G4V8Q5_SCHMA Loading...

Actin-related protein 10, arp10

Actins are highly conserved proteins that are involved in various types of cell motility and are ubiquitously expressed in all eukaryotic cells.

AlphaFold DB , UniProt , Accession G4V8Q5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 408 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
1M37.2Very low41.9Very low225 Ų225126.5 Ų126.5100%1.10869%0.693SS**  080.20-67.4-173.5-153.300109.9
2P45.7Very low44.9Very low101 Ų101125 Ų12566%0.65667%0.674SS**  trans-96.9-6.1175.420.4-4000113.8L4P2-L4 PolarHBondContact O-N 3.46Å
3V46.2Very low48.4Very low106 Ų106120.5 Ų120.564%0.64265%0.654SS**Hα-helixtrans-75.3-26.4-174.9-167.60000112.3
4L37.3Very low51.7Low120 Ų120112.3 Ų112.363%0.62861%0.61SS**Hα-helixtrans-77.3-33.2-177.6-152.379.4000112.6P2 S6 L7 M8P2-L4 PolarHBondContact O-N 3.46Å; L4-S6 VanDerWaalsContact C-N 3.33Å; L4-S6 PolarHBondContact O-N 3.31Å; L4-L7 PolarHBondContact O-N 3.44Å; L4-M8 VanDerWaalsContact O-CG 3.23Å; L4-M8 WeakPolarHBondContact O-CG 3.48Å; L4-M8 PolarHBondContact O-N 3.38Å
5E32.4Very low54.7Low147 Ų147104.8 Ų104.869%0.68757%0.569SS**Hα-helixtrans-67.6-33.2177.8-81.5-177.8155.500112.3L7 M8 L9E5-L7 VanDerWaalsContact C-N 3.3Å; E5-L7 PolarHBondContact O-N 3.38Å; E5-M8 PolarHBondContact O-N 3.4Å; E5-L9 WeakPolarHBondContact O-CB 3.27Å; E5-L9 PolarHBondContact O-N 3.44Å
6S40Very low57.3Low86 Ų8698.3 Ų98.360%0.60153%0.534SS*.Hα-helixtrans-72.5-23.7175.9106.10000113L4L4-S6 VanDerWaalsContact C-N 3.33Å; L4-S6 PolarHBondContact O-N 3.31Å
7L37.6Very low59.7Low126 Ų12692.5 Ų92.566%0.6650%0.502SS*.Hα-helixtrans-81.7-30.1173.1-89.2150.7000112.2L4 E5L4-L7 PolarHBondContact O-N 3.44Å; E5-L7 VanDerWaalsContact C-N 3.3Å; E5-L7 PolarHBondContact O-N 3.38Å
8M32.8Very low61.7Low159 Ų15988.5 Ų88.578%0.78348%0.481SS*.Hα-helixtrans-83.7-29179.6-64.3-69.4-9200112.6L4 E5 G10L4-M8 VanDerWaalsContact O-CG 3.23Å; L4-M8 WeakPolarHBondContact O-CG 3.48Å; L4-M8 PolarHBondContact O-N 3.38Å; E5-M8 PolarHBondContact O-N 3.4Å; M8-G10 PolarHBondContact O-N 3.06Å
9L40Very low63.5Low139 Ų13985.3 Ų85.373%0.72846%0.463SS*.SBendtrans-7759.6159.4-79.4151.4000108.7E5 E11E5-L9 WeakPolarHBondContact O-CB 3.27Å; E5-L9 PolarHBondContact O-N 3.44Å; L9-E11 PolarHBondContact O-N 3.44Å
10G48.7Very low64.9Low48 Ų4882.3 Ų82.350%0.49545%0.453SS..PPolyproline II helixtrans-48.1120.1175.300000108.6M8 K12M8-G10 PolarHBondContact O-N 3.06Å; G10-K12 PolarHBondContact O-N 3.47Å
11E62.6Low66.1Low135 Ų13580.8 Ų80.863%0.63145%0.448SS*.PPolyproline II helixtrans-49.8116.7179.9-78.2-161.6148.800107.6L9 T13 R85L9-E11 PolarHBondContact O-N 3.44Å; E11-T13 PolarHBondContact O-N 3.26Å; E11-T13 VanDerWaalsContact O-N 3.17Å; E11-R85 IonicContact OE1-CZ 2.69Å; E11-R85 IonicContact OE1-NH1 3.69Å; E11-R85 PolarHBondContact OE1-NH1 3.32Å; E11-R85 IonicContact OE1-NH2 2.87Å; E11-R85 PolarHBondContact OE1-NH2 3.31Å; E11-R85 IonicContact OE2-CZ 2.71Å; E11-R85 IonicContact OE2-NH1 3.3Å; E11-R85 PolarHBondContact OE2-NH1 3.08Å; E11-R85 IonicContact OE2-NH2 3.86Å
12K78.9Confident68.7Low108 Ų10872.2 Ų72.247%0.4741%0.408SS..PPolyproline II helixtrans-61.1127.2-177.4-66.7-174.8-173.8-179.80107.5G10 A14 D83 R84G10-K12 PolarHBondContact O-N 3.47Å; K12-A14 PolarHBondContact O-N 3.22Å; K12-D83 HydrophobicContact CD-CB 3.68Å; K12-D83 IonicContact NZ-OD2 3.83Å; K12-D83 PolarHBondContact NZ-OD2 3.21Å; K12-R84 HydrophobicContact CB-CG 3.78Å; K12-R84 HydrophobicContact CD-CG 4.37Å
13T89.9Confident71Confident67 Ų6771.3 Ų71.341%0.41139%0.392SS..PPolyproline II helixtrans-53138.1-175.2510000111.5E11 R84E11-T13 PolarHBondContact O-N 3.26Å; E11-T13 VanDerWaalsContact O-N 3.17Å; T13-R84 PolarHBondContact O-NH1 3.19Å; T13-R84 PolarHBondContact OG1-NH1 3.38Å
14A94.1Very high73.4Confident5 Ų566.2 Ų66.24%0.04136%0.362CS..PPolyproline II helixtrans-62.5147.9179.600000110.7K12 F28 A29 R85 V87 L370K12-A14 PolarHBondContact O-N 3.22Å; A14-F28 CarbonylContact O-C 3.56Å; A14-F28 WeakPolarHBondContact O-CA 3.29Å; A14-A29 HydrophobicContact CB-CB 4.02Å; A14-A29 PolarHBondContact O-N 3.07Å; A14-R85 CarbonylContact C-O 3.56Å; A14-R85 VanDerWaalsContact CA-O 3.25Å; A14-R85 WeakPolarHBondContact CA-O 3.45Å; A14-R85 HydrophobicContact CB-CB 4.11Å; A14-V87 HydrophobicContact CB-CG2 4.34Å; A14-L370 HydrophobicContact CB-CD2 3.96Å
15V96.5Very high76.2Confident0 Ų062 Ų620%034%0.338CS..EExtended strand (participates in β ladder)trans-90.6131.3172.1-174.70000108.6F17 F28 Y73 L77 V79 R84 R85 V86 V87V15-F17 HydrophobicContact CB-CE2 3.96Å; V15-F17 HydrophobicContact CG1-CD2 4.02Å; V15-F17 HydrophobicContact CG1-CE1 4.42Å; V15-F17 HydrophobicContact CG1-CE2 3.31Å; V15-F17 HydrophobicContact CG1-CZ 3.55Å; V15-F28 HydrophobicContact CG2-CD1 4.11Å; V15-F28 HydrophobicContact CG2-CE1 3.91Å; V15-Y73 HydrophobicContact CG1-CE1 4.38Å; V15-Y73 HydrophobicContact CG2-CE1 4.18Å; V15-L77 HydrophobicContact CG1-CD1 3.46Å; V15-L77 VanDerWaalsContact CG1-CD1 3.46Å; V15-V79 HydrophobicContact CG2-CG2 4.43Å; V15-R84 HydrophobicContact CG2-CB 4.1Å; V15-R85 PolarHBondContact N-O 3.02Å; V15-V86 CarbonylContact O-C 3.59Å; V15-V86 WeakPolarHBondContact O-CA 3.44Å; V15-V87 PolarHBondContact O-N 3.35Å
16V97.5Very high79.3Confident0 Ų055 Ų550%031%0.305CS..EExtended strand (participates in β ladder)trans-111.4125.9-176.5-172.10000108.9C26 G27 A29 V87 V89 W358 A362V16-C26 VanDerWaalsContact O-CA 3.32Å; V16-C26 WeakPolarHBondContact O-CA 3.3Å; V16-G27 PolarHBondContact N-O 3.18Å; V16-G27 PolarHBondContact O-N 3.12Å; V16-A29 HydrophobicContact CG2-CB 4.15Å; V16-V87 CarbonylContact C-O 3.5Å; V16-V87 VanDerWaalsContact CA-O 3.3Å; V16-V87 WeakPolarHBondContact CA-O 3.27Å; V16-V87 HydrophobicContact CG1-CB 4.35Å; V16-V87 HydrophobicContact CG1-CG1 4.38Å; V16-V87 HydrophobicContact CG2-CB 4.28Å; V16-V89 HydrophobicContact CG1-CG2 4.19Å; V16-W358 HydrophobicContact CB-CZ2 4.05Å; V16-W358 HydrophobicContact CG1-CD2 4.46Å; V16-W358 HydrophobicContact CG1-CG 4.3Å; V16-W358 PolarHBondContact O-NE1 2.77Å; V16-A362 HydrophobicContact CG2-CB 4.19Å
17F97.4Very high82Confident0 Ų050.9 Ų50.90%028%0.277CS..EExtended strand (participates in β ladder)trans-117.9132.8177-65.3-89.8000110.2V15 I19 C26 L69 I72 Y73 V86 V87 V88 V89 F106V15-F17 HydrophobicContact CB-CE2 3.96Å; V15-F17 HydrophobicContact CG1-CD2 4.02Å; V15-F17 HydrophobicContact CG1-CE1 4.42Å; V15-F17 HydrophobicContact CG1-CE2 3.31Å; V15-F17 HydrophobicContact CG1-CZ 3.55Å; F17-I19 HydrophobicContact CB-CD1 4.5Å; F17-I19 HydrophobicContact CB-CG1 4.12Å; F17-C26 HydrophobicContact CD1-CB 4.03Å; F17-C26 HydrophobicContact CE1-CB 4.2Å; F17-L69 HydrophobicContact CD1-CD2 4.09Å; F17-L69 HydrophobicContact CE1-CD2 3.67Å; F17-L69 HydrophobicContact CZ-CD2 4.09Å; F17-I72 HydrophobicContact CD1-CD1 4.42Å; F17-I72 HydrophobicContact CE1-CB 4.34Å; F17-I72 HydrophobicContact CE1-CD1 4.09Å; F17-I72 HydrophobicContact CE1-CG2 3.69Å; F17-I72 HydrophobicContact CZ-CG2 4.34Å; F17-Y73 HydrophobicContact CE2-CE2 4.47Å; F17-Y73 AromaticContact CE2-CZ 3.9Å; F17-Y73 WeakPolarHBondContact CE2-OH 3.48Å; F17-Y73 HydrophobicContact CZ-CE1 4.16Å; F17-Y73 AromaticContact CZ-CE2 3.89Å; F17-Y73 HydrophobicContact CZ-CE2 3.89Å; F17-Y73 AromaticContact CZ-CZ 3.61Å; F17-V86 HydrophobicContact CD2-CG1 3.7Å; F17-V86 HydrophobicContact CE2-CG1 3.88Å; F17-V87 PolarHBondContact N-O 3.33Å; F17-V88 CarbonylContact O-C 3.55Å; F17-V88 WeakPolarHBondContact O-CA 3.43Å; F17-V89 PolarHBondContact O-N 3.03Å; F17-F106 HydrophobicContact CD2-CE1 4.45Å; F17-F106 HydrophobicContact CD2-CZ 4.01Å; F17-F106 HydrophobicContact CE2-CE1 4Å; F17-F106 HydrophobicContact CE2-CZ 4.02Å; F17-F106 HydrophobicContact CZ-CE1 4.38Å
18D96.2Very high84.8Confident21 Ų2145 Ų4511%0.11225%0.246CC..EExtended strand (participates in β ladder)trans-119.998.4164.3172.1-13.9000105.9G20 T24 K25 V89 W358D18-G20 PolarHBondContact O-N 3.22Å; D18-T24 CarbonylContact O-C 3.52Å; D18-T24 VanDerWaalsContact O-CA 3.25Å; D18-T24 WeakPolarHBondContact O-CA 3.44Å; D18-K25 HydrophobicContact CB-CB 4.28Å; D18-K25 HydrophobicContact CB-CD 3.75Å; D18-K25 VanDerWaalsContact CG-NZ 3.34Å; D18-K25 PolarHBondContact N-O 2.86Å; D18-K25 PolarHBondContact O-N 3.27Å; D18-K25 IonicContact OD1-NZ 3.75Å; D18-K25 PolarHBondContact OD1-NZ 3.23Å; D18-K25 WeakPolarHBondContact OD2-CD 3.35Å; D18-K25 IonicContact OD2-NZ 2.99Å; D18-K25 PolarHBondContact OD2-NZ 2.77Å; D18-V89 HydrophobicContact CB-CB 4.18Å; D18-W358 HydrophobicContact CB-CB 3.94Å; D18-W358 HydrophobicContact CB-CG 4.34Å
19I94.9Very high87.8Confident28 Ų2837.8 Ų37.814%0.14421%0.211CC..EExtended strand (participates in β ladder)trans-92.393-172.8-54.4178000108.7F17 T24 T40 I52 F98 L102F17-I19 HydrophobicContact CB-CD1 4.5Å; F17-I19 HydrophobicContact CB-CG1 4.12Å; I19-T24 HydrophobicContact CG1-CG2 4.12Å; I19-T40 HydrophobicContact CG2-CG2 4.27Å; I19-I52 HydrophobicContact CG2-CD1 4.38Å; I19-F98 HydrophobicContact CG2-CZ 4.37Å; I19-L102 HydrophobicContact CD1-CD1 3.95Å; I19-L102 HydrophobicContact CD1-CD2 3.89Å
20G91.7Very high90.3Very high25 Ų2533.9 Ų33.926%0.25820%0.204SC..  trans-87.9168.3175.500000113.5D18 V22 Y23 T40D18-G20 PolarHBondContact O-N 3.22Å; G20-V22 VanDerWaalsContact C-N 3.34Å; G20-V22 PolarHBondContact O-N 3.06Å; G20-Y23 WeakPolarHBondContact CA-O 3.32Å; G20-Y23 PolarHBondContact N-O 3.33Å; G20-Y23 VanDerWaalsContact N-O 3.09Å; G20-T40 WeakPolarHBondContact O-CB 3.49Å; G20-T40 PolarHBondContact O-OG1 2.79Å
21S89.8Confident92.4Very high51 Ų5134 Ų3436%0.35719%0.192SC..SBendtrans-65.1-33.2-178.5-470000114M141S21-M141 VanDerWaalsContact OG-CG 3.28Å; S21-M141 WeakPolarHBondContact OG-CG 3.5Å
22V92.1Very high93.8Very high44 Ų4433.7 Ų33.727%0.26720%0.199SC..SBendtrans-111.3-40.8-179.1-177.50000111.9G20 P39 T40 Y140G20-V22 VanDerWaalsContact C-N 3.34Å; G20-V22 PolarHBondContact O-N 3.06Å; V22-P39 CarbonylContact O-C 3.57Å; V22-P39 VanDerWaalsContact O-CA 3.31Å; V22-P39 WeakPolarHBondContact O-CA 3.31Å; V22-T40 PolarHBondContact O-N 2.99Å; V22-Y140 HydrophobicContact CB-CG 4.48Å; V22-Y140 HydrophobicContact CG2-CD1 3.36Å; V22-Y140 HydrophobicContact CG2-CD2 3.61Å; V22-Y140 HydrophobicContact CG2-CE1 3.62Å; V22-Y140 HydrophobicContact CG2-CE2 3.88Å; V22-Y140 HydrophobicContact CG2-CG 3.34Å
23Y94.4Very high94.5Very high82 Ų8229.4 Ų29.432%0.32219%0.186SC..EExtended strand (participates in β ladder)trans-128.4141.8-179.7-64.5-78.6000110.8G20 I37 I38 P39 T40G20-Y23 WeakPolarHBondContact CA-O 3.32Å; G20-Y23 PolarHBondContact N-O 3.33Å; G20-Y23 VanDerWaalsContact N-O 3.09Å; Y23-I37 HydrophobicContact CD1-CG2 4.26Å; Y23-I37 HydrophobicContact CG-CG2 4.3Å; Y23-I38 CarbonylContact C-O 3.54Å; Y23-I38 WeakPolarHBondContact CA-O 3.47Å; Y23-P39 HydrophobicContact CD1-CG 4.31Å; Y23-P39 HydrophobicContact CE1-CB 4.49Å; Y23-P39 HydrophobicContact CE1-CG 4.02Å; Y23-T40 PolarHBondContact N-OG1 2.85Å
24T96.2Very high94.8Very high0 Ų027.2 Ų27.20%017%0.173CC..EExtended strand (participates in β ladder)trans-108.6128.9170.2-65.90000109D18 I19 I37 I38 T40 F68 I72D18-T24 CarbonylContact O-C 3.52Å; D18-T24 VanDerWaalsContact O-CA 3.25Å; D18-T24 WeakPolarHBondContact O-CA 3.44Å; I19-T24 HydrophobicContact CG1-CG2 4.12Å; T24-I37 WeakPolarHBondContact O-CA 3.25Å; T24-I38 PolarHBondContact N-O 3.36Å; T24-I38 PolarHBondContact O-N 3.2Å; T24-T40 PolarHBondContact N-OG1 3.13Å; T24-T40 PolarHBondContact OG1-OG1 2.67Å; T24-F68 HydrophobicContact CG2-CE1 4.02Å; T24-F68 HydrophobicContact CG2-CZ 4.2Å; T24-F68 WeakPolarHBondContact OG1-CE1 3.4Å; T24-F68 WeakPolarHBondContact OG1-CZ 3.49Å; T24-I72 HydrophobicContact CG2-CD1 4.17Å
25K97.3Very high94.9Very high30 Ų3033.3 Ų33.313%0.1320%0.195CC..EExtended strand (participates in β ladder)trans-97135.3169.2-47.5107.9-176.11770109.5D18 P34 F36 I37 N354 W358D18-K25 HydrophobicContact CB-CB 4.28Å; D18-K25 HydrophobicContact CB-CD 3.75Å; D18-K25 VanDerWaalsContact CG-NZ 3.34Å; D18-K25 PolarHBondContact N-O 2.86Å; D18-K25 PolarHBondContact O-N 3.27Å; D18-K25 IonicContact OD1-NZ 3.75Å; D18-K25 PolarHBondContact OD1-NZ 3.23Å; D18-K25 WeakPolarHBondContact OD2-CD 3.35Å; D18-K25 IonicContact OD2-NZ 2.99Å; D18-K25 PolarHBondContact OD2-NZ 2.77Å; K25-P34 HydrophobicContact CB-CB 3.79Å; K25-P34 HydrophobicContact CB-CG 4.08Å; K25-P34 HydrophobicContact CG-CG 4.35Å; K25-F36 WeakPolarHBondContact CA-O 3.39Å; K25-I37 HydrophobicContact CB-CG1 4.37Å; K25-I37 HydrophobicContact CG-CD1 4.26Å; K25-I37 HydrophobicContact CG-CG1 3.86Å; K25-I37 HydrophobicContact CG-CG2 4.29Å; K25-N354 WeakPolarHBondContact CE-O 3.43Å; K25-N354 PolarHBondContact NZ-O 2.9Å; K25-W358 HydrophobicContact CB-CB 4.37Å; K25-W358 HydrophobicContact CB-CG 4.08Å; K25-W358 HydrophobicContact CD-CB 4.45Å
26C97.1Very high94.9Very high0 Ų036.9 Ų36.90%021%0.211CC..EExtended strand (participates in β ladder)trans-141.5149.6177.165.10000112.1V16 F17 R35 F36 I72V16-C26 VanDerWaalsContact O-CA 3.32Å; V16-C26 WeakPolarHBondContact O-CA 3.3Å; F17-C26 HydrophobicContact CD1-CB 4.03Å; F17-C26 HydrophobicContact CE1-CB 4.2Å; C26-R35 PolarHBondContact O-N 3.09Å; C26-F36 PolarHBondContact N-O 3.12Å; C26-F36 PolarHBondContact O-N 3.33Å; C26-F36 VanDerWaalsContact O-N 3.1Å; C26-I72 HydrophobicContact CB-CG2 4.04Å
27G97.1Very high94.9Very high0 Ų040.5 Ų40.50%023%0.229CC..EExtended strand (participates in β ladder)trans175.3-157.8179.300000110.8V16V16-G27 PolarHBondContact N-O 3.18Å; V16-G27 PolarHBondContact O-N 3.12Å
28F96.6Very high94.7Very high4 Ų441.5 Ų41.52%0.01823%0.234CC..EExtended strand (participates in β ladder)trans-112.5151.9-177.7-58.4-82.7000112.5A14 V15 E31 R35 L77 V79 R84A14-F28 CarbonylContact O-C 3.56Å; A14-F28 WeakPolarHBondContact O-CA 3.29Å; V15-F28 HydrophobicContact CG2-CD1 4.11Å; V15-F28 HydrophobicContact CG2-CE1 3.91Å; F28-E31 HydrophobicContact CB-CG 4.18Å; F28-E31 PolarHBondContact N-OE2 3.28Å; F28-E31 WeakPolarHBondContact O-CB 3.46Å; F28-E31 PolarHBondContact O-N 3.04Å; F28-R35 HydrophobicContact CD2-CG 4.47Å; F28-R35 VanDerWaalsContact CE2-NH1 3.33Å; F28-L77 HydrophobicContact CE2-CD2 4.09Å; F28-L77 HydrophobicContact CZ-CB 4.21Å; F28-L77 HydrophobicContact CZ-CD2 4.25Å; F28-V79 HydrophobicContact CE1-CG1 3.96Å; F28-V79 HydrophobicContact CE1-CG2 4.2Å; F28-V79 HydrophobicContact CZ-CG1 3.69Å; F28-V79 HydrophobicContact CZ-CG2 4.25Å; F28-R84 VanDerWaalsContact CE1-NH1 3.26Å
29A94.7Very high94.6Very high6 Ų643.2 Ų43.25%0.0525%0.246CC..THydrogen-bonded Turntrans-59.3142.9169.900000111.2A14 V16 E31 A362 G365 A366A14-A29 HydrophobicContact CB-CB 4.02Å; A14-A29 PolarHBondContact O-N 3.07Å; V16-A29 HydrophobicContact CG2-CB 4.15Å; A29-E31 VanDerWaalsContact C-N 3.31Å; A29-A362 WeakPolarHBondContact CA-O 3.25Å; A29-G365 VanDerWaalsContact CB-C 3.43Å; A29-A366 HydrophobicContact CB-CB 4.38Å
30G91.7Very high94.6Very high57 Ų5741.9 Ų41.959%0.58824%0.24SC*.THydrogen-bonded Turntrans82.2-3.9-17600000115.5A362G30-A362 PolarHBondContact N-O 2.88Å
31E93.7Very high94.7Very high51 Ų5143.6 Ų43.624%0.23824%0.241CC..  trans-83152.8173.8-62.9-177.7150.500111.6F28 A29 G33 R35 W358F28-E31 HydrophobicContact CB-CG 4.18Å; F28-E31 PolarHBondContact N-OE2 3.28Å; F28-E31 WeakPolarHBondContact O-CB 3.46Å; F28-E31 PolarHBondContact O-N 3.04Å; A29-E31 VanDerWaalsContact C-N 3.31Å; E31-G33 VanDerWaalsContact C-N 3.3Å; E31-G33 PolarHBondContact O-N 2.97Å; E31-R35 IonicContact OE1-CZ 2.98Å; E31-R35 IonicContact OE1-NE 3.34Å; E31-R35 PolarHBondContact OE1-NE 2.89Å; E31-R35 IonicContact OE1-NH2 3.05Å; E31-R35 PolarHBondContact OE1-NH2 3.26Å; E31-R35 VanDerWaalsContact OE2-CG 3.27Å; E31-R35 WeakPolarHBondContact OE2-CG 3.4Å; E31-R35 IonicContact OE2-NE 3.11Å; E31-R35 PolarHBondContact OE2-NE 3.36Å; E31-W358 HydrophobicContact CB-CH2 4.22Å
32T91.8Very high94.8Very high128 Ų12841.6 Ų41.679%0.78523%0.226SC*.SBendtrans-80.3-9.5-177.853.50000114L359T32-L359 WeakPolarHBondContact O-CD1 3.49Å
33G93.8Very high94.7Very high18 Ų1843.9 Ų43.919%0.18624%0.241CC..SBendtrans-168.7161.8179.400000110.8E31 W358E31-G33 VanDerWaalsContact C-N 3.3Å; E31-G33 PolarHBondContact O-N 2.97Å; G33-W358 VanDerWaalsContact C-CH2 3.45Å; G33-W358 VanDerWaalsContact O-CH2 3.27Å; G33-W358 WeakPolarHBondContact O-CH2 3.35Å; G33-W358 WeakPolarHBondContact O-CZ3 3.3Å
34P96.7Very high94.3Very high22 Ų2242.2 Ų42.214%0.14324%0.237CC..  trans-65.7139.9-179.227.6-34.1000110.2K25 F36 I37 Y355 W358K25-P34 HydrophobicContact CB-CB 3.79Å; K25-P34 HydrophobicContact CB-CG 4.08Å; K25-P34 HydrophobicContact CG-CG 4.35Å; P34-F36 VanDerWaalsContact C-N 3.27Å; P34-F36 PolarHBondContact O-N 2.84Å; P34-I37 HydrophobicContact CB-CG1 4.45Å; P34-I37 HydrophobicContact CG-CD1 4.04Å; P34-I37 HydrophobicContact CG-CG1 3.84Å; P34-Y355 HydrophobicContact CG-CD1 4.4Å; P34-Y355 HydrophobicContact CG-CG 4.09Å; P34-W358 HydrophobicContact CB-CD2 3.82Å; P34-W358 HydrophobicContact CB-CE3 4.04Å; P34-W358 HydrophobicContact CB-CG 4.36Å; P34-W358 HydrophobicContact CB-CH2 4.4Å; P34-W358 HydrophobicContact CB-CZ2 4.18Å; P34-W358 HydrophobicContact CB-CZ3 4.35Å; P34-W358 HydrophobicContact CG-CD2 4.41Å; P34-W358 HydrophobicContact CG-CE3 4.33Å
35R95.9Very high93.7Very high133 Ų13349 Ų4950%0.50228%0.281SS..SBendtrans-64.2-37.6174.5-68.1-159.6176.5-177.23.9112C26 F28 E31C26-R35 PolarHBondContact O-N 3.09Å; F28-R35 HydrophobicContact CD2-CG 4.47Å; F28-R35 VanDerWaalsContact CE2-NH1 3.33Å; E31-R35 IonicContact OE1-CZ 2.98Å; E31-R35 IonicContact OE1-NE 3.34Å; E31-R35 PolarHBondContact OE1-NE 2.89Å; E31-R35 IonicContact OE1-NH2 3.05Å; E31-R35 PolarHBondContact OE1-NH2 3.26Å; E31-R35 VanDerWaalsContact OE2-CG 3.27Å; E31-R35 WeakPolarHBondContact OE2-CG 3.4Å; E31-R35 IonicContact OE2-NE 3.11Å; E31-R35 PolarHBondContact OE2-NE 3.36Å
36F97.4Very high93.1Very high75 Ų7552.9 Ų52.933%0.32931%0.307SS..EExtended strand (participates in β ladder)trans-139.3137-178.9-53.8-80.6000111K25 C26 P34 I38 H76 L77K25-F36 WeakPolarHBondContact CA-O 3.39Å; C26-F36 PolarHBondContact N-O 3.12Å; C26-F36 PolarHBondContact O-N 3.33Å; C26-F36 VanDerWaalsContact O-N 3.1Å; P34-F36 VanDerWaalsContact C-N 3.27Å; P34-F36 PolarHBondContact O-N 2.84Å; F36-I38 HydrophobicContact CB-CG2 4Å; F36-H76 HydrophobicContact CD2-CB 3.81Å; F36-H76 HydrophobicContact CE2-CB 3.91Å; F36-H76 WeakPolarHBondContact CE2-O 3.35Å; F36-H76 HydrophobicContact CG-CB 4.24Å; F36-H76 HydrophobicContact CZ-CB 4.41Å; F36-H76 WeakPolarHBondContact CZ-O 3.49Å; F36-L77 HydrophobicContact CD2-CD2 4.13Å; F36-L77 HydrophobicContact CE2-CD2 4.3Å
37I96Very high92.5Very high75 Ų7555.4 Ų55.439%0.38533%0.333SS..EExtended strand (participates in β ladder)trans-114.1106.4164.8-56.3-179.7000105.2Y23 T24 K25 P34Y23-I37 HydrophobicContact CD1-CG2 4.26Å; Y23-I37 HydrophobicContact CG-CG2 4.3Å; T24-I37 WeakPolarHBondContact O-CA 3.25Å; K25-I37 HydrophobicContact CB-CG1 4.37Å; K25-I37 HydrophobicContact CG-CD1 4.26Å; K25-I37 HydrophobicContact CG-CG1 3.86Å; K25-I37 HydrophobicContact CG-CG2 4.29Å; P34-I37 HydrophobicContact CB-CG1 4.45Å; P34-I37 HydrophobicContact CG-CD1 4.04Å; P34-I37 HydrophobicContact CG-CG1 3.84Å
38I94.7Very high92Very high22 Ų2261.6 Ų61.611%0.11336%0.362CS..EExtended strand (participates in β ladder)trans-117.6148.7-17562.2173.8000110.5Y23 T24 F36 T40 F68 I72Y23-I38 CarbonylContact C-O 3.54Å; Y23-I38 WeakPolarHBondContact CA-O 3.47Å; T24-I38 PolarHBondContact N-O 3.36Å; T24-I38 PolarHBondContact O-N 3.2Å; F36-I38 HydrophobicContact CB-CG2 4Å; I38-T40 PolarHBondContact O-N 3.13Å; I38-F68 HydrophobicContact CD1-CE2 4.05Å; I38-F68 HydrophobicContact CD1-CZ 4.05Å; I38-F68 HydrophobicContact CG1-CZ 4.28Å; I38-I72 HydrophobicContact CD1-CD1 3.98Å; I38-I72 HydrophobicContact CD1-CG1 3.53Å
39P93.8Very high91.5Very high56 Ų5667.5 Ų67.536%0.36439%0.388SS..EExtended strand (participates in β ladder)trans-57.3137.2172.2-23.734.2000111.3V22 Y23 E41 F68V22-P39 CarbonylContact O-C 3.57Å; V22-P39 VanDerWaalsContact O-CA 3.31Å; V22-P39 WeakPolarHBondContact O-CA 3.31Å; Y23-P39 HydrophobicContact CD1-CG 4.31Å; Y23-P39 HydrophobicContact CE1-CB 4.49Å; Y23-P39 HydrophobicContact CE1-CG 4.02Å; P39-E41 HydrophobicContact CB-CG 3.9Å; P39-E41 PolarHBondContact O-N 3.1Å; P39-F68 WeakPolarHBondContact O-CE2 3.26Å
40T95Very high91.2Very high1 Ų169.5 Ų69.51%0.00639%0.394CS..SBendtrans-78.762.8176.2-48.40000110I19 G20 V22 Y23 T24 I38 I52 F64 F68I19-T40 HydrophobicContact CG2-CG2 4.27Å; G20-T40 WeakPolarHBondContact O-CB 3.49Å; G20-T40 PolarHBondContact O-OG1 2.79Å; V22-T40 PolarHBondContact O-N 2.99Å; Y23-T40 PolarHBondContact N-OG1 2.85Å; T24-T40 PolarHBondContact N-OG1 3.13Å; T24-T40 PolarHBondContact OG1-OG1 2.67Å; I38-T40 PolarHBondContact O-N 3.13Å; T40-I52 HydrophobicContact CG2-CB 3.98Å; T40-I52 HydrophobicContact CG2-CD1 4.15Å; T40-I52 HydrophobicContact CG2-CG2 3.8Å; T40-I52 PolarHBondContact O-N 2.75Å; T40-F64 HydrophobicContact CG2-CE1 4.43Å; T40-F64 HydrophobicContact CG2-CZ 4.45Å; T40-F68 HydrophobicContact CG2-CE1 4.18Å; T40-F68 HydrophobicContact CG2-CZ 4.14Å
41E93.3Very high91Very high61 Ų6168.6 Ų68.629%0.28538%0.379SS..EExtended strand (participates in β ladder)trans-139.5154.9-179.274.2-170.3-175.200111.1P39 K49 R50P39-E41 HydrophobicContact CB-CG 3.9Å; P39-E41 PolarHBondContact O-N 3.1Å; E41-K49 WeakPolarHBondContact OE1-CD 3.37Å; E41-K49 WeakPolarHBondContact OE1-CE 3.35Å; E41-K49 IonicContact OE1-NZ 2.61Å; E41-K49 PolarHBondContact OE1-NZ 3.45Å; E41-R50 CarbonylContact C-O 3.59Å; E41-R50 WeakPolarHBondContact CA-O 3.41Å; E41-R50 WeakPolarHBondContact CB-O 3.5Å
42I92.5Very high90.7Very high9 Ų967.1 Ų67.15%0.04637%0.372CS..EExtended strand (participates in β ladder)trans-119143.2170.664.7177.8000109.6L44 R50 F64 T67 F68I42-L44 HydrophobicContact CD1-CD2 4.16Å; I42-L44 HydrophobicContact CG1-CD2 4.41Å; I42-R50 HydrophobicContact CG1-CB 4.1Å; I42-R50 PolarHBondContact N-O 3Å; I42-R50 PolarHBondContact O-N 2.68Å; I42-F64 HydrophobicContact CB-CE2 4.27Å; I42-F64 HydrophobicContact CD1-CB 4.44Å; I42-F64 HydrophobicContact CD1-CD2 3.55Å; I42-F64 HydrophobicContact CD1-CE2 4.11Å; I42-F64 HydrophobicContact CD1-CG 4.28Å; I42-F64 HydrophobicContact CG1-CD2 3.71Å; I42-F64 HydrophobicContact CG1-CE2 3.73Å; I42-F64 HydrophobicContact CG2-CD2 4.21Å; I42-F64 HydrophobicContact CG2-CE2 3.9Å; I42-F64 HydrophobicContact CG2-CZ 4.2Å; I42-T67 HydrophobicContact CD1-CG2 4.42Å; I42-T67 HydrophobicContact CG2-CG2 4.32Å; I42-F68 HydrophobicContact CG2-CB 3.72Å; I42-F68 HydrophobicContact CG2-CD2 4.01Å; I42-F68 HydrophobicContact CG2-CG 4.34Å
43T90Very high90.1Very high92 Ų9265.7 Ų65.756%0.56437%0.367SS*.EExtended strand (participates in β ladder)trans-88.8118.2169.3-51.60000108.6
44L85.6Confident89.5Confident47 Ų4768.1 Ų68.125%0.24638%0.382CS..  trans-71.2160.5175.3-62.7177.9000110.5I42 T46 G47 E48 R50I42-L44 HydrophobicContact CD1-CD2 4.16Å; I42-L44 HydrophobicContact CG1-CD2 4.41Å; L44-T46 WeakPolarHBondContact CB-OG1 3.4Å; L44-T46 PolarHBondContact O-N 3.36Å; L44-T46 VanDerWaalsContact O-N 3.08Å; L44-G47 WeakPolarHBondContact O-CA 3.43Å; L44-G47 PolarHBondContact O-N 3.16Å; L44-E48 WeakPolarHBondContact CB-O 3.4Å; L44-E48 PolarHBondContact N-O 3.44Å; L44-R50 HydrophobicContact CD1-CB 4.36Å; L44-R50 HydrophobicContact CG-CB 4.33Å
45P83.1Confident88.9Confident141 Ų14167.2 Ų67.292%0.91638%0.376SS*.THydrogen-bonded Turntrans-57.1-23.6174.1-25.435000114G47P45-G47 PolarHBondContact O-N 3.37Å
46T85.6Confident88.2Confident112 Ų11267.5 Ų67.569%0.68739%0.387SS*.THydrogen-bonded Turntrans-70.5-9.3173.556.10000113.4L44 E48L44-T46 WeakPolarHBondContact CB-OG1 3.4Å; L44-T46 PolarHBondContact O-N 3.36Å; L44-T46 VanDerWaalsContact O-N 3.08Å; T46-E48 VanDerWaalsContact C-N 3.26Å; T46-E48 PolarHBondContact OG1-N 2.95Å
47G83.4Confident87.7Confident53 Ų5365.6 Ų65.655%0.54639%0.389SS..SBendtrans85.8-9.9-171.900000113.9L44 P45L44-G47 WeakPolarHBondContact O-CA 3.43Å; L44-G47 PolarHBondContact O-N 3.16Å; P45-G47 PolarHBondContact O-N 3.37Å
48E85.8Confident87.4Confident131 Ų13167.3 Ų67.361%0.61239%0.394SS*.  trans-71.8138.9178.9-169.3-178.1172.600111.3L44 T46L44-E48 WeakPolarHBondContact CB-O 3.4Å; L44-E48 PolarHBondContact N-O 3.44Å; T46-E48 VanDerWaalsContact C-N 3.26Å; T46-E48 PolarHBondContact OG1-N 2.95Å
49K86.7Confident87.2Confident128 Ų12872.7 Ų72.756%0.55742%0.423SS*.EExtended strand (participates in β ladder)trans-88.1131.1174.3-69.6179.9167.2-154.20110.1E41E41-K49 WeakPolarHBondContact OE1-CD 3.37Å; E41-K49 WeakPolarHBondContact OE1-CE 3.35Å; E41-K49 IonicContact OE1-NZ 2.61Å; E41-K49 PolarHBondContact OE1-NZ 3.45Å
50R87.6Confident87.1Confident47 Ų4775.4 Ų75.418%0.17743%0.429CS..EExtended strand (participates in β ladder)trans-117.9130.6177.1-170.3175.5-178.6-169.8-2.7109.7E41 I42 L44 S54 C55 F64E41-R50 CarbonylContact C-O 3.59Å; E41-R50 WeakPolarHBondContact CA-O 3.41Å; E41-R50 WeakPolarHBondContact CB-O 3.5Å; I42-R50 HydrophobicContact CG1-CB 4.1Å; I42-R50 PolarHBondContact N-O 3Å; I42-R50 PolarHBondContact O-N 2.68Å; L44-R50 HydrophobicContact CD1-CB 4.36Å; L44-R50 HydrophobicContact CG-CB 4.33Å; R50-S54 WeakPolarHBondContact CG-OG 3.42Å; R50-C55 PolarHBondContact NE-SG 3.43Å; R50-F64 WeakPolarHBondContact O-CE2 3.45Å
51S88.4Confident87Confident38 Ų3877.5 Ų77.527%0.26644%0.437SS..EExtended strand (participates in β ladder)trans-92.2159173.5-177.70000111.5S53 S54S51-S53 PolarHBondContact O-N 2.85Å; S51-S53 PolarHBondContact OG-OG 2.96Å; S51-S54 PolarHBondContact O-N 3.49Å; S51-S54 PolarHBondContact O-OG 3.19Å
52I86.6Confident87Confident20 Ų2078.8 Ų78.810%0.10344%0.439CS..G310 helixtrans-61.7-30.3175.6-160.8163.5000112.8I19 T40 S54 C55 F64 L65 F98I19-I52 HydrophobicContact CG2-CD1 4.38Å; T40-I52 HydrophobicContact CG2-CB 3.98Å; T40-I52 HydrophobicContact CG2-CD1 4.15Å; T40-I52 HydrophobicContact CG2-CG2 3.8Å; T40-I52 PolarHBondContact O-N 2.75Å; I52-S54 VanDerWaalsContact C-N 3.28Å; I52-S54 PolarHBondContact O-N 3.35Å; I52-C55 WeakPolarHBondContact O-CB 3.41Å; I52-C55 PolarHBondContact O-N 3.07Å; I52-F64 HydrophobicContact CB-CD1 4.19Å; I52-F64 HydrophobicContact CB-CE1 3.57Å; I52-F64 HydrophobicContact CB-CE2 4.47Å; I52-F64 HydrophobicContact CB-CZ 3.73Å; I52-F64 HydrophobicContact CD1-CD1 4.12Å; I52-F64 HydrophobicContact CD1-CE1 3.76Å; I52-F64 HydrophobicContact CG1-CD1 3.86Å; I52-F64 HydrophobicContact CG1-CE1 3.63Å; I52-F64 HydrophobicContact CG1-CZ 4.3Å; I52-L65 HydrophobicContact CD1-CD2 4.01Å; I52-F98 HydrophobicContact CD1-CE2 3.53Å; I52-F98 HydrophobicContact CD1-CZ 3.82Å; I52-F98 HydrophobicContact CG1-CE2 4.26Å
53S80.2Confident87.1Confident98 Ų9884 Ų8469%0.68546%0.463SS*.G310 helixtrans-68.4-23.5-17957.30000113.4S51 C55S51-S53 PolarHBondContact O-N 2.85Å; S51-S53 PolarHBondContact OG-OG 2.96Å; S53-C55 VanDerWaalsContact C-N 3.32Å
54S82.2Confident87.3Confident69 Ų6979.6 Ų79.648%0.48344%0.436SS..G310 helixtrans-87.92176.6700000113.6R50 S51 I52 D56R50-S54 WeakPolarHBondContact CG-OG 3.42Å; S51-S54 PolarHBondContact O-N 3.49Å; S51-S54 PolarHBondContact O-OG 3.19Å; I52-S54 VanDerWaalsContact C-N 3.28Å; I52-S54 PolarHBondContact O-N 3.35Å; S54-D56 PolarHBondContact O-N 2.94Å
55C82.1Confident87.8Confident4 Ų477.4 Ų77.43%0.02743%0.425CS..  trans-90.485.4179.5-62.60000111R50 I52 S53 R61R50-C55 PolarHBondContact NE-SG 3.43Å; I52-C55 WeakPolarHBondContact O-CB 3.41Å; I52-C55 PolarHBondContact O-N 3.07Å; S53-C55 VanDerWaalsContact C-N 3.32Å; C55-R61 HydrophobicContact CB-CB 4.45Å
56D81.8Confident88.4Confident138 Ų13871.7 Ų71.774%0.73839%0.387SS*.  trans-82134.2172.1-163.811.6000111.5S54 K60S54-D56 PolarHBondContact O-N 2.94Å; D56-K60 WeakPolarHBondContact O-CD 3.4Å
57G87.2Confident88.9Confident36 Ų3669 Ų6937%0.37137%0.371SS..SBendtrans88.7154.5-175.400000115.8R61G57-R61 WeakPolarHBondContact O-CB 3.4Å; G57-R61 PolarHBondContact O-N 3.27Å
58K89.2Confident89.5Confident111 Ų11166.7 Ų66.748%0.48335%0.346SS..Hα-helixtrans-64.5-44.2-176.5-68.4-164.5-179.6-164.40112.5R61 R62 E100 V101K58-R61 PolarHBondContact O-N 3.15Å; K58-R62 WeakPolarHBondContact O-CB 3.34Å; K58-R62 PolarHBondContact O-N 3.17Å; K58-E100 IonicContact NZ-OE2 3.5Å; K58-E100 PolarHBondContact NZ-OE2 3.18Å; K58-V101 HydrophobicContact CB-CG2 4.15Å; K58-V101 HydrophobicContact CD-CG2 4.44Å; K58-V101 HydrophobicContact CG-CG2 4.22Å
59D91.4Very high90.1Very high134 Ų13460.5 Ų60.572%0.71732%0.317SS*.Hα-helixtrans-67.1-47.2-175-59.2-36.8000112.8R61 R62 E63D59-R61 VanDerWaalsContact C-N 3.27Å; D59-R61 PolarHBondContact O-N 3.48Å; D59-R62 WeakPolarHBondContact O-CB 3.28Å; D59-R62 PolarHBondContact O-N 2.84Å; D59-R62 VanDerWaalsContact O-N 3.14Å; D59-E63 PolarHBondContact O-N 3.06Å
60K91.3Very high90.5Very high114 Ų11460.2 Ų60.250%0.49631%0.313SS..Hα-helixtrans-61.2-38.1176.7-73.5179.6179.6174.20111.6D56 F64D56-K60 WeakPolarHBondContact O-CD 3.4Å; K60-F64 WeakPolarHBondContact O-CB 3.36Å; K60-F64 PolarHBondContact O-N 3.49Å
61R92.6Very high90.9Very high44 Ų4460.6 Ų60.617%0.16632%0.319CS..Hα-helixtrans-67.3-39.7175.7-174.7179.2-64.7155.99.2111.8C55 G57 K58 D59 F64 L65 F98 V101C55-R61 HydrophobicContact CB-CB 4.45Å; G57-R61 WeakPolarHBondContact O-CB 3.4Å; G57-R61 PolarHBondContact O-N 3.27Å; K58-R61 PolarHBondContact O-N 3.15Å; D59-R61 VanDerWaalsContact C-N 3.27Å; D59-R61 PolarHBondContact O-N 3.48Å; R61-F64 PolarHBondContact O-N 3.03Å; R61-L65 HydrophobicContact CG-CD1 4.04Å; R61-L65 HydrophobicContact CG-CG 4.5Å; R61-L65 WeakPolarHBondContact O-CB 3.41Å; R61-L65 WeakPolarHBondContact O-CG 3.46Å; R61-L65 PolarHBondContact O-N 3.22Å; R61-F98 HydrophobicContact CG-CD2 4.47Å; R61-V101 HydrophobicContact CB-CG1 4.48Å; R61-V101 HydrophobicContact CG-CG1 4.24Å
62R94.5Very high91.2Very high89 Ų8958.8 Ų58.834%0.33631%0.306SS..Hα-helixtrans-62.1-47.4175.6-171-172.7-172.5-84.7-8.9111.5K58 D59 L65 T66 V101 D104 V105K58-R62 WeakPolarHBondContact O-CB 3.34Å; K58-R62 PolarHBondContact O-N 3.17Å; D59-R62 WeakPolarHBondContact O-CB 3.28Å; D59-R62 PolarHBondContact O-N 2.84Å; D59-R62 VanDerWaalsContact O-N 3.14Å; R62-L65 PolarHBondContact O-N 3.2Å; R62-T66 WeakPolarHBondContact O-CB 3.21Å; R62-T66 PolarHBondContact O-N 3.02Å; R62-T66 PolarHBondContact O-OG1 2.98Å; R62-V101 HydrophobicContact CB-CG1 3.79Å; R62-V101 HydrophobicContact CG-CG1 4.31Å; R62-D104 IonicContact CZ-OD2 2.81Å; R62-D104 IonicContact NE-OD2 2.74Å; R62-D104 PolarHBondContact NE-OD2 3Å; R62-D104 IonicContact NH2-OD2 3.73Å; R62-D104 PolarHBondContact NH2-OD2 3.21Å; R62-D104 VanDerWaalsContact NH2-OD2 3.11Å; R62-V105 HydrophobicContact CG-CG2 3.8Å
63E93.8Very high91.7Very high117 Ų11757.8 Ų57.855%0.54730%0.301SS..Hα-helixtrans-59.5-46.2176.2-174.9-171.5179.900111.5D59 T66 T67D59-E63 PolarHBondContact O-N 3.06Å; E63-T66 PolarHBondContact O-N 2.88Å; E63-T67 PolarHBondContact O-N 3.22Å; E63-T67 VanDerWaalsContact O-N 3.08Å; E63-T67 PolarHBondContact O-OG1 2.71Å
64F95.1Very high92.4Very high1 Ų158.2 Ų58.20%0.00429%0.288CS..Hα-helixtrans-57.6-54.3175.8176.9-83.5000111.5T40 I42 R50 I52 K60 R61 T66 T67 F68T40-F64 HydrophobicContact CG2-CE1 4.43Å; T40-F64 HydrophobicContact CG2-CZ 4.45Å; I42-F64 HydrophobicContact CB-CE2 4.27Å; I42-F64 HydrophobicContact CD1-CB 4.44Å; I42-F64 HydrophobicContact CD1-CD2 3.55Å; I42-F64 HydrophobicContact CD1-CE2 4.11Å; I42-F64 HydrophobicContact CD1-CG 4.28Å; I42-F64 HydrophobicContact CG1-CD2 3.71Å; I42-F64 HydrophobicContact CG1-CE2 3.73Å; I42-F64 HydrophobicContact CG2-CD2 4.21Å; I42-F64 HydrophobicContact CG2-CE2 3.9Å; I42-F64 HydrophobicContact CG2-CZ 4.2Å; R50-F64 WeakPolarHBondContact O-CE2 3.45Å; I52-F64 HydrophobicContact CB-CD1 4.19Å; I52-F64 HydrophobicContact CB-CE1 3.57Å; I52-F64 HydrophobicContact CB-CE2 4.47Å; I52-F64 HydrophobicContact CB-CZ 3.73Å; I52-F64 HydrophobicContact CD1-CD1 4.12Å; I52-F64 HydrophobicContact CD1-CE1 3.76Å; I52-F64 HydrophobicContact CG1-CD1 3.86Å; I52-F64 HydrophobicContact CG1-CE1 3.63Å; I52-F64 HydrophobicContact CG1-CZ 4.3Å; K60-F64 WeakPolarHBondContact O-CB 3.36Å; K60-F64 PolarHBondContact O-N 3.49Å; R61-F64 PolarHBondContact O-N 3.03Å; F64-T66 VanDerWaalsContact C-N 3.32Å; F64-T66 PolarHBondContact O-N 2.91Å; F64-T67 PolarHBondContact O-N 2.97Å; F64-F68 HydrophobicContact CD1-CB 4.43Å; F64-F68 HydrophobicContact CE1-CB 4.11Å; F64-F68 HydrophobicContact CE1-CG 4.23Å; F64-F68 VanDerWaalsContact O-CB 3.23Å; F64-F68 WeakPolarHBondContact O-CB 3.4Å; F64-F68 PolarHBondContact O-N 3.42Å
65L95.7Very high93Very high0 Ų064 Ų640%030%0.299CS..Hα-helixtrans-63.5-38.5-177.1-76.1172.4000112I52 R61 R62 F68 L69 F98 V101 L102 V105I52-L65 HydrophobicContact CD1-CD2 4.01Å; R61-L65 HydrophobicContact CG-CD1 4.04Å; R61-L65 HydrophobicContact CG-CG 4.5Å; R61-L65 WeakPolarHBondContact O-CB 3.41Å; R61-L65 WeakPolarHBondContact O-CG 3.46Å; R61-L65 PolarHBondContact O-N 3.22Å; R62-L65 PolarHBondContact O-N 3.2Å; L65-F68 PolarHBondContact O-N 2.93Å; L65-L69 VanDerWaalsContact O-CB 3.23Å; L65-L69 WeakPolarHBondContact O-CB 3.47Å; L65-L69 VanDerWaalsContact O-CG 3.26Å; L65-L69 WeakPolarHBondContact O-CG 3.46Å; L65-L69 PolarHBondContact O-N 3.09Å; L65-F98 HydrophobicContact CD1-CE2 4.31Å; L65-F98 HydrophobicContact CD1-CZ 4.47Å; L65-F98 HydrophobicContact CD2-CZ 4.31Å; L65-V101 HydrophobicContact CD1-CG1 3.97Å; L65-L102 HydrophobicContact CD1-CB 4.38Å; L65-L102 HydrophobicContact CD1-CD1 4.13Å; L65-L102 HydrophobicContact CD2-CD1 4.16Å; L65-V105 HydrophobicContact CB-CG2 4.18Å
66T96.3Very high93.6Very high21 Ų2166.3 Ų66.313%0.12931%0.31CS..Hα-helixtrans-59.5-51.1176.1-58.40000110.6R62 E63 F64 Y70 H109R62-T66 WeakPolarHBondContact O-CB 3.21Å; R62-T66 PolarHBondContact O-N 3.02Å; R62-T66 PolarHBondContact O-OG1 2.98Å; E63-T66 PolarHBondContact O-N 2.88Å; F64-T66 VanDerWaalsContact C-N 3.32Å; F64-T66 PolarHBondContact O-N 2.91Å; T66-Y70 WeakPolarHBondContact O-CB 3.35Å; T66-Y70 PolarHBondContact O-N 3.35Å; T66-H109 WeakPolarHBondContact CG2-NE2 3.18Å
67T95.3Very high94.3Very high57 Ų5760 Ų6035%0.3528%0.276SS..Hα-helixtrans-65.2-43.7179.8-54.60000111.7I42 E63 F64 Y70 N71I42-T67 HydrophobicContact CD1-CG2 4.42Å; I42-T67 HydrophobicContact CG2-CG2 4.32Å; E63-T67 PolarHBondContact O-N 3.22Å; E63-T67 VanDerWaalsContact O-N 3.08Å; E63-T67 PolarHBondContact O-OG1 2.71Å; F64-T67 PolarHBondContact O-N 2.97Å; T67-Y70 PolarHBondContact O-N 2.81Å; T67-N71 PolarHBondContact O-N 3.35Å; T67-N71 VanDerWaalsContact O-N 3.08Å; T67-N71 PolarHBondContact O-ND2 3.28Å
68F96.5Very high94.6Very high4 Ų464.5 Ų64.52%0.01829%0.291CS..Hα-helixtrans-64-50-179.1-176.8-114.7000112T24 I38 P39 T40 I42 F64 L65 Y70 N71 I72T24-F68 HydrophobicContact CG2-CE1 4.02Å; T24-F68 HydrophobicContact CG2-CZ 4.2Å; T24-F68 WeakPolarHBondContact OG1-CE1 3.4Å; T24-F68 WeakPolarHBondContact OG1-CZ 3.49Å; I38-F68 HydrophobicContact CD1-CE2 4.05Å; I38-F68 HydrophobicContact CD1-CZ 4.05Å; I38-F68 HydrophobicContact CG1-CZ 4.28Å; P39-F68 WeakPolarHBondContact O-CE2 3.26Å; T40-F68 HydrophobicContact CG2-CE1 4.18Å; T40-F68 HydrophobicContact CG2-CZ 4.14Å; I42-F68 HydrophobicContact CG2-CB 3.72Å; I42-F68 HydrophobicContact CG2-CD2 4.01Å; I42-F68 HydrophobicContact CG2-CG 4.34Å; F64-F68 HydrophobicContact CD1-CB 4.43Å; F64-F68 HydrophobicContact CE1-CB 4.11Å; F64-F68 HydrophobicContact CE1-CG 4.23Å; F64-F68 VanDerWaalsContact O-CB 3.23Å; F64-F68 WeakPolarHBondContact O-CB 3.4Å; F64-F68 PolarHBondContact O-N 3.42Å; L65-F68 PolarHBondContact O-N 2.93Å; F68-Y70 VanDerWaalsContact C-N 3.34Å; F68-Y70 PolarHBondContact O-N 3.46Å; F68-N71 WeakPolarHBondContact O-CB 3.43Å; F68-N71 PolarHBondContact O-N 3.15Å; F68-I72 HydrophobicContact CD1-CD1 3.87Å; F68-I72 HydrophobicContact CE1-CD1 3.45Å; F68-I72 VanDerWaalsContact CE1-CD1 3.45Å; F68-I72 HydrophobicContact CE2-CD1 4.39Å; F68-I72 HydrophobicContact CZ-CD1 3.74Å; F68-I72 PolarHBondContact O-N 3.14Å
69L96.9Very high94.8Very high0 Ų060.2 Ų60.20%027%0.274CS..Hα-helixtrans-67.5-34.4178-69.6171.5000111.9F17 L65 N71 I72 Y73 L102 V105 F106 F110F17-L69 HydrophobicContact CD1-CD2 4.09Å; F17-L69 HydrophobicContact CE1-CD2 3.67Å; F17-L69 HydrophobicContact CZ-CD2 4.09Å; L65-L69 VanDerWaalsContact O-CB 3.23Å; L65-L69 WeakPolarHBondContact O-CB 3.47Å; L65-L69 VanDerWaalsContact O-CG 3.26Å; L65-L69 WeakPolarHBondContact O-CG 3.46Å; L65-L69 PolarHBondContact O-N 3.09Å; L69-N71 VanDerWaalsContact C-N 3.31Å; L69-N71 PolarHBondContact O-N 3.33Å; L69-I72 HydrophobicContact CD2-CD1 4.28Å; L69-I72 PolarHBondContact O-N 3.11Å; L69-I72 VanDerWaalsContact O-N 3.15Å; L69-Y73 HydrophobicContact CB-CD2 4.4Å; L69-Y73 HydrophobicContact CB-CE2 4.5Å; L69-Y73 VanDerWaalsContact O-CD2 3.24Å; L69-Y73 WeakPolarHBondContact O-CD2 3.44Å; L69-Y73 PolarHBondContact O-N 2.78Å; L69-L102 HydrophobicContact CD1-CD1 4.05Å; L69-V105 HydrophobicContact CD1-CG1 3.75Å; L69-F106 HydrophobicContact CD1-CD1 4.25Å; L69-F106 HydrophobicContact CD1-CE1 3.68Å; L69-F106 HydrophobicContact CD1-CE2 4.4Å; L69-F106 HydrophobicContact CD1-CZ 3.77Å; L69-F106 HydrophobicContact CD2-CE1 4.04Å; L69-F106 HydrophobicContact CD2-CZ 3.93Å; L69-F106 HydrophobicContact CG-CE1 4.46Å; L69-F110 HydrophobicContact CB-CD2 4.45Å; L69-F110 HydrophobicContact CB-CE2 3.5Å; L69-F110 HydrophobicContact CB-CZ 3.77Å; L69-F110 HydrophobicContact CD1-CD2 4.47Å; L69-F110 HydrophobicContact CD1-CE2 4.04Å; L69-F110 HydrophobicContact CG-CE2 4.44Å
70Y96.2Very high95Very high122 Ų12256.9 Ų56.948%0.47826%0.256SS..Hα-helixtrans-58-47173.3-178.3-83000110.5T66 T67 F68 I72 Y73 Y74T66-Y70 WeakPolarHBondContact O-CB 3.35Å; T66-Y70 PolarHBondContact O-N 3.35Å; T67-Y70 PolarHBondContact O-N 2.81Å; F68-Y70 VanDerWaalsContact C-N 3.34Å; F68-Y70 PolarHBondContact O-N 3.46Å; Y70-I72 VanDerWaalsContact C-N 3.34Å; Y70-I72 PolarHBondContact O-N 2.83Å; Y70-Y73 PolarHBondContact O-N 3.32Å; Y70-Y74 AromaticContact CD1-CD2 3.98Å; Y70-Y74 HydrophobicContact CD1-CD2 3.98Å; Y70-Y74 AromaticContact CD2-CD2 3.39Å; Y70-Y74 HydrophobicContact CD2-CD2 3.39Å; Y70-Y74 AromaticContact CD2-CE2 3.39Å; Y70-Y74 HydrophobicContact CD2-CE2 3.39Å; Y70-Y74 AromaticContact CE1-CD2 3.93Å; Y70-Y74 HydrophobicContact CE1-CD2 3.93Å; Y70-Y74 AromaticContact CE2-CD2 3.34Å; Y70-Y74 HydrophobicContact CE2-CD2 3.34Å; Y70-Y74 AromaticContact CE2-CE2 3.36Å; Y70-Y74 HydrophobicContact CE2-CE2 3.36Å; Y70-Y74 HydrophobicContact CE2-CG 4.35Å; Y70-Y74 AromaticContact CG-CD2 3.7Å; Y70-Y74 HydrophobicContact CG-CD2 3.7Å; Y70-Y74 HydrophobicContact CG-CE2 4.12Å; Y70-Y74 AromaticContact CZ-CD2 3.61Å; Y70-Y74 VanDerWaalsContact O-CD2 3.29Å; Y70-Y74 WeakPolarHBondContact O-CD2 3.34Å; Y70-Y74 PolarHBondContact O-N 2.97Å
71N95Very high95.1Very high55 Ų5551.5 Ų51.529%0.29423%0.233SC..Hα-helixtrans-60.2-43.8174.6-70.9-31000111.4T67 F68 L69 R75 H76T67-N71 PolarHBondContact O-N 3.35Å; T67-N71 VanDerWaalsContact O-N 3.08Å; T67-N71 PolarHBondContact O-ND2 3.28Å; F68-N71 WeakPolarHBondContact O-CB 3.43Å; F68-N71 PolarHBondContact O-N 3.15Å; L69-N71 VanDerWaalsContact C-N 3.31Å; L69-N71 PolarHBondContact O-N 3.33Å; N71-R75 WeakPolarHBondContact O-CA 3.32Å; N71-R75 WeakPolarHBondContact O-CB 3.34Å; N71-R75 PolarHBondContact O-N 3.28Å; N71-H76 PolarHBondContact O-CD2 3.23Å; N71-H76 PolarHBondContact O-N 3.49Å
72I96.3Very high95.1Very high0 Ų054 Ų540%025%0.245CC..Iπ-helixtrans-60.9-50.9177.7-65.8167.1000111.5F17 T24 C26 I38 F68 L69 Y70 H76 L77F17-I72 HydrophobicContact CD1-CD1 4.42Å; F17-I72 HydrophobicContact CE1-CB 4.34Å; F17-I72 HydrophobicContact CE1-CD1 4.09Å; F17-I72 HydrophobicContact CE1-CG2 3.69Å; F17-I72 HydrophobicContact CZ-CG2 4.34Å; T24-I72 HydrophobicContact CG2-CD1 4.17Å; C26-I72 HydrophobicContact CB-CG2 4.04Å; I38-I72 HydrophobicContact CD1-CD1 3.98Å; I38-I72 HydrophobicContact CD1-CG1 3.53Å; F68-I72 HydrophobicContact CD1-CD1 3.87Å; F68-I72 HydrophobicContact CE1-CD1 3.45Å; F68-I72 VanDerWaalsContact CE1-CD1 3.45Å; F68-I72 HydrophobicContact CE2-CD1 4.39Å; F68-I72 HydrophobicContact CZ-CD1 3.74Å; F68-I72 PolarHBondContact O-N 3.14Å; L69-I72 HydrophobicContact CD2-CD1 4.28Å; L69-I72 PolarHBondContact O-N 3.11Å; L69-I72 VanDerWaalsContact O-N 3.15Å; Y70-I72 VanDerWaalsContact C-N 3.34Å; Y70-I72 PolarHBondContact O-N 2.83Å; I72-H76 WeakPolarHBondContact O-CB 3.47Å; I72-H76 PolarHBondContact O-N 3.31Å; I72-L77 HydrophobicContact CG2-CD1 3.71Å; I72-L77 HydrophobicContact CG2-CG 3.86Å; I72-L77 PolarHBondContact O-N 2.58Å
73Y96.4Very high94.9Very high0 Ų053.4 Ų53.40%025%0.248CC..Iπ-helixtrans-64.7-47-177.1-81.7-65.7000112.9V15 F17 L69 Y70 L78 V79 P81 V86 F106 F110V15-Y73 HydrophobicContact CG1-CE1 4.38Å; V15-Y73 HydrophobicContact CG2-CE1 4.18Å; F17-Y73 HydrophobicContact CE2-CE2 4.47Å; F17-Y73 AromaticContact CE2-CZ 3.9Å; F17-Y73 WeakPolarHBondContact CE2-OH 3.48Å; F17-Y73 HydrophobicContact CZ-CE1 4.16Å; F17-Y73 AromaticContact CZ-CE2 3.89Å; F17-Y73 HydrophobicContact CZ-CE2 3.89Å; F17-Y73 AromaticContact CZ-CZ 3.61Å; L69-Y73 HydrophobicContact CB-CD2 4.4Å; L69-Y73 HydrophobicContact CB-CE2 4.5Å; L69-Y73 VanDerWaalsContact O-CD2 3.24Å; L69-Y73 WeakPolarHBondContact O-CD2 3.44Å; L69-Y73 PolarHBondContact O-N 2.78Å; Y70-Y73 PolarHBondContact O-N 3.32Å; Y73-L78 VanDerWaalsContact O-CA 3.31Å; Y73-L78 WeakPolarHBondContact O-CA 3.28Å; Y73-L78 PolarHBondContact O-N 3.01Å; Y73-V79 HydrophobicContact CD1-CG2 3.86Å; Y73-V79 HydrophobicContact CE1-CG2 4.32Å; Y73-V79 PolarHBondContact O-N 2.81Å; Y73-P81 HydrophobicContact CD1-CB 3.92Å; Y73-P81 HydrophobicContact CD1-CG 4.39Å; Y73-P81 HydrophobicContact CD2-CB 4.09Å; Y73-P81 HydrophobicContact CD2-CG 4.32Å; Y73-P81 HydrophobicContact CE1-CB 3.68Å; Y73-P81 HydrophobicContact CE2-CB 3.86Å; Y73-P81 HydrophobicContact CG-CB 4.13Å; Y73-P81 HydrophobicContact CG-CG 4.25Å; Y73-V86 WeakPolarHBondContact OH-CG2 3.28Å; Y73-F106 HydrophobicContact CE2-CE1 4.1Å; Y73-F110 HydrophobicContact CD2-CD1 4.33Å; Y73-F110 HydrophobicContact CD2-CE1 4.19Å; Y73-F110 HydrophobicContact CD2-CZ 4.4Å; Y73-F110 HydrophobicContact CE2-CG 4.48Å
74Y95.7Very high94.8Very high106 Ų10649.8 Ų49.842%0.41623%0.23SC..Iπ-helixtrans-98.5-19.4-169.2-62.2-68000115Y70 L78 F110Y70-Y74 AromaticContact CD1-CD2 3.98Å; Y70-Y74 HydrophobicContact CD1-CD2 3.98Å; Y70-Y74 AromaticContact CD2-CD2 3.39Å; Y70-Y74 HydrophobicContact CD2-CD2 3.39Å; Y70-Y74 AromaticContact CD2-CE2 3.39Å; Y70-Y74 HydrophobicContact CD2-CE2 3.39Å; Y70-Y74 AromaticContact CE1-CD2 3.93Å; Y70-Y74 HydrophobicContact CE1-CD2 3.93Å; Y70-Y74 AromaticContact CE2-CD2 3.34Å; Y70-Y74 HydrophobicContact CE2-CD2 3.34Å; Y70-Y74 AromaticContact CE2-CE2 3.36Å; Y70-Y74 HydrophobicContact CE2-CE2 3.36Å; Y70-Y74 HydrophobicContact CE2-CG 4.35Å; Y70-Y74 AromaticContact CG-CD2 3.7Å; Y70-Y74 HydrophobicContact CG-CD2 3.7Å; Y70-Y74 HydrophobicContact CG-CE2 4.12Å; Y70-Y74 AromaticContact CZ-CD2 3.61Å; Y70-Y74 VanDerWaalsContact O-CD2 3.29Å; Y70-Y74 WeakPolarHBondContact O-CD2 3.34Å; Y70-Y74 PolarHBondContact O-N 2.97Å; Y74-L78 WeakPolarHBondContact O-CD2 3.25Å; Y74-F110 HydrophobicContact CE2-CE1 4.42Å
75R94.3Very high94.7Very high191 Ų19152.6 Ų52.672%0.72124%0.24SC*.Iπ-helixtrans-105.1-35.2178.3-170.2178.6175.8153.5-1.1113.1N71N71-R75 WeakPolarHBondContact O-CA 3.32Å; N71-R75 WeakPolarHBondContact O-CB 3.34Å; N71-R75 PolarHBondContact O-N 3.28Å
76H94.8Very high94.7Very high52 Ų5252.6 Ų52.624%0.24124%0.24CC..Iπ-helixtrans-101.1-60.2-175.7-65.6-78.9000112.1F36 N71 I72F36-H76 HydrophobicContact CD2-CB 3.81Å; F36-H76 HydrophobicContact CE2-CB 3.91Å; F36-H76 WeakPolarHBondContact CE2-O 3.35Å; F36-H76 HydrophobicContact CG-CB 4.24Å; F36-H76 HydrophobicContact CZ-CB 4.41Å; F36-H76 WeakPolarHBondContact CZ-O 3.49Å; N71-H76 PolarHBondContact O-CD2 3.23Å; N71-H76 PolarHBondContact O-N 3.49Å; I72-H76 WeakPolarHBondContact O-CB 3.47Å; I72-H76 PolarHBondContact O-N 3.31Å
77L95.1Very high94.7Very high6 Ų651.6 Ų51.63%0.03123%0.234CC..Iπ-helixtrans-78.8-26.1-175-62.2-179000113.1V15 F28 F36 I72 V79V15-L77 HydrophobicContact CG1-CD1 3.46Å; V15-L77 VanDerWaalsContact CG1-CD1 3.46Å; F28-L77 HydrophobicContact CE2-CD2 4.09Å; F28-L77 HydrophobicContact CZ-CB 4.21Å; F28-L77 HydrophobicContact CZ-CD2 4.25Å; F36-L77 HydrophobicContact CD2-CD2 4.13Å; F36-L77 HydrophobicContact CE2-CD2 4.3Å; I72-L77 HydrophobicContact CG2-CD1 3.71Å; I72-L77 HydrophobicContact CG2-CG 3.86Å; I72-L77 PolarHBondContact O-N 2.58Å; L77-V79 VanDerWaalsContact C-N 3.33Å; L77-V79 HydrophobicContact CB-CG2 3.83Å; L77-V79 PolarHBondContact O-N 2.9Å
78L95.2Very high94.8Very high131 Ų13149 Ų4969%0.68622%0.218SC*.  trans56.243.6-178.6-51.5179.3000112.6Y73 Y74Y73-L78 VanDerWaalsContact O-CA 3.31Å; Y73-L78 WeakPolarHBondContact O-CA 3.28Å; Y73-L78 PolarHBondContact O-N 3.01Å; Y74-L78 WeakPolarHBondContact O-CD2 3.25Å
79V93.7Very high94.7Very high21 Ų2149 Ų4913%0.12722%0.218CC..  trans-132150-177.7-64.20000112.4V15 F28 Y73 L77 P81V15-V79 HydrophobicContact CG2-CG2 4.43Å; F28-V79 HydrophobicContact CE1-CG1 3.96Å; F28-V79 HydrophobicContact CE1-CG2 4.2Å; F28-V79 HydrophobicContact CZ-CG1 3.69Å; F28-V79 HydrophobicContact CZ-CG2 4.25Å; Y73-V79 HydrophobicContact CD1-CG2 3.86Å; Y73-V79 HydrophobicContact CE1-CG2 4.32Å; Y73-V79 PolarHBondContact O-N 2.81Å; L77-V79 VanDerWaalsContact C-N 3.33Å; L77-V79 HydrophobicContact CB-CG2 3.83Å; L77-V79 PolarHBondContact O-N 2.9Å; V79-P81 WeakPolarHBondContact O-CD 2.99Å
80N93.9Very high94.5Very high63 Ų6349.6 Ų49.634%0.33722%0.221SC..  trans-77121171.3-176.53.8000110.2K82 D83N80-K82 VanDerWaalsContact C-N 3.3Å; N80-K82 PolarHBondContact O-N 2.97Å; N80-K82 PolarHBondContact OD1-N 2.81Å; N80-K82 VanDerWaalsContact OD1-N 3.13Å; N80-D83 PolarHBondContact ND2-OD2 3.19Å
81P93.1Very high94.2Very high1 Ų145.3 Ų45.31%0.00621%0.209CC..G310 helixtrans-66.3-27.3178.823.2-31.7000114.1Y73 V79 D83 R84 F110Y73-P81 HydrophobicContact CD1-CB 3.92Å; Y73-P81 HydrophobicContact CD1-CG 4.39Å; Y73-P81 HydrophobicContact CD2-CB 4.09Å; Y73-P81 HydrophobicContact CD2-CG 4.32Å; Y73-P81 HydrophobicContact CE1-CB 3.68Å; Y73-P81 HydrophobicContact CE2-CB 3.86Å; Y73-P81 HydrophobicContact CG-CB 4.13Å; Y73-P81 HydrophobicContact CG-CG 4.25Å; V79-P81 WeakPolarHBondContact O-CD 2.99Å; P81-D83 PolarHBondContact O-N 3.28Å; P81-R84 PolarHBondContact O-N 3.4Å; P81-F110 HydrophobicContact CB-CB 3.91Å; P81-F110 HydrophobicContact CB-CD1 4.21Å; P81-F110 HydrophobicContact CB-CG 4.32Å; P81-F110 HydrophobicContact CG-CB 3.97Å; P81-F110 HydrophobicContact CG-CD1 3.56Å; P81-F110 HydrophobicContact CG-CE1 4.45Å; P81-F110 HydrophobicContact CG-CG 4.12Å
82K92.9Very high93.8Very high96 Ų9644.3 Ų44.342%0.41721%0.205SC..G310 helixtrans-62.3-26.3-178.4-60.5-163.6176.6-162.10113.6N80 F110 E111N80-K82 VanDerWaalsContact C-N 3.3Å; N80-K82 PolarHBondContact O-N 2.97Å; N80-K82 PolarHBondContact OD1-N 2.81Å; N80-K82 VanDerWaalsContact OD1-N 3.13Å; K82-F110 WeakPolarHBondContact CG-O 3.5Å; K82-E111 HydrophobicContact CD-CB 4.2Å; K82-E111 VanDerWaalsContact CE-CD 3.42Å; K82-E111 WeakPolarHBondContact CE-OE1 3.38Å; K82-E111 VanDerWaalsContact CE-OE2 3.29Å; K82-E111 WeakPolarHBondContact CE-OE2 3.31Å; K82-E111 HydrophobicContact CG-CB 4.09Å; K82-E111 IonicContact NZ-OE1 2.8Å; K82-E111 PolarHBondContact NZ-OE1 3.48Å; K82-E111 IonicContact NZ-OE2 2.82Å; K82-E111 PolarHBondContact NZ-OE2 2.98Å
83D91Very high93.5Very high77 Ų7747.4 Ų47.441%0.41222%0.221SC..G310 helixtrans-97.81.6-172.9-52-27.3000113.1K12 N80 P81K12-D83 HydrophobicContact CD-CB 3.68Å; K12-D83 IonicContact NZ-OD2 3.83Å; K12-D83 PolarHBondContact NZ-OD2 3.21Å; N80-D83 PolarHBondContact ND2-OD2 3.19Å; P81-D83 PolarHBondContact O-N 3.28Å
84R91.9Very high93.1Very high42 Ų4248.5 Ų48.516%0.15823%0.229CC..SBendtrans-133.6134.6-171.4-70.9-176.8178.8-108.56.4112.2K12 T13 V15 F28 P81 P113K12-R84 HydrophobicContact CB-CG 3.78Å; K12-R84 HydrophobicContact CD-CG 4.37Å; T13-R84 PolarHBondContact O-NH1 3.19Å; T13-R84 PolarHBondContact OG1-NH1 3.38Å; V15-R84 HydrophobicContact CG2-CB 4.1Å; F28-R84 VanDerWaalsContact CE1-NH1 3.26Å; P81-R84 PolarHBondContact O-N 3.4Å; R84-P113 VanDerWaalsContact O-CD 3.24Å; R84-P113 WeakPolarHBondContact O-CD 3.33Å
85R93.6Very high92.7Very high60 Ų6047 Ų4723%0.22623%0.232CC..  trans-65.4155.8170.2-57.9-178.1-177.2132.13.9110.1E11 A14 V15 P113 S114 L370E11-R85 IonicContact OE1-CZ 2.69Å; E11-R85 IonicContact OE1-NH1 3.69Å; E11-R85 PolarHBondContact OE1-NH1 3.32Å; E11-R85 IonicContact OE1-NH2 2.87Å; E11-R85 PolarHBondContact OE1-NH2 3.31Å; E11-R85 IonicContact OE2-CZ 2.71Å; E11-R85 IonicContact OE2-NH1 3.3Å; E11-R85 PolarHBondContact OE2-NH1 3.08Å; E11-R85 IonicContact OE2-NH2 3.86Å; A14-R85 CarbonylContact C-O 3.56Å; A14-R85 VanDerWaalsContact CA-O 3.25Å; A14-R85 WeakPolarHBondContact CA-O 3.45Å; A14-R85 HydrophobicContact CB-CB 4.11Å; V15-R85 PolarHBondContact N-O 3.02Å; R85-P113 HydrophobicContact CG-CG 4.22Å; R85-S114 WeakPolarHBondContact CG-OG 3.37Å; R85-L370 HydrophobicContact CB-CD2 4.32Å
86V95.5Very high92.4Very high0 Ų040.8 Ų40.80%022%0.218CC..EExtended strand (participates in β ladder)trans-120.7135-178.4-177.80000110.1V15 F17 Y73 V88 F106 A112 S114 V115 L116V15-V86 CarbonylContact O-C 3.59Å; V15-V86 WeakPolarHBondContact O-CA 3.44Å; F17-V86 HydrophobicContact CD2-CG1 3.7Å; F17-V86 HydrophobicContact CE2-CG1 3.88Å; Y73-V86 WeakPolarHBondContact OH-CG2 3.28Å; V86-V88 HydrophobicContact CG1-CG2 3.94Å; V86-F106 HydrophobicContact CG1-CD1 4.39Å; V86-F106 HydrophobicContact CG1-CD2 4.46Å; V86-F106 HydrophobicContact CG1-CE1 4.02Å; V86-F106 HydrophobicContact CG1-CE2 4.07Å; V86-F106 HydrophobicContact CG1-CZ 3.85Å; V86-F106 HydrophobicContact CG2-CD1 4.25Å; V86-F106 HydrophobicContact CG2-CE1 4.39Å; V86-A112 HydrophobicContact CG2-CB 3.98Å; V86-S114 PolarHBondContact N-O 2.89Å; V86-V115 HydrophobicContact CB-CG1 4.4Å; V86-V115 HydrophobicContact CB-CG2 4.16Å; V86-V115 HydrophobicContact CG1-CG1 4.37Å; V86-V115 CarbonylContact O-C 3.52Å; V86-V115 WeakPolarHBondContact O-CA 3.26Å; V86-L116 PolarHBondContact O-N 2.79Å
87V95.8Very high92.1Very high0 Ų040.4 Ų40.40%022%0.221CC..EExtended strand (participates in β ladder)trans-115.6123.1167.9179.90000107.7A14 V15 V16 F17 L116 A118 L370A14-V87 HydrophobicContact CB-CG2 4.34Å; V15-V87 PolarHBondContact O-N 3.35Å; V16-V87 CarbonylContact C-O 3.5Å; V16-V87 VanDerWaalsContact CA-O 3.3Å; V16-V87 WeakPolarHBondContact CA-O 3.27Å; V16-V87 HydrophobicContact CG1-CB 4.35Å; V16-V87 HydrophobicContact CG1-CG1 4.38Å; V16-V87 HydrophobicContact CG2-CB 4.28Å; F17-V87 PolarHBondContact N-O 3.33Å; V87-L116 CarbonylContact C-O 3.24Å; V87-L116 HydrophobicContact CG1-CD2 4.25Å; V87-L116 HydrophobicContact CG2-CB 4.47Å; V87-L116 HydrophobicContact CG2-CD2 4.45Å; V87-A118 HydrophobicContact CG1-CB 4.19Å; V87-L370 HydrophobicContact CG2-CD1 3.87Å; V87-L370 HydrophobicContact CG2-CD2 4.37Å
88V96.2Very high91.9Very high3 Ų341.5 Ų41.52%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-109.7112.4175.8-178.70000107.6F17 V86 L102 F106 V115 L116 F117 A118F17-V88 CarbonylContact O-C 3.55Å; F17-V88 WeakPolarHBondContact O-CA 3.43Å; V86-V88 HydrophobicContact CG1-CG2 3.94Å; V88-L102 HydrophobicContact CG1-CD2 3.85Å; V88-L102 HydrophobicContact CG2-CD2 4.31Å; V88-F106 HydrophobicContact CG2-CD2 4.48Å; V88-F106 HydrophobicContact CG2-CE2 3.69Å; V88-F106 HydrophobicContact CG2-CZ 4.34Å; V88-V115 HydrophobicContact CG2-CG1 4.02Å; V88-L116 PolarHBondContact N-O 3.17Å; V88-F117 HydrophobicContact CB-CD1 3.83Å; V88-F117 HydrophobicContact CB-CE1 4.1Å; V88-F117 HydrophobicContact CG1-CD1 4.05Å; V88-F117 HydrophobicContact CG1-CE1 4.27Å; V88-F117 HydrophobicContact CG2-CD1 4.34Å; V88-F117 HydrophobicContact CG2-CE1 4.12Å; V88-F117 CarbonylContact O-C 3.58Å; V88-F117 WeakPolarHBondContact O-CA 3.42Å; V88-A118 PolarHBondContact O-N 2.72Å
89V94.9Very high91.7Very high2 Ų235.5 Ų35.51%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-83118.9169.2-174.70000108V16 F17 D18 A118 M123V16-V89 HydrophobicContact CG1-CG2 4.19Å; F17-V89 PolarHBondContact O-N 3.03Å; D18-V89 HydrophobicContact CB-CB 4.18Å; V89-A118 CarbonylContact C-O 3.6Å; V89-A118 VanDerWaalsContact CA-O 3.3Å; V89-A118 WeakPolarHBondContact CA-O 3.22Å; V89-M123 HydrophobicContact CG2-CG 4.48Å
90E92.7Very high91.6Very high14 Ų1438 Ų387%0.06520%0.204CC..EExtended strand (participates in β ladder)trans-131160.4-178.458168.3-150.900111.6C94 R99 A118 T119 S120 W389E90-C94 HydrophobicContact CB-CB 4.3Å; E90-R99 IonicContact OE1-CZ 3.42Å; E90-R99 IonicContact OE1-NE 3.62Å; E90-R99 PolarHBondContact OE1-NE 3.18Å; E90-R99 IonicContact OE1-NH2 2.84Å; E90-R99 PolarHBondContact OE1-NH2 3.33Å; E90-R99 IonicContact OE2-CZ 3.32Å; E90-R99 IonicContact OE2-NE 3.2Å; E90-R99 PolarHBondContact OE2-NE 3.14Å; E90-R99 VanDerWaalsContact OE2-NE 3.17Å; E90-R99 IonicContact OE2-NH2 3.69Å; E90-A118 PolarHBondContact N-O 3.35Å; E90-T119 CarbonylContact O-C 3.43Å; E90-T119 WeakPolarHBondContact O-CA 3.49Å; E90-S120 PolarHBondContact O-N 3.25Å; E90-W389 HydrophobicContact CG-CZ2 4.24Å; E90-W389 PolarHBondContact OE1-NE1 3.3Å
91S89.7Confident91.6Very high32 Ų3235.5 Ų35.522%0.22419%0.191CC..  trans-77.9153.3170.51570000110.6L93 C94 Q144S91-L93 PolarHBondContact O-N 2.84Å; S91-L93 PolarHBondContact OG-N 3.42Å; S91-L93 VanDerWaalsContact OG-N 3.14Å; S91-C94 VanDerWaalsContact O-CB 3.22Å; S91-C94 WeakPolarHBondContact O-CB 3.36Å; S91-C94 PolarHBondContact O-N 2.76Å; S91-C94 VanDerWaalsContact O-N 3.07Å; S91-Q144 PolarHBondContact OG-NE2 3.34Å; S91-Q144 PolarHBondContact OG-OE1 2.87Å
92V87.9Confident91.7Very high33 Ų3335.5 Ų35.520%0.219%0.191CC..THydrogen-bonded Turntrans-59.2-29.8174.2179.30000112.2C94 T119 L146 L155V92-C94 VanDerWaalsContact C-N 3.28Å; V92-C94 PolarHBondContact O-N 3.11Å; V92-T119 HydrophobicContact CG2-CG2 3.8Å; V92-L146 HydrophobicContact CG2-CD2 3.67Å; V92-L155 HydrophobicContact CG1-CD2 3.89Å
93L88.2Confident91.7Very high65 Ų6530.9 Ų30.934%0.3417%0.171SC..THydrogen-bonded Turntrans-89.110.3179.3-54.2-175.4000113.4S91 P95 Q144 W158S91-L93 PolarHBondContact O-N 2.84Å; S91-L93 PolarHBondContact OG-N 3.42Å; S91-L93 VanDerWaalsContact OG-N 3.14Å; L93-P95 WeakPolarHBondContact O-CD 3.48Å; L93-Q144 HydrophobicContact CD1-CG 4.11Å; L93-W158 HydrophobicContact CD1-CE3 4.42Å; L93-W158 HydrophobicContact CD1-CH2 4.33Å; L93-W158 HydrophobicContact CD1-CZ3 3.64Å; L93-W158 HydrophobicContact CD2-CE3 3.97Å; L93-W158 HydrophobicContact CD2-CH2 3.66Å; L93-W158 HydrophobicContact CD2-CZ2 4.4Å; L93-W158 HydrophobicContact CD2-CZ3 3.43Å; L93-W158 VanDerWaalsContact CD2-CZ3 3.43Å; L93-W158 HydrophobicContact CG-CZ3 4.07Å
94C88.4Confident91.9Very high24 Ų2429 Ų2916%0.16216%0.161CC..  trans-61.4123172.8-168.10000109.6E90 S91 V92 S96 F98E90-C94 HydrophobicContact CB-CB 4.3Å; S91-C94 VanDerWaalsContact O-CB 3.22Å; S91-C94 WeakPolarHBondContact O-CB 3.36Å; S91-C94 PolarHBondContact O-N 2.76Å; S91-C94 VanDerWaalsContact O-N 3.07Å; V92-C94 VanDerWaalsContact C-N 3.28Å; V92-C94 PolarHBondContact O-N 3.11Å; C94-S96 PolarHBondContact O-N 3.06Å; C94-F98 WeakPolarHBondContact SG-CD1 3.29Å
95P88.3Confident92.1Very high75 Ų7527 Ų2749%0.48715%0.153SC..  trans-61.2136.6-178.7-23.533.4000111.7L93 S97 F98 R99L93-P95 WeakPolarHBondContact O-CD 3.48Å; P95-S97 PolarHBondContact O-N 3.1Å; P95-S97 VanDerWaalsContact O-N 3.14Å; P95-F98 HydrophobicContact CB-CB 4.4Å; P95-F98 WeakPolarHBondContact O-CA 3.27Å; P95-F98 VanDerWaalsContact O-CB 3.25Å; P95-F98 WeakPolarHBondContact O-CB 3.36Å; P95-F98 PolarHBondContact O-N 3.25Å; P95-R99 PolarHBondContact O-N 2.94Å
96S88Confident92.2Very high60 Ų6024.1 Ų24.142%0.4214%0.142SC..Hα-helixtrans-56.7-35.4177.9-42.50000112.3C94 F98 R99 E100C94-S96 PolarHBondContact O-N 3.06Å; S96-F98 PolarHBondContact O-N 3.03Å; S96-R99 PolarHBondContact O-N 2.85Å; S96-R99 VanDerWaalsContact O-N 3.14Å; S96-E100 WeakPolarHBondContact O-CG 3.5Å; S96-E100 PolarHBondContact O-N 3.46Å
97S88.7Confident92.3Very high44 Ų4424.1 Ų24.131%0.30814%0.142SC..Hα-helixtrans-61.2-29.7174.267.40000113.8P95 V101P95-S97 PolarHBondContact O-N 3.1Å; P95-S97 VanDerWaalsContact O-N 3.14Å; S97-V101 VanDerWaalsContact O-CG2 3.27Å; S97-V101 WeakPolarHBondContact O-CG2 3.47Å; S97-V101 PolarHBondContact O-N 3.26Å
98F90.4Very high92.2Very high29 Ų2927.4 Ų27.413%0.12716%0.16CC..Hα-helixtrans-72.6-47.4173.4-179.1-90.8000110.3I19 I52 R61 L65 C94 P95 S96 E100 V101 L102I19-F98 HydrophobicContact CG2-CZ 4.37Å; I52-F98 HydrophobicContact CD1-CE2 3.53Å; I52-F98 HydrophobicContact CD1-CZ 3.82Å; I52-F98 HydrophobicContact CG1-CE2 4.26Å; R61-F98 HydrophobicContact CG-CD2 4.47Å; L65-F98 HydrophobicContact CD1-CE2 4.31Å; L65-F98 HydrophobicContact CD1-CZ 4.47Å; L65-F98 HydrophobicContact CD2-CZ 4.31Å; C94-F98 WeakPolarHBondContact SG-CD1 3.29Å; P95-F98 HydrophobicContact CB-CB 4.4Å; P95-F98 WeakPolarHBondContact O-CA 3.27Å; P95-F98 VanDerWaalsContact O-CB 3.25Å; P95-F98 WeakPolarHBondContact O-CB 3.36Å; P95-F98 PolarHBondContact O-N 3.25Å; S96-F98 PolarHBondContact O-N 3.03Å; F98-E100 VanDerWaalsContact C-N 3.34Å; F98-E100 PolarHBondContact O-N 3.46Å; F98-V101 PolarHBondContact O-N 3.38Å; F98-L102 HydrophobicContact CE1-CD2 3.98Å; F98-L102 WeakPolarHBondContact O-CB 3.3Å; F98-L102 PolarHBondContact O-N 3.19Å
99R91.2Very high92.1Very high5 Ų531.2 Ų31.22%0.01918%0.177CC..Hα-helixtrans-59.4-42.1178.5-164.4-172.9-63.6133.54.6112.4E90 P95 S96 L102 A103 F117 V386 D388 W389E90-R99 IonicContact OE1-CZ 3.42Å; E90-R99 IonicContact OE1-NE 3.62Å; E90-R99 PolarHBondContact OE1-NE 3.18Å; E90-R99 IonicContact OE1-NH2 2.84Å; E90-R99 PolarHBondContact OE1-NH2 3.33Å; E90-R99 IonicContact OE2-CZ 3.32Å; E90-R99 IonicContact OE2-NE 3.2Å; E90-R99 PolarHBondContact OE2-NE 3.14Å; E90-R99 VanDerWaalsContact OE2-NE 3.17Å; E90-R99 IonicContact OE2-NH2 3.69Å; P95-R99 PolarHBondContact O-N 2.94Å; S96-R99 PolarHBondContact O-N 2.85Å; S96-R99 VanDerWaalsContact O-N 3.14Å; R99-L102 PolarHBondContact O-N 3.25Å; R99-A103 WeakPolarHBondContact O-CB 3.36Å; R99-A103 PolarHBondContact O-N 2.96Å; R99-F117 HydrophobicContact CG-CD1 3.64Å; R99-F117 HydrophobicContact CG-CD2 4.13Å; R99-F117 HydrophobicContact CG-CE1 3.57Å; R99-F117 HydrophobicContact CG-CE2 4.07Å; R99-F117 HydrophobicContact CG-CG 3.94Å; R99-F117 HydrophobicContact CG-CZ 3.79Å; R99-V386 HydrophobicContact CG-CG1 3.95Å; R99-D388 IonicContact CZ-OD1 3.78Å; R99-D388 IonicContact NH1-OD1 3.73Å; R99-D388 PolarHBondContact NH1-OD1 2.91Å; R99-D388 IonicContact NH2-OD1 3.55Å; R99-W389 VanDerWaalsContact NH2-NE1 3.13Å
100E91.6Very high92.2Very high72 Ų7231.3 Ų31.334%0.33618%0.178SC..Hα-helixtrans-58.4-49.6174.5-75.7169.2-166.500112.2K58 S96 F98 L102 A103 D104K58-E100 IonicContact NZ-OE2 3.5Å; K58-E100 PolarHBondContact NZ-OE2 3.18Å; S96-E100 WeakPolarHBondContact O-CG 3.5Å; S96-E100 PolarHBondContact O-N 3.46Å; F98-E100 VanDerWaalsContact C-N 3.34Å; F98-E100 PolarHBondContact O-N 3.46Å; E100-L102 VanDerWaalsContact C-N 3.3Å; E100-L102 PolarHBondContact O-N 3.48Å; E100-A103 PolarHBondContact O-N 3.1Å; E100-D104 WeakPolarHBondContact O-CB 3.47Å; E100-D104 PolarHBondContact O-N 3.4Å
101V93.6Very high92.3Very high11 Ų1134.3 Ų34.37%0.06719%0.191CC..Hα-helixtrans-65.4-38.3179.3176.30000110.4K58 R61 R62 L65 S97 F98 D104 V105K58-V101 HydrophobicContact CB-CG2 4.15Å; K58-V101 HydrophobicContact CD-CG2 4.44Å; K58-V101 HydrophobicContact CG-CG2 4.22Å; R61-V101 HydrophobicContact CB-CG1 4.48Å; R61-V101 HydrophobicContact CG-CG1 4.24Å; R62-V101 HydrophobicContact CB-CG1 3.79Å; R62-V101 HydrophobicContact CG-CG1 4.31Å; L65-V101 HydrophobicContact CD1-CG1 3.97Å; S97-V101 VanDerWaalsContact O-CG2 3.27Å; S97-V101 WeakPolarHBondContact O-CG2 3.47Å; S97-V101 PolarHBondContact O-N 3.26Å; F98-V101 PolarHBondContact O-N 3.38Å; V101-D104 PolarHBondContact O-N 3.12Å; V101-V105 VanDerWaalsContact O-CG2 3.29Å; V101-V105 WeakPolarHBondContact O-CG2 3.43Å; V101-V105 PolarHBondContact O-N 3.46Å
102L94.4Very high92.6Very high1 Ų132.8 Ų32.81%0.00518%0.181CC..Hα-helixtrans-65.9-42.9177.6-172.659.7000111.7I19 L65 L69 V88 F98 R99 E100 V105 F106 F117I19-L102 HydrophobicContact CD1-CD1 3.95Å; I19-L102 HydrophobicContact CD1-CD2 3.89Å; L65-L102 HydrophobicContact CD1-CB 4.38Å; L65-L102 HydrophobicContact CD1-CD1 4.13Å; L65-L102 HydrophobicContact CD2-CD1 4.16Å; L69-L102 HydrophobicContact CD1-CD1 4.05Å; V88-L102 HydrophobicContact CG1-CD2 3.85Å; V88-L102 HydrophobicContact CG2-CD2 4.31Å; F98-L102 HydrophobicContact CE1-CD2 3.98Å; F98-L102 WeakPolarHBondContact O-CB 3.3Å; F98-L102 PolarHBondContact O-N 3.19Å; R99-L102 PolarHBondContact O-N 3.25Å; E100-L102 VanDerWaalsContact C-N 3.3Å; E100-L102 PolarHBondContact O-N 3.48Å; L102-V105 PolarHBondContact O-N 3.39Å; L102-F106 HydrophobicContact CD1-CD2 3.99Å; L102-F106 HydrophobicContact CD1-CE2 3.45Å; L102-F106 VanDerWaalsContact CD1-CE2 3.45Å; L102-F106 HydrophobicContact CD1-CZ 4.07Å; L102-F106 HydrophobicContact CD2-CE2 4.11Å; L102-F106 HydrophobicContact CG-CD2 3.86Å; L102-F106 HydrophobicContact CG-CE2 3.53Å; L102-F106 WeakPolarHBondContact O-CD2 3.34Å; L102-F106 PolarHBondContact O-N 3.34Å; L102-F117 HydrophobicContact CD2-CE1 4.11Å; L102-F117 HydrophobicContact CG-CE1 4.48Å
103A94.1Very high92.8Very high0 Ų033.8 Ų33.80%019%0.188CC..Hα-helixtrans-62.4-45173.600000111.8R99 E100 V105 F106 F107 F117 F380 V386R99-A103 WeakPolarHBondContact O-CB 3.36Å; R99-A103 PolarHBondContact O-N 2.96Å; E100-A103 PolarHBondContact O-N 3.1Å; A103-V105 VanDerWaalsContact C-N 3.33Å; A103-V105 PolarHBondContact O-N 3.19Å; A103-F106 PolarHBondContact O-N 3.37Å; A103-F107 HydrophobicContact CB-CD2 4.11Å; A103-F107 HydrophobicContact CB-CE2 4.19Å; A103-F107 WeakPolarHBondContact O-CB 3.4Å; A103-F107 WeakPolarHBondContact O-CD2 3.41Å; A103-F107 PolarHBondContact O-N 2.81Å; A103-F117 HydrophobicContact CB-CE2 4.34Å; A103-F117 HydrophobicContact CB-CZ 4.03Å; A103-F380 HydrophobicContact CB-CD2 4.44Å; A103-F380 HydrophobicContact CB-CE2 3.88Å; A103-F380 HydrophobicContact CB-CZ 4.13Å; A103-V386 HydrophobicContact CB-CG2 3.4Å
104D94.5Very high93Very high37 Ų3731 Ų3120%0.19817%0.174CC..Hα-helixtrans-55.6-47.8174.4174.876.9000111.4R62 E100 V101 F106 F107 N108R62-D104 IonicContact CZ-OD2 2.81Å; R62-D104 IonicContact NE-OD2 2.74Å; R62-D104 PolarHBondContact NE-OD2 3Å; R62-D104 IonicContact NH2-OD2 3.73Å; R62-D104 PolarHBondContact NH2-OD2 3.21Å; R62-D104 VanDerWaalsContact NH2-OD2 3.11Å; E100-D104 WeakPolarHBondContact O-CB 3.47Å; E100-D104 PolarHBondContact O-N 3.4Å; V101-D104 PolarHBondContact O-N 3.12Å; D104-F106 PolarHBondContact O-N 3.03Å; D104-F107 PolarHBondContact O-N 3.28Å; D104-N108 WeakPolarHBondContact O-CA 3.1Å; D104-N108 VanDerWaalsContact O-CB 3.24Å; D104-N108 WeakPolarHBondContact O-CB 3.24Å; D104-N108 PolarHBondContact O-N 3.37Å; D104-N108 PolarHBondContact OD1-ND2 2.85Å
105V96.2Very high93.3Very high0 Ų030 Ų300%017%0.167CC..Iπ-helixtrans-62.7-45178.6173.30000111.1R62 L65 L69 V101 L102 A103 H109 F110R62-V105 HydrophobicContact CG-CG2 3.8Å; L65-V105 HydrophobicContact CB-CG2 4.18Å; L69-V105 HydrophobicContact CD1-CG1 3.75Å; V101-V105 VanDerWaalsContact O-CG2 3.29Å; V101-V105 WeakPolarHBondContact O-CG2 3.43Å; V101-V105 PolarHBondContact O-N 3.46Å; L102-V105 PolarHBondContact O-N 3.39Å; A103-V105 VanDerWaalsContact C-N 3.33Å; A103-V105 PolarHBondContact O-N 3.19Å; V105-H109 VanDerWaalsContact O-CB 3.3Å; V105-H109 WeakPolarHBondContact O-CB 3.44Å; V105-H109 PolarHBondContact O-N 3.21Å; V105-F110 HydrophobicContact CG1-CD2 3.75Å; V105-F110 HydrophobicContact CG1-CE2 3.55Å; V105-F110 WeakPolarHBondContact O-CD2 3.38Å; V105-F110 PolarHBondContact O-N 3.09Å
106F96.6Very high93.5Very high0 Ų026.9 Ų26.90%015%0.146CC..Iπ-helixtrans-65.9-43.9178.5-76.6-54.6000113.3F17 L69 Y73 V86 V88 L102 A103 D104 F110 E111 A112 V115F17-F106 HydrophobicContact CD2-CE1 4.45Å; F17-F106 HydrophobicContact CD2-CZ 4.01Å; F17-F106 HydrophobicContact CE2-CE1 4Å; F17-F106 HydrophobicContact CE2-CZ 4.02Å; F17-F106 HydrophobicContact CZ-CE1 4.38Å; L69-F106 HydrophobicContact CD1-CD1 4.25Å; L69-F106 HydrophobicContact CD1-CE1 3.68Å; L69-F106 HydrophobicContact CD1-CE2 4.4Å; L69-F106 HydrophobicContact CD1-CZ 3.77Å; L69-F106 HydrophobicContact CD2-CE1 4.04Å; L69-F106 HydrophobicContact CD2-CZ 3.93Å; L69-F106 HydrophobicContact CG-CE1 4.46Å; Y73-F106 HydrophobicContact CE2-CE1 4.1Å; V86-F106 HydrophobicContact CG1-CD1 4.39Å; V86-F106 HydrophobicContact CG1-CD2 4.46Å; V86-F106 HydrophobicContact CG1-CE1 4.02Å; V86-F106 HydrophobicContact CG1-CE2 4.07Å; V86-F106 HydrophobicContact CG1-CZ 3.85Å; V86-F106 HydrophobicContact CG2-CD1 4.25Å; V86-F106 HydrophobicContact CG2-CE1 4.39Å; V88-F106 HydrophobicContact CG2-CD2 4.48Å; V88-F106 HydrophobicContact CG2-CE2 3.69Å; V88-F106 HydrophobicContact CG2-CZ 4.34Å; L102-F106 HydrophobicContact CD1-CD2 3.99Å; L102-F106 HydrophobicContact CD1-CE2 3.45Å; L102-F106 VanDerWaalsContact CD1-CE2 3.45Å; L102-F106 HydrophobicContact CD1-CZ 4.07Å; L102-F106 HydrophobicContact CD2-CE2 4.11Å; L102-F106 HydrophobicContact CG-CD2 3.86Å; L102-F106 HydrophobicContact CG-CE2 3.53Å; L102-F106 WeakPolarHBondContact O-CD2 3.34Å; L102-F106 PolarHBondContact O-N 3.34Å; A103-F106 PolarHBondContact O-N 3.37Å; D104-F106 PolarHBondContact O-N 3.03Å; F106-F110 CarbonylContact O-C 3.54Å; F106-E111 PolarHBondContact O-N 2.87Å; F106-E111 VanDerWaalsContact O-N 3.07Å; F106-A112 HydrophobicContact CB-CB 4.27Å; F106-A112 WeakPolarHBondContact O-CB 3.17Å; F106-A112 PolarHBondContact O-N 2.86Å; F106-V115 HydrophobicContact CB-CG2 3.73Å; F106-V115 HydrophobicContact CD2-CG1 4.34Å; F106-V115 HydrophobicContact CD2-CG2 4.28Å; F106-V115 HydrophobicContact CG-CG2 4.18Å
107F95.9Very high93.8Very high0 Ų025 Ų250%013%0.131CC..Iπ-helixtrans-85.9-40.6-174-69.3-57.6000114.3A103 D104 E111 A112 V115 L375 R377 F380A103-F107 HydrophobicContact CB-CD2 4.11Å; A103-F107 HydrophobicContact CB-CE2 4.19Å; A103-F107 WeakPolarHBondContact O-CB 3.4Å; A103-F107 WeakPolarHBondContact O-CD2 3.41Å; A103-F107 PolarHBondContact O-N 2.81Å; D104-F107 PolarHBondContact O-N 3.28Å; F107-E111 WeakPolarHBondContact O-CA 3.45Å; F107-A112 WeakPolarHBondContact CD1-O 2.97Å; F107-V115 HydrophobicContact CD1-CG2 4.37Å; F107-V115 HydrophobicContact CE1-CB 4.35Å; F107-V115 HydrophobicContact CE1-CG2 3.74Å; F107-V115 HydrophobicContact CE2-CB 4.13Å; F107-V115 HydrophobicContact CE2-CG2 3.91Å; F107-V115 HydrophobicContact CZ-CB 3.68Å; F107-V115 HydrophobicContact CZ-CG2 3.47Å; F107-V115 VanDerWaalsContact CZ-CG2 3.47Å; F107-L375 HydrophobicContact CE2-CD2 3.95Å; F107-L375 HydrophobicContact CE2-CG 4.26Å; F107-L375 HydrophobicContact CZ-CB 4.3Å; F107-L375 HydrophobicContact CZ-CD2 4.31Å; F107-L375 HydrophobicContact CZ-CG 4.12Å; F107-L375 VanDerWaalsContact CZ-O 3.32Å; F107-L375 WeakPolarHBondContact CZ-O 3.36Å; F107-R377 HydrophobicContact CB-CG 4.37Å; F107-R377 HydrophobicContact CD1-CB 3.66Å; F107-R377 HydrophobicContact CD1-CG 3.89Å; F107-R377 HydrophobicContact CE1-CB 4Å; F107-R377 PolarHBondContact O-NE 3.12Å; F107-R377 VanDerWaalsContact O-NE 3.11Å; F107-F380 HydrophobicContact CB-CD1 3.67Å; F107-F380 HydrophobicContact CB-CE1 4.07Å; F107-F380 HydrophobicContact CB-CG 4.47Å; F107-F380 HydrophobicContact CD2-CB 3.75Å; F107-F380 AromaticContact CD2-CD1 3.43Å; F107-F380 HydrophobicContact CD2-CD1 3.43Å; F107-F380 VanDerWaalsContact CD2-CD1 3.43Å; F107-F380 AromaticContact CD2-CD2 4Å; F107-F380 HydrophobicContact CD2-CD2 4Å; F107-F380 AromaticContact CD2-CE1 3.97Å; F107-F380 HydrophobicContact CD2-CE1 3.97Å; F107-F380 HydrophobicContact CD2-CE2 4.48Å; F107-F380 AromaticContact CD2-CG 3.42Å; F107-F380 HydrophobicContact CD2-CG 3.42Å; F107-F380 VanDerWaalsContact CD2-CG 3.42Å; F107-F380 HydrophobicContact CD2-CZ 4.46Å; F107-F380 HydrophobicContact CE2-CB 3.86Å; F107-F380 HydrophobicContact CE2-CD1 4.31Å; F107-F380 HydrophobicContact CE2-CD2 4.19Å; F107-F380 AromaticContact CE2-CG 3.85Å; F107-F380 HydrophobicContact CE2-CG 3.85Å; F107-F380 HydrophobicContact CG-CB 4.24Å; F107-F380 AromaticContact CG-CD1 3.81Å; F107-F380 HydrophobicContact CG-CD1 3.81Å; F107-F380 HydrophobicContact CG-CE1 4.46Å; F107-F380 HydrophobicContact CG-CG 4.12Å; F107-F380 HydrophobicContact CZ-CB 4.4Å
108N94.9Very high93.9Very high68 Ų6823 Ų2336%0.36412%0.117SC..Iπ-helixtrans-90.8-37.6-175.5-70.7-37.3000112.8D104 L381D104-N108 WeakPolarHBondContact O-CA 3.1Å; D104-N108 VanDerWaalsContact O-CB 3.24Å; D104-N108 WeakPolarHBondContact O-CB 3.24Å; D104-N108 PolarHBondContact O-N 3.37Å; D104-N108 PolarHBondContact OD1-ND2 2.85Å; N108-L381 WeakPolarHBondContact OD1-CD2 3.44Å
109H94.8Very high93.9Very high83 Ų8321.8 Ų21.838%0.38411%0.112SC..Iπ-helixtrans-90.6-49.7179.2-173.784.3000112.3T66 V105T66-H109 WeakPolarHBondContact CG2-NE2 3.18Å; V105-H109 VanDerWaalsContact O-CB 3.3Å; V105-H109 WeakPolarHBondContact O-CB 3.44Å; V105-H109 PolarHBondContact O-N 3.21Å
110F96.1Very high94Very high5 Ų521.9 Ų21.92%0.02211%0.113CC..SBendtrans-91.9-6.9-176.6-69.4-64.1000114.5L69 Y73 Y74 P81 K82 V105 F106 A112L69-F110 HydrophobicContact CB-CD2 4.45Å; L69-F110 HydrophobicContact CB-CE2 3.5Å; L69-F110 HydrophobicContact CB-CZ 3.77Å; L69-F110 HydrophobicContact CD1-CD2 4.47Å; L69-F110 HydrophobicContact CD1-CE2 4.04Å; L69-F110 HydrophobicContact CG-CE2 4.44Å; Y73-F110 HydrophobicContact CD2-CD1 4.33Å; Y73-F110 HydrophobicContact CD2-CE1 4.19Å; Y73-F110 HydrophobicContact CD2-CZ 4.4Å; Y73-F110 HydrophobicContact CE2-CG 4.48Å; Y74-F110 HydrophobicContact CE2-CE1 4.42Å; P81-F110 HydrophobicContact CB-CB 3.91Å; P81-F110 HydrophobicContact CB-CD1 4.21Å; P81-F110 HydrophobicContact CB-CG 4.32Å; P81-F110 HydrophobicContact CG-CB 3.97Å; P81-F110 HydrophobicContact CG-CD1 3.56Å; P81-F110 HydrophobicContact CG-CE1 4.45Å; P81-F110 HydrophobicContact CG-CG 4.12Å; K82-F110 WeakPolarHBondContact CG-O 3.5Å; V105-F110 HydrophobicContact CG1-CD2 3.75Å; V105-F110 HydrophobicContact CG1-CE2 3.55Å; V105-F110 WeakPolarHBondContact O-CD2 3.38Å; V105-F110 PolarHBondContact O-N 3.09Å; F106-F110 CarbonylContact O-C 3.54Å; F110-A112 PolarHBondContact O-N 3.23Å
111E95.5Very high94.1Very high76 Ų7618.5 Ų18.536%0.35510%0.097SC..  trans5038.3-179.1-60.8169.1-138.100113.3K82 F106 F107K82-E111 HydrophobicContact CD-CB 4.2Å; K82-E111 VanDerWaalsContact CE-CD 3.42Å; K82-E111 WeakPolarHBondContact CE-OE1 3.38Å; K82-E111 VanDerWaalsContact CE-OE2 3.29Å; K82-E111 WeakPolarHBondContact CE-OE2 3.31Å; K82-E111 HydrophobicContact CG-CB 4.09Å; K82-E111 IonicContact NZ-OE1 2.8Å; K82-E111 PolarHBondContact NZ-OE1 3.48Å; K82-E111 IonicContact NZ-OE2 2.82Å; K82-E111 PolarHBondContact NZ-OE2 2.98Å; F106-E111 PolarHBondContact O-N 2.87Å; F106-E111 VanDerWaalsContact O-N 3.07Å; F107-E111 WeakPolarHBondContact O-CA 3.45Å
112A94.7Very high94Very high0 Ų019.6 Ų19.60%010%0.103CC..  trans-59.9137.317700000110.2V86 F106 F107 F110 S114 V115V86-A112 HydrophobicContact CG2-CB 3.98Å; F106-A112 HydrophobicContact CB-CB 4.27Å; F106-A112 WeakPolarHBondContact O-CB 3.17Å; F106-A112 PolarHBondContact O-N 2.86Å; F107-A112 WeakPolarHBondContact CD1-O 2.97Å; F110-A112 PolarHBondContact O-N 3.23Å; A112-S114 PolarHBondContact O-N 2.76Å; A112-V115 HydrophobicContact CB-CG2 4.43Å
113P93.3Very high94Very high55 Ų5519.8 Ų19.836%0.35710%0.104SC..SBendtrans-66.9-39-17624.1-33.5000112.8R84 R85 R377R84-P113 VanDerWaalsContact O-CD 3.24Å; R84-P113 WeakPolarHBondContact O-CD 3.33Å; R85-P113 HydrophobicContact CG-CG 4.22Å; P113-R377 PolarHBondContact O-N 3.47Å
114S92.9Very high94Very high7 Ų719.8 Ų19.85%0.04910%0.104CC..EExtended strand (participates in β ladder)trans-155.5149176.372.20000111.7R85 V86 A112 S374 L375R85-S114 WeakPolarHBondContact CG-OG 3.37Å; V86-S114 PolarHBondContact N-O 2.89Å; A112-S114 PolarHBondContact O-N 2.76Å; S114-S374 VanDerWaalsContact CB-OG 3.25Å; S114-S374 WeakPolarHBondContact CB-OG 3.45Å; S114-S374 PolarHBondContact OG-OG 2.96Å; S114-S374 VanDerWaalsContact OG-OG 3.13Å; S114-L375 CarbonylContact C-O 3.49Å; S114-L375 WeakPolarHBondContact CA-O 3.39Å; S114-L375 WeakPolarHBondContact CB-O 3.33Å
115V94Very high94.1Very high1 Ų118.2 Ų18.21%0.00610%0.095CC..EExtended strand (participates in β ladder)trans-126.3129.2176-175.40000109.4V86 V88 F106 F107 A112 F117 L375V86-V115 HydrophobicContact CB-CG1 4.4Å; V86-V115 HydrophobicContact CB-CG2 4.16Å; V86-V115 HydrophobicContact CG1-CG1 4.37Å; V86-V115 CarbonylContact O-C 3.52Å; V86-V115 WeakPolarHBondContact O-CA 3.26Å; V88-V115 HydrophobicContact CG2-CG1 4.02Å; F106-V115 HydrophobicContact CB-CG2 3.73Å; F106-V115 HydrophobicContact CD2-CG1 4.34Å; F106-V115 HydrophobicContact CD2-CG2 4.28Å; F106-V115 HydrophobicContact CG-CG2 4.18Å; F107-V115 HydrophobicContact CD1-CG2 4.37Å; F107-V115 HydrophobicContact CE1-CB 4.35Å; F107-V115 HydrophobicContact CE1-CG2 3.74Å; F107-V115 HydrophobicContact CE2-CB 4.13Å; F107-V115 HydrophobicContact CE2-CG2 3.91Å; F107-V115 HydrophobicContact CZ-CB 3.68Å; F107-V115 HydrophobicContact CZ-CG2 3.47Å; F107-V115 VanDerWaalsContact CZ-CG2 3.47Å; A112-V115 HydrophobicContact CB-CG2 4.43Å; V115-F117 HydrophobicContact CB-CE2 4.39Å; V115-F117 HydrophobicContact CG1-CD2 4.32Å; V115-F117 HydrophobicContact CG1-CE1 4.18Å; V115-F117 HydrophobicContact CG1-CE2 3.76Å; V115-F117 HydrophobicContact CG1-CZ 3.67Å; V115-L375 PolarHBondContact N-O 2.83Å; V115-L375 PolarHBondContact O-N 2.96Å
116L92.7Very high93.9Very high11 Ų1121.8 Ų21.86%0.05811%0.111CC..EExtended strand (participates in β ladder)trans-104.8128.2168173.469.8000109V86 V87 V88 A118 F364 L370 R373V86-L116 PolarHBondContact O-N 2.79Å; V87-L116 CarbonylContact C-O 3.24Å; V87-L116 HydrophobicContact CG1-CD2 4.25Å; V87-L116 HydrophobicContact CG2-CB 4.47Å; V87-L116 HydrophobicContact CG2-CD2 4.45Å; V88-L116 PolarHBondContact N-O 3.17Å; L116-A118 HydrophobicContact CD2-CB 4.37Å; L116-A118 HydrophobicContact CG-CB 4.44Å; L116-F364 HydrophobicContact CD2-CD1 3.46Å; L116-F364 VanDerWaalsContact CD2-CD1 3.46Å; L116-F364 HydrophobicContact CD2-CE1 3.37Å; L116-L370 HydrophobicContact CB-CD1 4.09Å; L116-L370 HydrophobicContact CD2-CD1 3.63Å; L116-L370 HydrophobicContact CG-CD1 4.48Å; L116-R373 HydrophobicContact CD1-CB 4.29Å; L116-R373 WeakPolarHBondContact CD1-O 3.46Å
117F92.9Very high93.8Very high20 Ų2022.6 Ų22.69%0.08812%0.116CC..EExtended strand (participates in β ladder)trans-94121.7164.6-60.9-82.5000107.5V88 R99 L102 A103 V115 V386 W389V88-F117 HydrophobicContact CB-CD1 3.83Å; V88-F117 HydrophobicContact CB-CE1 4.1Å; V88-F117 HydrophobicContact CG1-CD1 4.05Å; V88-F117 HydrophobicContact CG1-CE1 4.27Å; V88-F117 HydrophobicContact CG2-CD1 4.34Å; V88-F117 HydrophobicContact CG2-CE1 4.12Å; V88-F117 CarbonylContact O-C 3.58Å; V88-F117 WeakPolarHBondContact O-CA 3.42Å; R99-F117 HydrophobicContact CG-CD1 3.64Å; R99-F117 HydrophobicContact CG-CD2 4.13Å; R99-F117 HydrophobicContact CG-CE1 3.57Å; R99-F117 HydrophobicContact CG-CE2 4.07Å; R99-F117 HydrophobicContact CG-CG 3.94Å; R99-F117 HydrophobicContact CG-CZ 3.79Å; L102-F117 HydrophobicContact CD2-CE1 4.11Å; L102-F117 HydrophobicContact CG-CE1 4.48Å; A103-F117 HydrophobicContact CB-CE2 4.34Å; A103-F117 HydrophobicContact CB-CZ 4.03Å; V115-F117 HydrophobicContact CB-CE2 4.39Å; V115-F117 HydrophobicContact CG1-CD2 4.32Å; V115-F117 HydrophobicContact CG1-CE1 4.18Å; V115-F117 HydrophobicContact CG1-CE2 3.76Å; V115-F117 HydrophobicContact CG1-CZ 3.67Å; F117-V386 HydrophobicContact CD2-CG1 3.81Å; F117-V386 HydrophobicContact CE2-CG1 3.65Å; F117-W389 HydrophobicContact CB-CZ2 4.31Å; F117-W389 WeakPolarHBondContact O-CH2 3.5Å; F117-W389 WeakPolarHBondContact O-CZ2 3.35Å
118A90.9Very high93.7Very high3 Ų324.7 Ų24.73%0.02513%0.127CC..EExtended strand (participates in β ladder)trans-119.9129.6-171.500000109.1V87 V88 V89 E90 L116 M123 W389V87-A118 HydrophobicContact CG1-CB 4.19Å; V88-A118 PolarHBondContact O-N 2.72Å; V89-A118 CarbonylContact C-O 3.6Å; V89-A118 VanDerWaalsContact CA-O 3.3Å; V89-A118 WeakPolarHBondContact CA-O 3.22Å; E90-A118 PolarHBondContact N-O 3.35Å; L116-A118 HydrophobicContact CD2-CB 4.37Å; L116-A118 HydrophobicContact CG-CB 4.44Å; A118-M123 HydrophobicContact CB-CE 4.27Å; A118-M123 HydrophobicContact CB-CG 3.67Å; A118-M123 HydrophobicContact CB-SD 3.81Å; A118-W389 VanDerWaalsContact CA-CH2 3.43Å
119T91.5Very high93.6Very high2 Ų224.9 Ų24.91%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-75.6132.3178.548.50000110.5E90 V92 H121 L122 M123 W389E90-T119 CarbonylContact O-C 3.43Å; E90-T119 WeakPolarHBondContact O-CA 3.49Å; V92-T119 HydrophobicContact CG2-CG2 3.8Å; T119-H121 PolarHBondContact O-N 2.98Å; T119-L122 PolarHBondContact O-N 3.26Å; T119-L122 WeakPolarHBondContact OG1-CB 3.32Å; T119-M123 WeakPolarHBondContact O-CB 3.37Å; T119-M123 VanDerWaalsContact O-CG 3.24Å; T119-M123 WeakPolarHBondContact O-CG 3.43Å; T119-M123 PolarHBondContact O-N 2.9Å; T119-W389 HydrophobicContact CG2-CD2 3.62Å; T119-W389 VanDerWaalsContact CG2-CE2 3.43Å; T119-W389 HydrophobicContact CG2-CE3 3.7Å; T119-W389 HydrophobicContact CG2-CG 4.48Å; T119-W389 HydrophobicContact CG2-CH2 3.5Å; T119-W389 HydrophobicContact CG2-CZ2 3.38Å; T119-W389 HydrophobicContact CG2-CZ3 3.65Å
120S93.1Very high93.6Very high7 Ų723 Ų235%0.04914%0.137CC..Hα-helixtrans-52.5-41.4178.162.40000112.4E90 M123 A124 D137E90-S120 PolarHBondContact O-N 3.25Å; S120-M123 PolarHBondContact O-N 3.42Å; S120-A124 WeakPolarHBondContact O-CB 3.35Å; S120-A124 PolarHBondContact O-N 3.14Å; S120-D137 PolarHBondContact OG-OD2 3.49Å
121H93.5Very high93.4Very high1 Ų125 Ų251%0.00515%0.151CC..Hα-helixtrans-67.8-42.4-176.4-59.469.9000111.9T119 V135 D137 Q144 L146T119-H121 PolarHBondContact O-N 2.98Å; H121-V135 HydrophobicContact CB-CB 4.2Å; H121-V135 HydrophobicContact CB-CG1 4.32Å; H121-D137 IonicContact CE1-OD2 3.72Å; H121-Q144 PolarHBondContact CE1-OE1 3.4Å; H121-L146 HydrophobicContact CB-CB 4.07Å; H121-L146 HydrophobicContact CB-CD2 3.7Å; H121-L146 HydrophobicContact CB-CG 4.46Å; H121-L146 WeakPolarHBondContact CD2-CB 3.47Å
122L92.5Very high93.4Very high34 Ų3421.4 Ų21.418%0.17814%0.135CC..Hα-helixtrans-72-42.6175.6-177.760.6000110.9T119 A124 L125 F126 V148 G151 T153T119-L122 PolarHBondContact O-N 3.26Å; T119-L122 WeakPolarHBondContact OG1-CB 3.32Å; L122-A124 VanDerWaalsContact C-N 3.29Å; L122-A124 PolarHBondContact O-N 2.82Å; L122-L125 PolarHBondContact O-N 2.87Å; L122-F126 HydrophobicContact CG-CE2 4.19Å; L122-F126 WeakPolarHBondContact O-CD2 3.35Å; L122-V148 HydrophobicContact CD1-CG1 3.76Å; L122-G151 WeakPolarHBondContact CD1-O 3.32Å; L122-T153 HydrophobicContact CB-CG2 4.3Å
123M93.7Very high93.5Very high5 Ų521.4 Ų21.43%0.02514%0.135CC..Hα-helixtrans-59.5-41180-71.3-53.398.900111.7V89 A118 T119 S120 L125 F126 G360 F364V89-M123 HydrophobicContact CG2-CG 4.48Å; A118-M123 HydrophobicContact CB-CE 4.27Å; A118-M123 HydrophobicContact CB-CG 3.67Å; A118-M123 HydrophobicContact CB-SD 3.81Å; T119-M123 WeakPolarHBondContact O-CB 3.37Å; T119-M123 VanDerWaalsContact O-CG 3.24Å; T119-M123 WeakPolarHBondContact O-CG 3.43Å; T119-M123 PolarHBondContact O-N 2.9Å; S120-M123 PolarHBondContact O-N 3.42Å; M123-L125 PolarHBondContact O-N 3.44Å; M123-L125 VanDerWaalsContact O-N 3.09Å; M123-F126 HydrophobicContact CE-CD2 3.93Å; M123-F126 HydrophobicContact CE-CE2 3.6Å; M123-F126 WeakPolarHBondContact O-CB 3.27Å; M123-F126 PolarHBondContact O-N 3.46Å; M123-F126 HydrophobicContact SD-CD2 4.36Å; M123-G360 WeakPolarHBondContact O-CA 3.25Å; M123-F364 HydrophobicContact CE-CD2 4.15Å; M123-F364 HydrophobicContact CE-CG 4.24Å; M123-F364 HydrophobicContact SD-CB 3.66Å; M123-F364 HydrophobicContact SD-CD2 4.35Å; M123-F364 HydrophobicContact SD-CG 3.94Å
124A94.6Very high93.7Very high0 Ų018.9 Ų18.90%012%0.118CC..Hα-helixtrans-53.1-34.4178.200000113.5S120 L122 F126 T127 V135 I308 I356S120-A124 WeakPolarHBondContact O-CB 3.35Å; S120-A124 PolarHBondContact O-N 3.14Å; L122-A124 VanDerWaalsContact C-N 3.29Å; L122-A124 PolarHBondContact O-N 2.82Å; A124-F126 PolarHBondContact O-N 3.07Å; A124-T127 WeakPolarHBondContact O-CB 3.41Å; A124-T127 PolarHBondContact O-N 2.61Å; A124-T127 PolarHBondContact O-OG1 3.27Å; A124-V135 HydrophobicContact CB-CG1 4.4Å; A124-I308 HydrophobicContact CB-CD1 4.21Å; A124-I308 HydrophobicContact CB-CG2 3.74Å; A124-I356 HydrophobicContact CB-CG2 3.82Å
125L95.1Very high93.9Very high4 Ų418.5 Ų18.52%0.02112%0.116CC..Hα-helixtrans-72.7-27.7-178-56.9-171.2000113.7L122 M123 T127 L128 G129 I130 A133 V135 V148 V306L122-L125 PolarHBondContact O-N 2.87Å; M123-L125 PolarHBondContact O-N 3.44Å; M123-L125 VanDerWaalsContact O-N 3.09Å; L125-T127 PolarHBondContact O-N 2.94Å; L125-L128 PolarHBondContact O-N 2.78Å; L125-G129 PolarHBondContact O-N 2.82Å; L125-I130 HydrophobicContact CB-CG1 4.3Å; L125-I130 WeakPolarHBondContact CB-O 3.34Å; L125-I130 HydrophobicContact CD2-CD1 4.07Å; L125-I130 HydrophobicContact CD2-CG1 4.07Å; L125-I130 PolarHBondContact O-N 3.42Å; L125-A133 HydrophobicContact CD1-CB 4.24Å; L125-A133 HydrophobicContact CD2-CB 3.51Å; L125-V135 HydrophobicContact CD2-CG2 3.73Å; L125-V135 HydrophobicContact CG-CG2 4.26Å; L125-V148 HydrophobicContact CD1-CB 3.55Å; L125-V148 HydrophobicContact CD1-CG1 3.64Å; L125-V148 HydrophobicContact CD1-CG2 3.96Å; L125-V306 HydrophobicContact CD2-CG2 3.87Å
126F93Very high94.1Very high76 Ų7618.5 Ų18.533%0.33312%0.116SC..Hα-helixtrans-61.2-28.8174.3-76-87.7000111.9L122 M123 A124 L128 G129 I363 F364 L367L122-F126 HydrophobicContact CG-CE2 4.19Å; L122-F126 WeakPolarHBondContact O-CD2 3.35Å; M123-F126 HydrophobicContact CE-CD2 3.93Å; M123-F126 HydrophobicContact CE-CE2 3.6Å; M123-F126 WeakPolarHBondContact O-CB 3.27Å; M123-F126 PolarHBondContact O-N 3.46Å; M123-F126 HydrophobicContact SD-CD2 4.36Å; A124-F126 PolarHBondContact O-N 3.07Å; F126-L128 VanDerWaalsContact C-N 3.26Å; F126-L128 PolarHBondContact O-N 3.14Å; F126-G129 PolarHBondContact O-N 3.25Å; F126-I363 HydrophobicContact CB-CG2 4.43Å; F126-F364 HydrophobicContact CD1-CD2 4.34Å; F126-F364 HydrophobicContact CD2-CD2 4.41Å; F126-F364 AromaticContact CE1-CD2 3.8Å; F126-F364 HydrophobicContact CE1-CD2 3.8Å; F126-F364 HydrophobicContact CE1-CE2 4.15Å; F126-F364 AromaticContact CE2-CD2 3.87Å; F126-F364 HydrophobicContact CE2-CD2 3.87Å; F126-F364 HydrophobicContact CE2-CE2 4.23Å; F126-F364 AromaticContact CZ-CD2 3.53Å; F126-F364 HydrophobicContact CZ-CD2 3.53Å; F126-F364 AromaticContact CZ-CE2 3.66Å; F126-F364 HydrophobicContact CZ-CE2 3.66Å; F126-L367 HydrophobicContact CE1-CD1 4.48Å
127T94.2Very high94.3Very high16 Ų1619.3 Ų19.310%0.09812%0.12CC..THydrogen-bonded Turntrans-68.5-27.4177.174.40000112.8A124 L125 P350 I356 L359 I363A124-T127 WeakPolarHBondContact O-CB 3.41Å; A124-T127 PolarHBondContact O-N 2.61Å; A124-T127 PolarHBondContact O-OG1 3.27Å; L125-T127 PolarHBondContact O-N 2.94Å; T127-P350 WeakPolarHBondContact O-CD 3.26Å; T127-P350 WeakPolarHBondContact O-CG 3.45Å; T127-I356 HydrophobicContact CG2-CG2 4.11Å; T127-L359 HydrophobicContact CG2-CB 4.04Å; T127-L359 HydrophobicContact CG2-CD2 4Å; T127-L359 HydrophobicContact CG2-CG 3.84Å; T127-I363 HydrophobicContact CG2-CD1 4.15Å
128L94.1Very high94.4Very high45 Ų4518.3 Ų18.324%0.23612%0.116CC..THydrogen-bonded Turntrans-99.2-13.5-179.1-73.1168.4000112.8L125 F126 I130 V306 H347 P349L125-L128 PolarHBondContact O-N 2.78Å; F126-L128 VanDerWaalsContact C-N 3.26Å; F126-L128 PolarHBondContact O-N 3.14Å; L128-I130 HydrophobicContact CB-CD1 4.09Å; L128-I130 HydrophobicContact CB-CG1 3.88Å; L128-I130 HydrophobicContact CB-CG2 4.32Å; L128-I130 HydrophobicContact CD1-CD1 3.85Å; L128-I130 HydrophobicContact CD1-CG1 4.47Å; L128-I130 PolarHBondContact O-N 3.17Å; L128-V306 HydrophobicContact CD1-CB 4.49Å; L128-V306 HydrophobicContact CD1-CG1 4.03Å; L128-V306 HydrophobicContact CD1-CG2 3.59Å; L128-H347 HydrophobicContact CD1-CB 3.66Å; L128-H347 HydrophobicContact CD2-CB 4.15Å; L128-P349 HydrophobicContact CD2-CB 4.25Å; L128-P349 HydrophobicContact CG-CB 4.25Å
129G92.7Very high94.5Very high71 Ų7119.2 Ų19.273%0.73213%0.125SC*.THydrogen-bonded Turntrans67.521.9-174.600000113.9L125 F126L125-G129 PolarHBondContact O-N 2.82Å; F126-G129 PolarHBondContact O-N 3.25Å
130I94.4Very high94.6Very high43 Ų4321.7 Ų21.722%0.22113%0.134CC..  trans-102.6145.3179.163.8-179.4000110.8L125 L128 A133 V306L125-I130 HydrophobicContact CB-CG1 4.3Å; L125-I130 WeakPolarHBondContact CB-O 3.34Å; L125-I130 HydrophobicContact CD2-CD1 4.07Å; L125-I130 HydrophobicContact CD2-CG1 4.07Å; L125-I130 PolarHBondContact O-N 3.42Å; L128-I130 HydrophobicContact CB-CD1 4.09Å; L128-I130 HydrophobicContact CB-CG1 3.88Å; L128-I130 HydrophobicContact CB-CG2 4.32Å; L128-I130 HydrophobicContact CD1-CD1 3.85Å; L128-I130 HydrophobicContact CD1-CG1 4.47Å; L128-I130 PolarHBondContact O-N 3.17Å; I130-A133 HydrophobicContact CD1-CB 3.8Å; I130-V306 HydrophobicContact CD1-CG2 4.08Å
131S92.9Very high94.6Very high47 Ų4725.2 Ų25.233%0.32915%0.151SC..SBendtrans-93.8-18.2-179.472.80000113.7E150 G151S131-E150 WeakPolarHBondContact CB-OE2 3.34Å; S131-E150 WeakPolarHBondContact O-CA 3.28Å; S131-E150 PolarHBondContact O-N 3.27Å; S131-E150 PolarHBondContact OG-OE2 3.44Å; S131-G151 PolarHBondContact O-N 3.12Å
132S95.4Very high94.6Very high2 Ų227.1 Ų27.11%0.01416%0.161CC..  trans-140.3120.2-170.6-48.30000111.5V148 E150 K300 N304S132-V148 CarbonylContact C-O 3.54Å; S132-V148 WeakPolarHBondContact CA-O 3.1Å; S132-E150 PolarHBondContact OG-N 3.38Å; S132-E150 VanDerWaalsContact OG-N 3.09Å; S132-K300 PolarHBondContact OG-NZ 2.94Å; S132-N304 WeakPolarHBondContact O-CB 3.3Å; S132-N304 PolarHBondContact O-ND2 2.87Å
133A97Very high94.7Very high0 Ų025.5 Ų25.50%015%0.153CC..EExtended strand (participates in β ladder)trans-161.8160.9178.900000110.5L125 I130 V148 N304 V306L125-A133 HydrophobicContact CD1-CB 4.24Å; L125-A133 HydrophobicContact CD2-CB 3.51Å; I130-A133 HydrophobicContact CD1-CB 3.8Å; A133-V148 PolarHBondContact N-O 2.9Å; A133-V148 PolarHBondContact O-N 2.85Å; A133-V148 VanDerWaalsContact O-O 3.12Å; A133-N304 CarbonylContact C-O 3.52Å; A133-N304 WeakPolarHBondContact CA-O 3.34Å; A133-N304 HydrophobicContact CB-CB 3.94Å; A133-N304 VanDerWaalsContact CB-O 3.24Å; A133-N304 WeakPolarHBondContact CB-O 3.25Å; A133-V306 HydrophobicContact CB-CG2 3.86Å
134V97.4Very high94.8Very high1 Ų125.7 Ų25.71%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-96.9125.9161.865.90000109V145 P147 I286 N304 I305 V306V134-V145 HydrophobicContact CG2-CG1 3.33Å; V134-P147 HydrophobicContact CG2-CB 4.43Å; V134-I286 HydrophobicContact CG1-CG2 4.43Å; V134-N304 PolarHBondContact N-O 3.46Å; V134-I305 HydrophobicContact CG1-CB 4.11Å; V134-I305 HydrophobicContact CG1-CG1 3.55Å; V134-I305 HydrophobicContact CG1-CG2 4.19Å; V134-I305 WeakPolarHBondContact O-CA 3.49Å; V134-V306 PolarHBondContact O-N 2.75Å
135V97.1Very high95Very high0 Ų025.8 Ų25.80%015%0.154CC..EExtended strand (participates in β ladder)trans-108.3120.1-176.4-172.30000108.6H121 A124 L125 V145 L146 V306 I308H121-V135 HydrophobicContact CB-CB 4.2Å; H121-V135 HydrophobicContact CB-CG1 4.32Å; A124-V135 HydrophobicContact CB-CG1 4.4Å; L125-V135 HydrophobicContact CD2-CG2 3.73Å; L125-V135 HydrophobicContact CG-CG2 4.26Å; V135-V145 WeakPolarHBondContact O-CA 3.37Å; V135-L146 PolarHBondContact N-O 3.4Å; V135-L146 PolarHBondContact O-N 3.43Å; V135-V306 WeakPolarHBondContact CA-O 3.34Å; V135-V306 HydrophobicContact CG2-CB 4.28Å; V135-I308 HydrophobicContact CG1-CD1 3.66Å; V135-I308 HydrophobicContact CG1-CG1 3.88Å; V135-I308 HydrophobicContact CG1-CG2 4.23Å
136L97.4Very high95Very high1 Ų125.7 Ų25.71%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-97111.5169.3168.362.3000108.4A143 Q144 V145 L282 I286 V306 L307 I308 F317 L321L136-A143 HydrophobicContact CD1-CB 4.23Å; L136-Q144 CarbonylContact C-O 3.4Å; L136-Q144 WeakPolarHBondContact CA-O 3.16Å; L136-V145 HydrophobicContact CB-CG2 4.32Å; L136-V145 HydrophobicContact CD1-CG2 3.62Å; L136-L282 HydrophobicContact CD1-CD2 4.38Å; L136-L282 HydrophobicContact CD2-CB 4.47Å; L136-I286 HydrophobicContact CB-CD1 4.39Å; L136-I286 HydrophobicContact CD2-CD1 3.95Å; L136-V306 PolarHBondContact N-O 2.97Å; L136-L307 HydrophobicContact CB-CD2 3.87Å; L136-L307 HydrophobicContact CD2-CD2 3.85Å; L136-L307 HydrophobicContact CG-CD2 4.24Å; L136-I308 PolarHBondContact O-N 2.78Å; L136-I308 VanDerWaalsContact O-O 3.12Å; L136-F317 HydrophobicContact CD2-CZ 4.5Å; L136-L321 HydrophobicContact CD2-CD2 4.15Å
137D96.4Very high95.2Very high27 Ų2722 Ų2214%0.14414%0.138CC..EExtended strand (participates in β ladder)trans-97.8104.3171.7-167.2-12.4000109.7S120 H121 A143 Q144 I308S120-D137 PolarHBondContact OG-OD2 3.49Å; H121-D137 IonicContact CE1-OD2 3.72Å; D137-A143 CarbonylContact O-C 3.56Å; D137-A143 VanDerWaalsContact O-CA 3.25Å; D137-A143 WeakPolarHBondContact O-CA 3.49Å; D137-Q144 PolarHBondContact N-O 3.33Å; D137-Q144 PolarHBondContact O-N 2.84Å; D137-I308 VanDerWaalsContact CA-CG1 3.48Å; D137-I308 WeakPolarHBondContact CA-O 3.36Å; D137-I308 HydrophobicContact CB-CD1 3.77Å; D137-I308 HydrophobicContact CB-CG1 3.54Å
138C95.8Very high95.3Very high0 Ų021.3 Ų21.30%013%0.133CC..EExtended strand (participates in β ladder)trans-106.789.3177.6-167.80000110.2A143 L163 I308 G309 T311 T312C138-A143 HydrophobicContact CB-CB 4.35Å; C138-L163 PolarHBondContact SG-O 3.44Å; C138-I308 PolarHBondContact N-O 3.3Å; C138-G309 CarbonylContact O-C 3.53Å; C138-G309 WeakPolarHBondContact O-CA 3.45Å; C138-T311 WeakPolarHBondContact O-CB 3.37Å; C138-T311 PolarHBondContact O-N 3.28Å; C138-T311 PolarHBondContact O-OG1 2.97Å; C138-T311 WeakPolarHBondContact SG-CB 3.43Å; C138-T312 HydrophobicContact CB-CG2 3.68Å
139G93.4Very high95.3Very high21 Ų2123 Ų2322%0.21614%0.137CC..  trans-85.7-155.2-178.400000113.7D142 G164 S165 T311G139-D142 PolarHBondContact N-O 3.08Å; G139-D142 VanDerWaalsContact N-O 3.08Å; G139-G164 WeakPolarHBondContact O-CA 3.43Å; G139-S165 PolarHBondContact O-N 3.09Å; G139-S165 VanDerWaalsContact O-N 3.08Å; G139-T311 PolarHBondContact O-OG1 3.5Å
140Y93.6Very high95.3Very high54 Ų5423.9 Ų23.921%0.21212%0.122CC..SBendtrans-79.9-47.7175.8-178.8-101.5000112.4V22 G164 S165 K166 H169V22-Y140 HydrophobicContact CB-CG 4.48Å; V22-Y140 HydrophobicContact CG2-CD1 3.36Å; V22-Y140 HydrophobicContact CG2-CD2 3.61Å; V22-Y140 HydrophobicContact CG2-CE1 3.62Å; V22-Y140 HydrophobicContact CG2-CE2 3.88Å; V22-Y140 HydrophobicContact CG2-CG 3.34Å; Y140-G164 CarbonylContact O-C 3.51Å; Y140-G164 WeakPolarHBondContact O-CA 3.46Å; Y140-S165 PolarHBondContact O-N 3.06Å; Y140-S165 VanDerWaalsContact O-N 3.15Å; Y140-K166 HydrophobicContact CD1-CB 4.28Å; Y140-K166 HydrophobicContact CE1-CB 3.95Å; Y140-K166 HydrophobicContact CE1-CG 4.31Å; Y140-K166 HydrophobicContact CE2-CB 4.4Å; Y140-K166 VanDerWaalsContact O-CB 3.24Å; Y140-K166 WeakPolarHBondContact O-CB 3.13Å; Y140-K166 PolarHBondContact O-N 2.8Å; Y140-H169 AromaticContact CE2-CE1 3.71Å; Y140-H169 AromaticContact CE2-ND1 3.8Å
141M92.1Very high95.1Very high81 Ų8123.5 Ų23.540%0.39913%0.129SC..SBendtrans-81.1-47.4-173.2-69.9-62.6-65.600112.6S21 K166S21-M141 VanDerWaalsContact OG-CG 3.28Å; S21-M141 WeakPolarHBondContact OG-CG 3.5Å; M141-K166 HydrophobicContact CE-CD 4.37Å; M141-K166 HydrophobicContact SD-CD 4.07Å
142D93.5Very high94.9Very high41 Ų4129.8 Ų29.822%0.21915%0.147CC..  trans-145.9169.3-171.362.7-22.1000111.5G139 Q144 S160 A161G139-D142 PolarHBondContact N-O 3.08Å; G139-D142 VanDerWaalsContact N-O 3.08Å; D142-Q144 PolarHBondContact OD2-NE2 3.14Å; D142-S160 PolarHBondContact OD2-OG 3.49Å; D142-A161 WeakPolarHBondContact CA-O 3.39Å; D142-A161 WeakPolarHBondContact CB-O 3.3Å
143A95.8Very high94.7Very high0 Ų031.4 Ų31.40%016%0.157CC..EExtended strand (participates in β ladder)trans-114.1130.5168.100000109.1L136 D137 C138 S160 A161 L163 L282 L285L136-A143 HydrophobicContact CD1-CB 4.23Å; D137-A143 CarbonylContact O-C 3.56Å; D137-A143 VanDerWaalsContact O-CA 3.25Å; D137-A143 WeakPolarHBondContact O-CA 3.49Å; C138-A143 HydrophobicContact CB-CB 4.35Å; A143-S160 VanDerWaalsContact O-CA 3.27Å; A143-S160 WeakPolarHBondContact O-CA 3.16Å; A143-S160 PolarHBondContact O-OG 3.25Å; A143-A161 PolarHBondContact N-O 3.06Å; A143-A161 PolarHBondContact O-N 3.28Å; A143-L163 HydrophobicContact CB-CB 4.08Å; A143-L282 HydrophobicContact CB-CD2 3.31Å; A143-L285 HydrophobicContact CB-CD1 4.35Å
144Q96.1Very high94.5Very high9 Ų933 Ų334%0.04217%0.165CC..EExtended strand (participates in β ladder)trans-122.7138.3-177.9-63.3176.12.600109.5S91 L93 H121 L136 D137 D142 Q159S91-Q144 PolarHBondContact OG-NE2 3.34Å; S91-Q144 PolarHBondContact OG-OE1 2.87Å; L93-Q144 HydrophobicContact CD1-CG 4.11Å; H121-Q144 PolarHBondContact CE1-OE1 3.4Å; L136-Q144 CarbonylContact C-O 3.4Å; L136-Q144 WeakPolarHBondContact CA-O 3.16Å; D137-Q144 PolarHBondContact N-O 3.33Å; D137-Q144 PolarHBondContact O-N 2.84Å; D142-Q144 PolarHBondContact OD2-NE2 3.14Å; Q144-Q159 CarbonylContact C-O 3.55Å; Q144-Q159 WeakPolarHBondContact CA-O 3.43Å
145V97.4Very high94.3Very high2 Ų235.9 Ų35.91%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-119123.2172.8-177.40000108.1V134 V135 L136 W158 Q159 L285 I286V134-V145 HydrophobicContact CG2-CG1 3.33Å; V135-V145 WeakPolarHBondContact O-CA 3.37Å; L136-V145 HydrophobicContact CB-CG2 4.32Å; L136-V145 HydrophobicContact CD1-CG2 3.62Å; V145-W158 CarbonylContact O-C 3.52Å; V145-W158 VanDerWaalsContact O-CA 3.28Å; V145-W158 WeakPolarHBondContact O-CA 3.19Å; V145-Q159 HydrophobicContact CB-CB 4.34Å; V145-Q159 PolarHBondContact N-O 3.25Å; V145-Q159 PolarHBondContact O-N 3.13Å; V145-L285 HydrophobicContact CG2-CB 3.72Å; V145-I286 HydrophobicContact CG1-CG1 4.44Å; V145-I286 HydrophobicContact CG2-CG1 4Å
146L96Very high94Very high2 Ų241.1 Ų41.11%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-130.3120.2175.8-171.368.8000110.1V92 H121 V135 T153 L155 W158V92-L146 HydrophobicContact CG2-CD2 3.67Å; H121-L146 HydrophobicContact CB-CB 4.07Å; H121-L146 HydrophobicContact CB-CD2 3.7Å; H121-L146 HydrophobicContact CB-CG 4.46Å; H121-L146 WeakPolarHBondContact CD2-CB 3.47Å; V135-L146 PolarHBondContact N-O 3.4Å; V135-L146 PolarHBondContact O-N 3.43Å; L146-T153 HydrophobicContact CD2-CG2 3.63Å; L146-L155 HydrophobicContact CD1-CD2 4.16Å; L146-W158 HydrophobicContact CD1-CB 3.68Å
147P97.1Very high93.9Very high0 Ų041.1 Ų41.10%021%0.208CC..EExtended strand (participates in β ladder)trans-80.3137.1170.823-13.4000110.2V134 L154 A157 S289 L301V134-P147 HydrophobicContact CG2-CB 4.43Å; P147-L154 HydrophobicContact CB-CB 4.46Å; P147-L154 HydrophobicContact CB-CD1 4.2Å; P147-L154 HydrophobicContact CG-CB 3.95Å; P147-L154 HydrophobicContact CG-CD1 4.32Å; P147-L154 WeakPolarHBondContact O-CB 3.42Å; P147-L154 PolarHBondContact O-N 3.22Å; P147-A157 HydrophobicContact CG-CB 3.72Å; P147-S289 WeakPolarHBondContact CD-OG 2.94Å; P147-S289 WeakPolarHBondContact CG-OG 3.25Å; P147-L301 HydrophobicContact CB-CD1 3.82Å; P147-L301 HydrophobicContact CB-CD2 4.1Å
148V95Very high93.8Very high0 Ų045 Ų450%022%0.221CC..EExtended strand (participates in β ladder)trans-119.2134.5173.9-175.70000107.7L122 L125 S132 A133 Y152 T153L122-V148 HydrophobicContact CD1-CG1 3.76Å; L125-V148 HydrophobicContact CD1-CB 3.55Å; L125-V148 HydrophobicContact CD1-CG1 3.64Å; L125-V148 HydrophobicContact CD1-CG2 3.96Å; S132-V148 CarbonylContact C-O 3.54Å; S132-V148 WeakPolarHBondContact CA-O 3.1Å; A133-V148 PolarHBondContact N-O 2.9Å; A133-V148 PolarHBondContact O-N 2.85Å; A133-V148 VanDerWaalsContact O-O 3.12Å; V148-Y152 CarbonylContact C-O 3.55Å; V148-Y152 VanDerWaalsContact CA-O 3.28Å; V148-Y152 WeakPolarHBondContact CA-O 3.45Å; V148-Y152 WeakPolarHBondContact CG1-O 3.24Å; V148-T153 HydrophobicContact CG2-CG2 4.12Å
149Y95Very high93.8Very high81 Ų8146.9 Ų46.932%0.31823%0.23SC..EExtended strand (participates in β ladder)trans-135.2125.5179-174.6-99.7000110.2G151 Y152 I297 K300Y149-G151 PolarHBondContact O-N 3.01Å; Y149-G151 VanDerWaalsContact O-N 3.12Å; Y149-Y152 PolarHBondContact N-O 2.79Å; Y149-Y152 WeakPolarHBondContact O-CB 3.36Å; Y149-Y152 PolarHBondContact O-N 3.27Å; Y149-I297 HydrophobicContact CD1-CG2 4.28Å; Y149-I297 HydrophobicContact CD2-CB 3.88Å; Y149-I297 HydrophobicContact CD2-CD1 4.16Å; Y149-I297 HydrophobicContact CD2-CG2 3.69Å; Y149-I297 HydrophobicContact CE1-CG2 3.98Å; Y149-I297 HydrophobicContact CE2-CB 3.84Å; Y149-I297 HydrophobicContact CE2-CG2 3.33Å; Y149-I297 HydrophobicContact CG-CD1 4.14Å; Y149-I297 HydrophobicContact CG-CG2 4.15Å; Y149-K300 HydrophobicContact CD2-CD 4.42Å; Y149-K300 HydrophobicContact CE2-CD 3.82Å
150E93Very high93.9Very high89 Ų8947.9 Ų47.942%0.41623%0.233SC..THydrogen-bonded Turntrans45.839.6-174.9-58.7-57.6157.800114S131 S132 Y152 K300S131-E150 WeakPolarHBondContact CB-OE2 3.34Å; S131-E150 WeakPolarHBondContact O-CA 3.28Å; S131-E150 PolarHBondContact O-N 3.27Å; S131-E150 PolarHBondContact OG-OE2 3.44Å; S132-E150 PolarHBondContact OG-N 3.38Å; S132-E150 VanDerWaalsContact OG-N 3.09Å; E150-Y152 VanDerWaalsContact C-N 3.33Å; E150-Y152 VanDerWaalsContact O-CD2 3.32Å; E150-Y152 WeakPolarHBondContact O-CD2 3.4Å; E150-Y152 PolarHBondContact O-N 3.13Å; E150-K300 IonicContact OE1-NZ 2.84Å; E150-K300 PolarHBondContact OE1-NZ 3.17Å
151G89Confident94Very high36 Ų3646 Ų4637%0.37123%0.229SC..THydrogen-bonded Turntrans81.90.5-179.300000115.7L122 S131 Y149L122-G151 WeakPolarHBondContact CD1-O 3.32Å; S131-G151 PolarHBondContact O-N 3.12Å; Y149-G151 PolarHBondContact O-N 3.01Å; Y149-G151 VanDerWaalsContact O-N 3.12Å
152Y90.4Very high94Very high179 Ų17950.2 Ų50.270%0.70225%0.248SC*.EExtended strand (participates in β ladder)trans-101.5132.9176.6-63-85.5000111.5V148 Y149 E150V148-Y152 CarbonylContact C-O 3.55Å; V148-Y152 VanDerWaalsContact CA-O 3.28Å; V148-Y152 WeakPolarHBondContact CA-O 3.45Å; V148-Y152 WeakPolarHBondContact CG1-O 3.24Å; Y149-Y152 PolarHBondContact N-O 2.79Å; Y149-Y152 WeakPolarHBondContact O-CB 3.36Å; Y149-Y152 PolarHBondContact O-N 3.27Å; E150-Y152 VanDerWaalsContact C-N 3.33Å; E150-Y152 VanDerWaalsContact O-CD2 3.32Å; E150-Y152 WeakPolarHBondContact O-CD2 3.4Å; E150-Y152 PolarHBondContact O-N 3.13Å
153T91.3Very high94Very high36 Ų3649.1 Ų49.122%0.22124%0.242CC..EExtended strand (participates in β ladder)trans-80.2122.7175.1510000110.7L122 L146 V148 L155L122-T153 HydrophobicContact CB-CG2 4.3Å; L146-T153 HydrophobicContact CD2-CG2 3.63Å; V148-T153 HydrophobicContact CG2-CG2 4.12Å; T153-L155 PolarHBondContact O-N 3.06Å
154L93Very high93.9Very high34 Ų3449.1 Ų49.118%0.17824%0.242CC..  trans-83.680179.3-65.3177.3000110.7P147 N156 A157 W158 I297P147-L154 HydrophobicContact CB-CB 4.46Å; P147-L154 HydrophobicContact CB-CD1 4.2Å; P147-L154 HydrophobicContact CG-CB 3.95Å; P147-L154 HydrophobicContact CG-CD1 4.32Å; P147-L154 WeakPolarHBondContact O-CB 3.42Å; P147-L154 PolarHBondContact O-N 3.22Å; L154-N156 PolarHBondContact O-N 3.01Å; L154-N156 VanDerWaalsContact O-N 3.1Å; L154-A157 HydrophobicContact CB-CB 4.38Å; L154-A157 PolarHBondContact O-N 3.42Å; L154-W158 PolarHBondContact O-N 3.49Å; L154-I297 HydrophobicContact CD1-CD1 3.4Å; L154-I297 VanDerWaalsContact CD1-CD1 3.4Å
155L91.5Very high93.8Very high60 Ų6049 Ų4931%0.31424%0.242SC..THydrogen-bonded Turntrans-65.9-7.6-178.3-61.3179.6000114.4V92 L146 T153V92-L155 HydrophobicContact CG1-CD2 3.89Å; L146-L155 HydrophobicContact CD1-CD2 4.16Å; T153-L155 PolarHBondContact O-N 3.06Å
156N92Very high93.6Very high111 Ų11152.9 Ų52.959%0.59426%0.259SS*.THydrogen-bonded Turntrans-86.8-16.7171.663.5-24.6000113L154L154-N156 PolarHBondContact O-N 3.01Å; L154-N156 VanDerWaalsContact O-N 3.1Å
157A94.6Very high93.5Very high0 Ų056.8 Ų56.80%028%0.275CS..SBendtrans-117.314.7-175.400000112.6P147 L154 S289 L292P147-A157 HydrophobicContact CG-CB 3.72Å; L154-A157 HydrophobicContact CB-CB 4.38Å; L154-A157 PolarHBondContact O-N 3.42Å; A157-S289 WeakPolarHBondContact O-CA 3.45Å; A157-S289 WeakPolarHBondContact O-CB 3.38Å; A157-S289 PolarHBondContact O-OG 3.04Å; A157-L292 HydrophobicContact CB-CB 3.68Å
158W94.6Very high93.4Very high108 Ų10856.8 Ų56.841%0.40928%0.275SS..  trans-68.5149.217277.3-67.9000110.8L93 V145 L146 L154L93-W158 HydrophobicContact CD1-CE3 4.42Å; L93-W158 HydrophobicContact CD1-CH2 4.33Å; L93-W158 HydrophobicContact CD1-CZ3 3.64Å; L93-W158 HydrophobicContact CD2-CE3 3.97Å; L93-W158 HydrophobicContact CD2-CH2 3.66Å; L93-W158 HydrophobicContact CD2-CZ2 4.4Å; L93-W158 HydrophobicContact CD2-CZ3 3.43Å; L93-W158 VanDerWaalsContact CD2-CZ3 3.43Å; L93-W158 HydrophobicContact CG-CZ3 4.07Å; V145-W158 CarbonylContact O-C 3.52Å; V145-W158 VanDerWaalsContact O-CA 3.28Å; V145-W158 WeakPolarHBondContact O-CA 3.19Å; L146-W158 HydrophobicContact CD1-CB 3.68Å; L154-W158 PolarHBondContact O-N 3.49Å
159Q95.9Very high93.4Very high41 Ų4157 Ų5719%0.19228%0.276CS..EExtended strand (participates in β ladder)trans-134.3150.1172.5-63.1-68.7-71.900109Q144 V145 L285 R288 L292Q144-Q159 CarbonylContact C-O 3.55Å; Q144-Q159 WeakPolarHBondContact CA-O 3.43Å; V145-Q159 HydrophobicContact CB-CB 4.34Å; V145-Q159 PolarHBondContact N-O 3.25Å; V145-Q159 PolarHBondContact O-N 3.13Å; Q159-L285 HydrophobicContact CB-CB 4.23Å; Q159-L285 HydrophobicContact CB-CD2 3.94Å; Q159-R288 HydrophobicContact CG-CB 4.08Å; Q159-L292 VanDerWaalsContact NE2-CD1 3.25Å
160S95Very high93.3Very high41 Ų4156.6 Ų56.629%0.28728%0.277SS..EExtended strand (participates in β ladder)trans-148.7148.6173.3177.80000110.8D142 A143D142-S160 PolarHBondContact OD2-OG 3.49Å; A143-S160 VanDerWaalsContact O-CA 3.27Å; A143-S160 WeakPolarHBondContact O-CA 3.16Å; A143-S160 PolarHBondContact O-OG 3.25Å
161A94.9Very high93.3Very high16 Ų1654 Ų5413%0.13227%0.267CS..EExtended strand (participates in β ladder)trans-148.9160.8167.500000110.6D142 A143 L163 I280 L285D142-A161 WeakPolarHBondContact CA-O 3.39Å; D142-A161 WeakPolarHBondContact CB-O 3.3Å; A143-A161 PolarHBondContact N-O 3.06Å; A143-A161 PolarHBondContact O-N 3.28Å; A161-L163 HydrophobicContact CB-CD1 4.08Å; A161-L163 HydrophobicContact CB-CG 3.93Å; A161-L163 PolarHBondContact O-N 3.48Å; A161-I280 HydrophobicContact CB-CG2 3.66Å; A161-L285 HydrophobicContact CB-CD1 3.87Å; A161-L285 HydrophobicContact CB-CD2 4.08Å; A161-L285 HydrophobicContact CB-CG 4.47Å
162Q93.3Very high93.4Very high168 Ų16852.3 Ų52.379%0.78525%0.249SC*.SBendtrans-75.848.3177-63.5-175.7-13.400112.5
163L93.3Very high93.5Very high19 Ų1947.6 Ų47.610%0.09923%0.23CC..  trans-102.652.1179.6-62.9178.1000110.7C138 A143 A161 L272 I280 L282 L285C138-L163 PolarHBondContact SG-O 3.44Å; A143-L163 HydrophobicContact CB-CB 4.08Å; A161-L163 HydrophobicContact CB-CD1 4.08Å; A161-L163 HydrophobicContact CB-CG 3.93Å; A161-L163 PolarHBondContact O-N 3.48Å; L163-L272 HydrophobicContact CB-CD2 4Å; L163-L272 WeakPolarHBondContact O-CD2 3.42Å; L163-I280 HydrophobicContact CD1-CG2 4.28Å; L163-L282 HydrophobicContact CB-CD2 3.69Å; L163-L282 HydrophobicContact CB-CG 4.4Å; L163-L282 HydrophobicContact CD1-CD2 3.97Å; L163-L282 HydrophobicContact CD1-CG 4.24Å; L163-L285 HydrophobicContact CD1-CD1 4.29Å
164G93Very high93.4Very high0 Ų048.7 Ų48.70%024%0.239CC..SBendtrans-103.3179.5177.100000113.4G139 Y140 K166 K167G139-G164 WeakPolarHBondContact O-CA 3.43Å; Y140-G164 CarbonylContact O-C 3.51Å; Y140-G164 WeakPolarHBondContact O-CA 3.46Å; G164-K166 PolarHBondContact O-N 2.76Å; G164-K166 VanDerWaalsContact O-N 3.1Å; G164-K167 PolarHBondContact O-N 2.91Å
165S94.3Very high93.2Very high6 Ų648.2 Ų48.24%0.04224%0.235CC..Hα-helixtrans-55.8-26.4174.7-79.80000113.7G139 Y140 K167 I168 H169 K209 T311G139-S165 PolarHBondContact O-N 3.09Å; G139-S165 VanDerWaalsContact O-N 3.08Å; Y140-S165 PolarHBondContact O-N 3.06Å; Y140-S165 VanDerWaalsContact O-N 3.15Å; S165-K167 PolarHBondContact O-N 2.94Å; S165-I168 CarbonylContact O-C 3.6Å; S165-I168 WeakPolarHBondContact O-CA 3.29Å; S165-I168 WeakPolarHBondContact O-CB 3.41Å; S165-I168 PolarHBondContact O-N 2.66Å; S165-I168 VanDerWaalsContact O-N 3.08Å; S165-H169 PolarHBondContact O-CD2 2.95Å; S165-H169 PolarHBondContact O-N 2.95Å; S165-K209 PolarHBondContact OG-NZ 2.84Å; S165-T311 PolarHBondContact N-OG1 2.79Å; S165-T311 PolarHBondContact OG-OG1 3.17Å
166K94.2Very high93Very high83 Ų8345.5 Ų45.536%0.36122%0.221SC..Hα-helixtrans-55.6-40.4174.5-176.9-176.8174.1-170.30111.7Y140 M141 G164 I168 H169 E170Y140-K166 HydrophobicContact CD1-CB 4.28Å; Y140-K166 HydrophobicContact CE1-CB 3.95Å; Y140-K166 HydrophobicContact CE1-CG 4.31Å; Y140-K166 HydrophobicContact CE2-CB 4.4Å; Y140-K166 VanDerWaalsContact O-CB 3.24Å; Y140-K166 WeakPolarHBondContact O-CB 3.13Å; Y140-K166 PolarHBondContact O-N 2.8Å; M141-K166 HydrophobicContact CE-CD 4.37Å; M141-K166 HydrophobicContact SD-CD 4.07Å; G164-K166 PolarHBondContact O-N 2.76Å; G164-K166 VanDerWaalsContact O-N 3.1Å; K166-I168 VanDerWaalsContact C-N 3.33Å; K166-I168 PolarHBondContact O-N 2.87Å; K166-H169 WeakPolarHBondContact O-CB 3.41Å; K166-H169 PolarHBondContact O-N 2.77Å; K166-E170 WeakPolarHBondContact CE-OE1 3.25Å; K166-E170 WeakPolarHBondContact O-CG 3.47Å; K166-E170 PolarHBondContact O-N 3.19Å
167K93.9Very high92.7Very high84 Ų8443.5 Ų43.537%0.36521%0.21SC..Hα-helixtrans-67.3-37.2177.9-169.465.2-176.7172.80111.9G164 S165 H169 E170 N171 C271G164-K167 PolarHBondContact O-N 2.91Å; S165-K167 PolarHBondContact O-N 2.94Å; K167-H169 VanDerWaalsContact C-N 3.33Å; K167-E170 IonicContact NZ-OE2 3.09Å; K167-E170 PolarHBondContact O-N 3.42Å; K167-N171 PolarHBondContact O-N 2.94Å; K167-C271 HydrophobicContact CG-CB 3.97Å
168I94.9Very high92.2Very high0 Ų049.7 Ų49.70%024%0.239CC..Hα-helixtrans-63.3-41.8173-51.2177.2000110.1S165 K166 N171 I172 K209 A268 V269 L272 T311 L314S165-I168 CarbonylContact O-C 3.6Å; S165-I168 WeakPolarHBondContact O-CA 3.29Å; S165-I168 WeakPolarHBondContact O-CB 3.41Å; S165-I168 PolarHBondContact O-N 2.66Å; S165-I168 VanDerWaalsContact O-N 3.08Å; K166-I168 VanDerWaalsContact C-N 3.33Å; K166-I168 PolarHBondContact O-N 2.87Å; I168-N171 WeakPolarHBondContact O-CB 3.3Å; I168-N171 PolarHBondContact O-N 3.24Å; I168-I172 HydrophobicContact CG2-CD1 3.87Å; I168-I172 HydrophobicContact CG2-CG1 4.32Å; I168-I172 VanDerWaalsContact O-CG1 3.31Å; I168-I172 WeakPolarHBondContact O-CG1 3.27Å; I168-I172 PolarHBondContact O-N 3.41Å; I168-K209 HydrophobicContact CG2-CD 4.21Å; I168-K209 HydrophobicContact CG2-CG 4.26Å; I168-A268 HydrophobicContact CG2-CB 4.09Å; I168-V269 HydrophobicContact CD1-CG1 4.33Å; I168-V269 HydrophobicContact CG2-CG2 4.41Å; I168-L272 HydrophobicContact CD1-CD1 4.1Å; I168-T311 HydrophobicContact CD1-CG2 3.79Å; I168-L314 HydrophobicContact CD1-CD1 4.07Å
169H94.5Very high91.6Very high4 Ų447.4 Ų47.42%0.01924%0.235CC..Hα-helixtrans-63.4-43.3178.1-74.6-145.8000111.7Y140 S165 K166 K167 N171 I172 R173 E202 I205 E206 K209Y140-H169 AromaticContact CE2-CE1 3.71Å; Y140-H169 AromaticContact CE2-ND1 3.8Å; S165-H169 PolarHBondContact O-CD2 2.95Å; S165-H169 PolarHBondContact O-N 2.95Å; K166-H169 WeakPolarHBondContact O-CB 3.41Å; K166-H169 PolarHBondContact O-N 2.77Å; K167-H169 VanDerWaalsContact C-N 3.33Å; H169-N171 VanDerWaalsContact C-N 3.33Å; H169-N171 PolarHBondContact O-N 2.93Å; H169-I172 PolarHBondContact O-N 2.85Å; H169-R173 WeakPolarHBondContact O-CB 3.42Å; H169-R173 PolarHBondContact O-N 2.82Å; H169-E202 IonicContact CE1-OE2 2.64Å; H169-E202 IonicContact CG-OE2 2.72Å; H169-E202 IonicContact ND1-OE2 3.78Å; H169-E202 PolarHBondContact ND1-OE2 2.93Å; H169-I205 HydrophobicContact CB-CG2 3.74Å; H169-I205 VanDerWaalsContact CG-CG2 3.48Å; H169-E206 IonicContact CE1-OE2 2.74Å; H169-E206 PolarHBondContact CE1-OE2 2.74Å; H169-E206 IonicContact NE2-OE2 3.75Å; H169-E206 PolarHBondContact NE2-OE2 3.32Å; H169-K209 PolarHBondContact NE2-NZ 3.47Å; H169-K209 VanDerWaalsContact NE2-NZ 3.13Å
170E93.1Very high90.9Very high73 Ų7345.9 Ų45.934%0.34123%0.229SC..Hα-helixtrans-59.3-43.9174.2-71.4170.2-173.400111.6K166 K167 R173 S174K166-E170 WeakPolarHBondContact CE-OE1 3.25Å; K166-E170 WeakPolarHBondContact O-CG 3.47Å; K166-E170 PolarHBondContact O-N 3.19Å; K167-E170 IonicContact NZ-OE2 3.09Å; K167-E170 PolarHBondContact O-N 3.42Å; E170-R173 PolarHBondContact O-N 2.94Å; E170-S174 PolarHBondContact O-N 2.85Å
171N92.3Very high90.3Very high35 Ų3549 Ų4919%0.18724%0.237CC..Hα-helixtrans-63.1-50.1175.4-83.56.2000112.2K167 I168 H169 R173 S174 Y175 A268 C271K167-N171 PolarHBondContact O-N 2.94Å; I168-N171 WeakPolarHBondContact O-CB 3.3Å; I168-N171 PolarHBondContact O-N 3.24Å; H169-N171 VanDerWaalsContact C-N 3.33Å; H169-N171 PolarHBondContact O-N 2.93Å; N171-R173 VanDerWaalsContact C-N 3.26Å; N171-R173 PolarHBondContact O-N 3.37Å; N171-S174 WeakPolarHBondContact O-CB 3.27Å; N171-S174 PolarHBondContact O-N 2.83Å; N171-S174 VanDerWaalsContact O-N 3.13Å; N171-Y175 WeakPolarHBondContact O-CD2 3.44Å; N171-Y175 PolarHBondContact O-N 2.78Å; N171-A268 PolarHBondContact ND2-O 3.31Å; N171-A268 VanDerWaalsContact ND2-O 3.12Å; N171-C271 VanDerWaalsContact ND2-CB 3.31Å; N171-C271 WeakPolarHBondContact ND2-CB 3.36Å
172I92.4Very high89.7Confident0 Ų048.7 Ų48.70%023%0.234CC..Hα-helixtrans-56.2-45.2178-70.5170.2000109.7I168 H169 S174 Y175 L176 I205 I208 K209 I264 A268I168-I172 HydrophobicContact CG2-CD1 3.87Å; I168-I172 HydrophobicContact CG2-CG1 4.32Å; I168-I172 VanDerWaalsContact O-CG1 3.31Å; I168-I172 WeakPolarHBondContact O-CG1 3.27Å; I168-I172 PolarHBondContact O-N 3.41Å; H169-I172 PolarHBondContact O-N 2.85Å; I172-S174 PolarHBondContact O-N 3Å; I172-Y175 PolarHBondContact O-N 3.24Å; I172-L176 HydrophobicContact CG2-CD1 3.64Å; I172-L176 HydrophobicContact CG2-CG 4.03Å; I172-L176 WeakPolarHBondContact O-CB 3.39Å; I172-L176 VanDerWaalsContact O-CG 3.24Å; I172-L176 WeakPolarHBondContact O-CG 3.34Å; I172-L176 PolarHBondContact O-N 3.27Å; I172-I205 HydrophobicContact CB-CG2 4.04Å; I172-I205 HydrophobicContact CD1-CG2 4.15Å; I172-I205 HydrophobicContact CG2-CG1 4.35Å; I172-I205 HydrophobicContact CG2-CG2 3.89Å; I172-I208 HydrophobicContact CG2-CG2 4.39Å; I172-K209 HydrophobicContact CD1-CB 3.85Å; I172-K209 HydrophobicContact CD1-CG 4.4Å; I172-I264 HydrophobicContact CB-CD1 4.33Å; I172-I264 HydrophobicContact CG1-CD1 4.39Å; I172-I264 HydrophobicContact CG1-CG1 4.38Å; I172-I264 HydrophobicContact CG2-CD1 3.9Å; I172-A268 HydrophobicContact CD1-CB 4.3Å; I172-A268 HydrophobicContact CG1-CB 3.6Å
173R91.8Very high89Confident81 Ų8141.3 Ų41.331%0.30620%0.2SC..Hα-helixtrans-58-47.2176.6-178.6179.1-69121.52.9112H169 E170 N171 Y175 L176 N177 E202 I205H169-R173 WeakPolarHBondContact O-CB 3.42Å; H169-R173 PolarHBondContact O-N 2.82Å; E170-R173 PolarHBondContact O-N 2.94Å; N171-R173 VanDerWaalsContact C-N 3.26Å; N171-R173 PolarHBondContact O-N 3.37Å; R173-Y175 VanDerWaalsContact C-N 3.34Å; R173-Y175 PolarHBondContact O-N 2.68Å; R173-L176 PolarHBondContact O-N 3.42Å; R173-N177 WeakPolarHBondContact O-CB 3.37Å; R173-N177 VanDerWaalsContact O-CG 3.27Å; R173-N177 PolarHBondContact O-N 3.46Å; R173-N177 PolarHBondContact O-OD1 2.92Å; R173-E202 IonicContact CZ-OE1 2.75Å; R173-E202 IonicContact NH1-OE1 2.71Å; R173-E202 IonicContact NH2-OE1 3.16Å; R173-E202 PolarHBondContact NH2-OE1 3.36Å; R173-I205 HydrophobicContact CB-CD1 4.18Å
174S89.9Confident88.2Confident58 Ų5841.3 Ų41.341%0.40620%0.2SC..Hα-helixtrans-57.4-48.3176.6-160.20000111.4E170 N171 I172 L176 N177 E178E170-S174 PolarHBondContact O-N 2.85Å; N171-S174 WeakPolarHBondContact O-CB 3.27Å; N171-S174 PolarHBondContact O-N 2.83Å; N171-S174 VanDerWaalsContact O-N 3.13Å; I172-S174 PolarHBondContact O-N 3Å; S174-L176 PolarHBondContact O-N 3.49Å; S174-N177 PolarHBondContact O-N 3.41Å; S174-E178 WeakPolarHBondContact O-CG 3.5Å; S174-E178 PolarHBondContact O-N 2.7Å; S174-E178 VanDerWaalsContact O-N 3.12Å; S174-E178 PolarHBondContact OG-OE1 3.11Å
175Y87.7Confident87Confident25 Ų2546.4 Ų46.410%0.09823%0.231CC..Hα-helixtrans-64.8-38.4180-78.8-67.2000113N171 I172 R173 N179 K228 I264 L267N171-Y175 WeakPolarHBondContact O-CD2 3.44Å; N171-Y175 PolarHBondContact O-N 2.78Å; I172-Y175 PolarHBondContact O-N 3.24Å; R173-Y175 VanDerWaalsContact C-N 3.34Å; R173-Y175 PolarHBondContact O-N 2.68Å; Y175-N179 WeakPolarHBondContact O-CB 3.44Å; Y175-N179 PolarHBondContact O-N 3.43Å; Y175-N179 PolarHBondContact O-ND2 3.25Å; Y175-K228 PolarHBondContact OH-NZ 3Å; Y175-I264 HydrophobicContact CD2-CG1 4.27Å; Y175-I264 HydrophobicContact CG-CG1 4.18Å; Y175-L267 HydrophobicContact CE1-CD1 4.05Å; Y175-L267 HydrophobicContact CE2-CB 4.01Å
176L87.4Confident85.7Confident2 Ų249.7 Ų49.71%0.0125%0.247CC..Hα-helixtrans-67.7-43.3176.6-70.3176.2000111.1I172 R173 S174 E178 N179 A180 I200 I208 V260 I264I172-L176 HydrophobicContact CG2-CD1 3.64Å; I172-L176 HydrophobicContact CG2-CG 4.03Å; I172-L176 WeakPolarHBondContact O-CB 3.39Å; I172-L176 VanDerWaalsContact O-CG 3.24Å; I172-L176 WeakPolarHBondContact O-CG 3.34Å; I172-L176 PolarHBondContact O-N 3.27Å; R173-L176 PolarHBondContact O-N 3.42Å; S174-L176 PolarHBondContact O-N 3.49Å; L176-E178 VanDerWaalsContact C-N 3.26Å; L176-E178 PolarHBondContact O-N 2.89Å; L176-N179 PolarHBondContact O-N 3.36Å; L176-A180 HydrophobicContact CB-CB 4.11Å; L176-A180 HydrophobicContact CD2-CB 3.92Å; L176-A180 WeakPolarHBondContact O-CA 3.49Å; L176-A180 WeakPolarHBondContact O-CB 3.42Å; L176-A180 PolarHBondContact O-N 2.85Å; L176-I200 HydrophobicContact CB-CD1 3.86Å; L176-I200 HydrophobicContact CD1-CD1 4.49Å; L176-I200 HydrophobicContact CD1-CG2 3.93Å; L176-I208 HydrophobicContact CD1-CD1 3.85Å; L176-I208 HydrophobicContact CD2-CD1 4.24Å; L176-V260 HydrophobicContact CD2-CB 4.5Å; L176-V260 HydrophobicContact CD2-CG1 3.8Å; L176-V260 HydrophobicContact CD2-CG2 3.83Å; L176-I264 HydrophobicContact CD2-CD1 4.05Å; L176-I264 HydrophobicContact CG-CD1 4.06Å
177N86.3Confident84Confident70 Ų7053.7 Ų53.737%0.37427%0.272SS..Hα-helixtrans-63.6-34.3179.5-73.513.9000112.4R173 S174 D197 I200R173-N177 WeakPolarHBondContact O-CB 3.37Å; R173-N177 VanDerWaalsContact O-CG 3.27Å; R173-N177 PolarHBondContact O-N 3.46Å; R173-N177 PolarHBondContact O-OD1 2.92Å; S174-N177 PolarHBondContact O-N 3.41Å; N177-D197 PolarHBondContact ND2-OD1 3.32Å; N177-D197 PolarHBondContact OD1-OD1 2.97Å; N177-I200 WeakPolarHBondContact OD1-CD1 3.34Å
178E83.9Confident82.6Confident129 Ų12952.7 Ų52.760%0.60329%0.286SS*.Hα-helixtrans-78.8-39.3179.1-71.3167.6-155.900113S174 L176S174-E178 WeakPolarHBondContact O-CG 3.5Å; S174-E178 PolarHBondContact O-N 2.7Å; S174-E178 VanDerWaalsContact O-N 3.12Å; S174-E178 PolarHBondContact OG-OE1 3.11Å; L176-E178 VanDerWaalsContact C-N 3.26Å; L176-E178 PolarHBondContact O-N 2.89Å
179N82.1Confident81.1Confident61 Ų6159.2 Ų59.233%0.32632%0.317SS..Hα-helixtrans-123-14.9-164.3-57.2-69.7000115.2Y175 L176 T261Y175-N179 WeakPolarHBondContact O-CB 3.44Å; Y175-N179 PolarHBondContact O-N 3.43Å; Y175-N179 PolarHBondContact O-ND2 3.25Å; L176-N179 PolarHBondContact O-N 3.36Å; N179-T261 HydrophobicContact CB-CG2 3.83Å
180A81.3Confident79.7Confident8 Ų863.2 Ų63.27%0.06635%0.345CS..  trans-74.6134.1-174.100000112L176 C195 I258L176-A180 HydrophobicContact CB-CB 4.11Å; L176-A180 HydrophobicContact CD2-CB 3.92Å; L176-A180 WeakPolarHBondContact O-CA 3.49Å; L176-A180 WeakPolarHBondContact O-CB 3.42Å; L176-A180 PolarHBondContact O-N 2.85Å; A180-C195 HydrophobicContact CB-CB 4.2Å; A180-C195 PolarHBondContact O-N 3.22Å; A180-I258 HydrophobicContact CB-CG2 3.83Å
181K82.2Confident78.7Confident106 Ų10664.1 Ų64.146%0.46135%0.35SS..EExtended strand (participates in β ladder)trans-123.4131.5175.1-60.2179.1-173.8177.30109.4L192 T193 Q259K181-L192 HydrophobicContact CB-CB 4.1Å; K181-L192 HydrophobicContact CB-CD2 4.19Å; K181-L192 HydrophobicContact CD-CB 4.01Å; K181-L192 HydrophobicContact CD-CD1 4.14Å; K181-T193 CarbonylContact C-O 3.44Å; K181-T193 VanDerWaalsContact CA-O 3.31Å; K181-T193 WeakPolarHBondContact CA-O 3.49Å; K181-Q259 PolarHBondContact N-O 2.9Å; K181-Q259 VanDerWaalsContact N-O 3.14Å; K181-Q259 PolarHBondContact O-N 3.42Å
182L81.3Confident77.9Confident11 Ų1166.3 Ų66.36%0.05836%0.361CS..EExtended strand (participates in β ladder)trans-73136.4169.5-71.7170.1000109.4L192 T193 C195 F199 I258L182-L192 CarbonylContact O-C 3.53Å; L182-L192 WeakPolarHBondContact O-CA 3.32Å; L182-T193 WeakPolarHBondContact CB-OG1 3.42Å; L182-T193 PolarHBondContact N-O 3.24Å; L182-T193 PolarHBondContact O-N 2.92Å; L182-C195 HydrophobicContact CD1-CB 4.43Å; L182-C195 HydrophobicContact CG-CB 3.99Å; L182-F199 HydrophobicContact CD2-CD1 3.95Å; L182-F199 HydrophobicContact CD2-CE1 3.6Å; L182-F199 HydrophobicContact CD2-CZ 3.99Å; L182-I258 HydrophobicContact CD2-CG1 3.98Å
183V79.3Confident77Confident12 Ų1268.5 Ų68.57%0.07337%0.374CS..EExtended strand (participates in β ladder)trans-93.7102.4174-175.30000107.5L192 P257 Q259V183-L192 HydrophobicContact CG2-CD2 3.86Å; V183-P257 HydrophobicContact CB-CG 3.98Å; V183-P257 HydrophobicContact CG1-CG 4.46Å; V183-P257 HydrophobicContact CG2-CG 4.45Å; V183-P257 PolarHBondContact N-O 2.91Å; V183-Q259 HydrophobicContact CG2-CB 4.17Å
184D76Confident76.2Confident20 Ų2070 Ų7011%0.10739%0.394CS..EExtended strand (participates in β ladder)trans-93.4129.6172.2-71.2-47.5000109.1I186 Q191 T193 R256D184-I186 HydrophobicContact CB-CD1 4.35Å; D184-I186 HydrophobicContact CB-CG1 4.19Å; D184-I186 PolarHBondContact O-N 2.99Å; D184-Q191 PolarHBondContact N-O 2.97Å; D184-Q191 PolarHBondContact O-N 2.84Å; D184-T193 WeakPolarHBondContact OD2-CB 3.49Å; D184-T193 WeakPolarHBondContact OD2-CG2 3.47Å; D184-T193 PolarHBondContact OD2-OG1 3.2Å; D184-R256 WeakPolarHBondContact OD1-CD 3.48Å; D184-R256 IonicContact OD1-CZ 2.68Å; D184-R256 IonicContact OD1-NE 3.25Å; D184-R256 IonicContact OD1-NH1 2.83Å; D184-R256 PolarHBondContact OD1-NH1 2.77Å
185V69.2Low75.4Confident106 Ų10667.9 Ų67.964%0.64238%0.38SS*.EExtended strand (participates in β ladder)trans-93.299.9171.6-176.80000107.8
186I65.4Low74.7Confident75 Ų7569.8 Ų69.839%0.38540%0.395SS..EExtended strand (participates in β ladder)trans-110.7119.7176.7-55.4176.7000107.3D184 G188 E189D184-I186 HydrophobicContact CB-CD1 4.35Å; D184-I186 HydrophobicContact CB-CG1 4.19Å; D184-I186 PolarHBondContact O-N 2.99Å; I186-G188 PolarHBondContact O-N 2.73Å; I186-G188 VanDerWaalsContact O-N 3.15Å; I186-E189 PolarHBondContact N-O 2.84Å; I186-E189 PolarHBondContact O-N 3.42Å
187N60.1Low73.9Confident167 Ų16774.8 Ų74.889%0.89342%0.422SS*.THydrogen-bonded Turntrans56.826.4-179.4-57-27000115.1E189N187-E189 VanDerWaalsContact C-N 3.3Å
188G63.6Low73Confident64 Ų6477.3 Ų77.366%0.6644%0.443SS*.THydrogen-bonded Turntrans86.1-6-177.600000114.5I186I186-G188 PolarHBondContact O-N 2.73Å; I186-G188 VanDerWaalsContact O-N 3.15Å
189E62.7Low72.4Confident136 Ų13673.3 Ų73.364%0.63642%0.424SS*.EExtended strand (participates in β ladder)trans-96.3133.6173-67.1-174.7168.400110.4I186 N187 Q191I186-E189 PolarHBondContact N-O 2.84Å; I186-E189 PolarHBondContact O-N 3.42Å; N187-E189 VanDerWaalsContact C-N 3.3Å; E189-Q191 PolarHBondContact O-N 3.24Å
190S66.6Low72.2Confident88 Ų8871.1 Ų71.162%0.61541%0.412SS*.EExtended strand (participates in β ladder)trans-79.5104.1176.4-60.50000109.4
191Q72Confident72.4Confident93 Ų9373.3 Ų73.344%0.43543%0.427SS..EExtended strand (participates in β ladder)trans-97.9145.2173.4-65.3-171.3400110.3D184 E189D184-Q191 PolarHBondContact N-O 2.97Å; D184-Q191 PolarHBondContact O-N 2.84Å; E189-Q191 PolarHBondContact O-N 3.24Å
192L74.1Confident72.5Confident81 Ų8172 Ų7242%0.42442%0.422SS..EExtended strand (participates in β ladder)trans-105.4112.1-177.2-64.8173.3000110K181 L182 V183 Q259K181-L192 HydrophobicContact CB-CB 4.1Å; K181-L192 HydrophobicContact CB-CD2 4.19Å; K181-L192 HydrophobicContact CD-CB 4.01Å; K181-L192 HydrophobicContact CD-CD1 4.14Å; L182-L192 CarbonylContact O-C 3.53Å; L182-L192 WeakPolarHBondContact O-CA 3.32Å; V183-L192 HydrophobicContact CG2-CD2 3.86Å; L192-Q259 HydrophobicContact CD2-CB 4.37Å
193T74.4Confident72.7Confident45 Ų4576.6 Ų76.628%0.27644%0.443SS..EExtended strand (participates in β ladder)trans-105.9147176.652.70000110.6K181 L182 D184 C195K181-T193 CarbonylContact C-O 3.44Å; K181-T193 VanDerWaalsContact CA-O 3.31Å; K181-T193 WeakPolarHBondContact CA-O 3.49Å; L182-T193 WeakPolarHBondContact CB-OG1 3.42Å; L182-T193 PolarHBondContact N-O 3.24Å; L182-T193 PolarHBondContact O-N 2.92Å; D184-T193 WeakPolarHBondContact OD2-CB 3.49Å; D184-T193 WeakPolarHBondContact OD2-CG2 3.47Å; D184-T193 PolarHBondContact OD2-OG1 3.2Å; T193-C195 PolarHBondContact O-N 3.25Å
194P75.8Confident73Confident112 Ų11276.1 Ų76.173%0.72744%0.44SS*.EExtended strand (participates in β ladder)trans-60.3135.7174.3-22.833.6000111.4P196P194-P196 WeakPolarHBondContact O-CD 3.39Å
195C73.3Confident73.7Confident15 Ų1575.2 Ų75.210%0.10144%0.435CS..PPolyproline II helixtrans-76.3123.8177.7-173.20000110.6A180 L182 T193A180-C195 HydrophobicContact CB-CB 4.2Å; A180-C195 PolarHBondContact O-N 3.22Å; L182-C195 HydrophobicContact CD1-CB 4.43Å; L182-C195 HydrophobicContact CG-CB 3.99Å; T193-C195 PolarHBondContact O-N 3.25Å
196P71.4Confident74.7Confident64 Ų6471.7 Ų71.742%0.41641%0.412SS..PPolyproline II helixtrans-74145.7174.228.8-30.4000111.3P194 C198 F199P194-P196 WeakPolarHBondContact O-CD 3.39Å; P196-C198 PolarHBondContact O-N 3.28Å; P196-C198 VanDerWaalsContact O-N 3.15Å; P196-F199 HydrophobicContact CG-CB 4.27Å; P196-F199 VanDerWaalsContact O-CB 3.23Å; P196-F199 WeakPolarHBondContact O-CB 3.36Å; P196-F199 PolarHBondContact O-N 2.84Å
197D71.6Confident75.9Confident108 Ų10869.6 Ų69.658%0.57840%0.402SS*.G310 helixtrans-54.3-36.2-178.6-75.3-13.6000113.4N177 F199 I200N177-D197 PolarHBondContact ND2-OD1 3.32Å; N177-D197 PolarHBondContact OD1-OD1 2.97Å; D197-F199 PolarHBondContact O-N 3.02Å; D197-F199 VanDerWaalsContact O-N 3.14Å; D197-I200 PolarHBondContact O-N 3.35Å
198C66.2Low77.2Confident122 Ų12261.7 Ų61.782%0.82436%0.359SS*.G310 helixtrans-64.3-17.8-179.862.40000113.6P196P196-C198 PolarHBondContact O-N 3.28Å; P196-C198 VanDerWaalsContact O-N 3.15Å
199F71.6Confident78.6Confident45 Ų4559.2 Ų59.220%0.19733%0.33CS..G310 helixtrans-76.8-25.8176.4-165.8-105.2000112L182 P196 D197 S201 I204 L249 N254 I258L182-F199 HydrophobicContact CD2-CD1 3.95Å; L182-F199 HydrophobicContact CD2-CE1 3.6Å; L182-F199 HydrophobicContact CD2-CZ 3.99Å; P196-F199 HydrophobicContact CG-CB 4.27Å; P196-F199 VanDerWaalsContact O-CB 3.23Å; P196-F199 WeakPolarHBondContact O-CB 3.36Å; P196-F199 PolarHBondContact O-N 2.84Å; D197-F199 PolarHBondContact O-N 3.02Å; D197-F199 VanDerWaalsContact O-N 3.14Å; F199-S201 PolarHBondContact O-N 3.07Å; F199-S201 VanDerWaalsContact O-N 3.11Å; F199-I204 WeakPolarHBondContact O-CD1 3.41Å; F199-L249 HydrophobicContact CE1-CD1 3.41Å; F199-L249 VanDerWaalsContact CE1-CD1 3.41Å; F199-L249 HydrophobicContact CZ-CD1 3.69Å; F199-N254 HydrophobicContact CE2-CB 4.44Å; F199-N254 HydrophobicContact CZ-CB 4.03Å; F199-N254 WeakPolarHBondContact CZ-ND2 3.38Å; F199-I258 HydrophobicContact CD1-CD1 4.02Å; F199-I258 HydrophobicContact CD1-CG1 4.48Å; F199-I258 HydrophobicContact CE1-CD1 3.76Å; F199-I258 HydrophobicContact CE1-CG1 3.9Å
200I78.7Confident80Confident15 Ų1557.6 Ų57.68%0.07733%0.33CS..  trans-89.183.6-171.5-54.7168.2000109.8L176 N177 D197 I205L176-I200 HydrophobicContact CB-CD1 3.86Å; L176-I200 HydrophobicContact CD1-CD1 4.49Å; L176-I200 HydrophobicContact CD1-CG2 3.93Å; N177-I200 WeakPolarHBondContact OD1-CD1 3.34Å; D197-I200 PolarHBondContact O-N 3.35Å; I200-I205 HydrophobicContact CG2-CD1 3.76Å; I200-I205 HydrophobicContact CG2-CG1 3.67Å
201S84.1Confident81Confident54 Ų5458.2 Ų58.238%0.37832%0.318SS..  trans-75.2156.917271.80000112.5F199 H203 I204 I205F199-S201 PolarHBondContact O-N 3.07Å; F199-S201 VanDerWaalsContact O-N 3.11Å; S201-H203 PolarHBondContact O-N 3.45Å; S201-I204 PolarHBondContact O-N 3.39Å; S201-I204 VanDerWaalsContact O-N 3.12Å; S201-I204 PolarHBondContact OG-N 3.32Å; S201-I205 PolarHBondContact O-N 2.89Å
202E86.3Confident81.8Confident79 Ų7954.6 Ų54.637%0.36930%0.303SS..Hα-helixtrans-56.7-30.4173.1-72.6-65160.400112.7H169 R173 I205 E206H169-E202 IonicContact CE1-OE2 2.64Å; H169-E202 IonicContact CG-OE2 2.72Å; H169-E202 IonicContact ND1-OE2 3.78Å; H169-E202 PolarHBondContact ND1-OE2 2.93Å; R173-E202 IonicContact CZ-OE1 2.75Å; R173-E202 IonicContact NH1-OE1 2.71Å; R173-E202 IonicContact NH2-OE1 3.16Å; R173-E202 PolarHBondContact NH2-OE1 3.36Å; E202-I205 PolarHBondContact O-N 3.24Å; E202-E206 WeakPolarHBondContact O-CB 3.43Å; E202-E206 PolarHBondContact O-N 3.13Å
203H85.1Confident82.7Confident108 Ų10851 Ų5150%0.528%0.284SS..Hα-helixtrans-69.5-38.5178.6-171.746.6000112.2S201 D207 L252S201-H203 PolarHBondContact O-N 3.45Å; H203-D207 VanDerWaalsContact O-CB 3.3Å; H203-D207 WeakPolarHBondContact O-CB 3.35Å; H203-D207 PolarHBondContact O-N 2.81Å; H203-L252 HydrophobicContact CB-CD2 4.31Å; H203-L252 WeakPolarHBondContact CD2-CD2 3.24Å
204I85.9Confident83.7Confident2 Ų252.2 Ų52.21%0.0129%0.286CS..Hα-helixtrans-64.8-43.8174.2-67.6161.8000109.9F199 S201 D207 I208 L249 L252 I258F199-I204 WeakPolarHBondContact O-CD1 3.41Å; S201-I204 PolarHBondContact O-N 3.39Å; S201-I204 VanDerWaalsContact O-N 3.12Å; S201-I204 PolarHBondContact OG-N 3.32Å; I204-D207 PolarHBondContact O-N 3.35Å; I204-I208 HydrophobicContact CG2-CD1 3.76Å; I204-I208 HydrophobicContact CG2-CG1 4.34Å; I204-I208 VanDerWaalsContact O-CG1 3.29Å; I204-I208 WeakPolarHBondContact O-CG1 3.25Å; I204-I208 PolarHBondContact O-N 3.18Å; I204-L249 HydrophobicContact CG1-CD2 4.17Å; I204-L249 HydrophobicContact CG2-CD2 4.05Å; I204-L252 HydrophobicContact CB-CD2 4.2Å; I204-L252 HydrophobicContact CG1-CD2 3.36Å; I204-I258 HydrophobicContact CG2-CD1 4.46Å
205I90.1Very high84.6Confident0 Ų047.3 Ų47.30%025%0.254CS..Hα-helixtrans-62.4-46.8178.8-65173.2000110.9H169 I172 R173 I200 S201 E202 D207 I208 K209H169-I205 HydrophobicContact CB-CG2 3.74Å; H169-I205 VanDerWaalsContact CG-CG2 3.48Å; I172-I205 HydrophobicContact CB-CG2 4.04Å; I172-I205 HydrophobicContact CD1-CG2 4.15Å; I172-I205 HydrophobicContact CG2-CG1 4.35Å; I172-I205 HydrophobicContact CG2-CG2 3.89Å; R173-I205 HydrophobicContact CB-CD1 4.18Å; I200-I205 HydrophobicContact CG2-CD1 3.76Å; I200-I205 HydrophobicContact CG2-CG1 3.67Å; S201-I205 PolarHBondContact O-N 2.89Å; E202-I205 PolarHBondContact O-N 3.24Å; I205-D207 VanDerWaalsContact C-N 3.29Å; I205-D207 PolarHBondContact O-N 3.11Å; I205-I208 PolarHBondContact O-N 3.12Å; I205-K209 WeakPolarHBondContact O-CB 3.3Å; I205-K209 PolarHBondContact O-N 3.44Å
206E90.5Very high85.5Confident33 Ų3346.7 Ų46.715%0.15425%0.249CC..Hα-helixtrans-58.2-44.1176.4-176.165.7-149.600111H169 E202 K209 V210H169-E206 IonicContact CE1-OE2 2.74Å; H169-E206 PolarHBondContact CE1-OE2 2.74Å; H169-E206 IonicContact NE2-OE2 3.75Å; H169-E206 PolarHBondContact NE2-OE2 3.32Å; E202-E206 WeakPolarHBondContact O-CB 3.43Å; E202-E206 PolarHBondContact O-N 3.13Å; E206-K209 WeakPolarHBondContact O-CB 3.49Å; E206-K209 PolarHBondContact O-N 3.49Å; E206-K209 WeakPolarHBondContact OE1-CE 3.44Å; E206-K209 IonicContact OE1-NZ 3.65Å; E206-K209 PolarHBondContact OE1-NZ 3.08Å; E206-K209 IonicContact OE2-NZ 3.38Å; E206-K209 PolarHBondContact OE2-NZ 3.08Å; E206-V210 VanDerWaalsContact O-CG2 3.3Å; E206-V210 WeakPolarHBondContact O-CG2 3.34Å; E206-V210 PolarHBondContact O-N 3.5Å
207D89Confident86.5Confident31 Ų3146.3 Ų46.317%0.16625%0.247CC..Hα-helixtrans-69.1-38.4-179.1-175.149.3000112.4H203 I204 I205 V210 R211 F247 L252H203-D207 VanDerWaalsContact O-CB 3.3Å; H203-D207 WeakPolarHBondContact O-CB 3.35Å; H203-D207 PolarHBondContact O-N 2.81Å; I204-D207 PolarHBondContact O-N 3.35Å; I205-D207 VanDerWaalsContact C-N 3.29Å; I205-D207 PolarHBondContact O-N 3.11Å; D207-V210 PolarHBondContact O-N 2.92Å; D207-R211 VanDerWaalsContact CG-NE 3.26Å; D207-R211 VanDerWaalsContact O-CB 3.3Å; D207-R211 WeakPolarHBondContact O-CB 3.36Å; D207-R211 WeakPolarHBondContact O-CG 3.45Å; D207-R211 PolarHBondContact O-N 3.4Å; D207-R211 IonicContact OD1-CZ 3.53Å; D207-R211 IonicContact OD1-NE 3.69Å; D207-R211 PolarHBondContact OD1-NE 3.42Å; D207-R211 IonicContact OD2-CZ 2.96Å; D207-R211 IonicContact OD2-NE 2.99Å; D207-R211 PolarHBondContact OD2-NE 2.85Å; D207-R211 IonicContact OD2-NH2 3.9Å; D207-R211 PolarHBondContact OD2-NH2 2.81Å; D207-F247 HydrophobicContact CB-CZ 4.44Å; D207-F247 VanDerWaalsContact OD2-CZ 3.27Å; D207-F247 WeakPolarHBondContact OD2-CZ 3.41Å; D207-L252 HydrophobicContact CB-CD1 4.43Å; D207-L252 WeakPolarHBondContact OD2-CD1 3.47Å
208I89.1Confident87.4Confident0 Ų044.4 Ų44.40%023%0.234CC..Hα-helixtrans-60.9-47.1171.1-71169.2000110.2I172 L176 I204 I205 V210 R211 T212 F247I172-I208 HydrophobicContact CG2-CG2 4.39Å; L176-I208 HydrophobicContact CD1-CD1 3.85Å; L176-I208 HydrophobicContact CD2-CD1 4.24Å; I204-I208 HydrophobicContact CG2-CD1 3.76Å; I204-I208 HydrophobicContact CG2-CG1 4.34Å; I204-I208 VanDerWaalsContact O-CG1 3.29Å; I204-I208 WeakPolarHBondContact O-CG1 3.25Å; I204-I208 PolarHBondContact O-N 3.18Å; I205-I208 PolarHBondContact O-N 3.12Å; I208-V210 PolarHBondContact O-N 3.42Å; I208-R211 PolarHBondContact O-N 2.91Å; I208-T212 WeakPolarHBondContact O-CB 3.38Å; I208-T212 PolarHBondContact O-N 3.38Å; I208-T212 PolarHBondContact O-OG1 2.92Å; I208-F247 HydrophobicContact CB-CE2 4.47Å; I208-F247 HydrophobicContact CB-CZ 4.17Å; I208-F247 HydrophobicContact CD1-CD1 4.39Å; I208-F247 HydrophobicContact CD1-CE1 4.28Å; I208-F247 HydrophobicContact CG1-CD1 3.88Å; I208-F247 HydrophobicContact CG1-CD2 4.26Å; I208-F247 HydrophobicContact CG1-CE1 3.45Å; I208-F247 VanDerWaalsContact CG1-CE1 3.45Å; I208-F247 HydrophobicContact CG1-CE2 3.86Å; I208-F247 HydrophobicContact CG1-CG 4.24Å; I208-F247 HydrophobicContact CG1-CZ 3.4Å
209K92.5Very high88.6Confident13 Ų1343.7 Ų43.76%0.05722%0.222CC..Hα-helixtrans-56.9-52.7178.5-177.8-170.571.6-168.90110.9S165 I168 H169 I172 I205 E206 C213S165-K209 PolarHBondContact OG-NZ 2.84Å; I168-K209 HydrophobicContact CG2-CD 4.21Å; I168-K209 HydrophobicContact CG2-CG 4.26Å; H169-K209 PolarHBondContact NE2-NZ 3.47Å; H169-K209 VanDerWaalsContact NE2-NZ 3.13Å; I172-K209 HydrophobicContact CD1-CB 3.85Å; I172-K209 HydrophobicContact CD1-CG 4.4Å; I205-K209 WeakPolarHBondContact O-CB 3.3Å; I205-K209 PolarHBondContact O-N 3.44Å; E206-K209 WeakPolarHBondContact O-CB 3.49Å; E206-K209 PolarHBondContact O-N 3.49Å; E206-K209 WeakPolarHBondContact OE1-CE 3.44Å; E206-K209 IonicContact OE1-NZ 3.65Å; E206-K209 PolarHBondContact OE1-NZ 3.08Å; E206-K209 IonicContact OE2-NZ 3.38Å; E206-K209 PolarHBondContact OE2-NZ 3.08Å; K209-C213 WeakPolarHBondContact O-CB 3.2Å; K209-C213 PolarHBondContact O-N 3.13Å; K209-C213 VanDerWaalsContact O-N 3.15Å
210V91Very high89.6Confident102 Ų10244.4 Ų44.462%0.61822%0.224SC*.Hα-helixtrans-65.9-40.1-176.7172.50000112.1E206 D207 I208E206-V210 VanDerWaalsContact O-CG2 3.3Å; E206-V210 WeakPolarHBondContact O-CG2 3.34Å; E206-V210 PolarHBondContact O-N 3.5Å; D207-V210 PolarHBondContact O-N 2.92Å; I208-V210 PolarHBondContact O-N 3.42Å
211R88.9Confident90Very high100 Ų10043.8 Ų43.838%0.37722%0.221SC..Hα-helixtrans-84.5-25.3-175.2-67.6-161.9-79.4152.9-12.2114.5D207 I208 F247 P248D207-R211 VanDerWaalsContact CG-NE 3.26Å; D207-R211 VanDerWaalsContact O-CB 3.3Å; D207-R211 WeakPolarHBondContact O-CB 3.36Å; D207-R211 WeakPolarHBondContact O-CG 3.45Å; D207-R211 PolarHBondContact O-N 3.4Å; D207-R211 IonicContact OD1-CZ 3.53Å; D207-R211 IonicContact OD1-NE 3.69Å; D207-R211 PolarHBondContact OD1-NE 3.42Å; D207-R211 IonicContact OD2-CZ 2.96Å; D207-R211 IonicContact OD2-NE 2.99Å; D207-R211 PolarHBondContact OD2-NE 2.85Å; D207-R211 IonicContact OD2-NH2 3.9Å; D207-R211 PolarHBondContact OD2-NH2 2.81Å; I208-R211 PolarHBondContact O-N 2.91Å; R211-F247 HydrophobicContact CB-CE2 4.26Å; R211-P248 PolarHBondContact NH2-O 2.88Å
212T88.9Confident90.2Very high17 Ų1744.9 Ų44.910%0.10423%0.225CC..Hα-helixtrans-128.2-28.2-165.575.70000115.4I208 F245 F247 R265I208-T212 WeakPolarHBondContact O-CB 3.38Å; I208-T212 PolarHBondContact O-N 3.38Å; I208-T212 PolarHBondContact O-OG1 2.92Å; T212-F245 HydrophobicContact CG2-CE2 3.85Å; T212-F245 HydrophobicContact CG2-CZ 4.01Å; T212-F247 HydrophobicContact CG2-CD2 4.11Å; T212-F247 HydrophobicContact CG2-CE2 3.89Å; T212-R265 WeakPolarHBondContact O-CB 3.3Å; T212-R265 WeakPolarHBondContact O-CG 3.4Å
213C93.1Very high90.4Very high5 Ų545.8 Ų45.83%0.03423%0.229CC..  trans-80.8142.9-174.3-66.60000111.8K209 R265 V269 L314K209-C213 WeakPolarHBondContact O-CB 3.2Å; K209-C213 PolarHBondContact O-N 3.13Å; K209-C213 VanDerWaalsContact O-N 3.15Å; C213-R265 VanDerWaalsContact CA-O 3.3Å; C213-R265 WeakPolarHBondContact CA-O 3.31Å; C213-V269 HydrophobicContact CB-CG2 3.96Å; C213-L314 HydrophobicContact CB-CD2 4.3Å
214F94.1Very high90.5Very high72 Ų7240.8 Ų40.832%0.31621%0.206SC..  trans-149.3158.9174.761.1-89.1000110.1R265 E266 P315F214-R265 HydrophobicContact CD1-CB 4.13Å; F214-R265 HydrophobicContact CE1-CB 3.72Å; F214-R265 PolarHBondContact N-O 2.79Å; F214-R265 VanDerWaalsContact O-O 3.11Å; F214-E266 HydrophobicContact CD2-CG 4.29Å; F214-E266 HydrophobicContact CE1-CG 4.17Å; F214-E266 HydrophobicContact CE2-CG 3.49Å; F214-E266 VanDerWaalsContact CE2-CG 3.49Å; F214-E266 HydrophobicContact CZ-CG 3.41Å; F214-E266 VanDerWaalsContact CZ-CG 3.41Å; F214-P315 HydrophobicContact CB-CB 4.13Å; F214-P315 HydrophobicContact CB-CG 4.42Å
215V94.4Very high90.5Very high9 Ų945.9 Ų45.96%0.05523%0.228CC..PPolyproline II helixtrans-89.7120.6178.8-173.40000109.1V269 F273 L314 P315 F317 R320V215-V269 HydrophobicContact CG2-CG1 3.78Å; V215-F273 HydrophobicContact CG1-CD2 4.38Å; V215-F273 HydrophobicContact CG1-CE2 3.73Å; V215-F273 HydrophobicContact CG1-CZ 4.31Å; V215-L314 HydrophobicContact CG2-CB 4.03Å; V215-P315 PolarHBondContact N-O 2.97Å; V215-F317 HydrophobicContact CG2-CB 4.01Å; V215-F317 HydrophobicContact CG2-CD2 4.12Å; V215-R320 HydrophobicContact CG1-CB 3.45Å; V215-R320 VanDerWaalsContact CG1-CB 3.45Å; V215-R320 HydrophobicContact CG1-CG 3.57Å
216S92.8Very high90.3Very high1 Ų148.2 Ų48.21%0.00725%0.247CC..PPolyproline II helixtrans-80.2150.4176.159.80000111.6E266 R320S216-E266 WeakPolarHBondContact CB-OE2 3.39Å; S216-R320 WeakPolarHBondContact O-CD 3.46Å; S216-R320 PolarHBondContact O-NH1 3.14Å; S216-R320 VanDerWaalsContact O-NH1 3.12Å
217P93.1Very high90.1Very high56 Ų5649.9 Ų49.936%0.36425%0.252SS..PPolyproline II helixtrans-61.7158174.9-19.531.6000112N219 R220 A221P217-N219 VanDerWaalsContact C-N 3.33Å; P217-N219 PolarHBondContact O-N 2.93Å; P217-R220 PolarHBondContact O-N 2.8Å; P217-A221 PolarHBondContact O-N 3.28Å; P217-A221 VanDerWaalsContact O-N 3.08Å
218H91Very high89.8Confident68 Ų6854.3 Ų54.332%0.31527%0.27SS..Hα-helixtrans-56.8-43.5-171.4178.781.2000113.1R220 A221 V222 E323 E324H218-R220 VanDerWaalsContact C-N 3.25Å; H218-R220 PolarHBondContact O-N 3.11Å; H218-A221 WeakPolarHBondContact O-CB 3.2Å; H218-A221 PolarHBondContact O-N 3.18Å; H218-V222 WeakPolarHBondContact O-CG2 3.35Å; H218-V222 PolarHBondContact O-N 2.89Å; H218-E323 HydrophobicContact CB-CB 4.48Å; H218-E323 WeakPolarHBondContact CB-OE2 3.17Å; H218-E323 PolarHBondContact N-OE2 2.87Å; H218-E324 IonicContact CE1-OE1 3.84Å; H218-E324 IonicContact CE1-OE2 2.74Å; H218-E324 IonicContact CG-OE1 2.72Å; H218-E324 VanDerWaalsContact ND1-CD 3.27Å; H218-E324 IonicContact ND1-OE1 2.72Å; H218-E324 PolarHBondContact ND1-OE1 2.99Å; H218-E324 IonicContact ND1-OE2 3.46Å; H218-E324 PolarHBondContact ND1-OE2 3.24Å
219N91.3Very high89.5Confident107 Ų10759.8 Ų59.857%0.57230%0.3SS*.Hα-helixtrans-58.7-36.3179.464.5-16.1000113.1P217 Q223P217-N219 VanDerWaalsContact C-N 3.33Å; P217-N219 PolarHBondContact O-N 2.93Å; N219-Q223 WeakPolarHBondContact O-CG 3.46Å; N219-Q223 PolarHBondContact O-N 2.82Å
220R90.8Very high88.9Confident61 Ų6160.7 Ų60.723%0.2331%0.307CS..Hα-helixtrans-77.2-38.2179.5-174.4168.4176.489.9-0.4111P217 H218 V222 Q223 W224 N239 E266P217-R220 PolarHBondContact O-N 2.8Å; H218-R220 VanDerWaalsContact C-N 3.25Å; H218-R220 PolarHBondContact O-N 3.11Å; R220-V222 VanDerWaalsContact C-N 3.32Å; R220-V222 PolarHBondContact O-N 3.22Å; R220-Q223 WeakPolarHBondContact O-CB 3.39Å; R220-Q223 PolarHBondContact O-N 3.25Å; R220-W224 VanDerWaalsContact O-CD1 3.26Å; R220-W224 PolarHBondContact O-N 3.05Å; R220-N239 PolarHBondContact NH1-O 3.46Å; R220-N239 PolarHBondContact NH2-O 3.03Å; R220-E266 VanDerWaalsContact CD-OE2 3.25Å; R220-E266 WeakPolarHBondContact CD-OE2 3.49Å; R220-E266 IonicContact CZ-OE1 3.57Å; R220-E266 VanDerWaalsContact CZ-OE1 3.3Å; R220-E266 IonicContact CZ-OE2 3.81Å; R220-E266 IonicContact NE-OE1 3.97Å; R220-E266 PolarHBondContact NE-OE1 2.84Å; R220-E266 IonicContact NE-OE2 2.77Å; R220-E266 PolarHBondContact NE-OE2 3.43Å; R220-E266 IonicContact NH2-OE1 3.43Å; R220-E266 PolarHBondContact NH2-OE1 3.05Å; R220-E266 IonicContact NH2-OE2 3.64Å
221A88.9Confident87.6Confident2 Ų260.6 Ų60.62%0.01732%0.317CS..Hα-helixtrans-60.3-40173.100000112.7P217 H218 Q223 W224 K225 E270 R320P217-A221 PolarHBondContact O-N 3.28Å; P217-A221 VanDerWaalsContact O-N 3.08Å; H218-A221 WeakPolarHBondContact O-CB 3.2Å; H218-A221 PolarHBondContact O-N 3.18Å; A221-Q223 VanDerWaalsContact C-N 3.34Å; A221-Q223 PolarHBondContact O-N 3.37Å; A221-W224 WeakPolarHBondContact O-CB 3.24Å; A221-W224 PolarHBondContact O-N 2.98Å; A221-K225 PolarHBondContact O-N 3.07Å; A221-E270 WeakPolarHBondContact CB-OE2 3.41Å; A221-R320 VanDerWaalsContact CB-NH1 3.34Å
222V88.5Confident86.1Confident76 Ų7664 Ų6446%0.46134%0.338SS..Hα-helixtrans-62.6-39.7175.11740000111.8H218 R220 K225 A226H218-V222 WeakPolarHBondContact O-CG2 3.35Å; H218-V222 PolarHBondContact O-N 2.89Å; R220-V222 VanDerWaalsContact C-N 3.32Å; R220-V222 PolarHBondContact O-N 3.22Å; V222-K225 PolarHBondContact O-N 2.82Å; V222-A226 WeakPolarHBondContact O-CB 3.46Å; V222-A226 PolarHBondContact O-N 3.47Å
223Q88.7Confident84.6Confident98 Ų9868.4 Ų68.446%0.45837%0.369SS..Hα-helixtrans-64.7-41.8175.3-65.517212.500111.6N219 R220 A221 A226 W227 P238N219-Q223 WeakPolarHBondContact O-CG 3.46Å; N219-Q223 PolarHBondContact O-N 2.82Å; R220-Q223 WeakPolarHBondContact O-CB 3.39Å; R220-Q223 PolarHBondContact O-N 3.25Å; A221-Q223 VanDerWaalsContact C-N 3.34Å; A221-Q223 PolarHBondContact O-N 3.37Å; Q223-A226 PolarHBondContact O-N 3.44Å; Q223-W227 WeakPolarHBondContact O-CB 3.4Å; Q223-W227 PolarHBondContact O-N 2.9Å; Q223-P238 HydrophobicContact CB-CG 3.86Å
224W87.2Confident83.1Confident3 Ų373.8 Ų73.81%0.01141%0.407CS..Hα-helixtrans-60.8-43.6174.3-83.3122000112.7R220 A221 W227 K228 K237 P238 L240 D263 E266 L267R220-W224 VanDerWaalsContact O-CD1 3.26Å; R220-W224 PolarHBondContact O-N 3.05Å; A221-W224 WeakPolarHBondContact O-CB 3.24Å; A221-W224 PolarHBondContact O-N 2.98Å; W224-W227 HydrophobicContact CE3-CD2 4.47Å; W224-W227 AromaticContact CE3-CE3 3.78Å; W224-W227 HydrophobicContact CE3-CE3 3.78Å; W224-W227 HydrophobicContact CE3-CZ3 4.26Å; W224-W227 HydrophobicContact CZ3-CD2 4.37Å; W224-W227 AromaticContact CZ3-CE3 3.8Å; W224-W227 HydrophobicContact CZ3-CE3 3.8Å; W224-W227 AromaticContact CZ3-CZ3 3.97Å; W224-W227 HydrophobicContact CZ3-CZ3 3.97Å; W224-W227 PolarHBondContact O-N 3.4Å; W224-K228 WeakPolarHBondContact O-CB 3.39Å; W224-K228 PolarHBondContact O-N 3.48Å; W224-K237 HydrophobicContact CH2-CG 4.3Å; W224-K237 HydrophobicContact CZ3-CG 4.12Å; W224-P238 HydrophobicContact CD2-CB 4.4Å; W224-P238 HydrophobicContact CD2-CG 3.68Å; W224-P238 HydrophobicContact CE3-CG 4.02Å; W224-P238 HydrophobicContact CG-CG 4.03Å; W224-P238 HydrophobicContact CH2-CB 4.44Å; W224-P238 HydrophobicContact CH2-CG 4.39Å; W224-P238 HydrophobicContact CZ2-CB 3.95Å; W224-P238 HydrophobicContact CZ2-CG 4.08Å; W224-P238 HydrophobicContact CZ3-CG 4.37Å; W224-L240 HydrophobicContact CH2-CD1 4.21Å; W224-L240 HydrophobicContact CH2-CD2 4.12Å; W224-L240 HydrophobicContact CH2-CG 4.28Å; W224-L240 HydrophobicContact CZ2-CD2 3.89Å; W224-L240 HydrophobicContact CZ2-CG 4.43Å; W224-D263 HydrophobicContact CH2-CB 3.69Å; W224-D263 HydrophobicContact CZ2-CB 4.43Å; W224-D263 HydrophobicContact CZ3-CB 3.93Å; W224-E266 PolarHBondContact NE1-OE2 3.36Å; W224-L267 HydrophobicContact CB-CD2 3.68Å; W224-L267 HydrophobicContact CD2-CD2 3.87Å; W224-L267 HydrophobicContact CD2-CG 4.28Å; W224-L267 HydrophobicContact CE3-CD1 4.11Å; W224-L267 HydrophobicContact CE3-CD2 3.93Å; W224-L267 HydrophobicContact CE3-CG 4.19Å; W224-L267 HydrophobicContact CG-CD2 3.78Å; W224-L267 HydrophobicContact CZ3-CD1 4.32Å
225K85.8Confident81.9Confident109 Ų10971.7 Ų71.747%0.47440%0.402SS..Hα-helixtrans-61.6-48.6175.9-174.4171-177.7170.90111.1A221 V222 W227 K228 D229A221-K225 PolarHBondContact O-N 3.07Å; V222-K225 PolarHBondContact O-N 2.82Å; K225-W227 VanDerWaalsContact C-N 3.29Å; K225-W227 PolarHBondContact O-N 2.74Å; K225-K228 PolarHBondContact O-N 2.89Å; K225-D229 WeakPolarHBondContact CG-OD2 3.49Å; K225-D229 WeakPolarHBondContact O-CB 3.2Å; K225-D229 VanDerWaalsContact O-CG 3.3Å; K225-D229 PolarHBondContact O-N 2.74Å
226A87.3Confident80.9Confident49 Ų4975.6 Ų75.641%0.40544%0.436SS..Hα-helixtrans-59.2-38.6176.800000112.7V222 Q223 S230V222-A226 WeakPolarHBondContact O-CB 3.46Å; V222-A226 PolarHBondContact O-N 3.47Å; Q223-A226 PolarHBondContact O-N 3.44Å; A226-S230 VanDerWaalsContact O-CB 3.32Å; A226-S230 WeakPolarHBondContact O-CB 3.39Å; A226-S230 PolarHBondContact O-N 3.41Å; A226-S230 VanDerWaalsContact O-N 3.12Å; A226-S230 PolarHBondContact O-OG 2.91Å
227W85.7Confident80.3Confident68 Ų6879.4 Ų79.426%0.25845%0.452SS..Hα-helixtrans-67.9-44.8174.9177.675.4000112.4Q223 W224 K225 S230 K237 L267Q223-W227 WeakPolarHBondContact O-CB 3.4Å; Q223-W227 PolarHBondContact O-N 2.9Å; W224-W227 HydrophobicContact CE3-CD2 4.47Å; W224-W227 AromaticContact CE3-CE3 3.78Å; W224-W227 HydrophobicContact CE3-CE3 3.78Å; W224-W227 HydrophobicContact CE3-CZ3 4.26Å; W224-W227 HydrophobicContact CZ3-CD2 4.37Å; W224-W227 AromaticContact CZ3-CE3 3.8Å; W224-W227 HydrophobicContact CZ3-CE3 3.8Å; W224-W227 AromaticContact CZ3-CZ3 3.97Å; W224-W227 HydrophobicContact CZ3-CZ3 3.97Å; W224-W227 PolarHBondContact O-N 3.4Å; K225-W227 VanDerWaalsContact C-N 3.29Å; K225-W227 PolarHBondContact O-N 2.74Å; W227-S230 PolarHBondContact O-N 3.48Å; W227-S230 PolarHBondContact O-OG 3.46Å; W227-K237 HydrophobicContact CD2-CG 4.27Å; W227-K237 HydrophobicContact CG-CB 4.37Å; W227-K237 HydrophobicContact CG-CG 4.46Å; W227-K237 HydrophobicContact CZ2-CD 3.96Å; W227-K237 HydrophobicContact CZ2-CG 4.36Å; W227-L267 HydrophobicContact CZ3-CD1 4.39Å
228K82.5Confident79.7Confident125 Ų12577 Ų7754%0.54344%0.436SS..Hα-helixtrans-66.7-37.6-179.6-168.6176.6180173.10112.6Y175 W224 K225 S230Y175-K228 PolarHBondContact OH-NZ 3Å; W224-K228 WeakPolarHBondContact O-CB 3.39Å; W224-K228 PolarHBondContact O-N 3.48Å; K225-K228 PolarHBondContact O-N 2.89Å; K228-S230 VanDerWaalsContact C-N 3.31Å
229D82.4Confident79.2Confident115 Ų11580.7 Ų80.762%0.61546%0.459SS*.Hα-helixtrans-76.8-20.9177.5-65.1-17.3000111.7K225 A231K225-D229 WeakPolarHBondContact CG-OD2 3.49Å; K225-D229 WeakPolarHBondContact O-CB 3.2Å; K225-D229 VanDerWaalsContact O-CG 3.3Å; K225-D229 PolarHBondContact O-N 2.74Å; D229-A231 PolarHBondContact O-N 2.89Å; D229-A231 VanDerWaalsContact O-N 3.13Å
230S80.9Confident78.6Confident31 Ų3177.5 Ų77.522%0.21744%0.442CS..  trans-75102.8174.575.80000110.5A226 W227 K228 E232A226-S230 VanDerWaalsContact O-CB 3.32Å; A226-S230 WeakPolarHBondContact O-CB 3.39Å; A226-S230 PolarHBondContact O-N 3.41Å; A226-S230 VanDerWaalsContact O-N 3.12Å; A226-S230 PolarHBondContact O-OG 2.91Å; W227-S230 PolarHBondContact O-N 3.48Å; W227-S230 PolarHBondContact O-OG 3.46Å; K228-S230 VanDerWaalsContact C-N 3.31Å; S230-E232 PolarHBondContact O-N 2.87Å
231A63.5Low77.7Confident101 Ų10185.1 Ų85.184%0.83547%0.472SS*.THydrogen-bonded Turntrans-59.4-27.6179.500000113.4D229D229-A231 PolarHBondContact O-N 2.89Å; D229-A231 VanDerWaalsContact O-N 3.13Å
232E56.7Low77.1Confident171 Ų17189.6 Ų89.680%0.79949%0.492SS*.THydrogen-bonded Turntrans-143.456.5-166.7-66.7176167.700112.6S230 S234S230-E232 PolarHBondContact O-N 2.87Å; E232-S234 PolarHBondContact O-N 3.48Å
233S58.2Low76.7Confident109 Ų10993.2 Ų93.276%0.76250%0.504SS*.SBendtrans62.414.3159.8-142.30000117.4
234S61.5Low76.2Confident119 Ų11991.1 Ų91.183%0.83250%0.498SS*.  trans-73.2-28.4178.5-66.80000112.8E232E232-S234 PolarHBondContact O-N 3.48Å
235A69Low76Confident27 Ų2791.8 Ų91.822%0.22350%0.501CS..SBendtrans-92.7133.317800000110.8K237A235-K237 PolarHBondContact O-N 3.37Å
236A74Confident75.8Confident91 Ų9191.7 Ų91.775%0.75251%0.505SS*.PPolyproline II helixtrans-65.1122.4177.400000110.5
237K78.9Confident75.5Confident81 Ų8189.5 Ų89.535%0.35249%0.486SS..PPolyproline II helixtrans-59.9133.2172.3-171.5175-176.7171.50109W224 W227 A235 N239 D263W224-K237 HydrophobicContact CH2-CG 4.3Å; W224-K237 HydrophobicContact CZ3-CG 4.12Å; W227-K237 HydrophobicContact CD2-CG 4.27Å; W227-K237 HydrophobicContact CG-CB 4.37Å; W227-K237 HydrophobicContact CG-CG 4.46Å; W227-K237 HydrophobicContact CZ2-CD 3.96Å; W227-K237 HydrophobicContact CZ2-CG 4.36Å; A235-K237 PolarHBondContact O-N 3.37Å; K237-N239 PolarHBondContact O-N 3.28Å; K237-D263 IonicContact NZ-OD2 3.15Å
238P80.6Confident75.3Confident5 Ų589 Ų893%0.03249%0.491CS..PPolyproline II helixtrans-55.5138.4174.8-27.236.4000111.3Q223 W224 L240Q223-P238 HydrophobicContact CB-CG 3.86Å; W224-P238 HydrophobicContact CD2-CB 4.4Å; W224-P238 HydrophobicContact CD2-CG 3.68Å; W224-P238 HydrophobicContact CE3-CG 4.02Å; W224-P238 HydrophobicContact CG-CG 4.03Å; W224-P238 HydrophobicContact CH2-CB 4.44Å; W224-P238 HydrophobicContact CH2-CG 4.39Å; W224-P238 HydrophobicContact CZ2-CB 3.95Å; W224-P238 HydrophobicContact CZ2-CG 4.08Å; W224-P238 HydrophobicContact CZ3-CG 4.37Å; P238-L240 PolarHBondContact O-N 3.09Å
239N81Confident74.9Confident146 Ų14683 Ų8378%0.78147%0.465SS*.PPolyproline II helixtrans-59.6127.7178.5-69.4-14.7000110R220 K237R220-N239 PolarHBondContact NH1-O 3.46Å; R220-N239 PolarHBondContact NH2-O 3.03Å; K237-N239 PolarHBondContact O-N 3.28Å
240L79Confident74.1Confident41 Ų4183.1 Ų83.122%0.21547%0.466CS..  trans-107.8140174.8-70.3169000108.6W224 P238 Q242W224-L240 HydrophobicContact CH2-CD1 4.21Å; W224-L240 HydrophobicContact CH2-CD2 4.12Å; W224-L240 HydrophobicContact CH2-CG 4.28Å; W224-L240 HydrophobicContact CZ2-CD2 3.89Å; W224-L240 HydrophobicContact CZ2-CG 4.43Å; P238-L240 PolarHBondContact O-N 3.09Å; L240-Q242 VanDerWaalsContact C-N 3.27Å; L240-Q242 PolarHBondContact O-N 3.08Å
241Y70.8Confident73.3Confident221 Ų22190.3 Ų90.387%0.86749%0.493SS*.SBendtrans-61.5-39.5174.1175.5-104000111.7
242Q77.6Confident73.2Confident96 Ų9687.3 Ų87.345%0.44946%0.463SS..  trans-141.3137.5174.2-75.3172.5-14.500107.9L240 S262L240-Q242 VanDerWaalsContact C-N 3.27Å; L240-Q242 PolarHBondContact O-N 3.08Å; Q242-S262 WeakPolarHBondContact O-CB 3.45Å; Q242-S262 PolarHBondContact O-OG 3.15Å
243E79.4Confident73.4Confident152 Ų15282.2 Ų82.271%0.7146%0.456SS*.SBendtrans-69.7-37.1178.7-65.9-168.9161.800112.4T261 S262E243-T261 WeakPolarHBondContact O-CA 3.34Å; E243-S262 PolarHBondContact O-N 2.97Å
244T79.3Confident73.6Confident54 Ų5479.5 Ų79.533%0.33143%0.433SS..EExtended strand (participates in β ladder)trans-136.2155.7178.560.30000110.1Q259 V260 T261T244-Q259 HydrophobicContact CG2-CG 4.38Å; T244-Q259 PolarHBondContact OG1-NE2 3.29Å; T244-V260 CarbonylContact C-O 3.51Å; T244-V260 VanDerWaalsContact CA-O 3.22Å; T244-V260 WeakPolarHBondContact CA-O 3.48Å; T244-V260 WeakPolarHBondContact CB-O 3.15Å; T244-T261 HydrophobicContact CG2-CG2 4.21Å
245F82.3Confident73.8Confident17 Ų1782.5 Ų82.58%0.07543%0.434CS..EExtended strand (participates in β ladder)trans-135.6150.9173.165.4-84000109.7T212 F247 Q259 V260 I264 R265T212-F245 HydrophobicContact CG2-CE2 3.85Å; T212-F245 HydrophobicContact CG2-CZ 4.01Å; F245-F247 HydrophobicContact CD2-CB 4.47Å; F245-F247 HydrophobicContact CE2-CB 4.15Å; F245-F247 HydrophobicContact CE2-CD2 4.01Å; F245-Q259 WeakPolarHBondContact O-CA 3.24Å; F245-V260 WeakPolarHBondContact CD1-O 3.13Å; F245-V260 HydrophobicContact CE1-CB 3.95Å; F245-V260 HydrophobicContact CE1-CG1 4.2Å; F245-V260 HydrophobicContact CE2-CB 4.27Å; F245-V260 HydrophobicContact CZ-CB 3.82Å; F245-V260 HydrophobicContact CZ-CG1 4.13Å; F245-V260 PolarHBondContact N-O 3.48Å; F245-V260 PolarHBondContact O-N 3.4Å; F245-I264 HydrophobicContact CE1-CG2 4.35Å; F245-I264 HydrophobicContact CZ-CG2 4.47Å; F245-R265 HydrophobicContact CE1-CG 4.19Å
246I82Confident74.2Confident106 Ų10687.7 Ų87.754%0.54445%0.448SS..EExtended strand (participates in β ladder)trans-90.5122175.2-58.8177.8000107.6P248 P257I246-P248 WeakPolarHBondContact O-CD 3.35Å; I246-P257 HydrophobicContact CG2-CB 3.54Å; I246-P257 HydrophobicContact CG2-CG 4.02Å
247F80.9Confident74.5Confident4 Ų484.8 Ų84.82%0.01842%0.422CS..EExtended strand (participates in β ladder)trans-95.2108.6176.4-167.8-104.9000109.5D207 I208 R211 T212 F245 L249 P257 I258 V260D207-F247 HydrophobicContact CB-CZ 4.44Å; D207-F247 VanDerWaalsContact OD2-CZ 3.27Å; D207-F247 WeakPolarHBondContact OD2-CZ 3.41Å; I208-F247 HydrophobicContact CB-CE2 4.47Å; I208-F247 HydrophobicContact CB-CZ 4.17Å; I208-F247 HydrophobicContact CD1-CD1 4.39Å; I208-F247 HydrophobicContact CD1-CE1 4.28Å; I208-F247 HydrophobicContact CG1-CD1 3.88Å; I208-F247 HydrophobicContact CG1-CD2 4.26Å; I208-F247 HydrophobicContact CG1-CE1 3.45Å; I208-F247 VanDerWaalsContact CG1-CE1 3.45Å; I208-F247 HydrophobicContact CG1-CE2 3.86Å; I208-F247 HydrophobicContact CG1-CG 4.24Å; I208-F247 HydrophobicContact CG1-CZ 3.4Å; R211-F247 HydrophobicContact CB-CE2 4.26Å; T212-F247 HydrophobicContact CG2-CD2 4.11Å; T212-F247 HydrophobicContact CG2-CE2 3.89Å; F245-F247 HydrophobicContact CD2-CB 4.47Å; F245-F247 HydrophobicContact CE2-CB 4.15Å; F245-F247 HydrophobicContact CE2-CD2 4.01Å; F247-L249 HydrophobicContact CD1-CD2 3.56Å; F247-L249 HydrophobicContact CD1-CG 4.24Å; F247-L249 HydrophobicContact CE1-CD2 3.59Å; F247-L249 PolarHBondContact O-N 3.25Å; F247-P257 WeakPolarHBondContact O-CA 3.37Å; F247-P257 WeakPolarHBondContact O-CB 3.45Å; F247-I258 WeakPolarHBondContact CB-O 3.42Å; F247-I258 PolarHBondContact N-O 3.39Å; F247-I258 PolarHBondContact O-N 3.38Å; F247-I258 VanDerWaalsContact O-N 3.1Å; F247-V260 HydrophobicContact CB-CG2 4.42Å
248P80Confident74.7Confident56 Ų5681 Ų8136%0.36441%0.405SS..  trans-73.2129.3177.729.2-32.5000109.7R211 I246R211-P248 PolarHBondContact NH2-O 2.88Å; I246-P248 WeakPolarHBondContact O-CD 3.35Å
249L74.3Confident74.9Confident0 Ų082.6 Ų82.60%041%0.412CS..  trans-103.69.9179.7-68.8-179.5000113.5F199 I204 F247 K251 L252 G253 N254 I258F199-L249 HydrophobicContact CE1-CD1 3.41Å; F199-L249 VanDerWaalsContact CE1-CD1 3.41Å; F199-L249 HydrophobicContact CZ-CD1 3.69Å; I204-L249 HydrophobicContact CG1-CD2 4.17Å; I204-L249 HydrophobicContact CG2-CD2 4.05Å; F247-L249 HydrophobicContact CD1-CD2 3.56Å; F247-L249 HydrophobicContact CD1-CG 4.24Å; F247-L249 HydrophobicContact CE1-CD2 3.59Å; F247-L249 PolarHBondContact O-N 3.25Å; L249-K251 PolarHBondContact O-N 3.45Å; L249-K251 VanDerWaalsContact O-N 3.08Å; L249-L252 WeakPolarHBondContact O-CA 3.28Å; L249-L252 PolarHBondContact O-N 3.44Å; L249-G253 PolarHBondContact O-N 3.02Å; L249-N254 CarbonylContact C-O 3.24Å; L249-N254 VanDerWaalsContact C-O 3.24Å; L249-N254 HydrophobicContact CB-CB 3.84Å; L249-N254 HydrophobicContact CD1-CB 4.16Å; L249-N254 PolarHBondContact O-N 3.41Å; L249-I258 HydrophobicContact CD1-CD1 3.69Å; L249-I258 HydrophobicContact CD1-CG1 3.73Å; L249-I258 HydrophobicContact CG-CG1 4.47Å
250D66.8Low75.1Confident117 Ų11775.8 Ų75.863%0.62638%0.376SS*.G310 helixtrans-52.8-38.8-175.2-47.2-12.4000112.2L252 G253D250-L252 PolarHBondContact O-N 3.11Å; D250-G253 PolarHBondContact O-N 2.95Å
251K63.4Low75.4Confident183 Ų18375 Ų7580%0.79637%0.373SS*.G310 helixtrans-67.8-20.8179-67.8-170.9177.9-176.70114L249L249-K251 PolarHBondContact O-N 3.45Å; L249-K251 VanDerWaalsContact O-N 3.08Å
252L61.5Low76.1Confident37 Ų3764.9 Ų64.919%0.19433%0.334CS..G310 helixtrans-95.82.7178.2-78.584.5000112.4H203 I204 D207 L249 D250 N254H203-L252 HydrophobicContact CB-CD2 4.31Å; H203-L252 WeakPolarHBondContact CD2-CD2 3.24Å; I204-L252 HydrophobicContact CB-CD2 4.2Å; I204-L252 HydrophobicContact CG1-CD2 3.36Å; D207-L252 HydrophobicContact CB-CD1 4.43Å; D207-L252 WeakPolarHBondContact OD2-CD1 3.47Å; L249-L252 WeakPolarHBondContact O-CA 3.28Å; L249-L252 PolarHBondContact O-N 3.44Å; D250-L252 PolarHBondContact O-N 3.11Å; L252-N254 VanDerWaalsContact C-N 3.32Å
253G60.8Low76.6Confident64 Ų6460.8 Ų60.866%0.6632%0.315SS*.THydrogen-bonded Turntrans81.98-179.300000114.4L249 D250L249-G253 PolarHBondContact O-N 3.02Å; D250-G253 PolarHBondContact O-N 2.95Å
254N63.5Low77Confident53 Ų5353.5 Ų53.528%0.28328%0.281SS..  trans-100.3120.4175-71.1-18.1000109.4F199 L249 L252 R256F199-N254 HydrophobicContact CE2-CB 4.44Å; F199-N254 HydrophobicContact CZ-CB 4.03Å; F199-N254 WeakPolarHBondContact CZ-ND2 3.38Å; L249-N254 CarbonylContact C-O 3.24Å; L249-N254 VanDerWaalsContact C-O 3.24Å; L249-N254 HydrophobicContact CB-CB 3.84Å; L249-N254 HydrophobicContact CD1-CB 4.16Å; L249-N254 PolarHBondContact O-N 3.41Å; L252-N254 VanDerWaalsContact C-N 3.32Å; N254-R256 VanDerWaalsContact C-N 3.25Å; N254-R256 PolarHBondContact O-N 3.14Å
255E65Low77.5Confident182 Ų18254.2 Ų54.285%0.8528%0.278SS*.  trans-76.1-12.1-179.9-63.5-176.9164.300113.4P257E255-P257 WeakPolarHBondContact O-CD 3.42Å
256R76.4Confident77.9Confident136 Ų13653.8 Ų53.851%0.51328%0.276SS..SBendtrans-98.4113.7-175.7-58.9-175.6-169.4-164.310.8110.3D184 N254D184-R256 WeakPolarHBondContact OD1-CD 3.48Å; D184-R256 IonicContact OD1-CZ 2.68Å; D184-R256 IonicContact OD1-NE 3.25Å; D184-R256 IonicContact OD1-NH1 2.83Å; D184-R256 PolarHBondContact OD1-NH1 2.77Å; N254-R256 VanDerWaalsContact C-N 3.25Å; N254-R256 PolarHBondContact O-N 3.14Å
257P81.6Confident78.3Confident30 Ų3049.2 Ų49.220%0.19525%0.253CS..PPolyproline II helixtrans-75.7154.417826.3-24.7000111.3V183 I246 F247 E255V183-P257 HydrophobicContact CB-CG 3.98Å; V183-P257 HydrophobicContact CG1-CG 4.46Å; V183-P257 HydrophobicContact CG2-CG 4.45Å; V183-P257 PolarHBondContact N-O 2.91Å; I246-P257 HydrophobicContact CG2-CB 3.54Å; I246-P257 HydrophobicContact CG2-CG 4.02Å; F247-P257 WeakPolarHBondContact O-CA 3.37Å; F247-P257 WeakPolarHBondContact O-CB 3.45Å; E255-P257 WeakPolarHBondContact O-CD 3.42Å
258I82.1Confident78.9Confident0 Ų049 Ų490%025%0.252CS..EExtended strand (participates in β ladder)trans-103.8129.8177-57.6172.9000108.9A180 L182 F199 I204 F247 L249 V260A180-I258 HydrophobicContact CB-CG2 3.83Å; L182-I258 HydrophobicContact CD2-CG1 3.98Å; F199-I258 HydrophobicContact CD1-CD1 4.02Å; F199-I258 HydrophobicContact CD1-CG1 4.48Å; F199-I258 HydrophobicContact CE1-CD1 3.76Å; F199-I258 HydrophobicContact CE1-CG1 3.9Å; I204-I258 HydrophobicContact CG2-CD1 4.46Å; F247-I258 WeakPolarHBondContact CB-O 3.42Å; F247-I258 PolarHBondContact N-O 3.39Å; F247-I258 PolarHBondContact O-N 3.38Å; F247-I258 VanDerWaalsContact O-N 3.1Å; L249-I258 HydrophobicContact CD1-CD1 3.69Å; L249-I258 HydrophobicContact CD1-CG1 3.73Å; L249-I258 HydrophobicContact CG-CG1 4.47Å; I258-V260 HydrophobicContact CB-CG2 4.32Å; I258-V260 HydrophobicContact CG2-CG2 3.67Å
259Q85Confident79.5Confident40 Ų4046.4 Ų46.419%0.18724%0.235CC..EExtended strand (participates in β ladder)trans-83.3122.9164.6-174.3-179.7-100109.8K181 V183 L192 T244 F245K181-Q259 PolarHBondContact N-O 2.9Å; K181-Q259 VanDerWaalsContact N-O 3.14Å; K181-Q259 PolarHBondContact O-N 3.42Å; V183-Q259 HydrophobicContact CG2-CB 4.17Å; L192-Q259 HydrophobicContact CD2-CB 4.37Å; T244-Q259 HydrophobicContact CG2-CG 4.38Å; T244-Q259 PolarHBondContact OG1-NE2 3.29Å; F245-Q259 WeakPolarHBondContact O-CA 3.24Å
260V85.6Confident80.4Confident3 Ų347.8 Ų47.82%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-122.5145.9-178.4-170.30000109.7L176 T244 F245 F247 I258 I264L176-V260 HydrophobicContact CD2-CB 4.5Å; L176-V260 HydrophobicContact CD2-CG1 3.8Å; L176-V260 HydrophobicContact CD2-CG2 3.83Å; T244-V260 CarbonylContact C-O 3.51Å; T244-V260 VanDerWaalsContact CA-O 3.22Å; T244-V260 WeakPolarHBondContact CA-O 3.48Å; T244-V260 WeakPolarHBondContact CB-O 3.15Å; F245-V260 WeakPolarHBondContact CD1-O 3.13Å; F245-V260 HydrophobicContact CE1-CB 3.95Å; F245-V260 HydrophobicContact CE1-CG1 4.2Å; F245-V260 HydrophobicContact CE2-CB 4.27Å; F245-V260 HydrophobicContact CZ-CB 3.82Å; F245-V260 HydrophobicContact CZ-CG1 4.13Å; F245-V260 PolarHBondContact N-O 3.48Å; F245-V260 PolarHBondContact O-N 3.4Å; F247-V260 HydrophobicContact CB-CG2 4.42Å; I258-V260 HydrophobicContact CB-CG2 4.32Å; I258-V260 HydrophobicContact CG2-CG2 3.67Å; V260-I264 HydrophobicContact CG1-CB 4.4Å; V260-I264 HydrophobicContact CG1-CD1 4.03Å; V260-I264 HydrophobicContact CG1-CG2 3.74Å
261T85.6Confident81.6Confident25 Ų2543.4 Ų43.415%0.15322%0.219CC..EExtended strand (participates in β ladder)trans-72.7142.2173.553.10000110.8N179 E243 T244 D263 I264N179-T261 HydrophobicContact CB-CG2 3.83Å; E243-T261 WeakPolarHBondContact O-CA 3.34Å; T244-T261 HydrophobicContact CG2-CG2 4.21Å; T261-D263 VanDerWaalsContact C-N 3.27Å; T261-D263 WeakPolarHBondContact CB-OD1 3.43Å; T261-D263 PolarHBondContact O-N 3.08Å; T261-D263 PolarHBondContact OG1-OD1 3Å; T261-I264 WeakPolarHBondContact O-CG2 3.34Å
262S85.6Confident83Confident7 Ų734.7 Ų34.75%0.04918%0.181CC..THydrogen-bonded Turntrans-74.7-15.6-175-64.50000114.4Q242 E243 I264 R265Q242-S262 WeakPolarHBondContact O-CB 3.45Å; Q242-S262 PolarHBondContact O-OG 3.15Å; E243-S262 PolarHBondContact O-N 2.97Å; S262-I264 VanDerWaalsContact C-N 3.27Å; S262-I264 PolarHBondContact O-N 2.76Å; S262-R265 WeakPolarHBondContact O-CB 3.47Å; S262-R265 WeakPolarHBondContact O-CG 3.42Å; S262-R265 PolarHBondContact O-N 3.12Å
263D86.7Confident84.5Confident10 Ų1033.4 Ų33.45%0.05318%0.175CC..THydrogen-bonded Turntrans-63.9-30.4176.650.49.4000112.9W224 K237 T261 R265 E266 L267W224-D263 HydrophobicContact CH2-CB 3.69Å; W224-D263 HydrophobicContact CZ2-CB 4.43Å; W224-D263 HydrophobicContact CZ3-CB 3.93Å; K237-D263 IonicContact NZ-OD2 3.15Å; T261-D263 VanDerWaalsContact C-N 3.27Å; T261-D263 WeakPolarHBondContact CB-OD1 3.43Å; T261-D263 PolarHBondContact O-N 3.08Å; T261-D263 PolarHBondContact OG1-OD1 3Å; D263-R265 PolarHBondContact O-N 2.81Å; D263-R265 VanDerWaalsContact O-N 3.07Å; D263-E266 PolarHBondContact O-N 3.08Å; D263-L267 HydrophobicContact CB-CD1 3.85Å; D263-L267 HydrophobicContact CB-CG 4.43Å; D263-L267 WeakPolarHBondContact O-CB 3.41Å; D263-L267 WeakPolarHBondContact O-CG 3.44Å; D263-L267 PolarHBondContact O-N 3.21Å
264I88.7Confident85.8Confident0 Ų032.2 Ų32.20%016%0.158CC..Hα-helixtrans-53.6-31.2175-157.5172.3000112.6I172 Y175 L176 F245 V260 T261 S262 E266 A268I172-I264 HydrophobicContact CB-CD1 4.33Å; I172-I264 HydrophobicContact CG1-CD1 4.39Å; I172-I264 HydrophobicContact CG1-CG1 4.38Å; I172-I264 HydrophobicContact CG2-CD1 3.9Å; Y175-I264 HydrophobicContact CD2-CG1 4.27Å; Y175-I264 HydrophobicContact CG-CG1 4.18Å; L176-I264 HydrophobicContact CD2-CD1 4.05Å; L176-I264 HydrophobicContact CG-CD1 4.06Å; F245-I264 HydrophobicContact CE1-CG2 4.35Å; F245-I264 HydrophobicContact CZ-CG2 4.47Å; V260-I264 HydrophobicContact CG1-CB 4.4Å; V260-I264 HydrophobicContact CG1-CD1 4.03Å; V260-I264 HydrophobicContact CG1-CG2 3.74Å; T261-I264 WeakPolarHBondContact O-CG2 3.34Å; S262-I264 VanDerWaalsContact C-N 3.27Å; S262-I264 PolarHBondContact O-N 2.76Å; I264-E266 PolarHBondContact O-N 3.01Å; I264-A268 HydrophobicContact CG1-CB 4.42Å; I264-A268 WeakPolarHBondContact O-CB 3.39Å; I264-A268 PolarHBondContact O-N 3.36Å; I264-A268 VanDerWaalsContact O-N 3.14Å
265R90.1Very high86.3Confident69 Ų6930.8 Ų30.826%0.2616%0.156SC..Hα-helixtrans-64-33.1-174.7-61.4-177.3-179-172-0.5112.1T212 C213 F214 F245 S262 D263T212-R265 WeakPolarHBondContact O-CB 3.3Å; T212-R265 WeakPolarHBondContact O-CG 3.4Å; C213-R265 VanDerWaalsContact CA-O 3.3Å; C213-R265 WeakPolarHBondContact CA-O 3.31Å; F214-R265 HydrophobicContact CD1-CB 4.13Å; F214-R265 HydrophobicContact CE1-CB 3.72Å; F214-R265 PolarHBondContact N-O 2.79Å; F214-R265 VanDerWaalsContact O-O 3.11Å; F245-R265 HydrophobicContact CE1-CG 4.19Å; S262-R265 WeakPolarHBondContact O-CB 3.47Å; S262-R265 WeakPolarHBondContact O-CG 3.42Å; S262-R265 PolarHBondContact O-N 3.12Å; D263-R265 PolarHBondContact O-N 2.81Å; D263-R265 VanDerWaalsContact O-N 3.07Å
266E91.1Very high86.8Confident7 Ų725.8 Ų25.83%0.03314%0.135CC..Hα-helixtrans-102.8-47.8-179-61-177.8-130.100110.8F214 S216 R220 W224 D263 I264 A268 V269 E270F214-E266 HydrophobicContact CD2-CG 4.29Å; F214-E266 HydrophobicContact CE1-CG 4.17Å; F214-E266 HydrophobicContact CE2-CG 3.49Å; F214-E266 VanDerWaalsContact CE2-CG 3.49Å; F214-E266 HydrophobicContact CZ-CG 3.41Å; F214-E266 VanDerWaalsContact CZ-CG 3.41Å; S216-E266 WeakPolarHBondContact CB-OE2 3.39Å; R220-E266 VanDerWaalsContact CD-OE2 3.25Å; R220-E266 WeakPolarHBondContact CD-OE2 3.49Å; R220-E266 IonicContact CZ-OE1 3.57Å; R220-E266 VanDerWaalsContact CZ-OE1 3.3Å; R220-E266 IonicContact CZ-OE2 3.81Å; R220-E266 IonicContact NE-OE1 3.97Å; R220-E266 PolarHBondContact NE-OE1 2.84Å; R220-E266 IonicContact NE-OE2 2.77Å; R220-E266 PolarHBondContact NE-OE2 3.43Å; R220-E266 IonicContact NH2-OE1 3.43Å; R220-E266 PolarHBondContact NH2-OE1 3.05Å; R220-E266 IonicContact NH2-OE2 3.64Å; W224-E266 PolarHBondContact NE1-OE2 3.36Å; D263-E266 PolarHBondContact O-N 3.08Å; I264-E266 PolarHBondContact O-N 3.01Å; E266-A268 VanDerWaalsContact C-N 3.3Å; E266-A268 PolarHBondContact O-N 3.3Å; E266-V269 PolarHBondContact O-N 3.3Å; E266-E270 PolarHBondContact O-N 2.98Å
267L90.4Very high86.8Confident11 Ų1127.2 Ų27.26%0.05815%0.153CC..Hα-helixtrans-66.8-28.3-174.3-67.5-179.8000113.4Y175 W224 W227 D263 V269 E270Y175-L267 HydrophobicContact CE1-CD1 4.05Å; Y175-L267 HydrophobicContact CE2-CB 4.01Å; W224-L267 HydrophobicContact CB-CD2 3.68Å; W224-L267 HydrophobicContact CD2-CD2 3.87Å; W224-L267 HydrophobicContact CD2-CG 4.28Å; W224-L267 HydrophobicContact CE3-CD1 4.11Å; W224-L267 HydrophobicContact CE3-CD2 3.93Å; W224-L267 HydrophobicContact CE3-CG 4.19Å; W224-L267 HydrophobicContact CG-CD2 3.78Å; W224-L267 HydrophobicContact CZ3-CD1 4.32Å; W227-L267 HydrophobicContact CZ3-CD1 4.39Å; D263-L267 HydrophobicContact CB-CD1 3.85Å; D263-L267 HydrophobicContact CB-CG 4.43Å; D263-L267 WeakPolarHBondContact O-CB 3.41Å; D263-L267 WeakPolarHBondContact O-CG 3.44Å; D263-L267 PolarHBondContact O-N 3.21Å; L267-V269 VanDerWaalsContact C-N 3.29Å; L267-V269 PolarHBondContact O-N 3.3Å; L267-E270 PolarHBondContact O-N 3.5Å
268A91.7Very high86.6Confident0 Ų031.3 Ų31.30%017%0.173CC..THydrogen-bonded Turntrans-60.8-41179.300000112I168 N171 I172 I264 E266 C271I168-A268 HydrophobicContact CG2-CB 4.09Å; N171-A268 PolarHBondContact ND2-O 3.31Å; N171-A268 VanDerWaalsContact ND2-O 3.12Å; I172-A268 HydrophobicContact CD1-CB 4.3Å; I172-A268 HydrophobicContact CG1-CB 3.6Å; I264-A268 HydrophobicContact CG1-CB 4.42Å; I264-A268 WeakPolarHBondContact O-CB 3.39Å; I264-A268 PolarHBondContact O-N 3.36Å; I264-A268 VanDerWaalsContact O-N 3.14Å; E266-A268 VanDerWaalsContact C-N 3.3Å; E266-A268 PolarHBondContact O-N 3.3Å; A268-C271 PolarHBondContact O-SG 3.1Å
269V93.7Very high86.6Confident1 Ų136.8 Ų36.81%0.00620%0.199CC..G310 helixtrans-87-18.6-174.3-167.80000112.2I168 C213 V215 E266 L267 C271 L272 L314I168-V269 HydrophobicContact CD1-CG1 4.33Å; I168-V269 HydrophobicContact CG2-CG2 4.41Å; C213-V269 HydrophobicContact CB-CG2 3.96Å; V215-V269 HydrophobicContact CG2-CG1 3.78Å; E266-V269 PolarHBondContact O-N 3.3Å; L267-V269 VanDerWaalsContact C-N 3.29Å; L267-V269 PolarHBondContact O-N 3.3Å; V269-C271 PolarHBondContact O-N 3.02Å; V269-L272 HydrophobicContact CG1-CD1 3.81Å; V269-L272 HydrophobicContact CG1-CG 4.37Å; V269-L272 WeakPolarHBondContact O-CB 3.44Å; V269-L272 WeakPolarHBondContact O-CG 3.39Å; V269-L272 PolarHBondContact O-N 3.2Å; V269-L314 HydrophobicContact CG1-CD1 3.71Å; V269-L314 HydrophobicContact CG2-CD1 3.92Å
270E92.9Very high86.9Confident29 Ų2936.7 Ų36.714%0.13620%0.199CC..G310 helixtrans-59.3-20.7-178.6-169.153.9-14800113A221 E266 L267 L272 F273 A274 R320A221-E270 WeakPolarHBondContact CB-OE2 3.41Å; E266-E270 PolarHBondContact O-N 2.98Å; L267-E270 PolarHBondContact O-N 3.5Å; E270-L272 PolarHBondContact O-N 3.03Å; E270-F273 PolarHBondContact O-N 2.87Å; E270-A274 HydrophobicContact CG-CB 4.35Å; E270-A274 WeakPolarHBondContact O-CB 3.23Å; E270-A274 PolarHBondContact O-N 3.08Å; E270-R320 IonicContact OE1-CZ 2.58Å; E270-R320 IonicContact OE1-NH1 3.79Å; E270-R320 IonicContact OE1-NH2 3.17Å; E270-R320 PolarHBondContact OE1-NH2 3.3Å; E270-R320 IonicContact OE2-CZ 2.78Å; E270-R320 IonicContact OE2-NH1 2.72Å; E270-R320 PolarHBondContact OE2-NH1 3.31Å; E270-R320 IonicContact OE2-NH2 2.79Å; E270-R320 PolarHBondContact OE2-NH2 2.92Å
271C91.6Very high87.3Confident24 Ų2436.9 Ų36.916%0.16220%0.2CC..G310 helixtrans-56-22.917258.90000114.9K167 N171 A268 V269 F273K167-C271 HydrophobicContact CG-CB 3.97Å; N171-C271 VanDerWaalsContact ND2-CB 3.31Å; N171-C271 WeakPolarHBondContact ND2-CB 3.36Å; A268-C271 PolarHBondContact O-SG 3.1Å; V269-C271 PolarHBondContact O-N 3.02Å; C271-F273 VanDerWaalsContact C-N 3.31Å
272L93.7Very high87.7Confident0 Ų035.7 Ų35.70%019%0.193CC..G310 helixtrans-77.4-18.7178-56.8-177.9000113.1L163 I168 V269 E270 L282 T311 F317L163-L272 HydrophobicContact CB-CD2 4Å; L163-L272 WeakPolarHBondContact O-CD2 3.42Å; I168-L272 HydrophobicContact CD1-CD1 4.1Å; V269-L272 HydrophobicContact CG1-CD1 3.81Å; V269-L272 HydrophobicContact CG1-CG 4.37Å; V269-L272 WeakPolarHBondContact O-CB 3.44Å; V269-L272 WeakPolarHBondContact O-CG 3.39Å; V269-L272 PolarHBondContact O-N 3.2Å; E270-L272 PolarHBondContact O-N 3.03Å; L272-L282 HydrophobicContact CB-CD1 3.85Å; L272-L282 HydrophobicContact CB-CG 4.19Å; L272-L282 HydrophobicContact CD1-CD1 4.02Å; L272-L282 HydrophobicContact CG-CD1 4.37Å; L272-L282 PolarHBondContact O-N 3.03Å; L272-T311 HydrophobicContact CD1-CG2 3.78Å; L272-F317 HydrophobicContact CD1-CE2 4.26Å
273F93.7Very high88.2Confident11 Ų1135.4 Ų35.45%0.04819%0.191CC..THydrogen-bonded Turntrans-124.1-19.9-172.1-61.1-80000114.3V215 E270 C271 G275 T281 F317 R320 L321 E324V215-F273 HydrophobicContact CG1-CD2 4.38Å; V215-F273 HydrophobicContact CG1-CE2 3.73Å; V215-F273 HydrophobicContact CG1-CZ 4.31Å; E270-F273 PolarHBondContact O-N 2.87Å; C271-F273 VanDerWaalsContact C-N 3.31Å; F273-G275 PolarHBondContact O-N 3.22Å; F273-G275 VanDerWaalsContact O-N 3.17Å; F273-T281 VanDerWaalsContact O-CG2 3.26Å; F273-T281 WeakPolarHBondContact O-CG2 3.37Å; F273-F317 HydrophobicContact CZ-CD2 4.34Å; F273-F317 HydrophobicContact CZ-CE2 4.25Å; F273-R320 VanDerWaalsContact CB-NH2 3.3Å; F273-R320 HydrophobicContact CD1-CG 4.08Å; F273-R320 HydrophobicContact CD2-CG 4.23Å; F273-R320 HydrophobicContact CE1-CG 3.86Å; F273-R320 HydrophobicContact CE2-CG 4.02Å; F273-R320 HydrophobicContact CG-CG 4.26Å; F273-R320 HydrophobicContact CZ-CB 4.37Å; F273-R320 HydrophobicContact CZ-CG 3.83Å; F273-L321 HydrophobicContact CE1-CB 4.46Å; F273-L321 HydrophobicContact CE1-CD1 4.13Å; F273-E324 HydrophobicContact CD1-CG 4.03Å
274A86.3Confident88.5Confident38 Ų3835.1 Ų35.131%0.31419%0.189SC..SBendtrans-64.8-20.9-176.400000114.3E270E270-A274 HydrophobicContact CG-CB 4.35Å; E270-A274 WeakPolarHBondContact O-CB 3.23Å; E270-A274 PolarHBondContact O-N 3.08Å
275G75.4Confident88.9Confident23 Ų2335.2 Ų35.224%0.23719%0.19CC..  trans71.8138.7-172.200000111.2F273 T281F273-G275 PolarHBondContact O-N 3.22Å; F273-G275 VanDerWaalsContact O-N 3.17Å; G275-T281 VanDerWaalsContact CA-CG2 3.49Å
276D74.9Confident89.2Confident78 Ų7832 Ų3242%0.41718%0.178SC..  trans-81.2-167.8165.761.27.8000110.7D278 Q279 I280D276-D278 PolarHBondContact O-N 3.4Å; D276-D278 WeakPolarHBondContact OD1-CA 3.47Å; D276-D278 PolarHBondContact OD1-N 3.41Å; D276-Q279 WeakPolarHBondContact O-CA 3.4Å; D276-Q279 PolarHBondContact O-N 3.34Å; D276-Q279 PolarHBondContact O-NE2 3.03Å; D276-Q279 VanDerWaalsContact O-NE2 3.14Å; D276-Q279 PolarHBondContact OD1-N 3.45Å; D276-Q279 VanDerWaalsContact OD1-N 3.1Å; D276-I280 WeakPolarHBondContact OD1-CB 3.45Å; D276-I280 PolarHBondContact OD1-N 3.42Å
277N76.6Confident89.4Confident165 Ų16531.6 Ų31.688%0.88218%0.176SC*.THydrogen-bonded Turntrans-57.9-28.7176.3-66.6-34000112.5Q279N277-Q279 VanDerWaalsContact C-N 3.29Å
278D77.5Confident89.7Confident116 Ų11633.6 Ų33.662%0.6218%0.183SC*.THydrogen-bonded Turntrans-91.68.1178.5-63.6-33000112.5D276 I280D276-D278 PolarHBondContact O-N 3.4Å; D276-D278 WeakPolarHBondContact OD1-CA 3.47Å; D276-D278 PolarHBondContact OD1-N 3.41Å; D278-I280 HydrophobicContact CB-CD1 3.9Å; D278-I280 HydrophobicContact CB-CG1 3.85Å; D278-I280 PolarHBondContact O-N 3.12Å
279Q81.2Confident89.9Confident116 Ų11633.6 Ų33.654%0.54218%0.183SC..  trans56.130.5-176.9-59.6-62.4-56.300113D276 N277 T281 T284D276-Q279 WeakPolarHBondContact O-CA 3.4Å; D276-Q279 PolarHBondContact O-N 3.34Å; D276-Q279 PolarHBondContact O-NE2 3.03Å; D276-Q279 VanDerWaalsContact O-NE2 3.14Å; D276-Q279 PolarHBondContact OD1-N 3.45Å; D276-Q279 VanDerWaalsContact OD1-N 3.1Å; N277-Q279 VanDerWaalsContact C-N 3.29Å; Q279-T281 PolarHBondContact O-N 3.24Å; Q279-T284 VanDerWaalsContact O-CG2 3.29Å; Q279-T284 WeakPolarHBondContact O-CG2 3.44Å; Q279-T284 PolarHBondContact O-OG1 3.05Å
280I91.2Very high90Very high38 Ų3833.6 Ų33.620%0.19518%0.183CC..  trans-78.5112.3179.3-56.8173.8000109.2A161 L163 D276 D278 L285A161-I280 HydrophobicContact CB-CG2 3.66Å; L163-I280 HydrophobicContact CD1-CG2 4.28Å; D276-I280 WeakPolarHBondContact OD1-CB 3.45Å; D276-I280 PolarHBondContact OD1-N 3.42Å; D278-I280 HydrophobicContact CB-CD1 3.9Å; D278-I280 HydrophobicContact CB-CG1 3.85Å; D278-I280 PolarHBondContact O-N 3.12Å; I280-L285 HydrophobicContact CG2-CD2 4Å; I280-L285 HydrophobicContact CG2-CG 4.38Å
281T93.9Very high90.1Very high6 Ų634.1 Ų34.14%0.03719%0.186CC..  trans-126.6164.3171.868.70000110.4F273 G275 Q279 T283 T284 L285F273-T281 VanDerWaalsContact O-CG2 3.26Å; F273-T281 WeakPolarHBondContact O-CG2 3.37Å; G275-T281 VanDerWaalsContact CA-CG2 3.49Å; Q279-T281 PolarHBondContact O-N 3.24Å; T281-T283 PolarHBondContact O-N 2.89Å; T281-T283 PolarHBondContact OG1-N 3.44Å; T281-T284 PolarHBondContact N-OG1 3.35Å; T281-T284 PolarHBondContact O-N 3.22Å; T281-T284 PolarHBondContact O-OG1 2.94Å; T281-T284 WeakPolarHBondContact OG1-CG2 3.4Å; T281-T284 PolarHBondContact OG1-N 3.27Å; T281-T284 VanDerWaalsContact OG1-N 3.11Å; T281-L285 WeakPolarHBondContact O-CG 3.37Å; T281-L285 PolarHBondContact O-N 2.89Å
282L95.4Very high90.4Very high0 Ų037.1 Ų37.10%020%0.2CC..Hα-helixtrans-53-38.8173.3-64.9-178000112.1L136 A143 L163 L272 L285 I286 F317 L321L136-L282 HydrophobicContact CD1-CD2 4.38Å; L136-L282 HydrophobicContact CD2-CB 4.47Å; A143-L282 HydrophobicContact CB-CD2 3.31Å; L163-L282 HydrophobicContact CB-CD2 3.69Å; L163-L282 HydrophobicContact CB-CG 4.4Å; L163-L282 HydrophobicContact CD1-CD2 3.97Å; L163-L282 HydrophobicContact CD1-CG 4.24Å; L272-L282 HydrophobicContact CB-CD1 3.85Å; L272-L282 HydrophobicContact CB-CG 4.19Å; L272-L282 HydrophobicContact CD1-CD1 4.02Å; L272-L282 HydrophobicContact CG-CD1 4.37Å; L272-L282 PolarHBondContact O-N 3.03Å; L282-L285 HydrophobicContact CD2-CD1 4.45Å; L282-L285 PolarHBondContact O-N 2.77Å; L282-I286 PolarHBondContact O-N 3.19Å; L282-F317 HydrophobicContact CD1-CE2 3.68Å; L282-F317 HydrophobicContact CD1-CZ 3.59Å; L282-L321 HydrophobicContact CB-CD1 4.4Å
283T95Very high90.4Very high1 Ų137.2 Ų37.21%0.00620%0.201CC..Hα-helixtrans-63.3-48.8176.8-480000111.7T281 L285 I286 L287 L321 E324 L325 L328T281-T283 PolarHBondContact O-N 2.89Å; T281-T283 PolarHBondContact OG1-N 3.44Å; T283-L285 VanDerWaalsContact C-N 3.28Å; T283-L285 PolarHBondContact O-N 2.94Å; T283-I286 PolarHBondContact O-N 3.46Å; T283-L287 HydrophobicContact CG2-CD1 4.34Å; T283-L287 WeakPolarHBondContact O-CG 3.32Å; T283-L287 PolarHBondContact O-N 3.35Å; T283-L321 WeakPolarHBondContact OG1-CD1 3.27Å; T283-E324 VanDerWaalsContact CG2-C 3.49Å; T283-E324 HydrophobicContact CG2-CB 3.84Å; T283-E324 VanDerWaalsContact OG1-CB 3.32Å; T283-E324 WeakPolarHBondContact OG1-CB 3.45Å; T283-L325 HydrophobicContact CG2-CB 4.27Å; T283-L325 HydrophobicContact CG2-CD2 3.6Å; T283-L325 HydrophobicContact CG2-CG 3.81Å; T283-L328 HydrophobicContact CG2-CB 4.38Å; T283-L328 HydrophobicContact CG2-CD1 3.66Å; T283-L328 HydrophobicContact CG2-CG 4.31Å
284T94.7Very high90.5Very high4 Ų439.8 Ų39.83%0.02522%0.219CC..Hα-helixtrans-64.1-32.3178.661.20000112.7Q279 T281 I286 L287 R288 L328 F334Q279-T284 VanDerWaalsContact O-CG2 3.29Å; Q279-T284 WeakPolarHBondContact O-CG2 3.44Å; Q279-T284 PolarHBondContact O-OG1 3.05Å; T281-T284 PolarHBondContact N-OG1 3.35Å; T281-T284 PolarHBondContact O-N 3.22Å; T281-T284 PolarHBondContact O-OG1 2.94Å; T281-T284 WeakPolarHBondContact OG1-CG2 3.4Å; T281-T284 PolarHBondContact OG1-N 3.27Å; T281-T284 VanDerWaalsContact OG1-N 3.11Å; T284-I286 VanDerWaalsContact C-N 3.34Å; T284-I286 PolarHBondContact O-N 3.04Å; T284-L287 PolarHBondContact O-N 3.48Å; T284-R288 VanDerWaalsContact O-CB 3.28Å; T284-R288 WeakPolarHBondContact O-CB 3.17Å; T284-R288 VanDerWaalsContact O-CG 3.27Å; T284-R288 WeakPolarHBondContact O-CG 3.29Å; T284-R288 PolarHBondContact O-N 3.46Å; T284-L328 HydrophobicContact CG2-CD1 3.89Å; T284-F334 HydrophobicContact CG2-CE2 4.48Å
285L95.7Very high90.8Very high3 Ų344.1 Ų44.12%0.01624%0.235CC..Hα-helixtrans-61.8-43.5174.7-64.8176.1000111.2A143 V145 Q159 A161 L163 I280 T281 L282 T283 S289A143-L285 HydrophobicContact CB-CD1 4.35Å; V145-L285 HydrophobicContact CG2-CB 3.72Å; Q159-L285 HydrophobicContact CB-CB 4.23Å; Q159-L285 HydrophobicContact CB-CD2 3.94Å; A161-L285 HydrophobicContact CB-CD1 3.87Å; A161-L285 HydrophobicContact CB-CD2 4.08Å; A161-L285 HydrophobicContact CB-CG 4.47Å; L163-L285 HydrophobicContact CD1-CD1 4.29Å; I280-L285 HydrophobicContact CG2-CD2 4Å; I280-L285 HydrophobicContact CG2-CG 4.38Å; T281-L285 WeakPolarHBondContact O-CG 3.37Å; T281-L285 PolarHBondContact O-N 2.89Å; L282-L285 HydrophobicContact CD2-CD1 4.45Å; L282-L285 PolarHBondContact O-N 2.77Å; T283-L285 VanDerWaalsContact C-N 3.28Å; T283-L285 PolarHBondContact O-N 2.94Å; L285-S289 VanDerWaalsContact O-CB 3.25Å; L285-S289 WeakPolarHBondContact O-CB 3.24Å; L285-S289 PolarHBondContact O-N 2.94Å
286I96.6Very high91.7Very high0 Ų050.2 Ų50.20%026%0.263CS..Hα-helixtrans-62.4-49.3175.7-64.1172.8000110.3V134 L136 V145 L282 T283 T284 R288 S289 I290 I305 L321 L325V134-I286 HydrophobicContact CG1-CG2 4.43Å; L136-I286 HydrophobicContact CB-CD1 4.39Å; L136-I286 HydrophobicContact CD2-CD1 3.95Å; V145-I286 HydrophobicContact CG1-CG1 4.44Å; V145-I286 HydrophobicContact CG2-CG1 4Å; L282-I286 PolarHBondContact O-N 3.19Å; T283-I286 PolarHBondContact O-N 3.46Å; T284-I286 VanDerWaalsContact C-N 3.34Å; T284-I286 PolarHBondContact O-N 3.04Å; I286-R288 PolarHBondContact O-N 3.25Å; I286-S289 WeakPolarHBondContact O-CB 3.42Å; I286-S289 PolarHBondContact O-N 2.94Å; I286-I290 HydrophobicContact CG2-CD1 3.82Å; I286-I290 WeakPolarHBondContact O-CG1 3.46Å; I286-I290 PolarHBondContact O-N 2.98Å; I286-I305 HydrophobicContact CG2-CD1 4.43Å; I286-L321 HydrophobicContact CD1-CD1 4.25Å; I286-L321 HydrophobicContact CD1-CD2 4.02Å; I286-L321 HydrophobicContact CD1-CG 4.45Å; I286-L325 HydrophobicContact CB-CD2 4.25Å; I286-L325 HydrophobicContact CG2-CD2 4.06Å
287L95.8Very high92.7Very high0 Ų047.1 Ų47.10%025%0.246CC..Hα-helixtrans-64.3-42.4-177.8-64.5179.6000112.4T283 T284 I290 L291 L325 L328 V329 F334 L337 F344T283-L287 HydrophobicContact CG2-CD1 4.34Å; T283-L287 WeakPolarHBondContact O-CG 3.32Å; T283-L287 PolarHBondContact O-N 3.35Å; T284-L287 PolarHBondContact O-N 3.48Å; L287-I290 PolarHBondContact O-N 2.78Å; L287-L291 WeakPolarHBondContact O-CB 3.42Å; L287-L291 PolarHBondContact O-N 3.44Å; L287-L325 HydrophobicContact CD2-CD2 3.71Å; L287-L325 HydrophobicContact CG-CD2 3.93Å; L287-L328 HydrophobicContact CD1-CB 3.81Å; L287-V329 HydrophobicContact CD1-CG2 3.81Å; L287-V329 HydrophobicContact CD2-CG2 3.35Å; L287-V329 HydrophobicContact CG-CG2 4.23Å; L287-F334 HydrophobicContact CB-CD1 3.76Å; L287-F334 HydrophobicContact CB-CD2 4.46Å; L287-F334 HydrophobicContact CB-CE1 3.54Å; L287-F334 HydrophobicContact CB-CE2 4.27Å; L287-F334 HydrophobicContact CB-CG 4.23Å; L287-F334 HydrophobicContact CB-CZ 3.82Å; L287-F334 HydrophobicContact CD1-CD2 3.91Å; L287-F334 HydrophobicContact CD1-CE2 3.98Å; L287-F334 HydrophobicContact CD1-CG 4.22Å; L287-F334 HydrophobicContact CD1-CZ 4.36Å; L287-L337 HydrophobicContact CB-CD1 4.47Å; L287-L337 HydrophobicContact CD2-CD1 4.49Å; L287-L337 WeakPolarHBondContact O-CD1 2.95Å; L287-F344 HydrophobicContact CD2-CE1 4.24Å; L287-F344 HydrophobicContact CD2-CZ 3.96Å
288R95.5Very high93.6Very high53 Ų5340.7 Ų40.720%0.221%0.209CC..Hα-helixtrans-63.7-41.4175.1-74.1179.5177.5161.36.8111.6Q159 T284 I286 I290 L291 L292 E333 F334Q159-R288 HydrophobicContact CG-CB 4.08Å; T284-R288 VanDerWaalsContact O-CB 3.28Å; T284-R288 WeakPolarHBondContact O-CB 3.17Å; T284-R288 VanDerWaalsContact O-CG 3.27Å; T284-R288 WeakPolarHBondContact O-CG 3.29Å; T284-R288 PolarHBondContact O-N 3.46Å; I286-R288 PolarHBondContact O-N 3.25Å; R288-I290 PolarHBondContact O-N 3.17Å; R288-L291 WeakPolarHBondContact O-CB 3.19Å; R288-L291 PolarHBondContact O-N 3.35Å; R288-L292 WeakPolarHBondContact O-CG 3.32Å; R288-L292 PolarHBondContact O-N 3.18Å; R288-E333 IonicContact CZ-OE1 2.67Å; R288-E333 IonicContact NE-OE1 3.45Å; R288-E333 PolarHBondContact NE-OE1 3.01Å; R288-E333 IonicContact NH2-OE1 2.73Å; R288-E333 PolarHBondContact NH2-OE1 3.45Å; R288-E333 IonicContact NH2-OE2 2.77Å; R288-F334 HydrophobicContact CG-CE1 3.83Å; R288-F334 HydrophobicContact CG-CZ 4.03Å
289S96.5Very high94.4Very high0 Ų041.1 Ų41.10%020%0.202CC..Hα-helixtrans-60.6-45.5175.3-176.10000111.9P147 A157 L285 I286 L291 L292 A293P147-S289 WeakPolarHBondContact CD-OG 2.94Å; P147-S289 WeakPolarHBondContact CG-OG 3.25Å; A157-S289 WeakPolarHBondContact O-CA 3.45Å; A157-S289 WeakPolarHBondContact O-CB 3.38Å; A157-S289 PolarHBondContact O-OG 3.04Å; L285-S289 VanDerWaalsContact O-CB 3.25Å; L285-S289 WeakPolarHBondContact O-CB 3.24Å; L285-S289 PolarHBondContact O-N 2.94Å; I286-S289 WeakPolarHBondContact O-CB 3.42Å; I286-S289 PolarHBondContact O-N 2.94Å; S289-L291 VanDerWaalsContact C-N 3.32Å; S289-L291 PolarHBondContact O-N 2.97Å; S289-L292 PolarHBondContact O-N 3.31Å; S289-A293 PolarHBondContact O-N 2.84Å; S289-A293 VanDerWaalsContact O-N 3.16Å
290I96.4Very high95.1Very high1 Ų138.9 Ų38.91%0.00519%0.191CC..Hα-helixtrans-65.7-35.1175.2-65.1170000111.5I286 L287 R288 A293 R298 L301 A302 L337 L340 F344I286-I290 HydrophobicContact CG2-CD1 3.82Å; I286-I290 WeakPolarHBondContact O-CG1 3.46Å; I286-I290 PolarHBondContact O-N 2.98Å; L287-I290 PolarHBondContact O-N 2.78Å; R288-I290 PolarHBondContact O-N 3.17Å; I290-A293 WeakPolarHBondContact O-CB 3.26Å; I290-A293 PolarHBondContact O-N 2.72Å; I290-R298 HydrophobicContact CG2-CB 3.83Å; I290-R298 HydrophobicContact CG2-CG 4.13Å; I290-R298 VanDerWaalsContact O-CD 3.3Å; I290-R298 WeakPolarHBondContact O-CD 3.39Å; I290-R298 WeakPolarHBondContact O-CG 3.32Å; I290-R298 PolarHBondContact O-NE 2.95Å; I290-L301 HydrophobicContact CG1-CB 4.44Å; I290-A302 HydrophobicContact CD1-CB 4.32Å; I290-L337 HydrophobicContact CB-CD1 4.42Å; I290-L337 HydrophobicContact CG2-CD1 4.24Å; I290-L337 HydrophobicContact CG2-CD2 4.01Å; I290-L340 HydrophobicContact CG2-CD1 4.07Å; I290-F344 HydrophobicContact CD1-CE1 4.27Å
291L95.4Very high95.3Very high39 Ų3937.1 Ų37.120%0.20418%0.181CC..Hα-helixtrans-66.9-38.7177.6-17663000112.5L287 R288 S289 A293 R298 F334 K336 L337L287-L291 WeakPolarHBondContact O-CB 3.42Å; L287-L291 PolarHBondContact O-N 3.44Å; R288-L291 WeakPolarHBondContact O-CB 3.19Å; R288-L291 PolarHBondContact O-N 3.35Å; S289-L291 VanDerWaalsContact C-N 3.32Å; S289-L291 PolarHBondContact O-N 2.97Å; L291-A293 VanDerWaalsContact C-N 3.3Å; L291-R298 PolarHBondContact O-NH2 2.99Å; L291-F334 HydrophobicContact CD2-CD1 4.35Å; L291-K336 HydrophobicContact CD1-CB 4.02Å; L291-K336 HydrophobicContact CD1-CD 4.18Å; L291-L337 HydrophobicContact CB-CD1 4.12Å; L291-L337 HydrophobicContact CD1-CD2 4.29Å; L291-L337 HydrophobicContact CD1-CG 4.21Å
292L96.2Very high95.4Very high88 Ų8836.8 Ų36.846%0.46118%0.18SC..Hα-helixtrans-72.9-24.6176.8-69.3174.8000112.5A157 Q159 R288 S289A157-L292 HydrophobicContact CB-CB 3.68Å; Q159-L292 VanDerWaalsContact NE2-CD1 3.25Å; R288-L292 WeakPolarHBondContact O-CG 3.32Å; R288-L292 PolarHBondContact O-N 3.18Å; S289-L292 PolarHBondContact O-N 3.31Å
293A95.3Very high95.4Very high1 Ų139.9 Ų39.91%0.00819%0.194CC..SBendtrans-64.3149.517400000112S289 I290 L291 I297 R298 L301S289-A293 PolarHBondContact O-N 2.84Å; S289-A293 VanDerWaalsContact O-N 3.16Å; I290-A293 WeakPolarHBondContact O-CB 3.26Å; I290-A293 PolarHBondContact O-N 2.72Å; L291-A293 VanDerWaalsContact C-N 3.3Å; A293-I297 HydrophobicContact CB-CD1 4.14Å; A293-I297 HydrophobicContact CB-CG1 4.16Å; A293-R298 PolarHBondContact O-NE 3.41Å; A293-R298 PolarHBondContact O-NH2 3.05Å; A293-L301 HydrophobicContact CB-CD1 3.66Å
294P94.9Very high95.5Very high66 Ų6641.3 Ų41.343%0.42920%0.202SC..  trans-53.9144.8172.7-26.134000112.7D296 I297 R298P294-D296 VanDerWaalsContact C-N 3.26Å; P294-D296 PolarHBondContact O-N 3.47Å; P294-I297 HydrophobicContact CB-CG1 4.36Å; P294-I297 HydrophobicContact CG-CD1 4.46Å; P294-I297 VanDerWaalsContact O-CG1 3.29Å; P294-I297 WeakPolarHBondContact O-CG1 3.23Å; P294-I297 PolarHBondContact O-N 2.72Å; P294-R298 VanDerWaalsContact O-CG 3.27Å; P294-R298 WeakPolarHBondContact O-CG 3.23Å
295I93.1Very high95.6Very high128 Ų12841.2 Ų41.266%0.65620%0.201SC*.G310 helixtrans-55.2-41.5-171.6-63.5169.4000111.9I297 R298I295-I297 VanDerWaalsContact C-N 3.26Å; I295-I297 PolarHBondContact O-N 2.72Å; I295-R298 PolarHBondContact O-N 2.94Å
296D94.2Very high95.7Very high152 Ų15241 Ų4181%0.81320%0.2SC*.G310 helixtrans-65.7-27.5-173.1-55.8-37000113.4P294P294-D296 VanDerWaalsContact C-N 3.26Å; P294-D296 PolarHBondContact O-N 3.47Å
297I94.8Very high95.7Very high13 Ų1341.8 Ų41.87%0.06720%0.204CC..G310 helixtrans-97.6-12.4-175.369.3167.4000113.3Y149 L154 A293 P294 I295 R299 K300 L301Y149-I297 HydrophobicContact CD1-CG2 4.28Å; Y149-I297 HydrophobicContact CD2-CB 3.88Å; Y149-I297 HydrophobicContact CD2-CD1 4.16Å; Y149-I297 HydrophobicContact CD2-CG2 3.69Å; Y149-I297 HydrophobicContact CE1-CG2 3.98Å; Y149-I297 HydrophobicContact CE2-CB 3.84Å; Y149-I297 HydrophobicContact CE2-CG2 3.33Å; Y149-I297 HydrophobicContact CG-CD1 4.14Å; Y149-I297 HydrophobicContact CG-CG2 4.15Å; L154-I297 HydrophobicContact CD1-CD1 3.4Å; L154-I297 VanDerWaalsContact CD1-CD1 3.4Å; A293-I297 HydrophobicContact CB-CD1 4.14Å; A293-I297 HydrophobicContact CB-CG1 4.16Å; P294-I297 HydrophobicContact CB-CG1 4.36Å; P294-I297 HydrophobicContact CG-CD1 4.46Å; P294-I297 VanDerWaalsContact O-CG1 3.29Å; P294-I297 WeakPolarHBondContact O-CG1 3.23Å; P294-I297 PolarHBondContact O-N 2.72Å; I295-I297 VanDerWaalsContact C-N 3.26Å; I295-I297 PolarHBondContact O-N 2.72Å; I297-R299 VanDerWaalsContact C-N 3.32Å; I297-R299 PolarHBondContact O-N 3.13Å; I297-K300 WeakPolarHBondContact O-CB 3.31Å; I297-K300 PolarHBondContact O-N 3.4Å; I297-K300 VanDerWaalsContact O-N 3.09Å; I297-L301 HydrophobicContact CD1-CD1 3.88Å; I297-L301 HydrophobicContact CD1-CG 4.49Å; I297-L301 HydrophobicContact CG1-CD1 4.02Å; I297-L301 WeakPolarHBondContact O-CG 3.42Å; I297-L301 PolarHBondContact O-N 3.41Å
298R95.7Very high95.7Very high30 Ų3041.9 Ų41.911%0.11321%0.205CC..Hα-helixtrans-58.5-40.6-172.6-60.1-170.8-179160.50.3113.4I290 L291 A293 P294 I295 L301 A302 L340I290-R298 HydrophobicContact CG2-CB 3.83Å; I290-R298 HydrophobicContact CG2-CG 4.13Å; I290-R298 VanDerWaalsContact O-CD 3.3Å; I290-R298 WeakPolarHBondContact O-CD 3.39Å; I290-R298 WeakPolarHBondContact O-CG 3.32Å; I290-R298 PolarHBondContact O-NE 2.95Å; L291-R298 PolarHBondContact O-NH2 2.99Å; A293-R298 PolarHBondContact O-NE 3.41Å; A293-R298 PolarHBondContact O-NH2 3.05Å; P294-R298 VanDerWaalsContact O-CG 3.27Å; P294-R298 WeakPolarHBondContact O-CG 3.23Å; I295-R298 PolarHBondContact O-N 2.94Å; R298-L301 PolarHBondContact O-N 2.91Å; R298-A302 WeakPolarHBondContact O-CB 3.43Å; R298-A302 PolarHBondContact O-N 3.23Å; R298-L340 HydrophobicContact CB-CD1 4.04Å
299R95Very high95.5Very high125 Ų12539.8 Ų39.847%0.47220%0.199SC..Hα-helixtrans-61.9-46.7176.9-178.1179.2-62.6-75.3-3.4111.3I297 L301 A302 E303 L340I297-R299 VanDerWaalsContact C-N 3.32Å; I297-R299 PolarHBondContact O-N 3.13Å; R299-L301 VanDerWaalsContact C-N 3.31Å; R299-L301 PolarHBondContact O-N 3.2Å; R299-A302 PolarHBondContact O-N 2.93Å; R299-E303 VanDerWaalsContact CG-OE1 3.31Å; R299-E303 WeakPolarHBondContact CG-OE1 3.39Å; R299-E303 WeakPolarHBondContact O-CB 3.25Å; R299-E303 WeakPolarHBondContact O-CG 3.42Å; R299-E303 PolarHBondContact O-N 2.88Å; R299-L340 HydrophobicContact CB-CD2 3.9Å; R299-L340 HydrophobicContact CG-CD2 4.29Å
300K95.6Very high95.3Very high69 Ų6941.4 Ų41.430%0.322%0.216SC..Hα-helixtrans-62.3-38.9178-164.3-176.4-171.1-172.40111.5S132 Y149 E150 I297 N304S132-K300 PolarHBondContact OG-NZ 2.94Å; Y149-K300 HydrophobicContact CD2-CD 4.42Å; Y149-K300 HydrophobicContact CE2-CD 3.82Å; E150-K300 IonicContact OE1-NZ 2.84Å; E150-K300 PolarHBondContact OE1-NZ 3.17Å; I297-K300 WeakPolarHBondContact O-CB 3.31Å; I297-K300 PolarHBondContact O-N 3.4Å; I297-K300 VanDerWaalsContact O-N 3.09Å; K300-N304 WeakPolarHBondContact O-CB 3.22Å; K300-N304 PolarHBondContact O-N 2.71Å; K300-N304 PolarHBondContact O-ND2 2.8Å
301L95.9Very high95.2Very high0 Ų041.5 Ų41.50%022%0.216CC..Hα-helixtrans-68-43.1175.5-65.7176.9000112.2P147 I290 A293 I297 R298 R299 E303 N304P147-L301 HydrophobicContact CB-CD1 3.82Å; P147-L301 HydrophobicContact CB-CD2 4.1Å; I290-L301 HydrophobicContact CG1-CB 4.44Å; A293-L301 HydrophobicContact CB-CD1 3.66Å; I297-L301 HydrophobicContact CD1-CD1 3.88Å; I297-L301 HydrophobicContact CD1-CG 4.49Å; I297-L301 HydrophobicContact CG1-CD1 4.02Å; I297-L301 WeakPolarHBondContact O-CG 3.42Å; I297-L301 PolarHBondContact O-N 3.41Å; R298-L301 PolarHBondContact O-N 2.91Å; R299-L301 VanDerWaalsContact C-N 3.31Å; R299-L301 PolarHBondContact O-N 3.2Å; L301-E303 VanDerWaalsContact C-N 3.33Å; L301-E303 PolarHBondContact O-N 3.47Å; L301-N304 CarbonylContact O-C 3.49Å; L301-N304 VanDerWaalsContact O-C 3.24Å; L301-N304 PolarHBondContact O-N 2.9Å; L301-N304 VanDerWaalsContact O-N 3.12Å; L301-N304 VanDerWaalsContact O-O 3.14Å
302A95.6Very high95.2Very high0 Ų040.1 Ų40.10%021%0.21CC..Hα-helixtrans-63.9-38.2177.800000112.4I290 R298 R299 N304 L340 F344 K345I290-A302 HydrophobicContact CD1-CB 4.32Å; R298-A302 WeakPolarHBondContact O-CB 3.43Å; R298-A302 PolarHBondContact O-N 3.23Å; R299-A302 PolarHBondContact O-N 2.93Å; A302-N304 PolarHBondContact O-N 3.41Å; A302-L340 HydrophobicContact CB-CB 4.44Å; A302-L340 HydrophobicContact CB-CD1 4.1Å; A302-F344 HydrophobicContact CB-CD1 3.84Å; A302-F344 HydrophobicContact CB-CE1 3.76Å; A302-F344 VanDerWaalsContact O-CA 3.31Å; A302-F344 WeakPolarHBondContact O-CA 3.3Å; A302-K345 PolarHBondContact O-N 3.3Å
303E96Very high95.1Very high65 Ų6540 Ų4030%0.30421%0.208SC..THydrogen-bonded Turntrans-74.3-11.5175.6-71.1172.8-167.400113.3R299 L301 S343 K345R299-E303 VanDerWaalsContact CG-OE1 3.31Å; R299-E303 WeakPolarHBondContact CG-OE1 3.39Å; R299-E303 WeakPolarHBondContact O-CB 3.25Å; R299-E303 WeakPolarHBondContact O-CG 3.42Å; R299-E303 PolarHBondContact O-N 2.88Å; L301-E303 VanDerWaalsContact C-N 3.33Å; L301-E303 PolarHBondContact O-N 3.47Å; E303-S343 WeakPolarHBondContact CA-O 3.34Å; E303-S343 VanDerWaalsContact CG-O 3.26Å; E303-S343 WeakPolarHBondContact CG-O 3.31Å; E303-K345 WeakPolarHBondContact O-CB 3.15Å
304N96.5Very high95.1Very high31 Ų3140.9 Ų40.917%0.16621%0.212CC..  trans-129.575.2-178.4-64.1-27.1000110.6S132 A133 V134 K300 L301 A302 H347S132-N304 WeakPolarHBondContact O-CB 3.3Å; S132-N304 PolarHBondContact O-ND2 2.87Å; A133-N304 CarbonylContact C-O 3.52Å; A133-N304 WeakPolarHBondContact CA-O 3.34Å; A133-N304 HydrophobicContact CB-CB 3.94Å; A133-N304 VanDerWaalsContact CB-O 3.24Å; A133-N304 WeakPolarHBondContact CB-O 3.25Å; V134-N304 PolarHBondContact N-O 3.46Å; K300-N304 WeakPolarHBondContact O-CB 3.22Å; K300-N304 PolarHBondContact O-N 2.71Å; K300-N304 PolarHBondContact O-ND2 2.8Å; L301-N304 CarbonylContact O-C 3.49Å; L301-N304 VanDerWaalsContact O-C 3.24Å; L301-N304 PolarHBondContact O-N 2.9Å; L301-N304 VanDerWaalsContact O-N 3.12Å; L301-N304 VanDerWaalsContact O-O 3.14Å; A302-N304 PolarHBondContact O-N 3.41Å; N304-H347 PolarHBondContact OD1-NE2 3.5Å
305I97.5Very high95.1Very high1 Ų141.6 Ų41.61%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-95.7129.4171.9-56.8168.9000109.3V134 I286 L307 L325 F344 K345 F346 H347V134-I305 HydrophobicContact CG1-CB 4.11Å; V134-I305 HydrophobicContact CG1-CG1 3.55Å; V134-I305 HydrophobicContact CG1-CG2 4.19Å; V134-I305 WeakPolarHBondContact O-CA 3.49Å; I286-I305 HydrophobicContact CG2-CD1 4.43Å; I305-L307 HydrophobicContact CG2-CD2 4.08Å; I305-L325 HydrophobicContact CD1-CD1 3.77Å; I305-F344 HydrophobicContact CD1-CB 4.33Å; I305-F344 HydrophobicContact CD1-CD1 3.84Å; I305-K345 WeakPolarHBondContact CB-O 3.03Å; I305-K345 PolarHBondContact N-O 3.17Å; I305-F346 HydrophobicContact CB-CD1 3.82Å; I305-F346 HydrophobicContact CB-CE1 3.96Å; I305-F346 HydrophobicContact CD1-CE1 4.17Å; I305-F346 HydrophobicContact CD1-CZ 4.24Å; I305-F346 HydrophobicContact CG2-CD1 3.63Å; I305-F346 HydrophobicContact CG2-CE1 3.5Å; I305-F346 WeakPolarHBondContact O-CA 3.4Å; I305-H347 PolarHBondContact O-N 3.49Å
306V96.8Very high95.2Very high0 Ų037 Ų370%020%0.201CC..EExtended strand (participates in β ladder)trans-117.5131.5175.2-175.60000108.8L125 L128 I130 A133 V134 V135 L136 I308 H347L125-V306 HydrophobicContact CD2-CG2 3.87Å; L128-V306 HydrophobicContact CD1-CB 4.49Å; L128-V306 HydrophobicContact CD1-CG1 4.03Å; L128-V306 HydrophobicContact CD1-CG2 3.59Å; I130-V306 HydrophobicContact CD1-CG2 4.08Å; A133-V306 HydrophobicContact CB-CG2 3.86Å; V134-V306 PolarHBondContact O-N 2.75Å; V135-V306 WeakPolarHBondContact CA-O 3.34Å; V135-V306 HydrophobicContact CG2-CB 4.28Å; L136-V306 PolarHBondContact N-O 2.97Å; V306-I308 HydrophobicContact CG1-CG2 4.14Å; V306-H347 HydrophobicContact CG2-CB 4.33Å
307L96.7Very high95.3Very high15 Ų1529.8 Ų29.88%0.07916%0.163CC..EExtended strand (participates in β ladder)trans-106.8124.3178.8-57-179.3000109.1L136 I305 T312 F317 V318 L321 F346L136-L307 HydrophobicContact CB-CD2 3.87Å; L136-L307 HydrophobicContact CD2-CD2 3.85Å; L136-L307 HydrophobicContact CG-CD2 4.24Å; I305-L307 HydrophobicContact CG2-CD2 4.08Å; L307-T312 HydrophobicContact CB-CG2 4.27Å; L307-F317 HydrophobicContact CD1-CD1 4.19Å; L307-F317 HydrophobicContact CD1-CE1 4.12Å; L307-V318 HydrophobicContact CD1-CG1 4.45Å; L307-V318 HydrophobicContact CD1-CG2 3.78Å; L307-L321 HydrophobicContact CD1-CD2 4.22Å; L307-L321 HydrophobicContact CD2-CD2 3.82Å; L307-F346 HydrophobicContact CD1-CD1 3.8Å; L307-F346 HydrophobicContact CD1-CE1 3.98Å; L307-F346 HydrophobicContact CD2-CD1 4.2Å; L307-F346 HydrophobicContact CD2-CE1 4.01Å; L307-F346 HydrophobicContact CG-CD1 3.87Å; L307-F346 HydrophobicContact CG-CE1 4.14Å
308I95.4Very high95.3Very high3 Ų332.2 Ų32.22%0.01518%0.178CC..EExtended strand (participates in β ladder)trans-128.9161.3174.169.9177.7000110.2A124 V135 L136 D137 C138 V306 T312 I356A124-I308 HydrophobicContact CB-CD1 4.21Å; A124-I308 HydrophobicContact CB-CG2 3.74Å; V135-I308 HydrophobicContact CG1-CD1 3.66Å; V135-I308 HydrophobicContact CG1-CG1 3.88Å; V135-I308 HydrophobicContact CG1-CG2 4.23Å; L136-I308 PolarHBondContact O-N 2.78Å; L136-I308 VanDerWaalsContact O-O 3.12Å; D137-I308 VanDerWaalsContact CA-CG1 3.48Å; D137-I308 WeakPolarHBondContact CA-O 3.36Å; D137-I308 HydrophobicContact CB-CD1 3.77Å; D137-I308 HydrophobicContact CB-CG1 3.54Å; C138-I308 PolarHBondContact N-O 3.3Å; V306-I308 HydrophobicContact CG1-CG2 4.14Å; I308-T312 WeakPolarHBondContact O-CG2 3.34Å; I308-I356 HydrophobicContact CG2-CB 4.02Å; I308-I356 HydrophobicContact CG2-CG2 3.76Å
309G92.8Very high95.3Very high8 Ų833.7 Ų33.78%0.08219%0.193CC..SBendtrans104.8157.9-18000000112.8C138 T311 T312 A353C138-G309 CarbonylContact O-C 3.53Å; C138-G309 WeakPolarHBondContact O-CA 3.45Å; G309-T311 VanDerWaalsContact C-N 3.34Å; G309-T311 PolarHBondContact O-N 2.83Å; G309-T312 PolarHBondContact O-OG1 3.38Å; G309-A353 PolarHBondContact N-O 2.92Å
310G91.9Very high95.3Very high34 Ų3427.9 Ų27.935%0.35117%0.171SC..SBendtrans-69.4-30.9-17500000113.6T312 M313G310-T312 VanDerWaalsContact C-N 3.29Å; G310-T312 PolarHBondContact O-N 2.69Å; G310-M313 WeakPolarHBondContact O-CB 3.27Å; G310-M313 PolarHBondContact O-N 3.08Å
311T94.2Very high95.3Very high3 Ų324.6 Ų24.62%0.01816%0.157CC..G310 helixtrans-69-28.7-176.8-52.50000111.9C138 G139 S165 I168 L272 G309 M313 L314C138-T311 WeakPolarHBondContact O-CB 3.37Å; C138-T311 PolarHBondContact O-N 3.28Å; C138-T311 PolarHBondContact O-OG1 2.97Å; C138-T311 WeakPolarHBondContact SG-CB 3.43Å; G139-T311 PolarHBondContact O-OG1 3.5Å; S165-T311 PolarHBondContact N-OG1 2.79Å; S165-T311 PolarHBondContact OG-OG1 3.17Å; I168-T311 HydrophobicContact CD1-CG2 3.79Å; L272-T311 HydrophobicContact CD1-CG2 3.78Å; G309-T311 VanDerWaalsContact C-N 3.34Å; G309-T311 PolarHBondContact O-N 2.83Å; T311-M313 PolarHBondContact O-N 3.02Å; T311-L314 HydrophobicContact CG2-CD1 4.23Å; T311-L314 WeakPolarHBondContact O-CD1 3.37Å; T311-L314 WeakPolarHBondContact O-CG 3.12Å; T311-L314 PolarHBondContact O-N 2.98Å
312T94.6Very high95.3Very high11 Ų1128.5 Ų28.57%0.06718%0.176CC..G310 helixtrans-73.3-9.7-179.968.90000113.2C138 L307 I308 G309 G310 L314 F317 A353C138-T312 HydrophobicContact CB-CG2 3.68Å; L307-T312 HydrophobicContact CB-CG2 4.27Å; I308-T312 WeakPolarHBondContact O-CG2 3.34Å; G309-T312 PolarHBondContact O-OG1 3.38Å; G310-T312 VanDerWaalsContact C-N 3.29Å; G310-T312 PolarHBondContact O-N 2.69Å; T312-L314 PolarHBondContact O-N 2.87Å; T312-F317 HydrophobicContact CG2-CD1 4.42Å; T312-F317 HydrophobicContact CG2-CE1 3.72Å; T312-F317 HydrophobicContact CG2-CZ 3.86Å; T312-A353 WeakPolarHBondContact OG1-CB 3.36Å
313M94.5Very high95.2Very high85 Ų8532.5 Ų32.542%0.41919%0.194SC..G310 helixtrans-77.3-4.9176.4-58.6-171.6-51.700113.1G310 T311 E352 A353 N354G310-M313 WeakPolarHBondContact O-CB 3.27Å; G310-M313 PolarHBondContact O-N 3.08Å; T311-M313 PolarHBondContact O-N 3.02Å; M313-E352 HydrophobicContact SD-CB 4.23Å; M313-A353 HydrophobicContact CG-CB 3.84Å; M313-N354 HydrophobicContact CE-CB 3.72Å; M313-N354 HydrophobicContact SD-CB 3.66Å
314L95.1Very high95.1Very high19 Ų1929.9 Ų29.910%0.09918%0.182CC..SBendtrans-61.4134178.6-73.3167.9000111I168 C213 V215 V269 T311 T312 G316 F317I168-L314 HydrophobicContact CD1-CD1 4.07Å; C213-L314 HydrophobicContact CB-CD2 4.3Å; V215-L314 HydrophobicContact CG2-CB 4.03Å; V269-L314 HydrophobicContact CG1-CD1 3.71Å; V269-L314 HydrophobicContact CG2-CD1 3.92Å; T311-L314 HydrophobicContact CG2-CD1 4.23Å; T311-L314 WeakPolarHBondContact O-CD1 3.37Å; T311-L314 WeakPolarHBondContact O-CG 3.12Å; T311-L314 PolarHBondContact O-N 2.98Å; T312-L314 PolarHBondContact O-N 2.87Å; L314-G316 PolarHBondContact O-N 3.13Å; L314-F317 HydrophobicContact CB-CB 4.42Å; L314-F317 WeakPolarHBondContact O-CB 3.45Å; L314-F317 PolarHBondContact O-N 2.71Å; L314-F317 VanDerWaalsContact O-N 3.11Å
315P95.6Very high95Very high82 Ų8228.4 Ų28.453%0.53217%0.174SC..THydrogen-bonded Turntrans-58.4134.6179.1-2433.3000111.6F214 V215 F317F214-P315 HydrophobicContact CB-CB 4.13Å; F214-P315 HydrophobicContact CB-CG 4.42Å; V215-P315 PolarHBondContact N-O 2.97Å; P315-F317 VanDerWaalsContact C-N 3.28Å; P315-F317 PolarHBondContact O-N 2.81Å
316G94.4Very high94.9Very high31 Ų3130.1 Ų30.132%0.3218%0.183SC..THydrogen-bonded Turntrans81.2-2.1-178.500000115.2L314 V318 S319 R320L314-G316 PolarHBondContact O-N 3.13Å; G316-V318 PolarHBondContact O-N 3.34Å; G316-S319 WeakPolarHBondContact CA-OG 3.44Å; G316-S319 PolarHBondContact O-N 2.98Å; G316-S319 PolarHBondContact O-OG 2.84Å; G316-R320 WeakPolarHBondContact O-CB 3.48Å; G316-R320 PolarHBondContact O-N 3.26Å
317F95.9Very high94.6Very high1 Ų132.2 Ų32.20%0.00420%0.198CC..Hα-helixtrans-59.6-49.7-177.9-176.1-86.6000112.5L136 V215 L272 F273 L282 L307 T312 L314 P315 R320 L321L136-F317 HydrophobicContact CD2-CZ 4.5Å; V215-F317 HydrophobicContact CG2-CB 4.01Å; V215-F317 HydrophobicContact CG2-CD2 4.12Å; L272-F317 HydrophobicContact CD1-CE2 4.26Å; F273-F317 HydrophobicContact CZ-CD2 4.34Å; F273-F317 HydrophobicContact CZ-CE2 4.25Å; L282-F317 HydrophobicContact CD1-CE2 3.68Å; L282-F317 HydrophobicContact CD1-CZ 3.59Å; L307-F317 HydrophobicContact CD1-CD1 4.19Å; L307-F317 HydrophobicContact CD1-CE1 4.12Å; T312-F317 HydrophobicContact CG2-CD1 4.42Å; T312-F317 HydrophobicContact CG2-CE1 3.72Å; T312-F317 HydrophobicContact CG2-CZ 3.86Å; L314-F317 HydrophobicContact CB-CB 4.42Å; L314-F317 WeakPolarHBondContact O-CB 3.45Å; L314-F317 PolarHBondContact O-N 2.71Å; L314-F317 VanDerWaalsContact O-N 3.11Å; P315-F317 VanDerWaalsContact C-N 3.28Å; P315-F317 PolarHBondContact O-N 2.81Å; F317-R320 PolarHBondContact O-N 2.99Å; F317-L321 HydrophobicContact CE1-CD2 4.01Å; F317-L321 VanDerWaalsContact O-CB 3.3Å; F317-L321 WeakPolarHBondContact O-CB 3.45Å; F317-L321 PolarHBondContact O-N 3.17Å
318V95.5Very high94.3Very high63 Ų6333.1 Ų33.138%0.38220%0.203SC..Hα-helixtrans-64.7-43.2-177.9-173.50000111.7L307 G316 L321 M322 F346L307-V318 HydrophobicContact CD1-CG1 4.45Å; L307-V318 HydrophobicContact CD1-CG2 3.78Å; G316-V318 PolarHBondContact O-N 3.34Å; V318-L321 PolarHBondContact O-N 3.45Å; V318-M322 WeakPolarHBondContact O-CB 3.35Å; V318-M322 PolarHBondContact O-N 3.07Å; V318-F346 HydrophobicContact CG1-CB 4.16Å; V318-F346 HydrophobicContact CG1-CD1 4.32Å; V318-F346 HydrophobicContact CG1-CD2 3.84Å; V318-F346 HydrophobicContact CG1-CE2 4.31Å; V318-F346 HydrophobicContact CG1-CG 3.84Å
319S95.6Very high94.2Very high62 Ų6233 Ų3343%0.43420%0.202SC..Hα-helixtrans-64-46178.947.90000111.6G316 L321 M322 E323G316-S319 WeakPolarHBondContact CA-OG 3.44Å; G316-S319 PolarHBondContact O-N 2.98Å; G316-S319 PolarHBondContact O-OG 2.84Å; S319-L321 PolarHBondContact O-N 2.82Å; S319-M322 PolarHBondContact O-N 2.77Å; S319-E323 WeakPolarHBondContact O-CG 3.29Å; S319-E323 PolarHBondContact O-N 3.24Å
320R95.2Very high94.1Very high3 Ų337.9 Ų37.91%0.01122%0.223CC..Hα-helixtrans-62-45.1176.5176.762.4179.3-72.8-4.3111.2V215 S216 A221 E270 F273 G316 F317 M322 E323 E324V215-R320 HydrophobicContact CG1-CB 3.45Å; V215-R320 VanDerWaalsContact CG1-CB 3.45Å; V215-R320 HydrophobicContact CG1-CG 3.57Å; S216-R320 WeakPolarHBondContact O-CD 3.46Å; S216-R320 PolarHBondContact O-NH1 3.14Å; S216-R320 VanDerWaalsContact O-NH1 3.12Å; A221-R320 VanDerWaalsContact CB-NH1 3.34Å; E270-R320 IonicContact OE1-CZ 2.58Å; E270-R320 IonicContact OE1-NH1 3.79Å; E270-R320 IonicContact OE1-NH2 3.17Å; E270-R320 PolarHBondContact OE1-NH2 3.3Å; E270-R320 IonicContact OE2-CZ 2.78Å; E270-R320 IonicContact OE2-NH1 2.72Å; E270-R320 PolarHBondContact OE2-NH1 3.31Å; E270-R320 IonicContact OE2-NH2 2.79Å; E270-R320 PolarHBondContact OE2-NH2 2.92Å; F273-R320 VanDerWaalsContact CB-NH2 3.3Å; F273-R320 HydrophobicContact CD1-CG 4.08Å; F273-R320 HydrophobicContact CD2-CG 4.23Å; F273-R320 HydrophobicContact CE1-CG 3.86Å; F273-R320 HydrophobicContact CE2-CG 4.02Å; F273-R320 HydrophobicContact CG-CG 4.26Å; F273-R320 HydrophobicContact CZ-CB 4.37Å; F273-R320 HydrophobicContact CZ-CG 3.83Å; G316-R320 WeakPolarHBondContact O-CB 3.48Å; G316-R320 PolarHBondContact O-N 3.26Å; F317-R320 PolarHBondContact O-N 2.99Å; R320-M322 VanDerWaalsContact C-N 3.28Å; R320-M322 PolarHBondContact O-N 3.02Å; R320-E323 PolarHBondContact O-N 2.64Å; R320-E324 HydrophobicContact CG-CG 4.34Å; R320-E324 IonicContact CZ-OE1 3.44Å; R320-E324 VanDerWaalsContact CZ-OE1 3.25Å; R320-E324 IonicContact NE-OE1 3.72Å; R320-E324 PolarHBondContact NE-OE1 3.02Å; R320-E324 IonicContact NH2-OE1 2.79Å; R320-E324 PolarHBondContact NH2-OE1 3.28Å; R320-E324 VanDerWaalsContact O-CG 3.27Å; R320-E324 WeakPolarHBondContact O-CG 3.39Å; R320-E324 PolarHBondContact O-N 3.37Å
321L96Very high94Very high0 Ų040 Ų400%023%0.226CC..Hα-helixtrans-61.1-38.8178.3-172.464000111.6L136 F273 L282 T283 I286 L307 F317 V318 S319 E324 L325 F346L136-L321 HydrophobicContact CD2-CD2 4.15Å; F273-L321 HydrophobicContact CE1-CB 4.46Å; F273-L321 HydrophobicContact CE1-CD1 4.13Å; L282-L321 HydrophobicContact CB-CD1 4.4Å; T283-L321 WeakPolarHBondContact OG1-CD1 3.27Å; I286-L321 HydrophobicContact CD1-CD1 4.25Å; I286-L321 HydrophobicContact CD1-CD2 4.02Å; I286-L321 HydrophobicContact CD1-CG 4.45Å; L307-L321 HydrophobicContact CD1-CD2 4.22Å; L307-L321 HydrophobicContact CD2-CD2 3.82Å; F317-L321 HydrophobicContact CE1-CD2 4.01Å; F317-L321 VanDerWaalsContact O-CB 3.3Å; F317-L321 WeakPolarHBondContact O-CB 3.45Å; F317-L321 PolarHBondContact O-N 3.17Å; V318-L321 PolarHBondContact O-N 3.45Å; S319-L321 PolarHBondContact O-N 2.82Å; L321-E324 PolarHBondContact O-N 3.35Å; L321-L325 HydrophobicContact CG-CD1 4.43Å; L321-L325 WeakPolarHBondContact O-CB 3.41Å; L321-L325 VanDerWaalsContact O-CG 3.26Å; L321-L325 WeakPolarHBondContact O-CG 3.38Å; L321-L325 PolarHBondContact O-N 3.34Å; L321-F346 HydrophobicContact CB-CZ 4.37Å; L321-F346 HydrophobicContact CD2-CE1 3.7Å; L321-F346 HydrophobicContact CD2-CZ 3.89Å; L321-F346 HydrophobicContact CG-CE1 4.32Å; L321-F346 HydrophobicContact CG-CZ 3.99Å
322M95.3Very high93.8Very high81 Ų8145.1 Ų45.140%0.39926%0.259SS..Hα-helixtrans-66.3-41.8175.8-167.6172.8-17700112.8V318 S319 R320 N326 F346V318-M322 WeakPolarHBondContact O-CB 3.35Å; V318-M322 PolarHBondContact O-N 3.07Å; S319-M322 PolarHBondContact O-N 2.77Å; R320-M322 VanDerWaalsContact C-N 3.28Å; R320-M322 PolarHBondContact O-N 3.02Å; M322-N326 PolarHBondContact O-N 3.45Å; M322-N326 PolarHBondContact O-ND2 3.43Å; M322-F346 HydrophobicContact CB-CE2 3.79Å; M322-F346 HydrophobicContact CG-CE2 4.09Å
323E94.5Very high93.5Very high84 Ų8449 Ų4939%0.39328%0.276SS..Hα-helixtrans-59.9-48.8174.4-72.8171.8-168.800110.7H218 S319 R320 N326 S327H218-E323 HydrophobicContact CB-CB 4.48Å; H218-E323 WeakPolarHBondContact CB-OE2 3.17Å; H218-E323 PolarHBondContact N-OE2 2.87Å; S319-E323 WeakPolarHBondContact O-CG 3.29Å; S319-E323 PolarHBondContact O-N 3.24Å; R320-E323 PolarHBondContact O-N 2.64Å; E323-N326 PolarHBondContact O-N 3.12Å; E323-S327 PolarHBondContact O-N 2.72Å; E323-S327 VanDerWaalsContact O-N 3.08Å
324E93.5Very high93.4Very high11 Ų1144.9 Ų44.95%0.05126%0.256CS..Hα-helixtrans-66.7-37.8-179.3-64.8-72.7-174.700112.6H218 F273 T283 R320 L321 N326 S327 L328H218-E324 IonicContact CE1-OE1 3.84Å; H218-E324 IonicContact CE1-OE2 2.74Å; H218-E324 IonicContact CG-OE1 2.72Å; H218-E324 VanDerWaalsContact ND1-CD 3.27Å; H218-E324 IonicContact ND1-OE1 2.72Å; H218-E324 PolarHBondContact ND1-OE1 2.99Å; H218-E324 IonicContact ND1-OE2 3.46Å; H218-E324 PolarHBondContact ND1-OE2 3.24Å; F273-E324 HydrophobicContact CD1-CG 4.03Å; T283-E324 VanDerWaalsContact CG2-C 3.49Å; T283-E324 HydrophobicContact CG2-CB 3.84Å; T283-E324 VanDerWaalsContact OG1-CB 3.32Å; T283-E324 WeakPolarHBondContact OG1-CB 3.45Å; R320-E324 HydrophobicContact CG-CG 4.34Å; R320-E324 IonicContact CZ-OE1 3.44Å; R320-E324 VanDerWaalsContact CZ-OE1 3.25Å; R320-E324 IonicContact NE-OE1 3.72Å; R320-E324 PolarHBondContact NE-OE1 3.02Å; R320-E324 IonicContact NH2-OE1 2.79Å; R320-E324 PolarHBondContact NH2-OE1 3.28Å; R320-E324 VanDerWaalsContact O-CG 3.27Å; R320-E324 WeakPolarHBondContact O-CG 3.39Å; R320-E324 PolarHBondContact O-N 3.37Å; L321-E324 PolarHBondContact O-N 3.35Å; E324-N326 VanDerWaalsContact C-N 3.28Å; E324-N326 PolarHBondContact O-N 3.44Å; E324-S327 WeakPolarHBondContact CA-OG 3.3Å; E324-S327 PolarHBondContact O-N 3.43Å; E324-S327 PolarHBondContact O-OG 3.13Å; E324-S327 PolarHBondContact OE2-OG 3.46Å; E324-L328 WeakPolarHBondContact O-CB 3.39Å; E324-L328 WeakPolarHBondContact O-CG 3.44Å; E324-L328 PolarHBondContact O-N 3.43Å
325L95Very high93.2Very high0 Ų046.9 Ų46.90%027%0.272CS..Hα-helixtrans-60.5-41.4175.2-79.4171.2000111T283 I286 L287 I305 L321 V329 F344 F346T283-L325 HydrophobicContact CG2-CB 4.27Å; T283-L325 HydrophobicContact CG2-CD2 3.6Å; T283-L325 HydrophobicContact CG2-CG 3.81Å; I286-L325 HydrophobicContact CB-CD2 4.25Å; I286-L325 HydrophobicContact CG2-CD2 4.06Å; L287-L325 HydrophobicContact CD2-CD2 3.71Å; L287-L325 HydrophobicContact CG-CD2 3.93Å; I305-L325 HydrophobicContact CD1-CD1 3.77Å; L321-L325 HydrophobicContact CG-CD1 4.43Å; L321-L325 WeakPolarHBondContact O-CB 3.41Å; L321-L325 VanDerWaalsContact O-CG 3.26Å; L321-L325 WeakPolarHBondContact O-CG 3.38Å; L321-L325 PolarHBondContact O-N 3.34Å; L325-V329 WeakPolarHBondContact O-CB 3.37Å; L325-V329 WeakPolarHBondContact O-CG2 3.36Å; L325-V329 PolarHBondContact O-N 2.75Å; L325-F344 HydrophobicContact CB-CD2 4.14Å; L325-F344 HydrophobicContact CB-CE2 4.38Å; L325-F344 HydrophobicContact CB-CG 4.33Å; L325-F344 HydrophobicContact CD1-CB 4.38Å; L325-F344 HydrophobicContact CD1-CD1 4.24Å; L325-F344 HydrophobicContact CD1-CG 4.23Å; L325-F346 HydrophobicContact CD1-CE1 4.5Å; L325-F346 HydrophobicContact CD1-CE2 4.28Å; L325-F346 HydrophobicContact CD1-CZ 3.63Å
326N94Very high92.9Very high36 Ų3650.7 Ų50.719%0.19328%0.28CS..Hα-helixtrans-74.7-27.3-179.5-73.3-63.2000113.3M322 E323 E324 G342M322-N326 PolarHBondContact O-N 3.45Å; M322-N326 PolarHBondContact O-ND2 3.43Å; E323-N326 PolarHBondContact O-N 3.12Å; E324-N326 VanDerWaalsContact C-N 3.28Å; E324-N326 PolarHBondContact O-N 3.44Å; N326-G342 PolarHBondContact OD1-N 3Å; N326-G342 VanDerWaalsContact OD1-N 3.14Å
327S91.2Very high92.8Very high44 Ų4449.2 Ų49.231%0.30827%0.265SS..Hα-helixtrans-79.1-49.8175.366.20000111.8E323 E324 V329 E330E323-S327 PolarHBondContact O-N 2.72Å; E323-S327 VanDerWaalsContact O-N 3.08Å; E324-S327 WeakPolarHBondContact CA-OG 3.3Å; E324-S327 PolarHBondContact O-N 3.43Å; E324-S327 PolarHBondContact O-OG 3.13Å; E324-S327 PolarHBondContact OE2-OG 3.46Å; S327-V329 VanDerWaalsContact C-N 3.32Å; S327-V329 PolarHBondContact O-N 2.71Å; S327-E330 WeakPolarHBondContact O-CB 3.06Å; S327-E330 PolarHBondContact O-N 2.97Å
328L91.2Very high92.5Very high34 Ų3454 Ų5418%0.17829%0.287CS..Hα-helixtrans-71.8-23.6-173.2-64.1-174000113.4T283 T284 L287 E324 E330 L331 F334T283-L328 HydrophobicContact CG2-CB 4.38Å; T283-L328 HydrophobicContact CG2-CD1 3.66Å; T283-L328 HydrophobicContact CG2-CG 4.31Å; T284-L328 HydrophobicContact CG2-CD1 3.89Å; L287-L328 HydrophobicContact CD1-CB 3.81Å; E324-L328 WeakPolarHBondContact O-CB 3.39Å; E324-L328 WeakPolarHBondContact O-CG 3.44Å; E324-L328 PolarHBondContact O-N 3.43Å; L328-E330 PolarHBondContact O-N 3.44Å; L328-L331 HydrophobicContact CB-CD1 4.33Å; L328-L331 HydrophobicContact CD2-CD1 3.76Å; L328-L331 VanDerWaalsContact O-CB 3.27Å; L328-L331 WeakPolarHBondContact O-CB 3.37Å; L328-L331 WeakPolarHBondContact O-CG 3.17Å; L328-L331 PolarHBondContact O-N 2.96Å; L328-F334 WeakPolarHBondContact O-CD2 3.24Å
329V92.2Very high92.3Very high1 Ų154.7 Ų54.71%0.00630%0.3CS..THydrogen-bonded Turntrans-62.4-20.6174.5165.80000112.9L287 L325 S327 L331 K341 F344L287-V329 HydrophobicContact CD1-CG2 3.81Å; L287-V329 HydrophobicContact CD2-CG2 3.35Å; L287-V329 HydrophobicContact CG-CG2 4.23Å; L325-V329 WeakPolarHBondContact O-CB 3.37Å; L325-V329 WeakPolarHBondContact O-CG2 3.36Å; L325-V329 PolarHBondContact O-N 2.75Å; S327-V329 VanDerWaalsContact C-N 3.32Å; S327-V329 PolarHBondContact O-N 2.71Å; V329-L331 VanDerWaalsContact C-N 3.26Å; V329-L331 PolarHBondContact O-N 3.1Å; V329-K341 HydrophobicContact CG1-CB 4.47Å; V329-F344 HydrophobicContact CG2-CE2 3.73Å; V329-F344 HydrophobicContact CG2-CZ 3.58Å
330E90.7Very high92Very high110 Ų11052.2 Ų52.251%0.51428%0.281SS..THydrogen-bonded Turntrans-75.3-16.2175.7-58.7-171.9160.600113S327 L328 K341S327-E330 WeakPolarHBondContact O-CB 3.06Å; S327-E330 PolarHBondContact O-N 2.97Å; L328-E330 PolarHBondContact O-N 3.44Å; E330-K341 WeakPolarHBondContact OE1-CE 3.43Å; E330-K341 IonicContact OE1-NZ 2.84Å; E330-K341 PolarHBondContact OE1-NZ 3.3Å
331L90Very high91.7Very high78 Ų7857.5 Ų57.541%0.40830%0.304SS..SBendtrans-62.8147.5-178.6-67176.4000111.8L328 V329 E333 F334 S335L328-L331 HydrophobicContact CB-CD1 4.33Å; L328-L331 HydrophobicContact CD2-CD1 3.76Å; L328-L331 VanDerWaalsContact O-CB 3.27Å; L328-L331 WeakPolarHBondContact O-CB 3.37Å; L328-L331 WeakPolarHBondContact O-CG 3.17Å; L328-L331 PolarHBondContact O-N 2.96Å; V329-L331 VanDerWaalsContact C-N 3.26Å; V329-L331 PolarHBondContact O-N 3.1Å; L331-E333 PolarHBondContact O-N 3.4Å; L331-E333 VanDerWaalsContact O-N 3.15Å; L331-F334 HydrophobicContact CB-CD2 4.22Å; L331-F334 CarbonylContact O-C 3.55Å; L331-F334 PolarHBondContact O-N 2.85Å; L331-S335 PolarHBondContact O-N 3.15Å
332P89.1Confident91.4Very high111 Ų11160.2 Ų60.272%0.72133%0.333SS*.G310 helixtrans-55.5-34.6-179.5-26.634.4000114.2F334 S335P332-F334 PolarHBondContact O-N 3.26Å; P332-S335 WeakPolarHBondContact O-CB 3.42Å; P332-S335 PolarHBondContact O-N 3.04Å; P332-S335 PolarHBondContact O-OG 2.95Å
333E89.1Confident91.3Very high92 Ų9257.1 Ų57.143%0.4332%0.319SS..G310 helixtrans-55.1-37.5175.8-174.3-179.1168.400111.7R288 L331R288-E333 IonicContact CZ-OE1 2.67Å; R288-E333 IonicContact NE-OE1 3.45Å; R288-E333 PolarHBondContact NE-OE1 3.01Å; R288-E333 IonicContact NH2-OE1 2.73Å; R288-E333 PolarHBondContact NH2-OE1 3.45Å; R288-E333 IonicContact NH2-OE2 2.77Å; L331-E333 PolarHBondContact O-N 3.4Å; L331-E333 VanDerWaalsContact O-N 3.15Å
334F91.6Very high91.3Very high0 Ų053.3 Ų53.30%030%0.301CS..G310 helixtrans-10520.3-176.5-53.6-64.5000113.2T284 L287 R288 L291 L328 L331 P332 K336 L337 Q338T284-F334 HydrophobicContact CG2-CE2 4.48Å; L287-F334 HydrophobicContact CB-CD1 3.76Å; L287-F334 HydrophobicContact CB-CD2 4.46Å; L287-F334 HydrophobicContact CB-CE1 3.54Å; L287-F334 HydrophobicContact CB-CE2 4.27Å; L287-F334 HydrophobicContact CB-CG 4.23Å; L287-F334 HydrophobicContact CB-CZ 3.82Å; L287-F334 HydrophobicContact CD1-CD2 3.91Å; L287-F334 HydrophobicContact CD1-CE2 3.98Å; L287-F334 HydrophobicContact CD1-CG 4.22Å; L287-F334 HydrophobicContact CD1-CZ 4.36Å; R288-F334 HydrophobicContact CG-CE1 3.83Å; R288-F334 HydrophobicContact CG-CZ 4.03Å; L291-F334 HydrophobicContact CD2-CD1 4.35Å; L328-F334 WeakPolarHBondContact O-CD2 3.24Å; L331-F334 HydrophobicContact CB-CD2 4.22Å; L331-F334 CarbonylContact O-C 3.55Å; L331-F334 PolarHBondContact O-N 2.85Å; P332-F334 PolarHBondContact O-N 3.26Å; F334-K336 PolarHBondContact O-N 3.08Å; F334-L337 HydrophobicContact CB-CB 4.44Å; F334-L337 HydrophobicContact CB-CD1 4.44Å; F334-L337 HydrophobicContact CD1-CD1 4.13Å; F334-L337 WeakPolarHBondContact O-CA 3.15Å; F334-L337 WeakPolarHBondContact O-CB 3.43Å; F334-L337 PolarHBondContact O-N 3.26Å; F334-Q338 PolarHBondContact O-N 3.48Å
335S90.9Very high91.4Very high61 Ų6158.6 Ų58.643%0.42732%0.324SS..G310 helixtrans-48.6-37.9176.951.10000113.7L331 P332 L337 Q338L331-S335 PolarHBondContact O-N 3.15Å; P332-S335 WeakPolarHBondContact O-CB 3.42Å; P332-S335 PolarHBondContact O-N 3.04Å; P332-S335 PolarHBondContact O-OG 2.95Å; S335-L337 PolarHBondContact O-N 3.44Å; S335-Q338 WeakPolarHBondContact O-CG 3.04Å; S335-Q338 PolarHBondContact O-N 3.45Å
336K90.8Very high91.5Very high161 Ų16160.9 Ų60.970%0.733%0.334SS*.G310 helixtrans-67-15.8176.7-61.1-177.5-176173.60114.3L291 F334L291-K336 HydrophobicContact CD1-CB 4.02Å; L291-K336 HydrophobicContact CD1-CD 4.18Å; F334-K336 PolarHBondContact O-N 3.08Å
337L91.8Very high91.5Very high1 Ų162 Ų621%0.00534%0.338CS..G310 helixtrans-105.3-2.2-178.7-55.7-174.8000112.9L287 I290 L291 F334 S335 A339 L340L287-L337 HydrophobicContact CB-CD1 4.47Å; L287-L337 HydrophobicContact CD2-CD1 4.49Å; L287-L337 WeakPolarHBondContact O-CD1 2.95Å; I290-L337 HydrophobicContact CB-CD1 4.42Å; I290-L337 HydrophobicContact CG2-CD1 4.24Å; I290-L337 HydrophobicContact CG2-CD2 4.01Å; L291-L337 HydrophobicContact CB-CD1 4.12Å; L291-L337 HydrophobicContact CD1-CD2 4.29Å; L291-L337 HydrophobicContact CD1-CG 4.21Å; F334-L337 HydrophobicContact CB-CB 4.44Å; F334-L337 HydrophobicContact CB-CD1 4.44Å; F334-L337 HydrophobicContact CD1-CD1 4.13Å; F334-L337 WeakPolarHBondContact O-CA 3.15Å; F334-L337 WeakPolarHBondContact O-CB 3.43Å; F334-L337 PolarHBondContact O-N 3.26Å; S335-L337 PolarHBondContact O-N 3.44Å; L337-A339 PolarHBondContact O-N 3.32Å; L337-L340 HydrophobicContact CB-CD1 4.31Å; L337-L340 HydrophobicContact CD2-CD1 3.98Å; L337-L340 VanDerWaalsContact O-CB 3.25Å; L337-L340 WeakPolarHBondContact O-CB 3.31Å; L337-L340 PolarHBondContact O-N 2.85Å
338Q90Very high91.6Very high102 Ų10267 Ų6748%0.47736%0.361SS..G310 helixtrans-55.2-31.6-177.1-74.7177.2-8.400113.5F334 S335 L340 K341F334-Q338 PolarHBondContact O-N 3.48Å; S335-Q338 WeakPolarHBondContact O-CG 3.04Å; S335-Q338 PolarHBondContact O-N 3.45Å; Q338-L340 PolarHBondContact O-N 3.46Å; Q338-L340 VanDerWaalsContact O-N 3.13Å; Q338-K341 WeakPolarHBondContact O-CB 3.4Å; Q338-K341 PolarHBondContact O-N 2.88Å; Q338-K341 VanDerWaalsContact O-N 3.15Å
339A90.4Very high91.6Very high77 Ų7765.9 Ų65.964%0.63636%0.356SS*.G310 helixtrans-66.8-8.2175.700000114.7L337L337-A339 PolarHBondContact O-N 3.32Å
340L90.2Very high91.6Very high10 Ų1070.3 Ų70.35%0.05239%0.385CS..G310 helixtrans-97.3-0.9177.1-54.3179.9000112.6I290 R298 R299 A302 L337 Q338 G342 S343 F344I290-L340 HydrophobicContact CG2-CD1 4.07Å; R298-L340 HydrophobicContact CB-CD1 4.04Å; R299-L340 HydrophobicContact CB-CD2 3.9Å; R299-L340 HydrophobicContact CG-CD2 4.29Å; A302-L340 HydrophobicContact CB-CB 4.44Å; A302-L340 HydrophobicContact CB-CD1 4.1Å; L337-L340 HydrophobicContact CB-CD1 4.31Å; L337-L340 HydrophobicContact CD2-CD1 3.98Å; L337-L340 VanDerWaalsContact O-CB 3.25Å; L337-L340 WeakPolarHBondContact O-CB 3.31Å; L337-L340 PolarHBondContact O-N 2.85Å; Q338-L340 PolarHBondContact O-N 3.46Å; Q338-L340 VanDerWaalsContact O-N 3.13Å; L340-G342 PolarHBondContact O-N 2.89Å; L340-S343 WeakPolarHBondContact CA-OG 3.4Å; L340-S343 PolarHBondContact O-N 3.41Å; L340-S343 PolarHBondContact O-OG 2.92Å; L340-F344 HydrophobicContact CB-CZ 4.27Å; L340-F344 WeakPolarHBondContact O-CE2 3.2Å
341K89.3Confident91.5Very high113 Ų11366 Ų6649%0.49137%0.37SS..THydrogen-bonded Turntrans-56.7128.1176-171.4-179.8-179.6-1740109.9V329 E330 Q338 S343V329-K341 HydrophobicContact CG1-CB 4.47Å; E330-K341 WeakPolarHBondContact OE1-CE 3.43Å; E330-K341 IonicContact OE1-NZ 2.84Å; E330-K341 PolarHBondContact OE1-NZ 3.3Å; Q338-K341 WeakPolarHBondContact O-CB 3.4Å; Q338-K341 PolarHBondContact O-N 2.88Å; Q338-K341 VanDerWaalsContact O-N 3.15Å; K341-S343 VanDerWaalsContact C-N 3.26Å; K341-S343 PolarHBondContact O-N 2.98Å
342G88.8Confident91.7Very high58 Ų5867.8 Ų67.860%0.59838%0.376SS*.THydrogen-bonded Turntrans77.3-4.5-176.700000116N326 L340N326-G342 PolarHBondContact OD1-N 3Å; N326-G342 VanDerWaalsContact OD1-N 3.14Å; L340-G342 PolarHBondContact O-N 2.89Å
343S92.2Very high91.9Very high15 Ų1563.3 Ų63.311%0.10535%0.348CS..  trans-86.9-7.2172.868.80000113.4E303 L340 K341 K345E303-S343 WeakPolarHBondContact CA-O 3.34Å; E303-S343 VanDerWaalsContact CG-O 3.26Å; E303-S343 WeakPolarHBondContact CG-O 3.31Å; L340-S343 WeakPolarHBondContact CA-OG 3.4Å; L340-S343 PolarHBondContact O-N 3.41Å; L340-S343 PolarHBondContact O-OG 2.92Å; K341-S343 VanDerWaalsContact C-N 3.26Å; K341-S343 PolarHBondContact O-N 2.98Å; S343-K345 PolarHBondContact O-N 3.05Å
344F95.7Very high92.1Very high4 Ų460.8 Ų60.82%0.01834%0.338CS..  trans-64.4124.1-179.6-60-69.9000111.8L287 I290 A302 I305 L325 V329 L340L287-F344 HydrophobicContact CD2-CE1 4.24Å; L287-F344 HydrophobicContact CD2-CZ 3.96Å; I290-F344 HydrophobicContact CD1-CE1 4.27Å; A302-F344 HydrophobicContact CB-CD1 3.84Å; A302-F344 HydrophobicContact CB-CE1 3.76Å; A302-F344 VanDerWaalsContact O-CA 3.31Å; A302-F344 WeakPolarHBondContact O-CA 3.3Å; I305-F344 HydrophobicContact CD1-CB 4.33Å; I305-F344 HydrophobicContact CD1-CD1 3.84Å; L325-F344 HydrophobicContact CB-CD2 4.14Å; L325-F344 HydrophobicContact CB-CE2 4.38Å; L325-F344 HydrophobicContact CB-CG 4.33Å; L325-F344 HydrophobicContact CD1-CB 4.38Å; L325-F344 HydrophobicContact CD1-CD1 4.24Å; L325-F344 HydrophobicContact CD1-CG 4.23Å; V329-F344 HydrophobicContact CG2-CE2 3.73Å; V329-F344 HydrophobicContact CG2-CZ 3.58Å; L340-F344 HydrophobicContact CB-CZ 4.27Å; L340-F344 WeakPolarHBondContact O-CE2 3.2Å
345K96.2Very high92.3Very high123 Ų12362.9 Ų62.954%0.53535%0.346SS..  trans-135.6140.3175.5-61.1173.3-176.6171.30110A302 E303 I305 S343A302-K345 PolarHBondContact O-N 3.3Å; E303-K345 WeakPolarHBondContact O-CB 3.15Å; I305-K345 WeakPolarHBondContact CB-O 3.03Å; I305-K345 PolarHBondContact N-O 3.17Å; S343-K345 PolarHBondContact O-N 3.05Å
346F95.9Very high92.5Very high47 Ų4760 Ų6021%0.20633%0.326CS..EExtended strand (participates in β ladder)trans-102.8134.1176.8-64.6-85.6000109.6I305 L307 V318 L321 M322 L325I305-F346 HydrophobicContact CB-CD1 3.82Å; I305-F346 HydrophobicContact CB-CE1 3.96Å; I305-F346 HydrophobicContact CD1-CE1 4.17Å; I305-F346 HydrophobicContact CD1-CZ 4.24Å; I305-F346 HydrophobicContact CG2-CD1 3.63Å; I305-F346 HydrophobicContact CG2-CE1 3.5Å; I305-F346 WeakPolarHBondContact O-CA 3.4Å; L307-F346 HydrophobicContact CD1-CD1 3.8Å; L307-F346 HydrophobicContact CD1-CE1 3.98Å; L307-F346 HydrophobicContact CD2-CD1 4.2Å; L307-F346 HydrophobicContact CD2-CE1 4.01Å; L307-F346 HydrophobicContact CG-CD1 3.87Å; L307-F346 HydrophobicContact CG-CE1 4.14Å; V318-F346 HydrophobicContact CG1-CB 4.16Å; V318-F346 HydrophobicContact CG1-CD1 4.32Å; V318-F346 HydrophobicContact CG1-CD2 3.84Å; V318-F346 HydrophobicContact CG1-CE2 4.31Å; V318-F346 HydrophobicContact CG1-CG 3.84Å; L321-F346 HydrophobicContact CB-CZ 4.37Å; L321-F346 HydrophobicContact CD2-CE1 3.7Å; L321-F346 HydrophobicContact CD2-CZ 3.89Å; L321-F346 HydrophobicContact CG-CE1 4.32Å; L321-F346 HydrophobicContact CG-CZ 3.99Å; M322-F346 HydrophobicContact CB-CE2 3.79Å; M322-F346 HydrophobicContact CG-CE2 4.09Å; L325-F346 HydrophobicContact CD1-CE1 4.5Å; L325-F346 HydrophobicContact CD1-CE2 4.28Å; L325-F346 HydrophobicContact CD1-CZ 3.63Å
347H94.9Very high92.7Very high60 Ų6052.6 Ų52.628%0.27830%0.295SS..EExtended strand (participates in β ladder)trans-89.7142.8171-70.9-84.6000110.3L128 N304 I305 V306 P349L128-H347 HydrophobicContact CD1-CB 3.66Å; L128-H347 HydrophobicContact CD2-CB 4.15Å; N304-H347 PolarHBondContact OD1-NE2 3.5Å; I305-H347 PolarHBondContact O-N 3.49Å; V306-H347 HydrophobicContact CG2-CB 4.33Å; H347-P349 WeakPolarHBondContact O-CD 3.12Å
348N92.9Very high92.9Very high148 Ų14852.5 Ų52.579%0.79130%0.295SS*.  trans-102.7108.3173.3-167.334.6000109.5
349P91.8Very high93.2Very high11 Ų1148.1 Ų48.17%0.07128%0.275CS..  trans-71.1160.1179.130.4-34.2000112.2L128 H347 G351 I356L128-P349 HydrophobicContact CD2-CB 4.25Å; L128-P349 HydrophobicContact CG-CB 4.25Å; H347-P349 WeakPolarHBondContact O-CD 3.12Å; P349-G351 PolarHBondContact O-N 3.5Å; P349-I356 HydrophobicContact CB-CD1 3.6Å; P349-I356 HydrophobicContact CB-CG1 3.91Å; P349-I356 HydrophobicContact CB-CG2 4.14Å; P349-I356 HydrophobicContact CG-CD1 3.72Å; P349-I356 HydrophobicContact CG-CG1 3.58Å; P349-I356 HydrophobicContact CG-CG2 4.34Å
350P90.7Very high93.4Very high95 Ų9544.5 Ų44.562%0.61724%0.244SC*.SBendtrans-75.531.2-173.832.3-38000114.9T127 L359T127-P350 WeakPolarHBondContact O-CD 3.26Å; T127-P350 WeakPolarHBondContact O-CG 3.45Å; P350-L359 HydrophobicContact CG-CD2 4.29Å
351G90Very high93.6Very high19 Ų1944 Ų4420%0.19624%0.242CC..SBendtrans-169.4-177.5-179.300000111.9P349P349-G351 PolarHBondContact O-N 3.5Å
352E93.1Very high93.9Very high115 Ų11538.6 Ų38.654%0.53722%0.218SC..  trans-75.4138.5179.4-57.8-62.5154.700111.3M313 N354 Y355 I356M313-E352 HydrophobicContact SD-CB 4.23Å; E352-N354 WeakPolarHBondContact CB-OD1 3.38Å; E352-N354 PolarHBondContact O-N 2.91Å; E352-N354 PolarHBondContact O-OD1 3.46Å; E352-Y355 HydrophobicContact CB-CD1 4.02Å; E352-Y355 HydrophobicContact CB-CE1 3.47Å; E352-Y355 VanDerWaalsContact CB-CE1 3.47Å; E352-Y355 HydrophobicContact CG-CE1 3.79Å; E352-Y355 PolarHBondContact N-OH 3.15Å; E352-Y355 PolarHBondContact O-N 2.67Å; E352-I356 WeakPolarHBondContact O-CG1 3.27Å; E352-I356 PolarHBondContact O-N 3.19Å
353A93.5Very high94.2Very high17 Ų1738.8 Ų38.814%0.1421%0.205CC..THydrogen-bonded Turntrans-56.3-25.9-173.800000113.7G309 T312 M313 Y355G309-A353 PolarHBondContact N-O 2.92Å; T312-A353 WeakPolarHBondContact OG1-CB 3.36Å; M313-A353 HydrophobicContact CG-CB 3.84Å; A353-Y355 VanDerWaalsContact C-N 3.33Å; A353-Y355 PolarHBondContact O-N 2.85Å
354N93.7Very high94.1Very high39 Ų3938.9 Ų38.921%0.20920%0.204CC..THydrogen-bonded Turntrans-66.7-27.2178.965.9-22.4000114.2K25 M313 E352K25-N354 WeakPolarHBondContact CE-O 3.43Å; K25-N354 PolarHBondContact NZ-O 2.9Å; M313-N354 HydrophobicContact CE-CB 3.72Å; M313-N354 HydrophobicContact SD-CB 3.66Å; E352-N354 WeakPolarHBondContact CB-OD1 3.38Å; E352-N354 PolarHBondContact O-N 2.91Å; E352-N354 PolarHBondContact O-OD1 3.46Å
355Y95Very high93.9Very high44 Ų4439 Ų3917%0.17321%0.206CC..THydrogen-bonded Turntrans-121.48.7-178.566.5-105.4000114.5P34 E352 A353 G357 W358 L359P34-Y355 HydrophobicContact CG-CD1 4.4Å; P34-Y355 HydrophobicContact CG-CG 4.09Å; E352-Y355 HydrophobicContact CB-CD1 4.02Å; E352-Y355 HydrophobicContact CB-CE1 3.47Å; E352-Y355 VanDerWaalsContact CB-CE1 3.47Å; E352-Y355 HydrophobicContact CG-CE1 3.79Å; E352-Y355 PolarHBondContact N-OH 3.15Å; E352-Y355 PolarHBondContact O-N 2.67Å; A353-Y355 VanDerWaalsContact C-N 3.33Å; A353-Y355 PolarHBondContact O-N 2.85Å; Y355-G357 VanDerWaalsContact C-N 3.29Å; Y355-G357 PolarHBondContact O-N 2.9Å; Y355-W358 CarbonylContact O-C 3.53Å; Y355-W358 WeakPolarHBondContact O-CA 3.3Å; Y355-W358 WeakPolarHBondContact O-CB 3.48Å; Y355-W358 PolarHBondContact O-N 3.34Å; Y355-L359 HydrophobicContact CD2-CB 4.33Å; Y355-L359 PolarHBondContact O-N 3.18Å
356I95.6Very high93.7Very high0 Ų036.1 Ų36.10%021%0.205CC..Hα-helixtrans-56.6-40.1178.1-68.4-52.6000113.2A124 T127 I308 P349 E352 W358 L359 G360A124-I356 HydrophobicContact CB-CG2 3.82Å; T127-I356 HydrophobicContact CG2-CG2 4.11Å; I308-I356 HydrophobicContact CG2-CB 4.02Å; I308-I356 HydrophobicContact CG2-CG2 3.76Å; P349-I356 HydrophobicContact CB-CD1 3.6Å; P349-I356 HydrophobicContact CB-CG1 3.91Å; P349-I356 HydrophobicContact CB-CG2 4.14Å; P349-I356 HydrophobicContact CG-CD1 3.72Å; P349-I356 HydrophobicContact CG-CG1 3.58Å; P349-I356 HydrophobicContact CG-CG2 4.34Å; E352-I356 WeakPolarHBondContact O-CG1 3.27Å; E352-I356 PolarHBondContact O-N 3.19Å; I356-W358 VanDerWaalsContact C-N 3.33Å; I356-W358 PolarHBondContact O-N 3.41Å; I356-L359 HydrophobicContact CD1-CD2 4.27Å; I356-L359 PolarHBondContact O-N 3.27Å; I356-G360 PolarHBondContact O-N 3.42Å
357G94Very high93.4Very high6 Ų637.2 Ų37.26%0.06221%0.212CC..Hα-helixtrans-59-45.6174.400000111.9Y355 G360 G361Y355-G357 VanDerWaalsContact C-N 3.29Å; Y355-G357 PolarHBondContact O-N 2.9Å; G357-G360 PolarHBondContact O-N 2.84Å; G357-G361 PolarHBondContact O-N 3.25Å; G357-G361 VanDerWaalsContact O-N 3.08Å
358W96.7Very high93Very high0 Ų043.4 Ų43.40%024%0.242CC..Hα-helixtrans-61.8-44174.5-178.193.1000112.1V16 D18 K25 E31 G33 P34 Y355 I356 G360 G361 A362V16-W358 HydrophobicContact CB-CZ2 4.05Å; V16-W358 HydrophobicContact CG1-CD2 4.46Å; V16-W358 HydrophobicContact CG1-CG 4.3Å; V16-W358 PolarHBondContact O-NE1 2.77Å; D18-W358 HydrophobicContact CB-CB 3.94Å; D18-W358 HydrophobicContact CB-CG 4.34Å; K25-W358 HydrophobicContact CB-CB 4.37Å; K25-W358 HydrophobicContact CB-CG 4.08Å; K25-W358 HydrophobicContact CD-CB 4.45Å; E31-W358 HydrophobicContact CB-CH2 4.22Å; G33-W358 VanDerWaalsContact C-CH2 3.45Å; G33-W358 VanDerWaalsContact O-CH2 3.27Å; G33-W358 WeakPolarHBondContact O-CH2 3.35Å; G33-W358 WeakPolarHBondContact O-CZ3 3.3Å; P34-W358 HydrophobicContact CB-CD2 3.82Å; P34-W358 HydrophobicContact CB-CE3 4.04Å; P34-W358 HydrophobicContact CB-CG 4.36Å; P34-W358 HydrophobicContact CB-CH2 4.4Å; P34-W358 HydrophobicContact CB-CZ2 4.18Å; P34-W358 HydrophobicContact CB-CZ3 4.35Å; P34-W358 HydrophobicContact CG-CD2 4.41Å; P34-W358 HydrophobicContact CG-CE3 4.33Å; Y355-W358 CarbonylContact O-C 3.53Å; Y355-W358 WeakPolarHBondContact O-CA 3.3Å; Y355-W358 WeakPolarHBondContact O-CB 3.48Å; Y355-W358 PolarHBondContact O-N 3.34Å; I356-W358 VanDerWaalsContact C-N 3.33Å; I356-W358 PolarHBondContact O-N 3.41Å; W358-G360 VanDerWaalsContact C-N 3.32Å; W358-G360 PolarHBondContact O-N 3.45Å; W358-G361 CarbonylContact O-C 3.6Å; W358-G361 WeakPolarHBondContact O-CA 3.5Å; W358-G361 PolarHBondContact O-N 2.6Å; W358-G361 VanDerWaalsContact O-N 3.08Å; W358-A362 HydrophobicContact CE3-CB 4.23Å; W358-A362 HydrophobicContact CH2-CB 3.78Å; W358-A362 HydrophobicContact CZ2-CB 4.28Å; W358-A362 HydrophobicContact CZ3-CB 3.74Å; W358-A362 PolarHBondContact O-N 2.91Å
359L96.5Very high92.6Very high10 Ų1039.2 Ų39.25%0.05222%0.223CC..Hα-helixtrans-61.6-41.717917959.7000111.3T32 T127 P350 Y355 I356 G361 A362 I363T32-L359 WeakPolarHBondContact O-CD1 3.49Å; T127-L359 HydrophobicContact CG2-CB 4.04Å; T127-L359 HydrophobicContact CG2-CD2 4Å; T127-L359 HydrophobicContact CG2-CG 3.84Å; P350-L359 HydrophobicContact CG-CD2 4.29Å; Y355-L359 HydrophobicContact CD2-CB 4.33Å; Y355-L359 PolarHBondContact O-N 3.18Å; I356-L359 HydrophobicContact CD1-CD2 4.27Å; I356-L359 PolarHBondContact O-N 3.27Å; L359-G361 VanDerWaalsContact C-N 3.33Å; L359-G361 PolarHBondContact O-N 3.36Å; L359-A362 WeakPolarHBondContact O-CB 3.48Å; L359-A362 PolarHBondContact O-N 3.06Å; L359-A362 VanDerWaalsContact O-N 3.13Å; L359-I363 HydrophobicContact CG-CD1 4.35Å; L359-I363 WeakPolarHBondContact O-CG1 3.29Å; L359-I363 PolarHBondContact O-N 2.85Å
360G95.1Very high92.3Very high0 Ų038.9 Ų38.90%022%0.221CC..Hα-helixtrans-58.3-44.3171.800000112.8M123 I356 G357 W358 A362 I363 F364M123-G360 WeakPolarHBondContact O-CA 3.25Å; I356-G360 PolarHBondContact O-N 3.42Å; G357-G360 PolarHBondContact O-N 2.84Å; W358-G360 VanDerWaalsContact C-N 3.32Å; W358-G360 PolarHBondContact O-N 3.45Å; G360-A362 VanDerWaalsContact C-N 3.3Å; G360-A362 PolarHBondContact O-N 3.14Å; G360-I363 PolarHBondContact O-N 3.22Å; G360-F364 WeakPolarHBondContact O-CB 3.42Å; G360-F364 PolarHBondContact O-N 2.92Å
361G94Very high91.8Very high0 Ų037.1 Ų37.10%021%0.21CC..Hα-helixtrans-63.1-33.9173.300000113.3G357 W358 L359 G365G357-G361 PolarHBondContact O-N 3.25Å; G357-G361 VanDerWaalsContact O-N 3.08Å; W358-G361 CarbonylContact O-C 3.6Å; W358-G361 WeakPolarHBondContact O-CA 3.5Å; W358-G361 PolarHBondContact O-N 2.6Å; W358-G361 VanDerWaalsContact O-N 3.08Å; L359-G361 VanDerWaalsContact C-N 3.33Å; L359-G361 PolarHBondContact O-N 3.36Å; G361-G365 PolarHBondContact O-N 3.33Å
362A95.6Very high91.5Very high0 Ų039.9 Ų39.90%024%0.238CC..Hα-helixtrans-72.2-37.9176.600000113.1V16 A29 G30 W358 L359 G360 A366V16-A362 HydrophobicContact CG2-CB 4.19Å; A29-A362 WeakPolarHBondContact CA-O 3.25Å; G30-A362 PolarHBondContact N-O 2.88Å; W358-A362 HydrophobicContact CE3-CB 4.23Å; W358-A362 HydrophobicContact CH2-CB 3.78Å; W358-A362 HydrophobicContact CZ2-CB 4.28Å; W358-A362 HydrophobicContact CZ3-CB 3.74Å; W358-A362 PolarHBondContact O-N 2.91Å; L359-A362 WeakPolarHBondContact O-CB 3.48Å; L359-A362 PolarHBondContact O-N 3.06Å; L359-A362 VanDerWaalsContact O-N 3.13Å; G360-A362 VanDerWaalsContact C-N 3.3Å; G360-A362 PolarHBondContact O-N 3.14Å; A362-A366 PolarHBondContact O-N 3.32Å
363I94.5Very high91.1Very high62 Ų6241.1 Ų41.132%0.31824%0.238SC..Hα-helixtrans-64.5-49.6171.3-66.6167.2000109.3F126 T127 L359 G360 G365 A366F126-I363 HydrophobicContact CB-CG2 4.43Å; T127-I363 HydrophobicContact CG2-CD1 4.15Å; L359-I363 HydrophobicContact CG-CD1 4.35Å; L359-I363 WeakPolarHBondContact O-CG1 3.29Å; L359-I363 PolarHBondContact O-N 2.85Å; G360-I363 PolarHBondContact O-N 3.22Å; I363-G365 VanDerWaalsContact C-N 3.34Å; I363-G365 PolarHBondContact O-N 3.22Å; I363-A366 WeakPolarHBondContact O-CB 3.5Å; I363-A366 PolarHBondContact O-N 3.19Å; I363-A366 VanDerWaalsContact O-N 3.11Å
364F91.7Very high90.9Very high17 Ų1741.2 Ų41.28%0.07524%0.237CC..Hα-helixtrans-63.6-40-178.9-165.1-91.1000112.6L116 M123 F126 G360 A366 L367 L370L116-F364 HydrophobicContact CD2-CD1 3.46Å; L116-F364 VanDerWaalsContact CD2-CD1 3.46Å; L116-F364 HydrophobicContact CD2-CE1 3.37Å; M123-F364 HydrophobicContact CE-CD2 4.15Å; M123-F364 HydrophobicContact CE-CG 4.24Å; M123-F364 HydrophobicContact SD-CB 3.66Å; M123-F364 HydrophobicContact SD-CD2 4.35Å; M123-F364 HydrophobicContact SD-CG 3.94Å; F126-F364 HydrophobicContact CD1-CD2 4.34Å; F126-F364 HydrophobicContact CD2-CD2 4.41Å; F126-F364 AromaticContact CE1-CD2 3.8Å; F126-F364 HydrophobicContact CE1-CD2 3.8Å; F126-F364 HydrophobicContact CE1-CE2 4.15Å; F126-F364 AromaticContact CE2-CD2 3.87Å; F126-F364 HydrophobicContact CE2-CD2 3.87Å; F126-F364 HydrophobicContact CE2-CE2 4.23Å; F126-F364 AromaticContact CZ-CD2 3.53Å; F126-F364 HydrophobicContact CZ-CD2 3.53Å; F126-F364 AromaticContact CZ-CE2 3.66Å; F126-F364 HydrophobicContact CZ-CE2 3.66Å; G360-F364 WeakPolarHBondContact O-CB 3.42Å; G360-F364 PolarHBondContact O-N 2.92Å; F364-A366 PolarHBondContact O-N 2.82Å; F364-L367 HydrophobicContact CD2-CD1 3.8Å; F364-L367 HydrophobicContact CE2-CD1 4.19Å; F364-L367 HydrophobicContact CG-CD1 4.33Å; F364-L367 WeakPolarHBondContact O-CB 3.47Å; F364-L367 PolarHBondContact O-N 3.42Å; F364-L370 HydrophobicContact CD1-CD1 4.47Å
365G91.1Very high90.8Very high7 Ų740.5 Ų40.57%0.07223%0.233CC..THydrogen-bonded Turntrans-66-15.7176.600000114.3A29 G361 I363 L370A29-G365 VanDerWaalsContact CB-C 3.43Å; G361-G365 PolarHBondContact O-N 3.33Å; I363-G365 VanDerWaalsContact C-N 3.34Å; I363-G365 PolarHBondContact O-N 3.22Å; G365-L370 WeakPolarHBondContact O-CD2 3.07Å
366A92Very high90.7Very high61 Ų6140.5 Ų40.550%0.50424%0.24SC..THydrogen-bonded Turntrans-91.4-6.5174.600000112.7A29 A362 I363 F364A29-A366 HydrophobicContact CB-CB 4.38Å; A362-A366 PolarHBondContact O-N 3.32Å; I363-A366 WeakPolarHBondContact O-CB 3.5Å; I363-A366 PolarHBondContact O-N 3.19Å; I363-A366 VanDerWaalsContact O-N 3.11Å; F364-A366 PolarHBondContact O-N 2.82Å
367L90.1Very high90.5Very high70 Ų7044.7 Ų44.737%0.36626%0.256SS..SBendtrans-77.9142178.3-58.9177.4000111.3F126 F364 C369 L370F126-L367 HydrophobicContact CE1-CD1 4.48Å; F364-L367 HydrophobicContact CD2-CD1 3.8Å; F364-L367 HydrophobicContact CE2-CD1 4.19Å; F364-L367 HydrophobicContact CG-CD1 4.33Å; F364-L367 WeakPolarHBondContact O-CB 3.47Å; F364-L367 PolarHBondContact O-N 3.42Å; L367-C369 PolarHBondContact O-N 3.07Å; L367-C369 VanDerWaalsContact O-N 3.13Å; L367-L370 VanDerWaalsContact O-CB 3.3Å; L367-L370 WeakPolarHBondContact O-CB 3.23Å; L367-L370 PolarHBondContact O-N 3.45Å; L367-L370 VanDerWaalsContact O-N 3.12Å
368E86.2Confident90.3Very high191 Ų19147.7 Ų47.789%0.89328%0.275SS*.THydrogen-bonded Turntrans-62.8-19.5177.3-62.7-178172.500113.5L370 P371E368-L370 VanDerWaalsContact C-N 3.27Å; E368-L370 PolarHBondContact O-N 3.01Å; E368-P371 WeakPolarHBondContact O-CD 3.22Å
369C84.3Confident89.9Confident60 Ų6049.4 Ų49.441%0.40529%0.288SS..THydrogen-bonded Turntrans-80.4-5.2178.869.50000113.8L367 G372L367-C369 PolarHBondContact O-N 3.07Å; L367-C369 VanDerWaalsContact O-N 3.13Å; C369-G372 PolarHBondContact O-N 3.36Å
370L84.2Confident89.6Confident4 Ų449.6 Ų49.62%0.02129%0.288CS..G310 helixtrans-50.3-47.6178.6179.367.6000113.5A14 R85 V87 L116 F364 G365 L367 E368 G372 R373 S374A14-L370 HydrophobicContact CB-CD2 3.96Å; R85-L370 HydrophobicContact CB-CD2 4.32Å; V87-L370 HydrophobicContact CG2-CD1 3.87Å; V87-L370 HydrophobicContact CG2-CD2 4.37Å; L116-L370 HydrophobicContact CB-CD1 4.09Å; L116-L370 HydrophobicContact CD2-CD1 3.63Å; L116-L370 HydrophobicContact CG-CD1 4.48Å; F364-L370 HydrophobicContact CD1-CD1 4.47Å; G365-L370 WeakPolarHBondContact O-CD2 3.07Å; L367-L370 VanDerWaalsContact O-CB 3.3Å; L367-L370 WeakPolarHBondContact O-CB 3.23Å; L367-L370 PolarHBondContact O-N 3.45Å; L367-L370 VanDerWaalsContact O-N 3.12Å; E368-L370 VanDerWaalsContact C-N 3.27Å; E368-L370 PolarHBondContact O-N 3.01Å; L370-G372 VanDerWaalsContact C-N 3.25Å; L370-G372 PolarHBondContact O-N 2.89Å; L370-R373 PolarHBondContact O-N 3.47Å; L370-R373 VanDerWaalsContact O-N 3.1Å; L370-S374 WeakPolarHBondContact O-CB 3.45Å; L370-S374 PolarHBondContact O-N 2.74Å; L370-S374 PolarHBondContact O-OG 2.99Å
371P81.5Confident89.4Confident58 Ų5853.7 Ų53.738%0.37731%0.309SS..G310 helixtrans-63.4-30.9-176.9-18.632.3000113.2E368 R373 S374E368-P371 WeakPolarHBondContact O-CD 3.22Å; P371-R373 VanDerWaalsContact C-N 3.26Å; P371-R373 PolarHBondContact O-N 2.85Å; P371-S374 PolarHBondContact O-OG 2.82Å
372G82.5Confident89.2Confident77 Ų7761 Ų6179%0.79434%0.344SS*.G310 helixtrans-78.5-10.1179.700000113.8C369 L370C369-G372 PolarHBondContact O-N 3.36Å; L370-G372 VanDerWaalsContact C-N 3.25Å; L370-G372 PolarHBondContact O-N 2.89Å
373R85.7Confident88.7Confident141 Ų14165.9 Ų65.953%0.53237%0.37SS..THydrogen-bonded Turntrans-116.8-14.9179.9-65.4-176-177.2-80.95113.2L116 L370 P371L116-R373 HydrophobicContact CD1-CB 4.29Å; L116-R373 WeakPolarHBondContact CD1-O 3.46Å; L370-R373 PolarHBondContact O-N 3.47Å; L370-R373 VanDerWaalsContact O-N 3.1Å; P371-R373 VanDerWaalsContact C-N 3.26Å; P371-R373 PolarHBondContact O-N 2.85Å
374S89Confident88Confident18 Ų1865.3 Ų65.313%0.12638%0.379CS..SBendtrans-81.2146.9175.761.50000111.3S114 L370 P371 S376S114-S374 VanDerWaalsContact CB-OG 3.25Å; S114-S374 WeakPolarHBondContact CB-OG 3.45Å; S114-S374 PolarHBondContact OG-OG 2.96Å; S114-S374 VanDerWaalsContact OG-OG 3.13Å; L370-S374 WeakPolarHBondContact O-CB 3.45Å; L370-S374 PolarHBondContact O-N 2.74Å; L370-S374 PolarHBondContact O-OG 2.99Å; P371-S374 PolarHBondContact O-OG 2.82Å; S374-S376 PolarHBondContact O-N 2.61Å
375L91.2Very high87.4Confident25 Ų2570.1 Ų70.113%0.13141%0.405CS..EExtended strand (participates in β ladder)trans-74.8123.4169.9179.761.8000108.3F107 S114 V115 F380F107-L375 HydrophobicContact CE2-CD2 3.95Å; F107-L375 HydrophobicContact CE2-CG 4.26Å; F107-L375 HydrophobicContact CZ-CB 4.3Å; F107-L375 HydrophobicContact CZ-CD2 4.31Å; F107-L375 HydrophobicContact CZ-CG 4.12Å; F107-L375 VanDerWaalsContact CZ-O 3.32Å; F107-L375 WeakPolarHBondContact CZ-O 3.36Å; S114-L375 CarbonylContact C-O 3.49Å; S114-L375 WeakPolarHBondContact CA-O 3.39Å; S114-L375 WeakPolarHBondContact CB-O 3.33Å; V115-L375 PolarHBondContact N-O 2.83Å; V115-L375 PolarHBondContact O-N 2.96Å; L375-F380 HydrophobicContact CD2-CB 4.11Å; L375-F380 HydrophobicContact CD2-CD2 4.01Å; L375-F380 HydrophobicContact CD2-CG 4.48Å; L375-F380 HydrophobicContact CG-CB 4.31Å
376S92.6Very high87.1Confident44 Ų4470.8 Ų70.831%0.30841%0.407SS..EExtended strand (participates in β ladder)trans-78151.8175.771.20000111.1S374 S378 S379 F380S374-S376 PolarHBondContact O-N 2.61Å; S376-S378 VanDerWaalsContact C-N 3.3Å; S376-S378 PolarHBondContact O-N 2.85Å; S376-S378 PolarHBondContact OG-OG 3.46Å; S376-S379 PolarHBondContact O-N 3.32Å; S376-S379 VanDerWaalsContact OG-CB 3.3Å; S376-S379 WeakPolarHBondContact OG-CB 3.48Å; S376-S379 PolarHBondContact OG-N 3.08Å; S376-F380 PolarHBondContact O-N 2.9Å; S376-F380 VanDerWaalsContact O-N 3.09Å
377R91.8Very high86.3Confident88 Ų8869.2 Ų69.233%0.33239%0.392SS..Hα-helixtrans-57.6-41.8175.3-176.8172.1175.9-94.40.2112.7F107 P113 F380 L381F107-R377 HydrophobicContact CB-CG 4.37Å; F107-R377 HydrophobicContact CD1-CB 3.66Å; F107-R377 HydrophobicContact CD1-CG 3.89Å; F107-R377 HydrophobicContact CE1-CB 4Å; F107-R377 PolarHBondContact O-NE 3.12Å; F107-R377 VanDerWaalsContact O-NE 3.11Å; P113-R377 PolarHBondContact O-N 3.47Å; R377-F380 PolarHBondContact O-N 2.88Å; R377-L381 HydrophobicContact CG-CD1 3.95Å; R377-L381 HydrophobicContact CG-CG 4.29Å; R377-L381 VanDerWaalsContact O-CG 3.28Å; R377-L381 WeakPolarHBondContact O-CG 3.39Å; R377-L381 PolarHBondContact O-N 2.87Å
378S91Very high85.4Confident68 Ų6868.5 Ų68.548%0.47639%0.388SS..Hα-helixtrans-61.1-46178.8520000111.7S376 F380 L381 E382S376-S378 VanDerWaalsContact C-N 3.3Å; S376-S378 PolarHBondContact O-N 2.85Å; S376-S378 PolarHBondContact OG-OG 3.46Å; S378-F380 VanDerWaalsContact C-N 3.32Å; S378-F380 PolarHBondContact O-N 3.4Å; S378-L381 PolarHBondContact O-N 2.62Å; S378-E382 WeakPolarHBondContact O-CG 3.32Å; S378-E382 PolarHBondContact O-N 3.45Å
379S88.4Confident84.4Confident37 Ų3762.1 Ų62.126%0.25936%0.356SS..Hα-helixtrans-62.1-39.5178.4-174.60000112.2S376 N383S376-S379 PolarHBondContact O-N 3.32Å; S376-S379 VanDerWaalsContact OG-CB 3.3Å; S376-S379 WeakPolarHBondContact OG-CB 3.48Å; S376-S379 PolarHBondContact OG-N 3.08Å; S379-N383 WeakPolarHBondContact O-CB 3.46Å; S379-N383 PolarHBondContact O-N 3.11Å; S379-N383 PolarHBondContact O-ND2 2.97Å
380F89.6Confident82.9Confident14 Ų1462.6 Ų62.66%0.06136%0.36CS..Hα-helixtrans-67.9-40.5175.6-178.6-101.2000112.6A103 F107 L375 S376 R377 S378 E382 G384 V386A103-F380 HydrophobicContact CB-CD2 4.44Å; A103-F380 HydrophobicContact CB-CE2 3.88Å; A103-F380 HydrophobicContact CB-CZ 4.13Å; F107-F380 HydrophobicContact CB-CD1 3.67Å; F107-F380 HydrophobicContact CB-CE1 4.07Å; F107-F380 HydrophobicContact CB-CG 4.47Å; F107-F380 HydrophobicContact CD2-CB 3.75Å; F107-F380 AromaticContact CD2-CD1 3.43Å; F107-F380 HydrophobicContact CD2-CD1 3.43Å; F107-F380 VanDerWaalsContact CD2-CD1 3.43Å; F107-F380 AromaticContact CD2-CD2 4Å; F107-F380 HydrophobicContact CD2-CD2 4Å; F107-F380 AromaticContact CD2-CE1 3.97Å; F107-F380 HydrophobicContact CD2-CE1 3.97Å; F107-F380 HydrophobicContact CD2-CE2 4.48Å; F107-F380 AromaticContact CD2-CG 3.42Å; F107-F380 HydrophobicContact CD2-CG 3.42Å; F107-F380 VanDerWaalsContact CD2-CG 3.42Å; F107-F380 HydrophobicContact CD2-CZ 4.46Å; F107-F380 HydrophobicContact CE2-CB 3.86Å; F107-F380 HydrophobicContact CE2-CD1 4.31Å; F107-F380 HydrophobicContact CE2-CD2 4.19Å; F107-F380 AromaticContact CE2-CG 3.85Å; F107-F380 HydrophobicContact CE2-CG 3.85Å; F107-F380 HydrophobicContact CG-CB 4.24Å; F107-F380 AromaticContact CG-CD1 3.81Å; F107-F380 HydrophobicContact CG-CD1 3.81Å; F107-F380 HydrophobicContact CG-CE1 4.46Å; F107-F380 HydrophobicContact CG-CG 4.12Å; F107-F380 HydrophobicContact CZ-CB 4.4Å; L375-F380 HydrophobicContact CD2-CB 4.11Å; L375-F380 HydrophobicContact CD2-CD2 4.01Å; L375-F380 HydrophobicContact CD2-CG 4.48Å; L375-F380 HydrophobicContact CG-CB 4.31Å; S376-F380 PolarHBondContact O-N 2.9Å; S376-F380 VanDerWaalsContact O-N 3.09Å; R377-F380 PolarHBondContact O-N 2.88Å; S378-F380 VanDerWaalsContact C-N 3.32Å; S378-F380 PolarHBondContact O-N 3.4Å; F380-E382 VanDerWaalsContact C-N 3.31Å; F380-E382 PolarHBondContact O-N 3.15Å; F380-G384 WeakPolarHBondContact O-CA 3.5Å; F380-G384 PolarHBondContact O-N 3.14Å; F380-V386 HydrophobicContact CD2-CG2 4.26Å; F380-V386 HydrophobicContact CE2-CG2 3.86Å
381L90.4Very high81.4Confident85 Ų8565 Ų6545%0.44537%0.374SS..Hα-helixtrans-68.1-31.6178.5-70.2175.3000112.8N108 R377 S378N108-L381 WeakPolarHBondContact OD1-CD2 3.44Å; R377-L381 HydrophobicContact CG-CD1 3.95Å; R377-L381 HydrophobicContact CG-CG 4.29Å; R377-L381 VanDerWaalsContact O-CG 3.28Å; R377-L381 WeakPolarHBondContact O-CG 3.39Å; R377-L381 PolarHBondContact O-N 2.87Å; S378-L381 PolarHBondContact O-N 2.62Å
382E89.7Confident79.9Confident154 Ų15466.4 Ų66.472%0.7238%0.376SS*.Hα-helixtrans-75.7-46.6177.2-72.9168.4-166.100112.1S378 F380S378-E382 WeakPolarHBondContact O-CG 3.32Å; S378-E382 PolarHBondContact O-N 3.45Å; F380-E382 VanDerWaalsContact C-N 3.31Å; F380-E382 PolarHBondContact O-N 3.15Å
383N84.5Confident77.9Confident103 Ų10368.9 Ų68.955%0.55137%0.37SS*.Hα-helixtrans-96.9-24.7-171.8-64.3-42.3000113.8S379 L385S379-N383 WeakPolarHBondContact O-CB 3.46Å; S379-N383 PolarHBondContact O-N 3.11Å; S379-N383 PolarHBondContact O-ND2 2.97Å; N383-L385 WeakPolarHBondContact O-CG 3.31Å; N383-L385 PolarHBondContact O-N 3.46Å; N383-L385 VanDerWaalsContact O-N 3.11Å
384G80.6Confident75.5Confident49 Ų4967.4 Ų67.451%0.50537%0.372SS..  trans64.48.2-175.100000115.1F380F380-G384 WeakPolarHBondContact O-CA 3.5Å; F380-G384 PolarHBondContact O-N 3.14Å
385L80Confident73.2Confident118 Ų11871.6 Ų71.662%0.61839%0.39SS*.  trans-116.3138.3-171.8-68.7169.9000111N383N383-L385 WeakPolarHBondContact O-CG 3.31Å; N383-L385 PolarHBondContact O-N 3.46Å; N383-L385 VanDerWaalsContact O-N 3.11Å
386V84Confident71Confident22 Ų2278 Ų7813%0.13342%0.417CS..PPolyproline II helixtrans-95.9119167.2-172.80000107.3R99 A103 F117 F380 D388R99-V386 HydrophobicContact CG-CG1 3.95Å; A103-V386 HydrophobicContact CB-CG2 3.4Å; F117-V386 HydrophobicContact CD2-CG1 3.81Å; F117-V386 HydrophobicContact CE2-CG1 3.65Å; F380-V386 HydrophobicContact CD2-CG2 4.26Å; F380-V386 HydrophobicContact CE2-CG2 3.86Å; V386-D388 PolarHBondContact O-N 3.46Å
387P74.7Confident68.4Low27 Ų2782 Ų8218%0.17543%0.43CS..PPolyproline II helixtrans-61.9130.4176.825-30.7000109.2T391 Q392P387-T391 WeakPolarHBondContact CA-OG1 3.45Å; P387-T391 WeakPolarHBondContact CB-OG1 3.39Å; P387-Q392 HydrophobicContact CB-CG 4.16Å; P387-Q392 HydrophobicContact CG-CG 4.45Å
388D70.7Confident65.8Low55 Ų5582.3 Ų82.329%0.29444%0.439SS..PPolyproline II helixtrans-74160.8169.7-163.719.5000110.8R99 V386 C390 T391 Q392R99-D388 IonicContact CZ-OD1 3.78Å; R99-D388 IonicContact NH1-OD1 3.73Å; R99-D388 PolarHBondContact NH1-OD1 2.91Å; R99-D388 IonicContact NH2-OD1 3.55Å; V386-D388 PolarHBondContact O-N 3.46Å; D388-C390 PolarHBondContact O-N 2.83Å; D388-C390 VanDerWaalsContact O-N 3.13Å; D388-T391 HydrophobicContact CB-CG2 4.2Å; D388-T391 PolarHBondContact N-OG1 3.1Å; D388-T391 PolarHBondContact O-N 3.5Å; D388-T391 PolarHBondContact O-OG1 2.74Å; D388-Q392 PolarHBondContact O-N 2.95Å
389W65.3Low63.5Low57 Ų5783.8 Ų83.822%0.21644%0.441CS..THydrogen-bonded Turntrans-50.6-38.7179.5-66.695.1000113.1E90 R99 F117 A118 T119E90-W389 HydrophobicContact CG-CZ2 4.24Å; E90-W389 PolarHBondContact OE1-NE1 3.3Å; R99-W389 VanDerWaalsContact NH2-NE1 3.13Å; F117-W389 HydrophobicContact CB-CZ2 4.31Å; F117-W389 WeakPolarHBondContact O-CH2 3.5Å; F117-W389 WeakPolarHBondContact O-CZ2 3.35Å; A118-W389 VanDerWaalsContact CA-CH2 3.43Å; T119-W389 HydrophobicContact CG2-CD2 3.62Å; T119-W389 VanDerWaalsContact CG2-CE2 3.43Å; T119-W389 HydrophobicContact CG2-CE3 3.7Å; T119-W389 HydrophobicContact CG2-CG 4.48Å; T119-W389 HydrophobicContact CG2-CH2 3.5Å; T119-W389 HydrophobicContact CG2-CZ2 3.38Å; T119-W389 HydrophobicContact CG2-CZ3 3.65Å
390C53.9Low61.3Low71 Ų7187.2 Ų87.248%0.4846%0.456SS..THydrogen-bonded Turntrans-74.1-31.9177.3-59.50000112.6D388D388-C390 PolarHBondContact O-N 2.83Å; D388-C390 VanDerWaalsContact O-N 3.13Å
391T52.3Low59Low54 Ų5492.3 Ų92.333%0.33148%0.48SS..THydrogen-bonded Turntrans-82.4-19.1-172.162.40000114.3P387 D388 I393 D394 Q395P387-T391 WeakPolarHBondContact CA-OG1 3.45Å; P387-T391 WeakPolarHBondContact CB-OG1 3.39Å; D388-T391 HydrophobicContact CB-CG2 4.2Å; D388-T391 PolarHBondContact N-OG1 3.1Å; D388-T391 PolarHBondContact O-N 3.5Å; D388-T391 PolarHBondContact O-OG1 2.74Å; T391-I393 PolarHBondContact O-N 2.77Å; T391-D394 PolarHBondContact O-N 2.87Å; T391-D394 VanDerWaalsContact O-N 3.12Å; T391-Q395 PolarHBondContact O-N 2.73Å
392Q49.5Very low56.7Low88 Ų8897.1 Ų97.141%0.41149%0.492SS..Hα-helixtrans-62.3-21174.4-75.6-162.1-6.500112.8P387 D388P387-Q392 HydrophobicContact CB-CG 4.16Å; P387-Q392 HydrophobicContact CG-CG 4.45Å; D388-Q392 PolarHBondContact O-N 2.95Å
393I41Very low54.5Low129 Ų12996.5 Ų96.566%0.66249%0.489SS*.Hα-helixtrans-72.6-40.5175.7-60174.6000110.4T391T391-I393 PolarHBondContact O-N 2.77Å
394D36.1Very low52.5Low110 Ų11098.1 Ų98.159%0.58850%0.498SS*.Hα-helixtrans-82.1-30.5-171-71.5-21.6000113.9T391 K396 H397T391-D394 PolarHBondContact O-N 2.87Å; T391-D394 VanDerWaalsContact O-N 3.12Å; D394-K396 VanDerWaalsContact C-N 3.29Å; D394-K396 PolarHBondContact O-N 2.93Å; D394-H397 PolarHBondContact O-N 2.64Å; D394-H397 VanDerWaalsContact O-N 3.08Å
395Q40.7Very low50.7Low106 Ų106101.2 Ų101.250%0.49551%0.507SS..Hα-helixtrans-64.1-32.2-175.9-73.4-171.8-14.100113.3T391 H397 N398 D399T391-Q395 PolarHBondContact O-N 2.73Å; Q395-H397 PolarHBondContact O-N 3.08Å; Q395-N398 PolarHBondContact O-N 3.18Å; Q395-D399 PolarHBondContact O-N 3.47Å
396K43.3Very low48.9Very low160 Ų160101 Ų10170%0.69651%0.511SS*.Hα-helixtrans-63.1-26176.4-79.7-170.7175.1-175.80113.3D394D394-K396 VanDerWaalsContact C-N 3.29Å; D394-K396 PolarHBondContact O-N 2.93Å
397H37.9Very low46.6Very low128 Ų128110.9 Ų110.959%0.59355%0.546SS*.Hα-helixtrans-78-36.8-179.7-125.6-74.4000112D394 Q395 L400 E401D394-H397 PolarHBondContact O-N 2.64Å; D394-H397 VanDerWaalsContact O-N 3.08Å; Q395-H397 PolarHBondContact O-N 3.08Å; H397-L400 PolarHBondContact O-N 3.4Å; H397-E401 PolarHBondContact O-N 3.04Å
398N37.9Very low44.9Very low94 Ų94122 Ų12250%0.50360%0.595SS.*Hα-helixtrans-74.3-29.9-179.9-75.9-16.5000113.4Q395 L400 E401 R402Q395-N398 PolarHBondContact O-N 3.18Å; N398-L400 VanDerWaalsContact C-N 3.28Å; N398-L400 PolarHBondContact O-N 3.49Å; N398-E401 PolarHBondContact O-N 3.29Å; N398-R402 WeakPolarHBondContact O-CG 3.21Å; N398-R402 PolarHBondContact O-N 3.49Å
399D42.1Very low43.6Very low98 Ų98125.4 Ų125.452%0.52461%0.611SS.*Hα-helixtrans-70.3-27.2176.4-73.8-20.4000112.4Q395 Q403Q395-D399 PolarHBondContact O-N 3.47Å; D399-Q403 PolarHBondContact O-N 2.81Å
400L42.6Very low42.5Very low109 Ų109128.9 Ų128.957%0.57163%0.631SS**Hα-helixtrans-71.6-42172.5-73.9162.9000111.2H397 N398 R402 Q403H397-L400 PolarHBondContact O-N 3.4Å; N398-L400 VanDerWaalsContact C-N 3.28Å; N398-L400 PolarHBondContact O-N 3.49Å; L400-R402 VanDerWaalsContact C-N 3.34Å; L400-R402 PolarHBondContact O-N 2.83Å; L400-Q403 PolarHBondContact O-N 2.86Å
401E41.3Very low41.8Very low122 Ų122132.2 Ų132.257%0.5764%0.64SS**Hα-helixtrans-69.5-29.4177.8-69-172.9174.200113.2H397 N398 Q403 D404H397-E401 PolarHBondContact O-N 3.04Å; N398-E401 PolarHBondContact O-N 3.29Å; E401-Q403 VanDerWaalsContact C-N 3.34Å; E401-D404 PolarHBondContact O-N 3.04Å
402R41.9Very low41.2Very low186 Ų186136.8 Ų136.870%0.70266%0.658SS**Hα-helixtrans-72.7-24.6175.6-76.9-177.6179.1-1731113.6N398 L400 T405N398-R402 WeakPolarHBondContact O-CG 3.21Å; N398-R402 PolarHBondContact O-N 3.49Å; L400-R402 VanDerWaalsContact C-N 3.34Å; L400-R402 PolarHBondContact O-N 2.83Å; R402-T405 PolarHBondContact O-OG1 3.15Å
403Q43.2Very low40.7Very low140 Ų140139.8 Ų139.865%0.65467%0.673SS**Hα-helixtrans-76.6-25.9175.6-73.3-174.26.100112.8D399 L400 E401D399-Q403 PolarHBondContact O-N 2.81Å; L400-Q403 PolarHBondContact O-N 2.86Å; E401-Q403 VanDerWaalsContact C-N 3.34Å
404D44Very low40.7Very low138 Ų138140.5 Ų140.574%0.73867%0.674SS**Hα-helixtrans-81.5-16.1-179.2-77.8-20.8000113.9E401E401-D404 PolarHBondContact O-N 3.04Å
405T43.1Very low41Very low113 Ų113142.7 Ų142.769%0.69368%0.68SS**THydrogen-bonded Turntrans-91.6-1.6-177.147.50000115.1R402R402-T405 PolarHBondContact O-OG1 3.15Å
406T40.8Very low41Very low115 Ų115145.5 Ų145.571%0.70669%0.694SS**THydrogen-bonded Turntrans-106.317.8176.435.10000114.5
407R36Very low40.8Very low229 Ų229144.3 Ų144.386%0.86469%0.694SS**  trans-118.564.3168.1-71.8-172.4177.1-177.11.7112.1
408Q39.2Very low41.1Very low260 Ų260145.8 Ų145.8100%1.21570%0.704SS**  trans-140.70149.8-69.4-170.42.500107.2

Retrieved 408 of 408 residues in 132.2 ms (Link to these results)

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