.4Å; M549-F600 HydrophobicContact CE-CD1 3.71Å; M549-F600 HydrophobicContact CE-CE1 3.99Å; M549-F600 HydrophobicContact CG-CD1 4.01Å; M549-F600 HydrophobicContact CG-CE1 4.32Å; M549-I602 HydrophobicContact CE-CB 4.39Å
550L85.1Confident89Confident46 Ų4645.4 Ų45.424%0.24124%0.238CC..SBendtrans-97.1-45.7176.9-62.8175.1000112.5F86 D595 R597 Q598F86-L550 HydrophobicContact CD1-CD1 3.6Å; F86-L550 HydrophobicContact CD1-CD2 3.47Å; F86-L550 VanDerWaalsContact CD1-CD2 3.47Å; F86-L550 HydrophobicContact CD1-CG 4.19Å; F86-L550 HydrophobicContact CE1-CD1 4.24Å; F86-L550 HydrophobicContact CE1-CD2 3.5Å; F86-L550 HydrophobicContact CE1-CG 4.48Å; F86-L550 HydrophobicContact CG-CD2 4.36Å; F86-L550 HydrophobicContact CZ-CD2 4.43Å; L550-D595 PolarHBondContact N-OD2 2.98Å; L550-R597 HydrophobicContact CD1-CB 4.49Å; L550-Q598 HydrophobicContact CD1-CG 3.65Å; L550-Q598 HydrophobicContact CG-CG 3.98Å; L550-Q598 VanDerWaalsContact CG-NE2 3.3Å
551A90.2Very high89.3Confident16 Ų1645.9 Ų45.913%0.13224%0.24CC..SBendtrans-145.680.3-175.300000108.1R597A551-R597 HydrophobicContact CB-CG 4.45Å
552P94.3Very high89.8Confident6 Ų648.6 Ų48.64%0.03926%0.258CS..  trans-76.1133.2-174.730.1-34.7000111.8R539 L543 I544 M549 I564 D594R539-P552 HydrophobicContact CG-CG 3.81Å; L543-P552 HydrophobicContact CB-CB 4.06Å; L543-P552 HydrophobicContact CB-CG 4.17Å; L543-P552 HydrophobicContact CD1-CB 3.78Å; L543-P552 HydrophobicContact CD1-CG 4.28Å; I544-P552 HydrophobicContact CD1-CG 4.3Å; I544-P552 HydrophobicContact CG1-CG 4.04Å; M549-P552 HydrophobicContact CB-CB 4.28Å; M549-P552 HydrophobicContact SD-CB 3.86Å; P552-I564 WeakPolarHBondContact O-CG2 3.19Å; P552-D594 CarbonylContact C-O 3.58Å; P552-D594 WeakPolarHBondContact CA-O 3.46Å
553D96Very high90.1Very high25 Ų2548.8 Ų48.813%0.13426%0.258CS..EExtended strand (participates in β ladder)trans-101.2135.5162.2-69.7-78.5000108.6I564 S565 S566 C593 D594 F596D553-I564 CarbonylContact C-O 3.55Å; D553-I564 WeakPolarHBondContact CA-O 3.34Å; D553-S565 VanDerWaalsContact OD1-CA 3.27Å; D553-S565 WeakPolarHBondContact OD1-CA 3.37Å; D553-S566 PolarHBondContact OD1-N 3.33Å; D553-S566 PolarHBondContact OD1-OG 3Å; D553-S566 WeakPolarHBondContact OD2-CB 3.31Å; D553-S566 PolarHBondContact OD2-OG 3.47Å; D553-C593 CarbonylContact O-C 3.58Å; D553-C593 WeakPolarHBondContact O-CA 3.46Å; D553-D594 PolarHBondContact N-O 3.31Å; D553-D594 PolarHBondContact O-N 2.91Å; D553-F596 HydrophobicContact CB-CE2 3.93Å; D553-F596 VanDerWaalsContact OD2-CD2 3.29Å; D553-F596 WeakPolarHBondContact OD2-CD2 3.22Å; D553-F596 WeakPolarHBondContact OD2-CE2 3.5Å
554V96.8Very high90.3Very high1 Ų148.9 Ų48.91%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-128.3119-178.7-174.70000110.1L538 L543 L563 I564 L591 Q592 C593L538-V554 HydrophobicContact CD2-CG1 4.46Å; L543-V554 HydrophobicContact CD1-CG2 3.34Å; V554-L563 HydrophobicContact CB-CB 4.38Å; V554-L563 HydrophobicContact CG1-CB 4.32Å; V554-L563 HydrophobicContact CG1-CD1 4.14Å; V554-L563 PolarHBondContact O-N 3.07Å; V554-I564 HydrophobicContact CB-CB 4Å; V554-I564 HydrophobicContact CB-CD1 4.19Å; V554-I564 HydrophobicContact CB-CG1 4.37Å; V554-I564 HydrophobicContact CG2-CB 4.01Å; V554-I564 HydrophobicContact CG2-CD1 3.75Å; V554-I564 HydrophobicContact CG2-CG1 4.34Å; V554-I564 PolarHBondContact N-O 2.78Å; V554-I564 PolarHBondContact O-N 3.43Å; V554-L591 HydrophobicContact CG1-CB 4.18Å; V554-L591 HydrophobicContact CG1-CD1 4.45Å; V554-Q592 WeakPolarHBondContact CA-O 3.49Å; V554-C593 HydrophobicContact CG2-CB 4.49Å
555E95.9Very high90.7Very high64 Ų6446.8 Ų46.830%0.29925%0.25SC..EExtended strand (participates in β ladder)trans-119.7158.9175.268.5170.7-166.800112.7P557 I561 L591 Q592E555-P557 HydrophobicContact CG-CG 4.2Å; E555-P557 WeakPolarHBondContact O-CD 3.39Å; E555-I561 CarbonylContact C-O 3.55Å; E555-I561 WeakPolarHBondContact CA-O 3.01Å; E555-L591 WeakPolarHBondContact O-CA 3.48Å; E555-Q592 HydrophobicContact CG-CB 3.77Å; E555-Q592 HydrophobicContact CG-CG 4.48Å; E555-Q592 PolarHBondContact N-O 3.41Å; E555-Q592 PolarHBondContact O-N 3.1Å; E555-Q592 VanDerWaalsContact OE1-CD 3.23Å; E555-Q592 PolarHBondContact OE1-NE2 3.26Å; E555-Q592 PolarHBondContact OE1-OE1 2.85Å
556V96.1Very high91.3Very high0 Ų042.5 Ų42.50%024%0.242CC..EExtended strand (participates in β ladder)trans-11091.1171-178.20000107D558 R559 G560 I561 L563 L585 T589 L591V556-D558 VanDerWaalsContact C-N 3.28Å; V556-D558 WeakPolarHBondContact CG1-OD1 3.49Å; V556-D558 PolarHBondContact O-N 2.83Å; V556-R559 HydrophobicContact CG1-CB 4.06Å; V556-R559 HydrophobicContact CG1-CG 3.97Å; V556-R559 PolarHBondContact O-N 3.22Å; V556-G560 PolarHBondContact O-N 3.22Å; V556-I561 HydrophobicContact CB-CB 4.37Å; V556-I561 PolarHBondContact N-O 2.83Å; V556-L563 HydrophobicContact CG2-CD1 3.64Å; V556-L563 HydrophobicContact CG2-CD2 4.44Å; V556-L563 HydrophobicContact CG2-CG 3.95Å; V556-L585 HydrophobicContact CG1-CD2 4.46Å; V556-L585 HydrophobicContact CG2-CD2 3.85Å; V556-T589 HydrophobicContact CG1-CG2 4.01Å; V556-L591 HydrophobicContact CG2-CD2 3.81Å
557P91.1Very high91.6Very high61 Ų6143.4 Ų43.440%0.39625%0.247SC..THydrogen-bonded Turntrans-61.5-33.4-164.1-24.533.5000114E555 R559 C590 Q592E555-P557 HydrophobicContact CG-CG 4.2Å; E555-P557 WeakPolarHBondContact O-CD 3.39Å; P557-R559 PolarHBondContact O-N 3.42Å; P557-C590 WeakPolarHBondContact CD-O 3.07Å; P557-Q592 HydrophobicContact CG-CB 3.82Å
558D89.2Confident91.3Very high114 Ų11451.5 Ų51.561%0.6128%0.284SS*.THydrogen-bonded Turntrans-69.5-19.2179.263.2-45.6000113.2V556V556-D558 VanDerWaalsContact C-N 3.28Å; V556-D558 WeakPolarHBondContact CG1-OD1 3.49Å; V556-D558 PolarHBondContact O-N 2.83Å
559R91.9Very high91.1Very high104 Ų10458.6 Ų58.639%0.39232%0.318SS..THydrogen-bonded Turntrans-113.6-13.1-179.9-57.4-176.8-174-178.81.8113.4V556 P557 I561 K584V556-R559 HydrophobicContact CG1-CB 4.06Å; V556-R559 HydrophobicContact CG1-CG 3.97Å; V556-R559 PolarHBondContact O-N 3.22Å; P557-R559 PolarHBondContact O-N 3.42Å; R559-I561 HydrophobicContact CB-CB 4.46Å; R559-I561 HydrophobicContact CB-CD1 3.69Å; R559-I561 HydrophobicContact CB-CG1 3.78Å; R559-I561 HydrophobicContact CG-CD1 4.45Å; R559-I561 PolarHBondContact O-N 3.09Å; R559-K584 PolarHBondContact NH1-O 3.43Å; R559-K584 PolarHBondContact NH2-O 2.64Å
560G88.2Confident91Very high64 Ų6464 Ų6466%0.6634%0.344SS*.THydrogen-bonded Turntrans61.731.4-173.200000112.8V556V556-G560 PolarHBondContact O-N 3.22Å
561I92Very high91.1Very high64 Ų6463.1 Ų63.133%0.32834%0.34SS..EExtended strand (participates in β ladder)trans-98.4127.5179.4-62.1171.4000108.3E555 V556 R559 L563E555-I561 CarbonylContact C-O 3.55Å; E555-I561 WeakPolarHBondContact CA-O 3.01Å; V556-I561 HydrophobicContact CB-CB 4.37Å; V556-I561 PolarHBondContact N-O 2.83Å; R559-I561 HydrophobicContact CB-CB 4.46Å; R559-I561 HydrophobicContact CB-CD1 3.69Å; R559-I561 HydrophobicContact CB-CG1 3.78Å; R559-I561 HydrophobicContact CG-CD1 4.45Å; R559-I561 PolarHBondContact O-N 3.09Å; I561-L563 HydrophobicContact CG2-CD2 4.07Å
562I94Very high91.1Very high110 Ų11066.4 Ų66.456%0.56436%0.355SS*.EExtended strand (participates in β ladder)trans-89.2124.4168-57.7173.1000107.5I564I562-I564 WeakPolarHBondContact CG2-O 3.33Å
563L95.2Very high90.7Very high3 Ų371.4 Ų71.42%0.01638%0.378CS..EExtended strand (participates in β ladder)trans-95.1-42.1177.8-64.1175.9000111.4L535 V554 V556 I561 F583 L585 L591L535-L563 HydrophobicContact CD1-CB 4.32Å; L535-L563 WeakPolarHBondContact CD1-O 3.4Å; L535-L563 HydrophobicContact CD2-CB 4.07Å; L535-L563 HydrophobicContact CD2-CD1 4.37Å; V554-L563 HydrophobicContact CB-CB 4.38Å; V554-L563 HydrophobicContact CG1-CB 4.32Å; V554-L563 HydrophobicContact CG1-CD1 4.14Å; V554-L563 PolarHBondContact O-N 3.07Å; V556-L563 HydrophobicContact CG2-CD1 3.64Å; V556-L563 HydrophobicContact CG2-CD2 4.44Å; V556-L563 HydrophobicContact CG2-CG 3.95Å; I561-L563 HydrophobicContact CG2-CD2 4.07Å; L563-F583 HydrophobicContact CD2-CB 4.07Å; L563-F583 HydrophobicContact CD2-CD1 3.58Å; L563-F583 HydrophobicContact CD2-CD2 4.22Å; L563-F583 HydrophobicContact CD2-CE1 4.02Å; L563-F583 HydrophobicContact CD2-CG 3.69Å; L563-L585 HydrophobicContact CD1-CD1 3.7Å; L563-L585 HydrophobicContact CD2-CD1 4.39Å; L563-L591 HydrophobicContact CD1-CD2 3.93Å
564I96.1Very high90.4Very high2 Ų276.9 Ų76.91%0.0140%0.403CS..EExtended strand (participates in β ladder)trans-134.4130.9179.8-61.3160.8000106.7L535 L538 R539 P552 D553 V554 I562L535-I564 HydrophobicContact CB-CD1 4.48Å; L535-I564 HydrophobicContact CB-CG1 4.43Å; L535-I564 HydrophobicContact CD2-CD1 4.44Å; L535-I564 HydrophobicContact CD2-CG1 4.49Å; L538-I564 HydrophobicContact CD2-CD1 4.22Å; L538-I564 HydrophobicContact CG-CD1 4.38Å; R539-I564 HydrophobicContact CB-CD1 3.87Å; R539-I564 HydrophobicContact CG-CD1 4.46Å; R539-I564 HydrophobicContact CG-CG2 4.25Å; P552-I564 WeakPolarHBondContact O-CG2 3.19Å; D553-I564 CarbonylContact C-O 3.55Å; D553-I564 WeakPolarHBondContact CA-O 3.34Å; V554-I564 HydrophobicContact CB-CB 4Å; V554-I564 HydrophobicContact CB-CD1 4.19Å; V554-I564 HydrophobicContact CB-CG1 4.37Å; V554-I564 HydrophobicContact CG2-CB 4.01Å; V554-I564 HydrophobicContact CG2-CD1 3.75Å; V554-I564 HydrophobicContact CG2-CG1 4.34Å; V554-I564 PolarHBondContact N-O 2.78Å; V554-I564 PolarHBondContact O-N 3.43Å; I562-I564 WeakPolarHBondContact CG2-O 3.33Å
565S95.2Very high90.2Very high16 Ų1678 Ų7811%0.11241%0.41CS..  trans-113.2142.6170.5175.60000109.8D553 E567 E570 T571D553-S565 VanDerWaalsContact OD1-CA 3.27Å; D553-S565 WeakPolarHBondContact OD1-CA 3.37Å; S565-E567 VanDerWaalsContact C-N 3.32Å; S565-E567 PolarHBondContact OG-N 2.81Å; S565-E570 WeakPolarHBondContact CB-OE2 3.49Å; S565-E570 PolarHBondContact OG-OE2 3.08Å; S565-T571 PolarHBondContact N-OG1 3.13Å
566S91.1Very high89.9Confident57 Ų5775 Ų7540%0.39940%0.396SS..SBendtrans-80-13.2173.262.70000113.4D553D553-S566 PolarHBondContact OD1-N 3.33Å; D553-S566 PolarHBondContact OD1-OG 3Å; D553-S566 WeakPolarHBondContact OD2-CB 3.31Å; D553-S566 PolarHBondContact OD2-OG 3.47Å
567E88.2Confident89.7Confident128 Ų12879.5 Ų79.560%0.59842%0.42SS*.SBendtrans-72.9133.8174.2-66.3-161.7177.400110.9S565 D569 E570S565-E567 VanDerWaalsContact C-N 3.32Å; S565-E567 PolarHBondContact OG-N 2.81Å; E567-D569 PolarHBondContact O-N 3.06Å; E567-E570 HydrophobicContact CB-CG 3.92Å; E567-E570 PolarHBondContact O-N 3.2Å
568E79.3Confident89.9Confident182 Ų18280.1 Ų80.185%0.8542%0.416SS*.THydrogen-bonded Turntrans-57.5138.5176.4-70.7179.8177.900109.8E570E568-E570 VanDerWaalsContact C-N 3.29Å; E568-E570 PolarHBondContact O-N 3.26Å
569D78Confident90.2Very high166 Ų16675.7 Ų75.789%0.88839%0.394SS*.THydrogen-bonded Turntrans70.40.3178.8-52-38.9000117.6E567E567-D569 PolarHBondContact O-N 3.06Å
570E87.3Confident90.3Very high116 Ų11670.8 Ų70.854%0.54238%0.375SS..THydrogen-bonded Turntrans-81.9-32.5175.8-72.4-156.7149.500113.7S565 E567 E568S565-E570 WeakPolarHBondContact CB-OE2 3.49Å; S565-E570 PolarHBondContact OG-OE2 3.08Å; E567-E570 HydrophobicContact CB-CG 3.92Å; E567-E570 PolarHBondContact O-N 3.2Å; E568-E570 VanDerWaalsContact C-N 3.29Å; E568-E570 PolarHBondContact O-N 3.26Å
571T87.3Confident90.6Very high27 Ų2769.4 Ų69.417%0.16636%0.357CS..SBendtrans-112.8100.2176.5-47.30000109.9S565 T575 L576S565-T571 PolarHBondContact N-OG1 3.13Å; T571-T575 HydrophobicContact CG2-CG2 4.15Å; T571-L576 HydrophobicContact CG2-CD2 3.94Å; T571-L576 HydrophobicContact CG2-CG 4.05Å
572D89.5Confident90.7Very high85 Ų8571 Ų7146%0.45537%0.367SS..  trans-70.5159.4-178.164.637.1000113.9E574 T575 L576D572-E574 PolarHBondContact O-N 2.95Å; D572-E574 PolarHBondContact OD1-N 3.33Å; D572-T575 WeakPolarHBondContact O-CB 3.45Å; D572-T575 PolarHBondContact O-N 3.32Å; D572-T575 VanDerWaalsContact O-N 3.1Å; D572-T575 WeakPolarHBondContact OD1-CA 3.35Å; D572-T575 WeakPolarHBondContact OD1-CB 3.42Å; D572-T575 PolarHBondContact OD1-N 3.1Å; D572-T575 PolarHBondContact OD1-OG1 3.1Å; D572-L576 PolarHBondContact O-N 2.68Å
573E86.5Confident90.7Very high110 Ų11068 Ų6851%0.51435%0.349SS..Hα-helixtrans-60.1-30.9-179.3-75.3-69.5124.300113.1R536 N577R536-E573 IonicContact CZ-OE2 3.43Å; R536-E573 VanDerWaalsContact CZ-OE2 3.23Å; R536-E573 IonicContact NH1-OE1 2.75Å; R536-E573 IonicContact NH1-OE2 3.93Å; R536-E573 PolarHBondContact NH1-OE2 3.34Å; R536-E573 IonicContact NH2-OE1 2.91Å; R536-E573 IonicContact NH2-OE2 2.87Å; R536-E573 PolarHBondContact NH2-OE2 2.89Å; E573-N577 VanDerWaalsContact O-CG 3.31Å; E573-N577 PolarHBondContact O-N 3.27Å; E573-N577 PolarHBondContact O-ND2 2.88Å
574E89.5Confident90.6Very high140 Ų14075.6 Ų75.665%0.65438%0.382SS*.Hα-helixtrans-67.3-41.1176.5-169.9-178.8159.500110.7D572 N577 K578D572-E574 PolarHBondContact O-N 2.95Å; D572-E574 PolarHBondContact OD1-N 3.33Å; E574-N577 PolarHBondContact O-N 3.35Å; E574-K578 PolarHBondContact O-N 3.46Å
575T92.4Very high90.5Very high26 Ų2675.7 Ų75.716%0.1638%0.383CS..Hα-helixtrans-68.8-39.6178.1-61.90000111.3L535 T571 D572 N577 K578 F583L535-T575 HydrophobicContact CD1-CG2 4.18Å; T571-T575 HydrophobicContact CG2-CG2 4.15Å; D572-T575 WeakPolarHBondContact O-CB 3.45Å; D572-T575 PolarHBondContact O-N 3.32Å; D572-T575 VanDerWaalsContact O-N 3.1Å; D572-T575 WeakPolarHBondContact OD1-CA 3.35Å; D572-T575 WeakPolarHBondContact OD1-CB 3.42Å; D572-T575 PolarHBondContact OD1-N 3.1Å; D572-T575 PolarHBondContact OD1-OG1 3.1Å; T575-N577 PolarHBondContact O-N 3.47Å; T575-K578 WeakPolarHBondContact O-CB 3.49Å; T575-K578 PolarHBondContact O-N 2.95Å; T575-F583 HydrophobicContact CG2-CE1 4.45Å; T575-F583 HydrophobicContact CG2-CZ 3.83Å
576L90.5Very high90.3Very high1 Ų178.8 Ų78.81%0.00540%0.401CS..Hα-helixtrans-60.6-28.1174.9-72.4170.7000113.3L535 R536 T571 D572L535-L576 HydrophobicContact CB-CD2 4.44Å; L535-L576 PolarHBondContact N-O 3.16Å; R536-L576 HydrophobicContact CB-CB 4.37Å; R536-L576 WeakPolarHBondContact CB-O 3.42Å; R536-L576 PolarHBondContact N-O 3.12Å; T571-L576 HydrophobicContact CG2-CD2 3.94Å; T571-L576 HydrophobicContact CG2-CG 4.05Å; D572-L576 PolarHBondContact O-N 2.68Å
577N92.4Very high90.4Very high93 Ų9382 Ų8250%0.49741%0.41SS..THydrogen-bonded Turntrans-84.4-9.9178.5-67.1-20.7000113.5R536 E573 E574 T575R536-N577 PolarHBondContact NE-OD1 2.79Å; R536-N577 VanDerWaalsContact NE-OD1 3.16Å; R536-N577 PolarHBondContact NH2-OD1 3.44Å; E573-N577 VanDerWaalsContact O-CG 3.31Å; E573-N577 PolarHBondContact O-N 3.27Å; E573-N577 PolarHBondContact O-ND2 2.88Å; E574-N577 PolarHBondContact O-N 3.35Å; T575-N577 PolarHBondContact O-N 3.47Å
578K95Very high90.6Very high74 Ų7478 Ų7832%0.32240%0.403SS..SBendtrans-72.5146.9173.4-67.5172.2-171155.70110.7T534 L535 E574 T575 D582 F583T534-K578 WeakPolarHBondContact CA-O 3.25Å; L535-K578 PolarHBondContact N-O 3.3Å; E574-K578 PolarHBondContact O-N 3.46Å; T575-K578 WeakPolarHBondContact O-CB 3.49Å; T575-K578 PolarHBondContact O-N 2.95Å; K578-D582 HydrophobicContact CB-CB 4.1Å; K578-F583 HydrophobicContact CB-CD2 4.5Å; K578-F583 HydrophobicContact CB-CE2 3.59Å; K578-F583 HydrophobicContact CB-CZ 4.08Å; K578-F583 HydrophobicContact CD-CE2 4.4Å; K578-F583 HydrophobicContact CD-CZ 4.11Å
579T95.1Very high91.3Very high22 Ų2269.7 Ų69.714%0.13536%0.364CS..BIsolated β-bridgetrans-86.1160.6180670000111.2P530 E531 L533 T534 A581 D582 F583P530-T579 WeakPolarHBondContact O-CB 3.41Å; E531-T579 WeakPolarHBondContact O-CG2 3.33Å; L533-T579 CarbonylContact O-C 3.57Å; L533-T579 WeakPolarHBondContact O-CA 3.48Å; T534-T579 HydrophobicContact CG2-CG2 4.25Å; T579-A581 PolarHBondContact O-N 3.48Å; T579-D582 PolarHBondContact N-OD2 2.91Å; T579-D582 WeakPolarHBondContact O-CB 3.27Å; T579-D582 PolarHBondContact O-N 3.18Å; T579-D582 PolarHBondContact OG1-N 3.49Å; T579-D582 PolarHBondContact OG1-OD2 3.4Å; T579-F583 VanDerWaalsContact O-CD2 3.28Å; T579-F583 WeakPolarHBondContact O-CD2 3.39Å
580L94.2Very high92.1Very high0 Ų063.1 Ų63.10%033%0.331CS..THydrogen-bonded Turntrans-58.1-31173.3-60.7-169.5000112.2P530 L533 L535 L538 D582 F583 L585 L606P530-L580 HydrophobicContact CB-CB 4.09Å; P530-L580 PolarHBondContact O-N 3.11Å; L533-L580 HydrophobicContact CB-CD1 4.29Å; L533-L580 HydrophobicContact CB-CG 4.22Å; L533-L580 HydrophobicContact CD2-CD1 3.43Å; L533-L580 VanDerWaalsContact CD2-CD1 3.43Å; L533-L580 HydrophobicContact CD2-CD2 4.25Å; L533-L580 HydrophobicContact CD2-CG 3.78Å; L533-L580 HydrophobicContact CG-CD1 4.47Å; L533-L580 PolarHBondContact O-N 3.28Å; L535-L580 HydrophobicContact CD2-CD2 3.8Å; L538-L580 HydrophobicContact CD2-CD2 4.26Å; L580-D582 VanDerWaalsContact C-N 3.34Å; L580-F583 PolarHBondContact O-N 3.19Å; L580-L585 HydrophobicContact CB-CB 4.37Å; L580-L585 HydrophobicContact CB-CD1 4.08Å; L580-L585 HydrophobicContact CD2-CD1 3.84Å; L580-L585 HydrophobicContact CG-CD1 4.43Å; L580-L585 WeakPolarHBondContact O-CB 3.38Å; L580-L585 WeakPolarHBondContact O-CG 3.39Å; L580-L585 PolarHBondContact O-N 3.03Å; L580-L606 HydrophobicContact CD1-CD1 3.99Å; L580-L606 HydrophobicContact CD1-CD2 3.93Å
581A93.4Very high92.5Very high35 Ų3557.6 Ų57.629%0.28931%0.305SS..THydrogen-bonded Turntrans-63.9-35.8174.900000112.7P530 E531 T579 F583 K584P530-A581 HydrophobicContact CB-CB 4.16Å; P530-A581 PolarHBondContact O-N 3.11Å; E531-A581 HydrophobicContact CG-CB 4.11Å; T579-A581 PolarHBondContact O-N 3.48Å; A581-F583 PolarHBondContact O-N 2.96Å; A581-K584 WeakPolarHBondContact O-CA 3.4Å; A581-K584 PolarHBondContact O-N 3.03Å
582D94.5Very high92.8Very high99 Ų9958.7 Ų58.753%0.52931%0.309SS..THydrogen-bonded Turntrans-63.3-30.5178.7-63.9-46.5000112.2K578 T579 L580 K584K578-D582 HydrophobicContact CB-CB 4.1Å; T579-D582 PolarHBondContact N-OD2 2.91Å; T579-D582 WeakPolarHBondContact O-CB 3.27Å; T579-D582 PolarHBondContact O-N 3.18Å; T579-D582 PolarHBondContact OG1-N 3.49Å; T579-D582 PolarHBondContact OG1-OD2 3.4Å; L580-D582 VanDerWaalsContact C-N 3.34Å; D582-K584 VanDerWaalsContact C-N 3.27Å; D582-K584 PolarHBondContact O-N 2.94Å
583F94.3Very high93.1Very high45 Ų4554.7 Ų54.720%0.19729%0.287CS..THydrogen-bonded Turntrans-86.25.6173.7-62.9-86.8000113.6L535 L563 T575 K578 T579 L580 A581 L585L535-F583 HydrophobicContact CD1-CD2 4.3Å; L535-F583 HydrophobicContact CD1-CE1 4.46Å; L535-F583 HydrophobicContact CD1-CE2 3.37Å; L535-F583 HydrophobicContact CD1-CZ 3.47Å; L535-F583 VanDerWaalsContact CD1-CZ 3.47Å; L535-F583 HydrophobicContact CD2-CE2 4.42Å; L535-F583 HydrophobicContact CG-CD2 4.49Å; L535-F583 HydrophobicContact CG-CE2 3.81Å; L535-F583 HydrophobicContact CG-CZ 4.4Å; L563-F583 HydrophobicContact CD2-CB 4.07Å; L563-F583 HydrophobicContact CD2-CD1 3.58Å; L563-F583 HydrophobicContact CD2-CD2 4.22Å; L563-F583 HydrophobicContact CD2-CE1 4.02Å; L563-F583 HydrophobicContact CD2-CG 3.69Å; T575-F583 HydrophobicContact CG2-CE1 4.45Å; T575-F583 HydrophobicContact CG2-CZ 3.83Å; K578-F583 HydrophobicContact CB-CD2 4.5Å; K578-F583 HydrophobicContact CB-CE2 3.59Å; K578-F583 HydrophobicContact CB-CZ 4.08Å; K578-F583 HydrophobicContact CD-CE2 4.4Å; K578-F583 HydrophobicContact CD-CZ 4.11Å; T579-F583 VanDerWaalsContact O-CD2 3.28Å; T579-F583 WeakPolarHBondContact O-CD2 3.39Å; L580-F583 PolarHBondContact O-N 3.19Å; A581-F583 PolarHBondContact O-N 2.96Å; F583-L585 HydrophobicContact CB-CD1 4.08Å; F583-L585 HydrophobicContact CB-CD2 4.25Å; F583-L585 HydrophobicContact CB-CG 3.82Å; F583-L585 PolarHBondContact O-N 3.49Å
584K93Very high93.4Very high163 Ų16350.1 Ų50.171%0.70927%0.266SS*.THydrogen-bonded Turntrans55.739.7-177.6-52.5175.4-177.8174.50112R559 A581 D582R559-K584 PolarHBondContact NH1-O 3.43Å; R559-K584 PolarHBondContact NH2-O 2.64Å; A581-K584 WeakPolarHBondContact O-CA 3.4Å; A581-K584 PolarHBondContact O-N 3.03Å; D582-K584 VanDerWaalsContact C-N 3.27Å; D582-K584 PolarHBondContact O-N 2.94Å
585L93.2Very high93.5Very high5 Ų543.5 Ų43.53%0.02624%0.235CC..  trans-84.3130.8173.3-50.2174.4000108.1V556 L563 L580 F583 T589 L591 L606V556-L585 HydrophobicContact CG1-CD2 4.46Å; V556-L585 HydrophobicContact CG2-CD2 3.85Å; L563-L585 HydrophobicContact CD1-CD1 3.7Å; L563-L585 HydrophobicContact CD2-CD1 4.39Å; L580-L585 HydrophobicContact CB-CB 4.37Å; L580-L585 HydrophobicContact CB-CD1 4.08Å; L580-L585 HydrophobicContact CD2-CD1 3.84Å; L580-L585 HydrophobicContact CG-CD1 4.43Å; L580-L585 WeakPolarHBondContact O-CB 3.38Å; L580-L585 WeakPolarHBondContact O-CG 3.39Å; L580-L585 PolarHBondContact O-N 3.03Å; F583-L585 HydrophobicContact CB-CD1 4.08Å; F583-L585 HydrophobicContact CB-CD2 4.25Å; F583-L585 HydrophobicContact CB-CG 3.82Å; F583-L585 PolarHBondContact O-N 3.49Å; L585-T589 HydrophobicContact CB-CG2 4.44Å; L585-T589 HydrophobicContact CD2-CG2 3.98Å; L585-L591 HydrophobicContact CD1-CD2 4.38Å; L585-L606 HydrophobicContact CB-CD1 3.7Å
586T90.7Very high93.5Very high80 Ų8049.3 Ų49.349%0.49126%0.259SS..  trans-124.9174.6-171.656.70000110.6G588 T589T586-G588 PolarHBondContact O-N 3.36Å; T586-T589 PolarHBondContact N-OG1 3.32Å; T586-T589 VanDerWaalsContact N-OG1 3.16Å; T586-T589 WeakPolarHBondContact O-CB 3.38Å; T586-T589 PolarHBondContact O-N 3.04Å; T586-T589 PolarHBondContact O-OG1 2.6Å
587H93.7Very high93.2Very high126 Ų12654.2 Ų54.258%0.58328%0.277SS*.THydrogen-bonded Turntrans-53.1132.7173.5-172.494.9000110.2C608H587-C608 VanDerWaalsContact CA-SG 3.52Å; H587-C608 HydrophobicContact CB-CB 4.04Å; H587-C608 PolarHBondContact N-SG 2.88Å; H587-C608 PolarHBondContact ND1-N 3.22Å; H587-C608 VanDerWaalsContact ND1-N 3.12Å
588G92.9Very high92.9Very high43 Ų4349.9 Ų49.944%0.44325%0.254SS..THydrogen-bonded Turntrans87-8.2-177.500000115.4T586 C590 L606T586-G588 PolarHBondContact O-N 3.36Å; G588-C590 PolarHBondContact O-N 2.74Å; G588-L606 PolarHBondContact N-O 2.65Å
589T94.6Very high92.4Very high8 Ų850 Ų505%0.04926%0.258CS..PPolyproline II helixtrans-60.7130.2174.1-62.40000109.9V556 L585 T586 L591 L606V556-T589 HydrophobicContact CG1-CG2 4.01Å; L585-T589 HydrophobicContact CB-CG2 4.44Å; L585-T589 HydrophobicContact CD2-CG2 3.98Å; T586-T589 PolarHBondContact N-OG1 3.32Å; T586-T589 VanDerWaalsContact N-OG1 3.16Å; T586-T589 WeakPolarHBondContact O-CB 3.38Å; T586-T589 PolarHBondContact O-N 3.04Å; T586-T589 PolarHBondContact O-OG1 2.6Å; T589-L591 HydrophobicContact CG2-CD2 4.18Å; T589-L606 PolarHBondContact O-N 2.97Å
590C94.4Very high92.1Very high27 Ų2749.2 Ų49.218%0.18225%0.253CS..EExtended strand (participates in β ladder)trans-96.9122.9177.5-172.70000109.2P557 G588 L604P557-C590 WeakPolarHBondContact CD-O 3.07Å; G588-C590 PolarHBondContact O-N 2.74Å; C590-L604 CarbonylContact C-O 3.54Å; C590-L604 WeakPolarHBondContact CA-O 3.4Å
591L95.2Very high91.9Very high0 Ų051.4 Ų51.40%027%0.266CS..EExtended strand (participates in β ladder)trans-96.8132.2169.4-48.9-177.8000108L538 V554 E555 V556 L563 L585 T589 R603 L604 L606L538-L591 HydrophobicContact CD2-CD1 4.03Å; V554-L591 HydrophobicContact CG1-CB 4.18Å; V554-L591 HydrophobicContact CG1-CD1 4.45Å; E555-L591 WeakPolarHBondContact O-CA 3.48Å; V556-L591 HydrophobicContact CG2-CD2 3.81Å; L563-L591 HydrophobicContact CD1-CD2 3.93Å; L585-L591 HydrophobicContact CD1-CD2 4.38Å; T589-L591 HydrophobicContact CG2-CD2 4.18Å; L591-R603 CarbonylContact O-C 3.59Å; L591-R603 WeakPolarHBondContact O-CA 3.46Å; L591-L604 HydrophobicContact CB-CB 4.31Å; L591-L604 PolarHBondContact N-O 2.98Å; L591-L604 PolarHBondContact O-N 3.28Å; L591-L606 HydrophobicContact CD1-CD2 3.96Å; L591-L606 HydrophobicContact CD1-CG 4.49Å; L591-L606 HydrophobicContact CG-CD2 4.4Å; L591-L606 HydrophobicContact CG-CG 4.47Å
592Q94.7Very high91.7Very high51 Ų5150.2 Ų50.224%0.23826%0.255CS..EExtended strand (participates in β ladder)trans-98.3121.5165.2-173.9179.4-65.600107.4V554 E555 P557 D594 T601V554-Q592 WeakPolarHBondContact CA-O 3.49Å; E555-Q592 HydrophobicContact CG-CB 3.77Å; E555-Q592 HydrophobicContact CG-CG 4.48Å; E555-Q592 PolarHBondContact N-O 3.41Å; E555-Q592 PolarHBondContact O-N 3.1Å; E555-Q592 VanDerWaalsContact OE1-CD 3.23Å; E555-Q592 PolarHBondContact OE1-NE2 3.26Å; E555-Q592 PolarHBondContact OE1-OE1 2.85Å; P557-Q592 HydrophobicContact CG-CB 3.82Å; Q592-D594 WeakPolarHBondContact CG-OD2 3.29Å; Q592-D594 PolarHBondContact NE2-OD2 2.61Å; Q592-T601 HydrophobicContact CG-CG2 4.22Å
593C94.8Very high91.5Very high0 Ų049.7 Ų49.70%025%0.245CC..EExtended strand (participates in β ladder)trans-114.1111.2-178.2-55.80000107.6L543 M549 D553 V554 T601 I602L543-C593 HydrophobicContact CD1-CB 4.33Å; L543-C593 HydrophobicContact CD2-CB 3.95Å; M549-C593 HydrophobicContact CE-CB 4.02Å; M549-C593 WeakPolarHBondContact CE-O 3.27Å; M549-C593 HydrophobicContact SD-CB 4.44Å; D553-C593 CarbonylContact O-C 3.58Å; D553-C593 WeakPolarHBondContact O-CA 3.46Å; V554-C593 HydrophobicContact CG2-CB 4.49Å; C593-T601 WeakPolarHBondContact O-CA 3.45Å; C593-I602 PolarHBondContact N-O 3.32Å; C593-I602 PolarHBondContact O-N 2.93Å
594D93.6Very high91.4Very high15 Ų1547.6 Ų47.68%0.0824%0.236CC..EExtended strand (participates in β ladder)trans-110.7137.8-177.7-72-61.7000110.1P552 D553 Q592 F596 T601P552-D594 CarbonylContact C-O 3.58Å; P552-D594 WeakPolarHBondContact CA-O 3.46Å; D553-D594 PolarHBondContact N-O 3.31Å; D553-D594 PolarHBondContact O-N 2.91Å; Q592-D594 WeakPolarHBondContact CG-OD2 3.29Å; Q592-D594 PolarHBondContact NE2-OD2 2.61Å; D594-F596 HydrophobicContact CB-CD2 4.48Å; D594-F596 HydrophobicContact CB-CE1 4.04Å; D594-F596 HydrophobicContact CB-CE2 3.92Å; D594-F596 HydrophobicContact CB-CZ 3.67Å; D594-T601 VanDerWaalsContact OD1-CB 3.26Å; D594-T601 WeakPolarHBondContact OD1-CB 3.47Å; D594-T601 WeakPolarHBondContact OD1-CG2 3.04Å; D594-T601 PolarHBondContact OD1-OG1 2.82Å
595D92Very high91.4Very high1 Ų140.9 Ų40.91%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-121.394.9164-178.8-18000107.8M549 L550 R597 Q598 D599 F600M549-D595 VanDerWaalsContact CA-OD2 3.29Å; M549-D595 WeakPolarHBondContact CA-OD2 3.26Å; M549-D595 HydrophobicContact CB-CB 4.18Å; M549-D595 HydrophobicContact CE-CB 4.5Å; M549-D595 HydrophobicContact CG-CB 3.96Å; M549-D595 HydrophobicContact SD-CB 4.4Å; L550-D595 PolarHBondContact N-OD2 2.98Å; D595-R597 PolarHBondContact O-N 2.85Å; D595-R597 WeakPolarHBondContact OD1-CA 3.49Å; D595-R597 WeakPolarHBondContact OD1-CB 3.21Å; D595-R597 PolarHBondContact OD1-N 3.49Å; D595-Q598 HydrophobicContact CB-CB 4.48Å; D595-Q598 PolarHBondContact O-N 2.9Å; D595-Q598 PolarHBondContact OD1-N 3.14Å; D595-Q598 VanDerWaalsContact OD1-N 3.16Å; D595-Q598 WeakPolarHBondContact OD2-CG 3.41Å; D595-Q598 PolarHBondContact OD2-OE1 3.01Å; D595-D599 PolarHBondContact O-N 2.94Å; D595-F600 HydrophobicContact CB-CB 4.4Å; D595-F600 PolarHBondContact N-O 3.35Å; D595-F600 PolarHBondContact O-N 3.22Å
596F90.8Very high91.5Very high148 Ų14840.7 Ų40.765%0.64921%0.207SC*.THydrogen-bonded Turntrans-66.6-23.2-178.8-59.8-69.4000112.8D553 D594 Q598D553-F596 HydrophobicContact CB-CE2 3.93Å; D553-F596 VanDerWaalsContact OD2-CD2 3.29Å; D553-F596 WeakPolarHBondContact OD2-CD2 3.22Å; D553-F596 WeakPolarHBondContact OD2-CE2 3.5Å; D594-F596 HydrophobicContact CB-CD2 4.48Å; D594-F596 HydrophobicContact CB-CE1 4.04Å; D594-F596 HydrophobicContact CB-CE2 3.92Å; D594-F596 HydrophobicContact CB-CZ 3.67Å; F596-Q598 PolarHBondContact O-N 3.08Å
597R85.4Confident91.6Very high103 Ų10337 Ų3739%0.38918%0.184SC..THydrogen-bonded Turntrans-74.5-19177.5-64.8174.665.1-179.7-0.9112.2F86 M117 L550 A551 D595F86-R597 PolarHBondContact O-NH2 3.34Å; M117-R597 VanDerWaalsContact SD-O 3.34Å; L550-R597 HydrophobicContact CD1-CB 4.49Å; A551-R597 HydrophobicContact CB-CG 4.45Å; D595-R597 PolarHBondContact O-N 2.85Å; D595-R597 WeakPolarHBondContact OD1-CA 3.49Å; D595-R597 WeakPolarHBondContact OD1-CB 3.21Å; D595-R597 PolarHBondContact OD1-N 3.49Å
598Q85.1Confident91.5Very high3 Ų332.5 Ų32.51%0.01417%0.167CC..THydrogen-bonded Turntrans-116.70.9178.7-58.1-165-33.900113.9H113 G548 L550 D595 F596 F600H113-Q598 PolarHBondContact ND1-NE2 3.02Å; G548-Q598 PolarHBondContact O-OE1 2.75Å; L550-Q598 HydrophobicContact CD1-CG 3.65Å; L550-Q598 HydrophobicContact CG-CG 3.98Å; L550-Q598 VanDerWaalsContact CG-NE2 3.3Å; D595-Q598 HydrophobicContact CB-CB 4.48Å; D595-Q598 PolarHBondContact O-N 2.9Å; D595-Q598 PolarHBondContact OD1-N 3.14Å; D595-Q598 VanDerWaalsContact OD1-N 3.16Å; D595-Q598 WeakPolarHBondContact OD2-CG 3.41Å; D595-Q598 PolarHBondContact OD2-OE1 3.01Å; F596-Q598 PolarHBondContact O-N 3.08Å; Q598-F600 HydrophobicContact CB-CB 4.08Å; Q598-F600 PolarHBondContact O-N 3Å
599D85.3Confident91.4Very high76 Ų7631.8 Ų31.841%0.40615%0.152SC..THydrogen-bonded Turntrans49.448.8-171.2-177.329.8000111.3S120 R520 D595S120-D599 WeakPolarHBondContact CB-OD2 3.4Å; S120-D599 WeakPolarHBondContact OG-CB 3.28Å; S120-D599 PolarHBondContact OG-OD2 3.14Å; R520-D599 PolarHBondContact NH2-O 2.77Å; R520-D599 IonicContact NH2-OD1 3.88Å; D595-D599 PolarHBondContact O-N 2.94Å
600F87.6Confident91.1Very high6 Ų634.5 Ų34.53%0.02617%0.172CC..EExtended strand (participates in β ladder)trans-126.1118-172.4-175.4-123.8000111.2V514 M549 D595 Q598 I602V514-F600 HydrophobicContact CG2-CE2 4.11Å; V514-F600 HydrophobicContact CG2-CZ 4.42Å; M549-F600 HydrophobicContact CE-CD1 3.71Å; M549-F600 HydrophobicContact CE-CE1 3.99Å; M549-F600 HydrophobicContact CG-CD1 4.01Å; M549-F600 HydrophobicContact CG-CE1 4.32Å; D595-F600 HydrophobicContact CB-CB 4.4Å; D595-F600 PolarHBondContact N-O 3.35Å; D595-F600 PolarHBondContact O-N 3.22Å; Q598-F600 HydrophobicContact CB-CB 4.08Å; Q598-F600 PolarHBondContact O-N 3Å; F600-I602 HydrophobicContact CE1-CD1 3.5Å; F600-I602 VanDerWaalsContact CE1-CD1 3.5Å; F600-I602 HydrophobicContact CE1-CG1 4Å; F600-I602 HydrophobicContact CE2-CD1 4.25Å; F600-I602 HydrophobicContact CE2-CG1 4.23Å; F600-I602 HydrophobicContact CZ-CD1 3.33Å; F600-I602 HydrophobicContact CZ-CG1 3.76Å
601T90.2Very high90.5Very high46 Ų4635.8 Ų35.828%0.28218%0.178SC..EExtended strand (participates in β ladder)trans-122.2133.1-178.2-570000109.4Q592 C593 D594Q592-T601 HydrophobicContact CG-CG2 4.22Å; C593-T601 WeakPolarHBondContact O-CA 3.45Å; D594-T601 VanDerWaalsContact OD1-CB 3.26Å; D594-T601 WeakPolarHBondContact OD1-CB 3.47Å; D594-T601 WeakPolarHBondContact OD1-CG2 3.04Å; D594-T601 PolarHBondContact OD1-OG1 2.82Å
602I89.4Confident89.8Confident10 Ų1042.8 Ų42.85%0.05121%0.211CC..EExtended strand (participates in β ladder)trans-128.6142.6172-72.1178.9000109.2L524 L547 M549 C593 F600 L604L524-I602 HydrophobicContact CD1-CD1 4.44Å; L524-I602 HydrophobicContact CD1-CG2 3.85Å; L547-I602 HydrophobicContact CB-CD1 4.49Å; L547-I602 HydrophobicContact CD1-CD1 3.84Å; L547-I602 HydrophobicContact CD2-CD1 3.97Å; L547-I602 HydrophobicContact CG-CD1 4.33Å; M549-I602 HydrophobicContact CE-CB 4.39Å; C593-I602 PolarHBondContact N-O 3.32Å; C593-I602 PolarHBondContact O-N 2.93Å; F600-I602 HydrophobicContact CE1-CD1 3.5Å; F600-I602 VanDerWaalsContact CE1-CD1 3.5Å; F600-I602 HydrophobicContact CE1-CG1 4Å; F600-I602 HydrophobicContact CE2-CD1 4.25Å; F600-I602 HydrophobicContact CE2-CG1 4.23Å; F600-I602 HydrophobicContact CZ-CD1 3.33Å; F600-I602 HydrophobicContact CZ-CG1 3.76Å; I602-L604 HydrophobicContact CG2-CD2 3.94Å; I602-L604 HydrophobicContact CG2-CG 4.03Å
603R91.1Very high89Confident88 Ų8844.5 Ų44.533%0.33222%0.222SC..EExtended strand (participates in β ladder)trans-105.8123.6167.4-67.8-172.6-69.9-154.5-1110.6N521 Q523 L524 L591N521-R603 PolarHBondContact O-NH2 3.02Å; Q523-R603 HydrophobicContact CG-CB 4.12Å; L524-R603 PolarHBondContact N-O 3.01Å; L591-R603 CarbonylContact O-C 3.59Å; L591-R603 WeakPolarHBondContact O-CA 3.46Å
604L92.3Very high88.1Confident0 Ų044.5 Ų44.50%022%0.222CC..EExtended strand (participates in β ladder)trans-108.8119177.6-64.7174.7000110.6L524 L526 L538 L543 C590 L591 I602 I650L524-L604 HydrophobicContact CB-CD2 3.9Å; L524-L604 CarbonylContact O-C 3.5Å; L524-L604 WeakPolarHBondContact O-CA 3.44Å; L526-L604 HydrophobicContact CB-CB 4.45Å; L538-L604 HydrophobicContact CD1-CD1 4.45Å; L543-L604 HydrophobicContact CD2-CD1 3.96Å; C590-L604 CarbonylContact C-O 3.54Å; C590-L604 WeakPolarHBondContact CA-O 3.4Å; L591-L604 HydrophobicContact CB-CB 4.31Å; L591-L604 PolarHBondContact N-O 2.98Å; L591-L604 PolarHBondContact O-N 3.28Å; I602-L604 HydrophobicContact CG2-CD2 3.94Å; I602-L604 HydrophobicContact CG2-CG 4.03Å; L604-I650 HydrophobicContact CD2-CD1 4.49Å
605I92.9Very high87.2Confident23 Ų2348 Ų4812%0.11824%0.24CC..EExtended strand (participates in β ladder)trans-90.4121.2169.8-66.5177.4000109.2Q523 L524 H525 L526 S607Q523-I605 HydrophobicContact CB-CD1 3.58Å; Q523-I605 HydrophobicContact CB-CG1 3.98Å; Q523-I605 HydrophobicContact CG-CD1 4.06Å; Q523-I605 HydrophobicContact CG-CG1 4.41Å; Q523-I605 VanDerWaalsContact OE1-CD1 3.31Å; L524-I605 PolarHBondContact O-N 3.34Å; H525-I605 CarbonylContact C-O 3.49Å; H525-I605 WeakPolarHBondContact CA-O 3.32Å; L526-I605 PolarHBondContact N-O 3.23Å; I605-S607 PolarHBondContact O-N 3.44Å
606L94Very high86.1Confident0 Ų055.4 Ų55.40%027%0.273CS..EExtended strand (participates in β ladder)trans-66.6122.3174.6-62-171.5000110.9L526 L580 L585 G588 T589 L591L526-L606 HydrophobicContact CB-CD2 4.23Å; L526-L606 HydrophobicContact CD2-CD2 3.82Å; L526-L606 HydrophobicContact CG-CD2 4.29Å; L580-L606 HydrophobicContact CD1-CD1 3.99Å; L580-L606 HydrophobicContact CD1-CD2 3.93Å; L585-L606 HydrophobicContact CB-CD1 3.7Å; G588-L606 PolarHBondContact N-O 2.65Å; T589-L606 PolarHBondContact O-N 2.97Å; L591-L606 HydrophobicContact CD1-CD2 3.96Å; L591-L606 HydrophobicContact CD1-CG 4.49Å; L591-L606 HydrophobicContact CG-CD2 4.4Å; L591-L606 HydrophobicContact CG-CG 4.47Å
607S93.6Very high84.7Confident3 Ų350 Ų502%0.02125%0.25CC..EExtended strand (participates in β ladder)trans-111.578.4173.9-58.20000108.4H525 L526 L527 C528 I605 M654H525-S607 PolarHBondContact ND1-OG 3.38Å; L526-S607 PolarHBondContact O-N 2.75Å; L527-S607 WeakPolarHBondContact CA-O 3.48Å; L527-S607 WeakPolarHBondContact CD1-O 3.4Å; C528-S607 PolarHBondContact N-O 3.2Å; I605-S607 PolarHBondContact O-N 3.44Å; S607-M654 VanDerWaalsContact CB-CE 3.45Å; S607-M654 WeakPolarHBondContact OG-CE 3.48Å
608C92Very high83Confident31 Ų3149.5 Ų49.521%0.20926%0.26CS..EExtended strand (participates in β ladder)trans-69.2135.8-170.1-52.50000112.7C528 P530 H587C528-C608 CarbonylContact O-C 3.54Å; C528-C608 VanDerWaalsContact O-CA 3.27Å; C528-C608 WeakPolarHBondContact O-CA 3.4Å; P530-C608 HydrophobicContact CG-CB 3.69Å; P530-C608 WeakPolarHBondContact CG-SG 3.36Å; H587-C608 VanDerWaalsContact CA-SG 3.52Å; H587-C608 HydrophobicContact CB-CB 4.04Å; H587-C608 PolarHBondContact N-SG 2.88Å; H587-C608 PolarHBondContact ND1-N 3.22Å; H587-C608 VanDerWaalsContact ND1-N 3.12Å
609I90.4Very high81.1Confident28 Ų2851 Ų5114%0.14427%0.27CS..  trans-124.1158.9174.355.2171.5000110.5L527 C528 A529 L613 A614 L617L527-I609 HydrophobicContact CD1-CG2 3.66Å; L527-I609 HydrophobicContact CD2-CD1 4.42Å; L527-I609 HydrophobicContact CG-CD1 4.23Å; L527-I609 HydrophobicContact CG-CG2 4.25Å; C528-I609 WeakPolarHBondContact O-CG1 3.38Å; C528-I609 PolarHBondContact O-N 3.44Å; A529-I609 WeakPolarHBondContact CA-O 3.29Å; I609-L613 HydrophobicContact CB-CD2 4.17Å; I609-L613 HydrophobicContact CG2-CD2 4.05Å; I609-A614 HydrophobicContact CD1-CB 3.75Å; I609-A614 HydrophobicContact CG1-CB 4.19Å; I609-L617 HydrophobicContact CD1-CD1 3.23Å
610S87.7Confident78.8Confident65 Ų6552.5 Ų52.546%0.45528%0.282SS..  trans-65.3147174.358.70000111.6E612 L613 A614S610-E612 PolarHBondContact O-N 2.96Å; S610-L613 PolarHBondContact O-N 3.47Å; S610-L613 WeakPolarHBondContact OG-CB 3.16Å; S610-L613 PolarHBondContact OG-N 3.27Å; S610-A614 PolarHBondContact O-N 3.25Å
611V82.7Confident76.1Confident54 Ų5457.2 Ų57.233%0.32732%0.315SS..Hα-helixtrans-46.3-44.4171.7173.50000112.4A529 E531 L532 L613 A614 N615A529-V611 HydrophobicContact CB-CG2 4.35Å; E531-V611 HydrophobicContact CB-CG2 4.21Å; L532-V611 HydrophobicContact CD1-CG1 4.14Å; L532-V611 HydrophobicContact CD2-CG1 4.49Å; L532-V611 HydrophobicContact CG-CG1 4.5Å; L532-V611 HydrophobicContact CG-CG2 4.25Å; V611-L613 VanDerWaalsContact C-N 3.31Å; V611-L613 PolarHBondContact O-N 2.8Å; V611-A614 PolarHBondContact O-N 3.26Å; V611-N615 VanDerWaalsContact O-CG 3.24Å; V611-N615 PolarHBondContact O-N 3.47Å; V611-N615 PolarHBondContact O-ND2 3.16Å
612E79.7Confident73.1Confident147 Ų14761.7 Ų61.769%0.68734%0.338SS*.Hα-helixtrans-62.7-35178.8-72.617616000113.6S610 K616S610-E612 PolarHBondContact O-N 2.96Å; E612-K616 WeakPolarHBondContact O-CD 3.17Å; E612-K616 VanDerWaalsContact O-CG 3.27Å; E612-K616 WeakPolarHBondContact O-CG 3.31Å
613L79.1Confident70.3Confident88 Ų8868.1 Ų68.146%0.46137%0.372SS..Hα-helixtrans-78.9-38.5177.9-172.764.3000110.8I609 S610 V611 N615 K616 L617I609-L613 HydrophobicContact CB-CD2 4.17Å; I609-L613 HydrophobicContact CG2-CD2 4.05Å; S610-L613 PolarHBondContact O-N 3.47Å; S610-L613 WeakPolarHBondContact OG-CB 3.16Å; S610-L613 PolarHBondContact OG-N 3.27Å; V611-L613 VanDerWaalsContact C-N 3.31Å; V611-L613 PolarHBondContact O-N 2.8Å; L613-N615 VanDerWaalsContact C-N 3.29Å; L613-N615 PolarHBondContact O-N 2.9Å; L613-K616 CarbonylContact O-C 3.57Å; L613-K616 PolarHBondContact O-N 3.13Å; L613-L617 PolarHBondContact O-N 2.56Å; L613-L617 VanDerWaalsContact O-N 3.16Å
614A75.8Confident67.2Low0 Ų068.7 Ų68.70%039%0.389CS..Hα-helixtrans-58.8-42.6175.300000111.4A529 I609 S610 V611 K616 L617 T647A529-A614 HydrophobicContact CB-CB 3.73Å; I609-A614 HydrophobicContact CD1-CB 3.75Å; I609-A614 HydrophobicContact CG1-CB 4.19Å; S610-A614 PolarHBondContact O-N 3.25Å; V611-A614 PolarHBondContact O-N 3.26Å; A614-K616 PolarHBondContact O-N 3.17Å; A614-L617 PolarHBondContact O-N 3.48Å; A614-T647 HydrophobicContact CB-CG2 4.22Å
615N73.6Confident64.1Low88 Ų8874.4 Ų74.447%0.47142%0.424SS..THydrogen-bonded Turntrans-70-13.4176.3-65.5-14000113.6V611 L613V611-N615 VanDerWaalsContact O-CG 3.24Å; V611-N615 PolarHBondContact O-N 3.47Å; V611-N615 PolarHBondContact O-ND2 3.16Å; L613-N615 VanDerWaalsContact C-N 3.29Å; L613-N615 PolarHBondContact O-N 2.9Å
616K70.3Confident60.8Low157 Ų15779.6 Ų79.668%0.68345%0.451SS*.THydrogen-bonded Turntrans-102.5-5.1179.3-74.8176.3-177175.50113.8E612 L613 A614 P618E612-K616 WeakPolarHBondContact O-CD 3.17Å; E612-K616 VanDerWaalsContact O-CG 3.27Å; E612-K616 WeakPolarHBondContact O-CG 3.31Å; L613-K616 CarbonylContact O-C 3.57Å; L613-K616 PolarHBondContact O-N 3.13Å; A614-K616 PolarHBondContact O-N 3.17Å; K616-P618 WeakPolarHBondContact O-CD 3.27Å
617L60.6Low57.6Low33 Ų3386.1 Ų86.117%0.17349%0.486CS..  trans-68.1121.4-174.9-108.6133.1000110.8L527 I609 L613 A614 T619L527-L617 HydrophobicContact CD2-CD1 3.93Å; L527-L617 HydrophobicContact CD2-CD2 4Å; I609-L617 HydrophobicContact CD1-CD1 3.23Å; L613-L617 PolarHBondContact O-N 2.56Å; L613-L617 VanDerWaalsContact O-N 3.16Å; A614-L617 PolarHBondContact O-N 3.48Å; L617-T619 PolarHBondContact O-N 3.47Å
618P49.2Very low54.3Low93 Ų9393 Ų9360%0.60452%0.522SS*.  trans-73.2121.2-17526.4-32.3000111.2K616 T620 R649K616-P618 WeakPolarHBondContact O-CD 3.27Å; P618-T620 PolarHBondContact O-N 3.34Å; P618-R649 VanDerWaalsContact O-CZ 3.24Å; P618-R649 PolarHBondContact O-NH1 3.32Å; P618-R649 PolarHBondContact O-NH2 2.93Å
619T45.4Very low51Low35 Ų3598.4 Ų98.422%0.21555%0.549CS..  trans-73.881.2-17438.80000113L617 L643 Q644L617-T619 PolarHBondContact O-N 3.47Å; T619-L643 VanDerWaalsContact CB-CB 3.44Å; T619-L643 HydrophobicContact CG2-CB 4.28Å; T619-L643 WeakPolarHBondContact OG1-CB 3.46Å; T619-L643 PolarHBondContact OG1-O 3.36Å; T619-Q644 WeakPolarHBondContact CG2-O 3.5Å
620T38.2Very low47.8Very low107 Ų107105.4 Ų105.466%0.65659%0.585SS**  trans-136.6116.9170.558.40000110.2P618P618-T620 PolarHBondContact O-N 3.34Å
621S30.6Very low44.7Very low105 Ų105107.3 Ų107.373%0.73460%0.599SS**  trans-90.89816153.80000108.5
622D27.4Very low41.9Very low140 Ų140108.6 Ų108.675%0.74961%0.61SS**  trans-173.993.9142.1-100.1-15.8000108.3
623L29.6Very low39.3Very low146 Ų146110.9 Ų110.976%0.76461%0.613SS**  trans-159.851.6159.9-107.5151.9000109.1T625 L626L623-T625 PolarHBondContact O-N 3.46Å; L623-L626 HydrophobicContact CD2-CG 4.41Å
624S26.2Very low36.7Very low100 Ų100114.7 Ų114.770%0.69963%0.633SS**  trans-87.664.4151.8470000108.8
625T26.7Very low34.2Very low120 Ų120124.1 Ų124.174%0.73668%0.677SS**  trans-178.288.5156.916.80000110L623L623-T625 PolarHBondContact O-N 3.46Å
626L24.9Very low31.8Very low132 Ų132126.2 Ų126.269%0.69168%0.684SS**  trans-92.680.2151.9-96.7157.5000107.3L623L623-L626 HydrophobicContact CD2-CG 4.41Å
627N25.2Very low29.6Very low137 Ų137125.6 Ų125.673%0.73368%0.683SS**SBendtrans-159.7104.3149.4-110.6-22.7000111.2
628L24.8Very low27.8Very low148 Ų148131.3 Ų131.378%0.77571%0.713SS**  trans32.1122.5145.2-68.2155.6000119.9
629N23.6Very low26.5Very low144 Ų144134 Ų13477%0.7773%0.728SS**  trans77.283.7156.1-60.7-21.2000117.7
630L23Very low25.6Very low174 Ų174135.9 Ų135.991%0.91174%0.742SS**  trans-148.5112.8132.1-142.277.8000111.2
631S23.1Very low25Very low106 Ų106139.6 Ų139.674%0.74175%0.753SS**  trans-75132179.148.30000112.6
632S23.3Very low25.1Very low81 Ų81138.8 Ų138.857%0.56674%0.737SS**SBendtrans61.186.7150.566.90000118.1
633R24.6Very low25.5Very low194 Ų194136.7 Ų136.773%0.73273%0.725SS**SBendtrans-166.316.4147.7-114170.2-179.2-170.7-0.6118.7
634L24.8Very low25.9Very low169 Ų169133.3 Ų133.389%0.88571%0.706SS**  trans-121.918.5-175-100.8142.9000116.1
635E23.5Very low26.9Very low197 Ų197131.7 Ų131.792%0.92169%0.694SS**THydrogen-bonded Turntrans-94.118.9-174.7-78.1-176.8160.300116.2
636E23.7Very low28.4Very low132 Ų132129.7 Ų129.762%0.61768%0.677SS**THydrogen-bonded Turntrans-119.612.3-177.9-89.3-171.117500116.7K742E636-K742 VanDerWaalsContact OE2-CE 3.22Å; E636-K742 WeakPolarHBondContact OE2-CE 3.3Å; E636-K742 IonicContact OE2-NZ 3.25Å; E636-K742 PolarHBondContact OE2-NZ 3.05Å
637Q23.1Very low30.5Very low145 Ų145124.5 Ų124.568%0.67865%0.65SS**SBendtrans-143.291.9168.5-66.1-165.6-46.600109
638L23.1Very low33Very low152 Ų152118.7 Ų118.780%0.79662%0.618SS**  trans17887.8160.9-92.3151.7000108.3S640L638-S640 WeakPolarHBondContact CD2-OG 3.43Å
639T22.6Very low35.6Very low151 Ų151114.8 Ų114.893%0.92659%0.593SS**  trans-103.993.9150.349.60000105.8
640S26.4Very low38.1Very low73 Ų73109.9 Ų109.951%0.5157%0.566SS.*  trans-137.885.6171.932.60000108.4L638L638-S640 WeakPolarHBondContact CD2-OG 3.43Å
641E25.3Very low40.4Very low186 Ų186102.2 Ų102.287%0.86953%0.527SS*.  trans-70.9144.1140.8-70.3178.415800106.5
642E31.4Very low42.2Very low88 Ų88100 Ų10041%0.41152%0.521SS..  trans95.378.6176.7-53.3173.7175.500116.2P180P180-E642 VanDerWaalsContact CG-O 3.25Å; P180-E642 WeakPolarHBondContact CG-O 3.4Å
643L36.5Very low43.7Very low96 Ų96100.7 Ų100.750%0.50352%0.518SS..  trans-119.4134.3150.1-9987.9000109.2T619 S645T619-L643 VanDerWaalsContact CB-CB 3.44Å; T619-L643 HydrophobicContact CG2-CB 4.28Å; T619-L643 WeakPolarHBondContact OG1-CB 3.46Å; T619-L643 PolarHBondContact OG1-O 3.36Å; L643-S645 PolarHBondContact O-N 3.49Å
644Q38Very low44.6Very low74 Ų7493.3 Ų93.335%0.34649%0.493SS..  trans-53133.4174.4-75.6-178.8-1700112.5Y178 A181 T619 E646Y178-Q644 PolarHBondContact OH-OE1 3.21Å; A181-Q644 VanDerWaalsContact CB-NE2 3.29Å; T619-Q644 WeakPolarHBondContact CG2-O 3.5Å; Q644-E646 PolarHBondContact O-N 3.09Å
645S46.8Very low45.2Very low66 Ų6692 Ų9246%0.46249%0.487SS..  trans-69.487.9178.868.10000111.5L643 T647L643-S645 PolarHBondContact O-N 3.49Å; S645-T647 PolarHBondContact O-N 3.03Å
646E59.4Low45.9Very low78 Ų7886 Ų8636%0.36447%0.466SS..  trans-66.7125.3161.9-66.1-151.5134.500109.1R541 Q644 W648R541-E646 IonicContact NH1-OE1 2.73Å; Q644-E646 PolarHBondContact O-N 3.09Å; E646-W648 PolarHBondContact O-N 3.17Å; E646-W648 VanDerWaalsContact O-N 3.16Å; E646-W648 WeakPolarHBondContact OE2-CZ2 3.41Å
647T68.1Low46.5Very low23 Ų2383.2 Ų83.214%0.14146%0.455CS..SBendtrans-80.412.5-174.852.80000113.1L532 A614 S645L532-T647 HydrophobicContact CD1-CG2 3.72Å; A614-T647 HydrophobicContact CB-CG2 4.22Å; S645-T647 PolarHBondContact O-N 3.03Å
648W78.4Confident46.7Very low16 Ų1682.5 Ų82.56%0.06146%0.455CS..EExtended strand (participates in β ladder)trans-142.6155.4-177.563.6-91.2000113L526 L527 C528 L533 R541 I542 H546 E646L526-W648 HydrophobicContact CD1-CB 4.3Å; L526-W648 HydrophobicContact CD1-CE3 4.21Å; L527-W648 CarbonylContact O-C 3.16Å; L527-W648 WeakPolarHBondContact O-CA 3.35Å; C528-W648 HydrophobicContact CB-CB 4.04Å; L533-W648 HydrophobicContact CD1-CB 3.53Å; L533-W648 HydrophobicContact CD1-CG 3.67Å; R541-W648 HydrophobicContact CB-CZ2 4.03Å; I542-W648 HydrophobicContact CB-CH2 4.32Å; I542-W648 HydrophobicContact CB-CZ3 4.26Å; I542-W648 HydrophobicContact CD1-CD2 3.67Å; I542-W648 HydrophobicContact CD1-CE3 3.78Å; I542-W648 HydrophobicContact CD1-CG 4.01Å; I542-W648 HydrophobicContact CD1-CZ3 4.31Å; I542-W648 HydrophobicContact CG1-CD2 3.7Å; I542-W648 HydrophobicContact CG1-CE3 3.69Å; I542-W648 HydrophobicContact CG1-CG 4.47Å; I542-W648 HydrophobicContact CG1-CH2 3.74Å; I542-W648 HydrophobicContact CG1-CZ2 3.73Å; I542-W648 HydrophobicContact CG1-CZ3 3.72Å; I542-W648 HydrophobicContact CG2-CE3 4.35Å; I542-W648 HydrophobicContact CG2-CH2 4.47Å; I542-W648 HydrophobicContact CG2-CZ3 4Å; H546-W648 HydrophobicContact CB-CH2 4.21Å; E646-W648 PolarHBondContact O-N 3.17Å; E646-W648 VanDerWaalsContact O-N 3.16Å; E646-W648 WeakPolarHBondContact OE2-CZ2 3.41Å
649R78.7Confident46.9Very low65 Ų6580.7 Ų80.725%0.24545%0.452CS..EExtended strand (participates in β ladder)trans-151.6147.1172.9-65.2-167.1-176.7177.78.5113L526 L527 P618 V651L526-R649 CarbonylContact C-O 3.51Å; L526-R649 WeakPolarHBondContact CA-O 3.49Å; L527-R649 HydrophobicContact CB-CB 4.4Å; L527-R649 PolarHBondContact N-O 3.21Å; L527-R649 PolarHBondContact O-N 3.22Å; P618-R649 VanDerWaalsContact O-CZ 3.24Å; P618-R649 PolarHBondContact O-NH1 3.32Å; P618-R649 PolarHBondContact O-NH2 2.93Å; R649-V651 HydrophobicContact CB-CG2 4.48Å
650I75.7Confident47Very low41 Ų4180.9 Ų80.921%0.2145%0.447CS..EExtended strand (participates in β ladder)trans-90.4133165.4-58.8-175.1000109.7L524 H525 L526 I542 L547 L604L524-I650 HydrophobicContact CB-CG2 4.23Å; L524-I650 HydrophobicContact CD1-CG2 4.15Å; H525-I650 CarbonylContact O-C 3.43Å; H525-I650 WeakPolarHBondContact O-CA 3.29Å; L526-I650 HydrophobicContact CD1-CG1 4.39Å; I542-I650 HydrophobicContact CG2-CD1 3.81Å; I542-I650 HydrophobicContact CG2-CG1 4.24Å; L547-I650 HydrophobicContact CD1-CD1 3.73Å; L547-I650 HydrophobicContact CD2-CD1 3.74Å; L547-I650 HydrophobicContact CG-CD1 3.79Å; L604-I650 HydrophobicContact CD2-CD1 4.49Å
651V71.9Confident46.9Very low14 Ų1483 Ų839%0.08546%0.462CS..EExtended strand (participates in β ladder)trans-130.4131.2-178-167.60000109.2H525 L527 R649 M654 I657H525-V651 HydrophobicContact CB-CB 4.25Å; H525-V651 PolarHBondContact N-O 3.39Å; H525-V651 PolarHBondContact O-N 3.44Å; L527-V651 HydrophobicContact CB-CG2 4.35Å; R649-V651 HydrophobicContact CB-CG2 4.48Å; V651-M654 HydrophobicContact CB-CE 4.34Å; V651-M654 HydrophobicContact CG2-CE 4.26Å; V651-I657 HydrophobicContact CB-CD1 4.03Å; V651-I657 HydrophobicContact CG1-CD1 3.4Å; V651-I657 HydrophobicContact CG1-CG1 4.15Å; V651-I657 HydrophobicContact CG2-CD1 3.43Å; V651-I657 VanDerWaalsContact CG2-CD1 3.43Å
652G61.4Low46.9Very low60 Ų6082.8 Ų82.862%0.61946%0.459SS*.SBendtrans-77.1-42.817700000113.6
653D55Low46.6Very low94 Ų9485.9 Ų85.950%0.50348%0.478SS..  trans-137.3118.6179-170.7-10.9000110.9N655 S656D653-N655 PolarHBondContact O-N 2.85Å; D653-N655 PolarHBondContact OD1-N 3.36Å; D653-N655 VanDerWaalsContact OD1-N 3.08Å; D653-N655 PolarHBondContact OD1-ND2 3.1Å; D653-N655 VanDerWaalsContact OD1-ND2 3.11Å; D653-S656 PolarHBondContact O-N 3.46Å; D653-S656 PolarHBondContact O-OG 2.92Å
654M42.6Very low45.9Very low40 Ų4089.1 Ų89.120%0.19750%0.496CS..G310 helixtrans-63.4-23.2-178.4-91.6-77.214900113.5H525 L527 S607 V651 S656 I657H525-M654 HydrophobicContact CB-CE 3.73Å; H525-M654 HydrophobicContact CB-CG 4.29Å; L527-M654 HydrophobicContact CD1-CE 4.04Å; S607-M654 VanDerWaalsContact CB-CE 3.45Å; S607-M654 WeakPolarHBondContact OG-CE 3.48Å; V651-M654 HydrophobicContact CB-CE 4.34Å; V651-M654 HydrophobicContact CG2-CE 4.26Å; M654-S656 PolarHBondContact O-N 3.01Å; M654-S656 VanDerWaalsContact O-N 3.09Å; M654-I657 PolarHBondContact O-N 3.39Å
655N38Very low45.4Very low142 Ų14292 Ų9276%0.75952%0.519SS*.G310 helixtrans-66.3-13.2-177.7-66.6-47.9000113.7D653D653-N655 PolarHBondContact O-N 2.85Å; D653-N655 PolarHBondContact OD1-N 3.36Å; D653-N655 VanDerWaalsContact OD1-N 3.08Å; D653-N655 PolarHBondContact OD1-ND2 3.1Å; D653-N655 VanDerWaalsContact OD1-ND2 3.11Å
656S37.4Very low44.2Very low69 Ų6996.4 Ų96.448%0.48354%0.535SS..G310 helixtrans-84.9-16.4178630000114.6D653 M654D653-S656 PolarHBondContact O-N 3.46Å; D653-S656 PolarHBondContact O-OG 2.92Å; M654-S656 PolarHBondContact O-N 3.01Å; M654-S656 VanDerWaalsContact O-N 3.09Å
657I36.1Very low42.6Very low75 Ų75100.9 Ų100.939%0.38556%0.561SS.*THydrogen-bonded Turntrans-102.3-21.4-169.9-60.9-173.6000113.1V651 M654 P659V651-I657 HydrophobicContact CB-CD1 4.03Å; V651-I657 HydrophobicContact CG1-CD1 3.4Å; V651-I657 HydrophobicContact CG1-CG1 4.15Å; V651-I657 HydrophobicContact CG2-CD1 3.43Å; V651-I657 VanDerWaalsContact CG2-CD1 3.43Å; M654-I657 PolarHBondContact O-N 3.39Å; I657-P659 WeakPolarHBondContact O-CD 3.46Å
658L28.2Very low40.5Very low129 Ų129106.7 Ų106.768%0.67559%0.586SS**SBendtrans-102.2111179.5-72.1164.6000109.8N660L658-N660 PolarHBondContact O-N 2.7Å; L658-N660 VanDerWaalsContact O-N 3.16Å
659P26.9Very low37.9Very low114 Ų114113.9 Ų113.974%0.7462%0.618SS**  trans-60.8124.5168.42.95.6000107.4I657 S661I657-P659 WeakPolarHBondContact O-CD 3.46Å; P659-S661 VanDerWaalsContact C-N 3.32Å; P659-S661 PolarHBondContact O-N 3.47Å
660N25.4Very low35.3Very low155 Ų155118.3 Ų118.383%0.82965%0.647SS**  trans-53.497.2174.4-89.5-28.3000109.6L658 K662L658-N660 PolarHBondContact O-N 2.7Å; L658-N660 VanDerWaalsContact O-N 3.16Å; N660-K662 PolarHBondContact O-N 3.26Å
661S24.4Very low32.8Very low118 Ų118122.2 Ų122.283%0.82567%0.673SS**  trans-80.750.7170.153.30000109.8P659P659-S661 VanDerWaalsContact C-N 3.32Å; P659-S661 PolarHBondContact O-N 3.47Å
662K24.9Very low30.6Very low181 Ų181129.3 Ų129.379%0.78771%0.71SS**  trans-151.367.4170.3-71.6-167.5-178.9174.60109.8N660N660-K662 PolarHBondContact O-N 3.26Å
663D24.4Very low28.8Very low154 Ų154135.9 Ų135.982%0.82472%0.722SS**  trans-148.377.5152.3-91-32.2000109.1
664N23.3Very low27.5Very low164 Ų164140.8 Ų140.888%0.87774%0.741SS**  trans-132.279.5156.3-101-22.7000106.5
665T25.7Very low26.5Very low135 Ų135146 Ų14683%0.82877%0.77SS**  trans-150.2104.7151.73.10000109.5L667T665-L667 PolarHBondContact O-N 2.81Å
666I23.4Very low26Very low157 Ų157147.2 Ų147.281%0.80578%0.777SS**  trans-38.3121.5158.1-63.5159.5000109.6
667L25.7Very low25.3Very low173 Ų173152.3 Ų152.391%0.90679%0.793SS**  trans-143.8121.4146.7-118.2138.5000110.3T665T665-L667 PolarHBondContact O-N 2.81Å
668E23.2Very low25Very low144 Ų144156.7 Ų156.767%0.67381%0.811SS**  trans-65.7151.3-175.6-62.2179.2110.200112.7
669K22.9Very low24.9Very low168 Ų168155.6 Ų155.673%0.7381%0.81SS**  trans41.7118.9140.3-64.4170.9-1761630117.3
670N25.5Very low24.8Very low158 Ų158157.7 Ų157.785%0.84582%0.815SS**  -151.9126.8105.8-90.7-31.1000110.7
671T22.8Very low24.8Very low122 Ų122159 Ų15975%0.74881%0.814SS**  trans-58.6135.9157.342.70000109
672D25.9Very low24.8Very low163 Ų163163.1 Ų163.187%0.87282%0.817SS**  trans-150.9122.5137.4-87.1-35.3000109.7
673K23.3Very low24.7Very low199 Ų199160 Ų16087%0.86581%0.813SS**  trans-77.2135.2163.6-70.4172172.9177.60106.3
674E26.9Very low25Very low196 Ų196161.5 Ų161.592%0.91682%0.815SS**  trans-156.2131139.2-115.2171.7-160.600111.4
675N22.2Very low24.9Very low151 Ų151159.9 Ų159.981%0.80781%0.806SS**  trans-68.7145.1173.2-63.5-44.9000109.8
676N27.8Very low24.9Very low166 Ų166161.2 Ų161.289%0.88881%0.808SS**  trans-158.9120.1133.8-100.5-25.5000111.2
677E22.9Very low25Very low177 Ų177157.1 Ų157.183%0.82781%0.805SS**  trans-68.9136.2158.7-64.2171.8137.300109.4
678H30.2Very low25Very low166 Ų166157 Ų15777%0.76981%0.805SS**  -173.3114.9127.9-105.758.7000111.9
679T24.5Very low25.1Very low107 Ų107156.5 Ų156.566%0.65681%0.807SS**  trans46.4114.7135.160.70000119.6
680D26.2Very low25.2Very low158 Ų158155 Ų15585%0.84581%0.807SS**  -147.7128.6108.1-103.2-23.4000112.1
681K24.3Very low25.4Very low182 Ų182152.6 Ų152.679%0.79180%0.798SS**  trans-95.5125.4173.1-75.9177.5174.7177.70107.8
682F25.4Very low25.6Very low204 Ų204155.2 Ų155.290%0.89580%0.802SS**  trans-130.3111.4145-90.5-81000108.9
683V22.8Very low25.9Very low116 Ų116151.9 Ų151.970%0.70378%0.784SS**  trans-94.3122166.8170.30000106.1
684H30.4Very low26.2Very low186 Ų186149.1 Ų149.186%0.86178%0.779SS**  trans-143.7125.3144.3-107-54.9000109
685N22Very low26.5Very low129 Ų129146.3 Ų146.369%0.6977%0.769SS**  trans-51.8144.4167.5-73.4-16.8000111.3
686D24.7Very low26.9Very low163 Ų163145.6 Ų145.687%0.87276%0.764SS**  168.5135.2113.6-82.1-24.6000109.4
687G26Very low27.2Very low72 Ų72142.1 Ų142.174%0.74274%0.743SS**  trans123.295.3161.300000114.9D689G687-D689 PolarHBondContact O-N 2.81Å
688D24.4Very low27.9Very low169 Ų169136 Ų13690%0.90472%0.715SS**  trans-51.8117.8161.6-63.1-52.8000110.3
689D26.1Very low28.3Very low135 Ų135131 Ų13172%0.72270%0.696SS**  trans-126.769.9175.8-137.2-2.2000109.7G687 T691G687-D689 PolarHBondContact O-N 2.81Å; D689-T691 PolarHBondContact OD1-OG1 3.32Å
690D25.1Very low29Very low137 Ų137128.8 Ų128.873%0.73368%0.678SS**  trans-103.469167.3-80.1-25.5000109.3R493R493-D690 PolarHBondContact NH2-O 3.17Å
691T29.2Very low29.5Very low107 Ų107125 Ų12566%0.65666%0.658SS**  trans-11954.217357.80000112.9D689 D693D689-T691 PolarHBondContact OD1-OG1 3.32Å; T691-D693 PolarHBondContact O-N 3.01Å
692E27.6Very low30.1Very low177 Ų177118.2 Ų118.283%0.82763%0.634SS**  trans-83.276.2149.4-77.3-168.5167.300108.4
693D31.5Very low30.8Very low93 Ų93110.5 Ų110.550%0.49760%0.601SS.*  trans-81.2113160.9-84.1-7.4000107R493 T691 L695R493-D693 IonicContact CZ-OD1 3.64Å; R493-D693 IonicContact NE-OD1 3.04Å; R493-D693 PolarHBondContact NE-OD1 3.06Å; R493-D693 IonicContact NH2-OD1 3.6Å; R493-D693 PolarHBondContact NH2-OD1 3.37Å; T691-D693 PolarHBondContact O-N 3.01Å; D693-L695 PolarHBondContact O-N 3.29Å
694D29.3Very low31.6Very low140 Ų140108.2 Ų108.275%0.74958%0.584SS**  trans-55.785.2168.9-81.1-37.5000109.6I696D694-I696 PolarHBondContact O-N 3.39Å; D694-I696 VanDerWaalsContact O-N 3.08Å
695L33.1Very low32Very low138 Ų138104.3 Ų104.372%0.72356%0.564SS**  trans-72.592.5171.2-81.4160.5000108.1D693 E697D693-L695 PolarHBondContact O-N 3.29Å; L695-E697 VanDerWaalsContact C-N 3.26Å; L695-E697 PolarHBondContact O-N 3.27Å
696I30.6Very low32.7Very low135 Ų135101.2 Ų101.269%0.69255%0.548SS*.  trans-72.992.2162.6-58174.8000106.7D694 I698D694-I696 PolarHBondContact O-N 3.39Å; D694-I696 VanDerWaalsContact O-N 3.08Å; I696-I698 PolarHBondContact O-N 2.98Å
697E36Very low33.2Very low94 Ų9495.9 Ų95.944%0.43952%0.519SS..  trans-58.3123.1165.9-159.8170.1-149.600108Q170 L695 T699Q170-E697 PolarHBondContact NE2-OE1 3.08Å; Q170-E697 PolarHBondContact OE1-OE1 3.31Å; L695-E697 VanDerWaalsContact C-N 3.26Å; L695-E697 PolarHBondContact O-N 3.27Å; E697-T699 VanDerWaalsContact C-N 3.27Å; E697-T699 PolarHBondContact O-N 3.43Å
698I37.1Very low33.8Very low49 Ų4997 Ų9725%0.25151%0.505SS..  trans-74.188.3178.5-58.6165.8000107L134 I696 M703L134-I698 HydrophobicContact CB-CD1 4.47Å; L134-I698 HydrophobicContact CD1-CD1 4.21Å; L134-I698 HydrophobicContact CD1-CG2 4.08Å; L134-I698 HydrophobicContact CD2-CD1 4.21Å; I696-I698 PolarHBondContact O-N 2.98Å; I698-M703 HydrophobicContact CG2-CG 3.76Å; I698-M703 HydrophobicContact CG2-SD 4.27Å
699T37.7Very low34.3Very low61 Ų6194.4 Ų94.437%0.37449%0.491SS..  trans-73155.5168.4570000110E697 D701 S702 M703E697-T699 VanDerWaalsContact C-N 3.27Å; E697-T699 PolarHBondContact O-N 3.43Å; T699-D701 PolarHBondContact O-N 3.36Å; T699-D701 VanDerWaalsContact O-N 3.14Å; T699-S702 WeakPolarHBondContact O-CA 3.41Å; T699-S702 VanDerWaalsContact O-CB 3.25Å; T699-S702 WeakPolarHBondContact O-CB 3.18Å; T699-S702 PolarHBondContact O-N 2.78Å; T699-S702 PolarHBondContact OG1-N 3.33Å; T699-S702 PolarHBondContact OG1-OG 2.85Å; T699-S702 VanDerWaalsContact OG1-OG 3.07Å; T699-M703 PolarHBondContact O-N 2.91Å
700E39.3Very low34.8Very low60 Ų6092 Ų9228%0.2848%0.478SS..Hα-helixtrans-52.6-32.4172.8-96.6176.7175.900112.5S702 M703 I704E700-S702 VanDerWaalsContact C-N 3.34Å; E700-S702 PolarHBondContact O-N 3.26Å; E700-M703 HydrophobicContact CB-CE 4.17Å; E700-M703 HydrophobicContact CG-CE 3.34Å; E700-M703 CarbonylContact O-C 3.53Å; E700-M703 WeakPolarHBondContact O-CA 3.48Å; E700-M703 VanDerWaalsContact O-CB 3.26Å; E700-M703 WeakPolarHBondContact O-CB 3.46Å; E700-M703 PolarHBondContact O-N 3.43Å; E700-I704 PolarHBondContact O-N 2.85Å
701D37.4Very low35.6Very low77 Ų7790.9 Ų90.941%0.41247%0.468SS..Hα-helixtrans-65.3-34.4173.4-75.4-53.1000113.4R177 T699 M703 I704 K705R177-D701 IonicContact CZ-OD1 2.67Å; R177-D701 IonicContact NE-OD1 3.75Å; R177-D701 IonicContact NH2-OD1 3.64Å; R177-D701 PolarHBondContact NH2-OD1 2.79Å; T699-D701 PolarHBondContact O-N 3.36Å; T699-D701 VanDerWaalsContact O-N 3.14Å; D701-M703 PolarHBondContact O-N 3.45Å; D701-I704 PolarHBondContact O-N 2.92Å; D701-K705 PolarHBondContact O-N 3.23Å; D701-K705 VanDerWaalsContact O-N 3.15Å
702S36.8Very low36Very low41 Ų4192.4 Ų92.429%0.28747%0.472SS..Hα-helixtrans-66.9-25.1170.3-55.50000111.8T699 E700T699-S702 WeakPolarHBondContact O-CA 3.41Å; T699-S702 VanDerWaalsContact O-CB 3.25Å; T699-S702 WeakPolarHBondContact O-CB 3.18Å; T699-S702 PolarHBondContact O-N 2.78Å; T699-S702 PolarHBondContact OG1-N 3.33Å; T699-S702 PolarHBondContact OG1-OG 2.85Å; T699-S702 VanDerWaalsContact OG1-OG 3.07Å; E700-S702 VanDerWaalsContact C-N 3.34Å; E700-S702 PolarHBondContact O-N 3.26Å
703M39.7Very low36Very low42 Ų4286.3 Ų86.321%0.20746%0.457CS..Hα-helixtrans-79.5-33.4176.5-55.9-158.5-74.100112.7A131 I698 T699 E700 D701A131-M703 HydrophobicContact CB-CE 4.48Å; A131-M703 HydrophobicContact CB-CG 4.42Å; A131-M703 HydrophobicContact CB-SD 3.28Å; A131-M703 WeakPolarHBondContact CB-SD 3.4Å; I698-M703 HydrophobicContact CG2-CG 3.76Å; I698-M703 HydrophobicContact CG2-SD 4.27Å; T699-M703 PolarHBondContact O-N 2.91Å; E700-M703 HydrophobicContact CB-CE 4.17Å; E700-M703 HydrophobicContact CG-CE 3.34Å; E700-M703 CarbonylContact O-C 3.53Å; E700-M703 WeakPolarHBondContact O-CA 3.48Å; E700-M703 VanDerWaalsContact O-CB 3.26Å; E700-M703 WeakPolarHBondContact O-CB 3.46Å; E700-M703 PolarHBondContact O-N 3.43Å; D701-M703 PolarHBondContact O-N 3.45Å
704I40Very low36Very low67 Ų6787.4 Ų87.434%0.34447%0.467SS..Hα-helixtrans-72.2-43175.4-65.2170000111.2E700 D701 L706 N707 E708E700-I704 PolarHBondContact O-N 2.85Å; D701-I704 PolarHBondContact O-N 2.92Å; I704-L706 PolarHBondContact O-N 2.97Å; I704-L706 VanDerWaalsContact O-N 3.11Å; I704-N707 WeakPolarHBondContact O-CB 3.4Å; I704-N707 PolarHBondContact O-N 3.36Å; I704-E708 PolarHBondContact O-N 2.74Å
705K37.3Very low36Very low104 Ų10487.9 Ų87.945%0.45247%0.469SS..Hα-helixtrans-58.7-27.8178.2-142.4167.1-170.91690112.6D701 E708 D709D701-K705 PolarHBondContact O-N 3.23Å; D701-K705 VanDerWaalsContact O-N 3.15Å; K705-E708 PolarHBondContact O-N 3.41Å; K705-D709 PolarHBondContact O-N 3.32Å
706L36.7Very low35.7Very low64 Ų6487.9 Ų87.934%0.33548%0.476SS..Hα-helixtrans-75.2-25.1176.2-134.4116.1000113.5I704 L710I704-L706 PolarHBondContact O-N 2.97Å; I704-L706 VanDerWaalsContact O-N 3.11Å; L706-L710 WeakPolarHBondContact O-CD1 3.34Å; L706-L710 WeakPolarHBondContact O-CG 3.37Å; L706-L710 PolarHBondContact O-N 3.05Å; L706-L710 VanDerWaalsContact O-N 3.09Å
707N36.3Very low35.5Very low51 Ų5186.3 Ų86.327%0.27348%0.477SS..Hα-helixtrans-70.4-37.5170.5-85.8-13.5000110.8I704 D709 L710 E711I704-N707 WeakPolarHBondContact O-CB 3.4Å; I704-N707 PolarHBondContact O-N 3.36Å; N707-D709 VanDerWaalsContact C-N 3.34Å; N707-D709 PolarHBondContact O-N 2.96Å; N707-L710 WeakPolarHBondContact O-CB 2.89Å; N707-L710 PolarHBondContact O-N 2.99Å; N707-E711 PolarHBondContact O-N 3.13Å; N707-E711 VanDerWaalsContact O-N 3.09Å
708E37.5Very low34.9Very low97 Ų9789.3 Ų89.345%0.45350%0.495SS..Hα-helixtrans-64.3-37.8173.5-64.7173.6174.800111.7I704 K705 L710 E711 N712I704-E708 PolarHBondContact O-N 2.74Å; K705-E708 PolarHBondContact O-N 3.41Å; E708-L710 VanDerWaalsContact C-N 3.33Å; E708-E711 PolarHBondContact O-N 3.3Å; E708-N712 PolarHBondContact O-N 2.75Å; E708-N712 PolarHBondContact O-ND2 3.06Å
709D36.3Very low34.5Very low113 Ų11394 Ų9460%0.60453%0.526SS*.Hα-helixtrans-71.2-26.6174.4-75.2-19.8000113.1K705 N707 G713K705-D709 PolarHBondContact O-N 3.32Å; N707-D709 VanDerWaalsContact C-N 3.34Å; N707-D709 PolarHBondContact O-N 2.96Å; D709-G713 PolarHBondContact O-N 3.36Å
710L36.9Very low33.9Very low84 Ų8496.5 Ų96.544%0.4455%0.546SS..Hα-helixtrans-72.6-34.1173.5-86.2158000111.9L706 N707 E708 G713L706-L710 WeakPolarHBondContact O-CD1 3.34Å; L706-L710 WeakPolarHBondContact O-CG 3.37Å; L706-L710 PolarHBondContact O-N 3.05Å; L706-L710 VanDerWaalsContact O-N 3.09Å; N707-L710 WeakPolarHBondContact O-CB 2.89Å; N707-L710 PolarHBondContact O-N 2.99Å; E708-L710 VanDerWaalsContact C-N 3.33Å; L710-G713 PolarHBondContact O-N 3.01Å
711E41Very low33.2Very low115 Ų115101.2 Ų101.254%0.53757%0.572SS.*Hα-helixtrans-71.6-33.1176.8-72.3-18017500112.2N707 E708 G713N707-E711 PolarHBondContact O-N 3.13Å; N707-E711 VanDerWaalsContact O-N 3.09Å; E708-E711 PolarHBondContact O-N 3.3Å; E711-G713 VanDerWaalsContact C-N 3.31Å; E711-G713 PolarHBondContact O-N 3.45Å
712N37.5Very low32.8Very low138 Ų138103 Ų10374%0.73859%0.591SS**THydrogen-bonded Turntrans-81.6-6.7175.5-68.7-50.7000114.1E708E708-N712 PolarHBondContact O-N 2.75Å; E708-N712 PolarHBondContact O-ND2 3.06Å
713G28.7Very low32.2Very low50 Ų50107.9 Ų107.952%0.51561%0.613SS.*THydrogen-bonded Turntrans-91.6-7.3-175.700000116.1D709 L710 E711D709-G713 PolarHBondContact O-N 3.36Å; L710-G713 PolarHBondContact O-N 3.01Å; E711-G713 VanDerWaalsContact C-N 3.31Å; E711-G713 PolarHBondContact O-N 3.45Å
714V30.4Very low31.6Very low115 Ų115113.2 Ų113.270%0.69764%0.643SS**SBendtrans-104.972.2-178.5-171.70000110
715N30.1Very low30.9Very low150 Ų150114.6 Ų114.680%0.80266%0.659SS**  trans170.467150.8-88-27.4000110.8
716T26.2Very low30.4Very low139 Ų139115.9 Ų115.985%0.85368%0.675SS**  trans-136.456.5160.650.60000111
717S25.6Very low30Very low102 Ų102122.7 Ų122.771%0.71370%0.702SS**SBendtrans-151118.7158.550.30000109.8
718N25Very low29.5Very low156 Ų156132.5 Ų132.583%0.83474%0.735SS**  trans104.781.3175.3-55-25.1000115.2
719T27.8Very low29.2Very low147 Ų147137.3 Ų137.390%0.90276%0.755SS**  trans-147.7110.6137.210.40000109.2
720S26.4Very low28.8Very low114 Ų114138.1 Ų138.180%0.79777%0.768SS**  trans-60.2129.8168.433.30000110.9S722S720-S722 PolarHBondContact O-N 3.4Å
721I23.6Very low28.6Very low160 Ų160141 Ų14182%0.82178%0.783SS**  trans-6.2112.1153-57164.6000113.9
722S28.4Very low28.4Very low115 Ų115140.6 Ų140.680%0.80479%0.785SS**  trans-144.8127.5142.368.10000110.4S720S720-S722 PolarHBondContact O-N 3.4Å
723N23.9Very low28.7Very low142 Ų142140 Ų14076%0.75978%0.777SS**  trans-64.3134.6-179.1-68.6-39.3000111.3
724N28.8Very low29.4Very low154 Ų154142.7 Ų142.782%0.82478%0.78SS**  trans-173.3108.9131.5-92.7-22.2000113.1
725S24.9Very low30.2Very low97 Ų97141 Ų14168%0.67877%0.767SS**  trans27.8132.8138.962.10000122.3
726T26.3Very low30.7Very low130 Ų130138 Ų13880%0.79875%0.75SS**  trans76.894.8143.333.70000119.8
727K28.3Very low31.6Very low208 Ų208135.3 Ų135.390%0.90473%0.731SS**  -178.892.6120.2-97.4169.3-175.3178.80110.1K729K727-K729 PolarHBondContact O-N 3.09Å
728R26.2Very low32.6Very low257 Ų257138.8 Ų138.897%0.9773%0.728SS**  trans-75.7110.5164.7-81.7-179.8174.7171.2-2.9108.2
729K30.2Very low33.3Very low198 Ų198136.3 Ų136.386%0.86171%0.714SS**PPolyproline II helixtrans-83.7123.3159.5-82.7-176.3174.5-178.60107.4K727K727-K729 PolarHBondContact O-N 3.09Å
730C29.5Very low34Very low130 Ų130136.4 Ų136.488%0.87870%0.702SS**PPolyproline II helixtrans-61.8133.8172.5-78.10000109.9
731L31.3Very low34.7Very low145 Ų145140 Ų14076%0.75970%0.703SS**PPolyproline II helixtrans-71138.5163.9-99.593.5000109.4N735L731-N735 HydrophobicContact CD2-CB 4.37Å
732D38.6Very low35.5Very low106 Ų106138.9 Ų138.957%0.56769%0.692SS**PPolyproline II helixtrans-67.5144.6178.9-172.111000112.5D734 N735D732-D734 PolarHBondContact O-N 3.2Å; D732-D734 VanDerWaalsContact O-N 3.15Å; D732-N735 PolarHBondContact O-N 2.89Å; D732-N735 VanDerWaalsContact O-N 3.15Å
733Q42.8Very low35.6Very low124 Ų124138.6 Ų138.658%0.57968%0.681SS**Hα-helixtrans-61.9-22.9-174-164.367.915.800112.4L736 N737Q733-L736 PolarHBondContact O-N 3.38Å; Q733-N737 PolarHBondContact O-N 2.64Å
734D42.7Very low36Very low107 Ų107140.5 Ų140.557%0.57268%0.678SS**Hα-helixtrans-71.1-28.7178.5-75.5-17.7000113.5D732 N737 R738D732-D734 PolarHBondContact O-N 3.2Å; D732-D734 VanDerWaalsContact O-N 3.15Å; D734-N737 PolarHBondContact O-N 3.21Å; D734-R738 PolarHBondContact O-N 2.89Å
735N47Very low36.3Very low79 Ų79141.8 Ų141.842%0.42268%0.676SS.*Hα-helixtrans-72.2-30.7173.8-86.4-26.2000112.3L731 D732 I739L731-N735 HydrophobicContact CD2-CB 4.37Å; D732-N735 PolarHBondContact O-N 2.89Å; D732-N735 VanDerWaalsContact O-N 3.15Å; N735-I739 WeakPolarHBondContact O-CG1 3.39Å; N735-I739 PolarHBondContact O-N 2.76Å
736L42Very low36.6Very low88 Ų88145 Ų14546%0.46169%0.686SS.*Hα-helixtrans-70.2-35.6176.8-155.178.8000111.7Q733 I739 K740Q733-L736 PolarHBondContact O-N 3.38Å; L736-I739 PolarHBondContact O-N 3.36Å; L736-K740 WeakPolarHBondContact O-CG 3.28Å; L736-K740 PolarHBondContact O-N 3.36Å; L736-K740 VanDerWaalsContact O-N 3.15Å
737N44.6Very low36.9Very low82 Ų82147.7 Ų147.744%0.43969%0.686SS.*Hα-helixtrans-72.7-33.4177.4-72.1-25.8000112.5Q733 D734 K740 K741Q733-N737 PolarHBondContact O-N 2.64Å; D734-N737 PolarHBondContact O-N 3.21Å; N737-K740 PolarHBondContact O-N 3.15Å; N737-K741 PolarHBondContact O-N 3.35Å
738R46Very low37Very low175 Ų175147.1 Ų147.166%0.6669%0.687SS**Hα-helixtrans-64.2-40171.9-97.6178.9159.9163.8-4.3112.8D734 K741 K742D734-R738 PolarHBondContact O-N 2.89Å; R738-K741 PolarHBondContact O-N 2.81Å; R738-K742 PolarHBondContact O-N 3.15Å
739I41.3Very low37.2Very low105 Ų105142.9 Ų142.954%0.53868%0.683SS.*Hα-helixtrans-68.4-39.5177.4-66.4167.5000111N735 L736 K741 K742 L743N735-I739 WeakPolarHBondContact O-CG1 3.39Å; N735-I739 PolarHBondContact O-N 2.76Å; L736-I739 PolarHBondContact O-N 3.36Å; I739-K741 VanDerWaalsContact C-N 3.3Å; I739-K741 PolarHBondContact O-N 3.19Å; I739-K742 PolarHBondContact O-N 3.05Å; I739-L743 HydrophobicContact CG2-CD1 4.3Å
740K40.9Very low37.3Very low149 Ų149139.5 Ų139.565%0.64868%0.679SS**Hα-helixtrans-62.1-34.4175.5-77.3-179.8177.3-177.60113.4L736 N737 K742L736-K740 WeakPolarHBondContact O-CG 3.28Å; L736-K740 PolarHBondContact O-N 3.36Å; L736-K740 VanDerWaalsContact O-N 3.15Å; N737-K740 PolarHBondContact O-N 3.15Å; K740-K742 VanDerWaalsContact C-N 3.34Å
741K42.4Very low37.4Very low189 Ų189140.3 Ų140.382%0.82268%0.68SS**Hα-helixtrans-74.6-22.5178.9-144.1178-175.7-1750113.2N737 R738 I739N737-K741 PolarHBondContact O-N 3.35Å; R738-K741 PolarHBondContact O-N 2.81Å; I739-K741 VanDerWaalsContact C-N 3.3Å; I739-K741 PolarHBondContact O-N 3.19Å
742K39.6Very low37.3Very low136 Ų136136.8 Ų136.859%0.59168%0.679SS**Hα-helixtrans-81.7-14.1-180-85.3-174.1173.1-178.70114.8E636 R738 I739 K740E636-K742 VanDerWaalsContact OE2-CE 3.22Å; E636-K742 WeakPolarHBondContact OE2-CE 3.3Å; E636-K742 IonicContact OE2-NZ 3.25Å; E636-K742 PolarHBondContact OE2-NZ 3.05Å; R738-K742 PolarHBondContact O-N 3.15Å; I739-K742 PolarHBondContact O-N 3.05Å; K740-K742 VanDerWaalsContact C-N 3.34Å
743L31.5Very low37Very low109 Ų109137.2 Ų137.257%0.57169%0.69SS**THydrogen-bonded Turntrans-108.820-169.1-74.4169.9000116.2I739 F745I739-L743 HydrophobicContact CG2-CD1 4.3Å; L743-F745 HydrophobicContact CB-CD2 4.32Å; L743-F745 WeakPolarHBondContact O-CD2 3.12Å; L743-F745 PolarHBondContact O-N 3.27Å
744R32.6Very low36.3Very low183 Ų183137.1 Ų137.169%0.69170%0.703SS**  trans16.573174.9-75.8-167.3-178.2-179.41.9114.6
745F34.8Very low35.7Very low181 Ų181136.7 Ų136.779%0.79471%0.709SS**  trans-108.499.4166.6-83.4-76.6000108.4L743 K747L743-F745 HydrophobicContact CB-CD2 4.32Å; L743-F745 WeakPolarHBondContact O-CD2 3.12Å; L743-F745 PolarHBondContact O-N 3.27Å; F745-K747 VanDerWaalsContact C-N 3.31Å; F745-K747 PolarHBondContact O-N 2.63Å; F745-K747 VanDerWaalsContact O-N 3.1Å
746D29.4Very low34.9Very low165 Ų165140.7 Ų140.788%0.88273%0.728SS**  trans-77.285.9164.6-78.3-27.1000108.6
747K34.6Very low34.3Very low185 Ų185143.7 Ų143.780%0.80474%0.743SS**SBendtrans-172.3125.4150.7-104.6163.8-170.5-1780110.3F745 L749F745-K747 VanDerWaalsContact C-N 3.31Å; F745-K747 PolarHBondContact O-N 2.63Å; F745-K747 VanDerWaalsContact O-N 3.1Å; K747-L749 PolarHBondContact O-N 3.49Å
748E29.7Very low33.6Very low197 Ų197145 Ų14592%0.92175%0.754SS**  trans-56.5119.4169.7-69.5-178.4147.500110
749L30.2Very low32.9Very low168 Ų168142 Ų14288%0.8876%0.757SS**  trans-108.2106.4170-102.9144000109K747K747-L749 PolarHBondContact O-N 3.49Å
750T32Very low32.5Very low127 Ų127143 Ų14378%0.77977%0.768SS**  trans-64.5150.9173.644.10000112.3
751T31.7Very low32.1Very low146 Ų146138.6 Ų138.690%0.89676%0.759SS**SBendtrans-51.7135.1-173.951.30000116.4
752G28.4Very low31.7Very low72 Ų72136.4 Ų136.474%0.74276%0.756SS**  trans128.878.1141.700000117.5
753S32.2Very low31.5Very low114 Ų114136 Ų13680%0.79776%0.761SS**  trans171130.2143.348.10000110.7S755S753-S755 PolarHBondContact O-N 3.04Å
754S28.9Very low31.8Very low123 Ų123138.5 Ų138.586%0.8678%0.775SS**  trans-79.985.8179.947.60000111.8
755S31Very low32Very low98 Ų98137.5 Ų137.569%0.68578%0.783SS**  trans-162.7118.5159.7-30.50000108.7S753S753-S755 PolarHBondContact O-N 3.04Å
756I30Very low32Very low162 Ų162135.8 Ų135.883%0.83178%0.782SS**  trans-90.9110.5170.4-62.8175.6000106.8V758I756-V758 HydrophobicContact CG2-CG2 3.97Å
757I29.3Very low32.3Very low151 Ų151134.8 Ų134.877%0.77478%0.777SS**  trans-89.1112.1172.4-61.2171.5000107.1
758V29.9Very low32.1Very low110 Ų110133.1 Ų133.167%0.66778%0.777SS**  trans-100115.6169-176.60000107.6I756 V760I756-V758 HydrophobicContact CG2-CG2 3.97Å; V758-V760 PolarHBondContact O-N 3.32Å
759P29.7Very low32.2Very low113 Ų113131.6 Ų131.673%0.73478%0.775SS**  trans-71.3118.317526.5-29.6000109.8
760V33.5Very low32.4Very low125 Ų125131.7 Ų131.776%0.75878%0.776SS**  trans-82.8112.3160.8-178.80000106.1V758V758-V760 PolarHBondContact O-N 3.32Å
761A33.1Very low32.4Very low56 Ų56132.6 Ų132.646%0.46377%0.774SS.*  trans-97.594171.500000107.9R494R494-A761 PolarHBondContact NH2-O 2.97Å
762D34.2Very low32.5Very low143 Ų143132.7 Ų132.777%0.76577%0.767SS**  trans-108.5125.3156.8-87.8-25.3000109D764D762-D764 PolarHBondContact O-N 3.4Å
763D34.9Very low32.6Very low128 Ų128136.4 Ų136.468%0.68477%0.769SS**  trans-78.2101.8169.5-64.3-58000106.6R494R494-D763 IonicContact NH2-OD2 2.99Å
764D37.3Very low32.9Very low162 Ų162143 Ų14387%0.86679%0.787SS**  trans-172.4126.4141.3-91.9-28000110D762 N766D762-D764 PolarHBondContact O-N 3.4Å; D764-N766 PolarHBondContact O-N 3.19Å; D764-N766 VanDerWaalsContact O-N 3.09Å
765D37.6Very low33.1Very low161 Ų161144.1 Ų144.186%0.86178%0.784SS**  trans-59.9104.1174.2-73.6-49.8000110.7
766N35Very low33.2Very low146 Ų146146.5 Ų146.578%0.78179%0.789SS**  trans171.8128.5134-86.6-39.4000112.3D764D764-N766 PolarHBondContact O-N 3.19Å; D764-N766 VanDerWaalsContact O-N 3.09Å
767D34.4Very low33.3Very low144 Ų144145.6 Ų145.677%0.7779%0.786SS**  trans59.6109152.4-61-20.9000121.2
768D30Very low33.6Very low150 Ų150145.3 Ų145.380%0.80279%0.787SS**  trans34.595.5137.2-65.8-25.2000119.1
769D32.3Very low33.8Very low165 Ų165147.5 Ų147.588%0.88280%0.795SS**  trans-156.9106.4141.1-95-31.4000111.3
770L34Very low34.1Very low170 Ų170149.8 Ų149.889%0.8980%0.799SS**  trans-90.8111.5171.3-91.7149.5000109.1
771I32.9Very low34.1Very low146 Ų146151.6 Ų151.675%0.74980%0.802SS**  trans-92.9106.1168.3-57.2179.4000108.9I773I771-I773 HydrophobicContact CG2-CD1 4.35Å; I771-I773 HydrophobicContact CG2-CG1 3.82Å
772I33.9Very low34.2Very low147 Ų147158.9 Ų158.975%0.75483%0.828SS**  trans-86.3119.5164.8-58.4173.6000107
773I30.6Very low34.2Very low150 Ų150160.3 Ų160.377%0.76983%0.833SS**  trans-106.9112.4165.6-52.1-177.7000106.8I771I771-I773 HydrophobicContact CG2-CD1 4.35Å; I771-I773 HydrophobicContact CG2-CG1 3.82Å
774E37.4Very low34.1Very low254 Ų254163.2 Ų163.2100%1.18785%0.846SS**  trans-65.30171.8-76.5-171.415500113.4

Retrieved 774 of 774 residues in 155.8 ms (Link to these results)

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