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Phosphoglycerate kinase 2

Catalyzes the reversible conversion of 1,3-diphosphoglycerate to 3-phosphoglycerate and plays a role in glycolysis and gluconeogenesis. Essential for sperm motility and male fertility but not required for the completion of spermatogenesis.

AlphaFold DB , UniProt , Accession Q6RI85, Species PIG (Sus scrofa, Pig), Gene PGK2, Length 417 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
1M65.7Low90.3Very high117 Ų11753.8 Ų53.858%0.57627%0.273SS*.  0137.60-178.1178.5-74.200107.7K6 E412M1-K6 WeakPolarHBondContact SD-CE 3.47Å; M1-E412 HydrophobicContact CE-CB 3.66Å; M1-E412 HydrophobicContact CE-CG 3.52Å; M1-E412 HydrophobicContact SD-CB 4.24Å
2S84.1Confident90.9Very high34 Ų3450 Ų5024%0.23825%0.254CS..  trans-87.7119175.5177.40000109.6S4 K5 E202S2-S4 VanDerWaalsContact C-N 3.25Å; S2-S4 PolarHBondContact O-N 3.19Å; S2-S4 PolarHBondContact OG-OG 3.41Å; S2-K5 PolarHBondContact O-N 3.16Å; S2-K5 WeakPolarHBondContact OG-CG 3.23Å; S2-E202 WeakPolarHBondContact CA-OE1 3.42Å; S2-E202 PolarHBondContact OG-OE1 2.95Å
3L86.8Confident91.4Very high18 Ų1853.7 Ų53.79%0.09427%0.274CS..G310 helixtrans-65.3-33.5178-58.8176.3000110.8K5 L194 F197 A198 L201 E202 L402 V411L3-K5 VanDerWaalsContact C-N 3.33Å; L3-K5 PolarHBondContact O-N 2.98Å; L3-L194 HydrophobicContact CB-CB 4.48Å; L3-L194 HydrophobicContact CB-CD2 4.46Å; L3-L194 HydrophobicContact CD2-CD2 4.08Å; L3-F197 HydrophobicContact CD1-CB 4.11Å; L3-A198 HydrophobicContact CB-CB 4.06Å; L3-L201 HydrophobicContact CD1-CD1 4.34Å; L3-E202 PolarHBondContact N-OE1 3.5Å; L3-L402 HydrophobicContact CD1-CD1 4.08Å; L3-L402 HydrophobicContact CD1-CD2 4.2Å; L3-L402 HydrophobicContact CD1-CG 4.47Å; L3-L402 HydrophobicContact CD2-CD1 3.98Å; L3-V411 HydrophobicContact CD2-CG1 4.39Å
4S82.6Confident91.9Very high60 Ų6050.1 Ų50.142%0.4226%0.256SS..G310 helixtrans-78.2-9.2-178.753.80000114.7S2 E202S2-S4 VanDerWaalsContact C-N 3.25Å; S2-S4 PolarHBondContact O-N 3.19Å; S2-S4 PolarHBondContact OG-OG 3.41Å; S4-E202 PolarHBondContact OG-OE2 3.18Å; S4-E202 VanDerWaalsContact OG-OE2 3.06Å
5K90.4Very high92.4Very high139 Ų13957.3 Ų57.360%0.60429%0.285SS*.G310 helixtrans-102.416.4-179-68.1-174.8-178.4-173.20114.2S2 L3 N416 L417S2-K5 PolarHBondContact O-N 3.16Å; S2-K5 WeakPolarHBondContact OG-CG 3.23Å; L3-K5 VanDerWaalsContact C-N 3.33Å; L3-K5 PolarHBondContact O-N 2.98Å; K5-N416 CarbonylContact O-C 3.58Å; K5-N416 VanDerWaalsContact O-CA 3.32Å; K5-N416 WeakPolarHBondContact O-CA 3.33Å; K5-L417 PolarHBondContact O-N 2.66Å
6K95.3Very high92.7Very high6 Ų656.9 Ų56.93%0.02630%0.3CS..BIsolated β-bridgetrans-80.8143.9176.2-66.6-53.7-167.7171.60111.2M1 T8 L194 V411 E412 L414 N416M1-K6 WeakPolarHBondContact SD-CE 3.47Å; K6-T8 WeakPolarHBondContact O-CG2 3.36Å; K6-T8 PolarHBondContact O-N 3.27Å; K6-L194 HydrophobicContact CB-CD1 4.49Å; K6-L194 HydrophobicContact CG-CD1 4.43Å; K6-V411 WeakPolarHBondContact CE-O 3.37Å; K6-V411 HydrophobicContact CG-CG1 4.27Å; K6-V411 PolarHBondContact NZ-O 2.94Å; K6-E412 PolarHBondContact NZ-O 3.33Å; K6-L414 HydrophobicContact CD-CB 4.1Å; K6-L414 PolarHBondContact NZ-O 3.48Å; K6-N416 WeakPolarHBondContact CD-OD1 3.42Å; K6-N416 PolarHBondContact NZ-OD1 3.5Å
7L97.6Very high93.1Very high14 Ų1458.4 Ų58.47%0.07330%0.304CS..  trans-60126.9172.6179.665000108.7K11 L12 Q183 A185 S186 S415 L417L7-K11 HydrophobicContact CD1-CB 3.96Å; L7-L12 HydrophobicContact CD2-CD1 4.18Å; L7-Q183 HydrophobicContact CD2-CB 4.13Å; L7-A185 HydrophobicContact CB-CB 4.44Å; L7-A185 HydrophobicContact CD2-CB 4.11Å; L7-A185 HydrophobicContact CG-CB 3.87Å; L7-A185 CarbonylContact O-C 3.49Å; L7-A185 WeakPolarHBondContact O-CA 3.37Å; L7-S186 PolarHBondContact O-N 2.93Å; L7-S186 PolarHBondContact O-OG 2.96Å; L7-S415 WeakPolarHBondContact CB-O 3.12Å; L7-S415 PolarHBondContact N-O 3.38Å; L7-L417 HydrophobicContact CD1-CD2 3.82Å
8T97.7Very high93.4Very high16 Ų1657.4 Ų57.410%0.09830%0.295CS..BIsolated β-bridgetrans-109.7155.3-179.959.80000110.7K6 D10 K11 L12 K191K6-T8 WeakPolarHBondContact O-CG2 3.36Å; K6-T8 PolarHBondContact O-N 3.27Å; T8-D10 WeakPolarHBondContact CB-OD1 3.27Å; T8-D10 PolarHBondContact O-N 3.35Å; T8-D10 PolarHBondContact OG1-OD1 3.25Å; T8-K11 CarbonylContact O-C 3.55Å; T8-K11 WeakPolarHBondContact O-CA 3.25Å; T8-K11 PolarHBondContact O-N 3.5Å; T8-K11 WeakPolarHBondContact OG1-CG 3.31Å; T8-L12 PolarHBondContact O-N 2.97Å; T8-K191 HydrophobicContact CG2-CB 4.36Å; T8-K191 HydrophobicContact CG2-CD 3.71Å; T8-K191 HydrophobicContact CG2-CG 3.78Å
9L98.3Very high93.7Very high0 Ų054.4 Ų54.40%028%0.28CS..G310 helixtrans-55.1-35-177.9179.457.8000113.3K11 L12 V14 Y49 V162 S186 F188L9-K11 PolarHBondContact O-N 3.49Å; L9-L12 HydrophobicContact CD1-CD2 4.22Å; L9-L12 PolarHBondContact O-N 3.25Å; L9-V14 HydrophobicContact CD1-CG1 3.92Å; L9-Y49 HydrophobicContact CD1-CD1 4.25Å; L9-Y49 HydrophobicContact CD1-CE1 4.43Å; L9-Y49 HydrophobicContact CD2-CD1 3.88Å; L9-Y49 HydrophobicContact CD2-CG 4.48Å; L9-Y49 HydrophobicContact CG-CD1 3.65Å; L9-Y49 HydrophobicContact CG-CE1 3.96Å; L9-V162 HydrophobicContact CD1-CG2 3.82Å; L9-S186 PolarHBondContact N-O 3.48Å; L9-F188 HydrophobicContact CB-CE1 4.26Å; L9-F188 HydrophobicContact CB-CZ 4.47Å; L9-F188 HydrophobicContact CD2-CE2 4.2Å; L9-F188 HydrophobicContact CD2-CZ 4.3Å; L9-F188 HydrophobicContact CG-CZ 4.42Å
10D96.9Very high93.9Very high55 Ų5551.7 Ų51.729%0.29427%0.266SS..G310 helixtrans-72.1-4.1176.163.1-57000114.7T8 Y49 F188T8-D10 WeakPolarHBondContact CB-OD1 3.27Å; T8-D10 PolarHBondContact O-N 3.35Å; T8-D10 PolarHBondContact OG1-OD1 3.25Å; D10-Y49 WeakPolarHBondContact CA-OH 3.29Å; D10-F188 HydrophobicContact CB-CE1 4Å; D10-F188 HydrophobicContact CB-CZ 4.38Å
11K97.4Very high94.2Very high133 Ų13349.2 Ų49.258%0.57825%0.253SS*.G310 helixtrans-116.84.6174.8-55.1-60.4173.7-163.40112.3L7 T8 L9 L417L7-K11 HydrophobicContact CD1-CB 3.96Å; T8-K11 CarbonylContact O-C 3.55Å; T8-K11 WeakPolarHBondContact O-CA 3.25Å; T8-K11 PolarHBondContact O-N 3.5Å; T8-K11 WeakPolarHBondContact OG1-CG 3.31Å; L9-K11 PolarHBondContact O-N 3.49Å; K11-L417 HydrophobicContact CB-CD2 4Å; K11-L417 HydrophobicContact CG-CD2 4.11Å
12L97.7Very high95.7Very high8 Ų843.6 Ų43.64%0.04223%0.225CC..SBendtrans-101.5128.6178179.267000109.6L7 T8 L9 V14 V160 V162 Q183 A185L7-L12 HydrophobicContact CD2-CD1 4.18Å; T8-L12 PolarHBondContact O-N 2.97Å; L9-L12 HydrophobicContact CD1-CD2 4.22Å; L9-L12 PolarHBondContact O-N 3.25Å; L12-V14 HydrophobicContact CD2-CG1 4.12Å; L12-V14 HydrophobicContact CG-CG1 4.15Å; L12-V14 PolarHBondContact O-N 3.42Å; L12-V160 HydrophobicContact CD1-CB 4.24Å; L12-V160 HydrophobicContact CD1-CG1 4.06Å; L12-V160 HydrophobicContact CD2-CB 4.02Å; L12-V160 HydrophobicContact CD2-CG2 3.92Å; L12-V162 HydrophobicContact CD2-CG2 3.87Å; L12-Q183 HydrophobicContact CD1-CB 3.56Å; L12-Q183 HydrophobicContact CD1-CG 4.25Å; L12-A185 HydrophobicContact CB-CB 4.25Å; L12-A185 HydrophobicContact CD2-CB 3.87Å
13D98Very high96.4Very high98 Ų9842 Ų4252%0.52421%0.214SC..  trans-74.3111.9170.7-178.218.6000110.1K15D13-K15 WeakPolarHBondContact OD1-CB 3.48Å; D13-K15 PolarHBondContact OD1-N 2.96Å
14V98.4Very high96.9Very high3 Ų341.9 Ų41.92%0.01821%0.213CC..  trans-103.3-6.6178.2-61.80000112.5L9 L12 G16 K17 V19 N53 A55L9-V14 HydrophobicContact CD1-CG1 3.92Å; L12-V14 HydrophobicContact CD2-CG1 4.12Å; L12-V14 HydrophobicContact CG-CG1 4.15Å; L12-V14 PolarHBondContact O-N 3.42Å; V14-G16 PolarHBondContact O-N 2.91Å; V14-K17 WeakPolarHBondContact O-CB 3.39Å; V14-K17 PolarHBondContact O-N 3.3Å; V14-V19 HydrophobicContact CB-CG2 4.03Å; V14-V19 HydrophobicContact CG1-CG2 3.93Å; V14-N53 HydrophobicContact CG2-CB 3.7Å; V14-A55 HydrophobicContact CB-CB 4.38Å; V14-A55 VanDerWaalsContact O-CA 3.25Å; V14-A55 WeakPolarHBondContact O-CA 3.37Å
15K98.3Very high97.6Very high158 Ų15839 Ų3969%0.68719%0.193SC*.THydrogen-bonded Turntrans-65.6122.8-170.4-172.3177.4-179.7178.50111.2D13 K17D13-K15 WeakPolarHBondContact OD1-CB 3.48Å; D13-K15 PolarHBondContact OD1-N 2.96Å; K15-K17 PolarHBondContact O-N 3.04Å
16G98.2Very high97.8Very high51 Ų5135 Ų3553%0.52618%0.179SC..THydrogen-bonded Turntrans68.25.4-17600000114.5V14 G54 R56V14-G16 PolarHBondContact O-N 2.91Å; G16-G54 PolarHBondContact N-O 3.46Å; G16-R56 WeakPolarHBondContact O-CB 3.3Å
17K98.5Very high97.8Very high83 Ų8335 Ų3536%0.36118%0.179SC..  trans-93.1149.4-179.6-56.6-59.5-176.6177.10111.7V14 K15 A55 R56 D159 V160V14-K17 WeakPolarHBondContact O-CB 3.39Å; V14-K17 PolarHBondContact O-N 3.3Å; K15-K17 PolarHBondContact O-N 3.04Å; K17-A55 CarbonylContact O-C 3.57Å; K17-R56 PolarHBondContact O-N 2.92Å; K17-D159 WeakPolarHBondContact CA-OD2 3.43Å; K17-D159 HydrophobicContact CB-CB 4.33Å; K17-D159 HydrophobicContact CD-CB 4.11Å; K17-V160 HydrophobicContact CB-CG2 4.34Å
18R98.7Very high97.5Very high40 Ų4037.5 Ų37.515%0.15120%0.196CC..EExtended strand (participates in β ladder)trans-82.8115.3165.6-55.6177-62.7143.88.5107.7R56 C108 K156 G158 D159 V160R18-R56 HydrophobicContact CG-CB 4.44Å; R18-R56 HydrophobicContact CG-CG 4.35Å; R18-C108 WeakPolarHBondContact CD-O 3.43Å; R18-C108 PolarHBondContact NH1-O 2.69Å; R18-K156 PolarHBondContact NH1-O 2.76Å; R18-K156 PolarHBondContact NH2-O 2.94Å; R18-G158 PolarHBondContact NH2-O 2.76Å; R18-G158 CarbonylContact O-C 3.59Å; R18-G158 WeakPolarHBondContact O-CA 3.36Å; R18-D159 IonicContact CZ-OD1 3.35Å; R18-D159 PolarHBondContact N-OD2 3.37Å; R18-D159 IonicContact NE-OD1 3.03Å; R18-D159 PolarHBondContact NE-OD1 3.47Å; R18-D159 IonicContact NE-OD2 3.59Å; R18-D159 IonicContact NH2-OD1 2.79Å; R18-D159 PolarHBondContact NH2-OD1 2.92Å; R18-D159 PolarHBondContact O-N 3.05Å; R18-V160 PolarHBondContact O-N 3.07Å
19V98.9Very high97.2Very high0 Ų039.2 Ų39.20%020%0.204CC..EExtended strand (participates in β ladder)trans-97.5111.7-178.7-177.30000108.6V14 M21 C50 A55 S57 V58 V59 V160 V162V14-V19 HydrophobicContact CB-CG2 4.03Å; V14-V19 HydrophobicContact CG1-CG2 3.93Å; V19-M21 HydrophobicContact CG1-CE 4.41Å; V19-C50 HydrophobicContact CG2-CB 4.48Å; V19-A55 HydrophobicContact CG2-CB 3.96Å; V19-S57 PolarHBondContact N-O 3.26Å; V19-V58 CarbonylContact O-C 3.48Å; V19-V58 WeakPolarHBondContact O-CA 3.22Å; V19-V59 PolarHBondContact O-N 3.48Å; V19-V160 HydrophobicContact CB-CG2 4.33Å; V19-V160 HydrophobicContact CG1-CG2 4.34Å; V19-V160 HydrophobicContact CG2-CG2 3.84Å; V19-V162 HydrophobicContact CG1-CB 4.22Å; V19-V162 HydrophobicContact CG1-CG2 3.55Å
20I98.9Very high96.9Very high0 Ų045.9 Ų45.90%023%0.233CC..EExtended strand (participates in β ladder)trans-85.5122.7166.7-175.7178.6000108.9V59 M61 L154 L157 V160 Y161 V162 V179 L181I20-V59 CarbonylContact C-O 3.52Å; I20-V59 WeakPolarHBondContact CA-O 3.39Å; I20-M61 HydrophobicContact CD1-CE 3.83Å; I20-M61 HydrophobicContact CD1-SD 3.74Å; I20-M61 HydrophobicContact CG1-CE 4.04Å; I20-M61 HydrophobicContact CG1-SD 4.17Å; I20-L154 VanDerWaalsContact CD1-O 3.24Å; I20-L154 WeakPolarHBondContact CD1-O 3.4Å; I20-L157 HydrophobicContact CD1-CB 4.13Å; I20-L157 HydrophobicContact CD1-CD1 4.4Å; I20-V160 WeakPolarHBondContact CG2-O 3.21Å; I20-V160 PolarHBondContact N-O 3.05Å; I20-Y161 HydrophobicContact CG2-CD2 4.18Å; I20-Y161 CarbonylContact O-C 3.51Å; I20-Y161 WeakPolarHBondContact O-CA 3.4Å; I20-V162 PolarHBondContact O-N 3.21Å; I20-V179 HydrophobicContact CG2-CG1 4.32Å; I20-L181 HydrophobicContact CG2-CD1 3.6Å
21M98.9Very high96.5Very high0 Ų053.8 Ų53.80%026%0.259CS..EExtended strand (participates in β ladder)trans-124.5117.9-173.1-174.8-175.6-61.900111.2V19 V23 I47 V58 V59 L60 M61 V162 D164V19-M21 HydrophobicContact CG1-CE 4.41Å; M21-V23 HydrophobicContact CG-CG1 3.81Å; M21-V23 PolarHBondContact O-N 3.28Å; M21-V23 HydrophobicContact SD-CG1 3.84Å; M21-I47 HydrophobicContact SD-CG1 3.99Å; M21-V58 HydrophobicContact CE-CG1 4.27Å; M21-V59 PolarHBondContact N-O 3.28Å; M21-L60 HydrophobicContact CB-CD2 4.01Å; M21-L60 HydrophobicContact CG-CD2 4.26Å; M21-L60 WeakPolarHBondContact O-CA 3.37Å; M21-L60 HydrophobicContact SD-CD2 3.98Å; M21-M61 PolarHBondContact O-N 3.24Å; M21-V162 CarbonylContact C-O 3.5Å; M21-V162 VanDerWaalsContact CA-O 3.22Å; M21-V162 WeakPolarHBondContact CA-O 3.45Å; M21-V162 HydrophobicContact CB-CB 4.26Å; M21-V162 HydrophobicContact CE-CB 4.25Å; M21-V162 HydrophobicContact CE-CG1 4.06Å; M21-V162 HydrophobicContact CG-CB 4.02Å; M21-V162 HydrophobicContact CG-CG1 4.06Å; M21-D164 HydrophobicContact CG-CB 4.41Å; M21-D164 HydrophobicContact SD-CB 4.42Å
22R98.8Very high96.1Very high0 Ų051.6 Ų51.60%025%0.253CS..EExtended strand (participates in β ladder)trans-79.9116.4169.917852-174.4-130.6-16.9109M61 E128 Y161 V162 D164 A165 T168 S175 M176R22-M61 HydrophobicContact CB-CE 3.77Å; R22-M61 HydrophobicContact CB-CG 4.3Å; R22-M61 WeakPolarHBondContact CD-O 3.42Å; R22-E128 IonicContact CZ-OE1 3.32Å; R22-E128 IonicContact NH1-OE1 3.35Å; R22-E128 PolarHBondContact NH1-OE1 3.15Å; R22-E128 IonicContact NH2-OE1 3.47Å; R22-Y161 HydrophobicContact CB-CE2 4.03Å; R22-V162 PolarHBondContact N-O 2.89Å; R22-D164 CarbonylContact O-C 3.37Å; R22-D164 WeakPolarHBondContact O-CA 3.34Å; R22-D164 PolarHBondContact O-N 2.91Å; R22-A165 HydrophobicContact CG-CB 3.83Å; R22-A165 PolarHBondContact O-N 2.81Å; R22-T168 PolarHBondContact NH2-OG1 3.38Å; R22-T168 VanDerWaalsContact NH2-OG1 3.13Å; R22-S175 PolarHBondContact NH1-OG 3.23Å; R22-M176 HydrophobicContact CG-SD 3.58Å; R22-M176 VanDerWaalsContact CG-SD 3.58Å
23V98.6Very high95.8Very high0 Ų057.9 Ų57.90%028%0.282CS..  trans-117.6166.2177.2-63.20000110.4M21 F25 L60 M61 S62 D164M21-V23 HydrophobicContact CG-CG1 3.81Å; M21-V23 PolarHBondContact O-N 3.28Å; M21-V23 HydrophobicContact SD-CG1 3.84Å; V23-F25 HydrophobicContact CB-CD1 4.19Å; V23-F25 HydrophobicContact CB-CE1 3.91Å; V23-F25 HydrophobicContact CB-CZ 4.11Å; V23-F25 HydrophobicContact CG1-CZ 4.45Å; V23-F25 HydrophobicContact CG2-CD1 3.83Å; V23-F25 HydrophobicContact CG2-CD2 3.62Å; V23-F25 HydrophobicContact CG2-CE1 3.7Å; V23-F25 HydrophobicContact CG2-CE2 3.51Å; V23-F25 HydrophobicContact CG2-CG 3.8Å; V23-F25 HydrophobicContact CG2-CZ 3.56Å; V23-L60 HydrophobicContact CG1-CD2 3.79Å; V23-L60 HydrophobicContact CG2-CB 4.48Å; V23-L60 HydrophobicContact CG2-CD2 4.4Å; V23-M61 PolarHBondContact N-O 2.91Å; V23-S62 PolarHBondContact O-OG 3.02Å; V23-D164 HydrophobicContact CG1-CB 4.47Å
24D96.4Very high95.7Very high15 Ų1554.5 Ų54.58%0.0827%0.265CS..  trans-10981.5175.6-174.67.2000110.6N26 R39 H63 A165D24-N26 VanDerWaalsContact C-N 3.27Å; D24-N26 PolarHBondContact O-N 2.96Å; D24-N26 VanDerWaalsContact OD1-CB 3.29Å; D24-N26 WeakPolarHBondContact OD1-CB 3.48Å; D24-N26 PolarHBondContact OD1-N 3.31Å; D24-R39 WeakPolarHBondContact O-CB 3.39Å; D24-R39 IonicContact OD2-CZ 3.81Å; D24-R39 IonicContact OD2-NH1 3.47Å; D24-R39 PolarHBondContact OD2-NH1 2.77Å; D24-H63 IonicContact OD1-CE1 3.11Å; D24-A165 HydrophobicContact CB-CB 4.08Å
25F97.4Very high95.4Very high0 Ų058.6 Ų58.60%029%0.29CS..  trans-9329.1173.5-61.4-18.7000113.1V23 V27 I40 S43 I47 L60 S62 L78 V81 L85 L118V23-F25 HydrophobicContact CB-CD1 4.19Å; V23-F25 HydrophobicContact CB-CE1 3.91Å; V23-F25 HydrophobicContact CB-CZ 4.11Å; V23-F25 HydrophobicContact CG1-CZ 4.45Å; V23-F25 HydrophobicContact CG2-CD1 3.83Å; V23-F25 HydrophobicContact CG2-CD2 3.62Å; V23-F25 HydrophobicContact CG2-CE1 3.7Å; V23-F25 HydrophobicContact CG2-CE2 3.51Å; V23-F25 HydrophobicContact CG2-CG 3.8Å; V23-F25 HydrophobicContact CG2-CZ 3.56Å; F25-V27 PolarHBondContact O-N 3.25Å; F25-I40 HydrophobicContact CD1-CB 4.37Å; F25-I40 HydrophobicContact CD1-CG1 3.95Å; F25-I40 HydrophobicContact CE1-CB 4.2Å; F25-I40 HydrophobicContact CE1-CG1 4.24Å; F25-I40 HydrophobicContact CE1-CG2 4.1Å; F25-I40 HydrophobicContact CG-CG1 4.33Å; F25-I40 HydrophobicContact CZ-CG2 4.2Å; F25-S43 WeakPolarHBondContact CE1-OG 3.33Å; F25-I47 HydrophobicContact CZ-CD1 4.35Å; F25-L60 HydrophobicContact CE2-CD1 4.32Å; F25-S62 WeakPolarHBondContact CA-OG 3.24Å; F25-S62 WeakPolarHBondContact CB-OG 3.43Å; F25-S62 PolarHBondContact N-OG 3.36Å; F25-L78 HydrophobicContact CB-CD2 4.28Å; F25-V81 HydrophobicContact CB-CG1 3.82Å; F25-V81 HydrophobicContact CD2-CG1 3.48Å; F25-V81 VanDerWaalsContact CD2-CG1 3.48Å; F25-V81 HydrophobicContact CE2-CG1 4.18Å; F25-V81 HydrophobicContact CG-CG1 3.81Å; F25-L85 HydrophobicContact CE2-CD2 4.15Å; F25-L85 HydrophobicContact CZ-CD1 4.41Å; F25-L85 HydrophobicContact CZ-CD2 4.45Å; F25-L118 HydrophobicContact CD2-CD1 4.08Å; F25-L118 HydrophobicContact CE2-CD1 4.15Å
26N95.8Very high95.1Very high55 Ų5554.6 Ų54.629%0.29428%0.276SS..  trans-7569.6170.6-174.246.9000110.7D24 R39 H63 G65D24-N26 VanDerWaalsContact C-N 3.27Å; D24-N26 PolarHBondContact O-N 2.96Å; D24-N26 VanDerWaalsContact OD1-CB 3.29Å; D24-N26 WeakPolarHBondContact OD1-CB 3.48Å; D24-N26 PolarHBondContact OD1-N 3.31Å; N26-R39 WeakPolarHBondContact O-CD 3.04Å; N26-R39 PolarHBondContact O-NE 2.82Å; N26-H63 PolarHBondContact N-O 2.7Å; N26-G65 PolarHBondContact OD1-N 2.68Å
27V94Very high94.9Very high6 Ų653.8 Ų53.84%0.03626%0.26CS..  trans-88.3149.2-176.9-67.70000111.7F25 M29 V34 R39 I40 L64 V81F25-V27 PolarHBondContact O-N 3.25Å; V27-M29 HydrophobicContact CG2-CE 3.87Å; V27-M29 HydrophobicContact CG2-CG 4.37Å; V27-V34 HydrophobicContact CB-CG1 4.14Å; V27-V34 HydrophobicContact CG2-CG1 3.95Å; V27-V34 HydrophobicContact CG2-CG2 3.94Å; V27-R39 HydrophobicContact CG1-CB 3.95Å; V27-R39 HydrophobicContact CG1-CG 4.49Å; V27-I40 HydrophobicContact CG1-CD1 4.23Å; V27-I40 HydrophobicContact CG1-CG1 3.95Å; V27-L64 WeakPolarHBondContact O-CD1 3.48Å; V27-V81 HydrophobicContact CG2-CG2 3.9Å
28P91.8Very high94.5Very high67 Ų6755 Ų5544%0.43527%0.267SS..  trans-66.2137.2170.729.8-34.4000110.1T35 N36P28-T35 PolarHBondContact O-N 3.17Å; P28-T35 PolarHBondContact O-OG1 3.28Å; P28-N36 HydrophobicContact CG-CB 3.67Å
29M91.6Very high94.2Very high51 Ų5157.3 Ų57.325%0.25128%0.275SS..EExtended strand (participates in β ladder)trans-127.6146.6178.6-64.5-170.2-172.800111.5V27 Q33 L64 V81V27-M29 HydrophobicContact CG2-CE 3.87Å; V27-M29 HydrophobicContact CG2-CG 4.37Å; M29-Q33 VanDerWaalsContact CA-O 3.27Å; M29-Q33 WeakPolarHBondContact CA-O 3.32Å; M29-L64 HydrophobicContact CE-CD1 3.72Å; M29-L64 HydrophobicContact CE-CD2 3.14Å; M29-L64 HydrophobicContact CE-CG 4.05Å; M29-L64 HydrophobicContact SD-CD2 3.71Å; M29-V81 HydrophobicContact CE-CG2 3.45Å; M29-V81 VanDerWaalsContact CE-CG2 3.45Å
30K91.4Very high94.1Very high140 Ų14057.3 Ų57.361%0.60928%0.275SS*.EExtended strand (participates in β ladder)trans-134.3124.7168.2-174.9176.1-177.5178.20108.1N32 Q33 T35K30-N32 VanDerWaalsContact C-N 3.3Å; K30-N32 PolarHBondContact O-N 3.3Å; K30-Q33 PolarHBondContact N-O 3.29Å; K30-Q33 PolarHBondContact O-N 2.84Å; K30-T35 HydrophobicContact CB-CG2 3.6Å
31R89.1Confident93.9Very high222 Ų22262.2 Ų62.284%0.83830%0.297SS*.THydrogen-bonded Turntrans50.847.9180-58.4175.8179.5176.3-2112.5Q33R31-Q33 PolarHBondContact O-N 3.18Å; R31-Q33 VanDerWaalsContact O-N 3.16Å
32N87.8Confident93.7Very high86 Ų8663.9 Ų63.946%0.4631%0.31SS..THydrogen-bonded Turntrans56.226.9-177.8-63.8-6.6000114.9K30 D74 P80K30-N32 VanDerWaalsContact C-N 3.3Å; K30-N32 PolarHBondContact O-N 3.3Å; N32-D74 PolarHBondContact ND2-O 3.44Å; N32-D74 PolarHBondContact OD1-O 2.81Å; N32-P80 HydrophobicContact CB-CG 4.12Å; N32-P80 VanDerWaalsContact O-CB 3.3Å; N32-P80 WeakPolarHBondContact O-CB 3.23Å
33Q93.2Very high93.6Very high141 Ų14163.9 Ų63.966%0.65931%0.311SS*.EExtended strand (participates in β ladder)trans-118135.9170.1-63.6179.722.800109.8M29 K30 R31 T35M29-Q33 VanDerWaalsContact CA-O 3.27Å; M29-Q33 WeakPolarHBondContact CA-O 3.32Å; K30-Q33 PolarHBondContact N-O 3.29Å; K30-Q33 PolarHBondContact O-N 2.84Å; R31-Q33 PolarHBondContact O-N 3.18Å; R31-Q33 VanDerWaalsContact O-N 3.16Å; Q33-T35 PolarHBondContact O-N 2.94Å
34V95Very high93.6Very high27 Ų2764.4 Ų64.416%0.16431%0.313CS..EExtended strand (participates in β ladder)trans-67.1117.5174.1177.80000108.5V27 N36 N37 I40 V81 E84V27-V34 HydrophobicContact CB-CG1 4.14Å; V27-V34 HydrophobicContact CG2-CG1 3.95Å; V27-V34 HydrophobicContact CG2-CG2 3.94Å; V34-N36 WeakPolarHBondContact CG1-O 3.04Å; V34-N37 HydrophobicContact CG1-CB 4.05Å; V34-I40 HydrophobicContact CG1-CD1 4.27Å; V34-I40 HydrophobicContact CG2-CD1 4.46Å; V34-V81 HydrophobicContact CG2-CG2 4.32Å; V34-E84 HydrophobicContact CB-CG 4.42Å; V34-E84 HydrophobicContact CG2-CB 4.23Å; V34-E84 HydrophobicContact CG2-CG 4.45Å
35T92.7Very high93.7Very high89 Ų8967 Ų6755%0.54633%0.331SS..SBendtrans-91-19.9-179.657.60000113P28 K30 Q33P28-T35 PolarHBondContact O-N 3.17Å; P28-T35 PolarHBondContact O-OG1 3.28Å; K30-T35 HydrophobicContact CB-CG2 3.6Å; Q33-T35 PolarHBondContact O-N 2.94Å
36N90.5Very high93.8Very high74 Ų7467 Ų6740%0.39633%0.331SS..  trans-144.7114.5171.8-178-16.9000109.5P28 V34 Q38P28-N36 HydrophobicContact CG-CB 3.67Å; V34-N36 WeakPolarHBondContact CG1-O 3.04Å; N36-Q38 WeakPolarHBondContact OD1-CB 3.45Å; N36-Q38 PolarHBondContact OD1-N 2.94Å
37N94Very high93.9Very high33 Ų3364.3 Ų64.318%0.17632%0.317CS..  trans-93.110.4-177.765.59.4000114.1V34 R39 I40 K41 E84 L88V34-N37 HydrophobicContact CG1-CB 4.05Å; N37-R39 VanDerWaalsContact C-N 3.29Å; N37-R39 PolarHBondContact O-N 3.26Å; N37-I40 HydrophobicContact CB-CD1 4.26Å; N37-I40 WeakPolarHBondContact O-CB 3.48Å; N37-I40 PolarHBondContact O-N 2.62Å; N37-K41 PolarHBondContact O-N 2.84Å; N37-K41 WeakPolarHBondContact OD1-CD 3.46Å; N37-K41 WeakPolarHBondContact OD1-CE 3.45Å; N37-K41 PolarHBondContact OD1-NZ 2.92Å; N37-E84 HydrophobicContact CB-CG 4.07Å; N37-E84 PolarHBondContact ND2-OE1 3.33Å; N37-L88 HydrophobicContact CB-CD1 4.32Å
38Q90.4Very high94.1Very high108 Ų10869.3 Ų69.351%0.50534%0.335SS..Hα-helixtrans-56.6-40.4-176.5-176.1179.510.300112.6N36 I40 K41 A42N36-Q38 WeakPolarHBondContact OD1-CB 3.45Å; N36-Q38 PolarHBondContact OD1-N 2.94Å; Q38-I40 VanDerWaalsContact C-N 3.32Å; Q38-I40 PolarHBondContact O-N 2.83Å; Q38-K41 PolarHBondContact O-N 2.95Å; Q38-A42 WeakPolarHBondContact O-CB 3.4Å; Q38-A42 PolarHBondContact O-N 3.03Å
39R92.6Very high94.5Very high89 Ų8968.9 Ų68.934%0.33633%0.325SS..Hα-helixtrans-65.6-35.5176.9-61.5-169.4179-84.9-15.3112.8D24 N26 V27 N37 A42 T394D24-R39 WeakPolarHBondContact O-CB 3.39Å; D24-R39 IonicContact OD2-CZ 3.81Å; D24-R39 IonicContact OD2-NH1 3.47Å; D24-R39 PolarHBondContact OD2-NH1 2.77Å; N26-R39 WeakPolarHBondContact O-CD 3.04Å; N26-R39 PolarHBondContact O-NE 2.82Å; V27-R39 HydrophobicContact CG1-CB 3.95Å; V27-R39 HydrophobicContact CG1-CG 4.49Å; N37-R39 VanDerWaalsContact C-N 3.29Å; N37-R39 PolarHBondContact O-N 3.26Å; R39-A42 PolarHBondContact O-N 3.11Å; R39-T394 PolarHBondContact NH1-O 3.44Å
40I96.8Very high94.8Very high0 Ų066.5 Ų66.50%031%0.313CS..Hα-helixtrans-66.6-48174.9-55.7167.5000109.5F25 V27 V34 N37 Q38 A42 S43 L44 V81 E84 L85 L88F25-I40 HydrophobicContact CD1-CB 4.37Å; F25-I40 HydrophobicContact CD1-CG1 3.95Å; F25-I40 HydrophobicContact CE1-CB 4.2Å; F25-I40 HydrophobicContact CE1-CG1 4.24Å; F25-I40 HydrophobicContact CE1-CG2 4.1Å; F25-I40 HydrophobicContact CG-CG1 4.33Å; F25-I40 HydrophobicContact CZ-CG2 4.2Å; V27-I40 HydrophobicContact CG1-CD1 4.23Å; V27-I40 HydrophobicContact CG1-CG1 3.95Å; V34-I40 HydrophobicContact CG1-CD1 4.27Å; V34-I40 HydrophobicContact CG2-CD1 4.46Å; N37-I40 HydrophobicContact CB-CD1 4.26Å; N37-I40 WeakPolarHBondContact O-CB 3.48Å; N37-I40 PolarHBondContact O-N 2.62Å; Q38-I40 VanDerWaalsContact C-N 3.32Å; Q38-I40 PolarHBondContact O-N 2.83Å; I40-A42 PolarHBondContact O-N 3.14Å; I40-S43 PolarHBondContact O-N 3.14Å; I40-S43 PolarHBondContact O-OG 2.93Å; I40-L44 PolarHBondContact O-N 3.29Å; I40-V81 HydrophobicContact CD1-CG1 3.83Å; I40-V81 HydrophobicContact CG1-CG1 4.13Å; I40-E84 HydrophobicContact CD1-CB 4.1Å; I40-E84 HydrophobicContact CD1-CG 3.71Å; I40-L85 HydrophobicContact CG2-CB 4.35Å; I40-L85 HydrophobicContact CG2-CD1 3.77Å; I40-L88 HydrophobicContact CB-CD1 4.15Å; I40-L88 HydrophobicContact CG2-CD1 3.7Å
41K95.7Very high95.1Very high104 Ų10461.2 Ų61.245%0.45229%0.292SS..Hα-helixtrans-56.9-37.2176.8-74.5177.1175.3163.90112.8N37 Q38 S43 L44 L88N37-K41 PolarHBondContact O-N 2.84Å; N37-K41 WeakPolarHBondContact OD1-CD 3.46Å; N37-K41 WeakPolarHBondContact OD1-CE 3.45Å; N37-K41 PolarHBondContact OD1-NZ 2.92Å; Q38-K41 PolarHBondContact O-N 2.95Å; K41-S43 VanDerWaalsContact C-N 3.28Å; K41-S43 PolarHBondContact O-N 3.27Å; K41-L44 HydrophobicContact CB-CD1 4.4Å; K41-L44 HydrophobicContact CG-CD1 4.22Å; K41-L44 WeakPolarHBondContact O-CB 3.48Å; K41-L44 PolarHBondContact O-N 3.35Å; K41-L88 HydrophobicContact CG-CD1 4.13Å; K41-L88 HydrophobicContact CG-CD2 4.32Å
42A93.9Very high95.6Very high34 Ų3457 Ų5728%0.28129%0.285SS..Hα-helixtrans-66-26-176.900000113.7Q38 R39 I40 L189Q38-A42 WeakPolarHBondContact O-CB 3.4Å; Q38-A42 PolarHBondContact O-N 3.03Å; R39-A42 PolarHBondContact O-N 3.11Å; I40-A42 PolarHBondContact O-N 3.14Å; A42-L189 HydrophobicContact CB-CD1 3.58Å
43S97.3Very high96.1Very high1 Ų156.3 Ų56.31%0.00728%0.282CS..Hα-helixtrans-93.9-10.1175.376.30000113.9F25 I40 K41 P45 S46 I47F25-S43 WeakPolarHBondContact CE1-OG 3.33Å; I40-S43 PolarHBondContact O-N 3.14Å; I40-S43 PolarHBondContact O-OG 2.93Å; K41-S43 VanDerWaalsContact C-N 3.28Å; K41-S43 PolarHBondContact O-N 3.27Å; S43-P45 VanDerWaalsContact C-CD 3.41Å; S43-P45 VanDerWaalsContact C-N 3.33Å; S43-S46 PolarHBondContact O-N 3.18Å; S43-S46 VanDerWaalsContact O-N 3.12Å; S43-I47 WeakPolarHBondContact O-CG1 3.38Å; S43-I47 PolarHBondContact O-N 2.83Å; S43-I47 VanDerWaalsContact O-N 3.11Å
44L98.3Very high96.3Very high11 Ų1151.3 Ų51.36%0.05827%0.268CS..Hα-helixtrans-55.5-39.1179.8-65.4177.7000113.5I40 K41 S46 I47 R48 L85 L88 L89I40-L44 PolarHBondContact O-N 3.29Å; K41-L44 HydrophobicContact CB-CD1 4.4Å; K41-L44 HydrophobicContact CG-CD1 4.22Å; K41-L44 WeakPolarHBondContact O-CB 3.48Å; K41-L44 PolarHBondContact O-N 3.35Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 2.91Å; L44-I47 PolarHBondContact O-N 3Å; L44-R48 WeakPolarHBondContact O-CB 3.27Å; L44-R48 WeakPolarHBondContact O-CG 3.4Å; L44-R48 PolarHBondContact O-N 3.33Å; L44-L85 HydrophobicContact CD2-CD1 3.75Å; L44-L88 HydrophobicContact CD1-CB 4.04Å; L44-L88 HydrophobicContact CD2-CB 4.37Å; L44-L89 HydrophobicContact CD2-CD2 3.72Å; L44-L89 HydrophobicContact CD2-CG 4.01Å
45P98.4Very high96.5Very high68 Ų6850.2 Ų50.244%0.44226%0.262SS..Hα-helixtrans-56.3-42.6176.1-27.837.4000112.8S43 Y49 F188S43-P45 VanDerWaalsContact C-CD 3.41Å; S43-P45 VanDerWaalsContact C-N 3.33Å; P45-Y49 VanDerWaalsContact O-CB 3.26Å; P45-Y49 WeakPolarHBondContact O-CB 3.44Å; P45-Y49 PolarHBondContact O-N 3.01Å; P45-F188 HydrophobicContact CB-CD2 3.95Å
46S98.8Very high96.7Very high0 Ų049.6 Ų49.60%025%0.249CC..Hα-helixtrans-68.7-43.8178.9-55.10000111.5S43 L44 Y49 C50 D164 F188S43-S46 PolarHBondContact O-N 3.18Å; S43-S46 VanDerWaalsContact O-N 3.12Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 2.91Å; S46-Y49 PolarHBondContact O-N 2.73Å; S46-C50 PolarHBondContact O-N 3.37Å; S46-C50 VanDerWaalsContact O-N 3.1Å; S46-C50 PolarHBondContact O-SG 2.78Å; S46-C50 VanDerWaalsContact O-SG 3.36Å; S46-D164 WeakPolarHBondContact CB-OD2 3.26Å; S46-D164 VanDerWaalsContact OG-CG 3.28Å; S46-D164 PolarHBondContact OG-OD2 3.39Å; S46-F188 PolarHBondContact OG-N 3.42Å
47I98.8Very high97.1Very high0 Ų046 Ų460%023%0.231CC..Hα-helixtrans-62.3-49.7179.1-62.6168000110.5M21 F25 S43 L44 Y49 C50 L51 V58 L60 L85 L89M21-I47 HydrophobicContact SD-CG1 3.99Å; F25-I47 HydrophobicContact CZ-CD1 4.35Å; S43-I47 WeakPolarHBondContact O-CG1 3.38Å; S43-I47 PolarHBondContact O-N 2.83Å; S43-I47 VanDerWaalsContact O-N 3.11Å; L44-I47 PolarHBondContact O-N 3Å; I47-Y49 PolarHBondContact O-N 2.93Å; I47-C50 PolarHBondContact O-N 3.27Å; I47-L51 HydrophobicContact CG2-CD1 4.16Å; I47-L51 WeakPolarHBondContact O-CG 3.46Å; I47-L51 PolarHBondContact O-N 3.08Å; I47-V58 HydrophobicContact CG2-CG1 4.44Å; I47-L60 HydrophobicContact CD1-CD1 3.83Å; I47-L60 HydrophobicContact CD1-CD2 3.85Å; I47-L60 HydrophobicContact CG1-CD1 4.47Å; I47-L60 HydrophobicContact CG1-CD2 3.87Å; I47-L85 HydrophobicContact CD1-CD1 4.17Å; I47-L89 HydrophobicContact CG2-CD1 4.09Å; I47-L89 HydrophobicContact CG2-CD2 4Å
48R98.6Very high97.4Very high111 Ų11144.5 Ų44.542%0.41922%0.222SC..Hα-helixtrans-61.9-44179.1-72.3178.1-179.4156.70.6111.2L44 C50 L51 D52 L88 L89L44-R48 WeakPolarHBondContact O-CB 3.27Å; L44-R48 WeakPolarHBondContact O-CG 3.4Å; L44-R48 PolarHBondContact O-N 3.33Å; R48-C50 VanDerWaalsContact C-N 3.33Å; R48-C50 PolarHBondContact O-N 2.72Å; R48-L51 PolarHBondContact O-N 2.87Å; R48-L51 VanDerWaalsContact O-N 3.09Å; R48-D52 WeakPolarHBondContact O-CB 3.45Å; R48-D52 PolarHBondContact O-N 3.45Å; R48-L88 PolarHBondContact NH2-O 3.38Å; R48-L89 HydrophobicContact CG-CD2 4.15Å
49Y98.8Very high97.8Very high58 Ų5839.3 Ų39.323%0.22720%0.198CC..Hα-helixtrans-57.8-43.7177-179.7-86.2000113L9 D10 P45 S46 I47 L51 D52 N53 F188L9-Y49 HydrophobicContact CD1-CD1 4.25Å; L9-Y49 HydrophobicContact CD1-CE1 4.43Å; L9-Y49 HydrophobicContact CD2-CD1 3.88Å; L9-Y49 HydrophobicContact CD2-CG 4.48Å; L9-Y49 HydrophobicContact CG-CD1 3.65Å; L9-Y49 HydrophobicContact CG-CE1 3.96Å; D10-Y49 WeakPolarHBondContact CA-OH 3.29Å; P45-Y49 VanDerWaalsContact O-CB 3.26Å; P45-Y49 WeakPolarHBondContact O-CB 3.44Å; P45-Y49 PolarHBondContact O-N 3.01Å; S46-Y49 PolarHBondContact O-N 2.73Å; I47-Y49 PolarHBondContact O-N 2.93Å; Y49-L51 PolarHBondContact O-N 2.96Å; Y49-D52 PolarHBondContact O-N 3.01Å; Y49-N53 WeakPolarHBondContact CD2-ND2 3.08Å; Y49-N53 VanDerWaalsContact CE2-ND2 3.3Å; Y49-N53 WeakPolarHBondContact CE2-ND2 3.45Å; Y49-N53 VanDerWaalsContact O-CB 3.31Å; Y49-N53 WeakPolarHBondContact O-CB 3.41Å; Y49-N53 PolarHBondContact O-N 3.14Å; Y49-N53 PolarHBondContact O-ND2 3.27Å; Y49-F188 HydrophobicContact CD1-CE2 4.33Å; Y49-F188 HydrophobicContact CD1-CZ 4.07Å; Y49-F188 AromaticContact CD2-CE2 3.9Å; Y49-F188 HydrophobicContact CD2-CE2 3.9Å; Y49-F188 AromaticContact CD2-CZ 3.64Å; Y49-F188 HydrophobicContact CD2-CZ 3.64Å; Y49-F188 HydrophobicContact CE1-CZ 4.49Å; Y49-F188 HydrophobicContact CE2-CZ 4.1Å; Y49-F188 AromaticContact CG-CE2 3.65Å; Y49-F188 HydrophobicContact CG-CE2 3.65Å; Y49-F188 AromaticContact CG-CZ 3.64Å; Y49-F188 HydrophobicContact CG-CZ 3.64Å
50C98.7Very high98.1Very high0 Ų035.1 Ų35.10%018%0.182CC..Hα-helixtrans-58.6-47.8174.7-68.50000111.7V19 S46 I47 R48 N53 G54 A55 V58V19-C50 HydrophobicContact CG2-CB 4.48Å; S46-C50 PolarHBondContact O-N 3.37Å; S46-C50 VanDerWaalsContact O-N 3.1Å; S46-C50 PolarHBondContact O-SG 2.78Å; S46-C50 VanDerWaalsContact O-SG 3.36Å; I47-C50 PolarHBondContact O-N 3.27Å; R48-C50 VanDerWaalsContact C-N 3.33Å; R48-C50 PolarHBondContact O-N 2.72Å; C50-N53 PolarHBondContact O-N 2.78Å; C50-G54 PolarHBondContact O-N 3.49Å; C50-A55 HydrophobicContact CB-CB 4Å; C50-A55 WeakPolarHBondContact O-CB 3.48Å; C50-A55 PolarHBondContact O-N 3.12Å; C50-V58 HydrophobicContact CB-CG2 3.57Å
51L98.4Very high98.2Very high30 Ų3035.1 Ų35.116%0.15718%0.182CC..Hα-helixtrans-63.4-46.5-179.6-65.2172.5000111.9I47 R48 Y49 N53 G54 V58 K91 G114 V116I47-L51 HydrophobicContact CG2-CD1 4.16Å; I47-L51 WeakPolarHBondContact O-CG 3.46Å; I47-L51 PolarHBondContact O-N 3.08Å; R48-L51 PolarHBondContact O-N 2.87Å; R48-L51 VanDerWaalsContact O-N 3.09Å; Y49-L51 PolarHBondContact O-N 2.96Å; L51-N53 VanDerWaalsContact C-N 3.28Å; L51-N53 PolarHBondContact O-N 2.73Å; L51-G54 PolarHBondContact O-N 2.88Å; L51-G54 VanDerWaalsContact O-N 3.13Å; L51-V58 HydrophobicContact CD2-CG2 3.9Å; L51-V58 HydrophobicContact CG-CG2 4.11Å; L51-K91 HydrophobicContact CD1-CD 4.42Å; L51-G114 WeakPolarHBondContact CD2-O 3.27Å; L51-V116 HydrophobicContact CD1-CG2 3.89Å; L51-V116 HydrophobicContact CD2-CG2 4.07Å
52D98.2Very high98.3Very high133 Ų13330.1 Ų30.171%0.71116%0.161SC*.Hα-helixtrans-68.4-28-177.6-63.4-19.7000112R48 Y49 G54R48-D52 WeakPolarHBondContact O-CB 3.45Å; R48-D52 PolarHBondContact O-N 3.45Å; Y49-D52 PolarHBondContact O-N 3.01Å; D52-G54 VanDerWaalsContact C-N 3.3Å
53N98.5Very high98.5Very high72 Ų7228.8 Ų28.839%0.38515%0.148SC..THydrogen-bonded Turntrans-93.217.5175.3-69.7-88.5000113.1V14 Y49 C50 L51V14-N53 HydrophobicContact CG2-CB 3.7Å; Y49-N53 WeakPolarHBondContact CD2-ND2 3.08Å; Y49-N53 VanDerWaalsContact CE2-ND2 3.3Å; Y49-N53 WeakPolarHBondContact CE2-ND2 3.45Å; Y49-N53 VanDerWaalsContact O-CB 3.31Å; Y49-N53 WeakPolarHBondContact O-CB 3.41Å; Y49-N53 PolarHBondContact O-N 3.14Å; Y49-N53 PolarHBondContact O-ND2 3.27Å; C50-N53 PolarHBondContact O-N 2.78Å; L51-N53 VanDerWaalsContact C-N 3.28Å; L51-N53 PolarHBondContact O-N 2.73Å
54G98Very high98.5Very high36 Ų3629 Ų2937%0.37115%0.15SC..THydrogen-bonded Turntrans79.125.9167.500000114.9G16 C50 L51 D52 R56G16-G54 PolarHBondContact N-O 3.46Å; C50-G54 PolarHBondContact O-N 3.49Å; L51-G54 PolarHBondContact O-N 2.88Å; L51-G54 VanDerWaalsContact O-N 3.13Å; D52-G54 VanDerWaalsContact C-N 3.3Å; G54-R56 PolarHBondContact O-N 2.94Å
55A98.6Very high98.4Very high4 Ų429.2 Ų29.23%0.03315%0.154CC..  trans-54136167.600000111V14 K17 V19 C50 S57V14-A55 HydrophobicContact CB-CB 4.38Å; V14-A55 VanDerWaalsContact O-CA 3.25Å; V14-A55 WeakPolarHBondContact O-CA 3.37Å; K17-A55 CarbonylContact O-C 3.57Å; V19-A55 HydrophobicContact CG2-CB 3.96Å; C50-A55 HydrophobicContact CB-CB 4Å; C50-A55 WeakPolarHBondContact O-CB 3.48Å; C50-A55 PolarHBondContact O-N 3.12Å; A55-S57 VanDerWaalsContact C-N 3.31Å
56R98.6Very high98.2Very high75 Ų7534.3 Ų34.328%0.28317%0.165SC..SBendtrans-61.8-44.2174.9176.863.9174.6159.11.7110G16 K17 R18 G54 N110 P111 P112 A113 G114G16-R56 WeakPolarHBondContact O-CB 3.3Å; K17-R56 PolarHBondContact O-N 2.92Å; R18-R56 HydrophobicContact CG-CB 4.44Å; R18-R56 HydrophobicContact CG-CG 4.35Å; G54-R56 PolarHBondContact O-N 2.94Å; R56-N110 PolarHBondContact NH2-OD1 2.86Å; R56-P111 PolarHBondContact NE-O 2.77Å; R56-P111 PolarHBondContact NH2-O 3.27Å; R56-P112 VanDerWaalsContact O-O 3.09Å; R56-A113 VanDerWaalsContact NH1-CA 3.33Å; R56-A113 CarbonylContact O-C 3.52Å; R56-A113 WeakPolarHBondContact O-CA 3.35Å; R56-G114 PolarHBondContact O-N 3.4Å
57S98.7Very high98.1Very high0 Ų034.4 Ų34.40%017%0.165CC..EExtended strand (participates in β ladder)trans-153.9159.8173.658.10000111.6V19 A55 P111 S115V19-S57 PolarHBondContact N-O 3.26Å; A55-S57 VanDerWaalsContact C-N 3.31Å; S57-P111 VanDerWaalsContact CB-CG 3.49Å; S57-P111 WeakPolarHBondContact OG-CG 3.45Å; S57-S115 CarbonylContact C-O 3.53Å; S57-S115 VanDerWaalsContact CA-O 3.22Å; S57-S115 WeakPolarHBondContact CA-O 3.44Å; S57-S115 WeakPolarHBondContact CB-O 3.45Å
58V98.9Very high97.9Very high0 Ų036.9 Ų36.90%018%0.178CC..EExtended strand (participates in β ladder)trans-117.8110.6167.9-1740000107.9V19 M21 I47 C50 L51 L60 S115 V116 I117V19-V58 CarbonylContact O-C 3.48Å; V19-V58 WeakPolarHBondContact O-CA 3.22Å; M21-V58 HydrophobicContact CE-CG1 4.27Å; I47-V58 HydrophobicContact CG2-CG1 4.44Å; C50-V58 HydrophobicContact CB-CG2 3.57Å; L51-V58 HydrophobicContact CD2-CG2 3.9Å; L51-V58 HydrophobicContact CG-CG2 4.11Å; V58-L60 HydrophobicContact CG1-CD2 3.9Å; V58-L60 HydrophobicContact CG1-CG 4.15Å; V58-S115 PolarHBondContact N-O 3.28Å; V58-V116 WeakPolarHBondContact O-CA 3.35Å; V58-I117 PolarHBondContact O-N 2.76Å
59V98.9Very high97.8Very high0 Ų032.5 Ų32.50%017%0.168CC..EExtended strand (participates in β ladder)trans-99.5108.8177.5-174.90000108.5V19 I20 M21 C108 I117 L119 L157V19-V59 PolarHBondContact O-N 3.48Å; I20-V59 CarbonylContact C-O 3.52Å; I20-V59 WeakPolarHBondContact CA-O 3.39Å; M21-V59 PolarHBondContact N-O 3.28Å; V59-C108 HydrophobicContact CG2-CB 4.29Å; V59-I117 HydrophobicContact CG1-CB 4.45Å; V59-I117 HydrophobicContact CG1-CG2 4.48Å; V59-I117 HydrophobicContact CG2-CB 4.38Å; V59-I117 HydrophobicContact CG2-CD1 4.27Å; V59-L119 HydrophobicContact CG1-CD1 4.09Å; V59-L119 HydrophobicContact CG1-CD2 3.94Å; V59-L119 HydrophobicContact CG1-CG 3.95Å; V59-L157 HydrophobicContact CG1-CB 4.32Å
60L98.9Very high97.6Very high0 Ų031.4 Ų31.40%017%0.167CC..EExtended strand (participates in β ladder)trans-94.2133.6-175.6-61.7166.2000110M21 V23 F25 I47 V58 L85 V116 I117 L118 L119M21-L60 HydrophobicContact CB-CD2 4.01Å; M21-L60 HydrophobicContact CG-CD2 4.26Å; M21-L60 WeakPolarHBondContact O-CA 3.37Å; M21-L60 HydrophobicContact SD-CD2 3.98Å; V23-L60 HydrophobicContact CG1-CD2 3.79Å; V23-L60 HydrophobicContact CG2-CB 4.48Å; V23-L60 HydrophobicContact CG2-CD2 4.4Å; F25-L60 HydrophobicContact CE2-CD1 4.32Å; I47-L60 HydrophobicContact CD1-CD1 3.83Å; I47-L60 HydrophobicContact CD1-CD2 3.85Å; I47-L60 HydrophobicContact CG1-CD1 4.47Å; I47-L60 HydrophobicContact CG1-CD2 3.87Å; V58-L60 HydrophobicContact CG1-CD2 3.9Å; V58-L60 HydrophobicContact CG1-CG 4.15Å; L60-L85 HydrophobicContact CD1-CD2 3.38Å; L60-V116 HydrophobicContact CD1-CG1 3.88Å; L60-I117 WeakPolarHBondContact CB-O 3.38Å; L60-I117 PolarHBondContact N-O 3.2Å; L60-L118 HydrophobicContact CB-CD1 3.73Å; L60-L119 WeakPolarHBondContact O-CG 3.49Å; L60-L119 PolarHBondContact O-N 3.42Å
61M98.9Very high97.4Very high0 Ų034.7 Ų34.70%020%0.195CC..EExtended strand (participates in β ladder)trans-130138.9173.468.2177.3171.100110.5I20 M21 R22 V23 L119 L122 L154 Y161 S175 V179I20-M61 HydrophobicContact CD1-CE 3.83Å; I20-M61 HydrophobicContact CD1-SD 3.74Å; I20-M61 HydrophobicContact CG1-CE 4.04Å; I20-M61 HydrophobicContact CG1-SD 4.17Å; M21-M61 PolarHBondContact O-N 3.24Å; R22-M61 HydrophobicContact CB-CE 3.77Å; R22-M61 HydrophobicContact CB-CG 4.3Å; R22-M61 WeakPolarHBondContact CD-O 3.42Å; V23-M61 PolarHBondContact N-O 2.91Å; M61-L119 HydrophobicContact CB-CB 4.47Å; M61-L119 HydrophobicContact CB-CD1 3.88Å; M61-L119 HydrophobicContact CB-CG 4.46Å; M61-L122 HydrophobicContact CB-CD1 3.9Å; M61-L122 HydrophobicContact CB-CD2 4.37Å; M61-L122 HydrophobicContact CB-CG 4.33Å; M61-L122 HydrophobicContact CG-CD1 3.99Å; M61-L122 HydrophobicContact SD-CD1 4.19Å; M61-L122 HydrophobicContact SD-CD2 4.32Å; M61-L154 HydrophobicContact SD-CD1 4.37Å; M61-L154 HydrophobicContact SD-CD2 4.08Å; M61-Y161 HydrophobicContact CE-CD2 4.21Å; M61-Y161 HydrophobicContact CE-CE2 3.59Å; M61-S175 WeakPolarHBondContact CE-O 3.4Å; M61-V179 HydrophobicContact CE-CG2 3.88Å
62S98.6Very high97.2Very high0 Ų036.7 Ų36.70%020%0.204CC..  trans-150.9172.8-177.8-174.30000110.5V23 F25 L122V23-S62 PolarHBondContact O-OG 3.02Å; F25-S62 WeakPolarHBondContact CA-OG 3.24Å; F25-S62 WeakPolarHBondContact CB-OG 3.43Å; F25-S62 PolarHBondContact N-OG 3.36Å; S62-L122 WeakPolarHBondContact O-CD1 3.3Å; S62-L122 WeakPolarHBondContact O-CG 3.22Å; S62-L122 PolarHBondContact O-N 3.09Å
63H98Very high97Very high5 Ų533.7 Ų33.72%0.02319%0.192CC..  trans-111.9162.3164.569.2-73.5000110.4D24 N26 N121 R123 T168D24-H63 IonicContact OD1-CE1 3.11Å; N26-H63 PolarHBondContact N-O 2.7Å; H63-N121 VanDerWaalsContact CA-OD1 3.27Å; H63-N121 WeakPolarHBondContact CA-OD1 3.34Å; H63-R123 HydrophobicContact CB-CG 3.84Å; H63-R123 PolarHBondContact CD2-NH1 2.73Å; H63-R123 PolarHBondContact CD2-NH2 2.85Å; H63-R123 PolarHBondContact NE2-NH2 2.87Å; H63-T168 WeakPolarHBondContact CE1-CG2 3.46Å
64L97.7Very high96.8Very high6 Ų637.1 Ų37.13%0.03121%0.21CC..  trans-141.8129.9169.3-17968.9000110V27 M29 Y76 S77 L78 N121V27-L64 WeakPolarHBondContact O-CD1 3.48Å; M29-L64 HydrophobicContact CE-CD1 3.72Å; M29-L64 HydrophobicContact CE-CD2 3.14Å; M29-L64 HydrophobicContact CE-CG 4.05Å; M29-L64 HydrophobicContact SD-CD2 3.71Å; L64-Y76 HydrophobicContact CG-CD1 4.43Å; L64-S77 VanDerWaalsContact CD2-O 3.26Å; L64-S77 WeakPolarHBondContact CD2-O 3.48Å; L64-L78 HydrophobicContact CB-CD2 3.89Å; L64-L78 HydrophobicContact CB-CG 4.4Å; L64-L78 HydrophobicContact CD2-CD2 4.45Å; L64-N121 PolarHBondContact N-ND2 3.47Å; L64-N121 PolarHBondContact N-OD1 2.82Å; L64-N121 VanDerWaalsContact N-OD1 3.08Å; L64-N121 PolarHBondContact O-ND2 2.94Å
65G95.8Very high96.6Very high15 Ų1541.4 Ų41.416%0.15522%0.219CC..SBendtrans61.5-152.1178.300000113.7N26 R123N26-G65 PolarHBondContact OD1-N 2.68Å; G65-R123 PolarHBondContact O-NH1 3.43Å
66R94.8Very high96.5Very high176 Ų17643.5 Ų43.566%0.66423%0.226SC*.  trans-136.473.1-177.8-62-178.1-171.6174.31.7110.1D68R66-D68 PolarHBondContact O-N 3.31Å
67P95.5Very high96.5Very high2 Ų240.5 Ų40.51%0.01322%0.216CC..  trans-74.5-8.2174.426.7-32.1000114G69 V70 Y76 R123 F124P67-G69 VanDerWaalsContact C-N 3.28Å; P67-G69 PolarHBondContact O-N 2.87Å; P67-V70 VanDerWaalsContact CB-O 3.26Å; P67-V70 WeakPolarHBondContact CB-O 3.27Å; P67-V70 PolarHBondContact O-N 3.46Å; P67-Y76 HydrophobicContact CB-CD2 3.98Å; P67-Y76 HydrophobicContact CG-CD2 4.46Å; P67-R123 HydrophobicContact CG-CB 3.55Å; P67-R123 WeakPolarHBondContact CG-O 3.4Å; P67-F124 HydrophobicContact CB-CD1 3.77Å; P67-F124 HydrophobicContact CB-CE1 3.91Å; P67-F124 HydrophobicContact CG-CD1 3.68Å; P67-F124 HydrophobicContact CG-CE1 3.95Å
68D95.5Very high96.4Very high51 Ų5140.5 Ų40.527%0.27322%0.216SC..THydrogen-bonded Turntrans5140.1177.1-62-19.3000114.1R66 V70 G132 Q133R66-D68 PolarHBondContact O-N 3.31Å; D68-V70 VanDerWaalsContact C-N 3.34Å; D68-G132 CarbonylContact O-C 3.47Å; D68-G132 WeakPolarHBondContact O-CA 3.28Å; D68-Q133 HydrophobicContact CB-CB 4.4Å; D68-Q133 HydrophobicContact CB-CG 4.05Å; D68-Q133 PolarHBondContact O-N 3.29Å; D68-Q133 PolarHBondContact OD2-NE2 3.36Å
69G96.4Very high96.4Very high19 Ų1945.8 Ų45.820%0.19624%0.241CC..THydrogen-bonded Turntrans81.27.6179.600000115.2P67 R123 F124P67-G69 VanDerWaalsContact C-N 3.28Å; P67-G69 PolarHBondContact O-N 2.87Å; G69-R123 VanDerWaalsContact CA-O 3.24Å; G69-R123 WeakPolarHBondContact CA-O 3.46Å; G69-R123 PolarHBondContact N-O 3.38Å; G69-F124 CarbonylContact C-O 3.48Å
70V94.3Very high96.4Very high35 Ų3547.2 Ų47.221%0.21225%0.25CS..SBendtrans-107.9122.7175.4-178.60000109.6P67 D68 M72 Q133P67-V70 VanDerWaalsContact CB-O 3.26Å; P67-V70 WeakPolarHBondContact CB-O 3.27Å; P67-V70 PolarHBondContact O-N 3.46Å; D68-V70 VanDerWaalsContact C-N 3.34Å; V70-M72 HydrophobicContact CB-CE 3.92Å; V70-M72 HydrophobicContact CG1-CE 4.03Å; V70-M72 HydrophobicContact CG1-CG 4.44Å; V70-M72 PolarHBondContact O-N 3.41Å; V70-M72 VanDerWaalsContact O-N 3.17Å; V70-Q133 WeakPolarHBondContact CG2-O 3.48Å
71A94.1Very high96.3Very high70 Ų7047.2 Ų47.258%0.57925%0.25SS*.  trans-61.5119.2177.200000111.1F124A71-F124 HydrophobicContact CB-CB 4.35Å; A71-F124 HydrophobicContact CB-CD2 4.32Å; A71-F124 HydrophobicContact CB-CG 4.25Å
72M94.2Very high96.3Very high71 Ų7147.5 Ų47.535%0.3525%0.252SS..  trans-132.863.1179.4-62.5-176.7-163.200110.3V70 D74 K75 Y76 F124V70-M72 HydrophobicContact CB-CE 3.92Å; V70-M72 HydrophobicContact CG1-CE 4.03Å; V70-M72 HydrophobicContact CG1-CG 4.44Å; V70-M72 PolarHBondContact O-N 3.41Å; V70-M72 VanDerWaalsContact O-N 3.17Å; M72-D74 PolarHBondContact O-N 2.93Å; M72-K75 PolarHBondContact O-N 3.47Å; M72-Y76 HydrophobicContact CB-CD2 4.19Å; M72-Y76 PolarHBondContact O-N 3.14Å; M72-Y76 HydrophobicContact SD-CD2 4.18Å; M72-Y76 HydrophobicContact SD-CE2 4.24Å; M72-F124 HydrophobicContact CB-CE1 4.4Å
73P94.1Very high96.3Very high71 Ų7150.6 Ų50.646%0.46128%0.278SS..Hα-helixtrans-57.4-36.7-172.222.3-33.3000112.8K75 S77P73-K75 PolarHBondContact O-N 2.89Å; P73-K75 VanDerWaalsContact O-N 3.09Å; P73-S77 WeakPolarHBondContact O-CB 3.41Å; P73-S77 PolarHBondContact O-N 2.89Å; P73-S77 VanDerWaalsContact O-N 3.13Å
74D94Very high96.3Very high144 Ų14452.9 Ų52.977%0.7729%0.289SS*.Hα-helixtrans-59.8-25.2179.1-64.5-22.5000114.1N32 M72N32-D74 PolarHBondContact ND2-O 3.44Å; N32-D74 PolarHBondContact OD1-O 2.81Å; M72-D74 PolarHBondContact O-N 2.93Å
75K94.2Very high96.3Very high126 Ų12652.6 Ų52.655%0.54829%0.288SS..Hα-helixtrans-113.8-34.4-174.5-170.1179.4-177.8-169.60113.6M72 P73M72-K75 PolarHBondContact O-N 3.47Å; P73-K75 PolarHBondContact O-N 2.89Å; P73-K75 VanDerWaalsContact O-N 3.09Å
76Y96.3Very high96.4Very high48 Ų4856.6 Ų56.619%0.18830%0.301CS..Hα-helixtrans-134.120.3-167.1-65.7-48.6000113.3L64 P67 M72 N121 F124L64-Y76 HydrophobicContact CG-CD1 4.43Å; P67-Y76 HydrophobicContact CB-CD2 3.98Å; P67-Y76 HydrophobicContact CG-CD2 4.46Å; M72-Y76 HydrophobicContact CB-CD2 4.19Å; M72-Y76 PolarHBondContact O-N 3.14Å; M72-Y76 HydrophobicContact SD-CD2 4.18Å; M72-Y76 HydrophobicContact SD-CE2 4.24Å; Y76-N121 PolarHBondContact O-ND2 3.44Å; Y76-F124 WeakPolarHBondContact O-CZ 3.4Å
77S98Very high96.6Very high11 Ų1152.5 Ų52.58%0.07730%0.299CS..  trans-67.6145.6168.4-177.40000111.8L64 P73 E79 P80 E120L64-S77 VanDerWaalsContact CD2-O 3.26Å; L64-S77 WeakPolarHBondContact CD2-O 3.48Å; P73-S77 WeakPolarHBondContact O-CB 3.41Å; P73-S77 PolarHBondContact O-N 2.89Å; P73-S77 VanDerWaalsContact O-N 3.13Å; S77-E79 VanDerWaalsContact C-N 3.31Å; S77-E79 WeakPolarHBondContact OG-CB 3.44Å; S77-E79 PolarHBondContact OG-N 2.88Å; S77-E79 VanDerWaalsContact OG-N 3.08Å; S77-P80 WeakPolarHBondContact O-CD 3.49Å; S77-E120 WeakPolarHBondContact CA-OE1 3.42Å; S77-E120 VanDerWaalsContact CB-OE2 3.27Å; S77-E120 WeakPolarHBondContact CB-OE2 3.4Å; S77-E120 PolarHBondContact OG-OE2 2.83Å
78L98.6Very high96.7Very high0 Ų054.2 Ų54.20%031%0.308CS..SBendtrans-83.8-0.2169.8-74173.6000113.3F25 L64 V81 A82 F95 L118 L119 E120 N121F25-L78 HydrophobicContact CB-CD2 4.28Å; L64-L78 HydrophobicContact CB-CD2 3.89Å; L64-L78 HydrophobicContact CB-CG 4.4Å; L64-L78 HydrophobicContact CD2-CD2 4.45Å; L78-V81 HydrophobicContact CD2-CB 4.17Å; L78-V81 HydrophobicContact CD2-CG2 3.82Å; L78-V81 CarbonylContact O-C 3.58Å; L78-V81 WeakPolarHBondContact O-CA 3.49Å; L78-V81 VanDerWaalsContact O-CB 3.24Å; L78-V81 WeakPolarHBondContact O-CB 3.5Å; L78-V81 PolarHBondContact O-N 3.23Å; L78-A82 PolarHBondContact O-N 2.88Å; L78-F95 HydrophobicContact CB-CE2 3.87Å; L78-F95 HydrophobicContact CB-CZ 4.45Å; L78-L118 HydrophobicContact CB-CD2 4.18Å; L78-L118 HydrophobicContact CD1-CD1 4.5Å; L78-L119 WeakPolarHBondContact CD1-O 3.49Å; L78-E120 PolarHBondContact N-OE1 3.03Å; L78-N121 HydrophobicContact CD1-CB 4.42Å; L78-N121 HydrophobicContact CG-CB 4.36Å
79E98.1Very high96.8Very high112 Ų11253.1 Ų53.152%0.52330%0.302SS..Hα-helixtrans-54.6-43.8178.5-172.4172.7-157.800113.3S77 V81 A82 A83 F95S77-E79 VanDerWaalsContact C-N 3.31Å; S77-E79 WeakPolarHBondContact OG-CB 3.44Å; S77-E79 PolarHBondContact OG-N 2.88Å; S77-E79 VanDerWaalsContact OG-N 3.08Å; E79-V81 PolarHBondContact O-N 3.21Å; E79-A82 WeakPolarHBondContact O-CB 3.24Å; E79-A82 PolarHBondContact O-N 3.42Å; E79-A82 VanDerWaalsContact O-N 3.09Å; E79-A83 PolarHBondContact O-N 2.6Å; E79-F95 HydrophobicContact CB-CD1 3.86Å; E79-F95 HydrophobicContact CB-CE1 3.57Å; E79-F95 HydrophobicContact CB-CE2 4.49Å; E79-F95 HydrophobicContact CB-CG 4.43Å; E79-F95 HydrophobicContact CB-CZ 3.91Å; E79-F95 HydrophobicContact CG-CD1 3.92Å; E79-F95 HydrophobicContact CG-CE1 4.1Å; E79-F95 HydrophobicContact CG-CG 4.5Å
80P97.9Very high96.9Very high29 Ų2955.7 Ų55.719%0.18833%0.328CS..Hα-helixtrans-62.8-29.8173.9-23.936.1000113.7N32 S77 E84N32-P80 HydrophobicContact CB-CG 4.12Å; N32-P80 VanDerWaalsContact O-CB 3.3Å; N32-P80 WeakPolarHBondContact O-CB 3.23Å; S77-P80 WeakPolarHBondContact O-CD 3.49Å; P80-E84 PolarHBondContact O-N 3.17Å; P80-E84 VanDerWaalsContact O-N 3.16Å
81V98.5Very high97Very high0 Ų057.9 Ų57.90%034%0.335CS..Hα-helixtrans-70.8-37.5174.9178.90000110.5F25 V27 M29 V34 I40 L78 E79 A83 E84 L85 L118F25-V81 HydrophobicContact CB-CG1 3.82Å; F25-V81 HydrophobicContact CD2-CG1 3.48Å; F25-V81 VanDerWaalsContact CD2-CG1 3.48Å; F25-V81 HydrophobicContact CE2-CG1 4.18Å; F25-V81 HydrophobicContact CG-CG1 3.81Å; V27-V81 HydrophobicContact CG2-CG2 3.9Å; M29-V81 HydrophobicContact CE-CG2 3.45Å; M29-V81 VanDerWaalsContact CE-CG2 3.45Å; V34-V81 HydrophobicContact CG2-CG2 4.32Å; I40-V81 HydrophobicContact CD1-CG1 3.83Å; I40-V81 HydrophobicContact CG1-CG1 4.13Å; L78-V81 HydrophobicContact CD2-CB 4.17Å; L78-V81 HydrophobicContact CD2-CG2 3.82Å; L78-V81 CarbonylContact O-C 3.58Å; L78-V81 WeakPolarHBondContact O-CA 3.49Å; L78-V81 VanDerWaalsContact O-CB 3.24Å; L78-V81 WeakPolarHBondContact O-CB 3.5Å; L78-V81 PolarHBondContact O-N 3.23Å; E79-V81 PolarHBondContact O-N 3.21Å; V81-A83 VanDerWaalsContact C-N 3.31Å; V81-A83 PolarHBondContact O-N 3.49Å; V81-E84 PolarHBondContact O-N 2.84Å; V81-L85 VanDerWaalsContact O-CB 3.23Å; V81-L85 WeakPolarHBondContact O-CB 3.42Å; V81-L85 PolarHBondContact O-N 3.33Å; V81-L118 HydrophobicContact CB-CD2 4.2Å; V81-L118 HydrophobicContact CG1-CD2 4.09Å
82A98.3Very high97.2Very high6 Ų660 Ų605%0.0534%0.336CS..Hα-helixtrans-59.4-43.2174.800000111.4L78 E79 L85 K86 V93 F95 L118L78-A82 PolarHBondContact O-N 2.88Å; E79-A82 WeakPolarHBondContact O-CB 3.24Å; E79-A82 PolarHBondContact O-N 3.42Å; E79-A82 VanDerWaalsContact O-N 3.09Å; A82-L85 PolarHBondContact O-N 3.35Å; A82-K86 WeakPolarHBondContact O-CB 3.16Å; A82-K86 PolarHBondContact O-N 3.13Å; A82-V93 HydrophobicContact CB-CG1 4.12Å; A82-F95 HydrophobicContact CB-CB 3.92Å; A82-F95 HydrophobicContact CB-CD2 4Å; A82-F95 HydrophobicContact CB-CG 4.2Å; A82-L118 HydrophobicContact CB-CB 4.48Å; A82-L118 HydrophobicContact CB-CD2 3.84Å
83A97.5Very high97.4Very high66 Ų6657.5 Ų57.555%0.54533%0.326SS..Hα-helixtrans-63.4-45.2177.200000112.3E79 V81 K86 S87E79-A83 PolarHBondContact O-N 2.6Å; V81-A83 VanDerWaalsContact C-N 3.31Å; V81-A83 PolarHBondContact O-N 3.49Å; A83-K86 WeakPolarHBondContact O-CB 3.33Å; A83-K86 PolarHBondContact O-N 3.3Å; A83-S87 PolarHBondContact O-N 2.92Å
84E98.1Very high97.6Very high53 Ų5358.4 Ų58.425%0.24833%0.326CS..Hα-helixtrans-64.4-43176.3-176.362.3-165.100111.7V34 N37 I40 P80 V81 K86 S87 L88V34-E84 HydrophobicContact CB-CG 4.42Å; V34-E84 HydrophobicContact CG2-CB 4.23Å; V34-E84 HydrophobicContact CG2-CG 4.45Å; N37-E84 HydrophobicContact CB-CG 4.07Å; N37-E84 PolarHBondContact ND2-OE1 3.33Å; I40-E84 HydrophobicContact CD1-CB 4.1Å; I40-E84 HydrophobicContact CD1-CG 3.71Å; P80-E84 PolarHBondContact O-N 3.17Å; P80-E84 VanDerWaalsContact O-N 3.16Å; V81-E84 PolarHBondContact O-N 2.84Å; E84-K86 PolarHBondContact O-N 3.2Å; E84-S87 WeakPolarHBondContact O-CB 3.33Å; E84-S87 PolarHBondContact O-N 3.07Å; E84-L88 HydrophobicContact CG-CD1 4.12Å; E84-L88 WeakPolarHBondContact O-CG 3.3Å; E84-L88 PolarHBondContact O-N 3.16Å
85L98.4Very high97.8Very high0 Ų053.2 Ų53.20%030%0.296CS..Hα-helixtrans-62.5-41.6177.2-179.965.4000111.6F25 I40 L44 I47 L60 V81 A82 S87 L88 L89 V93 V116F25-L85 HydrophobicContact CE2-CD2 4.15Å; F25-L85 HydrophobicContact CZ-CD1 4.41Å; F25-L85 HydrophobicContact CZ-CD2 4.45Å; I40-L85 HydrophobicContact CG2-CB 4.35Å; I40-L85 HydrophobicContact CG2-CD1 3.77Å; L44-L85 HydrophobicContact CD2-CD1 3.75Å; I47-L85 HydrophobicContact CD1-CD1 4.17Å; L60-L85 HydrophobicContact CD1-CD2 3.38Å; V81-L85 VanDerWaalsContact O-CB 3.23Å; V81-L85 WeakPolarHBondContact O-CB 3.42Å; V81-L85 PolarHBondContact O-N 3.33Å; A82-L85 PolarHBondContact O-N 3.35Å; L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S87 PolarHBondContact O-N 3.47Å; L85-L88 PolarHBondContact O-N 3.03Å; L85-L89 HydrophobicContact CD1-CD1 3.73Å; L85-L89 HydrophobicContact CD1-CG 3.92Å; L85-L89 HydrophobicContact CD2-CD1 4.3Å; L85-L89 HydrophobicContact CG-CD1 3.75Å; L85-L89 HydrophobicContact CG-CG 4.29Å; L85-L89 WeakPolarHBondContact O-CB 3.44Å; L85-L89 WeakPolarHBondContact O-CG 3.35Å; L85-L89 PolarHBondContact O-N 2.9Å; L85-V93 HydrophobicContact CB-CG2 4.37Å; L85-V93 HydrophobicContact CD2-CG1 4.22Å; L85-V93 HydrophobicContact CD2-CG2 4.04Å; L85-V93 HydrophobicContact CG-CG2 4Å; L85-V116 HydrophobicContact CD2-CG1 4.4Å
86K98.4Very high98Very high98 Ų9848.3 Ų48.343%0.42628%0.276SS..Hα-helixtrans-55.9-46.7173.8168.8171.7179.6165.50111.4A82 A83 E84 G90 K91 D92 V93A82-K86 WeakPolarHBondContact O-CB 3.16Å; A82-K86 PolarHBondContact O-N 3.13Å; A83-K86 WeakPolarHBondContact O-CB 3.33Å; A83-K86 PolarHBondContact O-N 3.3Å; E84-K86 PolarHBondContact O-N 3.2Å; K86-G90 PolarHBondContact O-N 3.28Å; K86-K91 WeakPolarHBondContact CA-O 3.21Å; K86-K91 WeakPolarHBondContact CG-O 3.37Å; K86-K91 PolarHBondContact O-N 2.9Å; K86-D92 WeakPolarHBondContact CE-OD1 2.94Å; K86-D92 IonicContact NZ-OD1 2.66Å; K86-D92 PolarHBondContact NZ-OD1 2.8Å; K86-V93 HydrophobicContact CB-CB 4.35Å; K86-V93 HydrophobicContact CB-CG2 4.01Å
87S97.8Very high98.1Very high91 Ų9154.2 Ų54.264%0.63630%0.303SS*.Hα-helixtrans-60.6-48.4176.4-1750000111.9A83 E84 L85 L89 G90A83-S87 PolarHBondContact O-N 2.92Å; E84-S87 WeakPolarHBondContact O-CB 3.33Å; E84-S87 PolarHBondContact O-N 3.07Å; L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S87 PolarHBondContact O-N 3.47Å; S87-L89 PolarHBondContact O-N 3.31Å; S87-G90 PolarHBondContact O-N 2.96Å
88L98.3Very high98.1Very high37 Ų3756.7 Ų56.719%0.19432%0.315CS..Hα-helixtrans-69.3-30.6-178-69.2171.5000114.3N37 I40 K41 L44 R48 E84 L85N37-L88 HydrophobicContact CB-CD1 4.32Å; I40-L88 HydrophobicContact CB-CD1 4.15Å; I40-L88 HydrophobicContact CG2-CD1 3.7Å; K41-L88 HydrophobicContact CG-CD1 4.13Å; K41-L88 HydrophobicContact CG-CD2 4.32Å; L44-L88 HydrophobicContact CD1-CB 4.04Å; L44-L88 HydrophobicContact CD2-CB 4.37Å; R48-L88 PolarHBondContact NH2-O 3.38Å; E84-L88 HydrophobicContact CG-CD1 4.12Å; E84-L88 WeakPolarHBondContact O-CG 3.3Å; E84-L88 PolarHBondContact O-N 3.16Å; L85-L88 PolarHBondContact O-N 3.03Å
89L97.8Very high98.1Very high28 Ų2856.7 Ų56.715%0.14732%0.315CS..Hα-helixtrans-84.6-25176.4-74.6175.2000113L44 I47 R48 L85 S87 K91 V93 V116L44-L89 HydrophobicContact CD2-CD2 3.72Å; L44-L89 HydrophobicContact CD2-CG 4.01Å; I47-L89 HydrophobicContact CG2-CD1 4.09Å; I47-L89 HydrophobicContact CG2-CD2 4Å; R48-L89 HydrophobicContact CG-CD2 4.15Å; L85-L89 HydrophobicContact CD1-CD1 3.73Å; L85-L89 HydrophobicContact CD1-CG 3.92Å; L85-L89 HydrophobicContact CD2-CD1 4.3Å; L85-L89 HydrophobicContact CG-CD1 3.75Å; L85-L89 HydrophobicContact CG-CG 4.29Å; L85-L89 WeakPolarHBondContact O-CB 3.44Å; L85-L89 WeakPolarHBondContact O-CG 3.35Å; L85-L89 PolarHBondContact O-N 2.9Å; S87-L89 PolarHBondContact O-N 3.31Å; L89-K91 HydrophobicContact CB-CB 4.2Å; L89-K91 PolarHBondContact O-N 3.02Å; L89-V93 HydrophobicContact CD1-CG2 4.36Å; L89-V116 HydrophobicContact CD1-CG1 4.11Å; L89-V116 HydrophobicContact CD1-CG2 4.29Å
90G97.3Very high98.1Very high73 Ų7352.2 Ų52.275%0.75330%0.296SS*.THydrogen-bonded Turntrans64.629.1-16800000112.4K86 S87K86-G90 PolarHBondContact O-N 3.28Å; S87-G90 PolarHBondContact O-N 2.96Å
91K96.6Very high98Very high82 Ų8252.3 Ų52.336%0.35730%0.302SS..SBendtrans-143.5146.1-175.3-162.8173.2-166.5175.70110.4L51 K86 L89 V93 G114 V116L51-K91 HydrophobicContact CD1-CD 4.42Å; K86-K91 WeakPolarHBondContact CA-O 3.21Å; K86-K91 WeakPolarHBondContact CG-O 3.37Å; K86-K91 PolarHBondContact O-N 2.9Å; L89-K91 HydrophobicContact CB-CB 4.2Å; L89-K91 PolarHBondContact O-N 3.02Å; K91-V93 PolarHBondContact O-N 2.98Å; K91-G114 WeakPolarHBondContact CE-O 3.26Å; K91-G114 PolarHBondContact NZ-O 3.12Å; K91-V116 HydrophobicContact CD-CG2 4.33Å
92D98Very high98Very high113 Ų11356.1 Ų56.160%0.60433%0.328SS*.  trans-59.4137.3174.7-72.7-44.6000111.8K86K86-D92 WeakPolarHBondContact CE-OD1 2.94Å; K86-D92 IonicContact NZ-OD1 2.66Å; K86-D92 PolarHBondContact NZ-OD1 2.8Å
93V98.7Very high98Very high20 Ų2063.2 Ų63.212%0.12136%0.36CS..EExtended strand (participates in β ladder)trans-117.7115.6174.5177.80000107.2A82 L85 K86 L89 K91 F95 V116 L118A82-V93 HydrophobicContact CB-CG1 4.12Å; L85-V93 HydrophobicContact CB-CG2 4.37Å; L85-V93 HydrophobicContact CD2-CG1 4.22Å; L85-V93 HydrophobicContact CD2-CG2 4.04Å; L85-V93 HydrophobicContact CG-CG2 4Å; K86-V93 HydrophobicContact CB-CB 4.35Å; K86-V93 HydrophobicContact CB-CG2 4.01Å; L89-V93 HydrophobicContact CD1-CG2 4.36Å; K91-V93 PolarHBondContact O-N 2.98Å; V93-F95 PolarHBondContact O-N 3.4Å; V93-V116 WeakPolarHBondContact CA-O 3.43Å; V93-V116 HydrophobicContact CG1-CG1 4.37Å; V93-V116 HydrophobicContact CG2-CB 4.36Å; V93-V116 HydrophobicContact CG2-CG1 4.06Å; V93-L118 HydrophobicContact CG1-CB 3.88Å
94L98.6Very high98Very high89 Ų8960.1 Ų60.147%0.46634%0.335SS..EExtended strand (participates in β ladder)trans-76.4114.9172.217362.2000108.6L96 V116 I117 L118L94-L96 HydrophobicContact CD1-CD2 4.22Å; L94-L96 HydrophobicContact CD2-CD2 3.95Å; L94-L96 HydrophobicContact CG-CD2 3.85Å; L94-V116 PolarHBondContact N-O 3.29Å; L94-I117 HydrophobicContact CB-CG1 4.3Å; L94-I117 HydrophobicContact CD2-CD1 4.37Å; L94-I117 HydrophobicContact CD2-CG1 4.29Å; L94-I117 CarbonylContact O-C 3.5Å; L94-I117 VanDerWaalsContact O-CA 3.26Å; L94-I117 WeakPolarHBondContact O-CA 3.36Å; L94-L118 PolarHBondContact O-N 3.32Å
95F98.6Very high98Very high35 Ų3559.8 Ų59.815%0.15433%0.333CS..EExtended strand (participates in β ladder)trans-90.3128.7172.8-177.3-111.4000110.5L78 E79 A82 V93 K97 L118 E120L78-F95 HydrophobicContact CB-CE2 3.87Å; L78-F95 HydrophobicContact CB-CZ 4.45Å; E79-F95 HydrophobicContact CB-CD1 3.86Å; E79-F95 HydrophobicContact CB-CE1 3.57Å; E79-F95 HydrophobicContact CB-CE2 4.49Å; E79-F95 HydrophobicContact CB-CG 4.43Å; E79-F95 HydrophobicContact CB-CZ 3.91Å; E79-F95 HydrophobicContact CG-CD1 3.92Å; E79-F95 HydrophobicContact CG-CE1 4.1Å; E79-F95 HydrophobicContact CG-CG 4.5Å; A82-F95 HydrophobicContact CB-CB 3.92Å; A82-F95 HydrophobicContact CB-CD2 4Å; A82-F95 HydrophobicContact CB-CG 4.2Å; V93-F95 PolarHBondContact O-N 3.4Å; F95-K97 HydrophobicContact CE1-CG 4.45Å; F95-L118 WeakPolarHBondContact CA-O 3.47Å; F95-L118 HydrophobicContact CD2-CB 4.28Å; F95-L118 HydrophobicContact CD2-CD2 4.41Å; F95-L118 HydrophobicContact CD2-CG 4.23Å; F95-L118 WeakPolarHBondContact CD2-O 3.45Å; F95-E120 HydrophobicContact CZ-CB 4.13Å; F95-E120 HydrophobicContact CZ-CG 4.39Å; F95-E120 WeakPolarHBondContact CZ-OE2 3.42Å
96L98.6Very high98Very high24 Ų2466.7 Ų66.713%0.12637%0.366CS..  trans-104.8135.6173.6-56.5-174.1000109.2L94 D98 A104 A107 I117 L118 L119 E120L94-L96 HydrophobicContact CD1-CD2 4.22Å; L94-L96 HydrophobicContact CD2-CD2 3.95Å; L94-L96 HydrophobicContact CG-CD2 3.85Å; L96-D98 PolarHBondContact O-N 2.82Å; L96-A104 HydrophobicContact CD1-CB 4.28Å; L96-A107 HydrophobicContact CD1-CB 3.75Å; L96-A107 HydrophobicContact CD2-CB 3.96Å; L96-I117 HydrophobicContact CD1-CG2 3.71Å; L96-I117 HydrophobicContact CG-CG2 3.77Å; L96-L118 PolarHBondContact N-O 3.39Å; L96-L119 HydrophobicContact CB-CD2 4.35Å; L96-L119 HydrophobicContact CD1-CD2 3.79Å; L96-L119 HydrophobicContact CG-CD2 4.41Å; L96-E120 WeakPolarHBondContact O-CB 3.45Å; L96-E120 PolarHBondContact O-N 2.88Å
97K97.9Very high98Very high172 Ų17263.6 Ų63.675%0.74836%0.358SS*.SBendtrans-76.10.7-177.1-65.1-172.3176.5-175.30114.1F95 E120F95-K97 HydrophobicContact CE1-CG 4.45Å; K97-E120 VanDerWaalsContact C-CB 3.5Å
98D98Very high98Very high63 Ų6359.2 Ų59.234%0.33733%0.328SS..  trans-143165.9171.4-149.6-28.8000109.6L96 H125L96-D98 PolarHBondContact O-N 2.82Å; D98-H125 IonicContact OD1-CD2 3.06Å; D98-H125 IonicContact OD1-CE1 3.53Å; D98-H125 PolarHBondContact OD1-CE1 3.46Å; D98-H125 IonicContact OD1-NE2 3.53Å; D98-H125 PolarHBondContact OD1-NE2 2.98Å; D98-H125 IonicContact OD2-CE1 2.77Å; D98-H125 IonicContact OD2-NE2 3.81Å
99C98.2Very high98Very high0 Ų060.3 Ų60.30%034%0.342CS..SBendtrans-107.4-10.3178.166.80000114L119 E120 L122 H125 L154 L157C99-L119 HydrophobicContact CB-CB 3.86Å; C99-L119 HydrophobicContact CB-CD1 4.07Å; C99-E120 WeakPolarHBondContact CB-O 3.35Å; C99-L122 HydrophobicContact CB-CD2 3.91Å; C99-H125 PolarHBondContact SG-CD2 3.4Å; C99-L154 WeakPolarHBondContact O-CD2 3.42Å; C99-L157 WeakPolarHBondContact O-CD1 3.32Å
100V98.2Very high97.9Very high18 Ų1864.7 Ų64.711%0.10937%0.366CS..SBendtrans-141175.5-179.8-69.60000110.2F150 S153 L154V100-F150 HydrophobicContact CB-CD2 4.27Å; V100-F150 HydrophobicContact CB-CE2 4.35Å; V100-F150 HydrophobicContact CG1-CD2 3.56Å; V100-F150 HydrophobicContact CG1-CE2 3.51Å; V100-F150 HydrophobicContact CG1-CG 4.23Å; V100-F150 HydrophobicContact CG1-CZ 4.18Å; V100-F150 HydrophobicContact CG2-CD2 3.85Å; V100-F150 HydrophobicContact CG2-CE2 3.89Å; V100-S153 WeakPolarHBondContact CB-OG 3.29Å; V100-L154 HydrophobicContact CG1-CD2 3.8Å; V100-L154 HydrophobicContact CG1-CG 3.96Å
101G97.2Very high97.8Very high31 Ų3161.5 Ų61.532%0.3233%0.332SS..SBendtrans88.4177.9176.400000113.9E103 A104 E105 S153G101-E103 VanDerWaalsContact C-N 3.33Å; G101-E103 PolarHBondContact O-N 3.41Å; G101-A104 PolarHBondContact O-N 2.84Å; G101-E105 WeakPolarHBondContact O-CB 3.35Å; G101-E105 VanDerWaalsContact O-CG 3.28Å; G101-E105 WeakPolarHBondContact O-CG 3.43Å; G101-E105 PolarHBondContact O-N 2.81Å; G101-S153 PolarHBondContact N-OG 3.1Å
102S97.5Very high97.9Very high79 Ų7962 Ų6255%0.55234%0.343SS*.Hα-helixtrans-60.7-37.8-167.352.40000113.8Q106S102-Q106 VanDerWaalsContact O-CB 3.28Å; S102-Q106 WeakPolarHBondContact O-CB 3.35Å; S102-Q106 WeakPolarHBondContact O-CG 3.38Å; S102-Q106 PolarHBondContact O-N 2.96Å
103E97.4Very high97.9Very high155 Ų15560.3 Ų60.372%0.72435%0.345SS*.Hα-helixtrans-66.9-45.8179.8-65.3-173.9177.200111.6G101 Q106 A107G101-E103 VanDerWaalsContact C-N 3.33Å; G101-E103 PolarHBondContact O-N 3.41Å; E103-Q106 PolarHBondContact O-N 3.29Å; E103-A107 WeakPolarHBondContact O-CB 3.45Å; E103-A107 PolarHBondContact O-N 3.04Å
104A98.1Very high97.8Very high2 Ų259.9 Ų59.92%0.01735%0.345CS..Hα-helixtrans-64-44.2176.600000111.8L96 G101 C108 L157L96-A104 HydrophobicContact CD1-CB 4.28Å; G101-A104 PolarHBondContact O-N 2.84Å; A104-C108 WeakPolarHBondContact O-CB 3.29Å; A104-C108 PolarHBondContact O-N 3.2Å; A104-C108 PolarHBondContact O-SG 3.08Å; A104-L157 HydrophobicContact CB-CD2 4.4Å
105E98.4Very high97.8Very high45 Ų4557 Ų5721%0.2133%0.332CS..Hα-helixtrans-61.4-45.6177.3-70.7176.6-166.500111.8G101 C108 A109 S153 K156 L157G101-E105 WeakPolarHBondContact O-CB 3.35Å; G101-E105 VanDerWaalsContact O-CG 3.28Å; G101-E105 WeakPolarHBondContact O-CG 3.43Å; G101-E105 PolarHBondContact O-N 2.81Å; E105-C108 PolarHBondContact O-N 2.77Å; E105-A109 WeakPolarHBondContact O-CB 3.5Å; E105-A109 PolarHBondContact O-N 2.83Å; E105-S153 WeakPolarHBondContact OE1-CB 3.44Å; E105-S153 PolarHBondContact OE1-OG 2.96Å; E105-K156 HydrophobicContact CG-CB 4.33Å; E105-K156 HydrophobicContact CG-CD 4Å; E105-K156 WeakPolarHBondContact OE1-CD 3.27Å; E105-K156 IonicContact OE1-NZ 3.95Å; E105-K156 PolarHBondContact OE1-NZ 2.91Å; E105-K156 VanDerWaalsContact OE2-CD 3.29Å; E105-K156 WeakPolarHBondContact OE2-CD 3.42Å; E105-K156 IonicContact OE2-NZ 2.72Å; E105-K156 PolarHBondContact OE2-NZ 3.39Å; E105-L157 HydrophobicContact CG-CD2 4.05Å
106Q98.1Very high97.8Very high145 Ų14555.5 Ų55.568%0.67833%0.326SS*.Hα-helixtrans-65.7-45.7178.8-75.1172.513.800112.1S102 E103 C108 A109S102-Q106 VanDerWaalsContact O-CB 3.28Å; S102-Q106 WeakPolarHBondContact O-CB 3.35Å; S102-Q106 WeakPolarHBondContact O-CG 3.38Å; S102-Q106 PolarHBondContact O-N 2.96Å; E103-Q106 PolarHBondContact O-N 3.29Å; Q106-C108 PolarHBondContact O-N 2.87Å; Q106-A109 PolarHBondContact O-N 2.87Å
107A97.9Very high97.8Very high33 Ų3354.4 Ų54.427%0.27332%0.32SS..Hα-helixtrans-61.5-32.2177.800000112.4L96 E103L96-A107 HydrophobicContact CD1-CB 3.75Å; L96-A107 HydrophobicContact CD2-CB 3.96Å; E103-A107 WeakPolarHBondContact O-CB 3.45Å; E103-A107 PolarHBondContact O-N 3.04Å
108C98.2Very high97.9Very high0 Ų046.2 Ų46.20%028%0.284CS..Hα-helixtrans-92.8-8.5179.8-60.20000113.9R18 V59 A104 E105 Q106 P111 L157R18-C108 WeakPolarHBondContact CD-O 3.43Å; R18-C108 PolarHBondContact NH1-O 2.69Å; V59-C108 HydrophobicContact CG2-CB 4.29Å; A104-C108 WeakPolarHBondContact O-CB 3.29Å; A104-C108 PolarHBondContact O-N 3.2Å; A104-C108 PolarHBondContact O-SG 3.08Å; E105-C108 PolarHBondContact O-N 2.77Å; Q106-C108 PolarHBondContact O-N 2.87Å; C108-P111 WeakPolarHBondContact O-CD 3.23Å; C108-L157 HydrophobicContact CB-CB 4.15Å; C108-L157 HydrophobicContact CB-CD2 4.02Å
109A98Very high97.9Very high59 Ų5943.2 Ų43.249%0.48827%0.268SS..Hα-helixtrans-68.3-45.8-176.200000112.7E105 Q106E105-A109 WeakPolarHBondContact O-CB 3.5Å; E105-A109 PolarHBondContact O-N 2.83Å; Q106-A109 PolarHBondContact O-N 2.87Å
110N96.3Very high97.9Very high120 Ų12043.6 Ų43.664%0.64227%0.27SS*.SBendtrans-146.159.3179.1-171.520.1000113R56R56-N110 PolarHBondContact NH2-OD1 2.86Å
111P96.5Very high98Very high7 Ų742.8 Ų42.85%0.04527%0.265CS..PPolyproline II helixtrans-67.9155177.631.2-37.6000111.3R56 S57 C108 I117R56-P111 PolarHBondContact NE-O 2.77Å; R56-P111 PolarHBondContact NH2-O 3.27Å; S57-P111 VanDerWaalsContact CB-CG 3.49Å; S57-P111 WeakPolarHBondContact OG-CG 3.45Å; C108-P111 WeakPolarHBondContact O-CD 3.23Å; P111-I117 HydrophobicContact CB-CD1 4.1Å; P111-I117 HydrophobicContact CG-CD1 4.41Å
112P97.1Very high98Very high91 Ų9141.3 Ų41.359%0.59125%0.25SC*.PPolyproline II helixtrans-50.8157.8172.5-27.134.8000114.2R56 G114 S115R56-P112 VanDerWaalsContact O-O 3.09Å; P112-G114 PolarHBondContact O-N 3.49Å; P112-S115 WeakPolarHBondContact CD-OG 3.45Å; P112-S115 VanDerWaalsContact O-CB 3.31Å; P112-S115 WeakPolarHBondContact O-CB 3.39Å; P112-S115 PolarHBondContact O-N 3.47Å; P112-S115 VanDerWaalsContact O-N 3.11Å; P112-S115 PolarHBondContact O-OG 2.91Å
113A97.6Very high98.1Very high79 Ų7937.8 Ų37.865%0.65323%0.225SC*.THydrogen-bonded Turntrans-66.3131.3-175.600000110.6R56 S115R56-A113 VanDerWaalsContact NH1-CA 3.33Å; R56-A113 CarbonylContact O-C 3.52Å; R56-A113 WeakPolarHBondContact O-CA 3.35Å; A113-S115 VanDerWaalsContact C-N 3.28Å
114G97.5Very high98.1Very high11 Ų1131.4 Ų31.411%0.11320%0.195CC..THydrogen-bonded Turntrans73.315.5-176.700000114.1L51 R56 K91 P112L51-G114 WeakPolarHBondContact CD2-O 3.27Å; R56-G114 PolarHBondContact O-N 3.4Å; K91-G114 WeakPolarHBondContact CE-O 3.26Å; K91-G114 PolarHBondContact NZ-O 3.12Å; P112-G114 PolarHBondContact O-N 3.49Å
115S98.5Very high98.1Very high28 Ų2833.3 Ų33.320%0.19620%0.203CC..EExtended strand (participates in β ladder)trans-58.7138.9174.5-770000111.8S57 V58 P112 A113S57-S115 CarbonylContact C-O 3.53Å; S57-S115 VanDerWaalsContact CA-O 3.22Å; S57-S115 WeakPolarHBondContact CA-O 3.44Å; S57-S115 WeakPolarHBondContact CB-O 3.45Å; V58-S115 PolarHBondContact N-O 3.28Å; P112-S115 WeakPolarHBondContact CD-OG 3.45Å; P112-S115 VanDerWaalsContact O-CB 3.31Å; P112-S115 WeakPolarHBondContact O-CB 3.39Å; P112-S115 PolarHBondContact O-N 3.47Å; P112-S115 VanDerWaalsContact O-N 3.11Å; P112-S115 PolarHBondContact O-OG 2.91Å; A113-S115 VanDerWaalsContact C-N 3.28Å
116V98.8Very high98Very high3 Ų331.9 Ų31.92%0.01820%0.197CC..EExtended strand (participates in β ladder)trans-110.7124.6168.9-175.70000107.5L51 V58 L60 L85 L89 K91 V93 L94L51-V116 HydrophobicContact CD1-CG2 3.89Å; L51-V116 HydrophobicContact CD2-CG2 4.07Å; V58-V116 WeakPolarHBondContact O-CA 3.35Å; L60-V116 HydrophobicContact CD1-CG1 3.88Å; L85-V116 HydrophobicContact CD2-CG1 4.4Å; L89-V116 HydrophobicContact CD1-CG1 4.11Å; L89-V116 HydrophobicContact CD1-CG2 4.29Å; K91-V116 HydrophobicContact CD-CG2 4.33Å; V93-V116 WeakPolarHBondContact CA-O 3.43Å; V93-V116 HydrophobicContact CG1-CG1 4.37Å; V93-V116 HydrophobicContact CG2-CB 4.36Å; V93-V116 HydrophobicContact CG2-CG1 4.06Å; L94-V116 PolarHBondContact N-O 3.29Å
117I98.9Very high98Very high1 Ų126.2 Ų26.21%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-121.5132.2-178.4-55.3-179.8000107.4V58 V59 L60 L94 L96 P111 L119V58-I117 PolarHBondContact O-N 2.76Å; V59-I117 HydrophobicContact CG1-CB 4.45Å; V59-I117 HydrophobicContact CG1-CG2 4.48Å; V59-I117 HydrophobicContact CG2-CB 4.38Å; V59-I117 HydrophobicContact CG2-CD1 4.27Å; L60-I117 WeakPolarHBondContact CB-O 3.38Å; L60-I117 PolarHBondContact N-O 3.2Å; L94-I117 HydrophobicContact CB-CG1 4.3Å; L94-I117 HydrophobicContact CD2-CD1 4.37Å; L94-I117 HydrophobicContact CD2-CG1 4.29Å; L94-I117 CarbonylContact O-C 3.5Å; L94-I117 VanDerWaalsContact O-CA 3.26Å; L94-I117 WeakPolarHBondContact O-CA 3.36Å; L96-I117 HydrophobicContact CD1-CG2 3.71Å; L96-I117 HydrophobicContact CG-CG2 3.77Å; P111-I117 HydrophobicContact CB-CD1 4.1Å; P111-I117 HydrophobicContact CG-CD1 4.41Å; I117-L119 HydrophobicContact CG2-CD2 4.29Å
118L98.9Very high98.1Very high0 Ų024.7 Ų24.70%016%0.158CC..EExtended strand (participates in β ladder)trans-112.5121.7169.3-179.460.9000108.8F25 L60 L78 V81 A82 V93 L94 F95 L96F25-L118 HydrophobicContact CD2-CD1 4.08Å; F25-L118 HydrophobicContact CE2-CD1 4.15Å; L60-L118 HydrophobicContact CB-CD1 3.73Å; L78-L118 HydrophobicContact CB-CD2 4.18Å; L78-L118 HydrophobicContact CD1-CD1 4.5Å; V81-L118 HydrophobicContact CB-CD2 4.2Å; V81-L118 HydrophobicContact CG1-CD2 4.09Å; A82-L118 HydrophobicContact CB-CB 4.48Å; A82-L118 HydrophobicContact CB-CD2 3.84Å; V93-L118 HydrophobicContact CG1-CB 3.88Å; L94-L118 PolarHBondContact O-N 3.32Å; F95-L118 WeakPolarHBondContact CA-O 3.47Å; F95-L118 HydrophobicContact CD2-CB 4.28Å; F95-L118 HydrophobicContact CD2-CD2 4.41Å; F95-L118 HydrophobicContact CD2-CG 4.23Å; F95-L118 WeakPolarHBondContact CD2-O 3.45Å; L96-L118 PolarHBondContact N-O 3.39Å
119L98.9Very high98Very high0 Ų026.7 Ų26.70%017%0.167CC..  trans-77.1155.6173.8-56.4-175.2000110.9V59 L60 M61 L78 L96 C99 I117 L157V59-L119 HydrophobicContact CG1-CD1 4.09Å; V59-L119 HydrophobicContact CG1-CD2 3.94Å; V59-L119 HydrophobicContact CG1-CG 3.95Å; L60-L119 WeakPolarHBondContact O-CG 3.49Å; L60-L119 PolarHBondContact O-N 3.42Å; M61-L119 HydrophobicContact CB-CB 4.47Å; M61-L119 HydrophobicContact CB-CD1 3.88Å; M61-L119 HydrophobicContact CB-CG 4.46Å; L78-L119 WeakPolarHBondContact CD1-O 3.49Å; L96-L119 HydrophobicContact CB-CD2 4.35Å; L96-L119 HydrophobicContact CD1-CD2 3.79Å; L96-L119 HydrophobicContact CG-CD2 4.41Å; C99-L119 HydrophobicContact CB-CB 3.86Å; C99-L119 HydrophobicContact CB-CD1 4.07Å; I117-L119 HydrophobicContact CG2-CD2 4.29Å; L119-L157 HydrophobicContact CD1-CD1 3.45Å; L119-L157 VanDerWaalsContact CD1-CD1 3.45Å; L119-L157 HydrophobicContact CD2-CD1 4.4Å
120E98.6Very high98Very high8 Ų825.1 Ų25.14%0.03716%0.157CC..  trans-65.9163.5170.8-173.654.6-69.700111.8S77 L78 F95 L96 K97 C99 L122 F124S77-E120 WeakPolarHBondContact CA-OE1 3.42Å; S77-E120 VanDerWaalsContact CB-OE2 3.27Å; S77-E120 WeakPolarHBondContact CB-OE2 3.4Å; S77-E120 PolarHBondContact OG-OE2 2.83Å; L78-E120 PolarHBondContact N-OE1 3.03Å; F95-E120 HydrophobicContact CZ-CB 4.13Å; F95-E120 HydrophobicContact CZ-CG 4.39Å; F95-E120 WeakPolarHBondContact CZ-OE2 3.42Å; L96-E120 WeakPolarHBondContact O-CB 3.45Å; L96-E120 PolarHBondContact O-N 2.88Å; K97-E120 VanDerWaalsContact C-CB 3.5Å; C99-E120 WeakPolarHBondContact CB-O 3.35Å; E120-L122 PolarHBondContact O-N 3.03Å; E120-L122 VanDerWaalsContact O-N 3.14Å; E120-F124 HydrophobicContact CG-CD2 3.6Å; E120-F124 HydrophobicContact CG-CE2 3.6Å
121N98.7Very high98Very high1 Ų126.4 Ų26.41%0.00516%0.157CC..  trans-50.3112.6-177.2-172.7-6.8000113H63 L64 Y76 L78 R123 F124H63-N121 VanDerWaalsContact CA-OD1 3.27Å; H63-N121 WeakPolarHBondContact CA-OD1 3.34Å; L64-N121 PolarHBondContact N-ND2 3.47Å; L64-N121 PolarHBondContact N-OD1 2.82Å; L64-N121 VanDerWaalsContact N-OD1 3.08Å; L64-N121 PolarHBondContact O-ND2 2.94Å; Y76-N121 PolarHBondContact O-ND2 3.44Å; L78-N121 HydrophobicContact CD1-CB 4.42Å; L78-N121 HydrophobicContact CG-CB 4.36Å; N121-R123 PolarHBondContact O-N 3.34Å; N121-R123 PolarHBondContact OD1-N 3.49Å; N121-R123 VanDerWaalsContact OD1-N 3.09Å; N121-F124 HydrophobicContact CB-CD1 4.13Å; N121-F124 HydrophobicContact CB-CD2 4.08Å; N121-F124 HydrophobicContact CB-CE1 4.08Å; N121-F124 HydrophobicContact CB-CE2 4.04Å; N121-F124 HydrophobicContact CB-CG 4.12Å; N121-F124 HydrophobicContact CB-CZ 4.03Å; N121-F124 WeakPolarHBondContact O-CB 3.29Å; N121-F124 PolarHBondContact O-N 2.84Å
122L98.8Very high98Very high0 Ų026.6 Ų26.60%016%0.16CC..G310 helixtrans-54.9-31.2179.1-70.3163.8000113.1M61 S62 C99 E120 F124 H125 E128 F150 L154M61-L122 HydrophobicContact CB-CD1 3.9Å; M61-L122 HydrophobicContact CB-CD2 4.37Å; M61-L122 HydrophobicContact CB-CG 4.33Å; M61-L122 HydrophobicContact CG-CD1 3.99Å; M61-L122 HydrophobicContact SD-CD1 4.19Å; M61-L122 HydrophobicContact SD-CD2 4.32Å; S62-L122 WeakPolarHBondContact O-CD1 3.3Å; S62-L122 WeakPolarHBondContact O-CG 3.22Å; S62-L122 PolarHBondContact O-N 3.09Å; C99-L122 HydrophobicContact CB-CD2 3.91Å; E120-L122 PolarHBondContact O-N 3.03Å; E120-L122 VanDerWaalsContact O-N 3.14Å; L122-F124 PolarHBondContact O-N 2.81Å; L122-H125 PolarHBondContact O-N 3.16Å; L122-E128 HydrophobicContact CB-CB 4.33Å; L122-E128 HydrophobicContact CB-CG 3.89Å; L122-E128 VanDerWaalsContact O-CB 3.23Å; L122-E128 WeakPolarHBondContact O-CB 3.31Å; L122-F150 HydrophobicContact CD2-CZ 3.95Å; L122-L154 HydrophobicContact CD2-CD1 4.3Å; L122-L154 HydrophobicContact CD2-CD2 3.93Å
123R98.2Very high97.9Very high6 Ų625.8 Ų25.82%0.02315%0.148CC..G310 helixtrans-76.4-2.8-179.5-72.6-173.4174.3143.118.8114H63 G65 P67 G69 N121 H125 E128 E129 R171H63-R123 HydrophobicContact CB-CG 3.84Å; H63-R123 PolarHBondContact CD2-NH1 2.73Å; H63-R123 PolarHBondContact CD2-NH2 2.85Å; H63-R123 PolarHBondContact NE2-NH2 2.87Å; G65-R123 PolarHBondContact O-NH1 3.43Å; P67-R123 HydrophobicContact CG-CB 3.55Å; P67-R123 WeakPolarHBondContact CG-O 3.4Å; G69-R123 VanDerWaalsContact CA-O 3.24Å; G69-R123 WeakPolarHBondContact CA-O 3.46Å; G69-R123 PolarHBondContact N-O 3.38Å; N121-R123 PolarHBondContact O-N 3.34Å; N121-R123 PolarHBondContact OD1-N 3.49Å; N121-R123 VanDerWaalsContact OD1-N 3.09Å; R123-H125 PolarHBondContact O-N 3.09Å; R123-E128 HydrophobicContact CG-CG 4.26Å; R123-E129 WeakPolarHBondContact CD-OE2 3.44Å; R123-E129 HydrophobicContact CG-CG 4.14Å; R123-E129 IonicContact CZ-OE1 3.42Å; R123-E129 IonicContact NE-OE1 3.79Å; R123-E129 PolarHBondContact NE-OE1 2.67Å; R123-E129 IonicContact NE-OE2 3.95Å; R123-E129 PolarHBondContact NE-OE2 3.43Å; R123-E129 IonicContact NH2-OE1 3.87Å; R123-R171 VanDerWaalsContact NH2-NH1 3.11Å
124F97.9Very high97.5Very high21 Ų2124.3 Ų24.39%0.09213%0.129CC..G310 helixtrans-67.9-15.7165.5-69-11.4000112.4P67 G69 A71 M72 Y76 E120 N121 L122P67-F124 HydrophobicContact CB-CD1 3.77Å; P67-F124 HydrophobicContact CB-CE1 3.91Å; P67-F124 HydrophobicContact CG-CD1 3.68Å; P67-F124 HydrophobicContact CG-CE1 3.95Å; G69-F124 CarbonylContact C-O 3.48Å; A71-F124 HydrophobicContact CB-CB 4.35Å; A71-F124 HydrophobicContact CB-CD2 4.32Å; A71-F124 HydrophobicContact CB-CG 4.25Å; M72-F124 HydrophobicContact CB-CE1 4.4Å; Y76-F124 WeakPolarHBondContact O-CZ 3.4Å; E120-F124 HydrophobicContact CG-CD2 3.6Å; E120-F124 HydrophobicContact CG-CE2 3.6Å; N121-F124 HydrophobicContact CB-CD1 4.13Å; N121-F124 HydrophobicContact CB-CD2 4.08Å; N121-F124 HydrophobicContact CB-CE1 4.08Å; N121-F124 HydrophobicContact CB-CE2 4.04Å; N121-F124 HydrophobicContact CB-CG 4.12Å; N121-F124 HydrophobicContact CB-CZ 4.03Å; N121-F124 WeakPolarHBondContact O-CB 3.29Å; N121-F124 PolarHBondContact O-N 2.84Å; L122-F124 PolarHBondContact O-N 2.81Å
125H97.8Very high96.9Very high42 Ų4229.8 Ų29.819%0.19416%0.163CC..SBendtrans-106.1126.5174.4-64.5-91.2000109.9D98 C99 L122 R123 E127 E128 F150D98-H125 IonicContact OD1-CD2 3.06Å; D98-H125 IonicContact OD1-CE1 3.53Å; D98-H125 PolarHBondContact OD1-CE1 3.46Å; D98-H125 IonicContact OD1-NE2 3.53Å; D98-H125 PolarHBondContact OD1-NE2 2.98Å; D98-H125 IonicContact OD2-CE1 2.77Å; D98-H125 IonicContact OD2-NE2 3.81Å; C99-H125 PolarHBondContact SG-CD2 3.4Å; L122-H125 PolarHBondContact O-N 3.16Å; R123-H125 PolarHBondContact O-N 3.09Å; H125-E127 PolarHBondContact O-N 3.35Å; H125-E128 PolarHBondContact O-N 3.23Å; H125-E128 VanDerWaalsContact O-N 3.16Å; H125-F150 HydrophobicContact CB-CD2 4.01Å; H125-F150 HydrophobicContact CB-CE2 3.49Å; H125-F150 VanDerWaalsContact CB-CE2 3.49Å; H125-F150 HydrophobicContact CB-CZ 4.13Å; H125-F150 AromaticContact CD2-CE2 3.92Å; H125-F150 AromaticContact CG-CE2 3.59Å
126V97.5Very high96.4Very high14 Ų1433.5 Ų33.59%0.08519%0.189CC..Hα-helixtrans-61.9-2517867.30000111.5E128 E129 G130 K131 L140 A142V126-E128 VanDerWaalsContact C-N 3.25Å; V126-E128 PolarHBondContact O-N 2.87Å; V126-E129 PolarHBondContact O-N 2.73Å; V126-G130 WeakPolarHBondContact O-CA 3.28Å; V126-G130 PolarHBondContact O-N 2.91Å; V126-K131 VanDerWaalsContact CG2-C 3.42Å; V126-K131 PolarHBondContact O-N 3.18Å; V126-L140 HydrophobicContact CB-CD2 4.32Å; V126-L140 HydrophobicContact CG1-CD2 4.17Å; V126-L140 HydrophobicContact CG2-CD2 4.08Å; V126-L140 HydrophobicContact CG2-CG 4.29Å; V126-A142 HydrophobicContact CG1-CB 3.97Å; V126-A142 HydrophobicContact CG2-CB 4.23Å
127E98.3Very high96Very high27 Ų2735.2 Ų35.213%0.12621%0.207CC..Hα-helixtrans-65.8-20.8178.3-65.874.4-16400113.7H125 A142 K146 V147 F150 S174H125-E127 PolarHBondContact O-N 3.35Å; E127-A142 HydrophobicContact CG-CB 4.41Å; E127-K146 HydrophobicContact CG-CB 3.85Å; E127-V147 HydrophobicContact CB-CG2 4.26Å; E127-V147 HydrophobicContact CG-CG2 4.29Å; E127-F150 HydrophobicContact CB-CB 3.6Å; E127-F150 HydrophobicContact CB-CD1 4.02Å; E127-F150 HydrophobicContact CB-CD2 4.01Å; E127-F150 HydrophobicContact CB-CG 3.61Å; E127-F150 HydrophobicContact CG-CB 4.05Å; E127-F150 HydrophobicContact CG-CG 4.48Å; E127-S174 WeakPolarHBondContact O-CB 3.44Å; E127-S174 PolarHBondContact O-OG 2.73Å
128E98.5Very high95.8Very high1 Ų139.7 Ų39.71%0.00523%0.231CC..Hα-helixtrans-67.1-47.9174.2164.264.4-179.200111.1R22 L122 R123 H125 V126 F150 H173 S174 S175R22-E128 IonicContact CZ-OE1 3.32Å; R22-E128 IonicContact NH1-OE1 3.35Å; R22-E128 PolarHBondContact NH1-OE1 3.15Å; R22-E128 IonicContact NH2-OE1 3.47Å; L122-E128 HydrophobicContact CB-CB 4.33Å; L122-E128 HydrophobicContact CB-CG 3.89Å; L122-E128 VanDerWaalsContact O-CB 3.23Å; L122-E128 WeakPolarHBondContact O-CB 3.31Å; R123-E128 HydrophobicContact CG-CG 4.26Å; H125-E128 PolarHBondContact O-N 3.23Å; H125-E128 VanDerWaalsContact O-N 3.16Å; V126-E128 VanDerWaalsContact C-N 3.25Å; V126-E128 PolarHBondContact O-N 2.87Å; E128-F150 HydrophobicContact CB-CE1 4.2Å; E128-F150 HydrophobicContact CB-CZ 4.24Å; E128-H173 CarbonylContact O-C 3.58Å; E128-H173 WeakPolarHBondContact O-CA 3.48Å; E128-H173 WeakPolarHBondContact O-CB 3.44Å; E128-H173 WeakPolarHBondContact OE1-CB 3.43Å; E128-H173 IonicContact OE1-CG 3.84Å; E128-H173 IonicContact OE1-ND1 2.71Å; E128-H173 PolarHBondContact OE1-ND1 3Å; E128-S174 PolarHBondContact O-N 3.49Å; E128-S175 PolarHBondContact OE1-OG 3.4Å; E128-S175 VanDerWaalsContact OE2-CB 3.26Å; E128-S175 WeakPolarHBondContact OE2-CB 3.14Å; E128-S175 PolarHBondContact OE2-N 3.49Å; E128-S175 PolarHBondContact OE2-OG 2.8Å
129E97.7Very high95.7Very high41 Ų4149.6 Ų49.619%0.19227%0.274CS..Hα-helixtrans-98.9-9.4-176.9-54.9-163.5108.900113.1R123 V126 K131 R171 H173R123-E129 WeakPolarHBondContact CD-OE2 3.44Å; R123-E129 HydrophobicContact CG-CG 4.14Å; R123-E129 IonicContact CZ-OE1 3.42Å; R123-E129 IonicContact NE-OE1 3.79Å; R123-E129 PolarHBondContact NE-OE1 2.67Å; R123-E129 IonicContact NE-OE2 3.95Å; R123-E129 PolarHBondContact NE-OE2 3.43Å; R123-E129 IonicContact NH2-OE1 3.87Å; V126-E129 PolarHBondContact O-N 2.73Å; E129-K131 PolarHBondContact O-N 2.99Å; E129-R171 IonicContact OE1-NH1 3.29Å; E129-R171 PolarHBondContact OE1-NH1 3.11Å; E129-H173 IonicContact OE1-CE1 2.78Å; E129-H173 PolarHBondContact OE1-CE1 3.49Å; E129-H173 IonicContact OE1-NE2 3.44Å; E129-H173 PolarHBondContact OE1-NE2 3.44Å
130G97.5Very high95.5Very high26 Ų2653.1 Ų53.127%0.26829%0.292SS..THydrogen-bonded Turntrans73.6-1.5-176.500000114.2V126 A142V126-G130 WeakPolarHBondContact O-CA 3.28Å; V126-G130 PolarHBondContact O-N 2.91Å; G130-A142 PolarHBondContact O-N 3.45Å
131K96.6Very high95.4Very high148 Ų14860.5 Ų60.564%0.64333%0.325SS*.EExtended strand (participates in β ladder)trans-156157.1179.666.1-177.1-179.9-176.90109.7V126 E129 L140V126-K131 VanDerWaalsContact CG2-C 3.42Å; V126-K131 PolarHBondContact O-N 3.18Å; E129-K131 PolarHBondContact O-N 2.99Å; K131-L140 CarbonylContact C-O 3.57Å; K131-L140 WeakPolarHBondContact CA-O 3.45Å
132G95.7Very high95.3Very high11 Ų1160.9 Ų60.911%0.11333%0.328CS..EExtended strand (participates in β ladder)trans-175.7-147.2-177.900000110.9D68 K139 L140D68-G132 CarbonylContact O-C 3.47Å; D68-G132 WeakPolarHBondContact O-CA 3.28Å; G132-K139 WeakPolarHBondContact O-CA 3.24Å; G132-L140 PolarHBondContact N-O 3.38Å; G132-L140 PolarHBondContact O-N 3.21Å
133Q94.1Very high95.2Very high74 Ų7466.4 Ų66.435%0.34635%0.354SS..EExtended strand (participates in β ladder)trans-129.7147.4175.9-59.4-179.532.800110.2D68 V70 G137 N138D68-Q133 HydrophobicContact CB-CB 4.4Å; D68-Q133 HydrophobicContact CB-CG 4.05Å; D68-Q133 PolarHBondContact O-N 3.29Å; D68-Q133 PolarHBondContact OD2-NE2 3.36Å; V70-Q133 WeakPolarHBondContact CG2-O 3.48Å; Q133-G137 PolarHBondContact OE1-O 2.68Å; Q133-N138 CarbonylContact C-O 3.32Å; Q133-N138 WeakPolarHBondContact CA-O 3.3Å
134D89.2Confident95.2Very high47 Ų4770.6 Ų70.625%0.25138%0.381SS..  trans-72.1169.3164.473.614.1000110.3S136 G137 N138D134-S136 PolarHBondContact O-N 2.92Å; D134-S136 VanDerWaalsContact OD1-C 3.26Å; D134-S136 VanDerWaalsContact OD1-CA 3.24Å; D134-S136 WeakPolarHBondContact OD1-CA 3.17Å; D134-S136 VanDerWaalsContact OD1-CB 3.31Å; D134-S136 WeakPolarHBondContact OD1-CB 2.95Å; D134-S136 PolarHBondContact OD1-N 3.29Å; D134-G137 PolarHBondContact O-N 3.41Å; D134-G137 PolarHBondContact OD1-N 3.22Å; D134-N138 PolarHBondContact N-O 3.15Å; D134-N138 PolarHBondContact OD1-N 3.03Å; D134-N138 PolarHBondContact OD1-ND2 3.27Å; D134-N138 WeakPolarHBondContact OD2-CB 3.26Å; D134-N138 PolarHBondContact OD2-ND2 2.71Å
135P84.8Confident95.2Very high127 Ų12775.7 Ų75.783%0.82541%0.409SS*.THydrogen-bonded Turntrans-59.7-13.7177.2-26.936.5000115.2
136S89.4Confident95.2Very high105 Ų10579.5 Ų79.573%0.73443%0.425SS*.THydrogen-bonded Turntrans-93.5-1.4174.9-61.60000113.3D134D134-S136 PolarHBondContact O-N 2.92Å; D134-S136 VanDerWaalsContact OD1-C 3.26Å; D134-S136 VanDerWaalsContact OD1-CA 3.24Å; D134-S136 WeakPolarHBondContact OD1-CA 3.17Å; D134-S136 VanDerWaalsContact OD1-CB 3.31Å; D134-S136 WeakPolarHBondContact OD1-CB 2.95Å; D134-S136 PolarHBondContact OD1-N 3.29Å
137G90.4Very high95.3Very high39 Ų3979.9 Ų79.940%0.40243%0.428SS..SBendtrans87.97.6179.400000114.9Q133 D134Q133-G137 PolarHBondContact OE1-O 2.68Å; D134-G137 PolarHBondContact O-N 3.41Å; D134-G137 PolarHBondContact OD1-N 3.22Å
138N94.9Very high95.3Very high96 Ų9685 Ų8551%0.51345%0.452SS..  trans-79.6144176.8-53.4-61.8000110.7Q133 D134 L140Q133-N138 CarbonylContact C-O 3.32Å; Q133-N138 WeakPolarHBondContact CA-O 3.3Å; D134-N138 PolarHBondContact N-O 3.15Å; D134-N138 PolarHBondContact OD1-N 3.03Å; D134-N138 PolarHBondContact OD1-ND2 3.27Å; D134-N138 WeakPolarHBondContact OD2-CB 3.26Å; D134-N138 PolarHBondContact OD2-ND2 2.71Å; N138-L140 PolarHBondContact O-N 3.44Å
139K96.3Very high95.3Very high208 Ų20887.9 Ų87.990%0.90448%0.476SS*.EExtended strand (participates in β ladder)trans-58.9126.3176.3-68.7179.2-1791730110.9G132G132-K139 WeakPolarHBondContact O-CA 3.24Å
140L94.1Very high95.3Very high73 Ų7386.4 Ų86.438%0.38247%0.469SS..EExtended strand (participates in β ladder)trans-115.1141.3177.5-178.666.2000109.2V126 K131 G132 N138V126-L140 HydrophobicContact CB-CD2 4.32Å; V126-L140 HydrophobicContact CG1-CD2 4.17Å; V126-L140 HydrophobicContact CG2-CD2 4.08Å; V126-L140 HydrophobicContact CG2-CG 4.29Å; K131-L140 CarbonylContact C-O 3.57Å; K131-L140 WeakPolarHBondContact CA-O 3.45Å; G132-L140 PolarHBondContact N-O 3.38Å; G132-L140 PolarHBondContact O-N 3.21Å; N138-L140 PolarHBondContact O-N 3.44Å
141K96.9Very high95.4Very high164 Ų16488.9 Ų88.971%0.71347%0.47SS*.EExtended strand (participates in β ladder)trans-110.2136.3167.5-172.2179.5176.8-174.20107.7
142A96.8Very high95.5Very high8 Ų884.2 Ų84.27%0.06646%0.459CS..  trans-70138.8177.200000110.3V126 E127 G130 V147V126-A142 HydrophobicContact CG1-CB 3.97Å; V126-A142 HydrophobicContact CG2-CB 4.23Å; E127-A142 HydrophobicContact CG-CB 4.41Å; G130-A142 PolarHBondContact O-N 3.45Å; A142-V147 HydrophobicContact CB-CG2 3.56Å
143E97.4Very high95.6Very high117 Ų11784 Ų8455%0.54746%0.456SS..  trans-68134.2173.7-62.8-56.5145.400110D145 K146 V147E143-D145 VanDerWaalsContact C-N 3.29Å; E143-D145 PolarHBondContact O-N 2.88Å; E143-K146 HydrophobicContact CB-CB 4.36Å; E143-K146 HydrophobicContact CB-CD 4.25Å; E143-K146 HydrophobicContact CB-CG 4.13Å; E143-K146 WeakPolarHBondContact O-CB 3.29Å; E143-K146 PolarHBondContact O-N 2.85Å; E143-V147 PolarHBondContact O-N 3.12Å
144P97.7Very high95.8Very high93 Ų9380.5 Ų80.560%0.60444%0.44SS*.Hα-helixtrans-51.3-43.8-177.7-29.235.8000114.2K146 V147 E148P144-K146 VanDerWaalsContact C-N 3.3Å; P144-K146 PolarHBondContact O-N 2.94Å; P144-V147 WeakPolarHBondContact O-CB 3.31Å; P144-V147 PolarHBondContact O-N 2.95Å; P144-E148 PolarHBondContact O-N 2.98Å
145D98.2Very high96.3Very high128 Ų12879 Ų7968%0.68443%0.433SS*.Hα-helixtrans-66-32.9-179.4-61.7-6.6000112.2E143 E148 A149E143-D145 VanDerWaalsContact C-N 3.29Å; E143-D145 PolarHBondContact O-N 2.88Å; D145-E148 PolarHBondContact O-N 3.32Å; D145-A149 WeakPolarHBondContact O-CB 3.24Å; D145-A149 PolarHBondContact O-N 3.45Å
146K98.1Very high96.9Very high122 Ų12278.1 Ų78.153%0.5342%0.416SS..Hα-helixtrans-71.4-38.6174.9-67.4-173.2177.3-177.90111.3E127 E143 P144 E148 A149 F150E127-K146 HydrophobicContact CG-CB 3.85Å; E143-K146 HydrophobicContact CB-CB 4.36Å; E143-K146 HydrophobicContact CB-CD 4.25Å; E143-K146 HydrophobicContact CB-CG 4.13Å; E143-K146 WeakPolarHBondContact O-CB 3.29Å; E143-K146 PolarHBondContact O-N 2.85Å; P144-K146 VanDerWaalsContact C-N 3.3Å; P144-K146 PolarHBondContact O-N 2.94Å; K146-E148 VanDerWaalsContact C-N 3.31Å; K146-E148 PolarHBondContact O-N 3.38Å; K146-A149 PolarHBondContact O-N 2.86Å; K146-F150 VanDerWaalsContact O-CB 3.31Å; K146-F150 WeakPolarHBondContact O-CB 3.16Å; K146-F150 PolarHBondContact O-N 3.42Å
147V98.4Very high97.4Very high22 Ų2273.1 Ų73.113%0.13338%0.381CS..Hα-helixtrans-61-42.4172.5176.60000110.6E127 A142 E143 P144 F150 R151E127-V147 HydrophobicContact CB-CG2 4.26Å; E127-V147 HydrophobicContact CG-CG2 4.29Å; A142-V147 HydrophobicContact CB-CG2 3.56Å; E143-V147 PolarHBondContact O-N 3.12Å; P144-V147 WeakPolarHBondContact O-CB 3.31Å; P144-V147 PolarHBondContact O-N 2.95Å; V147-F150 PolarHBondContact O-N 2.85Å; V147-R151 WeakPolarHBondContact O-CB 3.47Å; V147-R151 WeakPolarHBondContact O-CG 3.01Å; V147-R151 PolarHBondContact O-N 2.96Å
148E98.4Very high97.8Very high135 Ų13571.3 Ų71.363%0.63136%0.363SS*.Hα-helixtrans-63.3-47.5175.5-173.3173.1-175.200111.8P144 D145 K146 F150 R151 A152P144-E148 PolarHBondContact O-N 2.98Å; D145-E148 PolarHBondContact O-N 3.32Å; K146-E148 VanDerWaalsContact C-N 3.31Å; K146-E148 PolarHBondContact O-N 3.38Å; E148-F150 VanDerWaalsContact C-N 3.35Å; E148-F150 PolarHBondContact O-N 3.21Å; E148-R151 PolarHBondContact O-N 3.39Å; E148-A152 WeakPolarHBondContact O-CB 3.49Å; E148-A152 PolarHBondContact O-N 3.01Å
149A98.5Very high97.9Very high62 Ų6269.4 Ų69.451%0.51235%0.352SS..Hα-helixtrans-60.3-41.9176.800000112.6D145 K146 A152 S153D145-A149 WeakPolarHBondContact O-CB 3.24Å; D145-A149 PolarHBondContact O-N 3.45Å; K146-A149 PolarHBondContact O-N 2.86Å; A149-A152 PolarHBondContact O-N 3.04Å; A149-S153 PolarHBondContact O-N 2.92Å
150F98.7Very high98.1Very high10 Ų1059.7 Ų59.74%0.04431%0.31CS..Hα-helixtrans-60.6-48175.5-179-95.7000111.5V100 L122 H125 E127 E128 K146 V147 E148 A152 S153 L154V100-F150 HydrophobicContact CB-CD2 4.27Å; V100-F150 HydrophobicContact CB-CE2 4.35Å; V100-F150 HydrophobicContact CG1-CD2 3.56Å; V100-F150 HydrophobicContact CG1-CE2 3.51Å; V100-F150 HydrophobicContact CG1-CG 4.23Å; V100-F150 HydrophobicContact CG1-CZ 4.18Å; V100-F150 HydrophobicContact CG2-CD2 3.85Å; V100-F150 HydrophobicContact CG2-CE2 3.89Å; L122-F150 HydrophobicContact CD2-CZ 3.95Å; H125-F150 HydrophobicContact CB-CD2 4.01Å; H125-F150 HydrophobicContact CB-CE2 3.49Å; H125-F150 VanDerWaalsContact CB-CE2 3.49Å; H125-F150 HydrophobicContact CB-CZ 4.13Å; H125-F150 AromaticContact CD2-CE2 3.92Å; H125-F150 AromaticContact CG-CE2 3.59Å; E127-F150 HydrophobicContact CB-CB 3.6Å; E127-F150 HydrophobicContact CB-CD1 4.02Å; E127-F150 HydrophobicContact CB-CD2 4.01Å; E127-F150 HydrophobicContact CB-CG 3.61Å; E127-F150 HydrophobicContact CG-CB 4.05Å; E127-F150 HydrophobicContact CG-CG 4.48Å; E128-F150 HydrophobicContact CB-CE1 4.2Å; E128-F150 HydrophobicContact CB-CZ 4.24Å; K146-F150 VanDerWaalsContact O-CB 3.31Å; K146-F150 WeakPolarHBondContact O-CB 3.16Å; K146-F150 PolarHBondContact O-N 3.42Å; V147-F150 PolarHBondContact O-N 2.85Å; E148-F150 VanDerWaalsContact C-N 3.35Å; E148-F150 PolarHBondContact O-N 3.21Å; F150-A152 PolarHBondContact O-N 3.4Å; F150-S153 PolarHBondContact O-N 2.8Å; F150-L154 HydrophobicContact CD1-CD1 3.96Å; F150-L154 HydrophobicContact CD1-CG 4.41Å; F150-L154 HydrophobicContact CE1-CD1 3.46Å; F150-L154 VanDerWaalsContact CE1-CD1 3.46Å; F150-L154 HydrophobicContact CE1-CG 4.12Å; F150-L154 HydrophobicContact CZ-CD1 4.07Å; F150-L154 HydrophobicContact CZ-CG 4.41Å; F150-L154 WeakPolarHBondContact O-CG 3.26Å; F150-L154 PolarHBondContact O-N 3.49Å
151R98.6Very high98.3Very high78 Ų7856.3 Ų56.329%0.29429%0.293SS..Hα-helixtrans-63-40176.5-73.3172.7178.9-160.4-1.1112.6V147 E148 S153 L154 S155 S174V147-R151 WeakPolarHBondContact O-CB 3.47Å; V147-R151 WeakPolarHBondContact O-CG 3.01Å; V147-R151 PolarHBondContact O-N 2.96Å; E148-R151 PolarHBondContact O-N 3.39Å; R151-S153 VanDerWaalsContact C-N 3.34Å; R151-L154 PolarHBondContact O-N 3.06Å; R151-S155 WeakPolarHBondContact O-CB 3.43Å; R151-S155 PolarHBondContact O-N 3.41Å; R151-S155 PolarHBondContact O-OG 3.23Å; R151-S174 PolarHBondContact NE-OG 2.81Å
152A98.6Very high98.4Very high49 Ų4948.5 Ų48.541%0.40526%0.259SS..Hα-helixtrans-62.9-42.5175.300000111E148 A149 F150 S155 K156E148-A152 WeakPolarHBondContact O-CB 3.49Å; E148-A152 PolarHBondContact O-N 3.01Å; A149-A152 PolarHBondContact O-N 3.04Å; F150-A152 PolarHBondContact O-N 3.4Å; A152-S155 PolarHBondContact O-N 3.29Å; A152-K156 WeakPolarHBondContact O-CG 3.3Å; A152-K156 PolarHBondContact O-N 3.36Å
153S98.7Very high98.5Very high8 Ų848.1 Ų48.16%0.05626%0.256CS..Hα-helixtrans-62.9-48.8176.5-166.70000111.8V100 G101 E105 A149 F150 R151 S155 K156V100-S153 WeakPolarHBondContact CB-OG 3.29Å; G101-S153 PolarHBondContact N-OG 3.1Å; E105-S153 WeakPolarHBondContact OE1-CB 3.44Å; E105-S153 PolarHBondContact OE1-OG 2.96Å; A149-S153 PolarHBondContact O-N 2.92Å; F150-S153 PolarHBondContact O-N 2.8Å; R151-S153 VanDerWaalsContact C-N 3.34Å; S153-S155 PolarHBondContact O-N 3.47Å; S153-K156 WeakPolarHBondContact O-CB 3.4Å; S153-K156 PolarHBondContact O-N 3.28Å; S153-K156 VanDerWaalsContact O-N 3.09Å
154L98.8Very high98.5Very high0 Ų042.6 Ų42.60%023%0.229CC..Hα-helixtrans-55.6-39.7173.8-69.1-179.3000112.3I20 M61 C99 V100 L122 F150 R151 K156 L157 V179I20-L154 VanDerWaalsContact CD1-O 3.24Å; I20-L154 WeakPolarHBondContact CD1-O 3.4Å; M61-L154 HydrophobicContact SD-CD1 4.37Å; M61-L154 HydrophobicContact SD-CD2 4.08Å; C99-L154 WeakPolarHBondContact O-CD2 3.42Å; V100-L154 HydrophobicContact CG1-CD2 3.8Å; V100-L154 HydrophobicContact CG1-CG 3.96Å; L122-L154 HydrophobicContact CD2-CD1 4.3Å; L122-L154 HydrophobicContact CD2-CD2 3.93Å; F150-L154 HydrophobicContact CD1-CD1 3.96Å; F150-L154 HydrophobicContact CD1-CG 4.41Å; F150-L154 HydrophobicContact CE1-CD1 3.46Å; F150-L154 VanDerWaalsContact CE1-CD1 3.46Å; F150-L154 HydrophobicContact CE1-CG 4.12Å; F150-L154 HydrophobicContact CZ-CD1 4.07Å; F150-L154 HydrophobicContact CZ-CG 4.41Å; F150-L154 WeakPolarHBondContact O-CG 3.26Å; F150-L154 PolarHBondContact O-N 3.49Å; R151-L154 PolarHBondContact O-N 3.06Å; L154-K156 VanDerWaalsContact C-N 3.26Å; L154-K156 PolarHBondContact O-N 3.24Å; L154-L157 HydrophobicContact CD2-CD1 4.25Å; L154-L157 WeakPolarHBondContact O-CG 3.32Å; L154-L157 PolarHBondContact O-N 2.99Å; L154-V179 HydrophobicContact CB-CG2 4.28Å
155S98.6Very high98.5Very high15 Ų1538.1 Ų38.111%0.10520%0.201CC..Hα-helixtrans-66.4-25.4-178.8-560000113.2R151 A152 S153 L157 N180 L181R151-S155 WeakPolarHBondContact O-CB 3.43Å; R151-S155 PolarHBondContact O-N 3.41Å; R151-S155 PolarHBondContact O-OG 3.23Å; A152-S155 PolarHBondContact O-N 3.29Å; S153-S155 PolarHBondContact O-N 3.47Å; S155-L157 VanDerWaalsContact C-N 3.28Å; S155-L157 PolarHBondContact O-N 2.99Å; S155-N180 PolarHBondContact OG-N 2.83Å; S155-L181 WeakPolarHBondContact O-CD2 3.28Å
156K98.5Very high98.3Very high108 Ų10832 Ų3247%0.4717%0.168SC..Hα-helixtrans-74.5-16.8177.6-66.9166.7-176.9173.50113.7R18 E105 A152 S153 L154 G158R18-K156 PolarHBondContact NH1-O 2.76Å; R18-K156 PolarHBondContact NH2-O 2.94Å; E105-K156 HydrophobicContact CG-CB 4.33Å; E105-K156 HydrophobicContact CG-CD 4Å; E105-K156 WeakPolarHBondContact OE1-CD 3.27Å; E105-K156 IonicContact OE1-NZ 3.95Å; E105-K156 PolarHBondContact OE1-NZ 2.91Å; E105-K156 VanDerWaalsContact OE2-CD 3.29Å; E105-K156 WeakPolarHBondContact OE2-CD 3.42Å; E105-K156 IonicContact OE2-NZ 2.72Å; E105-K156 PolarHBondContact OE2-NZ 3.39Å; A152-K156 WeakPolarHBondContact O-CG 3.3Å; A152-K156 PolarHBondContact O-N 3.36Å; S153-K156 WeakPolarHBondContact O-CB 3.4Å; S153-K156 PolarHBondContact O-N 3.28Å; S153-K156 VanDerWaalsContact O-N 3.09Å; L154-K156 VanDerWaalsContact C-N 3.26Å; L154-K156 PolarHBondContact O-N 3.24Å; K156-G158 VanDerWaalsContact C-N 3.26Å; K156-G158 PolarHBondContact O-N 3.44Å
157L98.6Very high98.1Very high0 Ų026.8 Ų26.80%015%0.149CC..THydrogen-bonded Turntrans-79.7-7.1-172.1-46.8179.4000113.3I20 V59 C99 A104 E105 C108 L119 L154 S155I20-L157 HydrophobicContact CD1-CB 4.13Å; I20-L157 HydrophobicContact CD1-CD1 4.4Å; V59-L157 HydrophobicContact CG1-CB 4.32Å; C99-L157 WeakPolarHBondContact O-CD1 3.32Å; A104-L157 HydrophobicContact CB-CD2 4.4Å; E105-L157 HydrophobicContact CG-CD2 4.05Å; C108-L157 HydrophobicContact CB-CB 4.15Å; C108-L157 HydrophobicContact CB-CD2 4.02Å; L119-L157 HydrophobicContact CD1-CD1 3.45Å; L119-L157 VanDerWaalsContact CD1-CD1 3.45Å; L119-L157 HydrophobicContact CD2-CD1 4.4Å; L154-L157 HydrophobicContact CD2-CD1 4.25Å; L154-L157 WeakPolarHBondContact O-CG 3.32Å; L154-L157 PolarHBondContact O-N 2.99Å; S155-L157 VanDerWaalsContact C-N 3.28Å; S155-L157 PolarHBondContact O-N 2.99Å
158G98.4Very high97.9Very high2 Ų226 Ų262%0.02114%0.144CC..  trans-148.4169.1177.900000112.8R18 K156 L181R18-G158 PolarHBondContact NH2-O 2.76Å; R18-G158 CarbonylContact O-C 3.59Å; R18-G158 WeakPolarHBondContact O-CA 3.36Å; K156-G158 VanDerWaalsContact C-N 3.26Å; K156-G158 PolarHBondContact O-N 3.44Å; G158-L181 WeakPolarHBondContact O-CD2 3.06Å
159D98.6Very high97.8Very high56 Ų5619.5 Ų19.530%0.29911%0.114SC..SBendtrans-100.4-27171.9-48.1-43.9000110.9K17 R18K17-D159 WeakPolarHBondContact CA-OD2 3.43Å; K17-D159 HydrophobicContact CB-CB 4.33Å; K17-D159 HydrophobicContact CD-CB 4.11Å; R18-D159 IonicContact CZ-OD1 3.35Å; R18-D159 PolarHBondContact N-OD2 3.37Å; R18-D159 IonicContact NE-OD1 3.03Å; R18-D159 PolarHBondContact NE-OD1 3.47Å; R18-D159 IonicContact NE-OD2 3.59Å; R18-D159 IonicContact NH2-OD1 2.79Å; R18-D159 PolarHBondContact NH2-OD1 2.92Å; R18-D159 PolarHBondContact O-N 3.05Å
160V98.7Very high97.6Very high3 Ų318.3 Ų18.32%0.01810%0.097CC..EExtended strand (participates in β ladder)trans-134.8148.3175.5-62.30000110.2L12 K17 R18 V19 I20 Q183L12-V160 HydrophobicContact CD1-CB 4.24Å; L12-V160 HydrophobicContact CD1-CG1 4.06Å; L12-V160 HydrophobicContact CD2-CB 4.02Å; L12-V160 HydrophobicContact CD2-CG2 3.92Å; K17-V160 HydrophobicContact CB-CG2 4.34Å; R18-V160 PolarHBondContact O-N 3.07Å; V19-V160 HydrophobicContact CB-CG2 4.33Å; V19-V160 HydrophobicContact CG1-CG2 4.34Å; V19-V160 HydrophobicContact CG2-CG2 3.84Å; I20-V160 WeakPolarHBondContact CG2-O 3.21Å; I20-V160 PolarHBondContact N-O 3.05Å; V160-Q183 HydrophobicContact CG1-CB 4.36Å
161Y98.8Very high97.4Very high3 Ų321.3 Ų21.31%0.01211%0.108CC..EExtended strand (participates in β ladder)trans-107.4136.8179.8171.2-101.2000111.3I20 R22 M61 N163 S175 V179 Q183 K184 A185 L414I20-Y161 HydrophobicContact CG2-CD2 4.18Å; I20-Y161 CarbonylContact O-C 3.51Å; I20-Y161 WeakPolarHBondContact O-CA 3.4Å; R22-Y161 HydrophobicContact CB-CE2 4.03Å; M61-Y161 HydrophobicContact CE-CD2 4.21Å; M61-Y161 HydrophobicContact CE-CE2 3.59Å; Y161-N163 HydrophobicContact CE1-CB 3.67Å; Y161-N163 PolarHBondContact OH-ND2 3.12Å; Y161-S175 PolarHBondContact OH-O 3.14Å; Y161-V179 HydrophobicContact CD2-CB 3.82Å; Y161-V179 HydrophobicContact CD2-CG1 3.76Å; Y161-V179 HydrophobicContact CD2-CG2 3.9Å; Y161-V179 HydrophobicContact CE2-CB 4.14Å; Y161-V179 HydrophobicContact CE2-CG2 3.9Å; Y161-V179 HydrophobicContact CG-CB 4.25Å; Y161-V179 HydrophobicContact CG-CG1 4.03Å; Y161-Q183 PolarHBondContact N-O 2.86Å; Y161-K184 HydrophobicContact CD1-CB 3.81Å; Y161-K184 HydrophobicContact CD1-CG 4.01Å; Y161-K184 CarbonylContact O-C 3.6Å; Y161-K184 WeakPolarHBondContact O-CA 3.45Å; Y161-A185 PolarHBondContact O-N 2.74Å; Y161-L414 HydrophobicContact CE1-CD2 4.17Å
162V98.9Very high97.3Very high0 Ų020.6 Ų20.60%012%0.119CC..EExtended strand (participates in β ladder)trans-124.7124173.2-179.40000109.6L9 L12 V19 I20 M21 R22 A185L9-V162 HydrophobicContact CD1-CG2 3.82Å; L12-V162 HydrophobicContact CD2-CG2 3.87Å; V19-V162 HydrophobicContact CG1-CB 4.22Å; V19-V162 HydrophobicContact CG1-CG2 3.55Å; I20-V162 PolarHBondContact O-N 3.21Å; M21-V162 CarbonylContact C-O 3.5Å; M21-V162 VanDerWaalsContact CA-O 3.22Å; M21-V162 WeakPolarHBondContact CA-O 3.45Å; M21-V162 HydrophobicContact CB-CB 4.26Å; M21-V162 HydrophobicContact CE-CB 4.25Å; M21-V162 HydrophobicContact CE-CG1 4.06Å; M21-V162 HydrophobicContact CG-CB 4.02Å; M21-V162 HydrophobicContact CG-CG1 4.06Å; R22-V162 PolarHBondContact N-O 2.89Å; V162-A185 CarbonylContact C-O 3.54Å; V162-A185 VanDerWaalsContact CA-O 3.3Å; V162-A185 WeakPolarHBondContact CA-O 3.46Å
163N98.6Very high97.3Very high0 Ų019 Ų190%010%0.103CC..EExtended strand (participates in β ladder)trans-100.1111171.2-166.4-16.8000110.3Y161 A165 M176 A185 S186 G187 M190 G410 L414Y161-N163 HydrophobicContact CE1-CB 3.67Å; Y161-N163 PolarHBondContact OH-ND2 3.12Å; N163-A165 PolarHBondContact OD1-N 2.82Å; N163-M176 WeakPolarHBondContact ND2-CE 3.47Å; N163-A185 PolarHBondContact N-O 3.2Å; N163-S186 CarbonylContact O-C 3.55Å; N163-S186 WeakPolarHBondContact O-CA 3.14Å; N163-G187 PolarHBondContact O-N 3.01Å; N163-M190 HydrophobicContact CB-CE 4.09Å; N163-M190 WeakPolarHBondContact ND2-CE 3.38Å; N163-M190 VanDerWaalsContact O-CB 3.25Å; N163-M190 WeakPolarHBondContact O-CB 3.18Å; N163-M190 WeakPolarHBondContact OD1-CE 3.31Å; N163-G410 PolarHBondContact ND2-O 2.87Å; N163-L414 HydrophobicContact CB-CD2 3.87Å
164D98Very high97.3Very high0 Ų018.7 Ų18.70%010%0.101CC..  trans-11722.2176-146.826.8000112.3M21 R22 V23 S46 G187 F188 L189 M190M21-D164 HydrophobicContact CG-CB 4.41Å; M21-D164 HydrophobicContact SD-CB 4.42Å; R22-D164 CarbonylContact O-C 3.37Å; R22-D164 WeakPolarHBondContact O-CA 3.34Å; R22-D164 PolarHBondContact O-N 2.91Å; V23-D164 HydrophobicContact CG1-CB 4.47Å; S46-D164 WeakPolarHBondContact CB-OD2 3.26Å; S46-D164 VanDerWaalsContact OG-CG 3.28Å; S46-D164 PolarHBondContact OG-OD2 3.39Å; D164-G187 WeakPolarHBondContact OD1-CA 3.35Å; D164-F188 PolarHBondContact OD1-N 2.95Å; D164-F188 VanDerWaalsContact OD1-N 3.12Å; D164-L189 WeakPolarHBondContact OD1-CA 3.44Å; D164-L189 VanDerWaalsContact OD1-CB 3.23Å; D164-L189 WeakPolarHBondContact OD1-CB 3.24Å; D164-L189 PolarHBondContact OD1-N 2.9Å; D164-M190 PolarHBondContact OD1-N 2.89Å; D164-M190 VanDerWaalsContact OD1-N 3.12Å
165A97Very high97.3Very high0 Ų018.7 Ų18.70%010%0.101CC..  trans-11566.6-176.200000112.3R22 D24 N163 G167 T168 A169 M176R22-A165 HydrophobicContact CG-CB 3.83Å; R22-A165 PolarHBondContact O-N 2.81Å; D24-A165 HydrophobicContact CB-CB 4.08Å; N163-A165 PolarHBondContact OD1-N 2.82Å; A165-G167 PolarHBondContact O-N 3.07Å; A165-T168 WeakPolarHBondContact CB-OG1 3.46Å; A165-T168 PolarHBondContact O-N 2.84Å; A165-T168 PolarHBondContact O-OG1 3.45Å; A165-A169 PolarHBondContact O-N 2.84Å; A165-M176 HydrophobicContact CB-SD 4.49Å
166F95.6Very high97.3Very high0 Ų018.1 Ų18.10%010%0.096CC..G310 helixtrans-55.4-37.4178.7-179.1-104.4000112.6T168 A169 L189 M190 E193 F197 A398 L402 L408F166-T168 PolarHBondContact O-N 3.46Å; F166-A169 HydrophobicContact CD2-CB 4.36Å; F166-A169 WeakPolarHBondContact O-CB 3.47Å; F166-A169 PolarHBondContact O-N 3.48Å; F166-L189 HydrophobicContact CB-CD2 3.74Å; F166-M190 HydrophobicContact CB-SD 3.92Å; F166-M190 HydrophobicContact CD2-SD 3.63Å; F166-M190 HydrophobicContact CG-SD 4.27Å; F166-E193 HydrophobicContact CB-CB 4.2Å; F166-E193 HydrophobicContact CB-CG 3.71Å; F166-E193 HydrophobicContact CD1-CB 3.9Å; F166-E193 HydrophobicContact CD1-CG 3.57Å; F166-E193 WeakPolarHBondContact CD1-OE1 3.47Å; F166-E193 HydrophobicContact CD2-CB 3.56Å; F166-E193 HydrophobicContact CD2-CG 4Å; F166-E193 HydrophobicContact CE1-CB 4.13Å; F166-E193 HydrophobicContact CE1-CG 4.16Å; F166-E193 WeakPolarHBondContact CE1-OE2 3.42Å; F166-E193 HydrophobicContact CE2-CB 3.81Å; F166-E193 HydrophobicContact CG-CB 3.61Å; F166-E193 HydrophobicContact CG-CG 3.48Å; F166-E193 VanDerWaalsContact CG-CG 3.48Å; F166-E193 HydrophobicContact CZ-CB 4.09Å; F166-F197 AromaticContact CE1-CE2 3.99Å; F166-F197 HydrophobicContact CE1-CE2 3.99Å; F166-F197 AromaticContact CZ-CD2 3.93Å; F166-F197 HydrophobicContact CZ-CD2 3.93Å; F166-F197 AromaticContact CZ-CE2 3.67Å; F166-F197 HydrophobicContact CZ-CE2 3.67Å; F166-A398 HydrophobicContact CD1-CB 4.18Å; F166-A398 HydrophobicContact CE1-CB 3.87Å; F166-A398 HydrophobicContact CE2-CB 4.4Å; F166-A398 HydrophobicContact CZ-CB 3.98Å; F166-A398 WeakPolarHBondContact O-CB 3.22Å; F166-L402 HydrophobicContact CE2-CD2 4.28Å; F166-L402 HydrophobicContact CZ-CD2 4.26Å; F166-L408 HydrophobicContact CE2-CD1 3.88Å; F166-L408 HydrophobicContact CZ-CD1 4.38Å
167G93.2Very high97.2Very high12 Ų1214.8 Ų14.812%0.1249%0.085CC..G310 helixtrans-53.3-27.3177.200000114.8A165 H170A165-G167 PolarHBondContact O-N 3.07Å; G167-H170 PolarHBondContact O-CE1 3.21Å; G167-H170 PolarHBondContact O-ND1 3.01Å
168T94.4Very high97.2Very high4 Ų415.2 Ų15.23%0.0259%0.09CC..G310 helixtrans-106.64177.3520000114.5R22 H63 A165 F166 H170 R171 M176R22-T168 PolarHBondContact NH2-OG1 3.38Å; R22-T168 VanDerWaalsContact NH2-OG1 3.13Å; H63-T168 WeakPolarHBondContact CE1-CG2 3.46Å; A165-T168 WeakPolarHBondContact CB-OG1 3.46Å; A165-T168 PolarHBondContact O-N 2.84Å; A165-T168 PolarHBondContact O-OG1 3.45Å; F166-T168 PolarHBondContact O-N 3.46Å; T168-H170 PolarHBondContact O-N 3.24Å; T168-R171 WeakPolarHBondContact O-CB 3.28Å; T168-R171 PolarHBondContact O-N 3.46Å; T168-M176 WeakPolarHBondContact O-CE 3.2Å; T168-M176 PolarHBondContact OG1-SD 3.26Å
169A95.9Very high97.2Very high0 Ų015.2 Ų15.20%09%0.09CC..THydrogen-bonded Turntrans-61.1-26.3-174.300000114.9A165 F166 R171 M176 M190 A398 L408 P409 G410 V411A165-A169 PolarHBondContact O-N 2.84Å; F166-A169 HydrophobicContact CD2-CB 4.36Å; F166-A169 WeakPolarHBondContact O-CB 3.47Å; F166-A169 PolarHBondContact O-N 3.48Å; A169-R171 PolarHBondContact O-N 2.99Å; A169-M176 HydrophobicContact CB-CE 4.37Å; A169-M190 HydrophobicContact CB-CE 4.01Å; A169-M190 HydrophobicContact CB-SD 4.44Å; A169-A398 HydrophobicContact CB-CB 4.43Å; A169-L408 HydrophobicContact CB-CB 4.34Å; A169-L408 HydrophobicContact CB-CD1 4.02Å; A169-L408 CarbonylContact O-C 3.53Å; A169-P409 WeakPolarHBondContact O-CD 3.31Å; A169-G410 PolarHBondContact O-N 2.87Å; A169-V411 HydrophobicContact CB-CG2 4.13Å
170H94.2Very high97.2Very high37 Ų3718.8 Ų18.817%0.17111%0.108CC..THydrogen-bonded Turntrans-72.8-10.3174.662.3-74000113.6G167 T168 A398 E401 L408G167-H170 PolarHBondContact O-CE1 3.21Å; G167-H170 PolarHBondContact O-ND1 3.01Å; T168-H170 PolarHBondContact O-N 3.24Å; H170-A398 HydrophobicContact CB-CB 4.41Å; H170-A398 PolarHBondContact ND1-N 3.43Å; H170-E401 HydrophobicContact CB-CG 4.47Å; H170-E401 IonicContact CD2-OE1 3.68Å; H170-E401 PolarHBondContact CD2-OE1 2.93Å; H170-E401 IonicContact CG-OE1 3.69Å; H170-L408 HydrophobicContact CB-CD2 3.94Å
171R95.1Very high97.2Very high73 Ų7319.6 Ų19.628%0.27511%0.113SC..SBendtrans-104.3127.6-175.2-51.4-167.6177.6-160-0.8111.3R123 E129 T168 A169 H173 M176R123-R171 VanDerWaalsContact NH2-NH1 3.11Å; E129-R171 IonicContact OE1-NH1 3.29Å; E129-R171 PolarHBondContact OE1-NH1 3.11Å; T168-R171 WeakPolarHBondContact O-CB 3.28Å; T168-R171 PolarHBondContact O-N 3.46Å; A169-R171 PolarHBondContact O-N 2.99Å; R171-H173 VanDerWaalsContact CB-CD2 3.49Å; R171-H173 WeakPolarHBondContact CB-CD2 3.5Å; R171-H173 VanDerWaalsContact CD-CE1 3.4Å; R171-H173 WeakPolarHBondContact CD-CE1 3.36Å; R171-H173 VanDerWaalsContact CD-NE2 3.27Å; R171-H173 WeakPolarHBondContact CD-NE2 3.36Å; R171-H173 PolarHBondContact O-N 3.5Å; R171-M176 WeakPolarHBondContact O-CB 3.35Å
172A96.5Very high97Very high62 Ų6224.9 Ų24.951%0.51215%0.148SC..  trans-78.242.4176.200000113.2V177 P409A172-V177 HydrophobicContact CB-CG2 4.5Å; A172-P409 HydrophobicContact CB-CB 3.97Å; A172-P409 HydrophobicContact CB-CG 4.17Å
173H98.2Very high97Very high16 Ų1628.8 Ų28.87%0.07417%0.166CC..  trans-71.6157.2179.9-68.4-170.9000112.3E128 E129 R171 S175 M176 V177E128-H173 CarbonylContact O-C 3.58Å; E128-H173 WeakPolarHBondContact O-CA 3.48Å; E128-H173 WeakPolarHBondContact O-CB 3.44Å; E128-H173 WeakPolarHBondContact OE1-CB 3.43Å; E128-H173 IonicContact OE1-CG 3.84Å; E128-H173 IonicContact OE1-ND1 2.71Å; E128-H173 PolarHBondContact OE1-ND1 3Å; E129-H173 IonicContact OE1-CE1 2.78Å; E129-H173 PolarHBondContact OE1-CE1 3.49Å; E129-H173 IonicContact OE1-NE2 3.44Å; E129-H173 PolarHBondContact OE1-NE2 3.44Å; R171-H173 VanDerWaalsContact CB-CD2 3.49Å; R171-H173 WeakPolarHBondContact CB-CD2 3.5Å; R171-H173 VanDerWaalsContact CD-CE1 3.4Å; R171-H173 WeakPolarHBondContact CD-CE1 3.36Å; R171-H173 VanDerWaalsContact CD-NE2 3.27Å; R171-H173 WeakPolarHBondContact CD-NE2 3.36Å; R171-H173 PolarHBondContact O-N 3.5Å; H173-S175 PolarHBondContact O-N 3.27Å; H173-M176 HydrophobicContact CB-CB 4.28Å; H173-M176 HydrophobicContact CB-CG 3.96Å; H173-M176 WeakPolarHBondContact O-CA 3.39Å; H173-M176 WeakPolarHBondContact O-CB 3.48Å; H173-M176 PolarHBondContact O-N 3.45Å; H173-V177 WeakPolarHBondContact O-CG2 3.2Å; H173-V177 PolarHBondContact O-N 3.42Å
174S98.7Very high97Very high2 Ų230.4 Ų30.41%0.01417%0.173CC..Hα-helixtrans-57.4-43.3-177.1-710000113.9E127 E128 R151 M176 G178 V179E127-S174 WeakPolarHBondContact O-CB 3.44Å; E127-S174 PolarHBondContact O-OG 2.73Å; E128-S174 PolarHBondContact O-N 3.49Å; R151-S174 PolarHBondContact NE-OG 2.81Å; S174-M176 VanDerWaalsContact C-N 3.26Å; S174-M176 PolarHBondContact O-N 3.21Å; S174-G178 CarbonylContact O-C 3.52Å; S174-G178 WeakPolarHBondContact O-CA 3.38Å; S174-G178 PolarHBondContact O-N 3Å; S174-V179 PolarHBondContact O-N 3.06Å
175S98.5Very high97Very high0 Ų030.4 Ų30.40%017%0.173CC..Hα-helixtrans-73.1-12.2174.759.90000115.3R22 M61 E128 Y161 H173R22-S175 PolarHBondContact NH1-OG 3.23Å; M61-S175 WeakPolarHBondContact CE-O 3.4Å; E128-S175 PolarHBondContact OE1-OG 3.4Å; E128-S175 VanDerWaalsContact OE2-CB 3.26Å; E128-S175 WeakPolarHBondContact OE2-CB 3.14Å; E128-S175 PolarHBondContact OE2-N 3.49Å; E128-S175 PolarHBondContact OE2-OG 2.8Å; Y161-S175 PolarHBondContact OH-O 3.14Å; H173-S175 PolarHBondContact O-N 3.27Å
176M98.3Very high97.1Very high2 Ų230.4 Ų30.41%0.0117%0.173CC..Hα-helixtrans-93.7-37.2179.2-65-60-61.600112.4R22 N163 A165 T168 A169 R171 H173 S174R22-M176 HydrophobicContact CG-SD 3.58Å; R22-M176 VanDerWaalsContact CG-SD 3.58Å; N163-M176 WeakPolarHBondContact ND2-CE 3.47Å; A165-M176 HydrophobicContact CB-SD 4.49Å; T168-M176 WeakPolarHBondContact O-CE 3.2Å; T168-M176 PolarHBondContact OG1-SD 3.26Å; A169-M176 HydrophobicContact CB-CE 4.37Å; R171-M176 WeakPolarHBondContact O-CB 3.35Å; H173-M176 HydrophobicContact CB-CB 4.28Å; H173-M176 HydrophobicContact CB-CG 3.96Å; H173-M176 WeakPolarHBondContact O-CA 3.39Å; H173-M176 WeakPolarHBondContact O-CB 3.48Å; H173-M176 PolarHBondContact O-N 3.45Å; S174-M176 VanDerWaalsContact C-N 3.26Å; S174-M176 PolarHBondContact O-N 3.21Å
177V98Very high97.2Very high38 Ų3830.4 Ų30.423%0.2317%0.173CC..Hα-helixtrans-126.5-17-173.4-52.90000113.9A172 H173 P409 A413A172-V177 HydrophobicContact CB-CG2 4.5Å; H173-V177 WeakPolarHBondContact O-CG2 3.2Å; H173-V177 PolarHBondContact O-N 3.42Å; V177-P409 HydrophobicContact CG1-CB 3.83Å; V177-A413 HydrophobicContact CB-CB 4.18Å; V177-A413 HydrophobicContact CG1-CB 4.18Å
178G98Very high97.5Very high10 Ų1032.3 Ų32.310%0.10318%0.178CC..  trans-96.7-11.4-168.800000115.5S174 N180S174-G178 CarbonylContact O-C 3.52Å; S174-G178 WeakPolarHBondContact O-CA 3.38Å; S174-G178 PolarHBondContact O-N 3Å; G178-N180 PolarHBondContact O-N 2.96Å
179V98.4Very high97.5Very high2 Ų233.3 Ų33.31%0.01218%0.183CC..  trans-66.7117.2172.7178.60000109.1I20 M61 L154 Y161 S174 L181 K184I20-V179 HydrophobicContact CG2-CG1 4.32Å; M61-V179 HydrophobicContact CE-CG2 3.88Å; L154-V179 HydrophobicContact CB-CG2 4.28Å; Y161-V179 HydrophobicContact CD2-CB 3.82Å; Y161-V179 HydrophobicContact CD2-CG1 3.76Å; Y161-V179 HydrophobicContact CD2-CG2 3.9Å; Y161-V179 HydrophobicContact CE2-CB 4.14Å; Y161-V179 HydrophobicContact CE2-CG2 3.9Å; Y161-V179 HydrophobicContact CG-CB 4.25Å; Y161-V179 HydrophobicContact CG-CG1 4.03Å; S174-V179 PolarHBondContact O-N 3.06Å; V179-L181 HydrophobicContact CG1-CB 4.38Å; V179-L181 HydrophobicContact CG1-CD1 3.84Å; V179-L181 HydrophobicContact CG1-CG 3.88Å; V179-L181 PolarHBondContact O-N 3.31Å; V179-K184 WeakPolarHBondContact O-CE 3.42Å; V179-K184 PolarHBondContact O-NZ 3.42Å
180N97.7Very high97.6Very high130 Ų13033.3 Ų33.370%0.69518%0.183SC*.  trans-103.569.7-174.7-167.428.4000111.4S155 G178S155-N180 PolarHBondContact OG-N 2.83Å; G178-N180 PolarHBondContact O-N 2.96Å
181L98.4Very high97.6Very high20 Ų2034.1 Ų34.111%0.10519%0.186CC..  trans-111.3151.8174.1-68.8174.9000111.3I20 S155 G158 V179 Q183 K184I20-L181 HydrophobicContact CG2-CD1 3.6Å; S155-L181 WeakPolarHBondContact O-CD2 3.28Å; G158-L181 WeakPolarHBondContact O-CD2 3.06Å; V179-L181 HydrophobicContact CG1-CB 4.38Å; V179-L181 HydrophobicContact CG1-CD1 3.84Å; V179-L181 HydrophobicContact CG1-CG 3.88Å; V179-L181 PolarHBondContact O-N 3.31Å; L181-Q183 VanDerWaalsContact C-N 3.33Å; L181-Q183 PolarHBondContact O-N 2.97Å; L181-K184 WeakPolarHBondContact O-CE 3.17Å
182P96.4Very high97.6Very high115 Ų11535.6 Ų35.675%0.74719%0.194SC*.SBendtrans-60.8-37.1-173.8-25.234.6000114.3
183Q98.3Very high97.6Very high81 Ų8132.7 Ų32.738%0.37917%0.17SC..  trans-119.2124-179.9-64180-76.500110.1L7 L12 V160 Y161 L181L7-Q183 HydrophobicContact CD2-CB 4.13Å; L12-Q183 HydrophobicContact CD1-CB 3.56Å; L12-Q183 HydrophobicContact CD1-CG 4.25Å; V160-Q183 HydrophobicContact CG1-CB 4.36Å; Y161-Q183 PolarHBondContact N-O 2.86Å; L181-Q183 VanDerWaalsContact C-N 3.33Å; L181-Q183 PolarHBondContact O-N 2.97Å
184K98.5Very high97.4Very high34 Ų3432 Ų3215%0.14817%0.167CC..EExtended strand (participates in β ladder)trans-127.6100.6-176.1-59.4178.5-165.4-171.40108.3Y161 V179 L181 A413 L414 S415Y161-K184 HydrophobicContact CD1-CB 3.81Å; Y161-K184 HydrophobicContact CD1-CG 4.01Å; Y161-K184 CarbonylContact O-C 3.6Å; Y161-K184 WeakPolarHBondContact O-CA 3.45Å; V179-K184 WeakPolarHBondContact O-CE 3.42Å; V179-K184 PolarHBondContact O-NZ 3.42Å; L181-K184 WeakPolarHBondContact O-CE 3.17Å; K184-A413 VanDerWaalsContact CD-O 3.23Å; K184-A413 WeakPolarHBondContact CD-O 3.18Å; K184-L414 HydrophobicContact CB-CD2 4.32Å; K184-S415 PolarHBondContact N-OG 3.48Å; K184-S415 PolarHBondContact O-N 2.96Å
185A98.5Very high97.2Very high0 Ų034.7 Ų34.70%018%0.181CC..EExtended strand (participates in β ladder)trans-104.6156.2-174.500000112.3L7 L12 Y161 V162 N163L7-A185 HydrophobicContact CB-CB 4.44Å; L7-A185 HydrophobicContact CD2-CB 4.11Å; L7-A185 HydrophobicContact CG-CB 3.87Å; L7-A185 CarbonylContact O-C 3.49Å; L7-A185 WeakPolarHBondContact O-CA 3.37Å; L12-A185 HydrophobicContact CB-CB 4.25Å; L12-A185 HydrophobicContact CD2-CB 3.87Å; Y161-A185 PolarHBondContact O-N 2.74Å; V162-A185 CarbonylContact C-O 3.54Å; V162-A185 VanDerWaalsContact CA-O 3.3Å; V162-A185 WeakPolarHBondContact CA-O 3.46Å; N163-A185 PolarHBondContact N-O 3.2Å
186S98.3Very high97Very high1 Ų136.9 Ų36.91%0.00719%0.19CC..EExtended strand (participates in β ladder)trans-77.6136.6162.362.10000110.3L7 L9 N163L7-S186 PolarHBondContact O-N 2.93Å; L7-S186 PolarHBondContact O-OG 2.96Å; L9-S186 PolarHBondContact N-O 3.48Å; N163-S186 CarbonylContact O-C 3.55Å; N163-S186 WeakPolarHBondContact O-CA 3.14Å
187G98.5Very high96.8Very high0 Ų036.8 Ų36.80%019%0.189CC..  trans-69.8179.2162.600000111.6N163 D164 M190 K191N163-G187 PolarHBondContact O-N 3.01Å; D164-G187 WeakPolarHBondContact OD1-CA 3.35Å; G187-M190 PolarHBondContact O-N 3.37Å; G187-K191 WeakPolarHBondContact O-CB 3.32Å; G187-K191 PolarHBondContact O-N 3.16Å
188F97.9Very high96.6Very high52 Ų5235.4 Ų35.423%0.22818%0.182CC..Hα-helixtrans-71.5-31.2-174.2-63.2-45.5000114.7L9 D10 P45 S46 Y49 D164 K191 K192L9-F188 HydrophobicContact CB-CE1 4.26Å; L9-F188 HydrophobicContact CB-CZ 4.47Å; L9-F188 HydrophobicContact CD2-CE2 4.2Å; L9-F188 HydrophobicContact CD2-CZ 4.3Å; L9-F188 HydrophobicContact CG-CZ 4.42Å; D10-F188 HydrophobicContact CB-CE1 4Å; D10-F188 HydrophobicContact CB-CZ 4.38Å; P45-F188 HydrophobicContact CB-CD2 3.95Å; S46-F188 PolarHBondContact OG-N 3.42Å; Y49-F188 HydrophobicContact CD1-CE2 4.33Å; Y49-F188 HydrophobicContact CD1-CZ 4.07Å; Y49-F188 AromaticContact CD2-CE2 3.9Å; Y49-F188 HydrophobicContact CD2-CE2 3.9Å; Y49-F188 AromaticContact CD2-CZ 3.64Å; Y49-F188 HydrophobicContact CD2-CZ 3.64Å; Y49-F188 HydrophobicContact CE1-CZ 4.49Å; Y49-F188 HydrophobicContact CE2-CZ 4.1Å; Y49-F188 AromaticContact CG-CE2 3.65Å; Y49-F188 HydrophobicContact CG-CE2 3.65Å; Y49-F188 AromaticContact CG-CZ 3.64Å; Y49-F188 HydrophobicContact CG-CZ 3.64Å; D164-F188 PolarHBondContact OD1-N 2.95Å; D164-F188 VanDerWaalsContact OD1-N 3.12Å; F188-K191 HydrophobicContact CD1-CD 4.41Å; F188-K192 VanDerWaalsContact O-CB 3.32Å; F188-K192 WeakPolarHBondContact O-CB 3.16Å; F188-K192 PolarHBondContact O-N 3.38Å
189L96.1Very high96.3Very high24 Ų2439.2 Ų39.213%0.12620%0.195CC..Hα-helixtrans-64.6-53.2173.1179.7168.8000108.9A42 D164 F166 K191 K192 E193A42-L189 HydrophobicContact CB-CD1 3.58Å; D164-L189 WeakPolarHBondContact OD1-CA 3.44Å; D164-L189 VanDerWaalsContact OD1-CB 3.23Å; D164-L189 WeakPolarHBondContact OD1-CB 3.24Å; D164-L189 PolarHBondContact OD1-N 2.9Å; F166-L189 HydrophobicContact CB-CD2 3.74Å; L189-K191 VanDerWaalsContact C-N 3.35Å; L189-K191 PolarHBondContact O-N 2.71Å; L189-K192 PolarHBondContact O-N 2.98Å; L189-E193 HydrophobicContact CD2-CG 4.12Å; L189-E193 VanDerWaalsContact O-CG 3.26Å; L189-E193 WeakPolarHBondContact O-CG 3.35Å; L189-E193 PolarHBondContact O-N 3.14Å; L189-E193 VanDerWaalsContact O-N 3.11Å
190M96.2Very high96.1Very high0 Ų039.1 Ų39.10%020%0.195CC..Hα-helixtrans-58.9-46.1177.6177.3778900111.3N163 D164 F166 A169 G187 K192 E193 L194 V411N163-M190 HydrophobicContact CB-CE 4.09Å; N163-M190 WeakPolarHBondContact ND2-CE 3.38Å; N163-M190 VanDerWaalsContact O-CB 3.25Å; N163-M190 WeakPolarHBondContact O-CB 3.18Å; N163-M190 WeakPolarHBondContact OD1-CE 3.31Å; D164-M190 PolarHBondContact OD1-N 2.89Å; D164-M190 VanDerWaalsContact OD1-N 3.12Å; F166-M190 HydrophobicContact CB-SD 3.92Å; F166-M190 HydrophobicContact CD2-SD 3.63Å; F166-M190 HydrophobicContact CG-SD 4.27Å; A169-M190 HydrophobicContact CB-CE 4.01Å; A169-M190 HydrophobicContact CB-SD 4.44Å; G187-M190 PolarHBondContact O-N 3.37Å; M190-K192 VanDerWaalsContact C-N 3.35Å; M190-K192 PolarHBondContact O-N 2.84Å; M190-E193 WeakPolarHBondContact O-CB 3.32Å; M190-E193 PolarHBondContact O-N 3.36Å; M190-L194 HydrophobicContact CG-CD1 4.08Å; M190-L194 HydrophobicContact CG-CG 4.39Å; M190-L194 WeakPolarHBondContact O-CG 3.4Å; M190-L194 PolarHBondContact O-N 2.95Å; M190-V411 HydrophobicContact SD-CG2 4.14Å
191K96.2Very high95.8Very high54 Ų5434 Ų3424%0.23517%0.167CC..Hα-helixtrans-55.6-48.5176.9179.8-173.6-177.3-64.30111.4T8 G187 F188 L189 E193 L194 D195T8-K191 HydrophobicContact CG2-CB 4.36Å; T8-K191 HydrophobicContact CG2-CD 3.71Å; T8-K191 HydrophobicContact CG2-CG 3.78Å; G187-K191 WeakPolarHBondContact O-CB 3.32Å; G187-K191 PolarHBondContact O-N 3.16Å; F188-K191 HydrophobicContact CD1-CD 4.41Å; L189-K191 VanDerWaalsContact C-N 3.35Å; L189-K191 PolarHBondContact O-N 2.71Å; K191-E193 VanDerWaalsContact C-N 3.31Å; K191-E193 PolarHBondContact O-N 2.92Å; K191-L194 PolarHBondContact O-N 3.38Å; K191-D195 IonicContact NZ-OD2 2.69Å; K191-D195 PolarHBondContact NZ-OD2 2.73Å; K191-D195 WeakPolarHBondContact O-CB 3.39Å; K191-D195 VanDerWaalsContact O-CG 3.26Å; K191-D195 PolarHBondContact O-N 3.19Å
192K95Very high95.5Very high104 Ų10435.9 Ų35.945%0.45218%0.175SC..Hα-helixtrans-58.6-44.3179.5-176.3179.8179-174.90111.2F188 L189 M190 D195 Y196 H391F188-K192 VanDerWaalsContact O-CB 3.32Å; F188-K192 WeakPolarHBondContact O-CB 3.16Å; F188-K192 PolarHBondContact O-N 3.38Å; L189-K192 PolarHBondContact O-N 2.98Å; M190-K192 VanDerWaalsContact C-N 3.35Å; M190-K192 PolarHBondContact O-N 2.84Å; K192-D195 PolarHBondContact O-N 3.32Å; K192-Y196 HydrophobicContact CG-CD2 3.98Å; K192-Y196 HydrophobicContact CG-CE2 3.98Å; K192-Y196 VanDerWaalsContact O-CD2 3.3Å; K192-Y196 WeakPolarHBondContact O-CD2 3.4Å; K192-Y196 PolarHBondContact O-N 3.4Å; K192-Y196 VanDerWaalsContact O-N 3.17Å; K192-H391 WeakPolarHBondContact CE-ND1 3.14Å
193E95.1Very high95.1Very high1 Ų136.8 Ų36.81%0.00517%0.174CC..Hα-helixtrans-58.7-51.4176-61.7-88.6-165.300110.8F166 L189 M190 K191 D195 Y196 F197 H391 S393 T394F166-E193 HydrophobicContact CB-CB 4.2Å; F166-E193 HydrophobicContact CB-CG 3.71Å; F166-E193 HydrophobicContact CD1-CB 3.9Å; F166-E193 HydrophobicContact CD1-CG 3.57Å; F166-E193 WeakPolarHBondContact CD1-OE1 3.47Å; F166-E193 HydrophobicContact CD2-CB 3.56Å; F166-E193 HydrophobicContact CD2-CG 4Å; F166-E193 HydrophobicContact CE1-CB 4.13Å; F166-E193 HydrophobicContact CE1-CG 4.16Å; F166-E193 WeakPolarHBondContact CE1-OE2 3.42Å; F166-E193 HydrophobicContact CE2-CB 3.81Å; F166-E193 HydrophobicContact CG-CB 3.61Å; F166-E193 HydrophobicContact CG-CG 3.48Å; F166-E193 VanDerWaalsContact CG-CG 3.48Å; F166-E193 HydrophobicContact CZ-CB 4.09Å; L189-E193 HydrophobicContact CD2-CG 4.12Å; L189-E193 VanDerWaalsContact O-CG 3.26Å; L189-E193 WeakPolarHBondContact O-CG 3.35Å; L189-E193 PolarHBondContact O-N 3.14Å; L189-E193 VanDerWaalsContact O-N 3.11Å; M190-E193 WeakPolarHBondContact O-CB 3.32Å; M190-E193 PolarHBondContact O-N 3.36Å; K191-E193 VanDerWaalsContact C-N 3.31Å; K191-E193 PolarHBondContact O-N 2.92Å; E193-D195 PolarHBondContact O-N 3.03Å; E193-Y196 PolarHBondContact O-N 2.85Å; E193-F197 WeakPolarHBondContact O-CD2 3.46Å; E193-F197 PolarHBondContact O-N 3.27Å; E193-H391 IonicContact OE1-NE2 2.71Å; E193-H391 IonicContact OE2-CD2 2.95Å; E193-H391 IonicContact OE2-CE1 3.64Å; E193-H391 IonicContact OE2-NE2 2.68Å; E193-H391 PolarHBondContact OE2-NE2 3.47Å; E193-S393 WeakPolarHBondContact OE1-CA 3.32Å; E193-S393 WeakPolarHBondContact OE2-CA 3.47Å; E193-S393 WeakPolarHBondContact OE2-CB 3.47Å; E193-T394 WeakPolarHBondContact OE1-CB 3.45Å; E193-T394 PolarHBondContact OE1-N 2.78Å; E193-T394 PolarHBondContact OE1-OG1 2.79Å
194L94.7Very high95Very high2 Ų234 Ų341%0.0116%0.163CC..Hα-helixtrans-61.1-42.4179.7-64.5178.8000112.6L3 K6 M190 K191 Y196 F197 A198 V411L3-L194 HydrophobicContact CB-CB 4.48Å; L3-L194 HydrophobicContact CB-CD2 4.46Å; L3-L194 HydrophobicContact CD2-CD2 4.08Å; K6-L194 HydrophobicContact CB-CD1 4.49Å; K6-L194 HydrophobicContact CG-CD1 4.43Å; M190-L194 HydrophobicContact CG-CD1 4.08Å; M190-L194 HydrophobicContact CG-CG 4.39Å; M190-L194 WeakPolarHBondContact O-CG 3.4Å; M190-L194 PolarHBondContact O-N 2.95Å; K191-L194 PolarHBondContact O-N 3.38Å; L194-Y196 PolarHBondContact O-N 3.2Å; L194-F197 PolarHBondContact O-N 3.15Å; L194-A198 WeakPolarHBondContact O-CB 3.44Å; L194-A198 PolarHBondContact O-N 2.99Å; L194-V411 HydrophobicContact CD1-CG1 4.05Å; L194-V411 HydrophobicContact CD2-CG1 3.79Å; L194-V411 HydrophobicContact CD2-CG2 3.84Å
195D94.3Very high94.9Very high58 Ų5837 Ų3731%0.3118%0.178SC..Hα-helixtrans-60.3-44.3178.8-74.1-19.9000111.3K191 K192 E193 K199K191-D195 IonicContact NZ-OD2 2.69Å; K191-D195 PolarHBondContact NZ-OD2 2.73Å; K191-D195 WeakPolarHBondContact O-CB 3.39Å; K191-D195 VanDerWaalsContact O-CG 3.26Å; K191-D195 PolarHBondContact O-N 3.19Å; K192-D195 PolarHBondContact O-N 3.32Å; E193-D195 PolarHBondContact O-N 3.03Å; D195-K199 WeakPolarHBondContact O-CG 3.49Å; D195-K199 PolarHBondContact O-N 3.18Å
196Y94.6Very high94.8Very high47 Ų4743.1 Ų43.118%0.18420%0.201CC..Hα-helixtrans-70.4-43.6178.3-84.9-73.5000112.5K192 E193 L194 A198 K199 A200 I368 I370 S390 H391K192-Y196 HydrophobicContact CG-CD2 3.98Å; K192-Y196 HydrophobicContact CG-CE2 3.98Å; K192-Y196 VanDerWaalsContact O-CD2 3.3Å; K192-Y196 WeakPolarHBondContact O-CD2 3.4Å; K192-Y196 PolarHBondContact O-N 3.4Å; K192-Y196 VanDerWaalsContact O-N 3.17Å; E193-Y196 PolarHBondContact O-N 2.85Å; L194-Y196 PolarHBondContact O-N 3.2Å; Y196-A198 VanDerWaalsContact C-N 3.31Å; Y196-A198 PolarHBondContact O-N 3.27Å; Y196-K199 WeakPolarHBondContact O-CB 3.44Å; Y196-K199 PolarHBondContact O-N 3.45Å; Y196-A200 PolarHBondContact O-N 2.88Å; Y196-I368 HydrophobicContact CD1-CG2 4.19Å; Y196-I368 HydrophobicContact CE1-CG2 4.19Å; Y196-I370 HydrophobicContact CD1-CD1 4.39Å; Y196-I370 HydrophobicContact CD1-CG1 4.12Å; Y196-I370 WeakPolarHBondContact O-CD1 3.36Å; Y196-S390 VanDerWaalsContact CZ-O 3.28Å; Y196-S390 PolarHBondContact OH-O 3.48Å; Y196-H391 HydrophobicContact CD1-CB 3.77Å; Y196-H391 HydrophobicContact CD2-CB 3.5Å; Y196-H391 VanDerWaalsContact CD2-CB 3.5Å; Y196-H391 AromaticContact CD2-CD2 4Å; Y196-H391 AromaticContact CD2-CG 3.42Å; Y196-H391 VanDerWaalsContact CD2-CG 3.42Å; Y196-H391 AromaticContact CD2-ND1 3.69Å; Y196-H391 HydrophobicContact CE1-CB 3.97Å; Y196-H391 HydrophobicContact CE2-CB 3.7Å; Y196-H391 AromaticContact CE2-CG 3.94Å; Y196-H391 HydrophobicContact CG-CB 3.54Å; Y196-H391 AromaticContact CG-CG 3.72Å
197F93.9Very high94.8Very high0 Ų045.4 Ų45.40%022%0.215CC..Hα-helixtrans-68.6-30.1176.8-75.4-67.3000112.8L3 F166 E193 L194 K199 A200 L201 I370 L402 L403L3-F197 HydrophobicContact CD1-CB 4.11Å; F166-F197 AromaticContact CE1-CE2 3.99Å; F166-F197 HydrophobicContact CE1-CE2 3.99Å; F166-F197 AromaticContact CZ-CD2 3.93Å; F166-F197 HydrophobicContact CZ-CD2 3.93Å; F166-F197 AromaticContact CZ-CE2 3.67Å; F166-F197 HydrophobicContact CZ-CE2 3.67Å; E193-F197 WeakPolarHBondContact O-CD2 3.46Å; E193-F197 PolarHBondContact O-N 3.27Å; L194-F197 PolarHBondContact O-N 3.15Å; F197-K199 VanDerWaalsContact C-N 3.33Å; F197-K199 PolarHBondContact O-N 2.9Å; F197-A200 PolarHBondContact O-N 3.25Å; F197-L201 HydrophobicContact CB-CD1 4.39Å; F197-L201 VanDerWaalsContact O-CB 3.3Å; F197-L201 WeakPolarHBondContact O-CB 3.4Å; F197-L201 WeakPolarHBondContact O-CG 3.13Å; F197-L201 PolarHBondContact O-N 3.38Å; F197-I370 HydrophobicContact CE1-CG2 4Å; F197-I370 HydrophobicContact CZ-CG2 4.1Å; F197-L402 HydrophobicContact CB-CD2 3.48Å; F197-L402 VanDerWaalsContact CB-CD2 3.48Å; F197-L402 HydrophobicContact CB-CG 4.32Å; F197-L402 HydrophobicContact CD1-CD2 4.19Å; F197-L402 HydrophobicContact CD2-CD2 3.66Å; F197-L402 HydrophobicContact CE2-CD2 4.5Å; F197-L402 HydrophobicContact CG-CD2 3.5Å; F197-L402 HydrophobicContact CG-CG 4.36Å; F197-L403 HydrophobicContact CD1-CD2 3.91Å; F197-L403 HydrophobicContact CD1-CG 4.2Å; F197-L403 HydrophobicContact CE1-CD1 4.07Å; F197-L403 HydrophobicContact CE1-CD2 3.84Å; F197-L403 HydrophobicContact CE1-CG 3.78Å
198A93.6Very high94.8Very high8 Ų845.4 Ų45.47%0.06622%0.215CC..Hα-helixtrans-60.9-42.6171.500000111.4L3 L194 Y196 A200 L201 E202 N203L3-A198 HydrophobicContact CB-CB 4.06Å; L194-A198 WeakPolarHBondContact O-CB 3.44Å; L194-A198 PolarHBondContact O-N 2.99Å; Y196-A198 VanDerWaalsContact C-N 3.31Å; Y196-A198 PolarHBondContact O-N 3.27Å; A198-A200 VanDerWaalsContact C-N 3.32Å; A198-A200 PolarHBondContact O-N 3.44Å; A198-L201 PolarHBondContact O-N 2.94Å; A198-E202 HydrophobicContact CB-CG 4.48Å; A198-E202 WeakPolarHBondContact O-CA 3.27Å; A198-E202 VanDerWaalsContact O-CB 3.26Å; A198-E202 WeakPolarHBondContact O-CB 3.48Å; A198-E202 PolarHBondContact O-N 3.28Å; A198-N203 PolarHBondContact O-N 3.37Å
199K92.7Very high94.9Very high91 Ų9143 Ų4340%0.39621%0.205SC..Hα-helixtrans-58.1-44.1173.7-66.5177.9-176.6-175.20111.3D195 Y196 F197 N203 P204 L333 I368D195-K199 WeakPolarHBondContact O-CG 3.49Å; D195-K199 PolarHBondContact O-N 3.18Å; Y196-K199 WeakPolarHBondContact O-CB 3.44Å; Y196-K199 PolarHBondContact O-N 3.45Å; F197-K199 VanDerWaalsContact C-N 3.33Å; F197-K199 PolarHBondContact O-N 2.9Å; K199-N203 CarbonylContact O-C 3.42Å; K199-P204 WeakPolarHBondContact O-CA 3.38Å; K199-L333 HydrophobicContact CB-CD1 4.24Å; K199-I368 HydrophobicContact CD-CD1 3.9Å
200A93.5Very high95Very high0 Ų041.8 Ų41.80%020%0.199CC..Hα-helixtrans-72.8-3818000000114.1Y196 F197 A198 F208 L333 V335 I370Y196-A200 PolarHBondContact O-N 2.88Å; F197-A200 PolarHBondContact O-N 3.25Å; A198-A200 VanDerWaalsContact C-N 3.32Å; A198-A200 PolarHBondContact O-N 3.44Å; A200-F208 HydrophobicContact CB-CZ 4.08Å; A200-F208 VanDerWaalsContact O-CE1 3.27Å; A200-F208 WeakPolarHBondContact O-CE1 3.5Å; A200-L333 HydrophobicContact CB-CD2 4.05Å; A200-V335 HydrophobicContact CB-CG2 3.83Å; A200-I370 HydrophobicContact CB-CD1 3.94Å
201L92Very high95.1Very high22 Ų2241.8 Ų41.812%0.11520%0.199CC..Hα-helixtrans-100.3-26.2-166.8-63.7175.4000114.3L3 F197 A198 K230 L402 L403L3-L201 HydrophobicContact CD1-CD1 4.34Å; F197-L201 HydrophobicContact CB-CD1 4.39Å; F197-L201 VanDerWaalsContact O-CB 3.3Å; F197-L201 WeakPolarHBondContact O-CB 3.4Å; F197-L201 WeakPolarHBondContact O-CG 3.13Å; F197-L201 PolarHBondContact O-N 3.38Å; A198-L201 PolarHBondContact O-N 2.94Å; L201-K230 HydrophobicContact CD2-CD 3.89Å; L201-K230 PolarHBondContact O-NZ 2.97Å; L201-L402 HydrophobicContact CD1-CD1 4.2Å; L201-L402 HydrophobicContact CD1-CG 3.78Å; L201-L402 WeakPolarHBondContact CD1-O 3.26Å; L201-L403 HydrophobicContact CD2-CD2 4.24Å
202E91.4Very high95.1Very high59 Ų5939.3 Ų39.328%0.27619%0.188SC..THydrogen-bonded Turntrans-101.6-57-178.2-54.4-177.817000111.3S2 L3 S4 A198S2-E202 WeakPolarHBondContact CA-OE1 3.42Å; S2-E202 PolarHBondContact OG-OE1 2.95Å; L3-E202 PolarHBondContact N-OE1 3.5Å; S4-E202 PolarHBondContact OG-OE2 3.18Å; S4-E202 VanDerWaalsContact OG-OE2 3.06Å; A198-E202 HydrophobicContact CB-CG 4.48Å; A198-E202 WeakPolarHBondContact O-CA 3.27Å; A198-E202 VanDerWaalsContact O-CB 3.26Å; A198-E202 WeakPolarHBondContact O-CB 3.48Å; A198-E202 PolarHBondContact O-N 3.28Å
203N88.2Confident95.1Very high134 Ų13434.3 Ų34.372%0.71717%0.166SC*.SBendtrans-134.968.1-173.9-62.8-61.5000112.5A198 K199A198-N203 PolarHBondContact O-N 3.37Å; K199-N203 CarbonylContact O-C 3.42Å
204P95.2Very high94.9Very high24 Ų2435.4 Ų35.416%0.15618%0.177CC..  trans-71.8134.8-175.327.7-34.4000113.2K199 F208 L333K199-P204 WeakPolarHBondContact O-CA 3.38Å; P204-F208 HydrophobicContact CB-CB 4.28Å; P204-F208 HydrophobicContact CB-CD1 3.53Å; P204-F208 HydrophobicContact CB-CE1 4.03Å; P204-F208 HydrophobicContact CB-CG 4.04Å; P204-F208 HydrophobicContact CG-CD1 3.9Å; P204-F208 HydrophobicContact CG-CE1 4.41Å; P204-L333 HydrophobicContact CB-CD1 4.31Å
205E96.3Very high94.8Very high96 Ų9637.6 Ų37.645%0.44920%0.196SC..  trans-65.4140.3165.7-66.9-169.5-148.500110.5K332 L333 I368E205-K332 HydrophobicContact CB-CB 3.87Å; E205-L333 HydrophobicContact CB-CB 4.37Å; E205-L333 WeakPolarHBondContact O-CB 3.26Å; E205-I368 WeakPolarHBondContact OE1-CD1 3.21Å
206R98Very high94.5Very high129 Ų12940.3 Ų40.349%0.48721%0.205SC..SBendtrans-118.2143.2-172.2-63.3-174.1179.6-77.3-1.7112.1K230 N232 K332R206-K230 PolarHBondContact NH1-O 3.11Å; R206-K230 PolarHBondContact NH2-O 3.07Å; R206-N232 WeakPolarHBondContact CG-OD1 3.14Å; R206-N232 PolarHBondContact NH1-OD1 3.44Å; R206-K332 WeakPolarHBondContact O-CG 3.45Å
207P98.1Very high94.2Very high48 Ų4838 Ų3831%0.31220%0.196SC..SBendcis-69130.74.5-21.434.5000113.9N232 R330 A331 K332 L333P207-N232 HydrophobicContact CB-CB 4.28Å; P207-R330 WeakPolarHBondContact CD-O 3.31Å; P207-A331 WeakPolarHBondContact O-CA 3.13Å; P207-K332 PolarHBondContact O-N 3.01Å; P207-L333 PolarHBondContact O-N 2.57Å
208F98.5Very high94Very high0 Ų039.1 Ų39.10%021%0.205CC..EExtended strand (participates in β ladder)trans-92.8120.5175.3178.1-167000108.8A200 P204 M227 K230 V231 N232 E233 L333 V335A200-F208 HydrophobicContact CB-CZ 4.08Å; A200-F208 VanDerWaalsContact O-CE1 3.27Å; A200-F208 WeakPolarHBondContact O-CE1 3.5Å; P204-F208 HydrophobicContact CB-CB 4.28Å; P204-F208 HydrophobicContact CB-CD1 3.53Å; P204-F208 HydrophobicContact CB-CE1 4.03Å; P204-F208 HydrophobicContact CB-CG 4.04Å; P204-F208 HydrophobicContact CG-CD1 3.9Å; P204-F208 HydrophobicContact CG-CE1 4.41Å; F208-M227 HydrophobicContact CE1-CE 3.56Å; F208-M227 HydrophobicContact CE2-CE 4.15Å; F208-M227 HydrophobicContact CZ-CE 3.27Å; F208-K230 HydrophobicContact CD1-CB 4.31Å; F208-K230 HydrophobicContact CE1-CB 4.06Å; F208-V231 HydrophobicContact CD1-CB 4.42Å; F208-V231 HydrophobicContact CD1-CG1 3.75Å; F208-V231 HydrophobicContact CD2-CG1 4.03Å; F208-V231 HydrophobicContact CE1-CG1 3.8Å; F208-V231 HydrophobicContact CE2-CG1 4Å; F208-V231 HydrophobicContact CG-CB 4.4Å; F208-V231 HydrophobicContact CG-CG1 3.88Å; F208-V231 HydrophobicContact CZ-CG1 3.93Å; F208-V231 WeakPolarHBondContact O-CB 3.24Å; F208-N232 PolarHBondContact N-OD1 3.45Å; F208-N232 VanDerWaalsContact N-OD1 3.08Å; F208-N232 PolarHBondContact O-N 2.92Å; F208-E233 PolarHBondContact O-N 3.46Å; F208-E233 VanDerWaalsContact O-N 3.14Å; F208-L333 HydrophobicContact CD2-CB 4.14Å; F208-L333 HydrophobicContact CD2-CD2 3.3Å; F208-L333 HydrophobicContact CD2-CG 4.3Å; F208-L333 WeakPolarHBondContact CD2-O 3.27Å; F208-L333 HydrophobicContact CE1-CD2 4.43Å; F208-L333 HydrophobicContact CE2-CD2 3.12Å; F208-L333 HydrophobicContact CE2-CG 4.48Å; F208-L333 HydrophobicContact CG-CD2 4.11Å; F208-L333 HydrophobicContact CZ-CD2 3.73Å; F208-V335 HydrophobicContact CE2-CB 4.07Å; F208-V335 HydrophobicContact CE2-CG2 3.69Å; F208-V335 HydrophobicContact CZ-CB 4.38Å; F208-V335 HydrophobicContact CZ-CG2 3.78Å
209L98.8Very high93.7Very high1 Ų143.8 Ų43.81%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-104.2129.3175.6171.562000111.5I211 E233 I235 V327 V328 A331 L333 I334 V335L209-I211 HydrophobicContact CD1-CG1 4.2Å; L209-I211 HydrophobicContact CD2-CD1 3.94Å; L209-I211 HydrophobicContact CD2-CG1 3.9Å; L209-I211 HydrophobicContact CG-CD1 4.37Å; L209-I211 HydrophobicContact CG-CG1 3.81Å; L209-E233 WeakPolarHBondContact CA-O 3.47Å; L209-E233 HydrophobicContact CB-CB 4.36Å; L209-E233 HydrophobicContact CD1-CB 3.72Å; L209-I235 HydrophobicContact CD1-CD1 4.27Å; L209-I235 HydrophobicContact CD1-CG1 4.12Å; L209-I235 HydrophobicContact CD2-CD1 4.33Å; L209-V327 HydrophobicContact CD1-CG1 3.74Å; L209-V327 HydrophobicContact CD2-CG1 3.98Å; L209-V327 HydrophobicContact CG-CG1 4.47Å; L209-V328 HydrophobicContact CD2-CG2 3.96Å; L209-A331 HydrophobicContact CB-CB 3.82Å; L209-A331 HydrophobicContact CD2-CB 4.27Å; L209-L333 PolarHBondContact N-O 3.31Å; L209-I334 HydrophobicContact CB-CG1 4.23Å; L209-I334 HydrophobicContact CD2-CD1 4.32Å; L209-I334 HydrophobicContact CD2-CG1 4.15Å; L209-I334 HydrophobicContact CD2-CG2 4.38Å; L209-I334 HydrophobicContact CG-CG2 4.49Å; L209-I334 VanDerWaalsContact O-CA 3.32Å; L209-I334 WeakPolarHBondContact O-CA 3.4Å; L209-V335 PolarHBondContact O-N 3.34Å
210A98.2Very high93.6Very high0 Ų040.5 Ų40.50%022%0.215CC..EExtended strand (participates in β ladder)trans-102.8134.3161.300000110.7M227 V231 E233 M234 I235 V335A210-M227 HydrophobicContact CB-CB 4.33Å; A210-M227 HydrophobicContact CB-CE 4.13Å; A210-M227 HydrophobicContact CB-CG 4.35Å; A210-V231 HydrophobicContact CB-CG1 3.64Å; A210-E233 PolarHBondContact N-O 3.32Å; A210-M234 HydrophobicContact CB-CE 4.35Å; A210-M234 CarbonylContact O-C 3.13Å; A210-M234 VanDerWaalsContact O-CA 3.24Å; A210-M234 WeakPolarHBondContact O-CA 3.48Å; A210-I235 PolarHBondContact O-N 3.43Å; A210-V335 CarbonylContact C-O 3.49Å; A210-V335 WeakPolarHBondContact CA-O 3.46Å
211I98.4Very high93.6Very high0 Ų041.9 Ų41.90%022%0.222CC..EExtended strand (participates in β ladder)trans-117.8117.9175.4-51.9176000107.7L209 I235 V328 I334 V335 W336 N337 L340 L355 I359L209-I211 HydrophobicContact CD1-CG1 4.2Å; L209-I211 HydrophobicContact CD2-CD1 3.94Å; L209-I211 HydrophobicContact CD2-CG1 3.9Å; L209-I211 HydrophobicContact CG-CD1 4.37Å; L209-I211 HydrophobicContact CG-CG1 3.81Å; I211-I235 HydrophobicContact CB-CB 4.42Å; I211-I235 HydrophobicContact CD1-CD1 4.42Å; I211-I235 HydrophobicContact CG1-CB 4.29Å; I211-I235 HydrophobicContact CG1-CD1 4.23Å; I211-I235 HydrophobicContact CG2-CB 4.06Å; I211-I235 HydrophobicContact CG2-CG2 3.98Å; I211-V328 HydrophobicContact CD1-CG2 4.26Å; I211-I334 HydrophobicContact CD1-CG2 3.68Å; I211-I334 HydrophobicContact CG1-CG2 4.12Å; I211-V335 PolarHBondContact N-O 3.11Å; I211-W336 HydrophobicContact CB-CB 4.15Å; I211-W336 HydrophobicContact CB-CG 4.03Å; I211-W336 HydrophobicContact CD1-CB 4.44Å; I211-W336 HydrophobicContact CD1-CG 4.47Å; I211-W336 VanDerWaalsContact CG2-CD1 3.47Å; I211-W336 HydrophobicContact CG2-CG 4.17Å; I211-W336 WeakPolarHBondContact O-CA 3.39Å; I211-N337 PolarHBondContact O-N 2.88Å; I211-L340 HydrophobicContact CG2-CD2 4.46Å; I211-L355 HydrophobicContact CD1-CD1 4.1Å; I211-L355 HydrophobicContact CD1-CD2 4.04Å; I211-L355 HydrophobicContact CD1-CG 4.42Å; I211-L355 HydrophobicContact CG2-CD2 3.69Å; I211-I359 HydrophobicContact CD1-CD1 3.74Å; I211-I359 HydrophobicContact CD1-CG1 4.44Å
212L97Very high93.7Very high1 Ų146.2 Ų46.21%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-117.7122.3-177.1-52.8-178.5000108.3L223 I224 M234 I235 I236 G237 M240 N337L212-L223 HydrophobicContact CD1-CG 4.48Å; L212-L223 HydrophobicContact CD2-CD2 3.57Å; L212-L223 HydrophobicContact CD2-CG 4.06Å; L212-I224 HydrophobicContact CD1-CB 4.47Å; L212-I224 HydrophobicContact CD1-CG1 3.53Å; L212-M234 HydrophobicContact CD1-CE 4.18Å; L212-M234 HydrophobicContact CD1-SD 3.99Å; L212-I235 PolarHBondContact N-O 2.84Å; L212-I236 WeakPolarHBondContact O-CA 3.45Å; L212-G237 PolarHBondContact O-N 3.47Å; L212-M240 HydrophobicContact CB-CE 3.42Å; L212-M240 VanDerWaalsContact CB-CE 3.42Å; L212-M240 WeakPolarHBondContact O-CE 3.21Å; L212-N337 WeakPolarHBondContact CA-O 3.32Å; L212-N337 HydrophobicContact CD2-CB 4.41Å
213G95.2Very high93.8Very high0 Ų043.4 Ų43.40%023%0.228CC..  trans-117.3-176.416900000112.1K220 M240 N337 G338 P339G213-K220 VanDerWaalsContact O-CE 3.28Å; G213-K220 WeakPolarHBondContact O-CE 3.46Å; G213-K220 PolarHBondContact O-NZ 2.77Å; G213-M240 WeakPolarHBondContact O-CE 3.39Å; G213-N337 PolarHBondContact N-O 2.75Å; G213-G338 WeakPolarHBondContact CA-O 3.44Å; G213-G338 PolarHBondContact N-O 3.43Å; G213-P339 VanDerWaalsContact CA-O 3.28Å; G213-P339 WeakPolarHBondContact CA-O 3.3Å
214G90.9Very high94.2Very high23 Ų2337 Ų3724%0.23719%0.194CC..SBendtrans113.2-174.6179.600000114.7G238 G239 M240 P339G214-G238 CarbonylContact O-C 3.48Å; G214-G239 WeakPolarHBondContact O-CA 3.46Å; G214-G239 PolarHBondContact O-N 2.96Å; G214-M240 PolarHBondContact O-N 3.41Å; G214-P339 PolarHBondContact N-O 3.05Å
215A91.4Very high94.2Very high49 Ų4938.5 Ų38.541%0.40520%0.198SC..SBendtrans-92-46.2-16300000115.3G239 M240 L257A215-G239 CarbonylContact O-C 3.58Å; A215-M240 PolarHBondContact O-N 2.92Å; A215-L257 HydrophobicContact CB-CD1 3.71Å
216K88.8Confident94.2Very high114 Ų11435.6 Ų35.650%0.49619%0.186SC..  trans-120.5143.9-172-64.8-179.9-178.4176.70111.4D219K216-D219 HydrophobicContact CB-CB 4.43Å
217V88.2Confident94.1Very high0 Ų029.5 Ų29.50%016%0.163CC..SBendtrans-75.3-39.5175.7-177.70000109.7D219 K220 I221 I224 M240 T243 F244 D259 I265 I269V217-D219 VanDerWaalsContact C-N 3.29Å; V217-D219 PolarHBondContact O-N 3.24Å; V217-K220 CarbonylContact O-C 3.52Å; V217-K220 WeakPolarHBondContact O-CA 3.46Å; V217-K220 PolarHBondContact O-N 3.32Å; V217-I221 WeakPolarHBondContact O-CG1 3.33Å; V217-I221 PolarHBondContact O-N 3.18Å; V217-I224 HydrophobicContact CG1-CD1 4.13Å; V217-M240 HydrophobicContact CG2-CB 3.87Å; V217-T243 HydrophobicContact CG2-CG2 4.03Å; V217-F244 HydrophobicContact CG1-CE2 4.02Å; V217-F244 HydrophobicContact CG1-CZ 4.24Å; V217-F244 HydrophobicContact CG2-CD2 4.15Å; V217-F244 HydrophobicContact CG2-CE2 3.71Å; V217-D259 WeakPolarHBondContact CA-OD2 3.44Å; V217-D259 PolarHBondContact N-OD2 3.38Å; V217-I265 HydrophobicContact CG1-CD1 4.38Å; V217-I269 HydrophobicContact CG1-CD1 4.17Å
218A89.2Confident94.1Very high23 Ų2327.2 Ų27.219%0.1915%0.148CC..G310 helixtrans-52.7-44.7-179.100000112.3K220 I221 D259A218-K220 PolarHBondContact O-N 3.47Å; A218-K220 VanDerWaalsContact O-N 3.16Å; A218-I221 HydrophobicContact CB-CD1 4.38Å; A218-I221 WeakPolarHBondContact O-CG1 3.43Å; A218-I221 PolarHBondContact O-N 3.38Å; A218-D259 VanDerWaalsContact CB-OD2 3.27Å; A218-D259 WeakPolarHBondContact CB-OD2 3.14Å; A218-D259 PolarHBondContact N-OD2 3.25Å
219D88.4Confident94Very high106 Ų10631.7 Ų31.757%0.56717%0.172SC*.G310 helixtrans-67.8-14.8179.3-60.6-17.9000112.9K216 V217K216-D219 HydrophobicContact CB-CB 4.43Å; V217-D219 VanDerWaalsContact C-N 3.29Å; V217-D219 PolarHBondContact O-N 3.24Å
220K90.5Very high93.8Very high22 Ų2234.4 Ų34.410%0.09618%0.184CC..G310 helixtrans-123.611.4-176-66.2-163.1172.9-161.10114G213 V217 A218 Q222 L223 I224 M240 N337G213-K220 VanDerWaalsContact O-CE 3.28Å; G213-K220 WeakPolarHBondContact O-CE 3.46Å; G213-K220 PolarHBondContact O-NZ 2.77Å; V217-K220 CarbonylContact O-C 3.52Å; V217-K220 WeakPolarHBondContact O-CA 3.46Å; V217-K220 PolarHBondContact O-N 3.32Å; A218-K220 PolarHBondContact O-N 3.47Å; A218-K220 VanDerWaalsContact O-N 3.16Å; K220-Q222 VanDerWaalsContact C-N 3.34Å; K220-Q222 PolarHBondContact O-N 3.06Å; K220-L223 HydrophobicContact CB-CB 4.5Å; K220-L223 HydrophobicContact CD-CD2 4.24Å; K220-L223 WeakPolarHBondContact O-CB 3.43Å; K220-L223 PolarHBondContact O-N 3.02Å; K220-I224 HydrophobicContact CB-CD1 4.36Å; K220-I224 WeakPolarHBondContact O-CG1 3.44Å; K220-I224 PolarHBondContact O-N 2.84Å; K220-M240 HydrophobicContact CD-CE 4.39Å; K220-M240 HydrophobicContact CD-SD 4.11Å; K220-N337 PolarHBondContact NZ-O 3.06Å; K220-N337 PolarHBondContact NZ-OD1 3.22Å
221I93.2Very high93.8Very high28 Ų2834.7 Ų34.714%0.14419%0.186CC..Hα-helixtrans-56.7-49.6-176.9-62.9173.3000111.1V217 A218 L223 I224 K225 I265V217-I221 WeakPolarHBondContact O-CG1 3.33Å; V217-I221 PolarHBondContact O-N 3.18Å; A218-I221 HydrophobicContact CB-CD1 4.38Å; A218-I221 WeakPolarHBondContact O-CG1 3.43Å; A218-I221 PolarHBondContact O-N 3.38Å; I221-L223 VanDerWaalsContact C-N 3.28Å; I221-L223 PolarHBondContact O-N 2.92Å; I221-I224 PolarHBondContact O-N 2.83Å; I221-K225 HydrophobicContact CG2-CD 3.9Å; I221-K225 HydrophobicContact CG2-CG 4.29Å; I221-K225 WeakPolarHBondContact O-CB 3.47Å; I221-K225 WeakPolarHBondContact O-CG 3.23Å; I221-K225 PolarHBondContact O-N 3.48Å; I221-I265 HydrophobicContact CB-CD1 4.21Å; I221-I265 HydrophobicContact CD1-CD1 3.29Å; I221-I265 HydrophobicContact CG1-CD1 3.35Å; I221-I265 HydrophobicContact CG2-CD1 3.85Å
222Q93.4Very high93.9Very high113 Ų11337.4 Ų37.453%0.52820%0.2SC..Hα-helixtrans-63.3-39.7-177.8-62.8-58-31.500110.8K220 K225 N226 E404K220-Q222 VanDerWaalsContact C-N 3.34Å; K220-Q222 PolarHBondContact O-N 3.06Å; Q222-K225 PolarHBondContact O-N 2.84Å; Q222-N226 WeakPolarHBondContact O-CB 3.23Å; Q222-N226 PolarHBondContact O-N 2.79Å; Q222-E404 HydrophobicContact CB-CB 4.13Å; Q222-E404 HydrophobicContact CB-CG 4.01Å
223L94.2Very high93.9Very high1 Ų138.4 Ų38.41%0.00521%0.205CC..Hα-helixtrans-62-51.8176.3176.963.3000110.7L212 K220 I221 K225 N226 M227 L400 L403 E404L212-L223 HydrophobicContact CD1-CG 4.48Å; L212-L223 HydrophobicContact CD2-CD2 3.57Å; L212-L223 HydrophobicContact CD2-CG 4.06Å; K220-L223 HydrophobicContact CB-CB 4.5Å; K220-L223 HydrophobicContact CD-CD2 4.24Å; K220-L223 WeakPolarHBondContact O-CB 3.43Å; K220-L223 PolarHBondContact O-N 3.02Å; I221-L223 VanDerWaalsContact C-N 3.28Å; I221-L223 PolarHBondContact O-N 2.92Å; L223-K225 PolarHBondContact O-N 3.27Å; L223-N226 PolarHBondContact O-N 3.44Å; L223-M227 HydrophobicContact CD1-CG 3.81Å; L223-M227 HydrophobicContact CD1-SD 4.41Å; L223-M227 HydrophobicContact CG-CG 4.33Å; L223-M227 VanDerWaalsContact O-CB 3.3Å; L223-M227 WeakPolarHBondContact O-CB 3.33Å; L223-M227 VanDerWaalsContact O-CG 3.22Å; L223-M227 WeakPolarHBondContact O-CG 3.45Å; L223-M227 PolarHBondContact O-N 2.88Å; L223-L400 HydrophobicContact CB-CD1 4.32Å; L223-L400 HydrophobicContact CD1-CD1 4.46Å; L223-L400 HydrophobicContact CD2-CD1 3.67Å; L223-L400 HydrophobicContact CG-CD1 4.38Å; L223-L403 HydrophobicContact CD1-CB 3.38Å; L223-L403 HydrophobicContact CD1-CD1 4.43Å; L223-E404 HydrophobicContact CB-CG 3.85Å
224I96.2Very high94.1Very high0 Ų038.4 Ų38.40%021%0.205CC..Hα-helixtrans-57.5-50.6179-67163.5000110L212 V217 K220 I221 N226 M227 L228 M234 I269L212-I224 HydrophobicContact CD1-CB 4.47Å; L212-I224 HydrophobicContact CD1-CG1 3.53Å; V217-I224 HydrophobicContact CG1-CD1 4.13Å; K220-I224 HydrophobicContact CB-CD1 4.36Å; K220-I224 WeakPolarHBondContact O-CG1 3.44Å; K220-I224 PolarHBondContact O-N 2.84Å; I221-I224 PolarHBondContact O-N 2.83Å; I224-N226 PolarHBondContact O-N 2.84Å; I224-M227 PolarHBondContact O-N 2.93Å; I224-L228 HydrophobicContact CG2-CD1 3.99Å; I224-L228 HydrophobicContact CG2-CG 4.26Å; I224-L228 WeakPolarHBondContact O-CB 3.48Å; I224-L228 VanDerWaalsContact O-CG 3.27Å; I224-L228 WeakPolarHBondContact O-CG 3.42Å; I224-L228 PolarHBondContact O-N 3.01Å; I224-M234 HydrophobicContact CG2-SD 4.3Å; I224-I269 HydrophobicContact CD1-CD1 4.39Å; I224-I269 HydrophobicContact CG2-CD1 4.17Å; I224-I269 HydrophobicContact CG2-CG1 4.3Å; I224-I269 HydrophobicContact CG2-CG2 3.68Å
225K95.5Very high94.5Very high55 Ų5537.3 Ų37.324%0.23919%0.193CC..Hα-helixtrans-59.9-47.4-178.2-75.3-174.9173.3-169.60111.8I221 Q222 L223 E268 K272I221-K225 HydrophobicContact CG2-CD 3.9Å; I221-K225 HydrophobicContact CG2-CG 4.29Å; I221-K225 WeakPolarHBondContact O-CB 3.47Å; I221-K225 WeakPolarHBondContact O-CG 3.23Å; I221-K225 PolarHBondContact O-N 3.48Å; Q222-K225 PolarHBondContact O-N 2.84Å; L223-K225 PolarHBondContact O-N 3.27Å; K225-E268 VanDerWaalsContact CE-OE1 3.25Å; K225-E268 WeakPolarHBondContact CE-OE1 3.38Å; K225-E268 IonicContact NZ-OE1 2.6Å; K225-E268 PolarHBondContact NZ-OE1 2.92Å; K225-E268 IonicContact NZ-OE2 3.69Å; K225-K272 WeakPolarHBondContact O-CE 3.38Å
226N95.7Very high94.8Very high34 Ų3435 Ų3518%0.18217%0.174CC..Hα-helixtrans-66.5-41178.7-174.659.8000111.9Q222 L223 I224 L228 D229 L403 G405Q222-N226 WeakPolarHBondContact O-CB 3.23Å; Q222-N226 PolarHBondContact O-N 2.79Å; L223-N226 PolarHBondContact O-N 3.44Å; I224-N226 PolarHBondContact O-N 2.84Å; N226-L228 PolarHBondContact O-N 2.87Å; N226-D229 PolarHBondContact O-N 2.89Å; N226-L403 PolarHBondContact ND2-O 3.42Å; N226-G405 PolarHBondContact ND2-N 2.85Å
227M96.8Very high95.2Very high1 Ų129.6 Ų29.61%0.00515%0.151CC..Hα-helixtrans-66.1-38.4179.2-71.8-44.9-48.500112.4F208 A210 L223 I224 D229 K230 V231 M234 L403F208-M227 HydrophobicContact CE1-CE 3.56Å; F208-M227 HydrophobicContact CE2-CE 4.15Å; F208-M227 HydrophobicContact CZ-CE 3.27Å; A210-M227 HydrophobicContact CB-CB 4.33Å; A210-M227 HydrophobicContact CB-CE 4.13Å; A210-M227 HydrophobicContact CB-CG 4.35Å; L223-M227 HydrophobicContact CD1-CG 3.81Å; L223-M227 HydrophobicContact CD1-SD 4.41Å; L223-M227 HydrophobicContact CG-CG 4.33Å; L223-M227 VanDerWaalsContact O-CB 3.3Å; L223-M227 WeakPolarHBondContact O-CB 3.33Å; L223-M227 VanDerWaalsContact O-CG 3.22Å; L223-M227 WeakPolarHBondContact O-CG 3.45Å; L223-M227 PolarHBondContact O-N 2.88Å; I224-M227 PolarHBondContact O-N 2.93Å; M227-D229 PolarHBondContact O-N 2.92Å; M227-D229 VanDerWaalsContact O-N 3.12Å; M227-K230 HydrophobicContact CE-CB 4.49Å; M227-K230 PolarHBondContact O-N 3.47Å; M227-V231 HydrophobicContact CB-CG1 4.46Å; M227-V231 HydrophobicContact CE-CG1 3.36Å; M227-V231 WeakPolarHBondContact O-CG2 3.36Å; M227-V231 PolarHBondContact O-N 2.92Å; M227-M234 HydrophobicContact CB-CE 3.7Å; M227-L403 HydrophobicContact SD-CD2 4.23Å
228L97.9Very high95.6Very high1 Ų130.1 Ų30.11%0.00516%0.156CC..Hα-helixtrans-59.4-21.1176.8-76.5179.3000113.7I224 N226 K230 M234 I269 K272 A273 N276 V278 I280I224-L228 HydrophobicContact CG2-CD1 3.99Å; I224-L228 HydrophobicContact CG2-CG 4.26Å; I224-L228 WeakPolarHBondContact O-CB 3.48Å; I224-L228 VanDerWaalsContact O-CG 3.27Å; I224-L228 WeakPolarHBondContact O-CG 3.42Å; I224-L228 PolarHBondContact O-N 3.01Å; N226-L228 PolarHBondContact O-N 2.87Å; L228-K230 VanDerWaalsContact C-N 3.3Å; L228-M234 HydrophobicContact CD2-CE 3.74Å; L228-M234 HydrophobicContact CD2-SD 4.1Å; L228-M234 HydrophobicContact CG-CE 3.92Å; L228-I269 HydrophobicContact CD1-CG2 3.96Å; L228-K272 HydrophobicContact CB-CD 4.17Å; L228-K272 HydrophobicContact CB-CG 4.3Å; L228-K272 HydrophobicContact CD1-CB 4.2Å; L228-K272 HydrophobicContact CD1-CD 4.03Å; L228-K272 HydrophobicContact CD1-CG 4.12Å; L228-A273 HydrophobicContact CD1-CB 4.34Å; L228-A273 HydrophobicContact CD2-CB 3.8Å; L228-N276 PolarHBondContact O-ND2 3.36Å; L228-V278 HydrophobicContact CD2-CB 3.95Å; L228-V278 HydrophobicContact CD2-CG1 3.77Å; L228-V278 HydrophobicContact CD2-CG2 4.07Å; L228-V278 WeakPolarHBondContact O-CG2 3.39Å; L228-I280 HydrophobicContact CD2-CD1 4.23Å
229D96.1Very high95.8Very high94 Ų9429.6 Ų29.650%0.50315%0.153SC..THydrogen-bonded Turntrans-82.2-7.9173.9-69.8-40.5000113.6N226 M227 K272 N276N226-D229 PolarHBondContact O-N 2.89Å; M227-D229 PolarHBondContact O-N 2.92Å; M227-D229 VanDerWaalsContact O-N 3.12Å; D229-K272 WeakPolarHBondContact OD1-CE 3.48Å; D229-K272 IonicContact OD1-NZ 3.52Å; D229-K272 PolarHBondContact OD1-NZ 3.49Å; D229-K272 WeakPolarHBondContact OD2-CE 3.44Å; D229-K272 IonicContact OD2-NZ 2.69Å; D229-K272 PolarHBondContact OD2-NZ 2.67Å; D229-N276 PolarHBondContact OD1-ND2 2.87Å
230K95.5Very high96.2Very high57 Ų5724.6 Ų24.625%0.24813%0.126CC..THydrogen-bonded Turntrans-122.1-37.8-171-62.6-177.4-178.4-66.10113.2L201 R206 F208 M227 L228L201-K230 HydrophobicContact CD2-CD 3.89Å; L201-K230 PolarHBondContact O-NZ 2.97Å; R206-K230 PolarHBondContact NH1-O 3.11Å; R206-K230 PolarHBondContact NH2-O 3.07Å; F208-K230 HydrophobicContact CD1-CB 4.31Å; F208-K230 HydrophobicContact CE1-CB 4.06Å; M227-K230 HydrophobicContact CE-CB 4.49Å; M227-K230 PolarHBondContact O-N 3.47Å; L228-K230 VanDerWaalsContact C-N 3.3Å
231V98.3Very high96.5Very high7 Ų723.5 Ų23.54%0.04212%0.122CC..  trans-83.6164.1-171.4-60.70000112.7F208 A210 M227 E233 M234 V278F208-V231 HydrophobicContact CD1-CB 4.42Å; F208-V231 HydrophobicContact CD1-CG1 3.75Å; F208-V231 HydrophobicContact CD2-CG1 4.03Å; F208-V231 HydrophobicContact CE1-CG1 3.8Å; F208-V231 HydrophobicContact CE2-CG1 4Å; F208-V231 HydrophobicContact CG-CB 4.4Å; F208-V231 HydrophobicContact CG-CG1 3.88Å; F208-V231 HydrophobicContact CZ-CG1 3.93Å; F208-V231 WeakPolarHBondContact O-CB 3.24Å; A210-V231 HydrophobicContact CB-CG1 3.64Å; M227-V231 HydrophobicContact CB-CG1 4.46Å; M227-V231 HydrophobicContact CE-CG1 3.36Å; M227-V231 WeakPolarHBondContact O-CG2 3.36Å; M227-V231 PolarHBondContact O-N 2.92Å; V231-E233 WeakPolarHBondContact CG2-O 3.45Å; V231-M234 HydrophobicContact CG2-CB 4.43Å; V231-M234 HydrophobicContact CG2-CE 4.18Å; V231-V278 HydrophobicContact CG2-CG1 3.71Å; V231-V278 HydrophobicContact CG2-CG2 4.22Å; V231-V278 WeakPolarHBondContact O-CG2 3.28Å
232N98.6Very high96.8Very high57 Ų5722.6 Ų22.631%0.30512%0.117SC..SBendtrans-101.2-32.5167-61.3101.7000111.3R206 P207 F208 V278 N279R206-N232 WeakPolarHBondContact CG-OD1 3.14Å; R206-N232 PolarHBondContact NH1-OD1 3.44Å; P207-N232 HydrophobicContact CB-CB 4.28Å; F208-N232 PolarHBondContact N-OD1 3.45Å; F208-N232 VanDerWaalsContact N-OD1 3.08Å; F208-N232 PolarHBondContact O-N 2.92Å; N232-V278 WeakPolarHBondContact O-CA 3.14Å; N232-N279 PolarHBondContact O-N 2.95Å
233E98.6Very high97Very high22 Ų2217.2 Ų17.210%0.1039%0.092CC..EExtended strand (participates in β ladder)trans-130.4144.5-176.7-62.6-97.1-158.900108.6F208 L209 A210 V231 N279 V327 R330F208-E233 PolarHBondContact O-N 3.46Å; F208-E233 VanDerWaalsContact O-N 3.14Å; L209-E233 WeakPolarHBondContact CA-O 3.47Å; L209-E233 HydrophobicContact CB-CB 4.36Å; L209-E233 HydrophobicContact CD1-CB 3.72Å; A210-E233 PolarHBondContact N-O 3.32Å; V231-E233 WeakPolarHBondContact CG2-O 3.45Å; E233-N279 CarbonylContact C-O 3.41Å; E233-N279 WeakPolarHBondContact CA-O 3.21Å; E233-N279 WeakPolarHBondContact OE2-CB 3.43Å; E233-N279 PolarHBondContact OE2-ND2 3.01Å; E233-V327 HydrophobicContact CB-CG1 4.1Å; E233-V327 HydrophobicContact CG-CG1 4.41Å; E233-R330 IonicContact OE1-CZ 2.77Å; E233-R330 IonicContact OE1-NE 2.62Å; E233-R330 PolarHBondContact OE1-NE 3.28Å; E233-R330 IonicContact OE1-NH2 3.54Å; E233-R330 PolarHBondContact OE1-NH2 3.17Å; E233-R330 IonicContact OE2-NH2 3.62Å
234M98.8Very high97.2Very high0 Ų017.2 Ų17.20%09%0.091CC..EExtended strand (participates in β ladder)trans-136.6131173.5-176.3176-73.400110.3A210 L212 I224 M227 L228 V231 I236 V278 N279 I280 T281A210-M234 HydrophobicContact CB-CE 4.35Å; A210-M234 CarbonylContact O-C 3.13Å; A210-M234 VanDerWaalsContact O-CA 3.24Å; A210-M234 WeakPolarHBondContact O-CA 3.48Å; L212-M234 HydrophobicContact CD1-CE 4.18Å; L212-M234 HydrophobicContact CD1-SD 3.99Å; I224-M234 HydrophobicContact CG2-SD 4.3Å; M227-M234 HydrophobicContact CB-CE 3.7Å; L228-M234 HydrophobicContact CD2-CE 3.74Å; L228-M234 HydrophobicContact CD2-SD 4.1Å; L228-M234 HydrophobicContact CG-CE 3.92Å; V231-M234 HydrophobicContact CG2-CB 4.43Å; V231-M234 HydrophobicContact CG2-CE 4.18Å; M234-I236 HydrophobicContact CG-CG1 4.08Å; M234-I236 HydrophobicContact SD-CD1 4.05Å; M234-I236 HydrophobicContact SD-CG1 4.07Å; M234-V278 HydrophobicContact CB-CG1 4.13Å; M234-N279 PolarHBondContact N-O 3.5Å; M234-I280 HydrophobicContact CB-CG1 4.27Å; M234-I280 CarbonylContact O-C 3.56Å; M234-I280 VanDerWaalsContact O-CA 3.32Å; M234-I280 WeakPolarHBondContact O-CA 3.07Å; M234-T281 PolarHBondContact O-N 3.2Å
235I98.7Very high97.3Very high0 Ų017.4 Ų17.40%09%0.092CC..EExtended strand (participates in β ladder)trans-101.3129.4166.9-70.7168.4000108.1L209 A210 I211 L212 T281 Y324 V327L209-I235 HydrophobicContact CD1-CD1 4.27Å; L209-I235 HydrophobicContact CD1-CG1 4.12Å; L209-I235 HydrophobicContact CD2-CD1 4.33Å; A210-I235 PolarHBondContact O-N 3.43Å; I211-I235 HydrophobicContact CB-CB 4.42Å; I211-I235 HydrophobicContact CD1-CD1 4.42Å; I211-I235 HydrophobicContact CG1-CB 4.29Å; I211-I235 HydrophobicContact CG1-CD1 4.23Å; I211-I235 HydrophobicContact CG2-CB 4.06Å; I211-I235 HydrophobicContact CG2-CG2 3.98Å; L212-I235 PolarHBondContact N-O 2.84Å; I235-T281 WeakPolarHBondContact CA-O 3.17Å; I235-Y324 HydrophobicContact CB-CE1 4.47Å; I235-Y324 HydrophobicContact CD1-CD1 3.81Å; I235-Y324 HydrophobicContact CD1-CE1 4.4Å; I235-Y324 HydrophobicContact CD1-CG 3.97Å; I235-Y324 HydrophobicContact CG1-CD1 4.03Å; I235-Y324 HydrophobicContact CG1-CE1 4.18Å; I235-Y324 HydrophobicContact CG2-CD1 4.01Å; I235-Y324 HydrophobicContact CG2-CD2 4.33Å; I235-Y324 HydrophobicContact CG2-CE1 3.54Å; I235-Y324 HydrophobicContact CG2-CE2 3.89Å; I235-Y324 HydrophobicContact CG2-CG 4.39Å; I235-Y324 VanDerWaalsContact CG2-CZ 3.47Å; I235-V327 HydrophobicContact CD1-CB 4.17Å; I235-V327 HydrophobicContact CD1-CG1 4.09Å; I235-V327 HydrophobicContact CG1-CG1 4.27Å
236I98.1Very high97.4Very high0 Ų018.5 Ų18.50%010%0.097CC..EExtended strand (participates in β ladder)trans-116.9109.3170.7-63.2-179.3000107.4L212 M234 M240 A241 F244 I280 T281 F282 P283L212-I236 WeakPolarHBondContact O-CA 3.45Å; M234-I236 HydrophobicContact CG-CG1 4.08Å; M234-I236 HydrophobicContact SD-CD1 4.05Å; M234-I236 HydrophobicContact SD-CG1 4.07Å; I236-M240 HydrophobicContact CG2-CE 4.01Å; I236-M240 HydrophobicContact CG2-CG 4.07Å; I236-M240 HydrophobicContact CG2-SD 4.46Å; I236-A241 HydrophobicContact CG2-CB 4.31Å; I236-A241 WeakPolarHBondContact O-CB 3.19Å; I236-F244 HydrophobicContact CD1-CD2 4.48Å; I236-F244 HydrophobicContact CD1-CE1 4.12Å; I236-F244 HydrophobicContact CD1-CE2 3.92Å; I236-F244 HydrophobicContact CD1-CZ 3.72Å; I236-F244 HydrophobicContact CG2-CD2 4Å; I236-F244 HydrophobicContact CG2-CE2 4.03Å; I236-I280 HydrophobicContact CD1-CG2 4Å; I236-I280 HydrophobicContact CG1-CG2 4.18Å; I236-T281 PolarHBondContact N-O 3.45Å; I236-T281 VanDerWaalsContact N-O 3.14Å; I236-F282 HydrophobicContact CB-CD1 3.89Å; I236-F282 HydrophobicContact CB-CE1 3.66Å; I236-F282 HydrophobicContact CD1-CE1 3.88Å; I236-F282 HydrophobicContact CD1-CZ 4.29Å; I236-F282 HydrophobicContact CG1-CE1 4.24Å; I236-F282 HydrophobicContact CG2-CD1 4.2Å; I236-F282 HydrophobicContact CG2-CE1 3.9Å; I236-P283 VanDerWaalsContact O-CD 3.23Å; I236-P283 WeakPolarHBondContact O-CD 3.49Å
237G97.3Very high97.5Very high1 Ų119.1 Ų19.11%0.0110%0.102CC..  trans-123.8-165.1176.900000112.7L212 M240L212-G237 PolarHBondContact O-N 3.47Å; G237-M240 WeakPolarHBondContact O-CG 3.41Å
238G95.8Very high97.5Very high10 Ų1022.3 Ų22.310%0.10312%0.119CC..SBendtrans67-168.6-175.100000113.3G214 M240 A241 L340G214-G238 CarbonylContact O-C 3.48Å; G238-M240 PolarHBondContact O-N 2.95Å; G238-A241 WeakPolarHBondContact O-CB 3.22Å; G238-A241 PolarHBondContact O-N 3.22Å; G238-A241 VanDerWaalsContact O-N 3.13Å; G238-L340 VanDerWaalsContact CA-O 3.3Å; G238-L340 WeakPolarHBondContact CA-O 3.38Å; G238-L340 PolarHBondContact N-O 2.97Å
239G95.2Very high97.4Very high13 Ų1326.6 Ų26.613%0.13414%0.142CC..Hα-helixtrans-55.4-33.8-18000000114.4G214 A215 A241 F242G214-G239 WeakPolarHBondContact O-CA 3.46Å; G214-G239 PolarHBondContact O-N 2.96Å; A215-G239 CarbonylContact O-C 3.58Å; G239-A241 VanDerWaalsContact C-N 3.26Å; G239-A241 PolarHBondContact O-N 2.97Å; G239-F242 VanDerWaalsContact O-CD2 3.29Å; G239-F242 WeakPolarHBondContact O-CD2 3.3Å; G239-F242 PolarHBondContact O-N 3.22Å
240M95.7Very high97.4Very high0 Ų028.7 Ų28.70%015%0.153CC..Hα-helixtrans-67.8-25.4-178.668.4178.5174.700113.3L212 G213 G214 A215 V217 K220 I236 G237 G238 F242 T243L212-M240 HydrophobicContact CB-CE 3.42Å; L212-M240 VanDerWaalsContact CB-CE 3.42Å; L212-M240 WeakPolarHBondContact O-CE 3.21Å; G213-M240 WeakPolarHBondContact O-CE 3.39Å; G214-M240 PolarHBondContact O-N 3.41Å; A215-M240 PolarHBondContact O-N 2.92Å; V217-M240 HydrophobicContact CG2-CB 3.87Å; K220-M240 HydrophobicContact CD-CE 4.39Å; K220-M240 HydrophobicContact CD-SD 4.11Å; I236-M240 HydrophobicContact CG2-CE 4.01Å; I236-M240 HydrophobicContact CG2-CG 4.07Å; I236-M240 HydrophobicContact CG2-SD 4.46Å; G237-M240 WeakPolarHBondContact O-CG 3.41Å; G238-M240 PolarHBondContact O-N 2.95Å; M240-F242 PolarHBondContact O-N 2.72Å; M240-T243 WeakPolarHBondContact O-CB 3.07Å; M240-T243 PolarHBondContact O-N 2.84Å; M240-T243 VanDerWaalsContact O-N 3.14Å
241A97.9Very high97.5Very high0 Ų026.4 Ų26.40%014%0.143CC..Hα-helixtrans-61.2-30.9177.500000112.5I236 G238 G239 T243 F244 L245 P283I236-A241 HydrophobicContact CG2-CB 4.31Å; I236-A241 WeakPolarHBondContact O-CB 3.19Å; G238-A241 WeakPolarHBondContact O-CB 3.22Å; G238-A241 PolarHBondContact O-N 3.22Å; G238-A241 VanDerWaalsContact O-N 3.13Å; G239-A241 VanDerWaalsContact C-N 3.26Å; G239-A241 PolarHBondContact O-N 2.97Å; A241-T243 VanDerWaalsContact C-N 3.26Å; A241-T243 PolarHBondContact O-N 3.4Å; A241-F244 WeakPolarHBondContact O-CB 3.22Å; A241-F244 PolarHBondContact O-N 2.72Å; A241-F244 VanDerWaalsContact O-N 3.14Å; A241-L245 WeakPolarHBondContact O-CG 3.43Å; A241-L245 PolarHBondContact O-N 3.01Å; A241-P283 HydrophobicContact CB-CG 3.75Å
242F98Very high97.5Very high9 Ų932.1 Ų32.14%0.03917%0.169CC..Hα-helixtrans-66.2-28.9178.1-60.8-64.1000112.9G239 M240 L245 K246 I253 F286 I307 A313G239-F242 VanDerWaalsContact O-CD2 3.29Å; G239-F242 WeakPolarHBondContact O-CD2 3.3Å; G239-F242 PolarHBondContact O-N 3.22Å; M240-F242 PolarHBondContact O-N 2.72Å; F242-L245 HydrophobicContact CD1-CD1 4.4Å; F242-K246 VanDerWaalsContact O-CB 3.22Å; F242-K246 WeakPolarHBondContact O-CB 3.41Å; F242-K246 PolarHBondContact O-N 3.24Å; F242-I253 HydrophobicContact CB-CB 4.45Å; F242-I253 HydrophobicContact CB-CD1 4.46Å; F242-I253 HydrophobicContact CB-CG2 4.11Å; F242-I253 HydrophobicContact CD1-CG2 4.33Å; F242-F286 HydrophobicContact CD1-CE1 4.4Å; F242-F286 AromaticContact CE1-CD1 3.5Å; F242-F286 HydrophobicContact CE1-CD1 3.5Å; F242-F286 AromaticContact CE1-CE1 3.43Å; F242-F286 HydrophobicContact CE1-CE1 3.43Å; F242-F286 VanDerWaalsContact CE1-CE1 3.43Å; F242-F286 HydrophobicContact CE1-CG 4.14Å; F242-F286 HydrophobicContact CE1-CZ 4.07Å; F242-F286 AromaticContact CZ-CD1 3.69Å; F242-F286 HydrophobicContact CZ-CD1 3.69Å; F242-F286 AromaticContact CZ-CE1 3.94Å; F242-F286 HydrophobicContact CZ-CE1 3.94Å; F242-F286 HydrophobicContact CZ-CG 4.48Å; F242-I307 HydrophobicContact CD1-CD1 4.02Å; F242-I307 HydrophobicContact CE1-CD1 3.71Å; F242-I307 HydrophobicContact CZ-CD1 4.49Å; F242-A313 HydrophobicContact CE1-CB 3.59Å; F242-A313 HydrophobicContact CE2-CB 3.81Å; F242-A313 HydrophobicContact CZ-CB 3.14Å
243T97.8Very high97.5Very high0 Ų029.6 Ų29.60%016%0.156CC..Hα-helixtrans-65.9-41.8173.4-59.20000110.7V217 M240 A241 V247 F258 D259 A263 V266V217-T243 HydrophobicContact CG2-CG2 4.03Å; M240-T243 WeakPolarHBondContact O-CB 3.07Å; M240-T243 PolarHBondContact O-N 2.84Å; M240-T243 VanDerWaalsContact O-N 3.14Å; A241-T243 VanDerWaalsContact C-N 3.26Å; A241-T243 PolarHBondContact O-N 3.4Å; T243-V247 VanDerWaalsContact O-CG2 3.3Å; T243-V247 WeakPolarHBondContact O-CG2 3.45Å; T243-V247 PolarHBondContact O-N 3.11Å; T243-F258 HydrophobicContact CG2-CD2 4.28Å; T243-F258 HydrophobicContact CG2-CE2 4.09Å; T243-D259 HydrophobicContact CG2-CB 4.34Å; T243-D259 WeakPolarHBondContact CG2-O 3.48Å; T243-D259 PolarHBondContact OG1-N 3.41Å; T243-A263 HydrophobicContact CG2-CB 3.89Å; T243-V266 HydrophobicContact CG2-CG2 4.25Å
244F98.1Very high97.4Very high0 Ų030 Ų300%017%0.166CC..Hα-helixtrans-65.5-50.6174-74.8-94.9000111.8V217 I236 A241 K246 V247 L248 V266 I269 M270 F282V217-F244 HydrophobicContact CG1-CE2 4.02Å; V217-F244 HydrophobicContact CG1-CZ 4.24Å; V217-F244 HydrophobicContact CG2-CD2 4.15Å; V217-F244 HydrophobicContact CG2-CE2 3.71Å; I236-F244 HydrophobicContact CD1-CD2 4.48Å; I236-F244 HydrophobicContact CD1-CE1 4.12Å; I236-F244 HydrophobicContact CD1-CE2 3.92Å; I236-F244 HydrophobicContact CD1-CZ 3.72Å; I236-F244 HydrophobicContact CG2-CD2 4Å; I236-F244 HydrophobicContact CG2-CE2 4.03Å; A241-F244 WeakPolarHBondContact O-CB 3.22Å; A241-F244 PolarHBondContact O-N 2.72Å; A241-F244 VanDerWaalsContact O-N 3.14Å; F244-K246 VanDerWaalsContact C-N 3.33Å; F244-K246 PolarHBondContact O-N 2.6Å; F244-V247 PolarHBondContact O-N 2.88Å; F244-V247 VanDerWaalsContact O-N 3.15Å; F244-L248 HydrophobicContact CB-CD1 4.33Å; F244-L248 HydrophobicContact CD1-CD1 4.31Å; F244-L248 VanDerWaalsContact O-CB 3.31Å; F244-L248 WeakPolarHBondContact O-CB 3.23Å; F244-L248 VanDerWaalsContact O-CG 3.27Å; F244-L248 WeakPolarHBondContact O-CG 3.48Å; F244-L248 PolarHBondContact O-N 3.1Å; F244-V266 HydrophobicContact CD1-CB 4.33Å; F244-V266 HydrophobicContact CD1-CG1 3.64Å; F244-V266 HydrophobicContact CD1-CG2 4.01Å; F244-V266 HydrophobicContact CE1-CB 4.44Å; F244-V266 HydrophobicContact CE1-CG1 4.1Å; F244-V266 HydrophobicContact CE1-CG2 4.14Å; F244-V266 HydrophobicContact CG-CG1 4.35Å; F244-V266 HydrophobicContact CG-CG2 4.22Å; F244-V266 HydrophobicContact CZ-CG2 4.47Å; F244-I269 HydrophobicContact CE1-CB 4.27Å; F244-I269 HydrophobicContact CE1-CD1 4.31Å; F244-I269 HydrophobicContact CE1-CG2 3.86Å; F244-I269 HydrophobicContact CZ-CD1 3.86Å; F244-I269 HydrophobicContact CZ-CG2 4.09Å; F244-M270 HydrophobicContact CD1-SD 4.36Å; F244-M270 HydrophobicContact CE1-SD 4.46Å; F244-F282 HydrophobicContact CB-CD1 4.03Å; F244-F282 HydrophobicContact CB-CE1 3.41Å; F244-F282 VanDerWaalsContact CB-CE1 3.41Å; F244-F282 HydrophobicContact CB-CZ 3.74Å; F244-F282 AromaticContact CD1-CE1 3.65Å; F244-F282 HydrophobicContact CD1-CE1 3.65Å; F244-F282 AromaticContact CD1-CZ 3.42Å; F244-F282 HydrophobicContact CD1-CZ 3.42Å; F244-F282 VanDerWaalsContact CD1-CZ 3.42Å; F244-F282 AromaticContact CD2-CE1 3.97Å; F244-F282 HydrophobicContact CD2-CE1 3.97Å; F244-F282 HydrophobicContact CE1-CE1 4.39Å; F244-F282 HydrophobicContact CE1-CZ 4.15Å; F244-F282 HydrophobicContact CG-CD1 4.41Å; F244-F282 AromaticContact CG-CE1 3.4Å; F244-F282 HydrophobicContact CG-CE1 3.4Å; F244-F282 VanDerWaalsContact CG-CE1 3.4Å; F244-F282 AromaticContact CG-CZ 3.68Å; F244-F282 HydrophobicContact CG-CZ 3.68Å
245L98.2Very high97.4Very high4 Ų433 Ų332%0.02119%0.191CC..Hα-helixtrans-61.9-39.3-178.1-68.7170.9000112.4A241 F242 N249 M251 F282 P283 F286 V303A241-L245 WeakPolarHBondContact O-CG 3.43Å; A241-L245 PolarHBondContact O-N 3.01Å; F242-L245 HydrophobicContact CD1-CD1 4.4Å; L245-N249 WeakPolarHBondContact O-CA 3.44Å; L245-N249 VanDerWaalsContact O-CB 3.29Å; L245-N249 WeakPolarHBondContact O-CB 3.31Å; L245-N249 PolarHBondContact O-N 3.33Å; L245-M251 HydrophobicContact CB-CB 4.38Å; L245-M251 HydrophobicContact CB-SD 3.92Å; L245-M251 HydrophobicContact CD1-SD 3.97Å; L245-M251 HydrophobicContact CG-SD 4.46Å; L245-F282 HydrophobicContact CD2-CB 4.11Å; L245-P283 HydrophobicContact CD1-CG 4.18Å; L245-F286 HydrophobicContact CD1-CE1 3.95Å; L245-F286 HydrophobicContact CD1-CZ 3.51Å; L245-V303 HydrophobicContact CD1-CG2 4.29Å; L245-V303 HydrophobicContact CD2-CG2 3.98Å
246K97.7Very high97.3Very high78 Ų7833.5 Ų33.534%0.33919%0.194SC..Hα-helixtrans-62.3-43.8174.4-176.8161.3-175.8158.60111.9F242 F244 N250 I253 F258F242-K246 VanDerWaalsContact O-CB 3.22Å; F242-K246 WeakPolarHBondContact O-CB 3.41Å; F242-K246 PolarHBondContact O-N 3.24Å; F244-K246 VanDerWaalsContact C-N 3.33Å; F244-K246 PolarHBondContact O-N 2.6Å; K246-N250 VanDerWaalsContact O-CA 3.23Å; K246-N250 WeakPolarHBondContact O-CA 3.24Å; K246-N250 PolarHBondContact O-N 2.77Å; K246-I253 HydrophobicContact CB-CD1 4.42Å; K246-I253 HydrophobicContact CB-CG2 4.13Å; K246-I253 HydrophobicContact CD-CD1 3.61Å; K246-I253 HydrophobicContact CD-CG1 3.99Å; K246-F258 HydrophobicContact CB-CE2 4.41Å; K246-F258 HydrophobicContact CD-CD2 3.91Å; K246-F258 HydrophobicContact CD-CE2 3.85Å; K246-F258 HydrophobicContact CD-CG 4.49Å; K246-F258 HydrophobicContact CD-CZ 4.36Å; K246-F258 HydrophobicContact CG-CE2 4.32Å
247V97.7Very high97.2Very high48 Ų4837.9 Ų37.929%0.29122%0.217SC..Hα-helixtrans-75.3-39.3-178173.70000112.6T243 F244 A263 V266T243-V247 VanDerWaalsContact O-CG2 3.3Å; T243-V247 WeakPolarHBondContact O-CG2 3.45Å; T243-V247 PolarHBondContact O-N 3.11Å; F244-V247 PolarHBondContact O-N 2.88Å; F244-V247 VanDerWaalsContact O-N 3.15Å; V247-A263 HydrophobicContact CG2-CB 3.88Å; V247-V266 HydrophobicContact CB-CB 4.23Å; V247-V266 HydrophobicContact CB-CG1 3.98Å; V247-V266 HydrophobicContact CB-CG2 4.43Å; V247-V266 HydrophobicContact CG1-CB 3.96Å; V247-V266 HydrophobicContact CG1-CG1 3.79Å; V247-V266 HydrophobicContact CG2-CG2 4.35Å
248L97.3Very high97.2Very high68 Ų6841.5 Ų41.536%0.35623%0.233SC..Hα-helixtrans-88-34.8-173.1-62.2177.5000113.1F244 V266 M270 F282F244-L248 HydrophobicContact CB-CD1 4.33Å; F244-L248 HydrophobicContact CD1-CD1 4.31Å; F244-L248 VanDerWaalsContact O-CB 3.31Å; F244-L248 WeakPolarHBondContact O-CB 3.23Å; F244-L248 VanDerWaalsContact O-CG 3.27Å; F244-L248 WeakPolarHBondContact O-CG 3.48Å; F244-L248 PolarHBondContact O-N 3.1Å; L248-V266 HydrophobicContact CD1-CG1 4.25Å; L248-V266 HydrophobicContact CD2-CG1 3.79Å; L248-V266 HydrophobicContact CG-CG1 3.83Å; L248-M270 HydrophobicContact CD1-CE 4.29Å; L248-M270 HydrophobicContact CD1-CG 3.85Å; L248-M270 HydrophobicContact CD1-SD 3.88Å; L248-M270 HydrophobicContact CD2-CG 3.87Å; L248-M270 HydrophobicContact CG-CG 4.49Å; L248-F282 HydrophobicContact CD1-CE2 3.87Å; L248-F282 HydrophobicContact CD1-CZ 4.16Å
249N96.4Very high97.2Very high90 Ų9041.8 Ų41.848%0.48123%0.232SC..Hα-helixtrans-112.6-1.3-174.2-60.487.2000113.1L245 M251 V303L245-N249 WeakPolarHBondContact O-CA 3.44Å; L245-N249 VanDerWaalsContact O-CB 3.29Å; L245-N249 WeakPolarHBondContact O-CB 3.31Å; L245-N249 PolarHBondContact O-N 3.33Å; N249-M251 HydrophobicContact CB-CB 4.27Å; N249-M251 PolarHBondContact O-N 2.7Å; N249-M251 VanDerWaalsContact O-N 3.16Å; N249-V303 HydrophobicContact CB-CG1 4.3Å
250N96.7Very high97.1Very high139 Ų13949 Ų4974%0.74326%0.26SS*.  trans5134.6-169.8-163.857.8000111.9K246K246-N250 VanDerWaalsContact O-CA 3.23Å; K246-N250 WeakPolarHBondContact O-CA 3.24Å; K246-N250 PolarHBondContact O-N 2.77Å
251M97.5Very high97.1Very high8 Ų855.5 Ų55.54%0.03929%0.29CS..  trans-73.5134.9-175.5-176.8-169.1163.900110.3L245 N249 F286 V303 I307L245-M251 HydrophobicContact CB-CB 4.38Å; L245-M251 HydrophobicContact CB-SD 3.92Å; L245-M251 HydrophobicContact CD1-SD 3.97Å; L245-M251 HydrophobicContact CG-SD 4.46Å; N249-M251 HydrophobicContact CB-CB 4.27Å; N249-M251 PolarHBondContact O-N 2.7Å; N249-M251 VanDerWaalsContact O-N 3.16Å; M251-F286 HydrophobicContact CE-CD2 3.95Å; M251-F286 HydrophobicContact CE-CE2 3.33Å; M251-F286 HydrophobicContact CE-CZ 3.98Å; M251-F286 HydrophobicContact SD-CE2 4.1Å; M251-F286 HydrophobicContact SD-CZ 4.26Å; M251-V303 HydrophobicContact SD-CB 4.26Å; M251-V303 HydrophobicContact SD-CG1 4.32Å; M251-V303 HydrophobicContact SD-CG2 4Å; M251-I307 HydrophobicContact CE-CD1 4.09Å; M251-I307 HydrophobicContact CE-CG1 3.9Å
252E98Very high96.8Very high127 Ų12755.5 Ų55.559%0.59329%0.29SS*.  trans-68.8128.3166.9-70.6-59.7157.400110.4G306 I307E252-G306 CarbonylContact O-C 3.48Å; E252-G306 WeakPolarHBondContact O-CA 3.37Å; E252-I307 PolarHBondContact O-N 3.48Å
253I97.9Very high96.7Very high4 Ų455.9 Ų55.92%0.02130%0.295CS..BIsolated β-bridgetrans-115.56.6-173.163.9171000113.7F242 K246 A255 S256 F258F242-I253 HydrophobicContact CB-CB 4.45Å; F242-I253 HydrophobicContact CB-CD1 4.46Å; F242-I253 HydrophobicContact CB-CG2 4.11Å; F242-I253 HydrophobicContact CD1-CG2 4.33Å; K246-I253 HydrophobicContact CB-CD1 4.42Å; K246-I253 HydrophobicContact CB-CG2 4.13Å; K246-I253 HydrophobicContact CD-CD1 3.61Å; K246-I253 HydrophobicContact CD-CG1 3.99Å; I253-A255 PolarHBondContact O-N 3.49Å; I253-S256 WeakPolarHBondContact O-CB 3.36Å; I253-S256 PolarHBondContact O-N 3.07Å; I253-S256 PolarHBondContact O-OG 2.86Å; I253-F258 HydrophobicContact CD1-CB 3.8Å; I253-F258 HydrophobicContact CD1-CD2 4.13Å; I253-F258 HydrophobicContact CD1-CG 4.22Å
254G97.4Very high96.6Very high31 Ų3161.2 Ų61.232%0.3233%0.328SS..THydrogen-bonded Turntrans54.4-130.6-177.100000112.6S256 I307 P308G254-S256 VanDerWaalsContact C-N 3.33Å; G254-I307 PolarHBondContact N-O 3.17Å; G254-P308 WeakPolarHBondContact CA-O 3.42Å
255A97.2Very high96.5Very high64 Ų6462.4 Ų62.453%0.52933%0.334SS..THydrogen-bonded Turntrans-91.213.2174.500000113.5I253 W311 V312I253-A255 PolarHBondContact O-N 3.49Å; A255-W311 PolarHBondContact N-O 3.32Å; A255-V312 HydrophobicContact CB-CB 4.46Å
256S97.8Very high96.4Very high9 Ų962.2 Ų62.26%0.06333%0.333CS..SBendtrans-66.9158.5178.6-46.50000112.7I253 G254 F258 I307 A313I253-S256 WeakPolarHBondContact O-CB 3.36Å; I253-S256 PolarHBondContact O-N 3.07Å; I253-S256 PolarHBondContact O-OG 2.86Å; G254-S256 VanDerWaalsContact C-N 3.33Å; S256-F258 PolarHBondContact O-N 3.33Å; S256-I307 WeakPolarHBondContact OG-CD1 3.44Å; S256-A313 PolarHBondContact OG-N 3.37Å
257L96.1Very high96.4Very high92 Ų9266 Ų6648%0.48235%0.349SS..  trans-58.7125.6-175.8-68.6171.4000111.3A215A215-L257 HydrophobicContact CB-CD1 3.71Å
258F96.7Very high96.3Very high78 Ų7868.4 Ų68.434%0.34236%0.358SS..  trans-127.5117.9174.3-177.1-118.9000110.1T243 K246 I253 S256 K260 A263T243-F258 HydrophobicContact CG2-CD2 4.28Å; T243-F258 HydrophobicContact CG2-CE2 4.09Å; K246-F258 HydrophobicContact CB-CE2 4.41Å; K246-F258 HydrophobicContact CD-CD2 3.91Å; K246-F258 HydrophobicContact CD-CE2 3.85Å; K246-F258 HydrophobicContact CD-CG 4.49Å; K246-F258 HydrophobicContact CD-CZ 4.36Å; K246-F258 HydrophobicContact CG-CE2 4.32Å; I253-F258 HydrophobicContact CD1-CB 3.8Å; I253-F258 HydrophobicContact CD1-CD2 4.13Å; I253-F258 HydrophobicContact CD1-CG 4.22Å; S256-F258 PolarHBondContact O-N 3.33Å; F258-K260 HydrophobicContact CD1-CG 3.79Å; F258-K260 HydrophobicContact CE1-CB 4.4Å; F258-K260 HydrophobicContact CE1-CG 3.62Å; F258-A263 HydrophobicContact CE2-CB 3.84Å; F258-A263 HydrophobicContact CZ-CB 3.65Å
259D95Very high96.3Very high15 Ų1565.3 Ų65.38%0.0834%0.341CS..  trans-94.599.8176.1-179.91.7000109.6V217 A218 T243 E261 G262 A263V217-D259 WeakPolarHBondContact CA-OD2 3.44Å; V217-D259 PolarHBondContact N-OD2 3.38Å; A218-D259 VanDerWaalsContact CB-OD2 3.27Å; A218-D259 WeakPolarHBondContact CB-OD2 3.14Å; A218-D259 PolarHBondContact N-OD2 3.25Å; T243-D259 HydrophobicContact CG2-CB 4.34Å; T243-D259 WeakPolarHBondContact CG2-O 3.48Å; T243-D259 PolarHBondContact OG1-N 3.41Å; D259-E261 VanDerWaalsContact C-N 3.29Å; D259-E261 PolarHBondContact O-N 3.05Å; D259-E261 PolarHBondContact OD1-N 3.12Å; D259-G262 VanDerWaalsContact CG-N 3.31Å; D259-G262 PolarHBondContact O-N 2.82Å; D259-G262 PolarHBondContact OD1-N 3.17Å; D259-A263 WeakPolarHBondContact O-CB 3.44Å; D259-A263 PolarHBondContact O-N 3.44Å
260K95Very high96.4Very high166 Ų16663.5 Ų63.572%0.72233%0.33SS*.Hα-helixtrans-59.9-38.7-179.4-71.8-179.2178.6-179.20112.5F258F258-K260 HydrophobicContact CD1-CG 3.79Å; F258-K260 HydrophobicContact CE1-CB 4.4Å; F258-K260 HydrophobicContact CE1-CG 3.62Å
261E94.4Very high96.5Very high135 Ų13559.4 Ų59.463%0.63132%0.316SS*.Hα-helixtrans-69.9-48.5179-176.1177.2176.700109.5D259 A263 T264D259-E261 VanDerWaalsContact C-N 3.29Å; D259-E261 PolarHBondContact O-N 3.05Å; D259-E261 PolarHBondContact OD1-N 3.12Å; E261-A263 VanDerWaalsContact C-N 3.28Å; E261-A263 PolarHBondContact O-N 2.93Å; E261-T264 PolarHBondContact O-N 3.44Å; E261-T264 PolarHBondContact O-OG1 3.06Å
262G93Very high96.5Very high0 Ų061.4 Ų61.40%033%0.325CS..Hα-helixtrans-56.9-3517400000114.7D259 T264 I265D259-G262 VanDerWaalsContact CG-N 3.31Å; D259-G262 PolarHBondContact O-N 2.82Å; D259-G262 PolarHBondContact OD1-N 3.17Å; G262-T264 PolarHBondContact O-N 3.01Å; G262-I265 WeakPolarHBondContact O-CG1 3.21Å; G262-I265 PolarHBondContact O-N 3.07Å
263A95.8Very high96.6Very high17 Ų1755.5 Ų55.514%0.1430%0.297CS..Hα-helixtrans-59.9-32.3178.900000112.9T243 V247 F258 D259 E261 I265 V266T243-A263 HydrophobicContact CG2-CB 3.89Å; V247-A263 HydrophobicContact CG2-CB 3.88Å; F258-A263 HydrophobicContact CE2-CB 3.84Å; F258-A263 HydrophobicContact CZ-CB 3.65Å; D259-A263 WeakPolarHBondContact O-CB 3.44Å; D259-A263 PolarHBondContact O-N 3.44Å; E261-A263 VanDerWaalsContact C-N 3.28Å; E261-A263 PolarHBondContact O-N 2.93Å; A263-I265 PolarHBondContact O-N 3.21Å; A263-V266 PolarHBondContact O-N 3.23Å
264T95.6Very high96.6Very high113 Ų11362.8 Ų62.869%0.69333%0.331SS*.THydrogen-bonded Turntrans-66.9-23.3-176.867.10000113.4E261 G262E261-T264 PolarHBondContact O-N 3.44Å; E261-T264 PolarHBondContact O-OG1 3.06Å; G262-T264 PolarHBondContact O-N 3.01Å
265I95Very high96.6Very high24 Ų2469.5 Ų69.512%0.12335%0.352CS..THydrogen-bonded Turntrans-109-2.3-175.358.7165.2000113.6V217 I221 G262 A263 K267 E268 I269V217-I265 HydrophobicContact CG1-CD1 4.38Å; I221-I265 HydrophobicContact CB-CD1 4.21Å; I221-I265 HydrophobicContact CD1-CD1 3.29Å; I221-I265 HydrophobicContact CG1-CD1 3.35Å; I221-I265 HydrophobicContact CG2-CD1 3.85Å; G262-I265 WeakPolarHBondContact O-CG1 3.21Å; G262-I265 PolarHBondContact O-N 3.07Å; A263-I265 PolarHBondContact O-N 3.21Å; I265-K267 VanDerWaalsContact C-N 3.27Å; I265-K267 PolarHBondContact O-N 3.35Å; I265-E268 WeakPolarHBondContact O-CB 3.32Å; I265-E268 PolarHBondContact O-N 2.77Å; I265-I269 HydrophobicContact CD1-CD1 3.93Å; I265-I269 HydrophobicContact CG1-CD1 4.18Å; I265-I269 WeakPolarHBondContact O-CG1 3.18Å; I265-I269 PolarHBondContact O-N 3.32Å
266V97Very high96.7Very high0 Ų069.1 Ų69.10%034%0.34CS..Hα-helixtrans-54.4-45.1-178.6163.50000111.3T243 F244 V247 L248 A263 E268 I269 M270T243-V266 HydrophobicContact CG2-CG2 4.25Å; F244-V266 HydrophobicContact CD1-CB 4.33Å; F244-V266 HydrophobicContact CD1-CG1 3.64Å; F244-V266 HydrophobicContact CD1-CG2 4.01Å; F244-V266 HydrophobicContact CE1-CB 4.44Å; F244-V266 HydrophobicContact CE1-CG1 4.1Å; F244-V266 HydrophobicContact CE1-CG2 4.14Å; F244-V266 HydrophobicContact CG-CG1 4.35Å; F244-V266 HydrophobicContact CG-CG2 4.22Å; F244-V266 HydrophobicContact CZ-CG2 4.47Å; V247-V266 HydrophobicContact CB-CB 4.23Å; V247-V266 HydrophobicContact CB-CG1 3.98Å; V247-V266 HydrophobicContact CB-CG2 4.43Å; V247-V266 HydrophobicContact CG1-CB 3.96Å; V247-V266 HydrophobicContact CG1-CG1 3.79Å; V247-V266 HydrophobicContact CG2-CG2 4.35Å; L248-V266 HydrophobicContact CD1-CG1 4.25Å; L248-V266 HydrophobicContact CD2-CG1 3.79Å; L248-V266 HydrophobicContact CG-CG1 3.83Å; A263-V266 PolarHBondContact O-N 3.23Å; V266-E268 VanDerWaalsContact C-N 3.32Å; V266-E268 PolarHBondContact O-N 2.97Å; V266-I269 PolarHBondContact O-N 2.95Å; V266-M270 HydrophobicContact CG1-CG 4.46Å; V266-M270 WeakPolarHBondContact O-CG 3.26Å; V266-M270 PolarHBondContact O-N 3.49Å
267K96.5Very high96.7Very high158 Ų15879.3 Ų79.369%0.68738%0.377SS*.Hα-helixtrans-64-36.5179.1-67.1-177.4178.2178.90112.4I265 M270 A271I265-K267 VanDerWaalsContact C-N 3.27Å; I265-K267 PolarHBondContact O-N 3.35Å; K267-M270 PolarHBondContact O-N 2.98Å; K267-A271 WeakPolarHBondContact O-CB 3.3Å; K267-A271 PolarHBondContact O-N 3.42Å
268E96.9Very high96.8Very high99 Ų9975.4 Ų75.446%0.46336%0.357SS..Hα-helixtrans-65.5-44.2175.2-171.5-161.5147.100111K225 I265 V266 M270 A271 K272K225-E268 VanDerWaalsContact CE-OE1 3.25Å; K225-E268 WeakPolarHBondContact CE-OE1 3.38Å; K225-E268 IonicContact NZ-OE1 2.6Å; K225-E268 PolarHBondContact NZ-OE1 2.92Å; K225-E268 IonicContact NZ-OE2 3.69Å; I265-E268 WeakPolarHBondContact O-CB 3.32Å; I265-E268 PolarHBondContact O-N 2.77Å; V266-E268 VanDerWaalsContact C-N 3.32Å; V266-E268 PolarHBondContact O-N 2.97Å; E268-M270 PolarHBondContact O-N 3.35Å; E268-A271 PolarHBondContact O-N 3Å; E268-K272 PolarHBondContact O-N 3.43Å
269I97.5Very high96.9Very high2 Ų275.6 Ų75.61%0.0136%0.362CS..Hα-helixtrans-59.3-48176.3-69171.8000110.4V217 I224 L228 F244 I265 V266 K272 A273V217-I269 HydrophobicContact CG1-CD1 4.17Å; I224-I269 HydrophobicContact CD1-CD1 4.39Å; I224-I269 HydrophobicContact CG2-CD1 4.17Å; I224-I269 HydrophobicContact CG2-CG1 4.3Å; I224-I269 HydrophobicContact CG2-CG2 3.68Å; L228-I269 HydrophobicContact CD1-CG2 3.96Å; F244-I269 HydrophobicContact CE1-CB 4.27Å; F244-I269 HydrophobicContact CE1-CD1 4.31Å; F244-I269 HydrophobicContact CE1-CG2 3.86Å; F244-I269 HydrophobicContact CZ-CD1 3.86Å; F244-I269 HydrophobicContact CZ-CG2 4.09Å; I265-I269 HydrophobicContact CD1-CD1 3.93Å; I265-I269 HydrophobicContact CG1-CD1 4.18Å; I265-I269 WeakPolarHBondContact O-CG1 3.18Å; I265-I269 PolarHBondContact O-N 3.32Å; V266-I269 PolarHBondContact O-N 2.95Å; I269-K272 PolarHBondContact O-N 2.94Å; I269-A273 WeakPolarHBondContact O-CB 3.25Å; I269-A273 PolarHBondContact O-N 3.32Å
270M98.1Very high97.1Very high52 Ų5275.8 Ų75.826%0.25636%0.363SS..Hα-helixtrans-63.7-41.8178.8-65.6-50.8-62.300112.2F244 L248 V266 K267 E268 K272 A273 E274 I280 F282F244-M270 HydrophobicContact CD1-SD 4.36Å; F244-M270 HydrophobicContact CE1-SD 4.46Å; L248-M270 HydrophobicContact CD1-CE 4.29Å; L248-M270 HydrophobicContact CD1-CG 3.85Å; L248-M270 HydrophobicContact CD1-SD 3.88Å; L248-M270 HydrophobicContact CD2-CG 3.87Å; L248-M270 HydrophobicContact CG-CG 4.49Å; V266-M270 HydrophobicContact CG1-CG 4.46Å; V266-M270 WeakPolarHBondContact O-CG 3.26Å; V266-M270 PolarHBondContact O-N 3.49Å; K267-M270 PolarHBondContact O-N 2.98Å; E268-M270 PolarHBondContact O-N 3.35Å; M270-K272 PolarHBondContact O-N 3.02Å; M270-A273 WeakPolarHBondContact O-CB 3.01Å; M270-A273 PolarHBondContact O-N 3.13Å; M270-E274 PolarHBondContact O-N 3.16Å; M270-I280 HydrophobicContact CE-CD1 4.28Å; M270-I280 HydrophobicContact SD-CD1 3.81Å; M270-F282 HydrophobicContact CE-CE2 4.19Å; M270-F282 HydrophobicContact SD-CE2 4.03Å; M270-F282 HydrophobicContact SD-CZ 3.94Å
271A98.2Very high97.2Very high53 Ų5368.2 Ų68.244%0.43833%0.33SS..Hα-helixtrans-63.5-39.9176.500000112.3K267 E268 E274 K275K267-A271 WeakPolarHBondContact O-CB 3.3Å; K267-A271 PolarHBondContact O-N 3.42Å; E268-A271 PolarHBondContact O-N 3Å; A271-E274 PolarHBondContact O-N 3.49Å; A271-K275 WeakPolarHBondContact O-CB 3.23Å; A271-K275 PolarHBondContact O-N 3.37Å
272K98.4Very high97.4Very high51 Ų5162.8 Ų62.822%0.22231%0.305CS..Hα-helixtrans-64.7-41.7174.1-178.3178.2172.273.20111.5K225 L228 D229 E268 I269 M270 K275 N276K225-K272 WeakPolarHBondContact O-CE 3.38Å; L228-K272 HydrophobicContact CB-CD 4.17Å; L228-K272 HydrophobicContact CB-CG 4.3Å; L228-K272 HydrophobicContact CD1-CB 4.2Å; L228-K272 HydrophobicContact CD1-CD 4.03Å; L228-K272 HydrophobicContact CD1-CG 4.12Å; D229-K272 WeakPolarHBondContact OD1-CE 3.48Å; D229-K272 IonicContact OD1-NZ 3.52Å; D229-K272 PolarHBondContact OD1-NZ 3.49Å; D229-K272 WeakPolarHBondContact OD2-CE 3.44Å; D229-K272 IonicContact OD2-NZ 2.69Å; D229-K272 PolarHBondContact OD2-NZ 2.67Å; E268-K272 PolarHBondContact O-N 3.43Å; I269-K272 PolarHBondContact O-N 2.94Å; M270-K272 PolarHBondContact O-N 3.02Å; K272-K275 PolarHBondContact O-N 3.04Å; K272-N276 WeakPolarHBondContact O-CB 3.39Å; K272-N276 PolarHBondContact O-N 2.75Å
273A98.5Very high97.7Very high2 Ų263.1 Ų63.12%0.01731%0.307CS..Hα-helixtrans-61.4-47176.900000111.6L228 I269 M270 N276 R277 V278 I280L228-A273 HydrophobicContact CD1-CB 4.34Å; L228-A273 HydrophobicContact CD2-CB 3.8Å; I269-A273 WeakPolarHBondContact O-CB 3.25Å; I269-A273 PolarHBondContact O-N 3.32Å; M270-A273 WeakPolarHBondContact O-CB 3.01Å; M270-A273 PolarHBondContact O-N 3.13Å; A273-N276 CarbonylContact O-C 3.56Å; A273-N276 PolarHBondContact O-N 3.46Å; A273-R277 PolarHBondContact O-N 3.18Å; A273-V278 HydrophobicContact CB-CB 4.2Å; A273-V278 PolarHBondContact O-N 3.39Å; A273-I280 HydrophobicContact CB-CD1 3.41Å; A273-I280 VanDerWaalsContact CB-CD1 3.41Å; A273-I280 HydrophobicContact CB-CG1 3.88Å
274E98.2Very high97.8Very high158 Ų15864.8 Ų64.874%0.73832%0.315SS*.Hα-helixtrans-59.4-49.1175.1-176.3177.8-168.900111.6M270 A271 N276 R277M270-E274 PolarHBondContact O-N 3.16Å; A271-E274 PolarHBondContact O-N 3.49Å; E274-N276 VanDerWaalsContact C-N 3.26Å; E274-N276 PolarHBondContact O-N 3.19Å; E274-R277 PolarHBondContact O-N 3.37Å
275K98.4Very high98Very high172 Ų17260.1 Ų60.175%0.74829%0.286SS*.Hα-helixtrans-54.1-43.4176.2177.2-176.8173.7-178.70112.1A271 K272 R277A271-K275 WeakPolarHBondContact O-CB 3.23Å; A271-K275 PolarHBondContact O-N 3.37Å; K272-K275 PolarHBondContact O-N 3.04Å; K275-R277 VanDerWaalsContact C-N 3.29Å
276N98.3Very high98.1Very high55 Ų5559.1 Ų59.129%0.29428%0.281SS..THydrogen-bonded Turntrans-87.22.8-178.7-70-0.1000113.1L228 D229 K272 A273 E274 V278L228-N276 PolarHBondContact O-ND2 3.36Å; D229-N276 PolarHBondContact OD1-ND2 2.87Å; K272-N276 WeakPolarHBondContact O-CB 3.39Å; K272-N276 PolarHBondContact O-N 2.75Å; A273-N276 CarbonylContact O-C 3.56Å; A273-N276 PolarHBondContact O-N 3.46Å; E274-N276 VanDerWaalsContact C-N 3.26Å; E274-N276 PolarHBondContact O-N 3.19Å; N276-V278 HydrophobicContact CB-CG2 3.94Å; N276-V278 PolarHBondContact O-N 2.93Å
277R98.3Very high98.2Very high223 Ų22360 Ų6084%0.84229%0.286SS*.THydrogen-bonded Turntrans55.437.1-176.4-52.9178.5-176.5176.50112.9A273 E274 K275A273-R277 PolarHBondContact O-N 3.18Å; E274-R277 PolarHBondContact O-N 3.37Å; K275-R277 VanDerWaalsContact C-N 3.29Å
278V98.6Very high98.3Very high10 Ų1052.7 Ų52.76%0.06126%0.255CS..PPolyproline II helixtrans-86.9124173.3-177.80000109.2L228 V231 N232 M234 A273 N276 I280L228-V278 HydrophobicContact CD2-CB 3.95Å; L228-V278 HydrophobicContact CD2-CG1 3.77Å; L228-V278 HydrophobicContact CD2-CG2 4.07Å; L228-V278 WeakPolarHBondContact O-CG2 3.39Å; V231-V278 HydrophobicContact CG2-CG1 3.71Å; V231-V278 HydrophobicContact CG2-CG2 4.22Å; V231-V278 WeakPolarHBondContact O-CG2 3.28Å; N232-V278 WeakPolarHBondContact O-CA 3.14Å; M234-V278 HydrophobicContact CB-CG1 4.13Å; A273-V278 HydrophobicContact CB-CB 4.2Å; A273-V278 PolarHBondContact O-N 3.39Å; N276-V278 HydrophobicContact CB-CG2 3.94Å; N276-V278 PolarHBondContact O-N 2.93Å; V278-I280 HydrophobicContact CG1-CG1 4.4Å
279N98.4Very high98.4Very high82 Ų8248 Ų4844%0.43923%0.233SC..EExtended strand (participates in β ladder)trans-83.4116.7172.2-178.140.4000110.1N232 E233 M234N232-N279 PolarHBondContact O-N 2.95Å; E233-N279 CarbonylContact C-O 3.41Å; E233-N279 WeakPolarHBondContact CA-O 3.21Å; E233-N279 WeakPolarHBondContact OE2-CB 3.43Å; E233-N279 PolarHBondContact OE2-ND2 3.01Å; M234-N279 PolarHBondContact N-O 3.5Å
280I98.5Very high98.4Very high20 Ų2051 Ų5110%0.10325%0.249CC..EExtended strand (participates in β ladder)trans-98.2125.2176.9-56-177.6000109.8L228 M234 I236 M270 A273 V278 F282L228-I280 HydrophobicContact CD2-CD1 4.23Å; M234-I280 HydrophobicContact CB-CG1 4.27Å; M234-I280 CarbonylContact O-C 3.56Å; M234-I280 VanDerWaalsContact O-CA 3.32Å; M234-I280 WeakPolarHBondContact O-CA 3.07Å; I236-I280 HydrophobicContact CD1-CG2 4Å; I236-I280 HydrophobicContact CG1-CG2 4.18Å; M270-I280 HydrophobicContact CE-CD1 4.28Å; M270-I280 HydrophobicContact SD-CD1 3.81Å; A273-I280 HydrophobicContact CB-CD1 3.41Å; A273-I280 VanDerWaalsContact CB-CD1 3.41Å; A273-I280 HydrophobicContact CB-CG1 3.88Å; V278-I280 HydrophobicContact CG1-CG1 4.4Å; I280-F282 HydrophobicContact CB-CE2 4.33Å; I280-F282 HydrophobicContact CB-CZ 4.47Å; I280-F282 HydrophobicContact CG2-CD2 4.26Å; I280-F282 HydrophobicContact CG2-CE1 3.93Å; I280-F282 HydrophobicContact CG2-CE2 3.65Å; I280-F282 HydrophobicContact CG2-CZ 3.46Å; I280-F282 VanDerWaalsContact CG2-CZ 3.46Å
281T98.6Very high98.3Very high6 Ų652.8 Ų52.84%0.03726%0.255CS..EExtended strand (participates in β ladder)trans-108.7117.7177.6-580000110.7M234 I235 I236 K323 Y324 V327M234-T281 PolarHBondContact O-N 3.2Å; I235-T281 WeakPolarHBondContact CA-O 3.17Å; I236-T281 PolarHBondContact N-O 3.45Å; I236-T281 VanDerWaalsContact N-O 3.14Å; T281-K323 HydrophobicContact CG2-CD 3.72Å; T281-K323 HydrophobicContact CG2-CG 3.96Å; T281-Y324 HydrophobicContact CG2-CD1 3.96Å; T281-Y324 HydrophobicContact CG2-CE1 3.84Å; T281-V327 HydrophobicContact CG2-CG2 4.32Å
282F98.4Very high98.2Very high22 Ų2256.4 Ų56.410%0.09626%0.261CS..  trans-99.5158.7172.5-62.8-70.4000111.9I236 F244 L245 L248 M270 I280I236-F282 HydrophobicContact CB-CD1 3.89Å; I236-F282 HydrophobicContact CB-CE1 3.66Å; I236-F282 HydrophobicContact CD1-CE1 3.88Å; I236-F282 HydrophobicContact CD1-CZ 4.29Å; I236-F282 HydrophobicContact CG1-CE1 4.24Å; I236-F282 HydrophobicContact CG2-CD1 4.2Å; I236-F282 HydrophobicContact CG2-CE1 3.9Å; F244-F282 HydrophobicContact CB-CD1 4.03Å; F244-F282 HydrophobicContact CB-CE1 3.41Å; F244-F282 VanDerWaalsContact CB-CE1 3.41Å; F244-F282 HydrophobicContact CB-CZ 3.74Å; F244-F282 AromaticContact CD1-CE1 3.65Å; F244-F282 HydrophobicContact CD1-CE1 3.65Å; F244-F282 AromaticContact CD1-CZ 3.42Å; F244-F282 HydrophobicContact CD1-CZ 3.42Å; F244-F282 VanDerWaalsContact CD1-CZ 3.42Å; F244-F282 AromaticContact CD2-CE1 3.97Å; F244-F282 HydrophobicContact CD2-CE1 3.97Å; F244-F282 HydrophobicContact CE1-CE1 4.39Å; F244-F282 HydrophobicContact CE1-CZ 4.15Å; F244-F282 HydrophobicContact CG-CD1 4.41Å; F244-F282 AromaticContact CG-CE1 3.4Å; F244-F282 HydrophobicContact CG-CE1 3.4Å; F244-F282 VanDerWaalsContact CG-CE1 3.4Å; F244-F282 AromaticContact CG-CZ 3.68Å; F244-F282 HydrophobicContact CG-CZ 3.68Å; L245-F282 HydrophobicContact CD2-CB 4.11Å; L248-F282 HydrophobicContact CD1-CE2 3.87Å; L248-F282 HydrophobicContact CD1-CZ 4.16Å; M270-F282 HydrophobicContact CE-CE2 4.19Å; M270-F282 HydrophobicContact SD-CE2 4.03Å; M270-F282 HydrophobicContact SD-CZ 3.94Å; I280-F282 HydrophobicContact CB-CE2 4.33Å; I280-F282 HydrophobicContact CB-CZ 4.47Å; I280-F282 HydrophobicContact CG2-CD2 4.26Å; I280-F282 HydrophobicContact CG2-CE1 3.93Å; I280-F282 HydrophobicContact CG2-CE2 3.65Å; I280-F282 HydrophobicContact CG2-CZ 3.46Å; I280-F282 VanDerWaalsContact CG2-CZ 3.46Å
283P98.3Very high98.1Very high6 Ų658.5 Ų58.54%0.03927%0.272CS..  trans-63.1147.9169.828.6-35.6000111.3I236 A241 L245 F286 C316 T320 Y324I236-P283 VanDerWaalsContact O-CD 3.23Å; I236-P283 WeakPolarHBondContact O-CD 3.49Å; A241-P283 HydrophobicContact CB-CG 3.75Å; L245-P283 HydrophobicContact CD1-CG 4.18Å; P283-F286 HydrophobicContact CB-CD1 4.35Å; P283-F286 HydrophobicContact CB-CE1 3.63Å; P283-F286 HydrophobicContact CB-CZ 4.32Å; P283-F286 HydrophobicContact CG-CE1 3.64Å; P283-F286 HydrophobicContact CG-CZ 4.35Å; P283-C316 HydrophobicContact CB-CB 4.29Å; P283-T320 WeakPolarHBondContact CA-OG1 3.46Å; P283-T320 HydrophobicContact CB-CG2 3.74Å; P283-Y324 VanDerWaalsContact CD-OH 3.24Å; P283-Y324 WeakPolarHBondContact CD-OH 3.48Å
284V98.4Very high98Very high52 Ų5263.6 Ų63.632%0.31530%0.295SS..  trans-117.3-18.3-176.9-63.50000113.2T302 V303 E319 T320 K323V284-T302 WeakPolarHBondContact O-CA 3.27Å; V284-V303 PolarHBondContact O-N 2.79Å; V284-E319 HydrophobicContact CG2-CB 4.08Å; V284-T320 PolarHBondContact N-OG1 3.48Å; V284-K323 HydrophobicContact CG1-CD 4.26Å
285D98.6Very high97.8Very high15 Ų1563.1 Ų63.18%0.0830%0.298CS..EExtended strand (participates in β ladder)trans-146158.4177.467.8-23.7000110.4A301 T302 G317 P318 E319 T320D285-A301 CarbonylContact C-O 3.52Å; D285-A301 VanDerWaalsContact CA-O 3.3Å; D285-A301 WeakPolarHBondContact CA-O 3.22Å; D285-T302 HydrophobicContact CB-CG2 4.25Å; D285-G317 VanDerWaalsContact CG-C 3.5Å; D285-G317 PolarHBondContact O-N 3.34Å; D285-G317 VanDerWaalsContact OD1-C 3.25Å; D285-G317 WeakPolarHBondContact OD1-CA 3.43Å; D285-G317 PolarHBondContact OD1-N 2.57Å; D285-G317 WeakPolarHBondContact OD2-CA 3.49Å; D285-P318 WeakPolarHBondContact OD2-CD 3.26Å; D285-P318 VanDerWaalsContact OD2-N 3.11Å; D285-E319 PolarHBondContact OD1-N 2.65Å; D285-E319 WeakPolarHBondContact OD2-CB 3.45Å; D285-E319 PolarHBondContact OD2-N 2.73Å; D285-T320 PolarHBondContact N-OG1 3.28Å; D285-T320 PolarHBondContact O-OG1 3.42Å; D285-T320 WeakPolarHBondContact OD1-CB 3.39Å; D285-T320 PolarHBondContact OD1-N 2.81Å; D285-T320 PolarHBondContact OD1-OG1 2.85Å
286F98.7Very high97.8Very high3 Ų355.4 Ų55.41%0.01327%0.266CS..EExtended strand (participates in β ladder)trans-142.7144-164.3-46-77.4000111.2F242 L245 M251 P283 I288 Q300 A301 V303 A313 D315F242-F286 HydrophobicContact CD1-CE1 4.4Å; F242-F286 AromaticContact CE1-CD1 3.5Å; F242-F286 HydrophobicContact CE1-CD1 3.5Å; F242-F286 AromaticContact CE1-CE1 3.43Å; F242-F286 HydrophobicContact CE1-CE1 3.43Å; F242-F286 VanDerWaalsContact CE1-CE1 3.43Å; F242-F286 HydrophobicContact CE1-CG 4.14Å; F242-F286 HydrophobicContact CE1-CZ 4.07Å; F242-F286 AromaticContact CZ-CD1 3.69Å; F242-F286 HydrophobicContact CZ-CD1 3.69Å; F242-F286 AromaticContact CZ-CE1 3.94Å; F242-F286 HydrophobicContact CZ-CE1 3.94Å; F242-F286 HydrophobicContact CZ-CG 4.48Å; L245-F286 HydrophobicContact CD1-CE1 3.95Å; L245-F286 HydrophobicContact CD1-CZ 3.51Å; M251-F286 HydrophobicContact CE-CD2 3.95Å; M251-F286 HydrophobicContact CE-CE2 3.33Å; M251-F286 HydrophobicContact CE-CZ 3.98Å; M251-F286 HydrophobicContact SD-CE2 4.1Å; M251-F286 HydrophobicContact SD-CZ 4.26Å; P283-F286 HydrophobicContact CB-CD1 4.35Å; P283-F286 HydrophobicContact CB-CE1 3.63Å; P283-F286 HydrophobicContact CB-CZ 4.32Å; P283-F286 HydrophobicContact CG-CE1 3.64Å; P283-F286 HydrophobicContact CG-CZ 4.35Å; F286-I288 HydrophobicContact CB-CG2 4.06Å; F286-Q300 WeakPolarHBondContact O-CA 3.4Å; F286-A301 HydrophobicContact CD2-CB 4.31Å; F286-A301 PolarHBondContact N-O 3.03Å; F286-A301 PolarHBondContact O-N 2.7Å; F286-A301 VanDerWaalsContact O-N 3.07Å; F286-V303 HydrophobicContact CE2-CG2 3.95Å; F286-V303 HydrophobicContact CZ-CG2 3.86Å; F286-A313 HydrophobicContact CB-CB 3.99Å; F286-A313 HydrophobicContact CD1-CB 4.46Å; F286-A313 HydrophobicContact CG-CB 4.33Å; F286-D315 WeakPolarHBondContact CA-O 3.5Å
287V98.5Very high97.7Very high19 Ų1959.4 Ų59.412%0.11528%0.281CS..EExtended strand (participates in β ladder)trans-89.8122.4160.7-171.70000107.2V298 L314 D315 F348V287-V298 HydrophobicContact CG1-CG1 3.52Å; V287-L314 PolarHBondContact O-N 2.71Å; V287-D315 HydrophobicContact CB-CB 4.1Å; V287-D315 HydrophobicContact CG2-CB 4.33Å; V287-D315 PolarHBondContact N-O 2.98Å; V287-D315 PolarHBondContact O-N 3.47Å; V287-F348 HydrophobicContact CB-CD1 4.44Å; V287-F348 HydrophobicContact CG1-CD1 3.89Å; V287-F348 HydrophobicContact CG1-CE1 3.97Å
288I98.6Very high97.7Very high5 Ų552.3 Ų52.33%0.02626%0.262CS..EExtended strand (participates in β ladder)trans-115.5157.8-175.263.3168.3000111.1F286 V298 G299 A301 I307 W311 V312 A313F286-I288 HydrophobicContact CB-CG2 4.06Å; I288-V298 CarbonylContact O-C 3.5Å; I288-V298 WeakPolarHBondContact O-CA 3.4Å; I288-G299 PolarHBondContact N-O 2.85Å; I288-G299 PolarHBondContact O-N 2.83Å; I288-A301 HydrophobicContact CD1-CB 4.19Å; I288-A301 HydrophobicContact CG2-CB 3.86Å; I288-I307 HydrophobicContact CG2-CG1 4.18Å; I288-I307 HydrophobicContact CG2-CG2 4.2Å; I288-W311 HydrophobicContact CB-CE3 4.13Å; I288-W311 HydrophobicContact CD1-CB 4.15Å; I288-W311 HydrophobicContact CD1-CD2 3.9Å; I288-W311 HydrophobicContact CD1-CE3 3.46Å; I288-W311 VanDerWaalsContact CD1-CE3 3.46Å; I288-W311 HydrophobicContact CD1-CG 4.22Å; I288-W311 HydrophobicContact CD1-CZ3 4.16Å; I288-W311 HydrophobicContact CG1-CD2 4.47Å; I288-W311 HydrophobicContact CG1-CE3 3.57Å; I288-W311 HydrophobicContact CG1-CZ3 4.04Å; I288-V312 CarbonylContact C-O 3.48Å; I288-V312 VanDerWaalsContact CA-O 3.23Å; I288-V312 WeakPolarHBondContact CA-O 3.43Å; I288-A313 HydrophobicContact CG2-CB 3.92Å
289A98.5Very high97.7Very high0 Ų052.8 Ų52.80%027%0.269CS..EExtended strand (participates in β ladder)trans-129.3150.5176.800000110.6K291 A296 K297 W311 V312 L314 F348A289-K291 VanDerWaalsContact CB-O 3.24Å; A289-K291 WeakPolarHBondContact CB-O 3.39Å; A289-K291 PolarHBondContact O-N 2.9Å; A289-A296 HydrophobicContact CB-CB 3.79Å; A289-K297 WeakPolarHBondContact CA-O 3.34Å; A289-W311 CarbonylContact O-C 3.54Å; A289-W311 VanDerWaalsContact O-CA 3.27Å; A289-W311 WeakPolarHBondContact O-CA 3.19Å; A289-V312 HydrophobicContact CB-CG1 4.07Å; A289-V312 PolarHBondContact N-O 2.7Å; A289-V312 PolarHBondContact O-N 3.37Å; A289-L314 HydrophobicContact CB-CD1 3.63Å; A289-L314 HydrophobicContact CB-CG 4.31Å; A289-F348 HydrophobicContact CB-CE1 3.99Å; A289-F348 HydrophobicContact CB-CZ 3.65Å
290D97.9Very high97.7Very high64 Ų6456.3 Ų56.334%0.34228%0.283SS..SBendtrans-74.4-11.4174.166.8-23.4000113.3A296 K297 W311D290-A296 WeakPolarHBondContact OD1-CB 3.29Å; D290-K297 HydrophobicContact CB-CB 4.33Å; D290-K297 PolarHBondContact N-O 3.48Å; D290-K297 PolarHBondContact OD1-N 3.25Å; D290-W311 HydrophobicContact CB-CD2 4.22Å; D290-W311 HydrophobicContact CB-CE3 4.31Å; D290-W311 HydrophobicContact CB-CH2 4.13Å; D290-W311 HydrophobicContact CB-CZ2 4.03Å; D290-W311 HydrophobicContact CB-CZ3 4.26Å
291K96.7Very high97.7Very high90 Ų9055.6 Ų55.639%0.39128%0.28SS..SBendtrans-161.4162.9174.355.8-172.4172.7154.80111.2A289 E293 A296A289-K291 VanDerWaalsContact CB-O 3.24Å; A289-K291 WeakPolarHBondContact CB-O 3.39Å; A289-K291 PolarHBondContact O-N 2.9Å; K291-E293 VanDerWaalsContact C-N 3.3Å; K291-E293 HydrophobicContact CD-CG 4.23Å; K291-E293 VanDerWaalsContact CE-OE2 3.24Å; K291-E293 WeakPolarHBondContact CE-OE2 3.35Å; K291-E293 HydrophobicContact CG-CB 4.25Å; K291-E293 HydrophobicContact CG-CG 4.23Å; K291-E293 IonicContact NZ-OE1 2.73Å; K291-E293 IonicContact NZ-OE2 2.7Å; K291-E293 PolarHBondContact NZ-OE2 2.81Å; K291-E293 PolarHBondContact O-N 2.96Å; K291-A296 HydrophobicContact CG-CB 3.76Å; K291-A296 VanDerWaalsContact O-CB 3.29Å; K291-A296 WeakPolarHBondContact O-CB 3.5Å
292F96.2Very high97.7Very high130 Ų13058.2 Ų58.257%0.5730%0.296SS*.SBendtrans-81.772.4177.5-166.9-89.3000110.9L314 V342 W345F292-L314 HydrophobicContact CD2-CD1 4.45Å; F292-L314 HydrophobicContact CD2-CD2 3.44Å; F292-L314 VanDerWaalsContact CD2-CD2 3.44Å; F292-L314 HydrophobicContact CE2-CD2 3.59Å; F292-V342 HydrophobicContact CE2-CG2 3.89Å; F292-V342 HydrophobicContact CZ-CG2 4.08Å; F292-W345 AromaticContact CD1-CH2 3.6Å; F292-W345 HydrophobicContact CD1-CH2 3.6Å; F292-W345 HydrophobicContact CD1-CZ3 4.21Å; F292-W345 AromaticContact CE1-CH2 3.52Å; F292-W345 HydrophobicContact CE1-CH2 3.52Å; F292-W345 HydrophobicContact CE1-CZ2 4.31Å; F292-W345 HydrophobicContact CE1-CZ3 4.16Å; F292-W345 HydrophobicContact CG-CH2 4.19Å; F292-W345 HydrophobicContact CG-CZ3 4.38Å; F292-W345 HydrophobicContact CZ-CH2 4.07Å; F292-W345 HydrophobicContact CZ-CZ3 4.31Å
293E95.6Very high97.6Very high95 Ų9558.9 Ų58.944%0.44430%0.302SS..SBendtrans-144.6152.4178.3-67.2178.1-16200111K291 N295 A296 W345K291-E293 VanDerWaalsContact C-N 3.3Å; K291-E293 HydrophobicContact CD-CG 4.23Å; K291-E293 VanDerWaalsContact CE-OE2 3.24Å; K291-E293 WeakPolarHBondContact CE-OE2 3.35Å; K291-E293 HydrophobicContact CG-CB 4.25Å; K291-E293 HydrophobicContact CG-CG 4.23Å; K291-E293 IonicContact NZ-OE1 2.73Å; K291-E293 IonicContact NZ-OE2 2.7Å; K291-E293 PolarHBondContact NZ-OE2 2.81Å; K291-E293 PolarHBondContact O-N 2.96Å; E293-N295 VanDerWaalsContact C-N 3.29Å; E293-N295 PolarHBondContact O-N 3.43Å; E293-A296 HydrophobicContact CB-CB 4.48Å; E293-A296 VanDerWaalsContact O-CB 3.26Å; E293-A296 WeakPolarHBondContact O-CB 3.49Å; E293-A296 PolarHBondContact O-N 2.82Å; E293-W345 VanDerWaalsContact C-CZ3 3.49Å
294E96.1Very high97.5Very high109 Ų10963.5 Ų63.551%0.50934%0.34SS..THydrogen-bonded Turntrans-56.2-40.6-179.7-175169-162.300113.3W345E294-W345 HydrophobicContact CB-CD2 3.96Å; E294-W345 HydrophobicContact CB-CG 3.85Å; E294-W345 HydrophobicContact CG-CB 4.2Å; E294-W345 VanDerWaalsContact CG-CD1 3.5Å; E294-W345 HydrophobicContact CG-CD2 4.45Å; E294-W345 HydrophobicContact CG-CG 3.81Å
295N95.1Very high97.5Very high147 Ų14764.9 Ų64.979%0.78635%0.352SS*.THydrogen-bonded Turntrans-101.623.8-176.4-61.5-54.1000113E293E293-N295 VanDerWaalsContact C-N 3.29Å; E293-N295 PolarHBondContact O-N 3.43Å
296A96.7Very high97.4Very high10 Ų1064.5 Ų64.58%0.08335%0.352CS..PPolyproline II helixtrans-64.3158.3177.800000112.2A289 D290 K291 E293 V298A289-A296 HydrophobicContact CB-CB 3.79Å; D290-A296 WeakPolarHBondContact OD1-CB 3.29Å; K291-A296 HydrophobicContact CG-CB 3.76Å; K291-A296 VanDerWaalsContact O-CB 3.29Å; K291-A296 WeakPolarHBondContact O-CB 3.5Å; E293-A296 HydrophobicContact CB-CB 4.48Å; E293-A296 VanDerWaalsContact O-CB 3.26Å; E293-A296 WeakPolarHBondContact O-CB 3.49Å; E293-A296 PolarHBondContact O-N 2.82Å; A296-V298 PolarHBondContact O-N 2.95Å
297K97.8Very high97.4Very high140 Ų14064.5 Ų64.561%0.60935%0.352SS*.PPolyproline II helixtrans-69.4120.8173.3-175.7-179177179.40108.8A289 D290 W311A289-K297 WeakPolarHBondContact CA-O 3.34Å; D290-K297 HydrophobicContact CB-CB 4.33Å; D290-K297 PolarHBondContact N-O 3.48Å; D290-K297 PolarHBondContact OD1-N 3.25Å; K297-W311 HydrophobicContact CB-CH2 4.44Å; K297-W311 HydrophobicContact CD-CH2 4.1Å; K297-W311 HydrophobicContact CG-CH2 4.12Å; K297-W311 VanDerWaalsContact O-CZ3 3.26Å; K297-W311 WeakPolarHBondContact O-CZ3 3.4Å
298V98.2Very high97.4Very high74 Ų7466.7 Ų66.745%0.44837%0.367SS..EExtended strand (participates in β ladder)trans-85.3139.8-179.5-177.10000111V287 I288 A296 A347 F348V287-V298 HydrophobicContact CG1-CG1 3.52Å; I288-V298 CarbonylContact O-C 3.5Å; I288-V298 WeakPolarHBondContact O-CA 3.4Å; A296-V298 PolarHBondContact O-N 2.95Å; V298-A347 HydrophobicContact CG2-CB 3.94Å; V298-F348 HydrophobicContact CG2-CE1 4.25Å; V298-F348 HydrophobicContact CG2-CZ 4.03Å
299G98.1Very high97.3Very high20 Ų2071 Ų7121%0.20640%0.403CS..EExtended strand (participates in β ladder)trans-139.9-173.2172.400000111.4I288I288-G299 PolarHBondContact N-O 2.85Å; I288-G299 PolarHBondContact O-N 2.83Å
300Q98.3Very high97.2Very high156 Ų15673.5 Ų73.573%0.72943%0.429SS*.EExtended strand (participates in β ladder)trans-132.8149176.7-67.2178.1-12.500110.7F286F286-Q300 WeakPolarHBondContact O-CA 3.4Å
301A98.2Very high97.3Very high5 Ų573.4 Ų73.44%0.04142%0.424CS..EExtended strand (participates in β ladder)trans-142.6162.2174.500000110.5D285 F286 I288 G306 I307D285-A301 CarbonylContact C-O 3.52Å; D285-A301 VanDerWaalsContact CA-O 3.3Å; D285-A301 WeakPolarHBondContact CA-O 3.22Å; F286-A301 HydrophobicContact CD2-CB 4.31Å; F286-A301 PolarHBondContact N-O 3.03Å; F286-A301 PolarHBondContact O-N 2.7Å; F286-A301 VanDerWaalsContact O-N 3.07Å; I288-A301 HydrophobicContact CD1-CB 4.19Å; I288-A301 HydrophobicContact CG2-CB 3.86Å; A301-G306 WeakPolarHBondContact CB-O 3.26Å; A301-I307 HydrophobicContact CB-CG1 3.96Å
302T98.4Very high97.3Very high61 Ų6169.8 Ų69.837%0.37441%0.409SS..EExtended strand (participates in β ladder)trans-126.5165.217565.10000110.2V284 D285 A304 S305 G306V284-T302 WeakPolarHBondContact O-CA 3.27Å; D285-T302 HydrophobicContact CB-CG2 4.25Å; T302-A304 PolarHBondContact O-N 3.12Å; T302-A304 PolarHBondContact OG1-N 3.23Å; T302-S305 PolarHBondContact N-OG 3.32Å; T302-S305 PolarHBondContact O-N 3.48Å; T302-S305 PolarHBondContact O-OG 2.82Å; T302-S305 WeakPolarHBondContact OG1-CB 3.49Å; T302-S305 PolarHBondContact OG1-N 2.87Å; T302-S305 PolarHBondContact OG1-OG 2.86Å; T302-S305 VanDerWaalsContact OG1-OG 3.11Å; T302-G306 PolarHBondContact O-N 3.19Å
303V97.4Very high97.4Very high36 Ų3664 Ų6422%0.21839%0.385CS..THydrogen-bonded Turntrans-57-37.3171.7171.30000111.2L245 N249 M251 V284 F286L245-V303 HydrophobicContact CD1-CG2 4.29Å; L245-V303 HydrophobicContact CD2-CG2 3.98Å; N249-V303 HydrophobicContact CB-CG1 4.3Å; M251-V303 HydrophobicContact SD-CB 4.26Å; M251-V303 HydrophobicContact SD-CG1 4.32Å; M251-V303 HydrophobicContact SD-CG2 4Å; V284-V303 PolarHBondContact O-N 2.79Å; F286-V303 HydrophobicContact CE2-CG2 3.95Å; F286-V303 HydrophobicContact CZ-CG2 3.86Å
304A96.5Very high97.6Very high102 Ų10260 Ų6084%0.84337%0.367SS*.THydrogen-bonded Turntrans-71.2-39.5-179.800000113.1T302T302-A304 PolarHBondContact O-N 3.12Å; T302-A304 PolarHBondContact OG1-N 3.23Å
305S97.4Very high97.7Very high81 Ų8155 Ų5557%0.56634%0.343SS*.THydrogen-bonded Turntrans-78.4-23.7178.866.70000113.1T302T302-S305 PolarHBondContact N-OG 3.32Å; T302-S305 PolarHBondContact O-N 3.48Å; T302-S305 PolarHBondContact O-OG 2.82Å; T302-S305 WeakPolarHBondContact OG1-CB 3.49Å; T302-S305 PolarHBondContact OG1-N 2.87Å; T302-S305 PolarHBondContact OG1-OG 2.86Å; T302-S305 VanDerWaalsContact OG1-OG 3.11Å
306G97.6Very high97.8Very high7 Ų748.2 Ų48.27%0.07231%0.308CS..BIsolated β-bridgetrans67.1175.1-163.400000112.3E252 A301 T302E252-G306 CarbonylContact O-C 3.48Å; E252-G306 WeakPolarHBondContact O-CA 3.37Å; A301-G306 WeakPolarHBondContact CB-O 3.26Å; T302-G306 PolarHBondContact O-N 3.19Å
307I98.2Very high97.9Very high3 Ų347.8 Ų47.82%0.01530%0.304CS..BIsolated β-bridgetrans-98.5126.7173.1-61.4163.9000108F242 M251 E252 G254 S256 I288 A301 W311 A313F242-I307 HydrophobicContact CD1-CD1 4.02Å; F242-I307 HydrophobicContact CE1-CD1 3.71Å; F242-I307 HydrophobicContact CZ-CD1 4.49Å; M251-I307 HydrophobicContact CE-CD1 4.09Å; M251-I307 HydrophobicContact CE-CG1 3.9Å; E252-I307 PolarHBondContact O-N 3.48Å; G254-I307 PolarHBondContact N-O 3.17Å; S256-I307 WeakPolarHBondContact OG-CD1 3.44Å; I288-I307 HydrophobicContact CG2-CG1 4.18Å; I288-I307 HydrophobicContact CG2-CG2 4.2Å; A301-I307 HydrophobicContact CB-CG1 3.96Å; I307-W311 HydrophobicContact CG2-CB 3.95Å; I307-W311 WeakPolarHBondContact CG2-O 3.43Å; I307-A313 HydrophobicContact CD1-CB 3.42Å; I307-A313 VanDerWaalsContact CD1-CB 3.42Å; I307-A313 HydrophobicContact CG1-CB 4.43Å
308P97.8Very high97.9Very high66 Ų6644.2 Ų44.243%0.42930%0.296SS..PPolyproline II helixtrans-59.2152.6-179.6-23.733.3000113.5G254 G310 W311G254-P308 WeakPolarHBondContact CA-O 3.42Å; P308-G310 PolarHBondContact O-N 2.83Å; P308-W311 HydrophobicContact CB-CB 4.48Å; P308-W311 HydrophobicContact CB-CG 4.25Å; P308-W311 WeakPolarHBondContact O-CB 3.4Å; P308-W311 PolarHBondContact O-N 3.05Å; P308-W311 VanDerWaalsContact O-N 3.08Å
309A97.2Very high97.9Very high96 Ų9645.3 Ų45.379%0.79330%0.296SS*.THydrogen-bonded Turntrans-56.2137.6173.500000111.3W311A309-W311 PolarHBondContact O-N 2.86Å
310G96.6Very high98Very high52 Ų5244.4 Ų44.454%0.53629%0.286SS..THydrogen-bonded Turntrans81.2-18.1-17600000114.9P308P308-G310 PolarHBondContact O-N 2.83Å
311W98.5Very high98Very high61 Ų6138.6 Ų38.623%0.23126%0.26CS..  trans-88.9150.6175.9-69.468.7000111.7A255 I288 A289 D290 K297 I307 P308 A309A255-W311 PolarHBondContact N-O 3.32Å; I288-W311 HydrophobicContact CB-CE3 4.13Å; I288-W311 HydrophobicContact CD1-CB 4.15Å; I288-W311 HydrophobicContact CD1-CD2 3.9Å; I288-W311 HydrophobicContact CD1-CE3 3.46Å; I288-W311 VanDerWaalsContact CD1-CE3 3.46Å; I288-W311 HydrophobicContact CD1-CG 4.22Å; I288-W311 HydrophobicContact CD1-CZ3 4.16Å; I288-W311 HydrophobicContact CG1-CD2 4.47Å; I288-W311 HydrophobicContact CG1-CE3 3.57Å; I288-W311 HydrophobicContact CG1-CZ3 4.04Å; A289-W311 CarbonylContact O-C 3.54Å; A289-W311 VanDerWaalsContact O-CA 3.27Å; A289-W311 WeakPolarHBondContact O-CA 3.19Å; D290-W311 HydrophobicContact CB-CD2 4.22Å; D290-W311 HydrophobicContact CB-CE3 4.31Å; D290-W311 HydrophobicContact CB-CH2 4.13Å; D290-W311 HydrophobicContact CB-CZ2 4.03Å; D290-W311 HydrophobicContact CB-CZ3 4.26Å; K297-W311 HydrophobicContact CB-CH2 4.44Å; K297-W311 HydrophobicContact CD-CH2 4.1Å; K297-W311 HydrophobicContact CG-CH2 4.12Å; K297-W311 VanDerWaalsContact O-CZ3 3.26Å; K297-W311 WeakPolarHBondContact O-CZ3 3.4Å; I307-W311 HydrophobicContact CG2-CB 3.95Å; I307-W311 WeakPolarHBondContact CG2-O 3.43Å; P308-W311 HydrophobicContact CB-CB 4.48Å; P308-W311 HydrophobicContact CB-CG 4.25Å; P308-W311 WeakPolarHBondContact O-CB 3.4Å; P308-W311 PolarHBondContact O-N 3.05Å; P308-W311 VanDerWaalsContact O-N 3.08Å; A309-W311 PolarHBondContact O-N 2.86Å
312V98.3Very high98Very high14 Ų1443.9 Ų43.99%0.08528%0.282CS..EExtended strand (participates in β ladder)trans-125.6131.9-178.258.50000109.6A255 I288 A289 L314A255-V312 HydrophobicContact CB-CB 4.46Å; I288-V312 CarbonylContact C-O 3.48Å; I288-V312 VanDerWaalsContact CA-O 3.23Å; I288-V312 WeakPolarHBondContact CA-O 3.43Å; A289-V312 HydrophobicContact CB-CG1 4.07Å; A289-V312 PolarHBondContact N-O 2.7Å; A289-V312 PolarHBondContact O-N 3.37Å; V312-L314 HydrophobicContact CB-CD2 4.4Å; V312-L314 HydrophobicContact CG1-CD1 4.22Å; V312-L314 HydrophobicContact CG1-CD2 3.98Å; V312-L314 HydrophobicContact CG1-CG 4.06Å; V312-L314 HydrophobicContact CG2-CD2 3.59Å; V312-L314 HydrophobicContact CG2-CG 4.33Å
313A98.3Very high98Very high8 Ų844.5 Ų44.57%0.06628%0.28CS..EExtended strand (participates in β ladder)trans-83.3129.2171.200000111.1F242 S256 F286 I288 I307F242-A313 HydrophobicContact CE1-CB 3.59Å; F242-A313 HydrophobicContact CE2-CB 3.81Å; F242-A313 HydrophobicContact CZ-CB 3.14Å; S256-A313 PolarHBondContact OG-N 3.37Å; F286-A313 HydrophobicContact CB-CB 3.99Å; F286-A313 HydrophobicContact CD1-CB 4.46Å; F286-A313 HydrophobicContact CG-CB 4.33Å; I288-A313 HydrophobicContact CG2-CB 3.92Å; I307-A313 HydrophobicContact CD1-CB 3.42Å; I307-A313 VanDerWaalsContact CD1-CB 3.42Å; I307-A313 HydrophobicContact CG1-CB 4.43Å
314L98.2Very high98.1Very high11 Ų1143 Ų436%0.05827%0.27CS..EExtended strand (participates in β ladder)trans-124.1-9-172.3-59.6-176.5000113.3V287 A289 F292 V312 G341 V342 W345 F348V287-L314 PolarHBondContact O-N 2.71Å; A289-L314 HydrophobicContact CB-CD1 3.63Å; A289-L314 HydrophobicContact CB-CG 4.31Å; F292-L314 HydrophobicContact CD2-CD1 4.45Å; F292-L314 HydrophobicContact CD2-CD2 3.44Å; F292-L314 VanDerWaalsContact CD2-CD2 3.44Å; F292-L314 HydrophobicContact CE2-CD2 3.59Å; V312-L314 HydrophobicContact CB-CD2 4.4Å; V312-L314 HydrophobicContact CG1-CD1 4.22Å; V312-L314 HydrophobicContact CG1-CD2 3.98Å; V312-L314 HydrophobicContact CG1-CG 4.06Å; V312-L314 HydrophobicContact CG2-CD2 3.59Å; V312-L314 HydrophobicContact CG2-CG 4.33Å; L314-G341 CarbonylContact O-C 3.51Å; L314-G341 WeakPolarHBondContact O-CA 3.49Å; L314-V342 HydrophobicContact CB-CG2 4.08Å; L314-V342 HydrophobicContact CD2-CG2 4.02Å; L314-V342 HydrophobicContact CG-CG2 4.49Å; L314-V342 PolarHBondContact O-N 2.98Å; L314-W345 HydrophobicContact CD1-CE3 4.41Å; L314-W345 HydrophobicContact CD1-CZ3 4.09Å; L314-F348 HydrophobicContact CB-CB 4Å; L314-F348 HydrophobicContact CB-CD1 3.49Å; L314-F348 VanDerWaalsContact CB-CD1 3.49Å; L314-F348 HydrophobicContact CB-CD2 4.32Å; L314-F348 HydrophobicContact CB-CE1 4Å; L314-F348 HydrophobicContact CB-CG 3.66Å; L314-F348 HydrophobicContact CD1-CD1 4.15Å; L314-F348 HydrophobicContact CD1-CD2 3.99Å; L314-F348 HydrophobicContact CD1-CE1 3.95Å; L314-F348 HydrophobicContact CD1-CE2 3.79Å; L314-F348 HydrophobicContact CD1-CG 4.15Å; L314-F348 HydrophobicContact CD1-CZ 3.78Å; L314-F348 HydrophobicContact CG-CD1 4.36Å; L314-F348 HydrophobicContact CG-CE1 4.42Å
315D98.3Very high98.2Very high4 Ų439.1 Ų39.12%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-157166.5173.1-161.412.3000110.8F286 V287 F348 N350 G351F286-D315 WeakPolarHBondContact CA-O 3.5Å; V287-D315 HydrophobicContact CB-CB 4.1Å; V287-D315 HydrophobicContact CG2-CB 4.33Å; V287-D315 PolarHBondContact N-O 2.98Å; V287-D315 PolarHBondContact O-N 3.47Å; D315-F348 HydrophobicContact CB-CB 4.07Å; D315-F348 WeakPolarHBondContact CB-O 3.4Å; D315-F348 VanDerWaalsContact CG-O 3.23Å; D315-F348 VanDerWaalsContact OD2-C 3.25Å; D315-N350 PolarHBondContact OD2-N 3.31Å; D315-G351 WeakPolarHBondContact OD1-CA 3.3Å; D315-G351 PolarHBondContact OD1-N 3.48Å; D315-G351 PolarHBondContact OD2-N 3.27Å
316C98.3Very high98.2Very high6 Ų641.2 Ų41.24%0.04124%0.239CC..EExtended strand (participates in β ladder)trans-86.1148.1172.660.80000112.7P283 T320 N321 G351P283-C316 HydrophobicContact CB-CB 4.29Å; C316-T320 HydrophobicContact CB-CG2 3.59Å; C316-N321 PolarHBondContact SG-OD1 2.99Å; C316-G351 VanDerWaalsContact SG-CA 3.57Å
317G98.4Very high98.3Very high1 Ų141.1 Ų41.11%0.0124%0.237CC..  trans-82.8176.1-177.600000114.2D285 E319 T320 N321D285-G317 VanDerWaalsContact CG-C 3.5Å; D285-G317 PolarHBondContact O-N 3.34Å; D285-G317 VanDerWaalsContact OD1-C 3.25Å; D285-G317 WeakPolarHBondContact OD1-CA 3.43Å; D285-G317 PolarHBondContact OD1-N 2.57Å; D285-G317 WeakPolarHBondContact OD2-CA 3.49Å; G317-E319 VanDerWaalsContact C-N 3.34Å; G317-E319 PolarHBondContact O-N 2.8Å; G317-T320 WeakPolarHBondContact O-CB 3.22Å; G317-T320 PolarHBondContact O-N 3.27Å; G317-N321 VanDerWaalsContact O-CG 3.25Å; G317-N321 PolarHBondContact O-N 3.26Å; G317-N321 PolarHBondContact O-ND2 3.36Å; G317-N321 PolarHBondContact O-OD1 3.24Å
318P98.2Very high98.3Very high65 Ų6541 Ų4142%0.42224%0.237SC..Hα-helixtrans-61.7-33.3-175.824.6-35.2000114.6D285 N321 K322D285-P318 WeakPolarHBondContact OD2-CD 3.26Å; D285-P318 VanDerWaalsContact OD2-N 3.11Å; P318-N321 PolarHBondContact O-N 3.48Å; P318-K322 WeakPolarHBondContact O-CG 3.44Å; P318-K322 PolarHBondContact O-N 2.92Å; P318-K322 VanDerWaalsContact O-N 3.09Å
319E98.6Very high98.3Very high97 Ų9741.1 Ų41.145%0.45324%0.243SC..Hα-helixtrans-72.1-36178.6-64-51.9127.500111.5V284 D285 G317 K322 K323V284-E319 HydrophobicContact CG2-CB 4.08Å; D285-E319 PolarHBondContact OD1-N 2.65Å; D285-E319 WeakPolarHBondContact OD2-CB 3.45Å; D285-E319 PolarHBondContact OD2-N 2.73Å; G317-E319 VanDerWaalsContact C-N 3.34Å; G317-E319 PolarHBondContact O-N 2.8Å; E319-K322 PolarHBondContact O-N 2.86Å; E319-K322 IonicContact OE1-NZ 3.46Å; E319-K322 PolarHBondContact OE1-NZ 2.81Å; E319-K322 IonicContact OE2-NZ 3.19Å; E319-K323 WeakPolarHBondContact O-CB 3.49Å; E319-K323 PolarHBondContact O-N 3.33Å
320T98.8Very high98.4Very high0 Ų041.7 Ų41.70%023%0.225CC..Hα-helixtrans-61.5-44.8169.8-60.10000111P283 V284 D285 C316 G317 K322 K323 Y324P283-T320 WeakPolarHBondContact CA-OG1 3.46Å; P283-T320 HydrophobicContact CB-CG2 3.74Å; V284-T320 PolarHBondContact N-OG1 3.48Å; D285-T320 PolarHBondContact N-OG1 3.28Å; D285-T320 PolarHBondContact O-OG1 3.42Å; D285-T320 WeakPolarHBondContact OD1-CB 3.39Å; D285-T320 PolarHBondContact OD1-N 2.81Å; D285-T320 PolarHBondContact OD1-OG1 2.85Å; C316-T320 HydrophobicContact CB-CG2 3.59Å; G317-T320 WeakPolarHBondContact O-CB 3.22Å; G317-T320 PolarHBondContact O-N 3.27Å; T320-K322 VanDerWaalsContact C-N 3.32Å; T320-K322 PolarHBondContact O-N 3.48Å; T320-K323 WeakPolarHBondContact O-CB 3.49Å; T320-K323 PolarHBondContact O-N 3.03Å; T320-K323 VanDerWaalsContact O-N 3.09Å; T320-Y324 HydrophobicContact CG2-CD1 4.12Å; T320-Y324 HydrophobicContact CG2-CD2 3.77Å; T320-Y324 HydrophobicContact CG2-CE1 3.74Å; T320-Y324 HydrophobicContact CG2-CE2 3.36Å; T320-Y324 HydrophobicContact CG2-CG 4.14Å; T320-Y324 PolarHBondContact O-N 3.09Å
321N98.6Very high98.5Very high35 Ų3539.7 Ų39.719%0.18720%0.203CC..Hα-helixtrans-59.7-43.2179.3-65-17000111.5C316 G317 P318 K323 Y324 A325 G351 A354C316-N321 PolarHBondContact SG-OD1 2.99Å; G317-N321 VanDerWaalsContact O-CG 3.25Å; G317-N321 PolarHBondContact O-N 3.26Å; G317-N321 PolarHBondContact O-ND2 3.36Å; G317-N321 PolarHBondContact O-OD1 3.24Å; P318-N321 PolarHBondContact O-N 3.48Å; N321-K323 PolarHBondContact O-N 3.08Å; N321-Y324 PolarHBondContact O-N 3.43Å; N321-A325 WeakPolarHBondContact O-CB 3.29Å; N321-A325 PolarHBondContact O-N 2.85Å; N321-G351 WeakPolarHBondContact OD1-CA 3.2Å; N321-A354 HydrophobicContact CB-CB 4.29Å
322K98.7Very high98.5Very high115 Ų11541.8 Ų41.850%0.521%0.214SC..Hα-helixtrans-60.6-44.2173.5-69.1170.7-173.9168.40111.8P318 E319 T320 A325 Q326P318-K322 WeakPolarHBondContact O-CG 3.44Å; P318-K322 PolarHBondContact O-N 2.92Å; P318-K322 VanDerWaalsContact O-N 3.09Å; E319-K322 PolarHBondContact O-N 2.86Å; E319-K322 IonicContact OE1-NZ 3.46Å; E319-K322 PolarHBondContact OE1-NZ 2.81Å; E319-K322 IonicContact OE2-NZ 3.19Å; T320-K322 VanDerWaalsContact C-N 3.32Å; T320-K322 PolarHBondContact O-N 3.48Å; K322-A325 WeakPolarHBondContact O-CB 3.11Å; K322-A325 PolarHBondContact O-N 3.14Å; K322-Q326 WeakPolarHBondContact O-CG 3.46Å; K322-Q326 PolarHBondContact O-N 3.42Å
323K98.5Very high98.5Very high75 Ų7541.1 Ų41.133%0.32621%0.21SC..Hα-helixtrans-63.6-45.4179.1-167.3-177.5-172.8-167.30111.6T281 V284 E319 T320 N321 Q326 V327T281-K323 HydrophobicContact CG2-CD 3.72Å; T281-K323 HydrophobicContact CG2-CG 3.96Å; V284-K323 HydrophobicContact CG1-CD 4.26Å; E319-K323 WeakPolarHBondContact O-CB 3.49Å; E319-K323 PolarHBondContact O-N 3.33Å; T320-K323 WeakPolarHBondContact O-CB 3.49Å; T320-K323 PolarHBondContact O-N 3.03Å; T320-K323 VanDerWaalsContact O-N 3.09Å; N321-K323 PolarHBondContact O-N 3.08Å; K323-Q326 WeakPolarHBondContact O-CB 3.35Å; K323-Q326 PolarHBondContact O-N 3.43Å; K323-V327 WeakPolarHBondContact O-CG2 3.48Å; K323-V327 PolarHBondContact O-N 3.3Å
324Y98.7Very high98.5Very high3 Ų340.8 Ų40.81%0.01221%0.207CC..Hα-helixtrans-63.9-40.3176.6-69.8-8.5000112I235 T281 P283 T320 N321 Q326 V327 V328 L340I235-Y324 HydrophobicContact CB-CE1 4.47Å; I235-Y324 HydrophobicContact CD1-CD1 3.81Å; I235-Y324 HydrophobicContact CD1-CE1 4.4Å; I235-Y324 HydrophobicContact CD1-CG 3.97Å; I235-Y324 HydrophobicContact CG1-CD1 4.03Å; I235-Y324 HydrophobicContact CG1-CE1 4.18Å; I235-Y324 HydrophobicContact CG2-CD1 4.01Å; I235-Y324 HydrophobicContact CG2-CD2 4.33Å; I235-Y324 HydrophobicContact CG2-CE1 3.54Å; I235-Y324 HydrophobicContact CG2-CE2 3.89Å; I235-Y324 HydrophobicContact CG2-CG 4.39Å; I235-Y324 VanDerWaalsContact CG2-CZ 3.47Å; T281-Y324 HydrophobicContact CG2-CD1 3.96Å; T281-Y324 HydrophobicContact CG2-CE1 3.84Å; P283-Y324 VanDerWaalsContact CD-OH 3.24Å; P283-Y324 WeakPolarHBondContact CD-OH 3.48Å; T320-Y324 HydrophobicContact CG2-CD1 4.12Å; T320-Y324 HydrophobicContact CG2-CD2 3.77Å; T320-Y324 HydrophobicContact CG2-CE1 3.74Å; T320-Y324 HydrophobicContact CG2-CE2 3.36Å; T320-Y324 HydrophobicContact CG2-CG 4.14Å; T320-Y324 PolarHBondContact O-N 3.09Å; N321-Y324 PolarHBondContact O-N 3.43Å; Y324-Q326 VanDerWaalsContact C-N 3.28Å; Y324-Q326 PolarHBondContact O-N 3.19Å; Y324-V327 PolarHBondContact O-N 2.97Å; Y324-V327 VanDerWaalsContact O-N 3.12Å; Y324-V328 WeakPolarHBondContact O-CG2 3.24Å; Y324-V328 PolarHBondContact O-N 2.79Å; Y324-L340 HydrophobicContact CD2-CD1 3.76Å; Y324-L340 HydrophobicContact CE2-CD1 3.63Å; Y324-L340 HydrophobicContact CE2-CD2 4.27Å
325A98.7Very high98.5Very high22 Ų2240.4 Ų40.418%0.18221%0.205CC..Hα-helixtrans-55.8-42.3174.700000112.2N321 K322 V327 V328 A329 E358N321-A325 WeakPolarHBondContact O-CB 3.29Å; N321-A325 PolarHBondContact O-N 2.85Å; K322-A325 WeakPolarHBondContact O-CB 3.11Å; K322-A325 PolarHBondContact O-N 3.14Å; A325-V327 PolarHBondContact O-N 3.07Å; A325-V328 PolarHBondContact O-N 3.17Å; A325-A329 VanDerWaalsContact O-CB 3.31Å; A325-A329 WeakPolarHBondContact O-CB 3.44Å; A325-A329 PolarHBondContact O-N 3.21Å; A325-E358 HydrophobicContact CB-CG 3.69Å
326Q98.5Very high98.4Very high125 Ų12540.2 Ų40.258%0.58420%0.204SC*.Hα-helixtrans-64-40.2177.1-67.7172.2-5.600112.6K322 K323 Y324 R330K322-Q326 WeakPolarHBondContact O-CG 3.46Å; K322-Q326 PolarHBondContact O-N 3.42Å; K323-Q326 WeakPolarHBondContact O-CB 3.35Å; K323-Q326 PolarHBondContact O-N 3.43Å; Y324-Q326 VanDerWaalsContact C-N 3.28Å; Y324-Q326 PolarHBondContact O-N 3.19Å; Q326-R330 PolarHBondContact O-NH1 3.19Å
327V98.5Very high98.3Very high5 Ų540.3 Ų40.33%0.0320%0.204CC..Hα-helixtrans-67.5-46.9178-1800000110.3L209 E233 I235 T281 K323 Y324 A325 A329 R330L209-V327 HydrophobicContact CD1-CG1 3.74Å; L209-V327 HydrophobicContact CD2-CG1 3.98Å; L209-V327 HydrophobicContact CG-CG1 4.47Å; E233-V327 HydrophobicContact CB-CG1 4.1Å; E233-V327 HydrophobicContact CG-CG1 4.41Å; I235-V327 HydrophobicContact CD1-CB 4.17Å; I235-V327 HydrophobicContact CD1-CG1 4.09Å; I235-V327 HydrophobicContact CG1-CG1 4.27Å; T281-V327 HydrophobicContact CG2-CG2 4.32Å; K323-V327 WeakPolarHBondContact O-CG2 3.48Å; K323-V327 PolarHBondContact O-N 3.3Å; Y324-V327 PolarHBondContact O-N 2.97Å; Y324-V327 VanDerWaalsContact O-N 3.12Å; A325-V327 PolarHBondContact O-N 3.07Å; V327-A329 VanDerWaalsContact C-N 3.32Å; V327-A329 PolarHBondContact O-N 2.83Å; V327-R330 PolarHBondContact O-N 2.87Å
328V98.8Very high98.1Very high1 Ų140.5 Ų40.51%0.00621%0.206CC..Hα-helixtrans-58.9-42.3177.1167.20000111.6L209 I211 Y324 A325 R330 A331 I334 L355 E358 I359 A362L209-V328 HydrophobicContact CD2-CG2 3.96Å; I211-V328 HydrophobicContact CD1-CG2 4.26Å; Y324-V328 WeakPolarHBondContact O-CG2 3.24Å; Y324-V328 PolarHBondContact O-N 2.79Å; A325-V328 PolarHBondContact O-N 3.17Å; V328-R330 PolarHBondContact O-N 3.19Å; V328-R330 VanDerWaalsContact O-N 3.15Å; V328-A331 PolarHBondContact O-N 2.91Å; V328-A331 VanDerWaalsContact O-N 3.12Å; V328-I334 HydrophobicContact CG1-CD1 3.86Å; V328-L355 HydrophobicContact CG2-CD1 3.73Å; V328-E358 HydrophobicContact CB-CB 4.48Å; V328-E358 HydrophobicContact CG1-CB 4.04Å; V328-E358 WeakPolarHBondContact CG1-O 3.39Å; V328-I359 HydrophobicContact CG1-CG1 4.13Å; V328-I359 HydrophobicContact CG2-CG1 4.27Å; V328-A362 HydrophobicContact CG1-CB 3.89Å
329A98.4Very high98Very high68 Ų6838.1 Ų38.156%0.56219%0.19SC*.Hα-helixtrans-63-21.1-179.100000114.4A325 V327A325-A329 VanDerWaalsContact O-CB 3.31Å; A325-A329 WeakPolarHBondContact O-CB 3.44Å; A325-A329 PolarHBondContact O-N 3.21Å; V327-A329 VanDerWaalsContact C-N 3.32Å; V327-A329 PolarHBondContact O-N 2.83Å
330R97.9Very high98Very high108 Ų10833.8 Ų33.841%0.40817%0.17SC..Hα-helixtrans-87.8-20.5177-65.3-170-59.7-8710.1113.5P207 E233 Q326 V327 V328P207-R330 WeakPolarHBondContact CD-O 3.31Å; E233-R330 IonicContact OE1-CZ 2.77Å; E233-R330 IonicContact OE1-NE 2.62Å; E233-R330 PolarHBondContact OE1-NE 3.28Å; E233-R330 IonicContact OE1-NH2 3.54Å; E233-R330 PolarHBondContact OE1-NH2 3.17Å; E233-R330 IonicContact OE2-NH2 3.62Å; Q326-R330 PolarHBondContact O-NH1 3.19Å; V327-R330 PolarHBondContact O-N 2.87Å; V328-R330 PolarHBondContact O-N 3.19Å; V328-R330 VanDerWaalsContact O-N 3.15Å
331A98.6Very high97.9Very high9 Ų934.4 Ų34.47%0.07418%0.177CC..  trans-71.3145.3-171.800000112.2P207 L209 V328 I334 C367P207-A331 WeakPolarHBondContact O-CA 3.13Å; L209-A331 HydrophobicContact CB-CB 3.82Å; L209-A331 HydrophobicContact CD2-CB 4.27Å; V328-A331 PolarHBondContact O-N 2.91Å; V328-A331 VanDerWaalsContact O-N 3.12Å; A331-I334 HydrophobicContact CB-CD1 3.95Å; A331-I334 HydrophobicContact CB-CG1 3.54Å; A331-C367 PolarHBondContact O-SG 3.12Å; A331-C367 VanDerWaalsContact O-SG 3.41Å
332K98.5Very high97.8Very high105 Ų10533.9 Ų33.946%0.45718%0.175SC..SBendtrans-103.8-25.8167.7-63.9-58.6-174.4178.10112.4E205 R206 P207 C367 I368E205-K332 HydrophobicContact CB-CB 3.87Å; R206-K332 WeakPolarHBondContact O-CG 3.45Å; P207-K332 PolarHBondContact O-N 3.01Å; K332-C367 WeakPolarHBondContact O-CA 3.49Å; K332-C367 PolarHBondContact O-SG 2.88Å; K332-C367 VanDerWaalsContact O-SG 3.39Å; K332-I368 PolarHBondContact O-N 2.79Å
333L98.6Very high97.7Very high1 Ų128.9 Ų28.91%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-133.8134.9170.1-165.9151.5000109.2K199 A200 P204 E205 P207 F208 L209 V335 I368K199-L333 HydrophobicContact CB-CD1 4.24Å; A200-L333 HydrophobicContact CB-CD2 4.05Å; P204-L333 HydrophobicContact CB-CD1 4.31Å; E205-L333 HydrophobicContact CB-CB 4.37Å; E205-L333 WeakPolarHBondContact O-CB 3.26Å; P207-L333 PolarHBondContact O-N 2.57Å; F208-L333 HydrophobicContact CD2-CB 4.14Å; F208-L333 HydrophobicContact CD2-CD2 3.3Å; F208-L333 HydrophobicContact CD2-CG 4.3Å; F208-L333 WeakPolarHBondContact CD2-O 3.27Å; F208-L333 HydrophobicContact CE1-CD2 4.43Å; F208-L333 HydrophobicContact CE2-CD2 3.12Å; F208-L333 HydrophobicContact CE2-CG 4.48Å; F208-L333 HydrophobicContact CG-CD2 4.11Å; F208-L333 HydrophobicContact CZ-CD2 3.73Å; L209-L333 PolarHBondContact N-O 3.31Å; L333-V335 HydrophobicContact CD2-CG2 3.99Å; L333-I368 CarbonylContact C-O 3.59Å; L333-I368 VanDerWaalsContact CA-O 3.29Å; L333-I368 WeakPolarHBondContact CA-O 3.41Å; L333-I368 HydrophobicContact CD1-CB 4.45Å; L333-I368 HydrophobicContact CD1-CG2 4.41Å; L333-I368 HydrophobicContact CG-CB 4.22Å; L333-I368 HydrophobicContact CG-CG2 4.39Å
334I98.7Very high97.5Very high1 Ų130.1 Ų30.11%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-125.7127.7176-57.1174.1000108.9L209 I211 V328 A331 I359 A362 I368 T369 I370L209-I334 HydrophobicContact CB-CG1 4.23Å; L209-I334 HydrophobicContact CD2-CD1 4.32Å; L209-I334 HydrophobicContact CD2-CG1 4.15Å; L209-I334 HydrophobicContact CD2-CG2 4.38Å; L209-I334 HydrophobicContact CG-CG2 4.49Å; L209-I334 VanDerWaalsContact O-CA 3.32Å; L209-I334 WeakPolarHBondContact O-CA 3.4Å; I211-I334 HydrophobicContact CD1-CG2 3.68Å; I211-I334 HydrophobicContact CG1-CG2 4.12Å; V328-I334 HydrophobicContact CG1-CD1 3.86Å; A331-I334 HydrophobicContact CB-CD1 3.95Å; A331-I334 HydrophobicContact CB-CG1 3.54Å; I334-I359 HydrophobicContact CD1-CG1 4.24Å; I334-I359 HydrophobicContact CG2-CD1 4.47Å; I334-A362 HydrophobicContact CD1-CB 4.35Å; I334-I368 PolarHBondContact N-O 2.78Å; I334-T369 HydrophobicContact CB-CG2 4.21Å; I334-T369 HydrophobicContact CD1-CG2 4.21Å; I334-T369 HydrophobicContact CG1-CG2 4.49Å; I334-I370 PolarHBondContact O-N 2.91Å
335V97.9Very high97.5Very high3 Ų332.1 Ų32.12%0.01817%0.168CC..EExtended strand (participates in β ladder)trans-109.2122162.1171.80000108A200 F208 L209 A210 I211 L333 I370 L403A200-V335 HydrophobicContact CB-CG2 3.83Å; F208-V335 HydrophobicContact CE2-CB 4.07Å; F208-V335 HydrophobicContact CE2-CG2 3.69Å; F208-V335 HydrophobicContact CZ-CB 4.38Å; F208-V335 HydrophobicContact CZ-CG2 3.78Å; L209-V335 PolarHBondContact O-N 3.34Å; A210-V335 CarbonylContact C-O 3.49Å; A210-V335 WeakPolarHBondContact CA-O 3.46Å; I211-V335 PolarHBondContact N-O 3.11Å; L333-V335 HydrophobicContact CD2-CG2 3.99Å; V335-I370 WeakPolarHBondContact CA-O 3.37Å; V335-I370 HydrophobicContact CG2-CB 4.21Å; V335-I370 HydrophobicContact CG2-CD1 4.3Å; V335-L403 HydrophobicContact CG1-CD1 3.58Å; V335-L403 HydrophobicContact CG1-CD2 3.82Å; V335-L403 HydrophobicContact CG1-CG 4.37Å; V335-L403 HydrophobicContact CG2-CD2 4.34Å
336W97.6Very high97.4Very high0 Ų037 Ų370%019%0.191CC..EExtended strand (participates in β ladder)trans-117.2123.8178-178.218.3000111.5I211 G338 T352 L355 M356 I359 I370 I371 G372 T376I211-W336 HydrophobicContact CB-CB 4.15Å; I211-W336 HydrophobicContact CB-CG 4.03Å; I211-W336 HydrophobicContact CD1-CB 4.44Å; I211-W336 HydrophobicContact CD1-CG 4.47Å; I211-W336 VanDerWaalsContact CG2-CD1 3.47Å; I211-W336 HydrophobicContact CG2-CG 4.17Å; I211-W336 WeakPolarHBondContact O-CA 3.39Å; W336-G338 PolarHBondContact NE1-O 3.44Å; W336-T352 HydrophobicContact CH2-CG2 3.98Å; W336-T352 HydrophobicContact CZ2-CG2 3.84Å; W336-L355 HydrophobicContact CD2-CD2 4.2Å; W336-L355 HydrophobicContact CH2-CB 4.46Å; W336-L355 HydrophobicContact CH2-CD2 4.12Å; W336-L355 HydrophobicContact CH2-CG 4.38Å; W336-L355 HydrophobicContact CZ2-CD2 3.67Å; W336-L355 HydrophobicContact CZ2-CG 4.4Å; W336-M356 HydrophobicContact CE3-CE 4.19Å; W336-M356 HydrophobicContact CE3-SD 4.43Å; W336-M356 HydrophobicContact CH2-CB 4.06Å; W336-M356 HydrophobicContact CH2-CE 3.68Å; W336-M356 HydrophobicContact CH2-SD 4.43Å; W336-M356 HydrophobicContact CZ3-CB 3.93Å; W336-M356 HydrophobicContact CZ3-CE 3.26Å; W336-M356 HydrophobicContact CZ3-CG 4.38Å; W336-M356 HydrophobicContact CZ3-SD 3.61Å; W336-I359 HydrophobicContact CB-CD1 4.43Å; W336-I359 HydrophobicContact CD2-CD1 3.86Å; W336-I359 HydrophobicContact CE3-CD1 3.25Å; W336-I359 HydrophobicContact CG-CD1 4.36Å; W336-I359 HydrophobicContact CZ3-CD1 3.7Å; W336-I370 PolarHBondContact N-O 3.24Å; W336-I371 HydrophobicContact CB-CD1 4.08Å; W336-I371 HydrophobicContact CD2-CD1 4.39Å; W336-I371 HydrophobicContact CE3-CD1 3.67Å; W336-G372 PolarHBondContact O-N 3.27Å; W336-T376 HydrophobicContact CD2-CG2 3.51Å; W336-T376 HydrophobicContact CE3-CG2 3.77Å; W336-T376 HydrophobicContact CG-CG2 3.94Å; W336-T376 HydrophobicContact CH2-CG2 4.35Å; W336-T376 HydrophobicContact CZ2-CG2 4.09Å; W336-T376 HydrophobicContact CZ3-CG2 4.2Å
337N95.5Very high97.3Very high7 Ų732.9 Ų32.94%0.03718%0.178CC..EExtended strand (participates in β ladder)trans-137.6108.6178.3-174.1-82.8000112.5I211 L212 G213 K220 G372 G373I211-N337 PolarHBondContact O-N 2.88Å; L212-N337 WeakPolarHBondContact CA-O 3.32Å; L212-N337 HydrophobicContact CD2-CB 4.41Å; G213-N337 PolarHBondContact N-O 2.75Å; K220-N337 PolarHBondContact NZ-O 3.06Å; K220-N337 PolarHBondContact NZ-OD1 3.22Å; N337-G372 WeakPolarHBondContact CA-O 3.45Å; N337-G372 VanDerWaalsContact ND2-C 3.26Å; N337-G372 PolarHBondContact ND2-O 2.92Å; N337-G373 WeakPolarHBondContact ND2-CA 3.27Å; N337-G373 PolarHBondContact ND2-N 3.42Å
338G94.3Very high97.3Very high6 Ų632.7 Ų32.76%0.06218%0.177CC..SBendtrans101.8135.1177.600000113.5G213 W336 T376G213-G338 WeakPolarHBondContact CA-O 3.44Å; G213-G338 PolarHBondContact N-O 3.43Å; W336-G338 PolarHBondContact NE1-O 3.44Å; G338-T376 VanDerWaalsContact CA-OG1 3.28Å; G338-T376 WeakPolarHBondContact CA-OG1 3.3Å; G338-T376 PolarHBondContact N-OG1 2.91Å
339P96.1Very high97.2Very high14 Ų1432.9 Ų32.99%0.09118%0.179CC..  trans-67.6161.3175.130.4-35.8000111.9G213 G214 F343 T352 D375G213-P339 VanDerWaalsContact CA-O 3.28Å; G213-P339 WeakPolarHBondContact CA-O 3.3Å; G214-P339 PolarHBondContact N-O 3.05Å; P339-F343 HydrophobicContact CB-CD1 3.88Å; P339-F343 HydrophobicContact CG-CD1 3.84Å; P339-F343 HydrophobicContact CG-CE1 4.14Å; P339-T352 HydrophobicContact CB-CG2 3.8Å; P339-D375 HydrophobicContact CG-CB 4.19Å
340L97.4Very high97.2Very high6 Ų634.6 Ų34.63%0.03118%0.178CC..SBendtrans-91.2-15.1-179-57.4179.1000113.2I211 G238 Y324 T352 L355I211-L340 HydrophobicContact CG2-CD2 4.46Å; G238-L340 VanDerWaalsContact CA-O 3.3Å; G238-L340 WeakPolarHBondContact CA-O 3.38Å; G238-L340 PolarHBondContact N-O 2.97Å; Y324-L340 HydrophobicContact CD2-CD1 3.76Å; Y324-L340 HydrophobicContact CE2-CD1 3.63Å; Y324-L340 HydrophobicContact CE2-CD2 4.27Å; L340-T352 PolarHBondContact N-OG1 2.86Å; L340-L355 HydrophobicContact CD1-CB 3.84Å; L340-L355 HydrophobicContact CD1-CD2 3.5Å; L340-L355 HydrophobicContact CD1-CG 4.2Å; L340-L355 HydrophobicContact CD2-CD2 4.27Å; L340-L355 HydrophobicContact CG-CD2 3.98Å
341G96.9Very high97.2Very high14 Ų1429.4 Ų29.414%0.14416%0.159CC..SBendtrans-152.1-177.6-179.700000112.3L314 F343 T352L314-G341 CarbonylContact O-C 3.51Å; L314-G341 WeakPolarHBondContact O-CA 3.49Å; G341-F343 PolarHBondContact O-N 2.78Å; G341-T352 PolarHBondContact N-OG1 3.49Å
342V97Very high97.2Very high23 Ų2329 Ų2914%0.13916%0.155CC..  trans-76.775176.1-171.80000109.1F292 L314 E344 W345 F348F292-V342 HydrophobicContact CE2-CG2 3.89Å; F292-V342 HydrophobicContact CZ-CG2 4.08Å; L314-V342 HydrophobicContact CB-CG2 4.08Å; L314-V342 HydrophobicContact CD2-CG2 4.02Å; L314-V342 HydrophobicContact CG-CG2 4.49Å; L314-V342 PolarHBondContact O-N 2.98Å; V342-E344 PolarHBondContact O-N 3.21Å; V342-W345 HydrophobicContact CB-CE3 4.1Å; V342-W345 HydrophobicContact CG1-CD2 3.65Å; V342-W345 HydrophobicContact CG1-CE3 3.54Å; V342-W345 HydrophobicContact CG1-CG 4.17Å; V342-W345 HydrophobicContact CG1-CH2 4.42Å; V342-W345 HydrophobicContact CG1-CZ3 3.96Å; V342-W345 PolarHBondContact O-N 2.98Å; V342-F348 CarbonylContact C-O 3.53Å; V342-F348 HydrophobicContact CB-CB 4.17Å; V342-F348 PolarHBondContact N-O 3.26Å
343F96.2Very high97.2Very high11 Ų1126.7 Ų26.75%0.04815%0.145CC..THydrogen-bonded Turntrans-63.3-15.6-170.574.4-85.5000114.3P339 G341 W345 A349 T352 D375 T378 C379 K382 W383P339-F343 HydrophobicContact CB-CD1 3.88Å; P339-F343 HydrophobicContact CG-CD1 3.84Å; P339-F343 HydrophobicContact CG-CE1 4.14Å; G341-F343 PolarHBondContact O-N 2.78Å; F343-W345 PolarHBondContact O-N 3.46Å; F343-A349 HydrophobicContact CB-CB 4.49Å; F343-T352 HydrophobicContact CB-CG2 4.47Å; F343-D375 HydrophobicContact CE1-CB 4.33Å; F343-T378 HydrophobicContact CE2-CG2 4Å; F343-T378 HydrophobicContact CZ-CG2 4.11Å; F343-C379 WeakPolarHBondContact CD2-SG 3.44Å; F343-C379 WeakPolarHBondContact CG-SG 3.28Å; F343-K382 HydrophobicContact CD2-CD 4.25Å; F343-K382 PolarHBondContact O-NZ 3.2Å; F343-W383 HydrophobicContact CB-CH2 4.03Å; F343-W383 HydrophobicContact CB-CZ2 4.44Å
344E95.9Very high97.2Very high101 Ų10128.3 Ų28.347%0.47216%0.159SC..THydrogen-bonded Turntrans-62-31.5173.6-64.387.3165.700111.5V342V342-E344 PolarHBondContact O-N 3.21Å
345W97.5Very high97.2Very high44 Ų4428.5 Ų28.517%0.16716%0.16CC..SBendtrans-107126.1-176.1-57.5-23.9000110.7F292 E293 E294 L314 V342 F343 A347 F348 A349F292-W345 AromaticContact CD1-CH2 3.6Å; F292-W345 HydrophobicContact CD1-CH2 3.6Å; F292-W345 HydrophobicContact CD1-CZ3 4.21Å; F292-W345 AromaticContact CE1-CH2 3.52Å; F292-W345 HydrophobicContact CE1-CH2 3.52Å; F292-W345 HydrophobicContact CE1-CZ2 4.31Å; F292-W345 HydrophobicContact CE1-CZ3 4.16Å; F292-W345 HydrophobicContact CG-CH2 4.19Å; F292-W345 HydrophobicContact CG-CZ3 4.38Å; F292-W345 HydrophobicContact CZ-CH2 4.07Å; F292-W345 HydrophobicContact CZ-CZ3 4.31Å; E293-W345 VanDerWaalsContact C-CZ3 3.49Å; E294-W345 HydrophobicContact CB-CD2 3.96Å; E294-W345 HydrophobicContact CB-CG 3.85Å; E294-W345 HydrophobicContact CG-CB 4.2Å; E294-W345 VanDerWaalsContact CG-CD1 3.5Å; E294-W345 HydrophobicContact CG-CD2 4.45Å; E294-W345 HydrophobicContact CG-CG 3.81Å; L314-W345 HydrophobicContact CD1-CE3 4.41Å; L314-W345 HydrophobicContact CD1-CZ3 4.09Å; V342-W345 HydrophobicContact CB-CE3 4.1Å; V342-W345 HydrophobicContact CG1-CD2 3.65Å; V342-W345 HydrophobicContact CG1-CE3 3.54Å; V342-W345 HydrophobicContact CG1-CG 4.17Å; V342-W345 HydrophobicContact CG1-CH2 4.42Å; V342-W345 HydrophobicContact CG1-CZ3 3.96Å; V342-W345 PolarHBondContact O-N 2.98Å; F343-W345 PolarHBondContact O-N 3.46Å; W345-A347 PolarHBondContact O-N 3.01Å; W345-A347 VanDerWaalsContact O-N 3.12Å; W345-F348 HydrophobicContact CB-CD2 3.85Å; W345-F348 HydrophobicContact CD2-CD2 4.43Å; W345-F348 AromaticContact CE3-CD2 3.68Å; W345-F348 HydrophobicContact CE3-CD2 3.68Å; W345-F348 AromaticContact CE3-CE2 3.92Å; W345-F348 HydrophobicContact CE3-CE2 3.92Å; W345-F348 CarbonylContact O-C 3.57Å; W345-F348 PolarHBondContact O-N 3.32Å; W345-A349 WeakPolarHBondContact O-CB 3.09Å; W345-A349 PolarHBondContact O-N 2.88Å; W345-A349 VanDerWaalsContact O-N 3.14Å
346D96.2Very high97.3Very high126 Ų12628.3 Ų28.367%0.67416%0.159SC*.G310 helixtrans-58.4-33.7-172.1-71.9-14.8000113.3F348 K382D346-F348 PolarHBondContact O-N 2.91Å; D346-K382 IonicContact OD1-NZ 2.68Å
347A97.2Very high97.3Very high38 Ų3831.6 Ų31.631%0.31418%0.176SC..G310 helixtrans-63.1-21.4176.200000114.1V298 W345V298-A347 HydrophobicContact CG2-CB 3.94Å; W345-A347 PolarHBondContact O-N 3.01Å; W345-A347 VanDerWaalsContact O-N 3.12Å
348F98Very high97.5Very high0 Ų033.7 Ų33.70%019%0.186CC..G310 helixtrans-12818.3-172.5-47.5-68.2000112.8V287 A289 V298 L314 D315 V342 W345 D346V287-F348 HydrophobicContact CB-CD1 4.44Å; V287-F348 HydrophobicContact CG1-CD1 3.89Å; V287-F348 HydrophobicContact CG1-CE1 3.97Å; A289-F348 HydrophobicContact CB-CE1 3.99Å; A289-F348 HydrophobicContact CB-CZ 3.65Å; V298-F348 HydrophobicContact CG2-CE1 4.25Å; V298-F348 HydrophobicContact CG2-CZ 4.03Å; L314-F348 HydrophobicContact CB-CB 4Å; L314-F348 HydrophobicContact CB-CD1 3.49Å; L314-F348 VanDerWaalsContact CB-CD1 3.49Å; L314-F348 HydrophobicContact CB-CD2 4.32Å; L314-F348 HydrophobicContact CB-CE1 4Å; L314-F348 HydrophobicContact CB-CG 3.66Å; L314-F348 HydrophobicContact CD1-CD1 4.15Å; L314-F348 HydrophobicContact CD1-CD2 3.99Å; L314-F348 HydrophobicContact CD1-CE1 3.95Å; L314-F348 HydrophobicContact CD1-CE2 3.79Å; L314-F348 HydrophobicContact CD1-CG 4.15Å; L314-F348 HydrophobicContact CD1-CZ 3.78Å; L314-F348 HydrophobicContact CG-CD1 4.36Å; L314-F348 HydrophobicContact CG-CE1 4.42Å; D315-F348 HydrophobicContact CB-CB 4.07Å; D315-F348 WeakPolarHBondContact CB-O 3.4Å; D315-F348 VanDerWaalsContact CG-O 3.23Å; D315-F348 VanDerWaalsContact OD2-C 3.25Å; V342-F348 CarbonylContact C-O 3.53Å; V342-F348 HydrophobicContact CB-CB 4.17Å; V342-F348 PolarHBondContact N-O 3.26Å; W345-F348 HydrophobicContact CB-CD2 3.85Å; W345-F348 HydrophobicContact CD2-CD2 4.43Å; W345-F348 AromaticContact CE3-CD2 3.68Å; W345-F348 HydrophobicContact CE3-CD2 3.68Å; W345-F348 AromaticContact CE3-CE2 3.92Å; W345-F348 HydrophobicContact CE3-CE2 3.92Å; W345-F348 CarbonylContact O-C 3.57Å; W345-F348 PolarHBondContact O-N 3.32Å; D346-F348 PolarHBondContact O-N 2.91Å
349A97.6Very high97.7Very high5 Ų533.4 Ų33.44%0.04118%0.183CC..  trans-100.5-15-179.700000113.9F343 W345 G351 T352 K353 W383F343-A349 HydrophobicContact CB-CB 4.49Å; W345-A349 WeakPolarHBondContact O-CB 3.09Å; W345-A349 PolarHBondContact O-N 2.88Å; W345-A349 VanDerWaalsContact O-N 3.14Å; A349-G351 PolarHBondContact O-N 3.43Å; A349-T352 PolarHBondContact O-N 3.24Å; A349-K353 WeakPolarHBondContact O-CB 3.4Å; A349-K353 PolarHBondContact O-N 3.23Å; A349-W383 HydrophobicContact CB-CZ2 4.23Å
350N98.1Very high97.8Very high104 Ų10434.2 Ų34.256%0.55619%0.187SC*.Hα-helixtrans-65.2-39.9-168.1-75.7-28.5000113.3D315 K353 A354D315-N350 PolarHBondContact OD2-N 3.31Å; N350-K353 PolarHBondContact O-N 3.09Å; N350-A354 WeakPolarHBondContact O-CB 3.36Å; N350-A354 PolarHBondContact O-N 2.78Å
351G98.4Very high97.9Very high0 Ų038.2 Ų38.20%020%0.204CC..Hα-helixtrans-64.4-46.2178.200000112.2D315 C316 N321 A349 L355D315-G351 WeakPolarHBondContact OD1-CA 3.3Å; D315-G351 PolarHBondContact OD1-N 3.48Å; D315-G351 PolarHBondContact OD2-N 3.27Å; C316-G351 VanDerWaalsContact SG-CA 3.57Å; N321-G351 WeakPolarHBondContact OD1-CA 3.2Å; A349-G351 PolarHBondContact O-N 3.43Å; G351-L355 WeakPolarHBondContact O-CB 3.26Å; G351-L355 PolarHBondContact O-N 3Å
352T98.3Very high98Very high0 Ų038 Ų380%020%0.201CC..Hα-helixtrans-63-43.5174.9-56.20000111.3W336 P339 L340 G341 F343 A349 L355 M356 C379 W383W336-T352 HydrophobicContact CH2-CG2 3.98Å; W336-T352 HydrophobicContact CZ2-CG2 3.84Å; P339-T352 HydrophobicContact CB-CG2 3.8Å; L340-T352 PolarHBondContact N-OG1 2.86Å; G341-T352 PolarHBondContact N-OG1 3.49Å; F343-T352 HydrophobicContact CB-CG2 4.47Å; A349-T352 PolarHBondContact O-N 3.24Å; T352-L355 PolarHBondContact O-N 3.06Å; T352-M356 PolarHBondContact O-N 3.26Å; T352-C379 HydrophobicContact CG2-CB 4.49Å; T352-W383 HydrophobicContact CG2-CH2 3.77Å; T352-W383 HydrophobicContact CG2-CZ3 3.8Å
353K98.5Very high98Very high57 Ų5738 Ų3825%0.24820%0.201CC..Hα-helixtrans-64.9-46.1178.1-18060.8169.679.90112.6A349 N350 L355 M356 D357 W383A349-K353 WeakPolarHBondContact O-CB 3.4Å; A349-K353 PolarHBondContact O-N 3.23Å; N350-K353 PolarHBondContact O-N 3.09Å; K353-L355 VanDerWaalsContact C-N 3.29Å; K353-L355 PolarHBondContact O-N 3.17Å; K353-M356 WeakPolarHBondContact O-CB 3.35Å; K353-M356 PolarHBondContact O-N 2.69Å; K353-M356 VanDerWaalsContact O-N 3.16Å; K353-D357 IonicContact NZ-OD1 2.92Å; K353-D357 PolarHBondContact NZ-OD1 3.13Å; K353-D357 IonicContact NZ-OD2 2.86Å; K353-D357 PolarHBondContact NZ-OD2 2.86Å; K353-D357 PolarHBondContact O-N 2.82Å; K353-W383 HydrophobicContact CB-CH2 4.17Å; K353-W383 HydrophobicContact CB-CZ2 4.07Å; K353-W383 HydrophobicContact CB-CZ3 4.44Å; K353-W383 HydrophobicContact CD-CB 4.16Å; K353-W383 HydrophobicContact CD-CD2 3.46Å; K353-W383 VanDerWaalsContact CD-CD2 3.46Å; K353-W383 HydrophobicContact CD-CE3 3.86Å; K353-W383 HydrophobicContact CD-CG 3.56Å; K353-W383 HydrophobicContact CD-CZ2 4.38Å; K353-W383 HydrophobicContact CD-CZ3 4.43Å
354A98.6Very high98.1Very high34 Ų3442.2 Ų42.228%0.28123%0.232SC..Hα-helixtrans-61.6-40179.200000111.4N321 N350 D357 E358N321-A354 HydrophobicContact CB-CB 4.29Å; N350-A354 WeakPolarHBondContact O-CB 3.36Å; N350-A354 PolarHBondContact O-N 2.78Å; A354-D357 PolarHBondContact O-N 2.92Å; A354-E358 PolarHBondContact O-N 2.67Å
355L98.7Very high98.2Very high5 Ų544.7 Ų44.73%0.02624%0.241CC..Hα-helixtrans-63.6-44.3173.7-177.568.8000111.9I211 V328 W336 L340 G351 T352 K353 D357 E358 I359I211-L355 HydrophobicContact CD1-CD1 4.1Å; I211-L355 HydrophobicContact CD1-CD2 4.04Å; I211-L355 HydrophobicContact CD1-CG 4.42Å; I211-L355 HydrophobicContact CG2-CD2 3.69Å; V328-L355 HydrophobicContact CG2-CD1 3.73Å; W336-L355 HydrophobicContact CD2-CD2 4.2Å; W336-L355 HydrophobicContact CH2-CB 4.46Å; W336-L355 HydrophobicContact CH2-CD2 4.12Å; W336-L355 HydrophobicContact CH2-CG 4.38Å; W336-L355 HydrophobicContact CZ2-CD2 3.67Å; W336-L355 HydrophobicContact CZ2-CG 4.4Å; L340-L355 HydrophobicContact CD1-CB 3.84Å; L340-L355 HydrophobicContact CD1-CD2 3.5Å; L340-L355 HydrophobicContact CD1-CG 4.2Å; L340-L355 HydrophobicContact CD2-CD2 4.27Å; L340-L355 HydrophobicContact CG-CD2 3.98Å; G351-L355 WeakPolarHBondContact O-CB 3.26Å; G351-L355 PolarHBondContact O-N 3Å; T352-L355 PolarHBondContact O-N 3.06Å; K353-L355 VanDerWaalsContact C-N 3.29Å; K353-L355 PolarHBondContact O-N 3.17Å; L355-D357 VanDerWaalsContact C-N 3.29Å; L355-D357 PolarHBondContact O-N 3.02Å; L355-E358 PolarHBondContact O-N 3.3Å; L355-I359 HydrophobicContact CD1-CD1 4.32Å; L355-I359 HydrophobicContact CD2-CD1 4.32Å; L355-I359 HydrophobicContact CG-CD1 3.88Å; L355-I359 WeakPolarHBondContact O-CG1 3.37Å; L355-I359 PolarHBondContact O-N 2.98Å
356M98.7Very high98.2Very high0 Ų045.2 Ų45.20%026%0.261CS..Hα-helixtrans-55.7-44.5175.7-174.86970.800111.6W336 T352 K353 E358 I359 V360 C379 C380 W383 T385W336-M356 HydrophobicContact CE3-CE 4.19Å; W336-M356 HydrophobicContact CE3-SD 4.43Å; W336-M356 HydrophobicContact CH2-CB 4.06Å; W336-M356 HydrophobicContact CH2-CE 3.68Å; W336-M356 HydrophobicContact CH2-SD 4.43Å; W336-M356 HydrophobicContact CZ3-CB 3.93Å; W336-M356 HydrophobicContact CZ3-CE 3.26Å; W336-M356 HydrophobicContact CZ3-CG 4.38Å; W336-M356 HydrophobicContact CZ3-SD 3.61Å; T352-M356 PolarHBondContact O-N 3.26Å; K353-M356 WeakPolarHBondContact O-CB 3.35Å; K353-M356 PolarHBondContact O-N 2.69Å; K353-M356 VanDerWaalsContact O-N 3.16Å; M356-E358 PolarHBondContact O-N 2.62Å; M356-I359 PolarHBondContact O-N 3.32Å; M356-V360 WeakPolarHBondContact O-CG2 3.36Å; M356-V360 PolarHBondContact O-N 3.09Å; M356-C379 HydrophobicContact CE-CB 4.16Å; M356-C380 HydrophobicContact CE-CB 4.21Å; M356-C380 WeakPolarHBondContact CE-SG 3.43Å; M356-C380 VanDerWaalsContact SD-SG 3.69Å; M356-W383 HydrophobicContact CE-CE3 4.41Å; M356-T385 HydrophobicContact CG-CG2 4.04Å
357D98.6Very high98.3Very high68 Ų6839.5 Ų39.536%0.36423%0.231SC..Hα-helixtrans-65-40.2-178.4-70.3-23.4000112.5K353 A354 L355 I359 V360 K361K353-D357 IonicContact NZ-OD1 2.92Å; K353-D357 PolarHBondContact NZ-OD1 3.13Å; K353-D357 IonicContact NZ-OD2 2.86Å; K353-D357 PolarHBondContact NZ-OD2 2.86Å; K353-D357 PolarHBondContact O-N 2.82Å; A354-D357 PolarHBondContact O-N 2.92Å; L355-D357 VanDerWaalsContact C-N 3.29Å; L355-D357 PolarHBondContact O-N 3.02Å; D357-I359 VanDerWaalsContact C-N 3.35Å; D357-V360 PolarHBondContact O-N 3.05Å; D357-K361 WeakPolarHBondContact O-CB 3.33Å; D357-K361 PolarHBondContact O-N 3.21Å
358E98.8Very high98.4Very high51 Ų5138.6 Ų38.624%0.23822%0.22CC..Hα-helixtrans-70.1-31.9174.6-69.3-63.6139.800112.2A325 V328 A354 L355 M356 K361 A362A325-E358 HydrophobicContact CB-CG 3.69Å; V328-E358 HydrophobicContact CB-CB 4.48Å; V328-E358 HydrophobicContact CG1-CB 4.04Å; V328-E358 WeakPolarHBondContact CG1-O 3.39Å; A354-E358 PolarHBondContact O-N 2.67Å; L355-E358 PolarHBondContact O-N 3.3Å; M356-E358 PolarHBondContact O-N 2.62Å; E358-K361 PolarHBondContact O-N 3.34Å; E358-K361 IonicContact OE1-NZ 3.55Å; E358-K361 PolarHBondContact OE1-NZ 3Å; E358-K361 VanDerWaalsContact OE1-NZ 3.11Å; E358-K361 WeakPolarHBondContact OE2-CD 3.43Å; E358-K361 IonicContact OE2-NZ 2.7Å; E358-K361 PolarHBondContact OE2-NZ 3.33Å; E358-A362 WeakPolarHBondContact O-CB 3.47Å; E358-A362 PolarHBondContact O-N 3.49Å
359I98.8Very high98.4Very high0 Ų038.6 Ų38.60%022%0.22CC..Hα-helixtrans-67.8-42.4173-71.4170.3000111.1I211 V328 I334 W336 L355 M356 D357 K361 A362 T363 T369 V389I211-I359 HydrophobicContact CD1-CD1 3.74Å; I211-I359 HydrophobicContact CD1-CG1 4.44Å; V328-I359 HydrophobicContact CG1-CG1 4.13Å; V328-I359 HydrophobicContact CG2-CG1 4.27Å; I334-I359 HydrophobicContact CD1-CG1 4.24Å; I334-I359 HydrophobicContact CG2-CD1 4.47Å; W336-I359 HydrophobicContact CB-CD1 4.43Å; W336-I359 HydrophobicContact CD2-CD1 3.86Å; W336-I359 HydrophobicContact CE3-CD1 3.25Å; W336-I359 HydrophobicContact CG-CD1 4.36Å; W336-I359 HydrophobicContact CZ3-CD1 3.7Å; L355-I359 HydrophobicContact CD1-CD1 4.32Å; L355-I359 HydrophobicContact CD2-CD1 4.32Å; L355-I359 HydrophobicContact CG-CD1 3.88Å; L355-I359 WeakPolarHBondContact O-CG1 3.37Å; L355-I359 PolarHBondContact O-N 2.98Å; M356-I359 PolarHBondContact O-N 3.32Å; D357-I359 VanDerWaalsContact C-N 3.35Å; I359-K361 VanDerWaalsContact C-N 3.32Å; I359-K361 PolarHBondContact O-N 2.98Å; I359-A362 PolarHBondContact O-N 3.44Å; I359-T363 PolarHBondContact O-N 3.32Å; I359-T363 PolarHBondContact O-OG1 3.04Å; I359-T369 HydrophobicContact CG2-CG2 3.77Å; I359-V389 HydrophobicContact CG2-CG1 4.21Å
360V98.8Very high98.4Very high31 Ų3138.4 Ų38.419%0.18822%0.219CC..Hα-helixtrans-59.2-45.1173.6163.60000110.5M356 D357 A362 T363 S364 T385 K388 V389M356-V360 WeakPolarHBondContact O-CG2 3.36Å; M356-V360 PolarHBondContact O-N 3.09Å; D357-V360 PolarHBondContact O-N 3.05Å; V360-A362 PolarHBondContact O-N 3.36Å; V360-T363 WeakPolarHBondContact O-CB 3.47Å; V360-T363 PolarHBondContact O-N 2.86Å; V360-S364 PolarHBondContact O-N 3.3Å; V360-T385 HydrophobicContact CG2-CG2 4.03Å; V360-K388 HydrophobicContact CB-CB 4.45Å; V360-K388 HydrophobicContact CG1-CB 3.86Å; V360-K388 HydrophobicContact CG1-CD 4.24Å; V360-K388 HydrophobicContact CG2-CB 3.82Å; V360-V389 HydrophobicContact CG2-CG1 4.29Å
361K98.7Very high98.3Very high90 Ų9033.5 Ų33.539%0.39119%0.192SC..Hα-helixtrans-66.2-34176.3-178.7-173174.6-167.30113.3D357 E358 I359 S364 K365D357-K361 WeakPolarHBondContact O-CB 3.33Å; D357-K361 PolarHBondContact O-N 3.21Å; E358-K361 PolarHBondContact O-N 3.34Å; E358-K361 IonicContact OE1-NZ 3.55Å; E358-K361 PolarHBondContact OE1-NZ 3Å; E358-K361 VanDerWaalsContact OE1-NZ 3.11Å; E358-K361 WeakPolarHBondContact OE2-CD 3.43Å; E358-K361 IonicContact OE2-NZ 2.7Å; E358-K361 PolarHBondContact OE2-NZ 3.33Å; I359-K361 VanDerWaalsContact C-N 3.32Å; I359-K361 PolarHBondContact O-N 2.98Å; K361-S364 PolarHBondContact O-OG 3.23Å; K361-K365 WeakPolarHBondContact O-CG 3.46Å
362A98.7Very high98Very high9 Ų933.5 Ų33.57%0.07419%0.192CC..Hα-helixtrans-68-41.617200000110.7V328 I334 E358 I359 V360 S364 K365 G366 C367V328-A362 HydrophobicContact CG1-CB 3.89Å; I334-A362 HydrophobicContact CD1-CB 4.35Å; E358-A362 WeakPolarHBondContact O-CB 3.47Å; E358-A362 PolarHBondContact O-N 3.49Å; I359-A362 PolarHBondContact O-N 3.44Å; V360-A362 PolarHBondContact O-N 3.36Å; A362-S364 PolarHBondContact O-N 3.1Å; A362-K365 WeakPolarHBondContact O-CB 3.35Å; A362-K365 PolarHBondContact O-N 3.11Å; A362-K365 VanDerWaalsContact O-N 3.07Å; A362-G366 PolarHBondContact O-N 3.12Å; A362-C367 HydrophobicContact CB-CB 3.9Å; A362-C367 WeakPolarHBondContact O-CB 3.45Å; A362-C367 PolarHBondContact O-N 3.46Å
363T98.6Very high97.5Very high23 Ų2334 Ų3414%0.14120%0.197CC..Hα-helixtrans-59.1-46.3177.5-50.70000111.2I359 V360 K365 G366 C367 T369 K388I359-T363 PolarHBondContact O-N 3.32Å; I359-T363 PolarHBondContact O-OG1 3.04Å; V360-T363 WeakPolarHBondContact O-CB 3.47Å; V360-T363 PolarHBondContact O-N 2.86Å; T363-K365 PolarHBondContact O-N 3.36Å; T363-K365 VanDerWaalsContact O-N 3.11Å; T363-G366 PolarHBondContact O-N 3.21Å; T363-C367 WeakPolarHBondContact CA-O 3.23Å; T363-T369 WeakPolarHBondContact OG1-CB 3.28Å; T363-T369 WeakPolarHBondContact OG1-CG2 3.41Å; T363-T369 PolarHBondContact OG1-OG1 2.86Å; T363-K388 WeakPolarHBondContact CB-O 3.15Å; T363-K388 WeakPolarHBondContact CG2-O 3.45Å
364S98.3Very high96.9Very high101 Ų10133.2 Ų33.271%0.70621%0.205SC*.THydrogen-bonded Turntrans-64.5-16.3178.569.70000113.8V360 K361 A362V360-S364 PolarHBondContact O-N 3.3Å; K361-S364 PolarHBondContact O-OG 3.23Å; A362-S364 PolarHBondContact O-N 3.1Å
365K97.9Very high96.5Very high152 Ų15236.1 Ų36.166%0.66122%0.216SC*.THydrogen-bonded Turntrans-94.28.4173.1-65.3173.8-179.1-177.10113.6K361 A362 T363K361-K365 WeakPolarHBondContact O-CG 3.46Å; A362-K365 WeakPolarHBondContact O-CB 3.35Å; A362-K365 PolarHBondContact O-N 3.11Å; A362-K365 VanDerWaalsContact O-N 3.07Å; T363-K365 PolarHBondContact O-N 3.36Å; T363-K365 VanDerWaalsContact O-N 3.11Å
366G97.3Very high96.3Very high55 Ų5535.9 Ų35.957%0.56722%0.215SC*.THydrogen-bonded Turntrans92.49.1178.100000115.3A362 T363A362-G366 PolarHBondContact O-N 3.12Å; T363-G366 PolarHBondContact O-N 3.21Å
367C98.4Very high96Very high7 Ų736.9 Ų36.95%0.04722%0.223CC..  trans-69.9133.6170.2-175.60000110.3A331 K332 A362 T363 T369A331-C367 PolarHBondContact O-SG 3.12Å; A331-C367 VanDerWaalsContact O-SG 3.41Å; K332-C367 WeakPolarHBondContact O-CA 3.49Å; K332-C367 PolarHBondContact O-SG 2.88Å; K332-C367 VanDerWaalsContact O-SG 3.39Å; A362-C367 HydrophobicContact CB-CB 3.9Å; A362-C367 WeakPolarHBondContact O-CB 3.45Å; A362-C367 PolarHBondContact O-N 3.46Å; T363-C367 WeakPolarHBondContact CA-O 3.23Å; C367-T369 HydrophobicContact CB-CG2 4.46Å; C367-T369 PolarHBondContact O-N 3.03Å
368I98.2Very high95.7Very high19 Ų1937.2 Ų37.210%0.09723%0.228CC..EExtended strand (participates in β ladder)trans-79.9117.8174.6-58.3-176.1000108.8Y196 K199 E205 K332 L333 I334 I370Y196-I368 HydrophobicContact CD1-CG2 4.19Å; Y196-I368 HydrophobicContact CE1-CG2 4.19Å; K199-I368 HydrophobicContact CD-CD1 3.9Å; E205-I368 WeakPolarHBondContact OE1-CD1 3.21Å; K332-I368 PolarHBondContact O-N 2.79Å; L333-I368 CarbonylContact C-O 3.59Å; L333-I368 VanDerWaalsContact CA-O 3.29Å; L333-I368 WeakPolarHBondContact CA-O 3.41Å; L333-I368 HydrophobicContact CD1-CB 4.45Å; L333-I368 HydrophobicContact CD1-CG2 4.41Å; L333-I368 HydrophobicContact CG-CB 4.22Å; L333-I368 HydrophobicContact CG-CG2 4.39Å; I334-I368 PolarHBondContact N-O 2.78Å; I368-I370 HydrophobicContact CG2-CG1 4.46Å
369T98.4Very high95.5Very high0 Ų034.8 Ų34.80%022%0.217CC..EExtended strand (participates in β ladder)trans-118.4122-17657.60000111.7I334 I359 T363 C367 V389 S390 H391I334-T369 HydrophobicContact CB-CG2 4.21Å; I334-T369 HydrophobicContact CD1-CG2 4.21Å; I334-T369 HydrophobicContact CG1-CG2 4.49Å; I359-T369 HydrophobicContact CG2-CG2 3.77Å; T363-T369 WeakPolarHBondContact OG1-CB 3.28Å; T363-T369 WeakPolarHBondContact OG1-CG2 3.41Å; T363-T369 PolarHBondContact OG1-OG1 2.86Å; C367-T369 HydrophobicContact CB-CG2 4.46Å; C367-T369 PolarHBondContact O-N 3.03Å; T369-V389 WeakPolarHBondContact OG1-CA 3.4Å; T369-V389 WeakPolarHBondContact OG1-CB 3.39Å; T369-S390 PolarHBondContact N-OG 2.76Å; T369-S390 VanDerWaalsContact O-CB 3.28Å; T369-S390 WeakPolarHBondContact O-CB 3.45Å; T369-S390 PolarHBondContact O-N 3.43Å; T369-S390 PolarHBondContact OG1-N 3.45Å; T369-S390 PolarHBondContact OG1-OG 2.8Å; T369-H391 PolarHBondContact O-N 2.8Å
370I97.4Very high95.3Very high1 Ų134.8 Ų34.81%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-117.7114.4-177.8-57.4171.2000108.5Y196 F197 A200 I334 V335 W336 I368Y196-I370 HydrophobicContact CD1-CD1 4.39Å; Y196-I370 HydrophobicContact CD1-CG1 4.12Å; Y196-I370 WeakPolarHBondContact O-CD1 3.36Å; F197-I370 HydrophobicContact CE1-CG2 4Å; F197-I370 HydrophobicContact CZ-CG2 4.1Å; A200-I370 HydrophobicContact CB-CD1 3.94Å; I334-I370 PolarHBondContact O-N 2.91Å; V335-I370 WeakPolarHBondContact CA-O 3.37Å; V335-I370 HydrophobicContact CG2-CB 4.21Å; V335-I370 HydrophobicContact CG2-CD1 4.3Å; W336-I370 PolarHBondContact N-O 3.24Å; I368-I370 HydrophobicContact CG2-CG1 4.46Å
371I96.1Very high95Very high1 Ų135.3 Ų35.31%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-92.4117.9174.7-53.8-56.5000108.9W336 T376 V389 H391 V392 S393W336-I371 HydrophobicContact CB-CD1 4.08Å; W336-I371 HydrophobicContact CD2-CD1 4.39Å; W336-I371 HydrophobicContact CE3-CD1 3.67Å; I371-T376 HydrophobicContact CG2-CG2 3.5Å; I371-V389 HydrophobicContact CD1-CG1 4.49Å; I371-V389 HydrophobicContact CG1-CB 4.3Å; I371-V389 HydrophobicContact CG1-CG1 4.32Å; I371-V389 HydrophobicContact CG1-CG2 3.94Å; I371-H391 PolarHBondContact N-O 2.71Å; I371-V392 HydrophobicContact CB-CB 4.44Å; I371-V392 HydrophobicContact CB-CG1 4.33Å; I371-V392 HydrophobicContact CB-CG2 4.19Å; I371-V392 HydrophobicContact CG1-CG2 4.26Å; I371-V392 HydrophobicContact CG2-CG1 4.32Å; I371-S393 WeakPolarHBondContact O-CB 3.24Å; I371-S393 PolarHBondContact O-N 3.03Å
372G92Very high94.8Very high0 Ų035 Ų350%022%0.223CC..EExtended strand (participates in β ladder)trans-118156.8176.900000112W336 N337W336-G372 PolarHBondContact O-N 3.27Å; N337-G372 WeakPolarHBondContact CA-O 3.45Å; N337-G372 VanDerWaalsContact ND2-C 3.26Å; N337-G372 PolarHBondContact ND2-O 2.92Å
373G87.2Confident94.7Very high10 Ų1036.6 Ų36.610%0.10323%0.227CC..SBendtrans83.9145.1-178.800000113.8N337 A377 S399N337-G373 WeakPolarHBondContact ND2-CA 3.27Å; N337-G373 PolarHBondContact ND2-N 3.42Å; G373-A377 PolarHBondContact O-N 3.36Å; G373-A377 VanDerWaalsContact O-N 3.15Å; G373-S399 PolarHBondContact N-OG 2.87Å
374G86.4Confident94.6Very high40 Ų4040.8 Ų40.841%0.41225%0.249SC..Hα-helixtrans-61.9-46.3-174.900000113T376 A377 T378G374-T376 PolarHBondContact O-N 3.18Å; G374-A377 PolarHBondContact O-N 2.83Å; G374-T378 PolarHBondContact O-N 3.31Å; G374-T378 PolarHBondContact O-OG1 2.93Å; G374-T378 VanDerWaalsContact O-OG1 3.11Å
375D91Very high94.5Very high95 Ų9536.2 Ų36.251%0.50822%0.216SC..Hα-helixtrans-66.5-38.4-175.5-56-26.4000112.3P339 F343 T378 C379P339-D375 HydrophobicContact CG-CB 4.19Å; F343-D375 HydrophobicContact CE1-CB 4.33Å; D375-T378 WeakPolarHBondContact O-CB 3.37Å; D375-T378 PolarHBondContact O-N 2.95Å; D375-C379 PolarHBondContact O-N 2.96Å; D375-C379 PolarHBondContact O-SG 3.09Å
376T93.9Very high94.3Very high0 Ų031.9 Ų31.90%020%0.198CC..Hα-helixtrans-70.4-36.2176.4-47.50000111.6W336 G338 I371 G374 C379 C380W336-T376 HydrophobicContact CD2-CG2 3.51Å; W336-T376 HydrophobicContact CE3-CG2 3.77Å; W336-T376 HydrophobicContact CG-CG2 3.94Å; W336-T376 HydrophobicContact CH2-CG2 4.35Å; W336-T376 HydrophobicContact CZ2-CG2 4.09Å; W336-T376 HydrophobicContact CZ3-CG2 4.2Å; G338-T376 VanDerWaalsContact CA-OG1 3.28Å; G338-T376 WeakPolarHBondContact CA-OG1 3.3Å; G338-T376 PolarHBondContact N-OG1 2.91Å; I371-T376 HydrophobicContact CG2-CG2 3.5Å; G374-T376 PolarHBondContact O-N 3.18Å; T376-C379 VanDerWaalsContact O-CB 3.32Å; T376-C379 WeakPolarHBondContact O-CB 3.34Å; T376-C379 PolarHBondContact O-N 2.84Å; T376-C380 PolarHBondContact O-N 2.75Å
377A92.2Very high94.2Very high22 Ų2235.7 Ų35.718%0.18221%0.206CC..Hα-helixtrans-64.2-40.4171.200000111.8G373 G374 C379 C380 A381 V392G373-A377 PolarHBondContact O-N 3.36Å; G373-A377 VanDerWaalsContact O-N 3.15Å; G374-A377 PolarHBondContact O-N 2.83Å; A377-C379 VanDerWaalsContact C-N 3.31Å; A377-C379 PolarHBondContact O-N 3.06Å; A377-C380 WeakPolarHBondContact O-CB 3.31Å; A377-C380 PolarHBondContact O-N 3.34Å; A377-A381 PolarHBondContact O-N 3.44Å; A377-V392 HydrophobicContact CB-CG1 3.66Å
378T91.8Very high94.2Very high75 Ų7540 Ų4046%0.4622%0.224SC..Hα-helixtrans-60.9-40172.7-61.70000111.6F343 G374 D375 A381 K382F343-T378 HydrophobicContact CE2-CG2 4Å; F343-T378 HydrophobicContact CZ-CG2 4.11Å; G374-T378 PolarHBondContact O-N 3.31Å; G374-T378 PolarHBondContact O-OG1 2.93Å; G374-T378 VanDerWaalsContact O-OG1 3.11Å; D375-T378 WeakPolarHBondContact O-CB 3.37Å; D375-T378 PolarHBondContact O-N 2.95Å; T378-A381 PolarHBondContact O-N 2.91Å; T378-K382 WeakPolarHBondContact O-CB 3.16Å; T378-K382 PolarHBondContact O-N 3.28Å
379C95Very high94.2Very high0 Ų039.6 Ų39.60%022%0.222CC..Hα-helixtrans-59.9-45.4172.7-70.10000111.8F343 T352 M356 D375 T376 A377 A381 K382 W383F343-C379 WeakPolarHBondContact CD2-SG 3.44Å; F343-C379 WeakPolarHBondContact CG-SG 3.28Å; T352-C379 HydrophobicContact CG2-CB 4.49Å; M356-C379 HydrophobicContact CE-CB 4.16Å; D375-C379 PolarHBondContact O-N 2.96Å; D375-C379 PolarHBondContact O-SG 3.09Å; T376-C379 VanDerWaalsContact O-CB 3.32Å; T376-C379 WeakPolarHBondContact O-CB 3.34Å; T376-C379 PolarHBondContact O-N 2.84Å; A377-C379 VanDerWaalsContact C-N 3.31Å; A377-C379 PolarHBondContact O-N 3.06Å; C379-A381 VanDerWaalsContact C-N 3.29Å; C379-A381 PolarHBondContact O-N 3.21Å; C379-K382 PolarHBondContact O-N 3.26Å; C379-W383 HydrophobicContact CB-CE3 4.01Å; C379-W383 HydrophobicContact CB-CH2 4.22Å; C379-W383 HydrophobicContact CB-CZ3 3.52Å; C379-W383 PolarHBondContact O-N 2.95Å
380C94.8Very high94.1Very high0 Ų041 Ų410%023%0.232CC..Hα-helixtrans-57.2-45.1177-71.10000111.8M356 T376 A377 W383 N384 T385 E386 V392M356-C380 HydrophobicContact CE-CB 4.21Å; M356-C380 WeakPolarHBondContact CE-SG 3.43Å; M356-C380 VanDerWaalsContact SD-SG 3.69Å; T376-C380 PolarHBondContact O-N 2.75Å; A377-C380 WeakPolarHBondContact O-CB 3.31Å; A377-C380 PolarHBondContact O-N 3.34Å; C380-W383 CarbonylContact O-C 3.58Å; C380-W383 PolarHBondContact O-N 2.97Å; C380-N384 PolarHBondContact O-N 3.27Å; C380-T385 VanDerWaalsContact CA-OG1 3.23Å; C380-T385 WeakPolarHBondContact CA-OG1 3.09Å; C380-T385 PolarHBondContact O-N 3.13Å; C380-T385 PolarHBondContact O-OG1 2.82Å; C380-E386 HydrophobicContact CB-CG 3.91Å; C380-V392 HydrophobicContact CB-CG2 4.46Å
381A92.6Very high94.1Very high42 Ų4241.3 Ų41.335%0.34723%0.233SC..Hα-helixtrans-65.5-44.4177.600000113.3A377 T378 C379 W383 N384 E386A377-A381 PolarHBondContact O-N 3.44Å; T378-A381 PolarHBondContact O-N 2.91Å; C379-A381 VanDerWaalsContact C-N 3.29Å; C379-A381 PolarHBondContact O-N 3.21Å; A381-W383 PolarHBondContact O-N 3.08Å; A381-W383 VanDerWaalsContact O-N 3.12Å; A381-N384 PolarHBondContact O-N 3.16Å; A381-E386 WeakPolarHBondContact CA-OE1 3.35Å; A381-E386 WeakPolarHBondContact CA-OE2 3.5Å; A381-E386 VanDerWaalsContact CB-OE1 3.28Å; A381-E386 WeakPolarHBondContact CB-OE1 3.45Å
382K93.8Very high94Very high82 Ų8242.7 Ų42.736%0.35724%0.242SC..Hα-helixtrans-54-34.9176.7-179.5174.7175.7172.30111.6F343 D346 T378 C379F343-K382 HydrophobicContact CD2-CD 4.25Å; F343-K382 PolarHBondContact O-NZ 3.2Å; D346-K382 IonicContact OD1-NZ 2.68Å; T378-K382 WeakPolarHBondContact O-CB 3.16Å; T378-K382 PolarHBondContact O-N 3.28Å; C379-K382 PolarHBondContact O-N 3.26Å
383W96.5Very high94Very high43 Ų4342.9 Ų42.916%0.16324%0.243CC..THydrogen-bonded Turntrans-109.711.5-175.4-58.6-52.3000115F343 A349 T352 K353 M356 C379 C380 A381 T385F343-W383 HydrophobicContact CB-CH2 4.03Å; F343-W383 HydrophobicContact CB-CZ2 4.44Å; A349-W383 HydrophobicContact CB-CZ2 4.23Å; T352-W383 HydrophobicContact CG2-CH2 3.77Å; T352-W383 HydrophobicContact CG2-CZ3 3.8Å; K353-W383 HydrophobicContact CB-CH2 4.17Å; K353-W383 HydrophobicContact CB-CZ2 4.07Å; K353-W383 HydrophobicContact CB-CZ3 4.44Å; K353-W383 HydrophobicContact CD-CB 4.16Å; K353-W383 HydrophobicContact CD-CD2 3.46Å; K353-W383 VanDerWaalsContact CD-CD2 3.46Å; K353-W383 HydrophobicContact CD-CE3 3.86Å; K353-W383 HydrophobicContact CD-CG 3.56Å; K353-W383 HydrophobicContact CD-CZ2 4.38Å; K353-W383 HydrophobicContact CD-CZ3 4.43Å; M356-W383 HydrophobicContact CE-CE3 4.41Å; C379-W383 HydrophobicContact CB-CE3 4.01Å; C379-W383 HydrophobicContact CB-CH2 4.22Å; C379-W383 HydrophobicContact CB-CZ3 3.52Å; C379-W383 PolarHBondContact O-N 2.95Å; C380-W383 CarbonylContact O-C 3.58Å; C380-W383 PolarHBondContact O-N 2.97Å; A381-W383 PolarHBondContact O-N 3.08Å; A381-W383 VanDerWaalsContact O-N 3.12Å; W383-T385 HydrophobicContact CB-CG2 4.37Å
384N96.4Very high93.7Very high112 Ų11244.9 Ų44.960%0.59925%0.253SS*.THydrogen-bonded Turntrans51.459.4179.1-53.5-66.5000112C380 A381 K388C380-N384 PolarHBondContact O-N 3.27Å; A381-N384 PolarHBondContact O-N 3.16Å; N384-K388 WeakPolarHBondContact O-CE 3.25Å; N384-K388 PolarHBondContact O-NZ 3.2Å
385T97.2Very high93.7Very high4 Ų443 Ų433%0.02524%0.235CC..  trans-126.32.3-177.1530000113.5M356 V360 C380 W383 D387 K388 V389M356-T385 HydrophobicContact CG-CG2 4.04Å; V360-T385 HydrophobicContact CG2-CG2 4.03Å; C380-T385 VanDerWaalsContact CA-OG1 3.23Å; C380-T385 WeakPolarHBondContact CA-OG1 3.09Å; C380-T385 PolarHBondContact O-N 3.13Å; C380-T385 PolarHBondContact O-OG1 2.82Å; W383-T385 HydrophobicContact CB-CG2 4.37Å; T385-D387 PolarHBondContact O-N 3.37Å; T385-K388 HydrophobicContact CG2-CD 4.3Å; T385-K388 PolarHBondContact O-N 2.97Å; T385-V389 PolarHBondContact O-N 3.4Å
386E94Very high93.4Very high61 Ų6139.8 Ų39.829%0.28522%0.224SC..THydrogen-bonded Turntrans-59.9-33.2-179-57.7100121.200113.2C380 A381 K388 V392C380-E386 HydrophobicContact CB-CG 3.91Å; A381-E386 WeakPolarHBondContact CA-OE1 3.35Å; A381-E386 WeakPolarHBondContact CA-OE2 3.5Å; A381-E386 VanDerWaalsContact CB-OE1 3.28Å; A381-E386 WeakPolarHBondContact CB-OE1 3.45Å; E386-K388 VanDerWaalsContact C-N 3.34Å; E386-V392 HydrophobicContact CB-CG2 4.13Å; E386-V392 HydrophobicContact CG-CG2 4.38Å
387D94.8Very high93.1Very high135 Ų13541.3 Ų41.372%0.72224%0.239SC*.THydrogen-bonded Turntrans-86.3-4.5177.867.3-37.3000113.4T385T385-D387 PolarHBondContact O-N 3.37Å
388K98Very high93.1Very high99 Ų9940.3 Ų40.343%0.4323%0.231SC..THydrogen-bonded Turntrans-105.1-4.5-177.2-61175.4-171.2152.70113.6V360 T363 N384 T385 E386V360-K388 HydrophobicContact CB-CB 4.45Å; V360-K388 HydrophobicContact CG1-CB 3.86Å; V360-K388 HydrophobicContact CG1-CD 4.24Å; V360-K388 HydrophobicContact CG2-CB 3.82Å; T363-K388 WeakPolarHBondContact CB-O 3.15Å; T363-K388 WeakPolarHBondContact CG2-O 3.45Å; N384-K388 WeakPolarHBondContact O-CE 3.25Å; N384-K388 PolarHBondContact O-NZ 3.2Å; T385-K388 HydrophobicContact CG2-CD 4.3Å; T385-K388 PolarHBondContact O-N 2.97Å; E386-K388 VanDerWaalsContact C-N 3.34Å
389V98.2Very high93.1Very high10 Ų1036.7 Ų36.76%0.06121%0.209CC..SBendtrans-109.8162.1171.9-63.50000109.6I359 V360 T369 I371 T385 V392I359-V389 HydrophobicContact CG2-CG1 4.21Å; V360-V389 HydrophobicContact CG2-CG1 4.29Å; T369-V389 WeakPolarHBondContact OG1-CA 3.4Å; T369-V389 WeakPolarHBondContact OG1-CB 3.39Å; I371-V389 HydrophobicContact CD1-CG1 4.49Å; I371-V389 HydrophobicContact CG1-CB 4.3Å; I371-V389 HydrophobicContact CG1-CG1 4.32Å; I371-V389 HydrophobicContact CG1-CG2 3.94Å; T385-V389 PolarHBondContact O-N 3.4Å; V389-V392 HydrophobicContact CG2-CG2 3.47Å; V389-V392 VanDerWaalsContact CG2-CG2 3.47Å
390S97.5Very high92.9Very high30 Ų3038.8 Ų38.821%0.2122%0.22CC..SBendtrans-68.5-39.9-177.6-45.90000112.2Y196 T369Y196-S390 VanDerWaalsContact CZ-O 3.28Å; Y196-S390 PolarHBondContact OH-O 3.48Å; T369-S390 PolarHBondContact N-OG 2.76Å; T369-S390 VanDerWaalsContact O-CB 3.28Å; T369-S390 WeakPolarHBondContact O-CB 3.45Å; T369-S390 PolarHBondContact O-N 3.43Å; T369-S390 PolarHBondContact OG1-N 3.45Å; T369-S390 PolarHBondContact OG1-OG 2.8Å
391H96Very high92.8Very high6 Ų641.2 Ų41.23%0.02823%0.231CC..EExtended strand (participates in β ladder)trans-153.2135.2-179-171.954.9000113.2K192 E193 Y196 T369 I371K192-H391 WeakPolarHBondContact CE-ND1 3.14Å; E193-H391 IonicContact OE1-NE2 2.71Å; E193-H391 IonicContact OE2-CD2 2.95Å; E193-H391 IonicContact OE2-CE1 3.64Å; E193-H391 IonicContact OE2-NE2 2.68Å; E193-H391 PolarHBondContact OE2-NE2 3.47Å; Y196-H391 HydrophobicContact CD1-CB 3.77Å; Y196-H391 HydrophobicContact CD2-CB 3.5Å; Y196-H391 VanDerWaalsContact CD2-CB 3.5Å; Y196-H391 AromaticContact CD2-CD2 4Å; Y196-H391 AromaticContact CD2-CG 3.42Å; Y196-H391 VanDerWaalsContact CD2-CG 3.42Å; Y196-H391 AromaticContact CD2-ND1 3.69Å; Y196-H391 HydrophobicContact CE1-CB 3.97Å; Y196-H391 HydrophobicContact CE2-CB 3.7Å; Y196-H391 AromaticContact CE2-CG 3.94Å; Y196-H391 HydrophobicContact CG-CB 3.54Å; Y196-H391 AromaticContact CG-CG 3.72Å; T369-H391 PolarHBondContact O-N 2.8Å; I371-H391 PolarHBondContact N-O 2.71Å
392V94.7Very high92.8Very high30 Ų3039.6 Ų39.618%0.18222%0.217CC..EExtended strand (participates in β ladder)trans-114.1116.5166.8-175.70000108.3I371 A377 C380 E386 V389 T394I371-V392 HydrophobicContact CB-CB 4.44Å; I371-V392 HydrophobicContact CB-CG1 4.33Å; I371-V392 HydrophobicContact CB-CG2 4.19Å; I371-V392 HydrophobicContact CG1-CG2 4.26Å; I371-V392 HydrophobicContact CG2-CG1 4.32Å; A377-V392 HydrophobicContact CB-CG1 3.66Å; C380-V392 HydrophobicContact CB-CG2 4.46Å; E386-V392 HydrophobicContact CB-CG2 4.13Å; E386-V392 HydrophobicContact CG-CG2 4.38Å; V389-V392 HydrophobicContact CG2-CG2 3.47Å; V389-V392 VanDerWaalsContact CG2-CG2 3.47Å; V392-T394 PolarHBondContact O-N 3.23Å
393S92.5Very high92.8Very high4 Ų435.8 Ų35.83%0.02820%0.2CC..  trans-69.6130.6179.11510000111.1E193 I371 G395 S399E193-S393 WeakPolarHBondContact OE1-CA 3.32Å; E193-S393 WeakPolarHBondContact OE2-CA 3.47Å; E193-S393 WeakPolarHBondContact OE2-CB 3.47Å; I371-S393 WeakPolarHBondContact O-CB 3.24Å; I371-S393 PolarHBondContact O-N 3.03Å; S393-G395 VanDerWaalsContact C-N 3.29Å; S393-G395 PolarHBondContact O-N 3.09Å; S393-G395 PolarHBondContact OG-N 3.34Å; S393-G395 PolarHBondContact OG-O 2.97Å; S393-S399 VanDerWaalsContact OG-CB 3.31Å; S393-S399 WeakPolarHBondContact OG-CB 3.47Å; S393-S399 PolarHBondContact OG-OG 2.88Å
394T81Confident92.6Very high52 Ų5234.9 Ų34.932%0.31920%0.197SC..SBendtrans-77.4-15.3176.560.90000113.4R39 E193 V392R39-T394 PolarHBondContact NH1-O 3.44Å; E193-T394 WeakPolarHBondContact OE1-CB 3.45Å; E193-T394 PolarHBondContact OE1-N 2.78Å; E193-T394 PolarHBondContact OE1-OG1 2.79Å; V392-T394 PolarHBondContact O-N 3.23Å
395G85.2Confident92.4Very high2 Ų231.8 Ų31.82%0.02119%0.192CC..  trans-115.590.9-174.900000113.5S393 G397 A398 S399S393-G395 VanDerWaalsContact C-N 3.29Å; S393-G395 PolarHBondContact O-N 3.09Å; S393-G395 PolarHBondContact OG-N 3.34Å; S393-G395 PolarHBondContact OG-O 2.97Å; G395-G397 PolarHBondContact O-N 2.92Å; G395-A398 PolarHBondContact O-N 3.17Å; G395-S399 WeakPolarHBondContact O-CB 3.37Å; G395-S399 PolarHBondContact O-N 2.99Å; G395-S399 PolarHBondContact O-OG 3.46Å
396G85.2Confident92.2Very high27 Ų2736 Ų3628%0.27821%0.211SC..Hα-helixtrans-55.7-51.9-17900000113.8S399 L400G396-S399 PolarHBondContact O-OG 3.44Å; G396-L400 WeakPolarHBondContact O-CB 3.4Å; G396-L400 PolarHBondContact O-N 3.27Å
397G87.4Confident92.2Very high32 Ų3236.9 Ų36.933%0.3322%0.219SC..Hα-helixtrans-68.8-42177.900000113.3G395 L400 E401G395-G397 PolarHBondContact O-N 2.92Å; G397-L400 PolarHBondContact O-N 2.99Å; G397-E401 PolarHBondContact O-N 3.24Å
398A91.7Very high92.2Very high0 Ų030.6 Ų30.60%019%0.186CC..Hα-helixtrans-65-44.4-179.700000112.8F166 A169 H170 G395 L402 L408F166-A398 HydrophobicContact CD1-CB 4.18Å; F166-A398 HydrophobicContact CE1-CB 3.87Å; F166-A398 HydrophobicContact CE2-CB 4.4Å; F166-A398 HydrophobicContact CZ-CB 3.98Å; F166-A398 WeakPolarHBondContact O-CB 3.22Å; A169-A398 HydrophobicContact CB-CB 4.43Å; H170-A398 HydrophobicContact CB-CB 4.41Å; H170-A398 PolarHBondContact ND1-N 3.43Å; G395-A398 PolarHBondContact O-N 3.17Å; A398-L402 VanDerWaalsContact O-CB 3.26Å; A398-L402 WeakPolarHBondContact O-CB 3.4Å; A398-L402 PolarHBondContact O-N 2.91Å; A398-L408 HydrophobicContact CB-CD1 4.29Å
399S92.3Very high92.2Very high0 Ų027.4 Ų27.40%018%0.175CC..Hα-helixtrans-62.2-42.3175.352.50000112.1G373 S393 G395 G396 L402 L403G373-S399 PolarHBondContact N-OG 2.87Å; S393-S399 VanDerWaalsContact OG-CB 3.31Å; S393-S399 WeakPolarHBondContact OG-CB 3.47Å; S393-S399 PolarHBondContact OG-OG 2.88Å; G395-S399 WeakPolarHBondContact O-CB 3.37Å; G395-S399 PolarHBondContact O-N 2.99Å; G395-S399 PolarHBondContact O-OG 3.46Å; G396-S399 PolarHBondContact O-OG 3.44Å; S399-L402 PolarHBondContact O-N 3.18Å; S399-L403 WeakPolarHBondContact O-CB 3.46Å; S399-L403 WeakPolarHBondContact O-CG 3.5Å; S399-L403 PolarHBondContact O-N 3.47Å
400L90.6Very high92.1Very high44 Ų4427 Ų2723%0.2317%0.173CC..Hα-helixtrans-60.4-54.7176.5177.560.1000111.2L223 G396 G397 L402 L403 E404L223-L400 HydrophobicContact CB-CD1 4.32Å; L223-L400 HydrophobicContact CD1-CD1 4.46Å; L223-L400 HydrophobicContact CD2-CD1 3.67Å; L223-L400 HydrophobicContact CG-CD1 4.38Å; G396-L400 WeakPolarHBondContact O-CB 3.4Å; G396-L400 PolarHBondContact O-N 3.27Å; G397-L400 PolarHBondContact O-N 2.99Å; L400-L402 VanDerWaalsContact C-N 3.26Å; L400-L402 PolarHBondContact O-N 3.23Å; L400-L403 CarbonylContact O-C 3.47Å; L400-L403 PolarHBondContact O-N 3.43Å; L400-L403 VanDerWaalsContact O-N 3.1Å; L400-E404 HydrophobicContact CD1-CG 4.33Å; L400-E404 VanDerWaalsContact O-CG 3.31Å; L400-E404 WeakPolarHBondContact O-CG 3.41Å; L400-E404 PolarHBondContact O-N 3.29Å
401E93.1Very high92.1Very high50 Ų5025.7 Ų25.723%0.23416%0.163CC..Hα-helixtrans-60.1-37.7-179.3-73.5-169.2-147.400112.4H170 G397 E404 G405 K406 L408H170-E401 HydrophobicContact CB-CG 4.47Å; H170-E401 IonicContact CD2-OE1 3.68Å; H170-E401 PolarHBondContact CD2-OE1 2.93Å; H170-E401 IonicContact CG-OE1 3.69Å; G397-E401 PolarHBondContact O-N 3.24Å; E401-E404 WeakPolarHBondContact O-CB 3.39Å; E401-E404 PolarHBondContact O-N 3.36Å; E401-G405 PolarHBondContact O-N 3Å; E401-K406 HydrophobicContact CB-CB 4.25Å; E401-K406 HydrophobicContact CB-CD 3.86Å; E401-K406 HydrophobicContact CG-CD 3.83Å; E401-K406 VanDerWaalsContact O-CB 3.29Å; E401-K406 WeakPolarHBondContact O-CB 3.41Å; E401-K406 PolarHBondContact O-N 2.9Å; E401-L408 HydrophobicContact CB-CD2 3.87Å
402L93.2Very high92.1Very high9 Ų930.5 Ų30.55%0.04719%0.186CC..Hα-helixtrans-65.4-42.1176-17159000111.8L3 F166 F197 L201 A398 S399 L400 E404 G405 L408L3-L402 HydrophobicContact CD1-CD1 4.08Å; L3-L402 HydrophobicContact CD1-CD2 4.2Å; L3-L402 HydrophobicContact CD1-CG 4.47Å; L3-L402 HydrophobicContact CD2-CD1 3.98Å; F166-L402 HydrophobicContact CE2-CD2 4.28Å; F166-L402 HydrophobicContact CZ-CD2 4.26Å; F197-L402 HydrophobicContact CB-CD2 3.48Å; F197-L402 VanDerWaalsContact CB-CD2 3.48Å; F197-L402 HydrophobicContact CB-CG 4.32Å; F197-L402 HydrophobicContact CD1-CD2 4.19Å; F197-L402 HydrophobicContact CD2-CD2 3.66Å; F197-L402 HydrophobicContact CE2-CD2 4.5Å; F197-L402 HydrophobicContact CG-CD2 3.5Å; F197-L402 HydrophobicContact CG-CG 4.36Å; L201-L402 HydrophobicContact CD1-CD1 4.2Å; L201-L402 HydrophobicContact CD1-CG 3.78Å; L201-L402 WeakPolarHBondContact CD1-O 3.26Å; A398-L402 VanDerWaalsContact O-CB 3.26Å; A398-L402 WeakPolarHBondContact O-CB 3.4Å; A398-L402 PolarHBondContact O-N 2.91Å; S399-L402 PolarHBondContact O-N 3.18Å; L400-L402 VanDerWaalsContact C-N 3.26Å; L400-L402 PolarHBondContact O-N 3.23Å; L402-E404 VanDerWaalsContact C-N 3.27Å; L402-E404 PolarHBondContact O-N 3.41Å; L402-G405 PolarHBondContact O-N 2.9Å; L402-L408 HydrophobicContact CB-CD1 4.07Å; L402-L408 HydrophobicContact CB-CD2 4.39Å; L402-L408 HydrophobicContact CB-CG 4.29Å; L402-L408 HydrophobicContact CD1-CD1 4.27Å; L402-L408 HydrophobicContact CD1-CG 4.19Å; L402-L408 HydrophobicContact CD2-CD1 4.18Å; L402-L408 HydrophobicContact CG-CD1 4.42Å
403L93Very high92.2Very high1 Ų130.3 Ų30.31%0.00519%0.188CC..Hα-helixtrans-69.9-22174.3-69.4171.1000113.1F197 L201 L223 N226 M227 V335 S399 L400 G405F197-L403 HydrophobicContact CD1-CD2 3.91Å; F197-L403 HydrophobicContact CD1-CG 4.2Å; F197-L403 HydrophobicContact CE1-CD1 4.07Å; F197-L403 HydrophobicContact CE1-CD2 3.84Å; F197-L403 HydrophobicContact CE1-CG 3.78Å; L201-L403 HydrophobicContact CD2-CD2 4.24Å; L223-L403 HydrophobicContact CD1-CB 3.38Å; L223-L403 HydrophobicContact CD1-CD1 4.43Å; N226-L403 PolarHBondContact ND2-O 3.42Å; M227-L403 HydrophobicContact SD-CD2 4.23Å; V335-L403 HydrophobicContact CG1-CD1 3.58Å; V335-L403 HydrophobicContact CG1-CD2 3.82Å; V335-L403 HydrophobicContact CG1-CG 4.37Å; V335-L403 HydrophobicContact CG2-CD2 4.34Å; S399-L403 WeakPolarHBondContact O-CB 3.46Å; S399-L403 WeakPolarHBondContact O-CG 3.5Å; S399-L403 PolarHBondContact O-N 3.47Å; L400-L403 CarbonylContact O-C 3.47Å; L400-L403 PolarHBondContact O-N 3.43Å; L400-L403 VanDerWaalsContact O-N 3.1Å; L403-G405 PolarHBondContact O-N 3.16Å
404E93.6Very high92.5Very high24 Ų2430.4 Ų30.411%0.11219%0.188CC..THydrogen-bonded Turntrans-74.7-6.6168.3-68.5175.616200112.7Q222 L223 L400 E401 L402 K406Q222-E404 HydrophobicContact CB-CB 4.13Å; Q222-E404 HydrophobicContact CB-CG 4.01Å; L223-E404 HydrophobicContact CB-CG 3.85Å; L400-E404 HydrophobicContact CD1-CG 4.33Å; L400-E404 VanDerWaalsContact O-CG 3.31Å; L400-E404 WeakPolarHBondContact O-CG 3.41Å; L400-E404 PolarHBondContact O-N 3.29Å; E401-E404 WeakPolarHBondContact O-CB 3.39Å; E401-E404 PolarHBondContact O-N 3.36Å; L402-E404 VanDerWaalsContact C-N 3.27Å; L402-E404 PolarHBondContact O-N 3.41Å; E404-K406 HydrophobicContact CB-CD 4.49Å; E404-K406 HydrophobicContact CB-CG 4.37Å; E404-K406 WeakPolarHBondContact OE2-CE 3.39Å; E404-K406 IonicContact OE2-NZ 3.64Å; E404-K406 PolarHBondContact OE2-NZ 3.46Å
405G91Very high93.3Very high48 Ų4829.4 Ų29.450%0.49518%0.183SC..THydrogen-bonded Turntrans83.412.1-177.800000113.9N226 E401 L402 L403N226-G405 PolarHBondContact ND2-N 2.85Å; E401-G405 PolarHBondContact O-N 3Å; L402-G405 PolarHBondContact O-N 2.9Å; L403-G405 PolarHBondContact O-N 3.16Å
406K93.5Very high93.8Very high93 Ų9334.2 Ų34.240%0.40421%0.208SC..PPolyproline II helixtrans-74.5150.5175.9-64.1170.8174.2161.80110.8E401 E404E401-K406 HydrophobicContact CB-CB 4.25Å; E401-K406 HydrophobicContact CB-CD 3.86Å; E401-K406 HydrophobicContact CG-CD 3.83Å; E401-K406 VanDerWaalsContact O-CB 3.29Å; E401-K406 WeakPolarHBondContact O-CB 3.41Å; E401-K406 PolarHBondContact O-N 2.9Å; E404-K406 HydrophobicContact CB-CD 4.49Å; E404-K406 HydrophobicContact CB-CG 4.37Å; E404-K406 WeakPolarHBondContact OE2-CE 3.39Å; E404-K406 IonicContact OE2-NZ 3.64Å; E404-K406 PolarHBondContact OE2-NZ 3.46Å
407V93.6Very high93.9Very high78 Ų7840.1 Ų40.147%0.47323%0.232SC..PPolyproline II helixtrans-80.6122.7169.7-179.90000108.1P409 E412V407-P409 WeakPolarHBondContact O-CD 3.35Å; V407-E412 HydrophobicContact CG1-CB 3.79Å; V407-E412 HydrophobicContact CG1-CG 4.33Å
408L95.9Very high94.2Very high4 Ų440.5 Ų40.52%0.02123%0.228CC..PPolyproline II helixtrans-79.7116.1175.1-59.1-173.2000109.3F166 A169 H170 A398 E401 L402 G410 V411 E412F166-L408 HydrophobicContact CE2-CD1 3.88Å; F166-L408 HydrophobicContact CZ-CD1 4.38Å; A169-L408 HydrophobicContact CB-CB 4.34Å; A169-L408 HydrophobicContact CB-CD1 4.02Å; A169-L408 CarbonylContact O-C 3.53Å; H170-L408 HydrophobicContact CB-CD2 3.94Å; A398-L408 HydrophobicContact CB-CD1 4.29Å; E401-L408 HydrophobicContact CB-CD2 3.87Å; L402-L408 HydrophobicContact CB-CD1 4.07Å; L402-L408 HydrophobicContact CB-CD2 4.39Å; L402-L408 HydrophobicContact CB-CG 4.29Å; L402-L408 HydrophobicContact CD1-CD1 4.27Å; L402-L408 HydrophobicContact CD1-CG 4.19Å; L402-L408 HydrophobicContact CD2-CD1 4.18Å; L402-L408 HydrophobicContact CG-CD1 4.42Å; L408-G410 VanDerWaalsContact C-N 3.27Å; L408-G410 PolarHBondContact O-N 3.39Å; L408-V411 HydrophobicContact CB-CB 4.07Å; L408-V411 HydrophobicContact CB-CG2 3.75Å; L408-V411 HydrophobicContact CD1-CG2 3.97Å; L408-V411 HydrophobicContact CG-CG2 4.45Å; L408-V411 PolarHBondContact O-N 2.88Å; L408-E412 PolarHBondContact O-N 2.78Å
409P97.3Very high94.4Very high32 Ų3242.6 Ų42.621%0.20824%0.24CC..Hα-helixtrans-55.7-39.6-175.4-27.635.4000113.8A169 A172 V177 V407 V411 E412 A413A169-P409 WeakPolarHBondContact O-CD 3.31Å; A172-P409 HydrophobicContact CB-CB 3.97Å; A172-P409 HydrophobicContact CB-CG 4.17Å; V177-P409 HydrophobicContact CG1-CB 3.83Å; V407-P409 WeakPolarHBondContact O-CD 3.35Å; P409-V411 VanDerWaalsContact C-N 3.28Å; P409-V411 PolarHBondContact O-N 3.36Å; P409-E412 PolarHBondContact O-N 2.94Å; P409-A413 WeakPolarHBondContact O-CB 3.48Å; P409-A413 PolarHBondContact O-N 2.69Å
410G97Very high94.5Very high0 Ų045 Ų450%025%0.253CS..Hα-helixtrans-70-20.9178.800000114.3N163 A169 L408N163-G410 PolarHBondContact ND2-O 2.87Å; A169-G410 PolarHBondContact O-N 2.87Å; L408-G410 VanDerWaalsContact C-N 3.27Å; L408-G410 PolarHBondContact O-N 3.39Å
411V96.5Very high94.7Very high3 Ų345.1 Ų45.12%0.01825%0.254CS..Hα-helixtrans-86.6-41.2172.3-179.60000110L3 K6 A169 M190 L194 L408 P409 A413 L414L3-V411 HydrophobicContact CD2-CG1 4.39Å; K6-V411 WeakPolarHBondContact CE-O 3.37Å; K6-V411 HydrophobicContact CG-CG1 4.27Å; K6-V411 PolarHBondContact NZ-O 2.94Å; A169-V411 HydrophobicContact CB-CG2 4.13Å; M190-V411 HydrophobicContact SD-CG2 4.14Å; L194-V411 HydrophobicContact CD1-CG1 4.05Å; L194-V411 HydrophobicContact CD2-CG1 3.79Å; L194-V411 HydrophobicContact CD2-CG2 3.84Å; L408-V411 HydrophobicContact CB-CB 4.07Å; L408-V411 HydrophobicContact CB-CG2 3.75Å; L408-V411 HydrophobicContact CD1-CG2 3.97Å; L408-V411 HydrophobicContact CG-CG2 4.45Å; L408-V411 PolarHBondContact O-N 2.88Å; P409-V411 VanDerWaalsContact C-N 3.28Å; P409-V411 PolarHBondContact O-N 3.36Å; V411-A413 VanDerWaalsContact C-N 3.27Å; V411-A413 PolarHBondContact O-N 3.48Å; V411-L414 WeakPolarHBondContact O-CB 3.4Å; V411-L414 PolarHBondContact O-N 3.42Å; V411-L414 VanDerWaalsContact O-N 3.1Å
412E96.7Very high94.8Very high107 Ų10744.8 Ų44.850%0.526%0.255SS..Hα-helixtrans-57.7-41.3176.2172.6160.8-119.700112.1M1 K6 V407 L408 P409 L414M1-E412 HydrophobicContact CE-CB 3.66Å; M1-E412 HydrophobicContact CE-CG 3.52Å; M1-E412 HydrophobicContact SD-CB 4.24Å; K6-E412 PolarHBondContact NZ-O 3.33Å; V407-E412 HydrophobicContact CG1-CB 3.79Å; V407-E412 HydrophobicContact CG1-CG 4.33Å; L408-E412 PolarHBondContact O-N 2.78Å; P409-E412 PolarHBondContact O-N 2.94Å; E412-L414 PolarHBondContact O-N 3.11Å; E412-L414 VanDerWaalsContact O-N 3.14Å
413A97Very high94.9Very high26 Ų2647.1 Ų47.122%0.21527%0.269CS..THydrogen-bonded Turntrans-64.5-12.6177.700000114.7V177 K184 P409 V411V177-A413 HydrophobicContact CB-CB 4.18Å; V177-A413 HydrophobicContact CG1-CB 4.18Å; K184-A413 VanDerWaalsContact CD-O 3.23Å; K184-A413 WeakPolarHBondContact CD-O 3.18Å; P409-A413 WeakPolarHBondContact O-CB 3.48Å; P409-A413 PolarHBondContact O-N 2.69Å; V411-A413 VanDerWaalsContact C-N 3.27Å; V411-A413 PolarHBondContact O-N 3.48Å
414L97.8Very high95.1Very high7 Ų750.4 Ų50.44%0.03729%0.288CS..SBendtrans-75.4143.9176-60.7179.1000111.6K6 Y161 N163 K184 V411 E412K6-L414 HydrophobicContact CD-CB 4.1Å; K6-L414 PolarHBondContact NZ-O 3.48Å; Y161-L414 HydrophobicContact CE1-CD2 4.17Å; N163-L414 HydrophobicContact CB-CD2 3.87Å; K184-L414 HydrophobicContact CB-CD2 4.32Å; V411-L414 WeakPolarHBondContact O-CB 3.4Å; V411-L414 PolarHBondContact O-N 3.42Å; V411-L414 VanDerWaalsContact O-N 3.1Å; E412-L414 PolarHBondContact O-N 3.11Å; E412-L414 VanDerWaalsContact O-N 3.14Å
415S97.5Very high95.2Very high31 Ų3152.5 Ų52.522%0.21730%0.302CS..PPolyproline II helixtrans-58.8146.8170.9-57.10000110L7 K184L7-S415 WeakPolarHBondContact CB-O 3.12Å; L7-S415 PolarHBondContact N-O 3.38Å; K184-S415 PolarHBondContact N-OG 3.48Å; K184-S415 PolarHBondContact O-N 2.96Å
416N94.8Very high95.5Very high103 Ų10352.8 Ų52.855%0.55129%0.286SS*.BIsolated β-bridgetrans-84.1160.3167.2-59.1-36.2000109.5K5 K6K5-N416 CarbonylContact O-C 3.58Å; K5-N416 VanDerWaalsContact O-CA 3.32Å; K5-N416 WeakPolarHBondContact O-CA 3.33Å; K6-N416 WeakPolarHBondContact CD-OD1 3.42Å; K6-N416 PolarHBondContact NZ-OD1 3.5Å
417L88.6Confident95.7Very high150 Ų15049.2 Ų49.279%0.78528%0.275SS*.  trans-67.40167.4-72.3170.1000112.4K5 L7 K11K5-L417 PolarHBondContact O-N 2.66Å; L7-L417 HydrophobicContact CD1-CD2 3.82Å; K11-L417 HydrophobicContact CB-CD2 4Å; K11-L417 HydrophobicContact CG-CD2 4.11Å

Retrieved 417 of 417 residues in 183.8 ms (Link to these results)

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