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S-adenosylmethionine decarboxylase proenzyme

Essential for biosynthesis of the polyamines spermidine and spermine. Promotes maintenance and self-renewal of embryonic stem cells, by maintaining spermine levels.

AlphaFold DB (A0A4W5MVP3), UniProt , Accession A0A060WIJ4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 335 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
1M35.7Very low67.1Low243 Ų243107.5 Ų107.5100%1.19758%0.579SS**  093.90-77.6174176.200104.8E3M1-E3 PolarHBondContact O-N 3.03Å
2E35.3Very low69.6Low188 Ų18898.5 Ų98.588%0.87953%0.531SS*.  trans-64.4120.7173.4-73.8169.1160.600106.7N4E2-N4 PolarHBondContact O-N 2.83Å
3E40.1Very low71.8Confident189 Ų18991.4 Ų91.488%0.88349%0.492SS*.  trans-58.3108.1163.4-80.1-179.6151.800106.2M1 G5M1-E3 PolarHBondContact O-N 3.03Å; E3-G5 PolarHBondContact O-N 2.87Å
4N40.1Very low73.7Confident164 Ų16484.9 Ų84.988%0.87746%0.457SS*.  trans-58.989157.9-98.2-7.7000105.9E2 A6E2-N4 PolarHBondContact O-N 2.83Å; N4-A6 PolarHBondContact O-N 2.98Å
5G49.7Very low75.4Confident68 Ų6879.9 Ų79.970%0.70143%0.43SS*.  trans-55.3114.3178.400000108.2E3 H7E3-G5 PolarHBondContact O-N 2.87Å; G5-H7 PolarHBondContact O-N 2.74Å; G5-H7 VanDerWaalsContact O-N 3.17Å
6A63.5Low76.9Confident88 Ų8874.9 Ų74.973%0.72740%0.403SS*.  trans-57.1122.7176.600000108.6N4 F8N4-A6 PolarHBondContact O-N 2.98Å; A6-F8 PolarHBondContact O-N 2.95Å
7H88Confident78.1Confident142 Ų14271.1 Ų71.166%0.65738%0.382SS*.  trans-49.7131.9175.9178.4-97.4000110.1G5 E247 F250G5-H7 PolarHBondContact O-N 2.74Å; G5-H7 VanDerWaalsContact O-N 3.17Å; H7-E247 IonicContact CE1-OE1 2.6Å; H7-E247 PolarHBondContact CE1-OE1 3.01Å; H7-F250 AromaticContact ND1-CZ 3.71Å; H7-F250 VanDerWaalsContact O-CE1 3.27Å; H7-F250 WeakPolarHBondContact O-CE1 3.49Å
8F94.6Very high79.3Confident40 Ų4067.1 Ų67.118%0.17536%0.361CS..  trans-149.2135.5178.6171.6-95.1000110.1A6 E10 M118 K119 H122 F250A6-F8 PolarHBondContact O-N 2.95Å; F8-E10 HydrophobicContact CE1-CB 3.92Å; F8-E10 HydrophobicContact CZ-CB 4.13Å; F8-E10 WeakPolarHBondContact CZ-OE2 3.47Å; F8-M118 HydrophobicContact CE2-CB 4.18Å; F8-M118 HydrophobicContact CZ-CB 4.02Å; F8-K119 HydrophobicContact CD1-CB 4.47Å; F8-K119 HydrophobicContact CD1-CD 3.77Å; F8-K119 HydrophobicContact CD1-CG 4.37Å; F8-K119 HydrophobicContact CD2-CD 3.92Å; F8-K119 HydrophobicContact CD2-CG 4.39Å; F8-K119 HydrophobicContact CE1-CB 3.73Å; F8-K119 HydrophobicContact CE1-CD 3.79Å; F8-K119 HydrophobicContact CE1-CG 3.88Å; F8-K119 HydrophobicContact CE2-CD 3.95Å; F8-K119 HydrophobicContact CE2-CG 3.91Å; F8-K119 HydrophobicContact CG-CD 3.83Å; F8-K119 HydrophobicContact CZ-CB 3.79Å; F8-K119 HydrophobicContact CZ-CD 3.89Å; F8-K119 HydrophobicContact CZ-CG 3.63Å; F8-H122 AromaticContact CD1-CE1 3.97Å; F8-H122 AromaticContact CD1-ND1 3.59Å; F8-F250 HydrophobicContact CB-CE1 4.46Å; F8-F250 HydrophobicContact CD2-CB 3.96Å; F8-F250 AromaticContact CD2-CD1 3.67Å; F8-F250 HydrophobicContact CD2-CD1 3.67Å; F8-F250 HydrophobicContact CD2-CE1 4.36Å; F8-F250 AromaticContact CD2-CG 3.8Å; F8-F250 HydrophobicContact CD2-CG 3.8Å; F8-F250 HydrophobicContact CE2-CB 3.77Å; F8-F250 HydrophobicContact CE2-CD1 4.37Å; F8-F250 HydrophobicContact CE2-CG 4.06Å
9F96.1Very high80.2Confident53 Ų5365.9 Ų65.923%0.23235%0.351CS..  trans-126133.5172-178.8-93.6000109.7G11 E67 C82 T245 F250F9-G11 PolarHBondContact O-N 3.34Å; F9-E67 VanDerWaalsContact CE2-OE2 3.24Å; F9-E67 WeakPolarHBondContact CE2-OE2 3.47Å; F9-E67 WeakPolarHBondContact CZ-OE2 3.48Å; F9-C82 HydrophobicContact CE1-CB 4.39Å; F9-C82 HydrophobicContact CZ-CB 4.31Å; F9-T245 HydrophobicContact CD1-CG2 3.8Å; F9-F250 HydrophobicContact CB-CD2 4.39Å; F9-F250 HydrophobicContact CB-CE2 3.79Å; F9-F250 HydrophobicContact CB-CZ 4.46Å; F9-F250 VanDerWaalsContact O-CD2 3.27Å; F9-F250 WeakPolarHBondContact O-CD2 3.37Å
10E97.8Very high81Confident5 Ų562.8 Ų62.82%0.02333%0.334CS..  trans-85.394.2176.8-174.268.6-116.900109.5F8 T12 G83 F117 M118 K119F8-E10 HydrophobicContact CE1-CB 3.92Å; F8-E10 HydrophobicContact CZ-CB 4.13Å; F8-E10 WeakPolarHBondContact CZ-OE2 3.47Å; E10-T12 PolarHBondContact O-N 3.13Å; E10-T12 WeakPolarHBondContact OE1-CB 3.37Å; E10-T12 PolarHBondContact OE1-OG1 3.03Å; E10-G83 WeakPolarHBondContact O-CA 2.99Å; E10-G83 PolarHBondContact O-N 3.04Å; E10-F117 HydrophobicContact CG-CB 4.49Å; E10-F117 HydrophobicContact CG-CD1 3.79Å; E10-F117 HydrophobicContact CG-CE1 4.49Å; E10-F117 HydrophobicContact CG-CG 4.48Å; E10-M118 VanDerWaalsContact CD-N 3.33Å; E10-M118 PolarHBondContact OE1-N 3.4Å; E10-M118 PolarHBondContact OE2-N 3.31Å; E10-K119 PolarHBondContact OE2-N 2.94Å
11G96.8Very high81.6Confident2 Ų261 Ų612%0.02133%0.327CS..  trans-67.1-21.1175.500000113.7F9 E13 T245 Y252F9-G11 PolarHBondContact O-N 3.34Å; G11-E13 PolarHBondContact O-N 3.35Å; G11-T245 WeakPolarHBondContact CA-OG1 3.37Å; G11-Y252 WeakPolarHBondContact O-CD1 3.41Å; G11-Y252 WeakPolarHBondContact O-CE1 3.4Å
12T97.6Very high84.3Confident0 Ų052.4 Ų52.40%028%0.281CS..PPolyproline II helixtrans-64124.6177.6-51.20000111.1E10 K115 F117E10-T12 PolarHBondContact O-N 3.13Å; E10-T12 WeakPolarHBondContact OE1-CB 3.37Å; E10-T12 PolarHBondContact OE1-OG1 3.03Å; T12-K115 HydrophobicContact CG2-CB 3.8Å; T12-F117 HydrophobicContact CG2-CD1 4.03Å; T12-F117 HydrophobicContact CG2-CE1 4.43Å
13E98.1Very high86.6Confident6 Ų651.7 Ų51.73%0.02828%0.277CS..PPolyproline II helixtrans-91.1159-172.8-64.7149.1130.300113.8G11 S68 K80 T81 C82 R114 H243 S254G11-E13 PolarHBondContact O-N 3.35Å; E13-S68 PolarHBondContact OE1-OG 2.97Å; E13-K80 HydrophobicContact CB-CD 4.12Å; E13-K80 HydrophobicContact CB-CG 3.7Å; E13-K80 VanDerWaalsContact CD-CD 3.49Å; E13-K80 HydrophobicContact CG-CD 4.23Å; E13-K80 HydrophobicContact CG-CG 3.96Å; E13-K80 WeakPolarHBondContact OE1-CD 3.25Å; E13-K80 WeakPolarHBondContact OE2-CE 3.48Å; E13-K80 IonicContact OE2-NZ 3.61Å; E13-K80 PolarHBondContact OE2-NZ 3.3Å; E13-T81 CarbonylContact C-O 3.49Å; E13-T81 WeakPolarHBondContact CA-O 3.34Å; E13-C82 HydrophobicContact CG-CB 3.9Å; E13-R114 WeakPolarHBondContact O-CB 3.29Å; E13-H243 WeakPolarHBondContact OE1-CB 3.15Å; E13-H243 IonicContact OE1-CD2 3.16Å; E13-H243 PolarHBondContact OE1-CD2 3.48Å; E13-H243 IonicContact OE1-CG 3.1Å; E13-H243 VanDerWaalsContact OE1-CG 3.26Å; E13-H243 IonicContact OE1-NE2 2.86Å; E13-S254 PolarHBondContact OE1-OG 3.49Å; E13-S254 WeakPolarHBondContact OE2-CB 3.36Å; E13-S254 PolarHBondContact OE2-OG 3.3Å
14K98.7Very high88.7Confident0 Ų045.3 Ų45.30%025%0.25CC..EExtended strand (participates in β ladder)trans-101.2131.3162.2-54.4174.6-174.181.80107.1K80 T81 G83 T85 L87 Y112 F117 Q123K14-K80 WeakPolarHBondContact O-CA 3.28Å; K14-T81 PolarHBondContact N-O 3.25Å; K14-T81 PolarHBondContact O-N 3.15Å; K14-G83 PolarHBondContact NZ-O 3.28Å; K14-T85 VanDerWaalsContact CE-O 3.22Å; K14-T85 WeakPolarHBondContact CE-O 3.34Å; K14-T85 PolarHBondContact NZ-O 3.26Å; K14-L87 HydrophobicContact CB-CB 4.03Å; K14-L87 HydrophobicContact CB-CD1 3.83Å; K14-L87 HydrophobicContact CB-CG 4.42Å; K14-L87 HydrophobicContact CD-CB 3.96Å; K14-L87 VanDerWaalsContact O-CD1 3.28Å; K14-L87 WeakPolarHBondContact O-CD1 3.47Å; K14-Y112 HydrophobicContact CB-CE2 4.23Å; K14-F117 HydrophobicContact CD-CZ 4.5Å; K14-F117 HydrophobicContact CG-CE1 4.29Å; K14-F117 HydrophobicContact CG-CZ 4.04Å; K14-Q123 VanDerWaalsContact CE-OE1 3.31Å
15L98.9Very high90.7Very high10 Ų1044.4 Ų44.45%0.05224%0.24CC..EExtended strand (participates in β ladder)trans-121.9124.6-177.9177.561.5000110.1I78 K80 Y112 S113L15-I78 HydrophobicContact CD1-CG2 3.68Å; L15-K80 HydrophobicContact CB-CG 4.49Å; L15-K80 HydrophobicContact CD1-CB 3.99Å; L15-K80 HydrophobicContact CD1-CD 4.16Å; L15-K80 HydrophobicContact CD1-CG 4.13Å; L15-Y112 CarbonylContact O-C 3.58Å; L15-Y112 WeakPolarHBondContact O-CA 3.31Å; L15-Y112 WeakPolarHBondContact O-CD2 3.34Å; L15-S113 PolarHBondContact N-O 3.01Å; L15-S113 PolarHBondContact O-N 3.09Å
16L98.8Very high92.2Very high0 Ų048.4 Ų48.40%025%0.245CC..EExtended strand (participates in β ladder)trans-117.5123.7171.9173.967.5000109.3V18 I78 L79 L87 L91 L94 F110 F111L16-V18 HydrophobicContact CD1-CG2 3.71Å; L16-V18 HydrophobicContact CD2-CG2 4.32Å; L16-V18 HydrophobicContact CG-CG2 3.9Å; L16-I78 CarbonylContact O-C 3.56Å; L16-I78 VanDerWaalsContact O-CA 3.31Å; L16-I78 WeakPolarHBondContact O-CA 3.44Å; L16-L79 PolarHBondContact N-O 2.77Å; L16-L79 PolarHBondContact O-N 3.31Å; L16-L87 HydrophobicContact CB-CD1 4.23Å; L16-L87 HydrophobicContact CB-CD2 3.55Å; L16-L87 HydrophobicContact CB-CG 4.39Å; L16-L87 HydrophobicContact CD2-CD2 4.15Å; L16-L87 HydrophobicContact CG-CD2 4.39Å; L16-L91 HydrophobicContact CD1-CD1 4.47Å; L16-L91 HydrophobicContact CD2-CD1 4.25Å; L16-L94 HydrophobicContact CD2-CD2 4.19Å; L16-F110 HydrophobicContact CD1-CD2 4.26Å; L16-F110 HydrophobicContact CD1-CE1 4.5Å; L16-F110 HydrophobicContact CD1-CE2 3.42Å; L16-F110 VanDerWaalsContact CD1-CE2 3.42Å; L16-F110 HydrophobicContact CD1-CZ 3.55Å; L16-F111 WeakPolarHBondContact CA-O 3.27Å
17E98.7Very high93.1Very high10 Ų1049.8 Ų49.85%0.04724%0.235CC..EExtended strand (participates in β ladder)trans-125.1124.8171.4-179.4168.8162.400109.6W19 R76 F77 I78 F110 F111E17-W19 PolarHBondContact OE1-NE1 3.2Å; E17-R76 HydrophobicContact CG-CG 4.17Å; E17-R76 WeakPolarHBondContact OE1-CD 3.24Å; E17-R76 IonicContact OE1-NH1 2.83Å; E17-F77 WeakPolarHBondContact CA-O 3.34Å; E17-I78 HydrophobicContact CB-CG1 4.29Å; E17-I78 HydrophobicContact CG-CG1 3.91Å; E17-F110 WeakPolarHBondContact O-CA 3.32Å; E17-F111 HydrophobicContact CB-CB 4.43Å; E17-F111 PolarHBondContact N-O 3.23Å; E17-F111 PolarHBondContact O-N 3.29Å
18V98.4Very high93Very high0 Ų045.3 Ų45.30%023%0.227CC..EExtended strand (participates in β ladder)trans-129.8128.2-178.8-168.50000109.6L16 F20 R76 F77 L94 I107 F110L16-V18 HydrophobicContact CD1-CG2 3.71Å; L16-V18 HydrophobicContact CD2-CG2 4.32Å; L16-V18 HydrophobicContact CG-CG2 3.9Å; V18-F20 HydrophobicContact CB-CD2 4.47Å; V18-F20 HydrophobicContact CB-CE2 3.82Å; V18-F20 HydrophobicContact CB-CZ 4.11Å; V18-F20 HydrophobicContact CG1-CD1 4.5Å; V18-F20 HydrophobicContact CG1-CD2 4.1Å; V18-F20 HydrophobicContact CG1-CE1 4.07Å; V18-F20 HydrophobicContact CG1-CE2 3.64Å; V18-F20 HydrophobicContact CG1-CZ 3.62Å; V18-R76 WeakPolarHBondContact O-CA 3.41Å; V18-F77 PolarHBondContact N-O 2.63Å; V18-F77 PolarHBondContact O-N 3.1Å; V18-L94 HydrophobicContact CG2-CD2 4.27Å; V18-I107 HydrophobicContact CG1-CD1 4.38Å; V18-I107 HydrophobicContact CG1-CG1 4.41Å; V18-I107 HydrophobicContact CG1-CG2 4.21Å; V18-F110 HydrophobicContact CG1-CD2 4.35Å; V18-F110 HydrophobicContact CG2-CD2 3.77Å; V18-F110 HydrophobicContact CG2-CE2 3.98Å
19W96.9Very high93Very high44 Ų4446.8 Ų46.817%0.16724%0.24CC..EExtended strand (participates in β ladder)trans-104126.2169.8-6778.1000108.7E17 R75 R76 E108 N109E17-W19 PolarHBondContact OE1-NE1 3.2Å; W19-R75 CarbonylContact C-O 3.56Å; W19-R75 WeakPolarHBondContact CA-O 3.29Å; W19-R76 HydrophobicContact CD2-CB 3.84Å; W19-R76 HydrophobicContact CD2-CG 4.13Å; W19-R76 HydrophobicContact CE3-CB 3.87Å; W19-R76 HydrophobicContact CG-CB 4.47Å; W19-R76 HydrophobicContact CH2-CB 4.19Å; W19-R76 HydrophobicContact CZ2-CB 4.18Å; W19-R76 VanDerWaalsContact CZ2-CD 3.45Å; W19-R76 HydrophobicContact CZ2-CG 4.17Å; W19-R76 HydrophobicContact CZ3-CB 4.02Å; W19-E108 HydrophobicContact CB-CB 3.9Å; W19-E108 HydrophobicContact CB-CG 4.38Å; W19-E108 WeakPolarHBondContact O-CB 3.41Å; W19-E108 PolarHBondContact O-N 2.88Å; W19-N109 HydrophobicContact CB-CB 4.01Å; W19-N109 HydrophobicContact CG-CB 4.22Å; W19-N109 PolarHBondContact N-O 3.37Å; W19-N109 PolarHBondContact O-N 3.02Å
20F96.4Very high93Very high4 Ų444.4 Ų44.42%0.01823%0.229CC..EExtended strand (participates in β ladder)trans-103.1148.3-177.7-68-89.3000111.5V18 L32 R75 F77 L94 L95 A98 F104V18-F20 HydrophobicContact CB-CD2 4.47Å; V18-F20 HydrophobicContact CB-CE2 3.82Å; V18-F20 HydrophobicContact CB-CZ 4.11Å; V18-F20 HydrophobicContact CG1-CD1 4.5Å; V18-F20 HydrophobicContact CG1-CD2 4.1Å; V18-F20 HydrophobicContact CG1-CE1 4.07Å; V18-F20 HydrophobicContact CG1-CE2 3.64Å; V18-F20 HydrophobicContact CG1-CZ 3.62Å; F20-L32 HydrophobicContact CD2-CD1 3.83Å; F20-L32 HydrophobicContact CD2-CD2 4Å; F20-L32 HydrophobicContact CD2-CG 4.39Å; F20-L32 HydrophobicContact CE2-CD1 4.1Å; F20-L32 HydrophobicContact CE2-CD2 4.15Å; F20-L32 HydrophobicContact CG-CD2 4.48Å; F20-R75 PolarHBondContact N-O 3.33Å; F20-R75 PolarHBondContact O-NE 2.71Å; F20-R75 PolarHBondContact O-NH2 2.98Å; F20-R75 VanDerWaalsContact O-NH2 3.11Å; F20-F77 HydrophobicContact CE2-CB 4.02Å; F20-L94 HydrophobicContact CZ-CD2 4.27Å; F20-L94 HydrophobicContact CZ-CG 4.1Å; F20-L95 HydrophobicContact CE1-CD2 3.68Å; F20-L95 HydrophobicContact CZ-CD2 4.04Å; F20-A98 HydrophobicContact CD1-CB 3.81Å; F20-A98 HydrophobicContact CE1-CB 3.43Å; F20-A98 VanDerWaalsContact CE1-CB 3.43Å; F20-A98 HydrophobicContact CE2-CB 4.43Å; F20-A98 HydrophobicContact CG-CB 4.44Å; F20-A98 HydrophobicContact CZ-CB 3.78Å; F20-F104 HydrophobicContact CB-CB 3.87Å; F20-F104 HydrophobicContact CB-CD1 3.85Å; F20-F104 HydrophobicContact CB-CD2 3.67Å; F20-F104 HydrophobicContact CB-CE1 4.29Å; F20-F104 HydrophobicContact CB-CE2 4.15Å; F20-F104 HydrophobicContact CB-CG 3.53Å; F20-F104 HydrophobicContact CB-CZ 4.42Å; F20-F104 HydrophobicContact CD1-CB 3.93Å; F20-F104 HydrophobicContact CD1-CD2 4.46Å; F20-F104 HydrophobicContact CD1-CG 4.39Å; F20-F104 HydrophobicContact CG-CB 4.23Å; F20-F104 HydrophobicContact CG-CD2 4.08Å; F20-F104 HydrophobicContact CG-CG 4.2Å
21S93.8Very high93Very high25 Ų2545.4 Ų45.418%0.17524%0.235CC..EExtended strand (participates in β ladder)trans-133.7166.2171.463.60000110.7F104 D105 A106S21-F104 WeakPolarHBondContact O-CA 3.44Å; S21-D105 PolarHBondContact O-N 3.41Å; S21-A106 PolarHBondContact N-O 2.82Å; S21-A106 PolarHBondContact O-N 3.29Å; S21-A106 VanDerWaalsContact O-O 3.1Å; S21-A106 VanDerWaalsContact OG-CB 3.32Å; S21-A106 WeakPolarHBondContact OG-CB 3.45Å; S21-A106 PolarHBondContact OG-O 3.42Å
22R91.9Very high93.1Very high62 Ų6245.3 Ų45.323%0.23423%0.234CC..  trans-138.8143.2174.364.2-176.8-178.5166.76.9110.2E25 K27 G28 G103 F104 D105R22-E25 PolarHBondContact NH1-O 3Å; R22-E25 VanDerWaalsContact NH1-O 3.12Å; R22-E25 PolarHBondContact NH2-O 2.82Å; R22-K27 PolarHBondContact NH1-O 2.7Å; R22-G28 PolarHBondContact NH1-O 3.43Å; R22-G103 WeakPolarHBondContact CB-O 3.38Å; R22-F104 HydrophobicContact CB-CD1 4.11Å; R22-F104 HydrophobicContact CG-CD1 4.43Å; R22-D105 VanDerWaalsContact CA-OD1 3.28Å; R22-D105 WeakPolarHBondContact CA-OD1 3.41Å
23Q84.6Confident93.1Very high173 Ų17348.5 Ų48.581%0.80825%0.246SC*.SBendtrans-81.9-39.2174-63.9-172.51.900112.4D105Q23-D105 PolarHBondContact N-OD1 3.26Å; Q23-D105 VanDerWaalsContact N-OD1 3.14Å
24D84.4Confident93.1Very high56 Ų5651.2 Ų51.230%0.29926%0.263SS..  trans-104.1108.7-178.6-174.4-3.4000110.8N26 K27D24-N26 PolarHBondContact O-N 3.46Å; D24-N26 WeakPolarHBondContact OD1-CB 3.24Å; D24-N26 PolarHBondContact OD1-N 3.26Å; D24-N26 PolarHBondContact OD1-ND2 3.18Å; D24-N26 VanDerWaalsContact OD1-ND2 3.11Å; D24-K27 HydrophobicContact CB-CD 4.13Å; D24-K27 HydrophobicContact CB-CG 4.17Å; D24-K27 PolarHBondContact O-N 3.23Å; D24-K27 WeakPolarHBondContact OD2-CE 3.44Å
25E81.8Confident93.1Very high145 Ų14551.4 Ų51.468%0.67826%0.264SS*.THydrogen-bonded Turntrans-67.9-13.4-179.6-64.6-165.7152.100114.3R22R22-E25 PolarHBondContact NH1-O 3Å; R22-E25 VanDerWaalsContact NH1-O 3.12Å; R22-E25 PolarHBondContact NH2-O 2.82Å
26N81.6Confident93Very high152 Ų15252.8 Ų52.881%0.81327%0.274SS*.THydrogen-bonded Turntrans-87.1-8.5178.5-54.1-66.2000113D24D24-N26 PolarHBondContact O-N 3.46Å; D24-N26 WeakPolarHBondContact OD1-CB 3.24Å; D24-N26 PolarHBondContact OD1-N 3.26Å; D24-N26 PolarHBondContact OD1-ND2 3.18Å; D24-N26 VanDerWaalsContact OD1-ND2 3.11Å
27K82.1Confident93Very high117 Ų11757.8 Ų57.851%0.50929%0.292SS..SBendtrans-93.3124.8176.7-71.7-177.6-173.7173.90111R22 D24R22-K27 PolarHBondContact NH1-O 2.7Å; D24-K27 HydrophobicContact CB-CD 4.13Å; D24-K27 HydrophobicContact CB-CG 4.17Å; D24-K27 PolarHBondContact O-N 3.23Å; D24-K27 WeakPolarHBondContact OD2-CE 3.44Å
28G86.2Confident93Very high47 Ų4762.3 Ų62.349%0.48531%0.312SS..SBendtrans62.3-174.9177.100000113.8R22 C102R22-G28 PolarHBondContact NH1-O 3.43Å; G28-C102 CarbonylContact C-O 3.59Å
29T94.4Very high92.9Very high72 Ų7263.6 Ų63.644%0.44232%0.318SS..  trans-77.1-22-17661.90000113.4D31 T34 Y101 C102T29-D31 PolarHBondContact O-N 3.15Å; T29-D31 PolarHBondContact OG1-N 3.14Å; T29-D31 PolarHBondContact OG1-O 3.15Å; T29-T34 WeakPolarHBondContact CB-OG1 3.38Å; T29-T34 HydrophobicContact CG2-CG2 3.88Å; T29-T34 WeakPolarHBondContact CG2-OG1 3.31Å; T29-T34 PolarHBondContact OG1-OG1 3.44Å; T29-Y101 PolarHBondContact OG1-O 3.39Å; T29-C102 PolarHBondContact N-O 3.24Å
30G96.1Very high93Very high2 Ų261.5 Ų61.52%0.02131%0.31CS..SBendtrans62.326.6-171.200000113.2K74 C102 F104G30-K74 WeakPolarHBondContact O-CE 3.35Å; G30-K74 WeakPolarHBondContact O-CG 3.38Å; G30-C102 WeakPolarHBondContact CA-O 3.39Å; G30-C102 PolarHBondContact N-O 2.62Å; G30-F104 WeakPolarHBondContact O-CZ 3.47Å
31D97.8Very high93.1Very high27 Ų2763.3 Ų63.314%0.14432%0.32CS..  trans-148.1110.5-175.9-166.7-28.9000111.4T29 R33 T34 K74 C102T29-D31 PolarHBondContact O-N 3.15Å; T29-D31 PolarHBondContact OG1-N 3.14Å; T29-D31 PolarHBondContact OG1-O 3.15Å; D31-R33 PolarHBondContact O-N 3.29Å; D31-R33 VanDerWaalsContact OD1-CB 3.24Å; D31-R33 WeakPolarHBondContact OD1-CB 3.42Å; D31-R33 WeakPolarHBondContact OD1-CG 3.23Å; D31-R33 IonicContact OD1-CZ 3.81Å; D31-R33 PolarHBondContact OD1-N 3.34Å; D31-R33 IonicContact OD1-NE 3.18Å; D31-R33 PolarHBondContact OD1-NE 3.08Å; D31-R33 IonicContact OD1-NH2 3.58Å; D31-R33 IonicContact OD2-CZ 2.66Å; D31-R33 IonicContact OD2-NE 2.71Å; D31-R33 PolarHBondContact OD2-NE 3.07Å; D31-R33 IonicContact OD2-NH2 3.78Å; D31-R33 PolarHBondContact OD2-NH2 2.83Å; D31-T34 HydrophobicContact CB-CG2 4.14Å; D31-T34 PolarHBondContact O-N 3.28Å; D31-T34 PolarHBondContact O-OG1 3.28Å; D31-K74 WeakPolarHBondContact CA-O 3.34Å; D31-K74 HydrophobicContact CB-CG 4.04Å; D31-K74 WeakPolarHBondContact OD1-CA 3.5Å; D31-C102 PolarHBondContact O-SG 2.78Å; D31-C102 VanDerWaalsContact O-SG 3.36Å
32L98.5Very high93.2Very high0 Ų067 Ų670%033%0.333CS..G310 helixtrans-57.6-25.4-179.2-61170000113.1F20 T34 I35 V72 S73 K74 F77 A98 F104F20-L32 HydrophobicContact CD2-CD1 3.83Å; F20-L32 HydrophobicContact CD2-CD2 4Å; F20-L32 HydrophobicContact CD2-CG 4.39Å; F20-L32 HydrophobicContact CE2-CD1 4.1Å; F20-L32 HydrophobicContact CE2-CD2 4.15Å; F20-L32 HydrophobicContact CG-CD2 4.48Å; L32-T34 PolarHBondContact O-N 3.05Å; L32-T34 VanDerWaalsContact O-N 3.16Å; L32-I35 HydrophobicContact CD2-CD1 4.2Å; L32-I35 WeakPolarHBondContact O-CB 3.28Å; L32-I35 WeakPolarHBondContact O-CG1 3.29Å; L32-I35 PolarHBondContact O-N 3.25Å; L32-I35 VanDerWaalsContact O-N 3.09Å; L32-V72 HydrophobicContact CB-CG1 3.57Å; L32-S73 WeakPolarHBondContact CB-O 3.48Å; L32-K74 PolarHBondContact N-O 3.07Å; L32-F77 HydrophobicContact CD1-CB 3.94Å; L32-A98 HydrophobicContact CD2-CB 3.92Å; L32-F104 HydrophobicContact CD2-CD2 3.72Å; L32-F104 HydrophobicContact CD2-CE2 3.65Å; L32-F104 HydrophobicContact CG-CD2 4.34Å; L32-F104 HydrophobicContact CG-CE2 3.77Å
33R98.1Very high93.5Very high67 Ų6764.1 Ų64.125%0.25332%0.322SS..G310 helixtrans-69.8-10.2-178.8-56.2171.3-67173.32.4112.6D31 I35 D58 K59 E61 V72D31-R33 PolarHBondContact O-N 3.29Å; D31-R33 VanDerWaalsContact OD1-CB 3.24Å; D31-R33 WeakPolarHBondContact OD1-CB 3.42Å; D31-R33 WeakPolarHBondContact OD1-CG 3.23Å; D31-R33 IonicContact OD1-CZ 3.81Å; D31-R33 PolarHBondContact OD1-N 3.34Å; D31-R33 IonicContact OD1-NE 3.18Å; D31-R33 PolarHBondContact OD1-NE 3.08Å; D31-R33 IonicContact OD1-NH2 3.58Å; D31-R33 IonicContact OD2-CZ 2.66Å; D31-R33 IonicContact OD2-NE 2.71Å; D31-R33 PolarHBondContact OD2-NE 3.07Å; D31-R33 IonicContact OD2-NH2 3.78Å; D31-R33 PolarHBondContact OD2-NH2 2.83Å; R33-I35 VanDerWaalsContact C-N 3.32Å; R33-D58 PolarHBondContact NH1-O 2.79Å; R33-K59 PolarHBondContact NH1-O 3.2Å; R33-E61 HydrophobicContact CG-CG 4.22Å; R33-V72 HydrophobicContact CG-CG1 4.05Å
34T97.4Very high94Very high62 Ų6255.9 Ų55.938%0.3828%0.284SS..G310 helixtrans-82.5-10.7173.365.70000113.2T29 D31 L32 P36T29-T34 WeakPolarHBondContact CB-OG1 3.38Å; T29-T34 HydrophobicContact CG2-CG2 3.88Å; T29-T34 WeakPolarHBondContact CG2-OG1 3.31Å; T29-T34 PolarHBondContact OG1-OG1 3.44Å; D31-T34 HydrophobicContact CB-CG2 4.14Å; D31-T34 PolarHBondContact O-N 3.28Å; D31-T34 PolarHBondContact O-OG1 3.28Å; L32-T34 PolarHBondContact O-N 3.05Å; L32-T34 VanDerWaalsContact O-N 3.16Å; T34-P36 WeakPolarHBondContact O-CD 3.36Å
35I98.4Very high94.5Very high5 Ų558.7 Ų58.73%0.02630%0.295CS..SBendtrans-63.3124.4173.7-67.2166.4000108.3L32 R33 E39 W40 L97 Y101L32-I35 HydrophobicContact CD2-CD1 4.2Å; L32-I35 WeakPolarHBondContact O-CB 3.28Å; L32-I35 WeakPolarHBondContact O-CG1 3.29Å; L32-I35 PolarHBondContact O-N 3.25Å; L32-I35 VanDerWaalsContact O-N 3.09Å; R33-I35 VanDerWaalsContact C-N 3.32Å; I35-E39 HydrophobicContact CG2-CB 3.82Å; I35-E39 HydrophobicContact CG2-CG 4.41Å; I35-W40 HydrophobicContact CB-CH2 4.18Å; I35-W40 HydrophobicContact CB-CZ2 3.49Å; I35-W40 VanDerWaalsContact CB-CZ2 3.49Å; I35-W40 HydrophobicContact CD1-CH2 3.37Å; I35-W40 HydrophobicContact CD1-CZ2 3.48Å; I35-W40 VanDerWaalsContact CD1-CZ2 3.48Å; I35-W40 HydrophobicContact CD1-CZ3 4.34Å; I35-W40 HydrophobicContact CG1-CH2 4.35Å; I35-W40 HydrophobicContact CG1-CZ2 4.03Å; I35-W40 HydrophobicContact CG2-CD2 3.98Å; I35-W40 HydrophobicContact CG2-CE3 4.38Å; I35-W40 HydrophobicContact CG2-CH2 4.06Å; I35-W40 HydrophobicContact CG2-CZ2 3.63Å; I35-W40 HydrophobicContact CG2-CZ3 4.4Å; I35-W40 PolarHBondContact O-NE1 2.96Å; I35-L97 HydrophobicContact CD1-CB 4.11Å; I35-Y101 HydrophobicContact CG1-CD2 4.36Å; I35-Y101 HydrophobicContact CG1-CG 4.07Å
36P98Very high94.9Very high38 Ų3856.3 Ų56.325%0.24729%0.287CS..  trans-61.3145.7-177.8-24.934.5000112.5T34 F38 E39 W40 Y101T34-P36 WeakPolarHBondContact O-CD 3.36Å; P36-F38 HydrophobicContact CB-CD1 3.51Å; P36-F38 HydrophobicContact CB-CE1 3.23Å; P36-F38 HydrophobicContact CB-CG 4.39Å; P36-F38 HydrophobicContact CB-CZ 3.94Å; P36-F38 HydrophobicContact CG-CD1 4.5Å; P36-F38 HydrophobicContact CG-CE1 3.77Å; P36-F38 HydrophobicContact CG-CZ 4.12Å; P36-F38 PolarHBondContact O-N 3.21Å; P36-F38 VanDerWaalsContact O-N 3.13Å; P36-E39 HydrophobicContact CB-CG 4.46Å; P36-E39 WeakPolarHBondContact O-CB 3.48Å; P36-E39 PolarHBondContact O-N 2.9Å; P36-W40 PolarHBondContact O-N 3.4Å; P36-Y101 HydrophobicContact CG-CD1 4.35Å; P36-Y101 HydrophobicContact CG-CE1 3.65Å
37R97.6Very high95.3Very high105 Ų10549.1 Ų49.140%0.39625%0.249SC..Hα-helixtrans-49.8-41.3177.417058-166.6-85.4-7.6113.6E39 W40 D41 I51R37-E39 PolarHBondContact O-N 3.28Å; R37-W40 WeakPolarHBondContact O-CA 3.32Å; R37-W40 WeakPolarHBondContact O-CB 3.46Å; R37-W40 PolarHBondContact O-N 3.43Å; R37-D41 IonicContact CZ-OD1 2.8Å; R37-D41 VanDerWaalsContact CZ-OD1 3.24Å; R37-D41 IonicContact CZ-OD2 2.96Å; R37-D41 VanDerWaalsContact NE-CG 3.29Å; R37-D41 IonicContact NE-OD1 3.74Å; R37-D41 PolarHBondContact NE-OD1 2.66Å; R37-D41 IonicContact NE-OD2 2.68Å; R37-D41 PolarHBondContact NE-OD2 2.87Å; R37-D41 VanDerWaalsContact NE-OD2 3.09Å; R37-D41 IonicContact NH2-OD1 3.72Å; R37-D41 PolarHBondContact NH2-OD1 3.05Å; R37-D41 IonicContact NH2-OD2 3.38Å; R37-D41 PolarHBondContact O-N 2.65Å; R37-I51 VanDerWaalsContact NE-CD1 3.34Å
38F97.9Very high95.7Very high105 Ų10550.1 Ų50.146%0.46126%0.255SS..Hα-helixtrans-65.8-24.1-178.772.5-97.9000113.3P36 K42P36-F38 HydrophobicContact CB-CD1 3.51Å; P36-F38 HydrophobicContact CB-CE1 3.23Å; P36-F38 HydrophobicContact CB-CG 4.39Å; P36-F38 HydrophobicContact CB-CZ 3.94Å; P36-F38 HydrophobicContact CG-CD1 4.5Å; P36-F38 HydrophobicContact CG-CE1 3.77Å; P36-F38 HydrophobicContact CG-CZ 4.12Å; P36-F38 PolarHBondContact O-N 3.21Å; P36-F38 VanDerWaalsContact O-N 3.13Å; F38-K42 WeakPolarHBondContact O-CG 3.49Å; F38-K42 PolarHBondContact O-N 3.35Å; F38-K42 VanDerWaalsContact O-N 3.12Å
39E98.3Very high96Very high28 Ų2848 Ų4813%0.13123%0.232CC..Hα-helixtrans-75.2-35.5173.5-60.5-66.2-160.200110.8I35 P36 R37 K42 L43 L97 Y101I35-E39 HydrophobicContact CG2-CB 3.82Å; I35-E39 HydrophobicContact CG2-CG 4.41Å; P36-E39 HydrophobicContact CB-CG 4.46Å; P36-E39 WeakPolarHBondContact O-CB 3.48Å; P36-E39 PolarHBondContact O-N 2.9Å; R37-E39 PolarHBondContact O-N 3.28Å; E39-K42 PolarHBondContact O-N 2.74Å; E39-K42 IonicContact OE1-NZ 2.85Å; E39-K42 WeakPolarHBondContact OE2-CD 3.3Å; E39-K42 IonicContact OE2-NZ 3.29Å; E39-K42 PolarHBondContact OE2-NZ 3.17Å; E39-L43 WeakPolarHBondContact O-CB 3.46Å; E39-L43 PolarHBondContact O-N 3.08Å; E39-L97 HydrophobicContact CB-CD1 4.1Å; E39-L97 HydrophobicContact CB-CD2 3.87Å; E39-L97 HydrophobicContact CG-CD2 4.01Å; E39-Y101 HydrophobicContact CG-CE2 3.91Å; E39-Y101 WeakPolarHBondContact CG-OH 3.43Å; E39-Y101 PolarHBondContact OE1-OH 2.97Å
40W98.3Very high96Very high0 Ų049.4 Ų49.40%024%0.237CC..Hα-helixtrans-64.2-41.7170.4-61.1135.2000112.1I35 P36 R37 L43 L44 I51 M70 V72 F77 L94 L97I35-W40 HydrophobicContact CB-CH2 4.18Å; I35-W40 HydrophobicContact CB-CZ2 3.49Å; I35-W40 VanDerWaalsContact CB-CZ2 3.49Å; I35-W40 HydrophobicContact CD1-CH2 3.37Å; I35-W40 HydrophobicContact CD1-CZ2 3.48Å; I35-W40 VanDerWaalsContact CD1-CZ2 3.48Å; I35-W40 HydrophobicContact CD1-CZ3 4.34Å; I35-W40 HydrophobicContact CG1-CH2 4.35Å; I35-W40 HydrophobicContact CG1-CZ2 4.03Å; I35-W40 HydrophobicContact CG2-CD2 3.98Å; I35-W40 HydrophobicContact CG2-CE3 4.38Å; I35-W40 HydrophobicContact CG2-CH2 4.06Å; I35-W40 HydrophobicContact CG2-CZ2 3.63Å; I35-W40 HydrophobicContact CG2-CZ3 4.4Å; I35-W40 PolarHBondContact O-NE1 2.96Å; P36-W40 PolarHBondContact O-N 3.4Å; R37-W40 WeakPolarHBondContact O-CA 3.32Å; R37-W40 WeakPolarHBondContact O-CB 3.46Å; R37-W40 PolarHBondContact O-N 3.43Å; W40-L43 HydrophobicContact CE3-CD1 4.41Å; W40-L43 HydrophobicContact CZ3-CD1 4.25Å; W40-L43 PolarHBondContact O-N 3.37Å; W40-L44 WeakPolarHBondContact O-CB 3.4Å; W40-L44 VanDerWaalsContact O-CG 3.27Å; W40-L44 WeakPolarHBondContact O-CG 3.26Å; W40-L44 PolarHBondContact O-N 2.97Å; W40-I51 HydrophobicContact CB-CD1 4.05Å; W40-M70 HydrophobicContact CB-CE 4.15Å; W40-M70 HydrophobicContact CD2-CE 4.27Å; W40-M70 HydrophobicContact CE3-SD 4.49Å; W40-M70 HydrophobicContact CG-CE 4.06Å; W40-V72 HydrophobicContact CZ2-CG1 4.1Å; W40-V72 HydrophobicContact CZ2-CG2 4.2Å; W40-F77 HydrophobicContact CE3-CE2 4.4Å; W40-F77 HydrophobicContact CH2-CD2 4.16Å; W40-F77 AromaticContact CH2-CE2 4Å; W40-F77 HydrophobicContact CH2-CE2 4Å; W40-F77 HydrophobicContact CZ3-CD2 4.39Å; W40-F77 AromaticContact CZ3-CE2 3.79Å; W40-F77 HydrophobicContact CZ3-CE2 3.79Å; W40-L94 HydrophobicContact CH2-CD1 4.11Å; W40-L94 HydrophobicContact CZ3-CD1 3.9Å; W40-L97 HydrophobicContact CE3-CD1 4.4Å; W40-L97 HydrophobicContact CZ3-CD1 4.18Å
41D97.4Very high96.1Very high42 Ų4250.1 Ų50.123%0.22524%0.24CC..Hα-helixtrans-58.5-49.3174.9-65-46.8000110.7R37 L43 L44 E45R37-D41 IonicContact CZ-OD1 2.8Å; R37-D41 VanDerWaalsContact CZ-OD1 3.24Å; R37-D41 IonicContact CZ-OD2 2.96Å; R37-D41 VanDerWaalsContact NE-CG 3.29Å; R37-D41 IonicContact NE-OD1 3.74Å; R37-D41 PolarHBondContact NE-OD1 2.66Å; R37-D41 IonicContact NE-OD2 2.68Å; R37-D41 PolarHBondContact NE-OD2 2.87Å; R37-D41 VanDerWaalsContact NE-OD2 3.09Å; R37-D41 IonicContact NH2-OD1 3.72Å; R37-D41 PolarHBondContact NH2-OD1 3.05Å; R37-D41 IonicContact NH2-OD2 3.38Å; R37-D41 PolarHBondContact O-N 2.65Å; D41-L43 PolarHBondContact O-N 3.3Å; D41-L44 PolarHBondContact O-N 3.09Å; D41-E45 WeakPolarHBondContact O-CB 3.4Å; D41-E45 WeakPolarHBondContact O-CG 3.24Å; D41-E45 PolarHBondContact O-N 2.97Å
42K97.2Very high96.1Very high101 Ų10152.7 Ų52.744%0.43925%0.253SS..Hα-helixtrans-60.6-44.1176.8-70.6177.7-158.4156.90113.2F38 E39 L44 E45 N46F38-K42 WeakPolarHBondContact O-CG 3.49Å; F38-K42 PolarHBondContact O-N 3.35Å; F38-K42 VanDerWaalsContact O-N 3.12Å; E39-K42 PolarHBondContact O-N 2.74Å; E39-K42 IonicContact OE1-NZ 2.85Å; E39-K42 WeakPolarHBondContact OE2-CD 3.3Å; E39-K42 IonicContact OE2-NZ 3.29Å; E39-K42 PolarHBondContact OE2-NZ 3.17Å; K42-L44 VanDerWaalsContact C-N 3.3Å; K42-L44 PolarHBondContact O-N 3.48Å; K42-E45 PolarHBondContact O-N 3.48Å; K42-N46 VanDerWaalsContact O-CG 3.27Å; K42-N46 PolarHBondContact O-N 2.94Å; K42-N46 PolarHBondContact O-ND2 2.95Å
43L97.1Very high96Very high3 Ų354 Ų542%0.01626%0.262CS..Hα-helixtrans-61.6-41.6-179.9178.2146.9000111.1E39 W40 D41 A90 P93 L94 L97E39-L43 WeakPolarHBondContact O-CB 3.46Å; E39-L43 PolarHBondContact O-N 3.08Å; W40-L43 HydrophobicContact CE3-CD1 4.41Å; W40-L43 HydrophobicContact CZ3-CD1 4.25Å; W40-L43 PolarHBondContact O-N 3.37Å; D41-L43 PolarHBondContact O-N 3.3Å; L43-A90 HydrophobicContact CD2-CB 3.95Å; L43-A90 HydrophobicContact CG-CB 4.22Å; L43-P93 HydrophobicContact CD1-CB 4.31Å; L43-L94 HydrophobicContact CD1-CB 3.93Å; L43-L97 HydrophobicContact CB-CD1 4.39Å; L43-L97 HydrophobicContact CD1-CD1 3.78Å
44L96.4Very high96Very high0 Ų053.3 Ų53.30%027%0.265CS..Hα-helixtrans-76.8-35.9-179-67.8169.1000112.3W40 D41 K42 N46 V47 H48 C49 I51 L65 M70 L79W40-L44 WeakPolarHBondContact O-CB 3.4Å; W40-L44 VanDerWaalsContact O-CG 3.27Å; W40-L44 WeakPolarHBondContact O-CG 3.26Å; W40-L44 PolarHBondContact O-N 2.97Å; D41-L44 PolarHBondContact O-N 3.09Å; K42-L44 VanDerWaalsContact C-N 3.3Å; K42-L44 PolarHBondContact O-N 3.48Å; L44-N46 PolarHBondContact O-N 3.14Å; L44-V47 CarbonylContact O-C 3.59Å; L44-V47 VanDerWaalsContact O-CG2 3.29Å; L44-V47 WeakPolarHBondContact O-CG2 3.35Å; L44-V47 PolarHBondContact O-N 2.95Å; L44-H48 PolarHBondContact O-N 3.38Å; L44-C49 CarbonylContact C-O 3.49Å; L44-C49 HydrophobicContact CB-CB 4.22Å; L44-C49 WeakPolarHBondContact CB-O 3.31Å; L44-C49 HydrophobicContact CD2-CB 4.33Å; L44-C49 PolarHBondContact O-N 3.38Å; L44-C49 VanDerWaalsContact O-O 3.09Å; L44-I51 HydrophobicContact CD1-CD1 3.63Å; L44-I51 HydrophobicContact CD1-CG1 3.4Å; L44-I51 VanDerWaalsContact CD1-CG1 3.4Å; L44-L65 HydrophobicContact CD1-CD2 3.76Å; L44-L65 HydrophobicContact CD2-CD1 4.13Å; L44-M70 HydrophobicContact CD1-CE 4.18Å; L44-M70 HydrophobicContact CD1-SD 4.2Å; L44-M70 HydrophobicContact CD2-SD 4.39Å; L44-L79 HydrophobicContact CD2-CD1 3.77Å; L44-L79 HydrophobicContact CD2-CD2 4.42Å
45E93.7Very high96.1Very high114 Ų11451.9 Ų51.953%0.53326%0.256SS..Hα-helixtrans-57.4-38.4173-80.9177.3-171.700111.8D41 K42 V47 H48 C49 L50D41-E45 WeakPolarHBondContact O-CB 3.4Å; D41-E45 WeakPolarHBondContact O-CG 3.24Å; D41-E45 PolarHBondContact O-N 2.97Å; K42-E45 PolarHBondContact O-N 3.48Å; E45-V47 PolarHBondContact O-N 2.94Å; E45-H48 PolarHBondContact O-N 2.8Å; E45-H48 VanDerWaalsContact O-N 3.07Å; E45-C49 PolarHBondContact N-O 3.34Å; E45-L50 HydrophobicContact CG-CD2 4.05Å
46N90.1Very high96Very high96 Ų9657.5 Ų57.551%0.51328%0.281SS..THydrogen-bonded Turntrans-61.8-22.1176.5-70-21.6000113.7K42 L44K42-N46 VanDerWaalsContact O-CG 3.27Å; K42-N46 PolarHBondContact O-N 2.94Å; K42-N46 PolarHBondContact O-ND2 2.95Å; L44-N46 PolarHBondContact O-N 3.14Å
47V90.6Very high95.9Very high0 Ų057.3 Ų57.30%028%0.279CS..THydrogen-bonded Turntrans-113.422.2177.4-62.90000112.5L44 E45 C49 L86 Q89 A90L44-V47 CarbonylContact O-C 3.59Å; L44-V47 VanDerWaalsContact O-CG2 3.29Å; L44-V47 WeakPolarHBondContact O-CG2 3.35Å; L44-V47 PolarHBondContact O-N 2.95Å; E45-V47 PolarHBondContact O-N 2.94Å; V47-C49 VanDerWaalsContact C-N 3.33Å; V47-C49 HydrophobicContact CG2-CB 4.24Å; V47-C49 PolarHBondContact O-N 2.85Å; V47-L86 VanDerWaalsContact CG1-O 3.26Å; V47-L86 WeakPolarHBondContact CG1-O 3.4Å; V47-Q89 HydrophobicContact CG1-CB 4.25Å; V47-A90 HydrophobicContact CG1-CB 3.71Å; V47-A90 HydrophobicContact CG2-CB 4.41Å
48H89.7Confident95.8Very high139 Ų13960.1 Ų60.164%0.64430%0.301SS*.THydrogen-bonded Turntrans59.338.8177.3-55-54.7000114.1L44 E45L44-H48 PolarHBondContact O-N 3.38Å; E45-H48 PolarHBondContact O-N 2.8Å; E45-H48 VanDerWaalsContact O-N 3.07Å
49C92.6Very high95.8Very high1 Ų160.3 Ų60.31%0.00730%0.302CS..  trans-126.7143-177.7-157.70000110.6L44 E45 V47 L65L44-C49 CarbonylContact C-O 3.49Å; L44-C49 HydrophobicContact CB-CB 4.22Å; L44-C49 WeakPolarHBondContact CB-O 3.31Å; L44-C49 HydrophobicContact CD2-CB 4.33Å; L44-C49 PolarHBondContact O-N 3.38Å; L44-C49 VanDerWaalsContact O-O 3.09Å; E45-C49 PolarHBondContact N-O 3.34Å; V47-C49 VanDerWaalsContact C-N 3.33Å; V47-C49 HydrophobicContact CG2-CB 4.24Å; V47-C49 PolarHBondContact O-N 2.85Å; C49-L65 WeakPolarHBondContact SG-CB 3.39Å
50L95.5Very high95.7Very high102 Ų10259.2 Ų59.253%0.53430%0.297SS..  trans-125143.9-179.7-62.6174.5000110.5E45 L65 S66E45-L50 HydrophobicContact CG-CD2 4.05Å; L50-L65 CarbonylContact O-C 3.43Å; L50-L65 WeakPolarHBondContact O-CA 3.45Å; L50-S66 PolarHBondContact N-OG 2.89Å; L50-S66 PolarHBondContact O-N 2.85Å
51I97.5Very high95.7Very high18 Ų1860 Ų609%0.09230%0.3CS..EExtended strand (participates in β ladder)trans-79.8121.7172.4-66.7166.5000109.4R37 W40 L44 Y63 L65 M70R37-I51 VanDerWaalsContact NE-CD1 3.34Å; W40-I51 HydrophobicContact CB-CD1 4.05Å; L44-I51 HydrophobicContact CD1-CD1 3.63Å; L44-I51 HydrophobicContact CD1-CG1 3.4Å; L44-I51 VanDerWaalsContact CD1-CG1 3.4Å; I51-Y63 HydrophobicContact CD1-CD1 3.73Å; I51-Y63 HydrophobicContact CD1-CE1 4.07Å; I51-Y63 HydrophobicContact CG1-CD1 4.11Å; I51-Y63 HydrophobicContact CG2-CD1 3.79Å; I51-L65 HydrophobicContact CB-CD2 4.47Å; I51-L65 HydrophobicContact CG1-CD2 3.73Å; I51-M70 HydrophobicContact CD1-CE 4.4Å
52I97.4Very high95.8Very high80 Ų8058 Ų5841%0.4129%0.29SS..EExtended strand (participates in β ladder)trans-87.4-50.3176-57.5-176.6000110.6I64 L65 T221 F223I52-I64 HydrophobicContact CB-CG2 4.37Å; I52-I64 HydrophobicContact CD1-CG2 4.28Å; I52-I64 PolarHBondContact N-O 3.32Å; I52-L65 WeakPolarHBondContact CD1-O 3.28Å; I52-T221 HydrophobicContact CD1-CG2 4.11Å; I52-T221 HydrophobicContact CG2-CG2 4.25Å; I52-F223 HydrophobicContact CD1-CE1 3.48Å; I52-F223 VanDerWaalsContact CD1-CE1 3.48Å; I52-F223 HydrophobicContact CD1-CZ 3.67Å
53S97.9Very high95.8Very high27 Ų2753.3 Ų53.319%0.18927%0.27CS..EExtended strand (participates in β ladder)trans-147.1162-176.667.20000110.5Y63 I64 D219S53-Y63 WeakPolarHBondContact O-CA 3.1Å; S53-I64 PolarHBondContact N-O 2.88Å; S53-I64 PolarHBondContact O-N 2.86Å; S53-I64 WeakPolarHBondContact OG-CB 3.27Å; S53-I64 WeakPolarHBondContact OG-CD1 3.36Å; S53-I64 WeakPolarHBondContact OG-CG1 3.47Å; S53-D219 VanDerWaalsContact CB-OD2 3.3Å; S53-D219 WeakPolarHBondContact CB-OD2 3.28Å; S53-D219 VanDerWaalsContact OG-CG 3.23Å; S53-D219 PolarHBondContact OG-OD1 2.85Å; S53-D219 PolarHBondContact OG-OD2 2.6Å
54V98.1Very high95.9Very high54 Ų5453.2 Ų53.233%0.32727%0.269SS..EExtended strand (participates in β ladder)trans-138.7134.1175.860.10000109.5K56 A62 Y63V54-K56 HydrophobicContact CG2-CG 4.09Å; V54-A62 CarbonylContact C-O 3.56Å; V54-A62 WeakPolarHBondContact CA-O 3.31Å; V54-Y63 HydrophobicContact CB-CD1 3.71Å; V54-Y63 HydrophobicContact CB-CE1 3.74Å; V54-Y63 HydrophobicContact CB-CG 4.43Å; V54-Y63 HydrophobicContact CG2-CD1 3.64Å; V54-Y63 HydrophobicContact CG2-CD2 4.36Å; V54-Y63 HydrophobicContact CG2-CE1 3.36Å; V54-Y63 HydrophobicContact CG2-CE2 4.11Å; V54-Y63 HydrophobicContact CG2-CG 4.13Å
55T98Very high95.9Very high31 Ų3153.2 Ų53.219%0.1927%0.269CS..EExtended strand (participates in β ladder)trans-121.2138.3170.4-63.80000108.7A62 V217 D219 M233T55-A62 PolarHBondContact N-O 2.82Å; T55-A62 PolarHBondContact O-N 3.13Å; T55-V217 HydrophobicContact CG2-CG1 3.86Å; T55-D219 WeakPolarHBondContact OG1-CB 2.8Å; T55-D219 PolarHBondContact OG1-OD2 2.8Å; T55-D219 VanDerWaalsContact OG1-OD2 3.12Å; T55-M233 HydrophobicContact CG2-CE 3.49Å; T55-M233 VanDerWaalsContact CG2-CE 3.49Å; T55-M233 WeakPolarHBondContact O-CE 3.37Å
56K97.7Very high95.9Very high124 Ų12449.4 Ų49.454%0.53926%0.255SS..EExtended strand (participates in β ladder)trans-122.7146-175.7-56.4-169.6176.9-1530111.4V54 E61V54-K56 HydrophobicContact CG2-CG 4.09Å; K56-E61 HydrophobicContact CB-CG 4.42Å; K56-E61 HydrophobicContact CD-CG 4.08Å; K56-E61 WeakPolarHBondContact CD-OE1 3.36Å; K56-E61 WeakPolarHBondContact CE-OE1 3.35Å; K56-E61 HydrophobicContact CG-CB 4.25Å; K56-E61 HydrophobicContact CG-CG 3.94Å; K56-E61 IonicContact NZ-OE1 3.29Å; K56-E61 PolarHBondContact NZ-OE1 3.02Å; K56-E61 IonicContact NZ-OE2 3.98Å
57T96Very high95.8Very high34 Ų3447.3 Ų47.321%0.20924%0.242CC..  trans-129.9172168.565.40000109.1K59 Q60 M233T57-K59 PolarHBondContact O-N 2.97Å; T57-K59 VanDerWaalsContact O-N 3.09Å; T57-K59 PolarHBondContact OG1-N 3.35Å; T57-Q60 PolarHBondContact N-O 3.5Å; T57-Q60 PolarHBondContact OG1-N 3.4Å; T57-Q60 PolarHBondContact OG1-O 2.84Å; T57-M233 HydrophobicContact CG2-CB 4.03Å; T57-M233 HydrophobicContact CG2-CE 3.82Å; T57-M233 HydrophobicContact CG2-SD 4.07Å
58D95.7Very high95.8Very high163 Ų16347.4 Ų47.487%0.87224%0.243SC*.SBendtrans-61-20.9177.5-61.8-26.1000113.7R33R33-D58 PolarHBondContact NH1-O 2.79Å
59K96.1Very high96.3Very high109 Ų10940.9 Ų40.947%0.47421%0.213SC..SBendtrans-103.8-30.5-176.1-67.1-166.9179.2-165.70114.2R33 T57 T235 D236R33-K59 PolarHBondContact NH1-O 3.2Å; T57-K59 PolarHBondContact O-N 2.97Å; T57-K59 VanDerWaalsContact O-N 3.09Å; T57-K59 PolarHBondContact OG1-N 3.35Å; K59-T235 WeakPolarHBondContact CE-O 3.21Å; K59-D236 PolarHBondContact NZ-O 3.38Å
60Q96.8Very high96.6Very high5 Ų540.8 Ų40.82%0.02321%0.212CC..EExtended strand (participates in β ladder)trans-160.1158.2-171.864.8-171.727.600112.3T57 V72 M233 G237 T238T57-Q60 PolarHBondContact N-O 3.5Å; T57-Q60 PolarHBondContact OG1-N 3.4Å; T57-Q60 PolarHBondContact OG1-O 2.84Å; Q60-V72 CarbonylContact C-O 3.48Å; Q60-V72 WeakPolarHBondContact CA-O 3.26Å; Q60-M233 HydrophobicContact CG-SD 3.61Å; Q60-M233 PolarHBondContact NE2-SD 3.07Å; Q60-M233 VanDerWaalsContact NE2-SD 3.43Å; Q60-G237 PolarHBondContact OE1-O 2.78Å; Q60-T238 PolarHBondContact NE2-O 2.83Å
61E98.5Very high96.7Very high16 Ų1636.2 Ų36.28%0.07519%0.188CC..EExtended strand (participates in β ladder)trans-112.8135.6173.4-51.1-174151.400108.6R33 K56 Y63 F71 V72R33-E61 HydrophobicContact CG-CG 4.22Å; K56-E61 HydrophobicContact CB-CG 4.42Å; K56-E61 HydrophobicContact CD-CG 4.08Å; K56-E61 WeakPolarHBondContact CD-OE1 3.36Å; K56-E61 WeakPolarHBondContact CE-OE1 3.35Å; K56-E61 HydrophobicContact CG-CB 4.25Å; K56-E61 HydrophobicContact CG-CG 3.94Å; K56-E61 IonicContact NZ-OE1 3.29Å; K56-E61 PolarHBondContact NZ-OE1 3.02Å; K56-E61 IonicContact NZ-OE2 3.98Å; E61-Y63 HydrophobicContact CB-CD2 4.46Å; E61-Y63 HydrophobicContact CB-CE2 3.65Å; E61-Y63 PolarHBondContact OE2-OH 3.37Å; E61-F71 CarbonylContact O-C 3.57Å; E61-F71 VanDerWaalsContact O-CA 3.32Å; E61-F71 WeakPolarHBondContact O-CA 3.4Å; E61-V72 PolarHBondContact N-O 2.77Å; E61-V72 PolarHBondContact O-N 2.85Å
62A98.7Very high96.8Very high0 Ų035.4 Ų35.40%018%0.184CC..EExtended strand (participates in β ladder)trans-119.9132.6176.300000109.8V54 T55 F71 N231 M233V54-A62 CarbonylContact C-O 3.56Å; V54-A62 WeakPolarHBondContact CA-O 3.31Å; T55-A62 PolarHBondContact N-O 2.82Å; T55-A62 PolarHBondContact O-N 3.13Å; A62-F71 HydrophobicContact CB-CD1 3.53Å; A62-F71 HydrophobicContact CB-CE1 3.39Å; A62-F71 HydrophobicContact CB-CZ 4.33Å; A62-N231 HydrophobicContact CB-CB 3.91Å; A62-M233 HydrophobicContact CB-CE 3.74Å; A62-M233 HydrophobicContact CB-CG 4.15Å; A62-M233 HydrophobicContact CB-SD 3.56Å; A62-M233 VanDerWaalsContact CB-SD 3.56Å
63Y98.7Very high96.8Very high4 Ų432.5 Ų32.52%0.01617%0.17CC..EExtended strand (participates in β ladder)trans-119123.4-176.7-63.2-98.3000108.7I51 S53 V54 E61 S69 M70 V72 N231I51-Y63 HydrophobicContact CD1-CD1 3.73Å; I51-Y63 HydrophobicContact CD1-CE1 4.07Å; I51-Y63 HydrophobicContact CG1-CD1 4.11Å; I51-Y63 HydrophobicContact CG2-CD1 3.79Å; S53-Y63 WeakPolarHBondContact O-CA 3.1Å; V54-Y63 HydrophobicContact CB-CD1 3.71Å; V54-Y63 HydrophobicContact CB-CE1 3.74Å; V54-Y63 HydrophobicContact CB-CG 4.43Å; V54-Y63 HydrophobicContact CG2-CD1 3.64Å; V54-Y63 HydrophobicContact CG2-CD2 4.36Å; V54-Y63 HydrophobicContact CG2-CE1 3.36Å; V54-Y63 HydrophobicContact CG2-CE2 4.11Å; V54-Y63 HydrophobicContact CG2-CG 4.13Å; E61-Y63 HydrophobicContact CB-CD2 4.46Å; E61-Y63 HydrophobicContact CB-CE2 3.65Å; E61-Y63 PolarHBondContact OE2-OH 3.37Å; Y63-S69 WeakPolarHBondContact O-CA 3.36Å; Y63-M70 HydrophobicContact CD1-CE 4.16Å; Y63-M70 HydrophobicContact CD2-CE 3.49Å; Y63-M70 VanDerWaalsContact CD2-CE 3.49Å; Y63-M70 HydrophobicContact CE1-CE 4.43Å; Y63-M70 HydrophobicContact CE2-CE 3.84Å; Y63-M70 HydrophobicContact CG-CE 3.69Å; Y63-M70 PolarHBondContact N-O 3.11Å; Y63-M70 PolarHBondContact O-N 3.38Å; Y63-V72 HydrophobicContact CD2-CG2 4.4Å; Y63-V72 HydrophobicContact CE2-CB 4.46Å; Y63-V72 HydrophobicContact CE2-CG2 3.97Å; Y63-N231 PolarHBondContact O-ND2 2.85Å
64I98.3Very high96.8Very high0 Ų036.5 Ų36.50%018%0.184CC..EExtended strand (participates in β ladder)trans-81.6131.1165.7-60.1-177.6000107.2I52 S53 D219 N231I52-I64 HydrophobicContact CB-CG2 4.37Å; I52-I64 HydrophobicContact CD1-CG2 4.28Å; I52-I64 PolarHBondContact N-O 3.32Å; S53-I64 PolarHBondContact N-O 2.88Å; S53-I64 PolarHBondContact O-N 2.86Å; S53-I64 WeakPolarHBondContact OG-CB 3.27Å; S53-I64 WeakPolarHBondContact OG-CD1 3.36Å; S53-I64 WeakPolarHBondContact OG-CG1 3.47Å; I64-D219 HydrophobicContact CD1-CB 3.97Å; I64-D219 WeakPolarHBondContact CD1-O 3.44Å; I64-N231 PolarHBondContact N-ND2 3.4Å
65L97.6Very high96.8Very high0 Ų038.4 Ų38.40%019%0.186CC..EExtended strand (participates in β ladder)trans-107.5164.7179.5-49.1-179.9000111.3L44 C49 L50 I51 I52 E67 S68 M70 L79L44-L65 HydrophobicContact CD1-CD2 3.76Å; L44-L65 HydrophobicContact CD2-CD1 4.13Å; C49-L65 WeakPolarHBondContact SG-CB 3.39Å; L50-L65 CarbonylContact O-C 3.43Å; L50-L65 WeakPolarHBondContact O-CA 3.45Å; I51-L65 HydrophobicContact CB-CD2 4.47Å; I51-L65 HydrophobicContact CG1-CD2 3.73Å; I52-L65 WeakPolarHBondContact CD1-O 3.28Å; L65-E67 PolarHBondContact O-N 2.91Å; L65-S68 WeakPolarHBondContact CA-O 3.35Å; L65-S68 WeakPolarHBondContact CB-O 3.47Å; L65-S68 PolarHBondContact N-O 2.97Å; L65-M70 HydrophobicContact CD1-CB 4.1Å; L65-M70 HydrophobicContact CD2-CB 4.35Å; L65-M70 HydrophobicContact CG-CB 4.48Å; L65-L79 HydrophobicContact CD1-CD1 3.72Å
66S92.4Very high96.8Very high34 Ų3437.5 Ų37.524%0.23818%0.179CC..THydrogen-bonded Turntrans-57.3-32.5168.556.20000112.4L50 F223L50-S66 PolarHBondContact N-OG 2.89Å; L50-S66 PolarHBondContact O-N 2.85Å; S66-F223 WeakPolarHBondContact O-CE1 3.24Å
67E88.6Confident96.9Very high53 Ų5331.7 Ų31.725%0.24815%0.154CC..THydrogen-bonded Turntrans-131.863-175.3-57.8-67168.900109.5F9 L65 T81 C82 T85F9-E67 VanDerWaalsContact CE2-OE2 3.24Å; F9-E67 WeakPolarHBondContact CE2-OE2 3.47Å; F9-E67 WeakPolarHBondContact CZ-OE2 3.48Å; L65-E67 PolarHBondContact O-N 2.91Å; E67-T81 VanDerWaalsContact O-CA 3.23Å; E67-T81 WeakPolarHBondContact O-CA 3.06Å; E67-C82 VanDerWaalsContact C-SG 3.6Å; E67-C82 PolarHBondContact O-N 2.72Å; E67-T85 HydrophobicContact CB-CG2 3.82Å; E67-T85 HydrophobicContact CG-CG2 3.92Å
68S91.3Very high97Very high2 Ų230.1 Ų30.11%0.01414%0.144CC..EExtended strand (participates in β ladder)trans98.6-128.4179.5-60.20000118.2E13 L65 K80 C82 H243E13-S68 PolarHBondContact OE1-OG 2.97Å; L65-S68 WeakPolarHBondContact CA-O 3.35Å; L65-S68 WeakPolarHBondContact CB-O 3.47Å; L65-S68 PolarHBondContact N-O 2.97Å; S68-K80 WeakPolarHBondContact CB-O 3.39Å; S68-C82 PolarHBondContact OG-SG 2.96Å; S68-H243 WeakPolarHBondContact CA-CE1 3.5Å; S68-H243 WeakPolarHBondContact CA-ND1 3.3Å; S68-H243 VanDerWaalsContact CB-CE1 3.49Å; S68-H243 WeakPolarHBondContact CB-CE1 3.29Å; S68-H243 PolarHBondContact O-CE1 2.98Å
69S98.4Very high97.1Very high1 Ų122.4 Ų22.41%0.00710%0.103CC..EExtended strand (participates in β ladder)trans-148.9152.6-164.4-84.80000114Y63 K80 N231 T241 H243Y63-S69 WeakPolarHBondContact O-CA 3.36Å; S69-K80 PolarHBondContact N-O 3.44Å; S69-K80 VanDerWaalsContact N-O 3.11Å; S69-K80 PolarHBondContact O-N 3.17Å; S69-K80 VanDerWaalsContact O-O 3.07Å; S69-N231 WeakPolarHBondContact CB-OD1 3.45Å; S69-N231 VanDerWaalsContact OG-CG 3.25Å; S69-N231 PolarHBondContact OG-ND2 2.9Å; S69-N231 VanDerWaalsContact OG-ND2 3.09Å; S69-N231 PolarHBondContact OG-OD1 2.84Å; S69-T241 PolarHBondContact OG-OG1 3.26Å; S69-H243 PolarHBondContact OG-CE1 3.45Å; S69-H243 PolarHBondContact OG-NE2 3.44Å
70M98.8Very high97.3Very high0 Ų017.4 Ų17.40%08%0.081CC..EExtended strand (participates in β ladder)trans-133.7136.9170.7179.7-177.775.200110.7W40 L44 I51 Y63 L65 V72 F77 I78 L79W40-M70 HydrophobicContact CB-CE 4.15Å; W40-M70 HydrophobicContact CD2-CE 4.27Å; W40-M70 HydrophobicContact CE3-SD 4.49Å; W40-M70 HydrophobicContact CG-CE 4.06Å; L44-M70 HydrophobicContact CD1-CE 4.18Å; L44-M70 HydrophobicContact CD1-SD 4.2Å; L44-M70 HydrophobicContact CD2-SD 4.39Å; I51-M70 HydrophobicContact CD1-CE 4.4Å; Y63-M70 HydrophobicContact CD1-CE 4.16Å; Y63-M70 HydrophobicContact CD2-CE 3.49Å; Y63-M70 VanDerWaalsContact CD2-CE 3.49Å; Y63-M70 HydrophobicContact CE1-CE 4.43Å; Y63-M70 HydrophobicContact CE2-CE 3.84Å; Y63-M70 HydrophobicContact CG-CE 3.69Å; Y63-M70 PolarHBondContact N-O 3.11Å; Y63-M70 PolarHBondContact O-N 3.38Å; L65-M70 HydrophobicContact CD1-CB 4.1Å; L65-M70 HydrophobicContact CD2-CB 4.35Å; L65-M70 HydrophobicContact CG-CB 4.48Å; M70-V72 HydrophobicContact CE-CG2 4.11Å; M70-V72 HydrophobicContact CG-CG2 4.28Å; M70-V72 HydrophobicContact SD-CG2 4.46Å; M70-F77 HydrophobicContact CG-CE2 3.83Å; M70-F77 HydrophobicContact CG-CZ 3.97Å; M70-F77 HydrophobicContact SD-CE2 3.56Å; M70-F77 VanDerWaalsContact SD-CE2 3.56Å; M70-F77 HydrophobicContact SD-CZ 3.75Å; M70-I78 CarbonylContact C-O 3.57Å; M70-I78 VanDerWaalsContact CA-O 3.28Å; M70-I78 WeakPolarHBondContact CA-O 3.31Å; M70-I78 WeakPolarHBondContact CG-O 3.39Å; M70-L79 HydrophobicContact CB-CD1 4.01Å; M70-L79 HydrophobicContact CG-CD1 4.32Å
71F98.8Very high97.3Very high6 Ų617.1 Ų17.13%0.0268%0.08CC..EExtended strand (participates in β ladder)trans-122.3132.3175-61.6-95.7000110.9E61 A62 I78 N231 Y239 T241E61-F71 CarbonylContact O-C 3.57Å; E61-F71 VanDerWaalsContact O-CA 3.32Å; E61-F71 WeakPolarHBondContact O-CA 3.4Å; A62-F71 HydrophobicContact CB-CD1 3.53Å; A62-F71 HydrophobicContact CB-CE1 3.39Å; A62-F71 HydrophobicContact CB-CZ 4.33Å; F71-I78 HydrophobicContact CB-CB 4.17Å; F71-I78 HydrophobicContact CB-CD1 4.44Å; F71-I78 HydrophobicContact CD2-CB 4.4Å; F71-I78 HydrophobicContact CD2-CG2 4.48Å; F71-I78 PolarHBondContact N-O 3.12Å; F71-I78 PolarHBondContact O-N 2.93Å; F71-N231 HydrophobicContact CE1-CB 4.29Å; F71-N231 HydrophobicContact CZ-CB 4.14Å; F71-N231 WeakPolarHBondContact CZ-OD1 3.49Å; F71-Y239 HydrophobicContact CD1-CD2 4.24Å; F71-Y239 HydrophobicContact CD1-CG 4.2Å; F71-Y239 HydrophobicContact CD2-CD2 4.09Å; F71-Y239 HydrophobicContact CD2-CE2 4.36Å; F71-Y239 AromaticContact CE1-CD2 3.88Å; F71-Y239 HydrophobicContact CE1-CD2 3.88Å; F71-Y239 HydrophobicContact CE1-CG 4.06Å; F71-Y239 AromaticContact CE2-CD2 3.73Å; F71-Y239 HydrophobicContact CE2-CD2 3.73Å; F71-Y239 HydrophobicContact CE2-CE2 4.13Å; F71-Y239 HydrophobicContact CG-CD2 4.34Å; F71-Y239 AromaticContact CZ-CD2 3.6Å; F71-Y239 HydrophobicContact CZ-CD2 3.6Å; F71-Y239 HydrophobicContact CZ-CE2 4.44Å; F71-Y239 HydrophobicContact CZ-CG 4.26Å; F71-T241 HydrophobicContact CE2-CG2 4.18Å
72V98.8Very high97.2Very high0 Ų016.8 Ų16.80%08%0.079CC..EExtended strand (participates in β ladder)trans-125.1114.4179.9-171.90000109L32 R33 W40 Q60 E61 Y63 M70 F77L32-V72 HydrophobicContact CB-CG1 3.57Å; R33-V72 HydrophobicContact CG-CG1 4.05Å; W40-V72 HydrophobicContact CZ2-CG1 4.1Å; W40-V72 HydrophobicContact CZ2-CG2 4.2Å; Q60-V72 CarbonylContact C-O 3.48Å; Q60-V72 WeakPolarHBondContact CA-O 3.26Å; E61-V72 PolarHBondContact N-O 2.77Å; E61-V72 PolarHBondContact O-N 2.85Å; Y63-V72 HydrophobicContact CD2-CG2 4.4Å; Y63-V72 HydrophobicContact CE2-CB 4.46Å; Y63-V72 HydrophobicContact CE2-CG2 3.97Å; M70-V72 HydrophobicContact CE-CG2 4.11Å; M70-V72 HydrophobicContact CG-CG2 4.28Å; M70-V72 HydrophobicContact SD-CG2 4.46Å; V72-F77 HydrophobicContact CG2-CD2 4.15Å; V72-F77 HydrophobicContact CG2-CE2 4.28Å
73S98.4Very high97.1Very high19 Ų1917 Ų1713%0.1338%0.082CC..EExtended strand (participates in β ladder)trans-111.8-174.317173.80000109.9L32 R75 R76L32-S73 WeakPolarHBondContact CB-O 3.48Å; S73-R75 VanDerWaalsContact C-N 3.3Å; S73-R75 PolarHBondContact O-N 2.67Å; S73-R76 PolarHBondContact N-O 2.92Å; S73-R76 WeakPolarHBondContact OG-CA 3.49Å; S73-R76 VanDerWaalsContact OG-CB 3.3Å; S73-R76 WeakPolarHBondContact OG-CB 3.47Å; S73-R76 PolarHBondContact OG-N 2.79Å; S73-R76 PolarHBondContact OG-O 3.32Å
74K97.8Very high97Very high111 Ų11120.6 Ų20.648%0.48310%0.104SC..SBendtrans-53.2-45.5-180-171.8179.9178.7178.80113.3G30 D31 L32 F104G30-K74 WeakPolarHBondContact O-CE 3.35Å; G30-K74 WeakPolarHBondContact O-CG 3.38Å; D31-K74 WeakPolarHBondContact CA-O 3.34Å; D31-K74 HydrophobicContact CB-CG 4.04Å; D31-K74 WeakPolarHBondContact OD1-CA 3.5Å; L32-K74 PolarHBondContact N-O 3.07Å; K74-F104 WeakPolarHBondContact O-CZ 3.49Å
75R97.4Very high96.9Very high94 Ų9420.8 Ų20.836%0.35511%0.105SC..SBendtrans-130.4-13-173.8-69.2177.265.7176.5-1.8114.4W19 F20 S73 F104 E108W19-R75 CarbonylContact C-O 3.56Å; W19-R75 WeakPolarHBondContact CA-O 3.29Å; F20-R75 PolarHBondContact N-O 3.33Å; F20-R75 PolarHBondContact O-NE 2.71Å; F20-R75 PolarHBondContact O-NH2 2.98Å; F20-R75 VanDerWaalsContact O-NH2 3.11Å; S73-R75 VanDerWaalsContact C-N 3.3Å; S73-R75 PolarHBondContact O-N 2.67Å; R75-F104 HydrophobicContact CG-CE1 4.03Å; R75-F104 HydrophobicContact CG-CZ 3.83Å; R75-E108 IonicContact CZ-OE2 3.73Å; R75-E108 VanDerWaalsContact CZ-OE2 3.26Å; R75-E108 IonicContact NE-OE2 3.85Å; R75-E108 IonicContact NH2-OE2 3.77Å; R75-E108 PolarHBondContact NH2-OE2 2.86Å
76R98.5Very high96.9Very high13 Ų1321.3 Ų21.35%0.04911%0.108CC..EExtended strand (participates in β ladder)trans-104130.6176.1179.4-179.761.2-168.65.5110.9E17 V18 W19 S73 I78 D174 N258E17-R76 HydrophobicContact CG-CG 4.17Å; E17-R76 WeakPolarHBondContact OE1-CD 3.24Å; E17-R76 IonicContact OE1-NH1 2.83Å; V18-R76 WeakPolarHBondContact O-CA 3.41Å; W19-R76 HydrophobicContact CD2-CB 3.84Å; W19-R76 HydrophobicContact CD2-CG 4.13Å; W19-R76 HydrophobicContact CE3-CB 3.87Å; W19-R76 HydrophobicContact CG-CB 4.47Å; W19-R76 HydrophobicContact CH2-CB 4.19Å; W19-R76 HydrophobicContact CZ2-CB 4.18Å; W19-R76 VanDerWaalsContact CZ2-CD 3.45Å; W19-R76 HydrophobicContact CZ2-CG 4.17Å; W19-R76 HydrophobicContact CZ3-CB 4.02Å; S73-R76 PolarHBondContact N-O 2.92Å; S73-R76 WeakPolarHBondContact OG-CA 3.49Å; S73-R76 VanDerWaalsContact OG-CB 3.3Å; S73-R76 WeakPolarHBondContact OG-CB 3.47Å; S73-R76 PolarHBondContact OG-N 2.79Å; S73-R76 PolarHBondContact OG-O 3.32Å; R76-I78 HydrophobicContact CG-CD1 4.41Å; R76-I78 HydrophobicContact CG-CG1 4.04Å; R76-D174 IonicContact NH1-OD1 2.88Å; R76-N258 PolarHBondContact NH2-ND2 2.82Å; R76-N258 VanDerWaalsContact NH2-ND2 3.12Å
77F98.8Very high97.2Very high1 Ų119.7 Ų19.70%0.00410%0.096CC..EExtended strand (participates in β ladder)trans-111.8133.1167.9-178.7-95.1000109.5E17 V18 F20 L32 W40 M70 V72 L79 L94E17-F77 WeakPolarHBondContact CA-O 3.34Å; V18-F77 PolarHBondContact N-O 2.63Å; V18-F77 PolarHBondContact O-N 3.1Å; F20-F77 HydrophobicContact CE2-CB 4.02Å; L32-F77 HydrophobicContact CD1-CB 3.94Å; W40-F77 HydrophobicContact CE3-CE2 4.4Å; W40-F77 HydrophobicContact CH2-CD2 4.16Å; W40-F77 AromaticContact CH2-CE2 4Å; W40-F77 HydrophobicContact CH2-CE2 4Å; W40-F77 HydrophobicContact CZ3-CD2 4.39Å; W40-F77 AromaticContact CZ3-CE2 3.79Å; W40-F77 HydrophobicContact CZ3-CE2 3.79Å; M70-F77 HydrophobicContact CG-CE2 3.83Å; M70-F77 HydrophobicContact CG-CZ 3.97Å; M70-F77 HydrophobicContact SD-CE2 3.56Å; M70-F77 VanDerWaalsContact SD-CE2 3.56Å; M70-F77 HydrophobicContact SD-CZ 3.75Å; V72-F77 HydrophobicContact CG2-CD2 4.15Å; V72-F77 HydrophobicContact CG2-CE2 4.28Å; F77-L79 HydrophobicContact CD1-CB 4.36Å; F77-L79 HydrophobicContact CE1-CB 3.41Å; F77-L79 VanDerWaalsContact CE1-CB 3.41Å; F77-L79 HydrophobicContact CE1-CD2 4.37Å; F77-L79 HydrophobicContact CE1-CG 4.49Å; F77-L79 HydrophobicContact CZ-CB 3.81Å; F77-L79 HydrophobicContact CZ-CD2 4.42Å; F77-L94 HydrophobicContact CD1-CD1 4Å; F77-L94 HydrophobicContact CD1-CD2 3.37Å; F77-L94 HydrophobicContact CD1-CG 4.33Å; F77-L94 HydrophobicContact CD2-CD1 3.77Å; F77-L94 HydrophobicContact CE1-CD1 4.01Å; F77-L94 HydrophobicContact CE1-CD2 3.52Å; F77-L94 HydrophobicContact CE1-CG 4.37Å; F77-L94 HydrophobicContact CE2-CD1 3.8Å; F77-L94 HydrophobicContact CG-CD1 3.87Å; F77-L94 HydrophobicContact CG-CD2 3.97Å; F77-L94 HydrophobicContact CZ-CD1 3.92Å; F77-L94 HydrophobicContact CZ-CD2 4.25Å
78I98.9Very high97.6Very high2 Ų217.2 Ų17.21%0.019%0.085CC..EExtended strand (participates in β ladder)trans-126.7128.5171-57.8167000107.9L15 L16 E17 M70 F71 R76 Y239L15-I78 HydrophobicContact CD1-CG2 3.68Å; L16-I78 CarbonylContact O-C 3.56Å; L16-I78 VanDerWaalsContact O-CA 3.31Å; L16-I78 WeakPolarHBondContact O-CA 3.44Å; E17-I78 HydrophobicContact CB-CG1 4.29Å; E17-I78 HydrophobicContact CG-CG1 3.91Å; M70-I78 CarbonylContact C-O 3.57Å; M70-I78 VanDerWaalsContact CA-O 3.28Å; M70-I78 WeakPolarHBondContact CA-O 3.31Å; M70-I78 WeakPolarHBondContact CG-O 3.39Å; F71-I78 HydrophobicContact CB-CB 4.17Å; F71-I78 HydrophobicContact CB-CD1 4.44Å; F71-I78 HydrophobicContact CD2-CB 4.4Å; F71-I78 HydrophobicContact CD2-CG2 4.48Å; F71-I78 PolarHBondContact N-O 3.12Å; F71-I78 PolarHBondContact O-N 2.93Å; R76-I78 HydrophobicContact CG-CD1 4.41Å; R76-I78 HydrophobicContact CG-CG1 4.04Å; I78-Y239 HydrophobicContact CD1-CD1 4.37Å; I78-Y239 HydrophobicContact CD1-CE1 3.55Å; I78-Y239 HydrophobicContact CD1-CE2 4.16Å; I78-Y239 VanDerWaalsContact CD1-CZ 3.44Å; I78-Y239 WeakPolarHBondContact CD1-OH 3.26Å
79L98.8Very high97.9Very high0 Ų020.9 Ų20.90%010%0.102CC..EExtended strand (participates in β ladder)trans-127.6123.7169.917662.7000108.5L16 L44 L65 M70 F77 T81 L87 A90L16-L79 PolarHBondContact N-O 2.77Å; L16-L79 PolarHBondContact O-N 3.31Å; L44-L79 HydrophobicContact CD2-CD1 3.77Å; L44-L79 HydrophobicContact CD2-CD2 4.42Å; L65-L79 HydrophobicContact CD1-CD1 3.72Å; M70-L79 HydrophobicContact CB-CD1 4.01Å; M70-L79 HydrophobicContact CG-CD1 4.32Å; F77-L79 HydrophobicContact CD1-CB 4.36Å; F77-L79 HydrophobicContact CE1-CB 3.41Å; F77-L79 VanDerWaalsContact CE1-CB 3.41Å; F77-L79 HydrophobicContact CE1-CD2 4.37Å; F77-L79 HydrophobicContact CE1-CG 4.49Å; F77-L79 HydrophobicContact CZ-CB 3.81Å; F77-L79 HydrophobicContact CZ-CD2 4.42Å; L79-T81 HydrophobicContact CD1-CG2 3.76Å; L79-T81 HydrophobicContact CD2-CG2 4.48Å; L79-T81 HydrophobicContact CG-CG2 3.97Å; L79-L87 HydrophobicContact CD2-CD1 4.43Å; L79-L87 HydrophobicContact CD2-CG 4.29Å; L79-L87 HydrophobicContact CG-CD1 4.12Å; L79-L87 WeakPolarHBondContact O-CD1 3.29Å; L79-A90 HydrophobicContact CD2-CB 4.29Å
80K98.4Very high97.9Very high4 Ų420.9 Ų20.92%0.01710%0.102CC..EExtended strand (participates in β ladder)trans-120.7126.2174.7-163.8168.5-149.9172.90108.3E13 K14 L15 S68 S69 E178 E256E13-K80 HydrophobicContact CB-CD 4.12Å; E13-K80 HydrophobicContact CB-CG 3.7Å; E13-K80 VanDerWaalsContact CD-CD 3.49Å; E13-K80 HydrophobicContact CG-CD 4.23Å; E13-K80 HydrophobicContact CG-CG 3.96Å; E13-K80 WeakPolarHBondContact OE1-CD 3.25Å; E13-K80 WeakPolarHBondContact OE2-CE 3.48Å; E13-K80 IonicContact OE2-NZ 3.61Å; E13-K80 PolarHBondContact OE2-NZ 3.3Å; K14-K80 WeakPolarHBondContact O-CA 3.28Å; L15-K80 HydrophobicContact CB-CG 4.49Å; L15-K80 HydrophobicContact CD1-CB 3.99Å; L15-K80 HydrophobicContact CD1-CD 4.16Å; L15-K80 HydrophobicContact CD1-CG 4.13Å; S68-K80 WeakPolarHBondContact CB-O 3.39Å; S69-K80 PolarHBondContact N-O 3.44Å; S69-K80 VanDerWaalsContact N-O 3.11Å; S69-K80 PolarHBondContact O-N 3.17Å; S69-K80 VanDerWaalsContact O-O 3.07Å; K80-E178 IonicContact NZ-OE1 2.81Å; K80-E178 PolarHBondContact NZ-OE1 2.99Å; K80-E256 WeakPolarHBondContact CD-OE2 3.38Å; K80-E256 WeakPolarHBondContact CE-OE2 3.4Å; K80-E256 IonicContact NZ-OE2 3.81Å; K80-E256 PolarHBondContact NZ-OE2 3.32Å
81T97.8Very high97.9Very high0 Ų020.9 Ų20.90%010%0.102CC..EExtended strand (participates in β ladder)trans-136.1147.8178.470.30000113E13 K14 E67 L79 T85 L87E13-T81 CarbonylContact C-O 3.49Å; E13-T81 WeakPolarHBondContact CA-O 3.34Å; K14-T81 PolarHBondContact N-O 3.25Å; K14-T81 PolarHBondContact O-N 3.15Å; E67-T81 VanDerWaalsContact O-CA 3.23Å; E67-T81 WeakPolarHBondContact O-CA 3.06Å; L79-T81 HydrophobicContact CD1-CG2 3.76Å; L79-T81 HydrophobicContact CD2-CG2 4.48Å; L79-T81 HydrophobicContact CG-CG2 3.97Å; T81-T85 WeakPolarHBondContact CB-OG1 3.42Å; T81-T85 PolarHBondContact OG1-OG1 2.7Å; T81-L87 HydrophobicContact CG2-CD1 4.34Å
82C96.2Very high97.8Very high9 Ų924.5 Ų24.56%0.06112%0.12CC..  trans-118.1-168.6-179.357.10000112.1F9 E13 E67 S68 T85F9-C82 HydrophobicContact CE1-CB 4.39Å; F9-C82 HydrophobicContact CZ-CB 4.31Å; E13-C82 HydrophobicContact CG-CB 3.9Å; E67-C82 VanDerWaalsContact C-SG 3.6Å; E67-C82 PolarHBondContact O-N 2.72Å; S68-C82 PolarHBondContact OG-SG 2.96Å; C82-T85 WeakPolarHBondContact O-CB 3.15Å; C82-T85 VanDerWaalsContact O-CG2 3.28Å; C82-T85 WeakPolarHBondContact O-CG2 3.4Å; C82-T85 PolarHBondContact O-N 3.37Å; C82-T85 PolarHBondContact O-OG1 2.85Å
83G96.4Very high97.8Very high5 Ų526.2 Ų26.25%0.05213%0.131CC..THydrogen-bonded Turntrans62.7-136.5-17700000112.6E10 K14 Q123E10-G83 WeakPolarHBondContact O-CA 2.99Å; E10-G83 PolarHBondContact O-N 3.04Å; K14-G83 PolarHBondContact NZ-O 3.28Å; G83-Q123 PolarHBondContact O-NE2 3.21Å; G83-Q123 PolarHBondContact O-OE1 3.17Å
84T96.6Very high97.8Very high78 Ų7825.4 Ų25.448%0.47913%0.125SC..THydrogen-bonded Turntrans-101.214.1178.655.90000113.1L86T84-L86 WeakPolarHBondContact O-CD2 3.3Å
85T96.8Very high97.8Very high5 Ų521.8 Ų21.83%0.03111%0.111CC..  trans-55.3141.4177.8550000111.9K14 E67 T81 C82 L87K14-T85 VanDerWaalsContact CE-O 3.22Å; K14-T85 WeakPolarHBondContact CE-O 3.34Å; K14-T85 PolarHBondContact NZ-O 3.26Å; E67-T85 HydrophobicContact CB-CG2 3.82Å; E67-T85 HydrophobicContact CG-CG2 3.92Å; T81-T85 WeakPolarHBondContact CB-OG1 3.42Å; T81-T85 PolarHBondContact OG1-OG1 2.7Å; C82-T85 WeakPolarHBondContact O-CB 3.15Å; C82-T85 VanDerWaalsContact O-CG2 3.28Å; C82-T85 WeakPolarHBondContact O-CG2 3.4Å; C82-T85 PolarHBondContact O-N 3.37Å; C82-T85 PolarHBondContact O-OG1 2.85Å; T85-L87 PolarHBondContact O-N 2.81Å
86L97Very high97.8Very high11 Ų1121.5 Ų21.56%0.05811%0.113CC..  trans-99.456.8-173.3-51.6-180000111.2V47 T84 L88 Q89 E124V47-L86 VanDerWaalsContact CG1-O 3.26Å; V47-L86 WeakPolarHBondContact CG1-O 3.4Å; T84-L86 WeakPolarHBondContact O-CD2 3.3Å; L86-L88 PolarHBondContact O-N 2.78Å; L86-Q89 HydrophobicContact CB-CB 4.43Å; L86-Q89 HydrophobicContact CB-CG 3.94Å; L86-Q89 VanDerWaalsContact O-CB 3.32Å; L86-Q89 WeakPolarHBondContact O-CB 3.49Å; L86-Q89 PolarHBondContact O-N 3.1Å; L86-E124 HydrophobicContact CD2-CB 3.95Å
87L98.3Very high97.8Very high0 Ų021.7 Ų21.70%012%0.116CC..G310 helixtrans-44.7-43.6-169.9-178.3149.1000114.2K14 L16 L79 T81 T85 Q89 A90 Y112 H127K14-L87 HydrophobicContact CB-CB 4.03Å; K14-L87 HydrophobicContact CB-CD1 3.83Å; K14-L87 HydrophobicContact CB-CG 4.42Å; K14-L87 HydrophobicContact CD-CB 3.96Å; K14-L87 VanDerWaalsContact O-CD1 3.28Å; K14-L87 WeakPolarHBondContact O-CD1 3.47Å; L16-L87 HydrophobicContact CB-CD1 4.23Å; L16-L87 HydrophobicContact CB-CD2 3.55Å; L16-L87 HydrophobicContact CB-CG 4.39Å; L16-L87 HydrophobicContact CD2-CD2 4.15Å; L16-L87 HydrophobicContact CG-CD2 4.39Å; L79-L87 HydrophobicContact CD2-CD1 4.43Å; L79-L87 HydrophobicContact CD2-CG 4.29Å; L79-L87 HydrophobicContact CG-CD1 4.12Å; L79-L87 WeakPolarHBondContact O-CD1 3.29Å; T81-L87 HydrophobicContact CG2-CD1 4.34Å; T85-L87 PolarHBondContact O-N 2.81Å; L87-Q89 PolarHBondContact O-N 3.12Å; L87-A90 WeakPolarHBondContact O-CB 3.28Å; L87-A90 PolarHBondContact O-N 2.97Å; L87-Y112 HydrophobicContact CD2-CD2 4.09Å; L87-Y112 HydrophobicContact CD2-CE2 3.93Å; L87-H127 PolarHBondContact N-NE2 2.99Å
88L98.4Very high97.8Very high1 Ų121.7 Ų21.71%0.00512%0.115CC..G310 helixtrans-67.7-18.6-176.2-78.1176.9000113.3L86 A90 L91 Y112 P126 H127 E133 F136 L137L86-L88 PolarHBondContact O-N 2.78Å; L88-A90 VanDerWaalsContact C-N 3.25Å; L88-A90 PolarHBondContact O-N 3.41Å; L88-L91 WeakPolarHBondContact O-CB 3.46Å; L88-L91 PolarHBondContact O-N 2.97Å; L88-Y112 HydrophobicContact CD1-CD1 4.42Å; L88-Y112 HydrophobicContact CD1-CE1 4.07Å; L88-Y112 HydrophobicContact CD1-CE2 4.32Å; L88-Y112 HydrophobicContact CD2-CD2 3.77Å; L88-Y112 HydrophobicContact CD2-CE2 4.03Å; L88-Y112 HydrophobicContact CD2-CG 4.04Å; L88-Y112 HydrophobicContact CG-CD2 4.24Å; L88-Y112 HydrophobicContact CG-CE2 3.97Å; L88-P126 HydrophobicContact CB-CG 3.85Å; L88-P126 HydrophobicContact CD1-CG 4.31Å; L88-H127 VanDerWaalsContact CG-CE1 3.5Å; L88-H127 WeakPolarHBondContact CG-CE1 3.2Å; L88-H127 PolarHBondContact N-NE2 2.69Å; L88-E133 HydrophobicContact CD1-CB 3.98Å; L88-E133 HydrophobicContact CD1-CG 4.1Å; L88-F136 HydrophobicContact CB-CD1 3.97Å; L88-F136 HydrophobicContact CB-CE1 3.84Å; L88-F136 HydrophobicContact CD1-CD1 4.21Å; L88-F136 WeakPolarHBondContact O-CE1 3.34Å; L88-L137 HydrophobicContact CD1-CD1 4.23Å; L88-L137 HydrophobicContact CD1-CG 4.18Å; L88-L137 HydrophobicContact CD2-CD1 4.14Å; L88-L137 HydrophobicContact CD2-CD2 3.63Å; L88-L137 HydrophobicContact CD2-CG 4.02Å
89Q97.4Very high97.7Very high78 Ų7828.1 Ų28.136%0.36414%0.14SC..G310 helixtrans-71.2-20.8173.1-59-170.31500112.7V47 L86 L87 L91 P93 F125V47-Q89 HydrophobicContact CG1-CB 4.25Å; L86-Q89 HydrophobicContact CB-CB 4.43Å; L86-Q89 HydrophobicContact CB-CG 3.94Å; L86-Q89 VanDerWaalsContact O-CB 3.32Å; L86-Q89 WeakPolarHBondContact O-CB 3.49Å; L86-Q89 PolarHBondContact O-N 3.1Å; L87-Q89 PolarHBondContact O-N 3.12Å; Q89-L91 VanDerWaalsContact C-N 3.28Å; Q89-L91 PolarHBondContact O-N 3.12Å; Q89-P93 WeakPolarHBondContact O-CD 3.49Å; Q89-F125 PolarHBondContact NE2-O 3.44Å
90A97.5Very high97.5Very high1 Ų134.4 Ų34.41%0.00817%0.169CC..G310 helixtrans-77.2-12.8173.400000113.3L43 V47 L79 L87 L88 P93 L94L43-A90 HydrophobicContact CD2-CB 3.95Å; L43-A90 HydrophobicContact CG-CB 4.22Å; V47-A90 HydrophobicContact CG1-CB 3.71Å; V47-A90 HydrophobicContact CG2-CB 4.41Å; L79-A90 HydrophobicContact CD2-CB 4.29Å; L87-A90 WeakPolarHBondContact O-CB 3.28Å; L87-A90 PolarHBondContact O-N 2.97Å; L88-A90 VanDerWaalsContact C-N 3.25Å; L88-A90 PolarHBondContact O-N 3.41Å; A90-P93 WeakPolarHBondContact O-CD 3.31Å; A90-L94 VanDerWaalsContact O-CB 3.26Å; A90-L94 WeakPolarHBondContact O-CB 3.47Å; A90-L94 PolarHBondContact O-N 3.29Å
91L98.1Very high97.4Very high0 Ų037.5 Ų37.50%018%0.181CC..Hα-helixtrans-64.8-52.5-172.2177.157.6000112.7L16 L88 Q89 L94 L95 F110 L137 I140 F141L16-L91 HydrophobicContact CD1-CD1 4.47Å; L16-L91 HydrophobicContact CD2-CD1 4.25Å; L88-L91 WeakPolarHBondContact O-CB 3.46Å; L88-L91 PolarHBondContact O-N 2.97Å; Q89-L91 VanDerWaalsContact C-N 3.28Å; Q89-L91 PolarHBondContact O-N 3.12Å; L91-L94 WeakPolarHBondContact O-CB 3.38Å; L91-L94 PolarHBondContact O-N 3.04Å; L91-L95 HydrophobicContact CD1-CD1 4.35Å; L91-L95 HydrophobicContact CD1-CD2 4.3Å; L91-L95 HydrophobicContact CD1-CG 4.15Å; L91-L95 HydrophobicContact CG-CD1 4.47Å; L91-L95 WeakPolarHBondContact O-CG 3.45Å; L91-L95 PolarHBondContact O-N 2.87Å; L91-F110 HydrophobicContact CD1-CE2 3.77Å; L91-F110 HydrophobicContact CD2-CE2 3.99Å; L91-F110 HydrophobicContact CD2-CZ 4.03Å; L91-L137 HydrophobicContact CD2-CD2 3.57Å; L91-I140 HydrophobicContact CD2-CD1 3.73Å; L91-I140 HydrophobicContact CG-CD1 4.35Å; L91-F141 HydrophobicContact CD2-CE2 3.88Å; L91-F141 HydrophobicContact CD2-CZ 4.35Å
92M97.5Very high97.4Very high82 Ų8237.5 Ų37.540%0.40418%0.181SC..Hα-helixtrans-61.8-47.5-180-75.1-60.1-58.400112.5L94 L95 E96 I140M92-L94 VanDerWaalsContact C-N 3.29Å; M92-L94 PolarHBondContact O-N 2.87Å; M92-L95 PolarHBondContact O-N 2.9Å; M92-L95 HydrophobicContact SD-CD1 4.22Å; M92-E96 WeakPolarHBondContact O-CG 3.35Å; M92-E96 PolarHBondContact O-N 3.09Å; M92-I140 HydrophobicContact CG-CD1 4.04Å; M92-I140 HydrophobicContact CG-CG1 4.47Å; M92-I140 HydrophobicContact SD-CD1 4.12Å; M92-I140 HydrophobicContact SD-CG1 4.11Å; M92-I140 HydrophobicContact SD-CG2 3.82Å
93P98.1Very high97.4Very high37 Ų3737.6 Ų37.624%0.2418%0.183CC..Hα-helixtrans-55.4-39.9171.6-27.935.3000113.8L43 Q89 A90 E96 L97L43-P93 HydrophobicContact CD1-CB 4.31Å; Q89-P93 WeakPolarHBondContact O-CD 3.49Å; A90-P93 WeakPolarHBondContact O-CD 3.31Å; P93-E96 PolarHBondContact O-N 2.62Å; P93-L97 WeakPolarHBondContact O-CG 3.3Å; P93-L97 PolarHBondContact O-N 3.01Å
94L98.5Very high97.4Very high1 Ų137.7 Ų37.71%0.00518%0.183CC..Hα-helixtrans-60.4-47.6175.9172.467.1000111.6L16 V18 F20 W40 L43 F77 A90 L91 M92 E96 L97 A98L16-L94 HydrophobicContact CD2-CD2 4.19Å; V18-L94 HydrophobicContact CG2-CD2 4.27Å; F20-L94 HydrophobicContact CZ-CD2 4.27Å; F20-L94 HydrophobicContact CZ-CG 4.1Å; W40-L94 HydrophobicContact CH2-CD1 4.11Å; W40-L94 HydrophobicContact CZ3-CD1 3.9Å; L43-L94 HydrophobicContact CD1-CB 3.93Å; F77-L94 HydrophobicContact CD1-CD1 4Å; F77-L94 HydrophobicContact CD1-CD2 3.37Å; F77-L94 HydrophobicContact CD1-CG 4.33Å; F77-L94 HydrophobicContact CD2-CD1 3.77Å; F77-L94 HydrophobicContact CE1-CD1 4.01Å; F77-L94 HydrophobicContact CE1-CD2 3.52Å; F77-L94 HydrophobicContact CE1-CG 4.37Å; F77-L94 HydrophobicContact CE2-CD1 3.8Å; F77-L94 HydrophobicContact CG-CD1 3.87Å; F77-L94 HydrophobicContact CG-CD2 3.97Å; F77-L94 HydrophobicContact CZ-CD1 3.92Å; F77-L94 HydrophobicContact CZ-CD2 4.25Å; A90-L94 VanDerWaalsContact O-CB 3.26Å; A90-L94 WeakPolarHBondContact O-CB 3.47Å; A90-L94 PolarHBondContact O-N 3.29Å; L91-L94 WeakPolarHBondContact O-CB 3.38Å; L91-L94 PolarHBondContact O-N 3.04Å; M92-L94 VanDerWaalsContact C-N 3.29Å; M92-L94 PolarHBondContact O-N 2.87Å; L94-E96 VanDerWaalsContact C-N 3.28Å; L94-E96 PolarHBondContact O-N 2.87Å; L94-L97 PolarHBondContact O-N 3.26Å; L94-A98 WeakPolarHBondContact O-CB 3.37Å; L94-A98 PolarHBondContact O-N 2.74Å
95L98.3Very high97.3Very high35 Ų3538 Ų3818%0.18318%0.181CC..Hα-helixtrans-62.3-38179.7-62.5-178.4000111.3F20 L91 M92 R99 I107 I140 F141F20-L95 HydrophobicContact CE1-CD2 3.68Å; F20-L95 HydrophobicContact CZ-CD2 4.04Å; L91-L95 HydrophobicContact CD1-CD1 4.35Å; L91-L95 HydrophobicContact CD1-CD2 4.3Å; L91-L95 HydrophobicContact CD1-CG 4.15Å; L91-L95 HydrophobicContact CG-CD1 4.47Å; L91-L95 WeakPolarHBondContact O-CG 3.45Å; L91-L95 PolarHBondContact O-N 2.87Å; M92-L95 PolarHBondContact O-N 2.9Å; M92-L95 HydrophobicContact SD-CD1 4.22Å; L95-R99 WeakPolarHBondContact O-CB 3.06Å; L95-R99 PolarHBondContact O-N 3.43Å; L95-I107 HydrophobicContact CD2-CD1 3.8Å; L95-I107 HydrophobicContact CD2-CG1 4.31Å; L95-I140 HydrophobicContact CD1-CG2 4.3Å; L95-F141 HydrophobicContact CD1-CE1 4.44Å; L95-F141 HydrophobicContact CD1-CZ 4.15Å
96E97.9Very high97.2Very high88 Ų8839.3 Ų39.341%0.41119%0.192SC..Hα-helixtrans-65-47.8175.7-70.6174.216900111.8M92 P93 L94 A98 R99 E100M92-E96 WeakPolarHBondContact O-CG 3.35Å; M92-E96 PolarHBondContact O-N 3.09Å; P93-E96 PolarHBondContact O-N 2.62Å; L94-E96 VanDerWaalsContact C-N 3.28Å; L94-E96 PolarHBondContact O-N 2.87Å; E96-A98 PolarHBondContact O-N 3.19Å; E96-R99 PolarHBondContact O-N 2.87Å; E96-E100 WeakPolarHBondContact O-CB 3.21Å; E96-E100 WeakPolarHBondContact O-CG 3.15Å; E96-E100 PolarHBondContact O-N 3.32Å
97L98Very high97Very high18 Ų1840.8 Ų40.89%0.09420%0.2CC..Hα-helixtrans-60.4-44.6176.3-70.6176000112I35 E39 W40 L43 P93 L94 R99 E100 Y101I35-L97 HydrophobicContact CD1-CB 4.11Å; E39-L97 HydrophobicContact CB-CD1 4.1Å; E39-L97 HydrophobicContact CB-CD2 3.87Å; E39-L97 HydrophobicContact CG-CD2 4.01Å; W40-L97 HydrophobicContact CE3-CD1 4.4Å; W40-L97 HydrophobicContact CZ3-CD1 4.18Å; L43-L97 HydrophobicContact CB-CD1 4.39Å; L43-L97 HydrophobicContact CD1-CD1 3.78Å; P93-L97 WeakPolarHBondContact O-CG 3.3Å; P93-L97 PolarHBondContact O-N 3.01Å; L94-L97 PolarHBondContact O-N 3.26Å; L97-R99 VanDerWaalsContact C-N 3.3Å; L97-R99 PolarHBondContact O-N 3.46Å; L97-E100 PolarHBondContact O-N 2.69Å; L97-Y101 HydrophobicContact CD2-CD2 4Å; L97-Y101 HydrophobicContact CD2-CE2 3.74Å; L97-Y101 WeakPolarHBondContact O-CB 3.38Å; L97-Y101 PolarHBondContact O-N 3.01Å
98A98.1Very high96.8Very high0 Ų042 Ų420%021%0.205CC..Hα-helixtrans-60.8-40.2177.800000111.6F20 L32 L94 E96 C102 G103 F104F20-A98 HydrophobicContact CD1-CB 3.81Å; F20-A98 HydrophobicContact CE1-CB 3.43Å; F20-A98 VanDerWaalsContact CE1-CB 3.43Å; F20-A98 HydrophobicContact CE2-CB 4.43Å; F20-A98 HydrophobicContact CG-CB 4.44Å; F20-A98 HydrophobicContact CZ-CB 3.78Å; L32-A98 HydrophobicContact CD2-CB 3.92Å; L94-A98 WeakPolarHBondContact O-CB 3.37Å; L94-A98 PolarHBondContact O-N 2.74Å; E96-A98 PolarHBondContact O-N 3.19Å; A98-C102 CarbonylContact O-C 3.56Å; A98-C102 WeakPolarHBondContact O-CA 3.47Å; A98-C102 WeakPolarHBondContact O-CB 3.29Å; A98-C102 PolarHBondContact O-N 3.08Å; A98-C102 VanDerWaalsContact O-N 3.15Å; A98-G103 PolarHBondContact O-N 3.32Å; A98-F104 HydrophobicContact CB-CB 4.37Å; A98-F104 HydrophobicContact CB-CD2 4.3Å; A98-F104 PolarHBondContact O-N 3.24Å
99R96.8Very high96.5Very high138 Ų13842 Ų4252%0.52121%0.205SC..Hα-helixtrans-68.1-49.3176.1-175.1-177.266-163.1-4.5112.1L95 E96 L97 G103 F104L95-R99 WeakPolarHBondContact O-CB 3.06Å; L95-R99 PolarHBondContact O-N 3.43Å; E96-R99 PolarHBondContact O-N 2.87Å; L97-R99 VanDerWaalsContact C-N 3.3Å; L97-R99 PolarHBondContact O-N 3.46Å; R99-G103 VanDerWaalsContact O-CA 3.24Å; R99-G103 WeakPolarHBondContact O-CA 3.29Å; R99-G103 PolarHBondContact O-N 3.18Å; R99-F104 VanDerWaalsContact CA-O 3.3Å; R99-F104 WeakPolarHBondContact CA-O 3.04Å
100E95.8Very high96.5Very high132 Ų13238.2 Ų38.262%0.61719%0.188SC*.Hα-helixtrans-71.8-46.6-171.4-72.7-179.5-174.900113E96 L97E96-E100 WeakPolarHBondContact O-CB 3.21Å; E96-E100 WeakPolarHBondContact O-CG 3.15Å; E96-E100 PolarHBondContact O-N 3.32Å; L97-E100 PolarHBondContact O-N 2.69Å
101Y96.1Very high96.6Very high68 Ų6838.9 Ų38.927%0.26719%0.191SC..Hα-helixtrans-84.5-36.9-177.8-75.7-88000112.5T29 I35 P36 E39 L97T29-Y101 PolarHBondContact OG1-O 3.39Å; I35-Y101 HydrophobicContact CG1-CD2 4.36Å; I35-Y101 HydrophobicContact CG1-CG 4.07Å; P36-Y101 HydrophobicContact CG-CD1 4.35Å; P36-Y101 HydrophobicContact CG-CE1 3.65Å; E39-Y101 HydrophobicContact CG-CE2 3.91Å; E39-Y101 WeakPolarHBondContact CG-OH 3.43Å; E39-Y101 PolarHBondContact OE1-OH 2.97Å; L97-Y101 HydrophobicContact CD2-CD2 4Å; L97-Y101 HydrophobicContact CD2-CE2 3.74Å; L97-Y101 WeakPolarHBondContact O-CB 3.38Å; L97-Y101 PolarHBondContact O-N 3.01Å
102C96.9Very high96.6Very high0 Ų038.9 Ų38.90%019%0.191CC..Hα-helixtrans-108.9-13.9-167.8-44.70000113.2G28 T29 G30 D31 A98 F104G28-C102 CarbonylContact C-O 3.59Å; T29-C102 PolarHBondContact N-O 3.24Å; G30-C102 WeakPolarHBondContact CA-O 3.39Å; G30-C102 PolarHBondContact N-O 2.62Å; D31-C102 PolarHBondContact O-SG 2.78Å; D31-C102 VanDerWaalsContact O-SG 3.36Å; A98-C102 CarbonylContact O-C 3.56Å; A98-C102 WeakPolarHBondContact O-CA 3.47Å; A98-C102 WeakPolarHBondContact O-CB 3.29Å; A98-C102 PolarHBondContact O-N 3.08Å; A98-C102 VanDerWaalsContact O-N 3.15Å; C102-F104 HydrophobicContact CB-CD2 3.33Å; C102-F104 HydrophobicContact CB-CE2 3.41Å; C102-F104 VanDerWaalsContact CB-CE2 3.41Å; C102-F104 HydrophobicContact CB-CG 4.14Å; C102-F104 HydrophobicContact CB-CZ 4.3Å; C102-F104 PolarHBondContact O-N 2.98Å
103G96.8Very high96.7Very high11 Ų1135.2 Ų35.211%0.11317%0.173CC..  trans71.818-17600000113.6R22 A98 R99 D105R22-G103 WeakPolarHBondContact CB-O 3.38Å; A98-G103 PolarHBondContact O-N 3.32Å; R99-G103 VanDerWaalsContact O-CA 3.24Å; R99-G103 WeakPolarHBondContact O-CA 3.29Å; R99-G103 PolarHBondContact O-N 3.18Å; G103-D105 PolarHBondContact O-N 2.87Å
104F97.2Very high96.7Very high8 Ų833.9 Ų33.94%0.03516%0.163CC..  trans-74.4115.8175-66.1-52.3000110.2F20 S21 R22 G30 L32 K74 R75 A98 R99 C102F20-F104 HydrophobicContact CB-CB 3.87Å; F20-F104 HydrophobicContact CB-CD1 3.85Å; F20-F104 HydrophobicContact CB-CD2 3.67Å; F20-F104 HydrophobicContact CB-CE1 4.29Å; F20-F104 HydrophobicContact CB-CE2 4.15Å; F20-F104 HydrophobicContact CB-CG 3.53Å; F20-F104 HydrophobicContact CB-CZ 4.42Å; F20-F104 HydrophobicContact CD1-CB 3.93Å; F20-F104 HydrophobicContact CD1-CD2 4.46Å; F20-F104 HydrophobicContact CD1-CG 4.39Å; F20-F104 HydrophobicContact CG-CB 4.23Å; F20-F104 HydrophobicContact CG-CD2 4.08Å; F20-F104 HydrophobicContact CG-CG 4.2Å; S21-F104 WeakPolarHBondContact O-CA 3.44Å; R22-F104 HydrophobicContact CB-CD1 4.11Å; R22-F104 HydrophobicContact CG-CD1 4.43Å; G30-F104 WeakPolarHBondContact O-CZ 3.47Å; L32-F104 HydrophobicContact CD2-CD2 3.72Å; L32-F104 HydrophobicContact CD2-CE2 3.65Å; L32-F104 HydrophobicContact CG-CD2 4.34Å; L32-F104 HydrophobicContact CG-CE2 3.77Å; K74-F104 WeakPolarHBondContact O-CZ 3.49Å; R75-F104 HydrophobicContact CG-CE1 4.03Å; R75-F104 HydrophobicContact CG-CZ 3.83Å; A98-F104 HydrophobicContact CB-CB 4.37Å; A98-F104 HydrophobicContact CB-CD2 4.3Å; A98-F104 PolarHBondContact O-N 3.24Å; R99-F104 VanDerWaalsContact CA-O 3.3Å; R99-F104 WeakPolarHBondContact CA-O 3.04Å; C102-F104 HydrophobicContact CB-CD2 3.33Å; C102-F104 HydrophobicContact CB-CE2 3.41Å; C102-F104 VanDerWaalsContact CB-CE2 3.41Å; C102-F104 HydrophobicContact CB-CG 4.14Å; C102-F104 HydrophobicContact CB-CZ 4.3Å; C102-F104 PolarHBondContact O-N 2.98Å
105D94.4Very high96.8Very high84 Ų8434.3 Ų34.345%0.44917%0.165SC..  trans-114.20.8-176.661.4-3.9000113.5S21 R22 Q23 G103S21-D105 PolarHBondContact O-N 3.41Å; R22-D105 VanDerWaalsContact CA-OD1 3.28Å; R22-D105 WeakPolarHBondContact CA-OD1 3.41Å; Q23-D105 PolarHBondContact N-OD1 3.26Å; Q23-D105 VanDerWaalsContact N-OD1 3.14Å; G103-D105 PolarHBondContact O-N 2.87Å
106A93.4Very high96.8Very high32 Ų3234.2 Ų34.226%0.26417%0.165SC..EExtended strand (participates in β ladder)trans-141.3148.617700000111.9S21S21-A106 PolarHBondContact N-O 2.82Å; S21-A106 PolarHBondContact O-N 3.29Å; S21-A106 VanDerWaalsContact O-O 3.1Å; S21-A106 VanDerWaalsContact OG-CB 3.32Å; S21-A106 WeakPolarHBondContact OG-CB 3.45Å; S21-A106 PolarHBondContact OG-O 3.42Å
107I94.1Very high96.8Very high43 Ų4330.3 Ų30.322%0.22115%0.147CC..EExtended strand (participates in β ladder)trans-93124.8170.1-64.4-178.4000107.8V18 L95 N109 F110 F141 L162V18-I107 HydrophobicContact CG1-CD1 4.38Å; V18-I107 HydrophobicContact CG1-CG1 4.41Å; V18-I107 HydrophobicContact CG1-CG2 4.21Å; L95-I107 HydrophobicContact CD2-CD1 3.8Å; L95-I107 HydrophobicContact CD2-CG1 4.31Å; I107-N109 WeakPolarHBondContact CG2-O 3.45Å; I107-F110 HydrophobicContact CG2-CB 3.98Å; I107-F141 HydrophobicContact CD1-CD1 4.45Å; I107-F141 HydrophobicContact CD1-CE1 3.32Å; I107-F141 HydrophobicContact CD1-CZ 3.4Å; I107-L162 HydrophobicContact CG2-CD1 4.02Å
108E92.7Very high96.8Very high24 Ų2432.9 Ų32.911%0.11216%0.159CC..EExtended strand (participates in β ladder)trans-79.4-47.9175.8-175178166.700110.8W19 R75 L164 W168W19-E108 HydrophobicContact CB-CB 3.9Å; W19-E108 HydrophobicContact CB-CG 4.38Å; W19-E108 WeakPolarHBondContact O-CB 3.41Å; W19-E108 PolarHBondContact O-N 2.88Å; R75-E108 IonicContact CZ-OE2 3.73Å; R75-E108 VanDerWaalsContact CZ-OE2 3.26Å; R75-E108 IonicContact NE-OE2 3.85Å; R75-E108 IonicContact NH2-OE2 3.77Å; R75-E108 PolarHBondContact NH2-OE2 2.86Å; E108-L164 WeakPolarHBondContact O-CD1 3.38Å; E108-W168 HydrophobicContact CB-CZ2 4.35Å; E108-W168 HydrophobicContact CG-CH2 3.41Å; E108-W168 VanDerWaalsContact CG-CH2 3.41Å; E108-W168 HydrophobicContact CG-CZ2 2.98Å; E108-W168 WeakPolarHBondContact OE1-CH2 3.49Å; E108-W168 WeakPolarHBondContact OE1-CZ2 3.25Å
109N93.6Very high96.8Very high1 Ų136.5 Ų36.51%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-153.5153.8177.4-151-15.7000110.4W19 I107 F111 Y318W19-N109 HydrophobicContact CB-CB 4.01Å; W19-N109 HydrophobicContact CG-CB 4.22Å; W19-N109 PolarHBondContact N-O 3.37Å; W19-N109 PolarHBondContact O-N 3.02Å; I107-N109 WeakPolarHBondContact CG2-O 3.45Å; N109-F111 HydrophobicContact CB-CE2 4.15Å; N109-F111 VanDerWaalsContact CG-CZ 3.48Å; N109-F111 WeakPolarHBondContact ND2-CE2 3.24Å; N109-F111 VanDerWaalsContact ND2-CZ 3.3Å; N109-F111 WeakPolarHBondContact ND2-CZ 3.28Å; N109-F111 WeakPolarHBondContact OD1-CE2 3.36Å; N109-F111 VanDerWaalsContact OD1-CZ 3.24Å; N109-F111 WeakPolarHBondContact OD1-CZ 3.46Å; N109-Y318 VanDerWaalsContact ND2-CE2 3.3Å; N109-Y318 WeakPolarHBondContact ND2-CE2 3.43Å
110F97.6Very high96.8Very high0 Ų032.7 Ų32.70%017%0.168CC..EExtended strand (participates in β ladder)trans-149.2133.1-174.9177.9-82000110.9L16 E17 V18 L91 I107 L137 F141 F160 T161 L162L16-F110 HydrophobicContact CD1-CD2 4.26Å; L16-F110 HydrophobicContact CD1-CE1 4.5Å; L16-F110 HydrophobicContact CD1-CE2 3.42Å; L16-F110 VanDerWaalsContact CD1-CE2 3.42Å; L16-F110 HydrophobicContact CD1-CZ 3.55Å; E17-F110 WeakPolarHBondContact O-CA 3.32Å; V18-F110 HydrophobicContact CG1-CD2 4.35Å; V18-F110 HydrophobicContact CG2-CD2 3.77Å; V18-F110 HydrophobicContact CG2-CE2 3.98Å; L91-F110 HydrophobicContact CD1-CE2 3.77Å; L91-F110 HydrophobicContact CD2-CE2 3.99Å; L91-F110 HydrophobicContact CD2-CZ 4.03Å; I107-F110 HydrophobicContact CG2-CB 3.98Å; F110-L137 HydrophobicContact CE1-CD2 4.15Å; F110-L137 HydrophobicContact CZ-CD2 3.74Å; F110-F141 HydrophobicContact CD1-CE2 4.48Å; F110-F141 AromaticContact CD2-CE2 3.91Å; F110-F141 HydrophobicContact CD2-CE2 3.91Å; F110-F141 HydrophobicContact CD2-CZ 4.12Å; F110-F141 HydrophobicContact CE1-CE2 4.24Å; F110-F141 AromaticContact CE2-CE2 3.62Å; F110-F141 HydrophobicContact CE2-CE2 3.62Å; F110-F141 HydrophobicContact CE2-CZ 4.08Å; F110-F141 HydrophobicContact CG-CE2 4.35Å; F110-F141 AromaticContact CZ-CE2 3.82Å; F110-F141 HydrophobicContact CZ-CE2 3.82Å; F110-F160 HydrophobicContact CD1-CD1 4.18Å; F110-F160 AromaticContact CE1-CD1 3.81Å; F110-F160 HydrophobicContact CE1-CD1 3.81Å; F110-F160 HydrophobicContact CE1-CE1 4.23Å; F110-T161 VanDerWaalsContact O-CA 3.32Å; F110-T161 WeakPolarHBondContact O-CA 3.49Å; F110-T161 WeakPolarHBondContact O-CB 3.25Å; F110-T161 PolarHBondContact O-OG1 3.32Å; F110-L162 HydrophobicContact CB-CD1 3.66Å; F110-L162 HydrophobicContact CB-CG 3.82Å; F110-L162 HydrophobicContact CD1-CG 4.35Å; F110-L162 HydrophobicContact CG-CD1 4.31Å; F110-L162 HydrophobicContact CG-CG 4.31Å
111F98.6Very high96.9Very high15 Ų1532.7 Ų32.77%0.06618%0.177CC..EExtended strand (participates in β ladder)trans-137.3121.2175.1-53.9-84.7000109L16 E17 N109 L159 T161 F285 Y318L16-F111 WeakPolarHBondContact CA-O 3.27Å; E17-F111 HydrophobicContact CB-CB 4.43Å; E17-F111 PolarHBondContact N-O 3.23Å; E17-F111 PolarHBondContact O-N 3.29Å; N109-F111 HydrophobicContact CB-CE2 4.15Å; N109-F111 VanDerWaalsContact CG-CZ 3.48Å; N109-F111 WeakPolarHBondContact ND2-CE2 3.24Å; N109-F111 VanDerWaalsContact ND2-CZ 3.3Å; N109-F111 WeakPolarHBondContact ND2-CZ 3.28Å; N109-F111 WeakPolarHBondContact OD1-CE2 3.36Å; N109-F111 VanDerWaalsContact OD1-CZ 3.24Å; N109-F111 WeakPolarHBondContact OD1-CZ 3.46Å; F111-L159 HydrophobicContact CB-CD1 4.28Å; F111-L159 HydrophobicContact CD1-CD1 4.06Å; F111-T161 WeakPolarHBondContact CE1-OG1 3.05Å; F111-F285 HydrophobicContact CD1-CE1 4.05Å; F111-F285 HydrophobicContact CD1-CZ 4.29Å; F111-F285 HydrophobicContact CE1-CD1 4.34Å; F111-F285 AromaticContact CE1-CE1 3.83Å; F111-F285 HydrophobicContact CE1-CE1 3.83Å; F111-Y318 HydrophobicContact CZ-CD2 4.03Å; F111-Y318 HydrophobicContact CZ-CE2 4.07Å
112Y98.9Very high96.9Very high0 Ų033.6 Ų33.60%018%0.183CC..EExtended strand (participates in β ladder)trans-111.6126161.4172.2-105.9000108.2K14 L15 L87 L88 H127 E133 L137 L159 F160K14-Y112 HydrophobicContact CB-CE2 4.23Å; L15-Y112 CarbonylContact O-C 3.58Å; L15-Y112 WeakPolarHBondContact O-CA 3.31Å; L15-Y112 WeakPolarHBondContact O-CD2 3.34Å; L87-Y112 HydrophobicContact CD2-CD2 4.09Å; L87-Y112 HydrophobicContact CD2-CE2 3.93Å; L88-Y112 HydrophobicContact CD1-CD1 4.42Å; L88-Y112 HydrophobicContact CD1-CE1 4.07Å; L88-Y112 HydrophobicContact CD1-CE2 4.32Å; L88-Y112 HydrophobicContact CD2-CD2 3.77Å; L88-Y112 HydrophobicContact CD2-CE2 4.03Å; L88-Y112 HydrophobicContact CD2-CG 4.04Å; L88-Y112 HydrophobicContact CG-CD2 4.24Å; L88-Y112 HydrophobicContact CG-CE2 3.97Å; Y112-H127 PolarHBondContact OH-CE1 2.87Å; Y112-H127 VanDerWaalsContact OH-CE1 3.26Å; Y112-H127 PolarHBondContact OH-ND1 2.81Å; Y112-H127 VanDerWaalsContact OH-ND1 3.14Å; Y112-E133 HydrophobicContact CE1-CB 3.96Å; Y112-E133 HydrophobicContact CE1-CG 4.16Å; Y112-E133 PolarHBondContact OH-OE1 2.9Å; Y112-L137 HydrophobicContact CD1-CD1 3.75Å; Y112-L137 HydrophobicContact CG-CD1 4Å; Y112-L159 CarbonylContact O-C 3.48Å; Y112-L159 WeakPolarHBondContact O-CA 2.82Å; Y112-F160 HydrophobicContact CD1-CB 4.43Å; Y112-F160 PolarHBondContact N-O 2.77Å; Y112-F160 PolarHBondContact O-N 2.95Å
113S98.9Very high97Very high4 Ų434 Ų343%0.02819%0.185CC..EExtended strand (participates in β ladder)trans-150.3160.6-177.265.90000113.6L15 W157 Y158L15-S113 PolarHBondContact N-O 3.01Å; L15-S113 PolarHBondContact O-N 3.09Å; S113-W157 VanDerWaalsContact OG-CZ2 3.23Å; S113-W157 WeakPolarHBondContact OG-CZ2 3.49Å; S113-Y158 WeakPolarHBondContact CA-O 3.5Å; S113-Y158 WeakPolarHBondContact CB-O 3.44Å
114R98.9Very high97Very high9 Ų939 Ų393%0.03421%0.206CC..EExtended strand (participates in β ladder)trans-167.2155.7172.955.6175-171.874.87.4111.7E13 E133 W157 Y158E13-R114 WeakPolarHBondContact O-CB 3.29Å; R114-E133 IonicContact CZ-OE1 2.82Å; R114-E133 IonicContact CZ-OE2 3Å; R114-E133 VanDerWaalsContact NE-CD 3.27Å; R114-E133 IonicContact NE-OE1 3.79Å; R114-E133 PolarHBondContact NE-OE1 2.71Å; R114-E133 IonicContact NE-OE2 3.85Å; R114-E133 PolarHBondContact NE-OE2 2.86Å; R114-E133 IonicContact NH2-OE1 3.82Å; R114-E133 IonicContact NH2-OE2 2.79Å; R114-E133 PolarHBondContact NH2-OE2 2.91Å; R114-W157 VanDerWaalsContact C-CD1 3.48Å; R114-Y158 HydrophobicContact CG-CD2 4.49Å; R114-Y158 PolarHBondContact N-O 2.79Å; R114-Y158 PolarHBondContact O-N 2.96Å
115K98.8Very high97Very high10 Ų1043.3 Ų43.34%0.04323%0.225CC..EExtended strand (participates in β ladder)trans-69.7159.2162.2-168.9-174.3174-60.80110.1T12 F117 D155 C156 L180 Y252 V281T12-K115 HydrophobicContact CG2-CB 3.8Å; K115-F117 PolarHBondContact O-N 2.77Å; K115-D155 WeakPolarHBondContact CE-OD1 3.33Å; K115-D155 IonicContact NZ-OD1 3.7Å; K115-D155 PolarHBondContact NZ-OD1 2.86Å; K115-C156 WeakPolarHBondContact CG-O 3.12Å; K115-L180 HydrophobicContact CB-CD1 3.86Å; K115-L180 HydrophobicContact CD-CB 4.32Å; K115-L180 HydrophobicContact CD-CD1 4.4Å; K115-Y252 HydrophobicContact CD-CE2 4.37Å; K115-V281 HydrophobicContact CD-CG2 4.1Å
116N98.7Very high97.2Very high33 Ų3339.3 Ų39.318%0.17620%0.203CC..PPolyproline II helixtrans-57.8131.8166.672.7-67.5000111.3D155 C156 Y158N116-D155 WeakPolarHBondContact OD1-CA 3.4Å; N116-C156 PolarHBondContact N-O 2.93Å; N116-C156 PolarHBondContact OD1-N 2.99Å; N116-C156 VanDerWaalsContact OD1-N 3.08Å; N116-C156 PolarHBondContact OD1-O 3.06Å; N116-C156 VanDerWaalsContact OD1-O 3.1Å; N116-Y158 HydrophobicContact CB-CE2 3.96Å
117F98.7Very high97.4Very high7 Ų737.8 Ų37.83%0.03119%0.191CC..PPolyproline II helixtrans-64.5152.8177.4-62.2-54.3000112E10 T12 K14 K115 P120 Q123E10-F117 HydrophobicContact CG-CB 4.49Å; E10-F117 HydrophobicContact CG-CD1 3.79Å; E10-F117 HydrophobicContact CG-CE1 4.49Å; E10-F117 HydrophobicContact CG-CG 4.48Å; T12-F117 HydrophobicContact CG2-CD1 4.03Å; T12-F117 HydrophobicContact CG2-CE1 4.43Å; K14-F117 HydrophobicContact CD-CZ 4.5Å; K14-F117 HydrophobicContact CG-CE1 4.29Å; K14-F117 HydrophobicContact CG-CZ 4.04Å; K115-F117 PolarHBondContact O-N 2.77Å; F117-P120 HydrophobicContact CB-CB 4.49Å; F117-P120 HydrophobicContact CB-CG 4.07Å; F117-Q123 HydrophobicContact CD2-CG 3.69Å; F117-Q123 HydrophobicContact CE2-CG 3.67Å; F117-Q123 HydrophobicContact CG-CG 4.19Å; F117-Q123 HydrophobicContact CZ-CG 4.16Å
118M97.8Very high97.6Very high72 Ų7241.7 Ų41.736%0.35520%0.203SC..SBendtrans-70.9-41.9170-63.3-168.9-173.200111.2F8 E10 F250 Y252F8-M118 HydrophobicContact CE2-CB 4.18Å; F8-M118 HydrophobicContact CZ-CB 4.02Å; E10-M118 VanDerWaalsContact CD-N 3.33Å; E10-M118 PolarHBondContact OE1-N 3.4Å; E10-M118 PolarHBondContact OE2-N 3.31Å; M118-F250 HydrophobicContact SD-CB 3.8Å; M118-Y252 HydrophobicContact CE-CD2 3.98Å; M118-Y252 HydrophobicContact CE-CG 4.48Å
119K97.8Very high97.9Very high75 Ų7544.1 Ų44.133%0.32622%0.216SC..  trans-127.479.3175.1-65-168.3-174.7175.20111.5F8 E10 T121 H122F8-K119 HydrophobicContact CD1-CB 4.47Å; F8-K119 HydrophobicContact CD1-CD 3.77Å; F8-K119 HydrophobicContact CD1-CG 4.37Å; F8-K119 HydrophobicContact CD2-CD 3.92Å; F8-K119 HydrophobicContact CD2-CG 4.39Å; F8-K119 HydrophobicContact CE1-CB 3.73Å; F8-K119 HydrophobicContact CE1-CD 3.79Å; F8-K119 HydrophobicContact CE1-CG 3.88Å; F8-K119 HydrophobicContact CE2-CD 3.95Å; F8-K119 HydrophobicContact CE2-CG 3.91Å; F8-K119 HydrophobicContact CG-CD 3.83Å; F8-K119 HydrophobicContact CZ-CB 3.79Å; F8-K119 HydrophobicContact CZ-CD 3.89Å; F8-K119 HydrophobicContact CZ-CG 3.63Å; E10-K119 PolarHBondContact OE2-N 2.94Å; K119-T121 PolarHBondContact O-N 3.04Å; K119-T121 VanDerWaalsContact O-N 3.09Å; K119-H122 HydrophobicContact CB-CB 4.34Å; K119-H122 WeakPolarHBondContact CD-NE2 3.19Å; K119-H122 WeakPolarHBondContact O-CB 3.33Å; K119-H122 PolarHBondContact O-N 2.83Å
120P97.4Very high98.1Very high59 Ų5945.3 Ų45.338%0.38322%0.221SC..G310 helixtrans-54.4-31.6178.3-23.431.1000114.1F117 H122 Q123F117-P120 HydrophobicContact CB-CB 4.49Å; F117-P120 HydrophobicContact CB-CG 4.07Å; P120-H122 PolarHBondContact O-N 3.23Å; P120-Q123 WeakPolarHBondContact O-CB 3.29Å; P120-Q123 PolarHBondContact O-N 3.18Å; P120-Q123 VanDerWaalsContact O-N 3.15Å
121T97.1Very high98.2Very high131 Ų13150.7 Ų50.780%0.80425%0.246SC*.G310 helixtrans-68.9-12.4-179.754.70000114.4K119K119-T121 PolarHBondContact O-N 3.04Å; K119-T121 VanDerWaalsContact O-N 3.09Å
122H97.1Very high98.2Very high87 Ų8750.9 Ų50.940%0.40325%0.248SC..G310 helixtrans-87.6-12.3175.1-73.5-145.2000112.5F8 K119 P120F8-H122 AromaticContact CD1-CE1 3.97Å; F8-H122 AromaticContact CD1-ND1 3.59Å; K119-H122 HydrophobicContact CB-CB 4.34Å; K119-H122 WeakPolarHBondContact CD-NE2 3.19Å; K119-H122 WeakPolarHBondContact O-CB 3.33Å; K119-H122 PolarHBondContact O-N 2.83Å; P120-H122 PolarHBondContact O-N 3.23Å
123Q98.1Very high98.2Very high8 Ų850.9 Ų50.94%0.03725%0.248CC..  trans-79.3150.7178-59.9-65.5-44.900110.1K14 G83 F117 P120 H127 R128K14-Q123 VanDerWaalsContact CE-OE1 3.31Å; G83-Q123 PolarHBondContact O-NE2 3.21Å; G83-Q123 PolarHBondContact O-OE1 3.17Å; F117-Q123 HydrophobicContact CD2-CG 3.69Å; F117-Q123 HydrophobicContact CE2-CG 3.67Å; F117-Q123 HydrophobicContact CG-CG 4.19Å; F117-Q123 HydrophobicContact CZ-CG 4.16Å; P120-Q123 WeakPolarHBondContact O-CB 3.29Å; P120-Q123 PolarHBondContact O-N 3.18Å; P120-Q123 VanDerWaalsContact O-N 3.15Å; Q123-H127 HydrophobicContact CB-CB 4.19Å; Q123-H127 VanDerWaalsContact CB-O 3.29Å; Q123-H127 WeakPolarHBondContact CB-O 3.35Å; Q123-R128 WeakPolarHBondContact O-CG 3.27Å
124E97.1Very high98.2Very high118 Ų11851.7 Ų51.755%0.55125%0.252SS*.  trans-105.7172.5177-55-173.616800110.8L86 H127 R128L86-E124 HydrophobicContact CD2-CB 3.95Å; E124-H127 CarbonylContact O-C 3.55Å; E124-H127 VanDerWaalsContact O-CA 3.32Å; E124-H127 WeakPolarHBondContact O-CA 3.3Å; E124-H127 WeakPolarHBondContact O-CB 3.23Å; E124-H127 PolarHBondContact O-N 2.93Å; E124-R128 PolarHBondContact O-N 2.95Å
125F97.5Very high98.2Very high97 Ų9756.2 Ų56.243%0.42527%0.274SS..THydrogen-bonded Turntrans-60135.7175.7174.8-89.8000111.2Q89 E132 F136Q89-F125 PolarHBondContact NE2-O 3.44Å; F125-E132 WeakPolarHBondContact CA-OE1 3.36Å; F125-E132 HydrophobicContact CD2-CG 3.9Å; F125-E132 HydrophobicContact CE2-CG 4.07Å; F125-F136 HydrophobicContact CE1-CD2 4.15Å; F125-F136 HydrophobicContact CE1-CE2 4.32Å; F125-F136 AromaticContact CZ-CD2 3.87Å; F125-F136 HydrophobicContact CZ-CD2 3.87Å; F125-F136 HydrophobicContact CZ-CE2 4.46Å
126P97.6Very high98.2Very high0 Ų057.5 Ų57.50%028%0.279CS..THydrogen-bonded Turncis-95.7246.838.6-37.9000115L88 E132 E133 F136L88-P126 HydrophobicContact CB-CG 3.85Å; L88-P126 HydrophobicContact CD1-CG 4.31Å; P126-E132 WeakPolarHBondContact CA-OE1 3.19Å; P126-E132 HydrophobicContact CB-CG 4.45Å; P126-E132 WeakPolarHBondContact O-CG 3.09Å; P126-E133 WeakPolarHBondContact O-CG 3.47Å; P126-E133 PolarHBondContact O-N 2.88Å; P126-F136 HydrophobicContact CB-CB 3.8Å; P126-F136 HydrophobicContact CB-CD2 3.64Å; P126-F136 HydrophobicContact CB-CE2 4.36Å; P126-F136 HydrophobicContact CB-CG 3.73Å; P126-F136 HydrophobicContact CG-CB 4.44Å; P126-F136 HydrophobicContact CG-CD1 4.28Å; P126-F136 HydrophobicContact CG-CD2 3.9Å; P126-F136 HydrophobicContact CG-CE2 4.19Å; P126-F136 HydrophobicContact CG-CG 3.94Å
127H98.6Very high98.2Very high0 Ų055.9 Ų55.90%027%0.271CS..  trans-107.912.3-168.8-64.9-69.5000115.2L87 L88 Y112 Q123 E124 N129 E132 E133L87-H127 PolarHBondContact N-NE2 2.99Å; L88-H127 VanDerWaalsContact CG-CE1 3.5Å; L88-H127 WeakPolarHBondContact CG-CE1 3.2Å; L88-H127 PolarHBondContact N-NE2 2.69Å; Y112-H127 PolarHBondContact OH-CE1 2.87Å; Y112-H127 VanDerWaalsContact OH-CE1 3.26Å; Y112-H127 PolarHBondContact OH-ND1 2.81Å; Y112-H127 VanDerWaalsContact OH-ND1 3.14Å; Q123-H127 HydrophobicContact CB-CB 4.19Å; Q123-H127 VanDerWaalsContact CB-O 3.29Å; Q123-H127 WeakPolarHBondContact CB-O 3.35Å; E124-H127 CarbonylContact O-C 3.55Å; E124-H127 VanDerWaalsContact O-CA 3.32Å; E124-H127 WeakPolarHBondContact O-CA 3.3Å; E124-H127 WeakPolarHBondContact O-CB 3.23Å; E124-H127 PolarHBondContact O-N 2.93Å; H127-N129 PolarHBondContact O-N 2.8Å; H127-E132 PolarHBondContact N-OE1 2.61Å; H127-E133 IonicContact CE1-OE1 2.87Å; H127-E133 IonicContact CG-OE1 2.69Å; H127-E133 IonicContact ND1-OE1 3.17Å; H127-E133 PolarHBondContact ND1-OE1 3.18Å
128R98.4Very high98.1Very high126 Ų12658.3 Ų58.348%0.47529%0.289SS..SBendtrans-63.7-29.2-176.4-68.3178.4-70.8-170.40.9112.9Q123 E124 E132Q123-R128 WeakPolarHBondContact O-CG 3.27Å; E124-R128 PolarHBondContact O-N 2.95Å; R128-E132 WeakPolarHBondContact CB-OE1 3.47Å; R128-E132 WeakPolarHBondContact CG-OE1 3.2Å; R128-E132 IonicContact CZ-OE1 3.09Å; R128-E132 IonicContact CZ-OE2 3.77Å; R128-E132 PolarHBondContact N-OE1 2.91Å; R128-E132 VanDerWaalsContact NE-CD 3.32Å; R128-E132 IonicContact NE-OE1 2.81Å; R128-E132 PolarHBondContact NE-OE1 2.83Å; R128-E132 IonicContact NE-OE2 3.43Å; R128-E132 PolarHBondContact NE-OE2 2.73Å; R128-E132 IonicContact NH2-OE1 2.64Å; R128-E132 IonicContact NH2-OE2 3.26Å; R128-E132 PolarHBondContact NH2-OE2 3.26Å
129N98.6Very high98.1Very high74 Ų7462.3 Ų62.340%0.39631%0.306SS..SBendtrans-163168.3175.660.677.4000109.8H127 Q131 E132 E133H127-N129 PolarHBondContact O-N 2.8Å; N129-Q131 PolarHBondContact O-N 3.02Å; N129-Q131 WeakPolarHBondContact OD1-CB 3.5Å; N129-Q131 PolarHBondContact OD1-N 3.34Å; N129-Q131 VanDerWaalsContact OD1-N 3.1Å; N129-E132 PolarHBondContact O-N 3.29Å; N129-E132 PolarHBondContact OD1-N 3.25Å; N129-E133 WeakPolarHBondContact O-CG 3.22Å; N129-E133 PolarHBondContact O-N 2.89Å
130F98.8Very high98.1Very high26 Ų2660.7 Ų60.711%0.11430%0.301CS..Hα-helixtrans-69.4-30.6-176-171.1-124000113.9E132 E133 V134 A146 Y158 L159 F160F130-E132 VanDerWaalsContact C-N 3.32Å; F130-E132 PolarHBondContact O-N 3.09Å; F130-E133 VanDerWaalsContact CA-OE2 3.28Å; F130-E133 WeakPolarHBondContact CA-OE2 3.37Å; F130-E133 HydrophobicContact CD2-CB 4.31Å; F130-E133 WeakPolarHBondContact CD2-OE2 3.34Å; F130-E133 PolarHBondContact O-N 3.11Å; F130-V134 HydrophobicContact CD1-CG2 4.19Å; F130-V134 HydrophobicContact CD2-CG2 4.42Å; F130-V134 HydrophobicContact CE1-CG2 3.86Å; F130-V134 HydrophobicContact CE2-CG2 4.09Å; F130-V134 HydrophobicContact CG-CG2 4.45Å; F130-V134 HydrophobicContact CZ-CG2 3.78Å; F130-V134 WeakPolarHBondContact O-CG2 3.06Å; F130-V134 PolarHBondContact O-N 3.22Å; F130-A146 HydrophobicContact CE1-CB 3.99Å; F130-A146 HydrophobicContact CZ-CB 4.09Å; F130-Y158 HydrophobicContact CB-CD1 3.87Å; F130-Y158 HydrophobicContact CB-CD2 4.27Å; F130-Y158 HydrophobicContact CB-CE1 4.06Å; F130-Y158 HydrophobicContact CB-CE2 4.44Å; F130-Y158 HydrophobicContact CB-CG 3.97Å; F130-Y158 AromaticContact CD1-CD1 3.36Å; F130-Y158 HydrophobicContact CD1-CD1 3.36Å; F130-Y158 HydrophobicContact CD1-CE1 4.08Å; F130-Y158 AromaticContact CD1-CG 3.86Å; F130-Y158 HydrophobicContact CD1-CG 3.86Å; F130-Y158 HydrophobicContact CD2-CD1 4.28Å; F130-Y158 AromaticContact CD2-CG 3.92Å; F130-Y158 HydrophobicContact CD2-CG 3.92Å; F130-Y158 AromaticContact CE1-CD1 3.95Å; F130-Y158 HydrophobicContact CE1-CD1 3.95Å; F130-Y158 HydrophobicContact CE1-CG 4.34Å; F130-Y158 HydrophobicContact CE2-CG 4.43Å; F130-Y158 AromaticContact CG-CD1 3.57Å; F130-Y158 HydrophobicContact CG-CD1 3.57Å; F130-Y158 HydrophobicContact CG-CD2 4.35Å; F130-Y158 HydrophobicContact CG-CE1 4.24Å; F130-Y158 AromaticContact CG-CG 3.63Å; F130-Y158 HydrophobicContact CG-CG 3.63Å; F130-L159 WeakPolarHBondContact CZ-O 3.35Å; F130-F160 HydrophobicContact CZ-CB 4.4Å
131Q98.7Very high98Very high113 Ų11358.8 Ų58.853%0.52829%0.287SS..Hα-helixtrans-63.3-40.4176.3-179.759.942.400111.3N129 V134 E135N129-Q131 PolarHBondContact O-N 3.02Å; N129-Q131 WeakPolarHBondContact OD1-CB 3.5Å; N129-Q131 PolarHBondContact OD1-N 3.34Å; N129-Q131 VanDerWaalsContact OD1-N 3.1Å; Q131-V134 PolarHBondContact O-N 3.22Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.1Å; Q131-E135 PolarHBondContact NE2-OE1 3.22Å; Q131-E135 WeakPolarHBondContact O-CG 3.29Å; Q131-E135 PolarHBondContact O-N 2.84Å
132E98.8Very high97.8Very high20 Ų2058.7 Ų58.79%0.09329%0.289CS..Hα-helixtrans-64.3-40.6175.1-176.5170.6100.500112.6F125 P126 H127 R128 N129 F130 V134 E135 F136F125-E132 WeakPolarHBondContact CA-OE1 3.36Å; F125-E132 HydrophobicContact CD2-CG 3.9Å; F125-E132 HydrophobicContact CE2-CG 4.07Å; P126-E132 WeakPolarHBondContact CA-OE1 3.19Å; P126-E132 HydrophobicContact CB-CG 4.45Å; P126-E132 WeakPolarHBondContact O-CG 3.09Å; H127-E132 PolarHBondContact N-OE1 2.61Å; R128-E132 WeakPolarHBondContact CB-OE1 3.47Å; R128-E132 WeakPolarHBondContact CG-OE1 3.2Å; R128-E132 IonicContact CZ-OE1 3.09Å; R128-E132 IonicContact CZ-OE2 3.77Å; R128-E132 PolarHBondContact N-OE1 2.91Å; R128-E132 VanDerWaalsContact NE-CD 3.32Å; R128-E132 IonicContact NE-OE1 2.81Å; R128-E132 PolarHBondContact NE-OE1 2.83Å; R128-E132 IonicContact NE-OE2 3.43Å; R128-E132 PolarHBondContact NE-OE2 2.73Å; R128-E132 IonicContact NH2-OE1 2.64Å; R128-E132 IonicContact NH2-OE2 3.26Å; R128-E132 PolarHBondContact NH2-OE2 3.26Å; N129-E132 PolarHBondContact O-N 3.29Å; N129-E132 PolarHBondContact OD1-N 3.25Å; F130-E132 VanDerWaalsContact C-N 3.32Å; F130-E132 PolarHBondContact O-N 3.09Å; E132-V134 VanDerWaalsContact C-N 3.33Å; E132-V134 PolarHBondContact O-N 3.47Å; E132-E135 PolarHBondContact O-N 3.05Å; E132-F136 WeakPolarHBondContact O-CB 3.35Å; E132-F136 PolarHBondContact O-N 3.04Å
133E98.9Very high97.8Very high0 Ų057.7 Ų57.70%029%0.286CS..Hα-helixtrans-63.7-40.4175.7-65.3168.1135.400111.2L88 Y112 R114 P126 H127 N129 F130 F136 L137L88-E133 HydrophobicContact CD1-CB 3.98Å; L88-E133 HydrophobicContact CD1-CG 4.1Å; Y112-E133 HydrophobicContact CE1-CB 3.96Å; Y112-E133 HydrophobicContact CE1-CG 4.16Å; Y112-E133 PolarHBondContact OH-OE1 2.9Å; R114-E133 IonicContact CZ-OE1 2.82Å; R114-E133 IonicContact CZ-OE2 3Å; R114-E133 VanDerWaalsContact NE-CD 3.27Å; R114-E133 IonicContact NE-OE1 3.79Å; R114-E133 PolarHBondContact NE-OE1 2.71Å; R114-E133 IonicContact NE-OE2 3.85Å; R114-E133 PolarHBondContact NE-OE2 2.86Å; R114-E133 IonicContact NH2-OE1 3.82Å; R114-E133 IonicContact NH2-OE2 2.79Å; R114-E133 PolarHBondContact NH2-OE2 2.91Å; P126-E133 WeakPolarHBondContact O-CG 3.47Å; P126-E133 PolarHBondContact O-N 2.88Å; H127-E133 IonicContact CE1-OE1 2.87Å; H127-E133 IonicContact CG-OE1 2.69Å; H127-E133 IonicContact ND1-OE1 3.17Å; H127-E133 PolarHBondContact ND1-OE1 3.18Å; N129-E133 WeakPolarHBondContact O-CG 3.22Å; N129-E133 PolarHBondContact O-N 2.89Å; F130-E133 VanDerWaalsContact CA-OE2 3.28Å; F130-E133 WeakPolarHBondContact CA-OE2 3.37Å; F130-E133 HydrophobicContact CD2-CB 4.31Å; F130-E133 WeakPolarHBondContact CD2-OE2 3.34Å; F130-E133 PolarHBondContact O-N 3.11Å; E133-F136 PolarHBondContact O-N 2.83Å; E133-L137 WeakPolarHBondContact O-CB 3.47Å; E133-L137 WeakPolarHBondContact O-CG 3.39Å; E133-L137 PolarHBondContact O-N 2.81Å
134V98.8Very high97.7Very high20 Ų2058.8 Ų58.812%0.12130%0.3CS..Hα-helixtrans-63.8-44.3174.41730000110.9F130 Q131 E132 L137 S138 A146 F160F130-V134 HydrophobicContact CD1-CG2 4.19Å; F130-V134 HydrophobicContact CD2-CG2 4.42Å; F130-V134 HydrophobicContact CE1-CG2 3.86Å; F130-V134 HydrophobicContact CE2-CG2 4.09Å; F130-V134 HydrophobicContact CG-CG2 4.45Å; F130-V134 HydrophobicContact CZ-CG2 3.78Å; F130-V134 WeakPolarHBondContact O-CG2 3.06Å; F130-V134 PolarHBondContact O-N 3.22Å; Q131-V134 PolarHBondContact O-N 3.22Å; E132-V134 VanDerWaalsContact C-N 3.33Å; E132-V134 PolarHBondContact O-N 3.47Å; V134-L137 PolarHBondContact O-N 2.96Å; V134-S138 VanDerWaalsContact O-CB 3.25Å; V134-S138 WeakPolarHBondContact O-CB 3.44Å; V134-S138 PolarHBondContact O-N 2.95Å; V134-S138 PolarHBondContact O-OG 2.91Å; V134-A146 HydrophobicContact CG1-CB 4.19Å; V134-A146 HydrophobicContact CG2-CB 3.55Å; V134-F160 HydrophobicContact CB-CD2 4.44Å; V134-F160 HydrophobicContact CG1-CD2 4.3Å; V134-F160 HydrophobicContact CG1-CE2 4.25Å; V134-F160 HydrophobicContact CG2-CD2 4.14Å
135E98.6Very high97.8Very high105 Ų10554.1 Ų54.149%0.49128%0.281SS..Hα-helixtrans-66.1-37179-76.8168.2-165.100112.5Q131 E132 Q139Q131-E135 WeakPolarHBondContact CG-OE1 3.1Å; Q131-E135 PolarHBondContact NE2-OE1 3.22Å; Q131-E135 WeakPolarHBondContact O-CG 3.29Å; Q131-E135 PolarHBondContact O-N 2.84Å; E132-E135 PolarHBondContact O-N 3.05Å; E135-Q139 WeakPolarHBondContact O-CG 3.43Å; E135-Q139 PolarHBondContact O-NE2 2.83Å
136F98.6Very high97.8Very high36 Ų3651.7 Ų51.716%0.15828%0.279CS..Hα-helixtrans-64.1-50.3172.7-176.5-87.8000111L88 F125 P126 E132 E133 S138 Q139 I140L88-F136 HydrophobicContact CB-CD1 3.97Å; L88-F136 HydrophobicContact CB-CE1 3.84Å; L88-F136 HydrophobicContact CD1-CD1 4.21Å; L88-F136 WeakPolarHBondContact O-CE1 3.34Å; F125-F136 HydrophobicContact CE1-CD2 4.15Å; F125-F136 HydrophobicContact CE1-CE2 4.32Å; F125-F136 AromaticContact CZ-CD2 3.87Å; F125-F136 HydrophobicContact CZ-CD2 3.87Å; F125-F136 HydrophobicContact CZ-CE2 4.46Å; P126-F136 HydrophobicContact CB-CB 3.8Å; P126-F136 HydrophobicContact CB-CD2 3.64Å; P126-F136 HydrophobicContact CB-CE2 4.36Å; P126-F136 HydrophobicContact CB-CG 3.73Å; P126-F136 HydrophobicContact CG-CB 4.44Å; P126-F136 HydrophobicContact CG-CD1 4.28Å; P126-F136 HydrophobicContact CG-CD2 3.9Å; P126-F136 HydrophobicContact CG-CE2 4.19Å; P126-F136 HydrophobicContact CG-CG 3.94Å; E132-F136 WeakPolarHBondContact O-CB 3.35Å; E132-F136 PolarHBondContact O-N 3.04Å; E133-F136 PolarHBondContact O-N 2.83Å; F136-S138 PolarHBondContact O-N 2.83Å; F136-Q139 WeakPolarHBondContact O-CB 3.32Å; F136-Q139 PolarHBondContact O-N 3.16Å; F136-I140 HydrophobicContact CD1-CD1 4.37Å; F136-I140 HydrophobicContact CE1-CD1 3.92Å
137L98.6Very high97.9Very high0 Ų056 Ų560%030%0.296CS..Hα-helixtrans-66.4-35-179.3-74.8167.1000113L88 L91 F110 Y112 E133 V134 Q139 I140 F141 F160L88-L137 HydrophobicContact CD1-CD1 4.23Å; L88-L137 HydrophobicContact CD1-CG 4.18Å; L88-L137 HydrophobicContact CD2-CD1 4.14Å; L88-L137 HydrophobicContact CD2-CD2 3.63Å; L88-L137 HydrophobicContact CD2-CG 4.02Å; L91-L137 HydrophobicContact CD2-CD2 3.57Å; F110-L137 HydrophobicContact CE1-CD2 4.15Å; F110-L137 HydrophobicContact CZ-CD2 3.74Å; Y112-L137 HydrophobicContact CD1-CD1 3.75Å; Y112-L137 HydrophobicContact CG-CD1 4Å; E133-L137 WeakPolarHBondContact O-CB 3.47Å; E133-L137 WeakPolarHBondContact O-CG 3.39Å; E133-L137 PolarHBondContact O-N 2.81Å; V134-L137 PolarHBondContact O-N 2.96Å; L137-Q139 PolarHBondContact O-N 2.93Å; L137-I140 WeakPolarHBondContact O-CB 3.31Å; L137-I140 PolarHBondContact O-N 2.95Å; L137-F141 HydrophobicContact CD2-CD2 4.49Å; L137-F141 HydrophobicContact CD2-CE2 4.41Å; L137-F141 PolarHBondContact O-N 2.9Å; L137-F160 HydrophobicContact CB-CD1 4.16Å; L137-F160 HydrophobicContact CB-CD2 4.1Å; L137-F160 HydrophobicContact CB-CE1 3.79Å; L137-F160 HydrophobicContact CB-CE2 3.72Å; L137-F160 HydrophobicContact CB-CG 4.29Å; L137-F160 HydrophobicContact CB-CZ 3.54Å; L137-F160 HydrophobicContact CD1-CB 3.77Å; L137-F160 HydrophobicContact CD1-CD1 3.67Å; L137-F160 HydrophobicContact CD1-CD2 3.98Å; L137-F160 HydrophobicContact CD1-CE1 4.18Å; L137-F160 HydrophobicContact CD1-CE2 4.45Å; L137-F160 HydrophobicContact CD1-CG 3.54Å; L137-F160 HydrophobicContact CG-CD1 4.4Å; L137-F160 HydrophobicContact CG-CE1 4.44Å
138S97.9Very high97.9Very high58 Ų5858.1 Ų58.141%0.40631%0.31SS..Hα-helixtrans-68.2-17.7179.1-58.10000113.4V134 F136 I140V134-S138 VanDerWaalsContact O-CB 3.25Å; V134-S138 WeakPolarHBondContact O-CB 3.44Å; V134-S138 PolarHBondContact O-N 2.95Å; V134-S138 PolarHBondContact O-OG 2.91Å; F136-S138 PolarHBondContact O-N 2.83Å; S138-I140 VanDerWaalsContact C-N 3.27Å
139Q97.4Very high97.9Very high155 Ų15552.7 Ų52.772%0.72429%0.291SS*.THydrogen-bonded Turntrans-73.1-24.1170.3-68.516758.400112.2E135 F136 L137E135-Q139 WeakPolarHBondContact O-CG 3.43Å; E135-Q139 PolarHBondContact O-NE2 2.83Å; F136-Q139 WeakPolarHBondContact O-CB 3.32Å; F136-Q139 PolarHBondContact O-N 3.16Å; L137-Q139 PolarHBondContact O-N 2.93Å
140I96.5Very high97.8Very high42 Ų4249.7 Ų49.722%0.21528%0.277CS..THydrogen-bonded Turntrans-96.1-42.8-178-54.5170.8000109.9L91 M92 L95 F136 L137 S138L91-I140 HydrophobicContact CD2-CD1 3.73Å; L91-I140 HydrophobicContact CG-CD1 4.35Å; M92-I140 HydrophobicContact CG-CD1 4.04Å; M92-I140 HydrophobicContact CG-CG1 4.47Å; M92-I140 HydrophobicContact SD-CD1 4.12Å; M92-I140 HydrophobicContact SD-CG1 4.11Å; M92-I140 HydrophobicContact SD-CG2 3.82Å; L95-I140 HydrophobicContact CD1-CG2 4.3Å; F136-I140 HydrophobicContact CD1-CD1 4.37Å; F136-I140 HydrophobicContact CE1-CD1 3.92Å; L137-I140 WeakPolarHBondContact O-CB 3.31Å; L137-I140 PolarHBondContact O-N 2.95Å; S138-I140 VanDerWaalsContact C-N 3.27Å
141F96.4Very high97.8Very high19 Ų1953 Ų538%0.08329%0.288CS..  trans-120.7113.8-174.7-55.9-58.1000112L91 L95 I107 F110 L137 N143 F160 L162L91-F141 HydrophobicContact CD2-CE2 3.88Å; L91-F141 HydrophobicContact CD2-CZ 4.35Å; L95-F141 HydrophobicContact CD1-CE1 4.44Å; L95-F141 HydrophobicContact CD1-CZ 4.15Å; I107-F141 HydrophobicContact CD1-CD1 4.45Å; I107-F141 HydrophobicContact CD1-CE1 3.32Å; I107-F141 HydrophobicContact CD1-CZ 3.4Å; F110-F141 HydrophobicContact CD1-CE2 4.48Å; F110-F141 AromaticContact CD2-CE2 3.91Å; F110-F141 HydrophobicContact CD2-CE2 3.91Å; F110-F141 HydrophobicContact CD2-CZ 4.12Å; F110-F141 HydrophobicContact CE1-CE2 4.24Å; F110-F141 AromaticContact CE2-CE2 3.62Å; F110-F141 HydrophobicContact CE2-CE2 3.62Å; F110-F141 HydrophobicContact CE2-CZ 4.08Å; F110-F141 HydrophobicContact CG-CE2 4.35Å; F110-F141 AromaticContact CZ-CE2 3.82Å; F110-F141 HydrophobicContact CZ-CE2 3.82Å; L137-F141 HydrophobicContact CD2-CD2 4.49Å; L137-F141 HydrophobicContact CD2-CE2 4.41Å; L137-F141 PolarHBondContact O-N 2.9Å; F141-N143 VanDerWaalsContact C-N 3.29Å; F141-N143 PolarHBondContact O-N 2.96Å; F141-F160 HydrophobicContact CD2-CE1 4.27Å; F141-L162 HydrophobicContact CB-CD2 3.44Å; F141-L162 VanDerWaalsContact CB-CD2 3.44Å; F141-L162 HydrophobicContact CD1-CD1 4.3Å; F141-L162 HydrophobicContact CD1-CD2 4.25Å; F141-L162 HydrophobicContact CD2-CD2 3.96Å; F141-L162 HydrophobicContact CG-CD1 4.43Å; F141-L162 HydrophobicContact CG-CD2 3.63Å
142P93.6Very high97.7Very high129 Ų12954 Ų5484%0.83830%0.297SS*.THydrogen-bonded Turntrans-74.4-18.3-178.630.2-35.3000113.6
143N95.8Very high97.6Very high65 Ų6560.1 Ų60.135%0.34833%0.33SS..THydrogen-bonded Turntrans-104.931.6-17963.6-39.6000112.4F141 D163F141-N143 VanDerWaalsContact C-N 3.29Å; F141-N143 PolarHBondContact O-N 2.96Å; N143-D163 PolarHBondContact ND2-O 2.92Å; N143-D163 PolarHBondContact O-N 2.85Å
144G97.3Very high97.5Very high32 Ų3262.7 Ų62.733%0.3335%0.348SS..EExtended strand (participates in β ladder)trans-70.2140.5177.200000113.6
145A97.8Very high97.5Very high19 Ų1962.4 Ų62.416%0.15735%0.346CS..EExtended strand (participates in β ladder)trans-128.4129.117300000110.3Y147 F160 T161A145-Y147 HydrophobicContact CB-CE2 3.71Å; A145-F160 WeakPolarHBondContact O-CA 3.33Å; A145-T161 PolarHBondContact N-O 3.48Å; A145-T161 PolarHBondContact O-N 2.68Å
146A98.4Very high97.5Very high47 Ų4757.4 Ų57.439%0.38832%0.323SS..EExtended strand (participates in β ladder)trans-119.2139.4-173.800000112.2F130 V134 L159 F160F130-A146 HydrophobicContact CE1-CB 3.99Å; F130-A146 HydrophobicContact CZ-CB 4.09Å; V134-A146 HydrophobicContact CG1-CB 4.19Å; V134-A146 HydrophobicContact CG2-CB 3.55Å; A146-L159 CarbonylContact C-O 3.55Å; A146-L159 VanDerWaalsContact CA-O 3.29Å; A146-L159 WeakPolarHBondContact CA-O 3.45Å; A146-F160 HydrophobicContact CB-CD2 4.25Å
147Y98.7Very high97.5Very high91 Ų9155.7 Ų55.736%0.35732%0.315SS..EExtended strand (participates in β ladder)trans-139.3152-174.2-54.5-89.2000111.6A145 Y158 L159 T161 F315A145-Y147 HydrophobicContact CB-CE2 3.71Å; Y147-Y158 WeakPolarHBondContact O-CA 3.34Å; Y147-L159 HydrophobicContact CD2-CD2 4.25Å; Y147-L159 HydrophobicContact CD2-CG 4.5Å; Y147-L159 PolarHBondContact N-O 2.84Å; Y147-L159 PolarHBondContact O-N 3.32Å; Y147-T161 HydrophobicContact CE2-CG2 4.09Å; Y147-F315 AromaticContact CD1-CE1 3.76Å; Y147-F315 HydrophobicContact CD1-CE1 3.76Å; Y147-F315 HydrophobicContact CD1-CZ 4.49Å; Y147-F315 HydrophobicContact CD2-CD1 4.19Å; Y147-F315 AromaticContact CD2-CE1 3.55Å; Y147-F315 HydrophobicContact CD2-CE1 3.55Å; Y147-F315 HydrophobicContact CD2-CZ 4.11Å; Y147-F315 HydrophobicContact CE1-CD1 4.34Å; Y147-F315 AromaticContact CE1-CE1 3.79Å; Y147-F315 HydrophobicContact CE1-CE1 3.79Å; Y147-F315 AromaticContact CE2-CD1 3.8Å; Y147-F315 HydrophobicContact CE2-CD1 3.8Å; Y147-F315 AromaticContact CE2-CE1 3.59Å; Y147-F315 HydrophobicContact CE2-CE1 3.59Å; Y147-F315 AromaticContact CG-CE1 3.63Å; Y147-F315 HydrophobicContact CG-CE1 3.63Å; Y147-F315 HydrophobicContact CG-CZ 4.09Å; Y147-F315 AromaticContact CZ-CD1 3.88Å; Y147-F315 AromaticContact CZ-CE1 3.71Å
148C98.6Very high97.5Very high43 Ų4357.7 Ų57.729%0.29132%0.323SS..EExtended strand (participates in β ladder)trans-127.5128.2168.2-176.80000109.5L152 W157 Y158C148-L152 HydrophobicContact CB-CD2 3.98Å; C148-L152 WeakPolarHBondContact SG-CD2 3.37Å; C148-W157 WeakPolarHBondContact CA-O 3.42Å; C148-Y158 HydrophobicContact CB-CD1 3.83Å; C148-Y158 HydrophobicContact CB-CE1 3.92Å; C148-Y158 WeakPolarHBondContact SG-CE1 3.36Å
149M98.5Very high97.5Very high13 Ų1354.9 Ų54.96%0.06430%0.303CS..EExtended strand (participates in β ladder)trans-114.2136.2-176.8-61.2-67178.300110.1C156 W157 Q311 A313 F315 F320 F322M149-C156 CarbonylContact O-C 3.49Å; M149-C156 WeakPolarHBondContact O-CA 3.49Å; M149-C156 WeakPolarHBondContact O-CB 3.21Å; M149-W157 HydrophobicContact CB-CE3 4.49Å; M149-W157 HydrophobicContact CG-CE3 4.36Å; M149-W157 PolarHBondContact N-O 3Å; M149-W157 PolarHBondContact O-N 3.02Å; M149-Q311 HydrophobicContact SD-CB 4.33Å; M149-A313 HydrophobicContact CE-CB 3.4Å; M149-F315 HydrophobicContact CE-CE1 4.06Å; M149-F315 HydrophobicContact CE-CE2 4.31Å; M149-F315 HydrophobicContact CE-CZ 3.38Å; M149-F320 HydrophobicContact CB-CE1 4.22Å; M149-F320 HydrophobicContact CE-CD1 4.18Å; M149-F320 HydrophobicContact CE-CE1 4.26Å; M149-F320 HydrophobicContact CG-CD1 4.42Å; M149-F320 HydrophobicContact CG-CE1 3.6Å; M149-F320 HydrophobicContact CG-CZ 4.25Å; M149-F320 HydrophobicContact SD-CD1 4.47Å; M149-F320 HydrophobicContact SD-CE1 4.12Å; M149-F322 HydrophobicContact CB-CB 3.76Å; M149-F322 HydrophobicContact CB-CD1 4.36Å; M149-F322 HydrophobicContact CB-CD2 4.14Å; M149-F322 HydrophobicContact CB-CG 3.84Å; M149-F322 HydrophobicContact CG-CB 4.46Å
150G98Very high97.6Very high10 Ų1047.5 Ų47.510%0.10327%0.269CS..EExtended strand (participates in β ladder)trans94.5-151.8-176.300000113.3Q311G150-Q311 VanDerWaalsContact N-CD 3.29Å; G150-Q311 PolarHBondContact O-NE2 3.26Å; G150-Q311 VanDerWaalsContact O-NE2 3.13Å
151R97.9Very high97.7Very high96 Ų9645.6 Ų45.636%0.36226%0.259SS..  trans-98.6113.9-175.4-70.7-178-172.4160.615.9110.3N153 S154 D155 C156 L308 D309R151-N153 PolarHBondContact O-N 2.8Å; R151-N153 VanDerWaalsContact O-N 3.07Å; R151-S154 CarbonylContact O-C 3.07Å; R151-S154 VanDerWaalsContact O-C 3.25Å; R151-S154 PolarHBondContact O-N 3.46Å; R151-S154 VanDerWaalsContact O-O 3.06Å; R151-D155 PolarHBondContact N-O 2.83Å; R151-C156 WeakPolarHBondContact O-CB 3.34Å; R151-L308 PolarHBondContact NH2-O 3.19Å; R151-D309 WeakPolarHBondContact CD-OD2 3.39Å; R151-D309 WeakPolarHBondContact CG-OD2 3.38Å; R151-D309 IonicContact CZ-OD1 3.09Å; R151-D309 VanDerWaalsContact CZ-OD1 3.29Å; R151-D309 IonicContact CZ-OD2 3.81Å; R151-D309 IonicContact NE-OD1 3.26Å; R151-D309 PolarHBondContact NE-OD1 3Å; R151-D309 IonicContact NE-OD2 3.78Å; R151-D309 PolarHBondContact NE-OD2 2.88Å; R151-D309 IonicContact NH1-OD2 2.8Å; R151-D309 IonicContact NH2-OD1 2.8Å; R151-D309 PolarHBondContact NH2-OD1 3.46Å; R151-D309 IonicContact NH2-OD2 3.24Å; R151-D309 PolarHBondContact NH2-OD2 2.97Å; R151-D309 VanDerWaalsContact NH2-OD2 3.16Å
152L96.1Very high97.7Very high134 Ų13445 Ų4570%0.70226%0.257SS*.THydrogen-bonded Turntrans-53.6-30.9178.6-72.9169.2000114C148C148-L152 HydrophobicContact CB-CD2 3.98Å; C148-L152 WeakPolarHBondContact SG-CD2 3.37Å
153N96.3Very high97.6Very high149 Ų14943.9 Ų43.980%0.79724%0.244SC*.THydrogen-bonded Turntrans-95.51317968.3-33.4000113.5R151R151-N153 PolarHBondContact O-N 2.8Å; R151-N153 VanDerWaalsContact O-N 3.07Å
154S97.8Very high97.2Very high53 Ų5341.7 Ų41.737%0.37123%0.232SC..SBendtrans-153.4-148.9179.8-166.70000109.5R151 C156R151-S154 CarbonylContact O-C 3.07Å; R151-S154 VanDerWaalsContact O-C 3.25Å; R151-S154 PolarHBondContact O-N 3.46Å; R151-S154 VanDerWaalsContact O-O 3.06Å; S154-C156 PolarHBondContact O-N 3.44Å
155D98.1Very high96.4Very high14 Ų1443.4 Ų43.48%0.07524%0.237CC..SBendtrans-66.3116.4177.8-65.3-61.5000110.6K115 N116 R151 K279 V281K115-D155 WeakPolarHBondContact CE-OD1 3.33Å; K115-D155 IonicContact NZ-OD1 3.7Å; K115-D155 PolarHBondContact NZ-OD1 2.86Å; N116-D155 WeakPolarHBondContact OD1-CA 3.4Å; R151-D155 PolarHBondContact N-O 2.83Å; D155-K279 IonicContact OD1-NZ 2.69Å; D155-K279 PolarHBondContact OD1-NZ 3.04Å; D155-K279 WeakPolarHBondContact OD2-CD 3.45Å; D155-K279 IonicContact OD2-NZ 2.7Å; D155-K279 PolarHBondContact OD2-NZ 2.63Å; D155-V281 HydrophobicContact CB-CG1 4.13Å
156C98.6Very high94.8Very high1 Ų152.1 Ų52.11%0.00728%0.275CS..EExtended strand (participates in β ladder)trans-140.8165.9177.658.50000111.1K115 N116 M149 R151 S154K115-C156 WeakPolarHBondContact CG-O 3.12Å; N116-C156 PolarHBondContact N-O 2.93Å; N116-C156 PolarHBondContact OD1-N 2.99Å; N116-C156 VanDerWaalsContact OD1-N 3.08Å; N116-C156 PolarHBondContact OD1-O 3.06Å; N116-C156 VanDerWaalsContact OD1-O 3.1Å; M149-C156 CarbonylContact O-C 3.49Å; M149-C156 WeakPolarHBondContact O-CA 3.49Å; M149-C156 WeakPolarHBondContact O-CB 3.21Å; R151-C156 WeakPolarHBondContact O-CB 3.34Å; S154-C156 PolarHBondContact O-N 3.44Å
157W98.9Very high93.1Very high0 Ų058.2 Ų58.20%029%0.293CS..EExtended strand (participates in β ladder)trans-133.8135-177.2-176.394.7000109.9S113 R114 C148 M149 L159 E178 T283 F285 F320 F322S113-W157 VanDerWaalsContact OG-CZ2 3.23Å; S113-W157 WeakPolarHBondContact OG-CZ2 3.49Å; R114-W157 VanDerWaalsContact C-CD1 3.48Å; C148-W157 WeakPolarHBondContact CA-O 3.42Å; M149-W157 HydrophobicContact CB-CE3 4.49Å; M149-W157 HydrophobicContact CG-CE3 4.36Å; M149-W157 PolarHBondContact N-O 3Å; M149-W157 PolarHBondContact O-N 3.02Å; W157-L159 HydrophobicContact CE3-CB 4.2Å; W157-L159 HydrophobicContact CH2-CB 3.8Å; W157-L159 HydrophobicContact CH2-CD1 3.95Å; W157-L159 HydrophobicContact CH2-CD2 4.35Å; W157-L159 HydrophobicContact CH2-CG 4.25Å; W157-L159 HydrophobicContact CZ3-CB 3.43Å; W157-L159 VanDerWaalsContact CZ3-CB 3.43Å; W157-L159 HydrophobicContact CZ3-CD1 4.42Å; W157-L159 HydrophobicContact CZ3-CD2 4.19Å; W157-L159 HydrophobicContact CZ3-CG 4.22Å; W157-E178 PolarHBondContact NE1-OE2 3.12Å; W157-T283 HydrophobicContact CB-CG2 4.41Å; W157-T283 HydrophobicContact CD2-CG2 3.72Å; W157-T283 HydrophobicContact CE3-CG2 4.33Å; W157-T283 HydrophobicContact CG-CG2 3.75Å; W157-T283 HydrophobicContact CZ2-CG2 4.22Å; W157-F285 AromaticContact CH2-CE2 3.56Å; W157-F285 HydrophobicContact CH2-CE2 3.56Å; W157-F285 AromaticContact CH2-CZ 3.74Å; W157-F285 HydrophobicContact CH2-CZ 3.74Å; W157-F285 HydrophobicContact CZ2-CE2 4.14Å; W157-F285 HydrophobicContact CZ3-CE2 4.42Å; W157-F285 HydrophobicContact CZ3-CZ 4.39Å; W157-F320 HydrophobicContact CE3-CE2 4.31Å; W157-F320 AromaticContact CE3-CZ 3.76Å; W157-F320 HydrophobicContact CE3-CZ 3.76Å; W157-F320 AromaticContact CH2-CE2 3.87Å; W157-F320 HydrophobicContact CH2-CE2 3.87Å; W157-F320 HydrophobicContact CH2-CZ 4.16Å; W157-F320 HydrophobicContact CZ3-CE1 4.37Å; W157-F320 AromaticContact CZ3-CE2 3.66Å; W157-F320 HydrophobicContact CZ3-CE2 3.66Å; W157-F320 AromaticContact CZ3-CZ 3.49Å; W157-F320 HydrophobicContact CZ3-CZ 3.49Å; W157-F320 VanDerWaalsContact CZ3-CZ 3.49Å; W157-F322 HydrophobicContact CB-CD2 3.95Å; W157-F322 HydrophobicContact CB-CE2 3.85Å
158Y98.9Very high91.4Very high41 Ų4157 Ų5716%0.16129%0.288CS..EExtended strand (participates in β ladder)trans-107.7143-174.4-59.8-69.8000110.5S113 R114 N116 F130 Y147 C148S113-Y158 WeakPolarHBondContact CA-O 3.5Å; S113-Y158 WeakPolarHBondContact CB-O 3.44Å; R114-Y158 HydrophobicContact CG-CD2 4.49Å; R114-Y158 PolarHBondContact N-O 2.79Å; R114-Y158 PolarHBondContact O-N 2.96Å; N116-Y158 HydrophobicContact CB-CE2 3.96Å; F130-Y158 HydrophobicContact CB-CD1 3.87Å; F130-Y158 HydrophobicContact CB-CD2 4.27Å; F130-Y158 HydrophobicContact CB-CE1 4.06Å; F130-Y158 HydrophobicContact CB-CE2 4.44Å; F130-Y158 HydrophobicContact CB-CG 3.97Å; F130-Y158 AromaticContact CD1-CD1 3.36Å; F130-Y158 HydrophobicContact CD1-CD1 3.36Å; F130-Y158 HydrophobicContact CD1-CE1 4.08Å; F130-Y158 AromaticContact CD1-CG 3.86Å; F130-Y158 HydrophobicContact CD1-CG 3.86Å; F130-Y158 HydrophobicContact CD2-CD1 4.28Å; F130-Y158 AromaticContact CD2-CG 3.92Å; F130-Y158 HydrophobicContact CD2-CG 3.92Å; F130-Y158 AromaticContact CE1-CD1 3.95Å; F130-Y158 HydrophobicContact CE1-CD1 3.95Å; F130-Y158 HydrophobicContact CE1-CG 4.34Å; F130-Y158 HydrophobicContact CE2-CG 4.43Å; F130-Y158 AromaticContact CG-CD1 3.57Å; F130-Y158 HydrophobicContact CG-CD1 3.57Å; F130-Y158 HydrophobicContact CG-CD2 4.35Å; F130-Y158 HydrophobicContact CG-CE1 4.24Å; F130-Y158 AromaticContact CG-CG 3.63Å; F130-Y158 HydrophobicContact CG-CG 3.63Å; Y147-Y158 WeakPolarHBondContact O-CA 3.34Å; C148-Y158 HydrophobicContact CB-CD1 3.83Å; C148-Y158 HydrophobicContact CB-CE1 3.92Å; C148-Y158 WeakPolarHBondContact SG-CE1 3.36Å
159L98.9Very high89.8Confident0 Ų062.3 Ų62.30%031%0.308CS..EExtended strand (participates in β ladder)trans-137.7130.4176.9173.265.3000110.8F111 Y112 F130 A146 Y147 W157 T161 F285 F315F111-L159 HydrophobicContact CB-CD1 4.28Å; F111-L159 HydrophobicContact CD1-CD1 4.06Å; Y112-L159 CarbonylContact O-C 3.48Å; Y112-L159 WeakPolarHBondContact O-CA 2.82Å; F130-L159 WeakPolarHBondContact CZ-O 3.35Å; A146-L159 CarbonylContact C-O 3.55Å; A146-L159 VanDerWaalsContact CA-O 3.29Å; A146-L159 WeakPolarHBondContact CA-O 3.45Å; Y147-L159 HydrophobicContact CD2-CD2 4.25Å; Y147-L159 HydrophobicContact CD2-CG 4.5Å; Y147-L159 PolarHBondContact N-O 2.84Å; Y147-L159 PolarHBondContact O-N 3.32Å; W157-L159 HydrophobicContact CE3-CB 4.2Å; W157-L159 HydrophobicContact CH2-CB 3.8Å; W157-L159 HydrophobicContact CH2-CD1 3.95Å; W157-L159 HydrophobicContact CH2-CD2 4.35Å; W157-L159 HydrophobicContact CH2-CG 4.25Å; W157-L159 HydrophobicContact CZ3-CB 3.43Å; W157-L159 VanDerWaalsContact CZ3-CB 3.43Å; W157-L159 HydrophobicContact CZ3-CD1 4.42Å; W157-L159 HydrophobicContact CZ3-CD2 4.19Å; W157-L159 HydrophobicContact CZ3-CG 4.22Å; L159-T161 HydrophobicContact CD2-CG2 4.3Å; L159-T161 HydrophobicContact CG-CG2 4.5Å; L159-F285 HydrophobicContact CD1-CZ 4.27Å; L159-F285 HydrophobicContact CD2-CE1 4.33Å; L159-F285 HydrophobicContact CD2-CZ 3.9Å; L159-F315 HydrophobicContact CD2-CD2 3.8Å; L159-F315 HydrophobicContact CD2-CE1 4.16Å; L159-F315 HydrophobicContact CD2-CE2 3.35Å; L159-F315 HydrophobicContact CD2-CG 4.33Å; L159-F315 HydrophobicContact CD2-CZ 3.52Å
160F98.8Very high88.5Confident0 Ų062.3 Ų62.30%031%0.308CS..EExtended strand (participates in β ladder)trans-111.6128.6157.8-176.3-76.1000108.3F110 Y112 F130 V134 L137 F141 A145 A146 L162F110-F160 HydrophobicContact CD1-CD1 4.18Å; F110-F160 AromaticContact CE1-CD1 3.81Å; F110-F160 HydrophobicContact CE1-CD1 3.81Å; F110-F160 HydrophobicContact CE1-CE1 4.23Å; Y112-F160 HydrophobicContact CD1-CB 4.43Å; Y112-F160 PolarHBondContact N-O 2.77Å; Y112-F160 PolarHBondContact O-N 2.95Å; F130-F160 HydrophobicContact CZ-CB 4.4Å; V134-F160 HydrophobicContact CB-CD2 4.44Å; V134-F160 HydrophobicContact CG1-CD2 4.3Å; V134-F160 HydrophobicContact CG1-CE2 4.25Å; V134-F160 HydrophobicContact CG2-CD2 4.14Å; L137-F160 HydrophobicContact CB-CD1 4.16Å; L137-F160 HydrophobicContact CB-CD2 4.1Å; L137-F160 HydrophobicContact CB-CE1 3.79Å; L137-F160 HydrophobicContact CB-CE2 3.72Å; L137-F160 HydrophobicContact CB-CG 4.29Å; L137-F160 HydrophobicContact CB-CZ 3.54Å; L137-F160 HydrophobicContact CD1-CB 3.77Å; L137-F160 HydrophobicContact CD1-CD1 3.67Å; L137-F160 HydrophobicContact CD1-CD2 3.98Å; L137-F160 HydrophobicContact CD1-CE1 4.18Å; L137-F160 HydrophobicContact CD1-CE2 4.45Å; L137-F160 HydrophobicContact CD1-CG 3.54Å; L137-F160 HydrophobicContact CG-CD1 4.4Å; L137-F160 HydrophobicContact CG-CE1 4.44Å; F141-F160 HydrophobicContact CD2-CE1 4.27Å; A145-F160 WeakPolarHBondContact O-CA 3.33Å; A146-F160 HydrophobicContact CB-CD2 4.25Å; F160-L162 HydrophobicContact CE1-CD2 4.08Å
161T98.3Very high87.5Confident2 Ų269.9 Ų69.91%0.01234%0.341CS..EExtended strand (participates in β ladder)trans-136.5177.8174.6-171.20000109.5F110 F111 A145 Y147 L159F110-T161 VanDerWaalsContact O-CA 3.32Å; F110-T161 WeakPolarHBondContact O-CA 3.49Å; F110-T161 WeakPolarHBondContact O-CB 3.25Å; F110-T161 PolarHBondContact O-OG1 3.32Å; F111-T161 WeakPolarHBondContact CE1-OG1 3.05Å; A145-T161 PolarHBondContact N-O 3.48Å; A145-T161 PolarHBondContact O-N 2.68Å; Y147-T161 HydrophobicContact CE2-CG2 4.09Å; L159-T161 HydrophobicContact CD2-CG2 4.3Å; L159-T161 HydrophobicContact CG-CG2 4.5Å
162L96.4Very high87Confident5 Ų572.1 Ų72.13%0.02636%0.355CS..EExtended strand (participates in β ladder)trans-101.7135177.4-60.2178.7000109.8I107 F110 F141 F160 L164 N316I107-L162 HydrophobicContact CG2-CD1 4.02Å; F110-L162 HydrophobicContact CB-CD1 3.66Å; F110-L162 HydrophobicContact CB-CG 3.82Å; F110-L162 HydrophobicContact CD1-CG 4.35Å; F110-L162 HydrophobicContact CG-CD1 4.31Å; F110-L162 HydrophobicContact CG-CG 4.31Å; F141-L162 HydrophobicContact CB-CD2 3.44Å; F141-L162 VanDerWaalsContact CB-CD2 3.44Å; F141-L162 HydrophobicContact CD1-CD1 4.3Å; F141-L162 HydrophobicContact CD1-CD2 4.25Å; F141-L162 HydrophobicContact CD2-CD2 3.96Å; F141-L162 HydrophobicContact CG-CD1 4.43Å; F141-L162 HydrophobicContact CG-CD2 3.63Å; F160-L162 HydrophobicContact CE1-CD2 4.08Å; L162-L164 HydrophobicContact CB-CD2 4.22Å; L162-L164 PolarHBondContact O-N 3.29Å; L162-N316 PolarHBondContact O-ND2 3.37Å
163D92.4Very high86.9Confident106 Ų10668.3 Ų68.357%0.56734%0.343SS*.  trans-73.5111.1168.9-168.520.7000108.2N143N143-D163 PolarHBondContact ND2-O 2.92Å; N143-D163 PolarHBondContact O-N 2.85Å
164L86.4Confident86.9Confident20 Ų2061.6 Ų61.611%0.10531%0.307CS..  trans-98.9151.1-175.6-62.2177.6000109.8E108 L162 W168 N316E108-L164 WeakPolarHBondContact O-CD1 3.38Å; L162-L164 HydrophobicContact CB-CD2 4.22Å; L162-L164 PolarHBondContact O-N 3.29Å; L164-W168 HydrophobicContact CB-CB 4.46Å; L164-W168 HydrophobicContact CD1-CD2 4.07Å; L164-W168 HydrophobicContact CD1-CE3 3.68Å; L164-W168 HydrophobicContact CD1-CZ3 4.22Å; L164-N316 HydrophobicContact CB-CB 4.47Å; L164-N316 WeakPolarHBondContact CG-ND2 3.48Å; L164-N316 PolarHBondContact N-OD1 3.33Å
165P79.8Confident86.8Confident68 Ų6859.5 Ų59.544%0.44229%0.292SS..  trans-57.9142.9177.2-21.832.3000112.6F167 W168P165-F167 HydrophobicContact CB-CD1 4.01Å; P165-F167 HydrophobicContact CB-CD2 4.31Å; P165-F167 HydrophobicContact CB-CE1 3.44Å; P165-F167 VanDerWaalsContact CB-CE1 3.44Å; P165-F167 HydrophobicContact CB-CE2 3.78Å; P165-F167 HydrophobicContact CB-CG 4.42Å; P165-F167 HydrophobicContact CB-CZ 3.31Å; P165-F167 HydrophobicContact CG-CE1 4.47Å; P165-F167 HydrophobicContact CG-CE2 4.33Å; P165-F167 HydrophobicContact CG-CZ 3.94Å; P165-F167 PolarHBondContact O-N 2.8Å; P165-W168 VanDerWaalsContact O-CB 3.3Å; P165-W168 WeakPolarHBondContact O-CB 3.32Å; P165-W168 PolarHBondContact O-N 2.86Å
166E64.8Low86.8Confident202 Ų20259.3 Ų59.394%0.94429%0.291SS*.THydrogen-bonded Turntrans-54.9-21.8-174.1-72.2-175.6163.900115.7W168E166-W168 VanDerWaalsContact C-N 3.31Å
167F62.2Low86.8Confident174 Ų17459.3 Ų59.376%0.76329%0.291SS*.THydrogen-bonded Turntrans-87.93.6-179.750.4-99000113.8P165 E169P165-F167 HydrophobicContact CB-CD1 4.01Å; P165-F167 HydrophobicContact CB-CD2 4.31Å; P165-F167 HydrophobicContact CB-CE1 3.44Å; P165-F167 VanDerWaalsContact CB-CE1 3.44Å; P165-F167 HydrophobicContact CB-CE2 3.78Å; P165-F167 HydrophobicContact CB-CG 4.42Å; P165-F167 HydrophobicContact CB-CZ 3.31Å; P165-F167 HydrophobicContact CG-CE1 4.47Å; P165-F167 HydrophobicContact CG-CE2 4.33Å; P165-F167 HydrophobicContact CG-CZ 3.94Å; P165-F167 PolarHBondContact O-N 2.8Å; F167-E169 PolarHBondContact O-N 3.09Å
168W64.4Low86.8Confident67 Ų6759.6 Ų59.625%0.25429%0.292SS..  trans-85.1102.5179.3-155.181.6000110.2E108 L164 P165 E166 N170E108-W168 HydrophobicContact CB-CZ2 4.35Å; E108-W168 HydrophobicContact CG-CH2 3.41Å; E108-W168 VanDerWaalsContact CG-CH2 3.41Å; E108-W168 HydrophobicContact CG-CZ2 2.98Å; E108-W168 WeakPolarHBondContact OE1-CH2 3.49Å; E108-W168 WeakPolarHBondContact OE1-CZ2 3.25Å; L164-W168 HydrophobicContact CB-CB 4.46Å; L164-W168 HydrophobicContact CD1-CD2 4.07Å; L164-W168 HydrophobicContact CD1-CE3 3.68Å; L164-W168 HydrophobicContact CD1-CZ3 4.22Å; P165-W168 VanDerWaalsContact O-CB 3.3Å; P165-W168 WeakPolarHBondContact O-CB 3.32Å; P165-W168 PolarHBondContact O-N 2.86Å; E166-W168 VanDerWaalsContact C-N 3.31Å; W168-N170 HydrophobicContact CH2-CB 3.96Å; W168-N170 HydrophobicContact CZ3-CB 4.03Å
169E64.5Low86.8Confident153 Ų15357.7 Ų57.772%0.71529%0.285SS*.  trans-115.5126.1173.1-73.9-170.4168.300110.4F167 E171F167-E169 PolarHBondContact O-N 3.09Å; E169-E171 PolarHBondContact O-N 2.82Å
170N71.8Confident86.8Confident13 Ų1357.8 Ų57.87%0.0729%0.285CS..  trans-79.9111.8170-166.8-18.8000110W168 H172 D317W168-N170 HydrophobicContact CH2-CB 3.96Å; W168-N170 HydrophobicContact CZ3-CB 4.03Å; N170-H172 PolarHBondContact O-N 3.14Å; N170-H172 WeakPolarHBondContact OD1-CB 3.14Å; N170-H172 PolarHBondContact OD1-N 3.47Å; N170-D317 VanDerWaalsContact CB-OD2 3.32Å; N170-D317 WeakPolarHBondContact CB-OD2 3.39Å
171E77.1Confident86.8Confident170 Ų17057.8 Ų57.879%0.79429%0.285SS*.  trans-68.1-23.6178.7-64.3-170.6170.100112.5E169 S289E169-E171 PolarHBondContact O-N 2.82Å; E171-S289 PolarHBondContact O-OG 3.44Å
172H87.4Confident86.9Confident142 Ų14257.9 Ų57.966%0.65729%0.286SS*.SBendtrans-85.6133.1-177.3-61.2-51.9000111.6N170 D174 N287N170-H172 PolarHBondContact O-N 3.14Å; N170-H172 WeakPolarHBondContact OD1-CB 3.14Å; N170-H172 PolarHBondContact OD1-N 3.47Å; H172-D174 PolarHBondContact O-N 2.91Å; H172-N287 PolarHBondContact O-ND2 3.11Å
173A93.1Very high86.9Confident54 Ų5462.4 Ų62.445%0.44631%0.31SS..  trans-62.6122.117500000111.2S289A173-S289 WeakPolarHBondContact CB-O 3.4Å
174D95.5Very high87.2Confident9 Ų957.8 Ų57.85%0.04829%0.286CS..  trans-140.3143.8178.6-172.853.5000111.5R76 H172 N287 Y318R76-D174 IonicContact NH1-OD1 2.88Å; H172-D174 PolarHBondContact O-N 2.91Å; D174-N287 PolarHBondContact N-ND2 3.4Å; D174-N287 PolarHBondContact N-OD1 3.32Å; D174-N287 PolarHBondContact O-N 3.23Å; D174-N287 VanDerWaalsContact O-N 3.09Å; D174-N287 PolarHBondContact O-OD1 3.43Å; D174-Y318 HydrophobicContact CB-CE1 4.4Å; D174-Y318 WeakPolarHBondContact OD2-CE1 3.33Å; D174-Y318 PolarHBondContact OD2-OH 3.29Å
175Q97Very high87.8Confident9 Ų959.4 Ų59.44%0.04229%0.294CS..EExtended strand (participates in β ladder)trans-159.9145.2-179.760.3-71.4-56.600109.6N258 Y264 F285 S290Q175-N258 PolarHBondContact NE2-O 2.9Å; Q175-N258 WeakPolarHBondContact O-CA 3.29Å; Q175-N258 WeakPolarHBondContact O-CB 3.41Å; Q175-Y264 WeakPolarHBondContact CG-OH 3.37Å; Q175-F285 CarbonylContact C-O 3.58Å; Q175-F285 WeakPolarHBondContact CA-O 3.36Å; Q175-F285 VanDerWaalsContact CB-O 3.29Å; Q175-F285 WeakPolarHBondContact CB-O 3.3Å; Q175-S290 PolarHBondContact OE1-OG 3.11Å
176T98.4Very high88.7Confident10 Ų1060.4 Ų60.46%0.06130%0.301CS..EExtended strand (participates in β ladder)trans-137.2122.6177.1-57.80000109.1E256 T257 L284 F285T176-E256 HydrophobicContact CG2-CG 4.1Å; T176-T257 WeakPolarHBondContact CA-O 3.39Å; T176-L284 WeakPolarHBondContact O-CA 3.26Å; T176-F285 PolarHBondContact N-O 3.15Å; T176-F285 PolarHBondContact O-N 3.27Å
177L98.7Very high90.3Very high1 Ų154.1 Ų54.11%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-105131.2172.5172.671.8000109V179 F255 E256 T257 Y264 L267 V268 T283 L284L177-V179 HydrophobicContact CD1-CG2 4.43Å; L177-V179 HydrophobicContact CD2-CG2 4.17Å; L177-V179 HydrophobicContact CG-CG2 4.25Å; L177-F255 HydrophobicContact CD2-CE1 4.34Å; L177-E256 CarbonylContact O-C 3.25Å; L177-E256 VanDerWaalsContact O-CA 3.3Å; L177-E256 WeakPolarHBondContact O-CA 3.3Å; L177-T257 HydrophobicContact CB-CG2 4.31Å; L177-T257 PolarHBondContact N-O 3.12Å; L177-T257 PolarHBondContact O-N 2.96Å; L177-Y264 HydrophobicContact CB-CD1 4.15Å; L177-Y264 HydrophobicContact CB-CE1 3.97Å; L177-Y264 HydrophobicContact CD2-CD1 3.47Å; L177-Y264 VanDerWaalsContact CD2-CD1 3.47Å; L177-Y264 HydrophobicContact CD2-CE1 4.04Å; L177-Y264 HydrophobicContact CD2-CG 4.04Å; L177-Y264 HydrophobicContact CG-CD1 4.3Å; L177-L267 HydrophobicContact CD2-CD2 4.12Å; L177-V268 HydrophobicContact CD1-CG2 4.27Å; L177-V268 HydrophobicContact CD2-CG2 3.95Å; L177-T283 CarbonylContact C-O 3.6Å; L177-T283 WeakPolarHBondContact CA-O 3.27Å; L177-L284 HydrophobicContact CB-CD1 4.13Å; L177-L284 HydrophobicContact CD1-CB 4.39Å; L177-L284 HydrophobicContact CD1-CD1 4.47Å
178E98.9Very high92Very high6 Ų647 Ų473%0.02825%0.253CS..EExtended strand (participates in β ladder)trans-113.5147.1158.9-47.2175.384.900111.5K80 W157 L180 F255 E256 T282 T283K80-E178 IonicContact NZ-OE1 2.81Å; K80-E178 PolarHBondContact NZ-OE1 2.99Å; W157-E178 PolarHBondContact NE1-OE2 3.12Å; E178-L180 HydrophobicContact CB-CD2 4.01Å; E178-L180 HydrophobicContact CB-CG 4.21Å; E178-F255 CarbonylContact C-O 3.28Å; E178-F255 VanDerWaalsContact CA-O 3.23Å; E178-F255 WeakPolarHBondContact CA-O 3.27Å; E178-E256 HydrophobicContact CG-CB 4.27Å; E178-E256 HydrophobicContact CG-CG 4.04Å; E178-T282 WeakPolarHBondContact O-CA 3.24Å; E178-T283 WeakPolarHBondContact CB-OG1 3.39Å; E178-T283 WeakPolarHBondContact CG-OG1 3.38Å; E178-T283 PolarHBondContact N-O 3.17Å; E178-T283 PolarHBondContact O-N 3.48Å; E178-T283 VanDerWaalsContact O-N 3.11Å; E178-T283 PolarHBondContact OE2-OG1 3.07Å
179V98.8Very high93.7Very high0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-127.3108.5168.5-1730000107.4L177 M181 F255 V268 V271 V272 F280 T282L177-V179 HydrophobicContact CD1-CG2 4.43Å; L177-V179 HydrophobicContact CD2-CG2 4.17Å; L177-V179 HydrophobicContact CG-CG2 4.25Å; V179-M181 HydrophobicContact CG1-CE 4.41Å; V179-M181 HydrophobicContact CG1-CG 3.98Å; V179-M181 HydrophobicContact CG1-SD 4.16Å; V179-F255 HydrophobicContact CB-CB 4.29Å; V179-F255 HydrophobicContact CB-CD1 4.37Å; V179-F255 HydrophobicContact CG2-CD1 4.08Å; V179-F255 PolarHBondContact N-O 3.49Å; V179-F255 PolarHBondContact O-N 3.29Å; V179-V268 HydrophobicContact CG2-CG2 4.13Å; V179-V271 HydrophobicContact CB-CG1 4.23Å; V179-V271 HydrophobicContact CG1-CG1 4.15Å; V179-V272 HydrophobicContact CG1-CG2 4.44Å; V179-F280 HydrophobicContact CG1-CD2 3.9Å; V179-T282 HydrophobicContact CG1-CG2 4.41Å; V179-T282 HydrophobicContact CG2-CG2 4.23Å
180L98.9Very high95.3Very high2 Ų240.7 Ų40.71%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-111.4113.8-172-51.1179.8000109.3K115 E178 F280 V281K115-L180 HydrophobicContact CB-CD1 3.86Å; K115-L180 HydrophobicContact CD-CB 4.32Å; K115-L180 HydrophobicContact CD-CD1 4.4Å; E178-L180 HydrophobicContact CB-CD2 4.01Å; E178-L180 HydrophobicContact CB-CG 4.21Å; L180-F280 CarbonylContact O-C 3.51Å; L180-F280 WeakPolarHBondContact O-CA 3.48Å; L180-F280 VanDerWaalsContact O-CB 3.3Å; L180-F280 WeakPolarHBondContact O-CB 3.34Å; L180-V281 HydrophobicContact CB-CG2 3.78Å; L180-V281 HydrophobicContact CD1-CG2 4.1Å; L180-V281 HydrophobicContact CG-CG2 4.27Å; L180-V281 PolarHBondContact N-O 2.8Å; L180-V281 PolarHBondContact O-N 3.36Å
181M98.9Very high96.5Very high0 Ų042.7 Ų42.70%024%0.238CC..EExtended strand (participates in β ladder)trans-117.1143-161.2-67.4174.4-7900111.4V179 L184 Y252 V253 F255 V271 F275 P277 F280V179-M181 HydrophobicContact CG1-CE 4.41Å; V179-M181 HydrophobicContact CG1-CG 3.98Å; V179-M181 HydrophobicContact CG1-SD 4.16Å; M181-L184 HydrophobicContact CB-CD2 4.34Å; M181-Y252 WeakPolarHBondContact O-CA 3.4Å; M181-Y252 VanDerWaalsContact O-CD2 3.27Å; M181-Y252 WeakPolarHBondContact O-CD2 3.43Å; M181-V253 HydrophobicContact CB-CB 4.24Å; M181-V253 WeakPolarHBondContact CB-O 3.44Å; M181-V253 HydrophobicContact CE-CB 3.74Å; M181-V253 HydrophobicContact CE-CG1 3.4Å; M181-V253 PolarHBondContact N-O 3.18Å; M181-V253 PolarHBondContact O-N 3.46Å; M181-F255 HydrophobicContact CE-CB 4.38Å; M181-V271 HydrophobicContact CE-CG1 3.74Å; M181-V271 HydrophobicContact SD-CG1 4.06Å; M181-F275 HydrophobicContact CE-CB 4.25Å; M181-F275 HydrophobicContact CE-CD2 3.57Å; M181-F275 HydrophobicContact CE-CE2 4.19Å; M181-F275 HydrophobicContact CE-CG 4.06Å; M181-F275 HydrophobicContact SD-CB 3.72Å; M181-F275 HydrophobicContact SD-CD2 3.99Å; M181-F275 HydrophobicContact SD-CG 4.19Å; M181-P277 HydrophobicContact CB-CB 3.92Å; M181-P277 HydrophobicContact CB-CG 4.33Å; M181-P277 HydrophobicContact CG-CB 4.11Å; M181-P277 HydrophobicContact CG-CG 3.96Å; M181-P277 HydrophobicContact SD-CG 4.07Å; M181-F280 HydrophobicContact CB-CB 4.29Å; M181-F280 HydrophobicContact CG-CB 3.71Å
182S98.8Very high97.6Very high4 Ų434.6 Ų34.63%0.02820%0.2CC..EExtended strand (participates in β ladder)trans-142.5166.9176.7-48.90000110.8G278 K279S182-G278 PolarHBondContact O-N 2.95Å; S182-G278 VanDerWaalsContact O-N 3.15Å; S182-K279 PolarHBondContact N-O 3.34Å; S182-K279 PolarHBondContact O-N 3.35Å; S182-K279 VanDerWaalsContact O-O 3.11Å
183D98.3Very high98.1Very high101 Ų10131.1 Ų31.154%0.5418%0.183SC..SBendtrans56.850.7-179-52.9-33.6000111.2G278 K279D183-G278 WeakPolarHBondContact O-CA 3.01Å; D183-G278 PolarHBondContact O-N 3.12Å; D183-K279 WeakPolarHBondContact OD2-CE 3.33Å
184L98.7Very high98.3Very high9 Ų933.4 Ų33.45%0.04719%0.186CC..  trans-73.9156.2-172.4-64.6108.6000112.4M181 P186 M189 S251 V253 F275M181-L184 HydrophobicContact CB-CD2 4.34Å; L184-P186 VanDerWaalsContact O-CD 3.3Å; L184-P186 WeakPolarHBondContact O-CD 3.46Å; L184-M189 HydrophobicContact CB-CE 3.89Å; L184-M189 HydrophobicContact CB-CG 3.7Å; L184-M189 HydrophobicContact CB-SD 3.68Å; L184-M189 HydrophobicContact CD1-SD 4.16Å; L184-M189 HydrophobicContact CD2-CE 3.64Å; L184-M189 HydrophobicContact CD2-SD 4.06Å; L184-M189 HydrophobicContact CG-CE 4.3Å; L184-M189 HydrophobicContact CG-SD 4.17Å; L184-S251 VanDerWaalsContact CD1-C 3.47Å; L184-S251 PolarHBondContact N-OG 3.44Å; L184-V253 HydrophobicContact CD1-CB 4.48Å; L184-V253 HydrophobicContact CD1-CG2 3.95Å; L184-V253 HydrophobicContact CD2-CB 3.93Å; L184-V253 HydrophobicContact CD2-CG2 3.38Å; L184-V253 HydrophobicContact CG-CG2 4.32Å; L184-F275 HydrophobicContact CD2-CB 3.81Å
185D98.4Very high98.3Very high53 Ų5337.2 Ų37.228%0.28320%0.202SC..  trans-62.7119.5177.3-172.3-46.6000110.3A187 I188 M189 K276D185-A187 PolarHBondContact O-N 2.82Å; D185-A187 VanDerWaalsContact O-N 3.17Å; D185-A187 WeakPolarHBondContact OD1-CB 3.35Å; D185-A187 PolarHBondContact OD1-N 2.76Å; D185-I188 HydrophobicContact CB-CB 4.19Å; D185-I188 HydrophobicContact CB-CG1 3.8Å; D185-I188 WeakPolarHBondContact O-CA 3.17Å; D185-I188 WeakPolarHBondContact O-CB 3.27Å; D185-I188 PolarHBondContact O-N 2.88Å; D185-M189 PolarHBondContact O-N 2.7Å; D185-K276 HydrophobicContact CB-CB 3.83Å; D185-K276 PolarHBondContact N-O 3.33Å
186P98.4Very high98.3Very high89 Ų8945 Ų4558%0.57824%0.244SC*.Hα-helixtrans-58.6-31.1-176.4-27.235.9000114.1L184 I188 M189 D190L184-P186 VanDerWaalsContact O-CD 3.3Å; L184-P186 WeakPolarHBondContact O-CD 3.46Å; P186-I188 VanDerWaalsContact C-N 3.29Å; P186-I188 PolarHBondContact O-N 2.79Å; P186-M189 PolarHBondContact O-N 3.41Å; P186-D190 PolarHBondContact O-N 3.24Å
187A98.3Very high98.2Very high70 Ų7048.6 Ų48.658%0.57928%0.283SS*.Hα-helixtrans-72-27177.500000112.1D185D185-A187 PolarHBondContact O-N 2.82Å; D185-A187 VanDerWaalsContact O-N 3.17Å; D185-A187 WeakPolarHBondContact OD1-CB 3.35Å; D185-A187 PolarHBondContact OD1-N 2.76Å
188I98.5Very high98.1Very high25 Ų2551.5 Ų51.513%0.12830%0.301CS..Hα-helixtrans-75.1-43.2170.3-58.1-60.4000109.9D185 P186 D190 Q191 F192 V274 K276D185-I188 HydrophobicContact CB-CB 4.19Å; D185-I188 HydrophobicContact CB-CG1 3.8Å; D185-I188 WeakPolarHBondContact O-CA 3.17Å; D185-I188 WeakPolarHBondContact O-CB 3.27Å; D185-I188 PolarHBondContact O-N 2.88Å; P186-I188 VanDerWaalsContact C-N 3.29Å; P186-I188 PolarHBondContact O-N 2.79Å; I188-D190 VanDerWaalsContact C-N 3.31Å; I188-D190 PolarHBondContact O-N 3.4Å; I188-Q191 WeakPolarHBondContact O-CB 3.32Å; I188-Q191 WeakPolarHBondContact O-CG 3.3Å; I188-Q191 PolarHBondContact O-N 3.1Å; I188-F192 HydrophobicContact CG2-CE2 4.41Å; I188-F192 WeakPolarHBondContact O-CE2 3.11Å; I188-V274 WeakPolarHBondContact CG2-O 3.29Å; I188-K276 HydrophobicContact CD1-CD 4.25Å; I188-K276 HydrophobicContact CG1-CB 4.34Å; I188-K276 HydrophobicContact CG1-CD 4.05Å; I188-K276 HydrophobicContact CG1-CG 4.16Å
189M98.7Very high98.1Very high4 Ų453.7 Ų53.72%0.0232%0.317CS..Hα-helixtrans-64.2-31.1-180-65.7-59.591.700113.8L184 D185 P186 Q191 F192 I244 P246 V253 F275L184-M189 HydrophobicContact CB-CE 3.89Å; L184-M189 HydrophobicContact CB-CG 3.7Å; L184-M189 HydrophobicContact CB-SD 3.68Å; L184-M189 HydrophobicContact CD1-SD 4.16Å; L184-M189 HydrophobicContact CD2-CE 3.64Å; L184-M189 HydrophobicContact CD2-SD 4.06Å; L184-M189 HydrophobicContact CG-CE 4.3Å; L184-M189 HydrophobicContact CG-SD 4.17Å; D185-M189 PolarHBondContact O-N 2.7Å; P186-M189 PolarHBondContact O-N 3.41Å; M189-Q191 PolarHBondContact O-N 2.88Å; M189-F192 HydrophobicContact CE-CD2 4.05Å; M189-F192 HydrophobicContact CE-CE2 3.9Å; M189-F192 PolarHBondContact O-N 2.83Å; M189-I244 HydrophobicContact SD-CG2 4.17Å; M189-P246 HydrophobicContact CB-CB 3.94Å; M189-P246 WeakPolarHBondContact CB-O 3.19Å; M189-P246 HydrophobicContact SD-CB 4.21Å; M189-V253 HydrophobicContact CE-CG2 4.18Å; M189-V253 HydrophobicContact SD-CG2 4.3Å; M189-F275 HydrophobicContact CE-CD1 4.35Å
190D98.4Very high98Very high83 Ų8354.6 Ų54.644%0.44432%0.324SS..G310 helixtrans-57.1-21.4175-178.669.6000113.8P186 I188 F192 K195P186-D190 PolarHBondContact O-N 3.24Å; I188-D190 VanDerWaalsContact C-N 3.31Å; I188-D190 PolarHBondContact O-N 3.4Å; D190-F192 PolarHBondContact O-N 3.08Å; D190-K195 WeakPolarHBondContact O-CE 3.23Å; D190-K195 PolarHBondContact O-NZ 3.39Å; D190-K195 IonicContact OD1-NZ 3.57Å; D190-K195 IonicContact OD2-NZ 3.58Å; D190-K195 PolarHBondContact OD2-NZ 2.87Å
191Q98.4Very high98Very high56 Ų5659.4 Ų59.426%0.26235%0.35SS..G310 helixtrans-68.8-21175.6-59.2178.338.100113I188 M189 S207I188-Q191 WeakPolarHBondContact O-CB 3.32Å; I188-Q191 WeakPolarHBondContact O-CG 3.3Å; I188-Q191 PolarHBondContact O-N 3.1Å; M189-Q191 PolarHBondContact O-N 2.88Å; Q191-S207 VanDerWaalsContact OE1-CB 3.23Å
192F98.4Very high97.9Very high0 Ų061.2 Ų61.20%036%0.36CS..G310 helixtrans-104.717.6-174.5-51.7-73.9000113.1I188 M189 D190 V203 I209 C226 G227 Y228 I244 P246 F275I188-F192 HydrophobicContact CG2-CE2 4.41Å; I188-F192 WeakPolarHBondContact O-CE2 3.11Å; M189-F192 HydrophobicContact CE-CD2 4.05Å; M189-F192 HydrophobicContact CE-CE2 3.9Å; M189-F192 PolarHBondContact O-N 2.83Å; D190-F192 PolarHBondContact O-N 3.08Å; F192-V203 HydrophobicContact CD1-CG1 3.6Å; F192-V203 HydrophobicContact CE1-CG1 3.59Å; F192-I209 HydrophobicContact CE1-CD1 3.75Å; F192-I209 HydrophobicContact CZ-CD1 3.92Å; F192-C226 WeakPolarHBondContact O-CA 3.45Å; F192-G227 PolarHBondContact O-N 3.07Å; F192-Y228 HydrophobicContact CD1-CD1 4.32Å; F192-Y228 HydrophobicContact CD1-CD2 4.3Å; F192-Y228 AromaticContact CD1-CG 3.85Å; F192-Y228 HydrophobicContact CD1-CG 3.85Å; F192-Y228 HydrophobicContact CE1-CD1 4.34Å; F192-Y228 HydrophobicContact CE1-CG 4.25Å; F192-I244 HydrophobicContact CB-CG2 4.03Å; F192-I244 HydrophobicContact CD1-CD1 3.53Å; F192-I244 HydrophobicContact CD1-CG2 4.49Å; F192-I244 HydrophobicContact CD2-CD1 3.99Å; F192-I244 HydrophobicContact CD2-CG2 3.82Å; F192-I244 HydrophobicContact CE1-CD1 3.27Å; F192-I244 HydrophobicContact CE2-CD1 3.77Å; F192-I244 HydrophobicContact CE2-CG2 4.43Å; F192-I244 HydrophobicContact CG-CD1 3.88Å; F192-I244 HydrophobicContact CG-CG2 3.84Å; F192-I244 HydrophobicContact CZ-CD1 3.4Å; F192-I244 VanDerWaalsContact CZ-CD1 3.4Å; F192-P246 HydrophobicContact CB-CB 4.14Å; F192-P246 HydrophobicContact CB-CG 4.3Å; F192-F275 HydrophobicContact CE2-CE1 4.31Å; F192-F275 AromaticContact CZ-CE1 3.99Å; F192-F275 HydrophobicContact CZ-CE1 3.99Å
193F98.3Very high97.9Very high68 Ų6861.4 Ų61.430%0.29836%0.361SS..BIsolated β-bridgetrans-94.1141163.2-75.7-101.5000109.5K195 C226 P246F193-K195 PolarHBondContact O-N 3.21Å; F193-C226 HydrophobicContact CB-CB 4.32Å; F193-C226 HydrophobicContact CD1-CB 3.34Å; F193-C226 HydrophobicContact CD2-CB 4.16Å; F193-C226 HydrophobicContact CE1-CB 3.46Å; F193-C226 VanDerWaalsContact CE1-CB 3.46Å; F193-C226 HydrophobicContact CE2-CB 4.28Å; F193-C226 HydrophobicContact CG-CB 3.7Å; F193-C226 HydrophobicContact CZ-CB 3.94Å; F193-P246 HydrophobicContact CD2-CB 4.27Å; F193-P246 HydrophobicContact CD2-CG 4.24Å; F193-P246 HydrophobicContact CE2-CB 3.74Å; F193-P246 HydrophobicContact CE2-CG 3.82Å; F193-P246 HydrophobicContact CZ-CB 4.44Å; F193-P246 HydrophobicContact CZ-CG 4.19Å
194M97.1Very high97.9Very high103 Ų10356.7 Ų56.751%0.50734%0.335SS..  trans-62.1133.7177.2-71.4-17072.200110.8M222 F223 N224 P225M194-M222 HydrophobicContact CG-CB 4.36Å; M194-M222 HydrophobicContact CG-CE 4.3Å; M194-F223 WeakPolarHBondContact CG-O 3.23Å; M194-N224 VanDerWaalsContact SD-CA 3.59Å; M194-N224 HydrophobicContact SD-CB 3.63Å; M194-P225 PolarHBondContact N-O 2.84Å
195K97Very high97.9Very high88 Ų8861.3 Ų61.338%0.38335%0.352SS..  trans-132.6139.2179.1-69.1170.7-178171.10109.1D190 F193 G197 V198D190-K195 WeakPolarHBondContact O-CE 3.23Å; D190-K195 PolarHBondContact O-NZ 3.39Å; D190-K195 IonicContact OD1-NZ 3.57Å; D190-K195 IonicContact OD2-NZ 3.58Å; D190-K195 PolarHBondContact OD2-NZ 2.87Å; F193-K195 PolarHBondContact O-N 3.21Å; K195-G197 PolarHBondContact O-N 2.85Å; K195-V198 HydrophobicContact CB-CB 4.12Å; K195-V198 HydrophobicContact CB-CG2 3.79Å; K195-V198 PolarHBondContact O-N 3.13Å; K195-V198 VanDerWaalsContact O-N 3.07Å
196D96.1Very high97.9Very high173 Ų17365.5 Ų65.593%0.92537%0.372SS*.THydrogen-bonded Turntrans-55.5128.5179.9-71.3-28.5000111.1V198D196-V198 VanDerWaalsContact C-N 3.26Å; D196-V198 PolarHBondContact O-N 3.07Å
197G95.7Very high97.9Very high85 Ų8562 Ų6288%0.87635%0.349SS*.THydrogen-bonded Turntrans74.45.6179.100000115.7K195K195-G197 PolarHBondContact O-N 2.85Å
198V97.3Very high97.9Very high62 Ų6259.7 Ų59.738%0.37633%0.333SS..  trans-104.6116.1176.7-174.50000109.9K195 D196 D202 V203K195-V198 HydrophobicContact CB-CB 4.12Å; K195-V198 HydrophobicContact CB-CG2 3.79Å; K195-V198 PolarHBondContact O-N 3.13Å; K195-V198 VanDerWaalsContact O-N 3.07Å; D196-V198 VanDerWaalsContact C-N 3.26Å; D196-V198 PolarHBondContact O-N 3.07Å; V198-D202 HydrophobicContact CG1-CB 4.06Å; V198-V203 HydrophobicContact CG1-CG2 3.74Å
199S97.8Very high97.9Very high52 Ų5258.5 Ų58.536%0.36433%0.327SS..  trans-84.6162.4177.672.40000112.4N201 D202 V203S199-N201 PolarHBondContact O-N 2.69Å; S199-D202 WeakPolarHBondContact CB-OD2 3.24Å; S199-D202 PolarHBondContact N-OD2 2.99Å; S199-D202 VanDerWaalsContact N-OD2 3.14Å; S199-D202 WeakPolarHBondContact O-CB 3.14Å; S199-D202 PolarHBondContact O-N 3.05Å; S199-D202 VanDerWaalsContact OG-CG 3.24Å; S199-D202 PolarHBondContact OG-N 2.8Å; S199-D202 VanDerWaalsContact OG-N 3.15Å; S199-D202 PolarHBondContact OG-OD2 3Å; S199-V203 PolarHBondContact O-N 3.02Å
200A97.8Very high97.9Very high20 Ų2063.4 Ų63.417%0.16535%0.345CS..Hα-helixtrans-54.6-40.6171.900000111.8D202 V203 T204 A220 M222A200-D202 VanDerWaalsContact C-N 3.35Å; A200-D202 PolarHBondContact O-N 3.16Å; A200-V203 WeakPolarHBondContact O-CB 3.35Å; A200-V203 PolarHBondContact O-N 3.26Å; A200-T204 PolarHBondContact O-N 3.09Å; A200-T204 PolarHBondContact O-OG1 2.8Å; A200-A220 HydrophobicContact CB-CB 4.23Å; A200-A220 WeakPolarHBondContact CB-O 3.5Å; A200-M222 HydrophobicContact CB-CG 3.84Å
201N97.8Very high97.9Very high102 Ų10263.2 Ų63.255%0.54534%0.344SS..Hα-helixtrans-64.9-35.1176.9-176.849.3000113S199 R205S199-N201 PolarHBondContact O-N 2.69Å; N201-R205 WeakPolarHBondContact O-CB 3.17Å; N201-R205 PolarHBondContact O-N 2.83Å; N201-R205 VanDerWaalsContact O-N 3.08Å
202D98.3Very high97.9Very high39 Ų3961 Ų6121%0.20933%0.333CS..Hα-helixtrans-65.5-43.7173-63.9-53.4000110.8V198 S199 A200 R205 M206V198-D202 HydrophobicContact CG1-CB 4.06Å; S199-D202 WeakPolarHBondContact CB-OD2 3.24Å; S199-D202 PolarHBondContact N-OD2 2.99Å; S199-D202 VanDerWaalsContact N-OD2 3.14Å; S199-D202 WeakPolarHBondContact O-CB 3.14Å; S199-D202 PolarHBondContact O-N 3.05Å; S199-D202 VanDerWaalsContact OG-CG 3.24Å; S199-D202 PolarHBondContact OG-N 2.8Å; S199-D202 VanDerWaalsContact OG-N 3.15Å; S199-D202 PolarHBondContact OG-OD2 3Å; A200-D202 VanDerWaalsContact C-N 3.35Å; A200-D202 PolarHBondContact O-N 3.16Å; D202-R205 PolarHBondContact O-N 2.6Å; D202-R205 IonicContact OD1-CZ 3.52Å; D202-R205 IonicContact OD1-NH1 3.6Å; D202-R205 IonicContact OD1-NH2 2.74Å; D202-R205 PolarHBondContact OD1-NH2 3.02Å; D202-M206 HydrophobicContact CB-SD 4.43Å; D202-M206 VanDerWaalsContact O-CB 3.31Å; D202-M206 WeakPolarHBondContact O-CB 3.44Å; D202-M206 VanDerWaalsContact O-CG 3.24Å; D202-M206 WeakPolarHBondContact O-CG 3.46Å; D202-M206 PolarHBondContact O-N 2.83Å
203V98.5Very high97.9Very high8 Ų861.1 Ų61.15%0.04833%0.334CS..Hα-helixtrans-60.9-47.5174.6178.30000111.1F192 V198 S199 A200 R205 M206 S207 M222 Y228F192-V203 HydrophobicContact CD1-CG1 3.6Å; F192-V203 HydrophobicContact CE1-CG1 3.59Å; V198-V203 HydrophobicContact CG1-CG2 3.74Å; S199-V203 PolarHBondContact O-N 3.02Å; A200-V203 WeakPolarHBondContact O-CB 3.35Å; A200-V203 PolarHBondContact O-N 3.26Å; V203-R205 PolarHBondContact O-N 3.4Å; V203-M206 PolarHBondContact O-N 2.83Å; V203-S207 VanDerWaalsContact O-CB 3.23Å; V203-S207 WeakPolarHBondContact O-CB 3.46Å; V203-S207 PolarHBondContact O-N 2.87Å; V203-S207 PolarHBondContact O-OG 3.05Å; V203-M222 HydrophobicContact CB-SD 4.3Å; V203-M222 HydrophobicContact CG1-SD 4.22Å; V203-M222 HydrophobicContact CG2-CE 4.39Å; V203-M222 HydrophobicContact CG2-SD 3.98Å; V203-Y228 HydrophobicContact CG1-CD2 4.32Å; V203-Y228 HydrophobicContact CG1-CE2 4.41Å
204T98.7Very high97.9Very high1 Ų162 Ų621%0.00635%0.347CS..Hα-helixtrans-55.5-40.5177.1-48.90000111.7A200 S207 I209 R210 I218 Y228A200-T204 PolarHBondContact O-N 3.09Å; A200-T204 PolarHBondContact O-OG1 2.8Å; T204-S207 PolarHBondContact O-OG 2.9Å; T204-I209 HydrophobicContact CG2-CB 4.24Å; T204-I209 HydrophobicContact CG2-CG2 3.9Å; T204-I209 PolarHBondContact O-N 2.9Å; T204-R210 HydrophobicContact CG2-CB 4.06Å; T204-R210 PolarHBondContact O-N 3.41Å; T204-I218 HydrophobicContact CG2-CD1 4.04Å; T204-I218 HydrophobicContact CG2-CG2 4.03Å; T204-Y228 PolarHBondContact OG1-OH 2.86Å
205R98.4Very high97.9Very high107 Ų10760.6 Ų60.640%0.40436%0.359SS..Hα-helixtrans-74.8-48.9179.3-178177.868.9-128.4-9112.2N201 D202 V203 G208N201-R205 WeakPolarHBondContact O-CB 3.17Å; N201-R205 PolarHBondContact O-N 2.83Å; N201-R205 VanDerWaalsContact O-N 3.08Å; D202-R205 PolarHBondContact O-N 2.6Å; D202-R205 IonicContact OD1-CZ 3.52Å; D202-R205 IonicContact OD1-NH1 3.6Å; D202-R205 IonicContact OD1-NH2 2.74Å; D202-R205 PolarHBondContact OD1-NH2 3.02Å; V203-R205 PolarHBondContact O-N 3.4Å; R205-G208 PolarHBondContact O-N 3.17Å
206M97.7Very high98Very high141 Ų14157.6 Ų57.670%0.69535%0.349SS*.Hα-helixtrans-73.5-32.1-172-69.8173.164.700112.9D202 V203 G208D202-M206 HydrophobicContact CB-SD 4.43Å; D202-M206 VanDerWaalsContact O-CB 3.31Å; D202-M206 WeakPolarHBondContact O-CB 3.44Å; D202-M206 VanDerWaalsContact O-CG 3.24Å; D202-M206 WeakPolarHBondContact O-CG 3.46Å; D202-M206 PolarHBondContact O-N 2.83Å; V203-M206 PolarHBondContact O-N 2.83Å; M206-G208 PolarHBondContact O-N 2.89Å
207S98.3Very high98.1Very high15 Ų1553.4 Ų53.411%0.10533%0.329CS..THydrogen-bonded Turntrans-71.7-15.717560.10000113.7Q191 V203 T204 I209 V274Q191-S207 VanDerWaalsContact OE1-CB 3.23Å; V203-S207 VanDerWaalsContact O-CB 3.23Å; V203-S207 WeakPolarHBondContact O-CB 3.46Å; V203-S207 PolarHBondContact O-N 2.87Å; V203-S207 PolarHBondContact O-OG 3.05Å; T204-S207 PolarHBondContact O-OG 2.9Å; S207-I209 VanDerWaalsContact C-N 3.31Å; S207-I209 WeakPolarHBondContact OG-CD1 3.19Å; S207-I209 VanDerWaalsContact OG-CG1 3.32Å; S207-I209 WeakPolarHBondContact OG-CG1 3.37Å; S207-I209 PolarHBondContact OG-N 2.86Å; S207-V274 WeakPolarHBondContact O-CG1 3.39Å
208G98.5Very high98.2Very high22 Ų2251.5 Ų51.523%0.22730%0.299CS..SBendtrans85-1.7-17300000114.3R205 M206 R210 D211R205-G208 PolarHBondContact O-N 3.17Å; M206-G208 PolarHBondContact O-N 2.89Å; G208-R210 VanDerWaalsContact C-N 3.28Å; G208-R210 PolarHBondContact O-N 2.85Å; G208-D211 PolarHBondContact O-N 2.97Å; G208-D211 VanDerWaalsContact O-N 3.13Å
209I98.8Very high98.3Very high0 Ų050 Ų500%029%0.288CS..G310 helixtrans-53.9-45.4177.8-74172.4000111.3F192 T204 S207 D211 L212 Y228 M230 W240 I242 I244 V274 F275F192-I209 HydrophobicContact CE1-CD1 3.75Å; F192-I209 HydrophobicContact CZ-CD1 3.92Å; T204-I209 HydrophobicContact CG2-CB 4.24Å; T204-I209 HydrophobicContact CG2-CG2 3.9Å; T204-I209 PolarHBondContact O-N 2.9Å; S207-I209 VanDerWaalsContact C-N 3.31Å; S207-I209 WeakPolarHBondContact OG-CD1 3.19Å; S207-I209 VanDerWaalsContact OG-CG1 3.32Å; S207-I209 WeakPolarHBondContact OG-CG1 3.37Å; S207-I209 PolarHBondContact OG-N 2.86Å; I209-D211 PolarHBondContact O-N 2.66Å; I209-L212 WeakPolarHBondContact O-CB 3.49Å; I209-L212 WeakPolarHBondContact O-CG 3.44Å; I209-L212 PolarHBondContact O-N 2.7Å; I209-L212 VanDerWaalsContact O-N 3.08Å; I209-Y228 HydrophobicContact CD1-CD1 4.41Å; I209-Y228 HydrophobicContact CD1-CE1 3.81Å; I209-M230 HydrophobicContact CG2-CE 4.41Å; I209-M230 HydrophobicContact CG2-CG 4.31Å; I209-M230 HydrophobicContact CG2-SD 4.43Å; I209-W240 HydrophobicContact CG2-CH2 4.14Å; I209-W240 HydrophobicContact CG2-CZ3 4Å; I209-W240 VanDerWaalsContact O-CH2 3.29Å; I209-W240 WeakPolarHBondContact O-CH2 3.32Å; I209-I242 HydrophobicContact CG1-CD1 4.31Å; I209-I242 HydrophobicContact CG2-CD1 3.87Å; I209-I244 HydrophobicContact CD1-CD1 4.15Å; I209-V274 HydrophobicContact CG1-CG1 4.36Å; I209-F275 HydrophobicContact CD1-CE1 4.11Å; I209-F275 HydrophobicContact CD1-CZ 3.85Å; I209-F275 HydrophobicContact CG1-CE1 4.33Å; I209-F275 HydrophobicContact CG1-CZ 3.8Å
210R98.6Very high98.3Very high106 Ų10648.5 Ų48.540%0.428%0.28SS..G310 helixtrans-50.9-35.1-178.8-172.6-16665.7-168.1-11.2112.9T204 G208 I218T204-R210 HydrophobicContact CG2-CB 4.06Å; T204-R210 PolarHBondContact O-N 3.41Å; G208-R210 VanDerWaalsContact C-N 3.28Å; G208-R210 PolarHBondContact O-N 2.85Å; R210-I218 HydrophobicContact CB-CD1 4.38Å; R210-I218 HydrophobicContact CG-CD1 4.14Å
211D98.4Very high98.3Very high80 Ų8048.8 Ų48.843%0.42828%0.279SS..G310 helixtrans-96.41.6-170.2-58.8-29000112.7G208 I209G208-D211 PolarHBondContact O-N 2.97Å; G208-D211 VanDerWaalsContact O-N 3.13Å; I209-D211 PolarHBondContact O-N 2.66Å
212L98.7Very high98.3Very high8 Ų845.4 Ų45.44%0.04226%0.26CS..THydrogen-bonded Turntrans-61.8-48.5174.1-72.6174.5000111.6I209 W240 I242 F255 K270 V271 V274 F275I209-L212 WeakPolarHBondContact O-CB 3.49Å; I209-L212 WeakPolarHBondContact O-CG 3.44Å; I209-L212 PolarHBondContact O-N 2.7Å; I209-L212 VanDerWaalsContact O-N 3.08Å; L212-W240 HydrophobicContact CB-CH2 4.4Å; L212-W240 HydrophobicContact CB-CZ3 4.2Å; L212-W240 HydrophobicContact CD1-CZ3 4.3Å; L212-I242 HydrophobicContact CD1-CD1 3.82Å; L212-F255 HydrophobicContact CD1-CD2 4.43Å; L212-F255 HydrophobicContact CD1-CE2 4.34Å; L212-K270 HydrophobicContact CD2-CB 3.95Å; L212-V271 HydrophobicContact CD1-CG2 4.32Å; L212-V271 HydrophobicContact CD2-CG2 3.98Å; L212-V274 HydrophobicContact CD2-CG2 3.94Å; L212-F275 HydrophobicContact CD1-CE2 4.4Å
213I98.6Very high98.2Very high4 Ų445.8 Ų45.82%0.02126%0.26CS..SBendtrans-128.287.6175-56.9179.6000108.8S216 K234 W240 F255 T257 L259 L267I213-S216 PolarHBondContact O-OG 3.4Å; I213-K234 HydrophobicContact CG2-CD 3.99Å; I213-W240 HydrophobicContact CB-CD2 4.25Å; I213-W240 HydrophobicContact CB-CZ2 4.04Å; I213-W240 HydrophobicContact CD1-CB 3.82Å; I213-W240 HydrophobicContact CD1-CD2 3.89Å; I213-W240 HydrophobicContact CD1-CE3 4.44Å; I213-W240 HydrophobicContact CD1-CG 3.61Å; I213-W240 HydrophobicContact CG1-CD2 4.3Å; I213-W240 HydrophobicContact CG1-CG 4.47Å; I213-F255 HydrophobicContact CD1-CE2 4.42Å; I213-F255 HydrophobicContact CD1-CZ 3.99Å; I213-T257 HydrophobicContact CD1-CG2 4.36Å; I213-L259 HydrophobicContact CD1-CB 4.25Å; I213-L259 HydrophobicContact CD1-CD2 3.88Å; I213-L259 HydrophobicContact CG1-CD2 3.99Å; I213-L259 HydrophobicContact CG2-CD1 4.42Å; I213-L259 HydrophobicContact CG2-CD2 4.1Å; I213-L267 HydrophobicContact CG1-CD1 4.31Å
214P98Very high98Very high85 Ų8552 Ų5255%0.55229%0.293SS*.THydrogen-bonded Turntrans-60.5150.7-177-2534.8000113.7S216P214-S216 VanDerWaalsContact C-N 3.32Å
215G97.4Very high97.9Very high75 Ų7556 Ų5677%0.77332%0.32SS*.THydrogen-bonded Turntrans76.418.3179.100000114.2
216S98.1Very high97.8Very high24 Ų2451.8 Ų51.817%0.16831%0.306CS..  trans-88.9145.7174.3-55.80000111.4I213 P214 M233 W240I213-S216 PolarHBondContact O-OG 3.4Å; P214-S216 VanDerWaalsContact C-N 3.32Å; S216-M233 CarbonylContact C-O 3.54Å; S216-M233 VanDerWaalsContact CA-O 3.28Å; S216-M233 WeakPolarHBondContact CA-O 3.35Å; S216-W240 PolarHBondContact OG-NE1 2.81Å
217V98.1Very high97.8Very high85 Ų8545.4 Ų45.452%0.51528%0.276SS..EExtended strand (participates in β ladder)trans-78.8123.7159-179.10000106.8T55 G232 M233T55-V217 HydrophobicContact CG2-CG1 3.86Å; V217-G232 CarbonylContact O-C 3.54Å; V217-G232 VanDerWaalsContact O-CA 3.31Å; V217-G232 WeakPolarHBondContact O-CA 3.41Å; V217-M233 PolarHBondContact N-O 3.46Å; V217-M233 PolarHBondContact O-N 2.93Å
218I98.6Very high97.8Very high46 Ų4644.7 Ų44.724%0.23627%0.272CS..EExtended strand (participates in β ladder)trans-113.9128.9-177.4-66.4172.9000109.4T204 R210 A220 M230 N231 W240T204-I218 HydrophobicContact CG2-CD1 4.04Å; T204-I218 HydrophobicContact CG2-CG2 4.03Å; R210-I218 HydrophobicContact CB-CD1 4.38Å; R210-I218 HydrophobicContact CG-CD1 4.14Å; I218-A220 HydrophobicContact CG2-CB 4.19Å; I218-M230 HydrophobicContact CB-CE 4.13Å; I218-M230 HydrophobicContact CD1-CE 3.97Å; I218-M230 HydrophobicContact CG1-CE 3.7Å; I218-M230 HydrophobicContact CG2-CB 4.4Å; I218-M230 HydrophobicContact CG2-CE 3.49Å; I218-M230 VanDerWaalsContact CG2-CE 3.49Å; I218-N231 WeakPolarHBondContact CA-O 3.33Å; I218-W240 HydrophobicContact CD1-CH2 3.9Å; I218-W240 HydrophobicContact CD1-CZ2 3.76Å; I218-W240 HydrophobicContact CG1-CH2 4.47Å; I218-W240 HydrophobicContact CG1-CZ2 3.99Å
219D98.7Very high97.9Very high29 Ų2944 Ų4416%0.15526%0.263CS..EExtended strand (participates in β ladder)trans-108.8132.7164.6-167.50.7000107.4S53 T55 I64 M230 N231S53-D219 VanDerWaalsContact CB-OD2 3.3Å; S53-D219 WeakPolarHBondContact CB-OD2 3.28Å; S53-D219 VanDerWaalsContact OG-CG 3.23Å; S53-D219 PolarHBondContact OG-OD1 2.85Å; S53-D219 PolarHBondContact OG-OD2 2.6Å; T55-D219 WeakPolarHBondContact OG1-CB 2.8Å; T55-D219 PolarHBondContact OG1-OD2 2.8Å; T55-D219 VanDerWaalsContact OG1-OD2 3.12Å; I64-D219 HydrophobicContact CD1-CB 3.97Å; I64-D219 WeakPolarHBondContact CD1-O 3.44Å; D219-M230 CarbonylContact O-C 3.57Å; D219-M230 WeakPolarHBondContact O-CA 3.31Å; D219-M230 VanDerWaalsContact O-CB 3.26Å; D219-M230 WeakPolarHBondContact O-CB 3.15Å; D219-N231 PolarHBondContact N-O 2.86Å; D219-N231 PolarHBondContact O-N 3.44Å
220A98.5Very high97.9Very high22 Ų2244 Ų4418%0.18226%0.263CS..EExtended strand (participates in β ladder)trans-147.7141.9-173.900000112.1A200 I218 Y228 S229 M230A200-A220 HydrophobicContact CB-CB 4.23Å; A200-A220 WeakPolarHBondContact CB-O 3.5Å; I218-A220 HydrophobicContact CG2-CB 4.19Å; A220-Y228 HydrophobicContact CB-CE2 3.88Å; A220-Y228 WeakPolarHBondContact CB-OH 3.39Å; A220-S229 WeakPolarHBondContact CA-O 3.46Å; A220-M230 HydrophobicContact CB-CB 3.79Å
221T98.4Very high97.9Very high25 Ų2539.1 Ų39.115%0.15325%0.245CC..EExtended strand (participates in β ladder)trans-131.7136.4-178.8-63.90000110.3I52 F223 Y228 S229I52-T221 HydrophobicContact CD1-CG2 4.11Å; I52-T221 HydrophobicContact CG2-CG2 4.25Å; T221-F223 HydrophobicContact CG2-CD2 4.43Å; T221-F223 HydrophobicContact CG2-CE1 4.48Å; T221-F223 HydrophobicContact CG2-CE2 4.1Å; T221-F223 HydrophobicContact CG2-CZ 4.14Å; T221-Y228 WeakPolarHBondContact O-CA 3.48Å; T221-S229 PolarHBondContact N-O 2.85Å; T221-S229 PolarHBondContact O-N 2.85Å
222M98Very high97.9Very high31 Ų3135.3 Ų35.315%0.15323%0.225CC..EExtended strand (participates in β ladder)trans-97.8138.5166.1-71.7-73.9-63.400109.1M194 A200 V203 Y228M194-M222 HydrophobicContact CG-CB 4.36Å; M194-M222 HydrophobicContact CG-CE 4.3Å; A200-M222 HydrophobicContact CB-CG 3.84Å; V203-M222 HydrophobicContact CB-SD 4.3Å; V203-M222 HydrophobicContact CG1-SD 4.22Å; V203-M222 HydrophobicContact CG2-CE 4.39Å; V203-M222 HydrophobicContact CG2-SD 3.98Å; M222-Y228 HydrophobicContact CG-CD2 4.3Å; M222-Y228 HydrophobicContact SD-CD2 3.62Å; M222-Y228 HydrophobicContact SD-CG 4.3Å
223F96.1Very high97.9Very high47 Ų4735 Ų3521%0.20622%0.223CC..PPolyproline II helixtrans-103.6151-179.9-65-95.4000110.8I52 S66 M194 T221 P225 C226 G227I52-F223 HydrophobicContact CD1-CE1 3.48Å; I52-F223 VanDerWaalsContact CD1-CE1 3.48Å; I52-F223 HydrophobicContact CD1-CZ 3.67Å; S66-F223 WeakPolarHBondContact O-CE1 3.24Å; M194-F223 WeakPolarHBondContact CG-O 3.23Å; T221-F223 HydrophobicContact CG2-CD2 4.43Å; T221-F223 HydrophobicContact CG2-CE1 4.48Å; T221-F223 HydrophobicContact CG2-CE2 4.1Å; T221-F223 HydrophobicContact CG2-CZ 4.14Å; F223-P225 CarbonylContact O-C 3.54Å; F223-P225 VanDerWaalsContact O-C 3.28Å; F223-C226 WeakPolarHBondContact CB-O 3.18Å; F223-C226 CarbonylContact O-C 3.52Å; F223-C226 VanDerWaalsContact O-C 3.29Å; F223-C226 VanDerWaalsContact O-CA 3.29Å; F223-C226 WeakPolarHBondContact O-CA 3.12Å; F223-C226 PolarHBondContact O-N 2.75Å; F223-G227 PolarHBondContact N-O 3.11Å
224N93.4Very high97.9Very high138 Ų13837.3 Ų37.374%0.73823%0.233SC*.SBendtrans-98.3129.7-177.8179.469000111.2M194M194-N224 VanDerWaalsContact SD-CA 3.59Å; M194-N224 HydrophobicContact SD-CB 3.63Å
225P96.3Very high97.7Very high87 Ų8739.6 Ų39.657%0.56525%0.245SC*.SBendcis-82-15.5-1.133.6-35.7000114.1M194 F223M194-P225 PolarHBondContact N-O 2.84Å; F223-P225 CarbonylContact O-C 3.54Å; F223-P225 VanDerWaalsContact O-C 3.28Å
226C97.3Very high97.7Very high17 Ų1739.8 Ų39.812%0.11523%0.229CC..BIsolated β-bridgetrans-149.2167.3-179.561.70000111.7F192 F193 F223 P246F192-C226 WeakPolarHBondContact O-CA 3.45Å; F193-C226 HydrophobicContact CB-CB 4.32Å; F193-C226 HydrophobicContact CD1-CB 3.34Å; F193-C226 HydrophobicContact CD2-CB 4.16Å; F193-C226 HydrophobicContact CE1-CB 3.46Å; F193-C226 VanDerWaalsContact CE1-CB 3.46Å; F193-C226 HydrophobicContact CE2-CB 4.28Å; F193-C226 HydrophobicContact CG-CB 3.7Å; F193-C226 HydrophobicContact CZ-CB 3.94Å; F223-C226 WeakPolarHBondContact CB-O 3.18Å; F223-C226 CarbonylContact O-C 3.52Å; F223-C226 VanDerWaalsContact O-C 3.29Å; F223-C226 VanDerWaalsContact O-CA 3.29Å; F223-C226 WeakPolarHBondContact O-CA 3.12Å; F223-C226 PolarHBondContact O-N 2.75Å; C226-P246 HydrophobicContact CB-CG 3.7Å
227G97.8Very high97.6Very high7 Ų739.3 Ų39.37%0.07223%0.228CC..  trans114.6149-175.500000111.2F192 F223 I244F192-G227 PolarHBondContact O-N 3.07Å; F223-G227 PolarHBondContact N-O 3.11Å; G227-I244 WeakPolarHBondContact CA-O 3.38Å
228Y98.6Very high97.6Very high1 Ų135.7 Ų35.70%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-145.6138.4-179.8172-84.7000110F192 V203 T204 I209 A220 T221 M222 M230 I244F192-Y228 HydrophobicContact CD1-CD1 4.32Å; F192-Y228 HydrophobicContact CD1-CD2 4.3Å; F192-Y228 AromaticContact CD1-CG 3.85Å; F192-Y228 HydrophobicContact CD1-CG 3.85Å; F192-Y228 HydrophobicContact CE1-CD1 4.34Å; F192-Y228 HydrophobicContact CE1-CG 4.25Å; V203-Y228 HydrophobicContact CG1-CD2 4.32Å; V203-Y228 HydrophobicContact CG1-CE2 4.41Å; T204-Y228 PolarHBondContact OG1-OH 2.86Å; I209-Y228 HydrophobicContact CD1-CD1 4.41Å; I209-Y228 HydrophobicContact CD1-CE1 3.81Å; A220-Y228 HydrophobicContact CB-CE2 3.88Å; A220-Y228 WeakPolarHBondContact CB-OH 3.39Å; T221-Y228 WeakPolarHBondContact O-CA 3.48Å; M222-Y228 HydrophobicContact CG-CD2 4.3Å; M222-Y228 HydrophobicContact SD-CD2 3.62Å; M222-Y228 HydrophobicContact SD-CG 4.3Å; Y228-M230 HydrophobicContact CE1-CB 3.71Å; Y228-M230 HydrophobicContact CE1-CG 3.49Å; Y228-M230 VanDerWaalsContact CE1-CG 3.49Å; Y228-M230 WeakPolarHBondContact OH-CB 3.32Å; Y228-M230 WeakPolarHBondContact OH-CG 3.38Å; Y228-I244 HydrophobicContact CD1-CD1 3.67Å; Y228-I244 HydrophobicContact CD1-CG1 4.13Å; Y228-I244 HydrophobicContact CE1-CD1 4.43Å; Y228-I244 HydrophobicContact CG-CD1 4.28Å; Y228-I244 PolarHBondContact N-O 2.84Å; Y228-I244 PolarHBondContact O-N 2.87Å
229S98.7Very high97.6Very high8 Ų833.5 Ų33.56%0.05620%0.195CC..EExtended strand (participates in β ladder)trans-133.9146169.5-68.10000110.3A220 T221 I242 H243A220-S229 WeakPolarHBondContact CA-O 3.46Å; T221-S229 PolarHBondContact N-O 2.85Å; T221-S229 PolarHBondContact O-N 2.85Å; S229-I242 CarbonylContact C-O 3.47Å; S229-I242 VanDerWaalsContact CA-O 3.29Å; S229-I242 WeakPolarHBondContact CA-O 3.43Å; S229-H243 WeakPolarHBondContact CB-ND1 3.38Å; S229-H243 PolarHBondContact OG-ND1 3.31Å
230M98.8Very high97.6Very high0 Ų032.1 Ų32.10%019%0.187CC..EExtended strand (participates in β ladder)trans-146.4150.5172.365.482.356.900112.4I209 I218 D219 A220 Y228 W240 T241 I242I209-M230 HydrophobicContact CG2-CE 4.41Å; I209-M230 HydrophobicContact CG2-CG 4.31Å; I209-M230 HydrophobicContact CG2-SD 4.43Å; I218-M230 HydrophobicContact CB-CE 4.13Å; I218-M230 HydrophobicContact CD1-CE 3.97Å; I218-M230 HydrophobicContact CG1-CE 3.7Å; I218-M230 HydrophobicContact CG2-CB 4.4Å; I218-M230 HydrophobicContact CG2-CE 3.49Å; I218-M230 VanDerWaalsContact CG2-CE 3.49Å; D219-M230 CarbonylContact O-C 3.57Å; D219-M230 WeakPolarHBondContact O-CA 3.31Å; D219-M230 VanDerWaalsContact O-CB 3.26Å; D219-M230 WeakPolarHBondContact O-CB 3.15Å; A220-M230 HydrophobicContact CB-CB 3.79Å; Y228-M230 HydrophobicContact CE1-CB 3.71Å; Y228-M230 HydrophobicContact CE1-CG 3.49Å; Y228-M230 VanDerWaalsContact CE1-CG 3.49Å; Y228-M230 WeakPolarHBondContact OH-CB 3.32Å; Y228-M230 WeakPolarHBondContact OH-CG 3.38Å; M230-W240 HydrophobicContact CE-CD2 4.21Å; M230-W240 HydrophobicContact CE-CE3 3.94Å; M230-W240 HydrophobicContact CE-CH2 3.51Å; M230-W240 HydrophobicContact CE-CZ2 3.8Å; M230-W240 HydrophobicContact CE-CZ3 3.6Å; M230-W240 HydrophobicContact SD-CD2 4.34Å; M230-W240 HydrophobicContact SD-CE3 3.73Å; M230-W240 HydrophobicContact SD-CH2 4.23Å; M230-W240 HydrophobicContact SD-CZ3 3.67Å; M230-T241 VanDerWaalsContact O-CA 3.28Å; M230-T241 WeakPolarHBondContact O-CA 3.28Å; M230-T241 PolarHBondContact O-OG1 3.07Å; M230-I242 HydrophobicContact CG-CB 3.92Å; M230-I242 HydrophobicContact CG-CG1 4.43Å; M230-I242 PolarHBondContact N-O 3.45Å; M230-I242 PolarHBondContact O-N 2.7Å; M230-I242 VanDerWaalsContact O-N 3.08Å; M230-I242 HydrophobicContact SD-CB 4.03Å; M230-I242 HydrophobicContact SD-CD1 4.13Å; M230-I242 HydrophobicContact SD-CG1 3.94Å
231N98.9Very high97.6Very high2 Ų231.1 Ų31.11%0.01118%0.179CC..EExtended strand (participates in β ladder)trans-117.2133.5167.2-73-38.4000109.2A62 Y63 I64 S69 F71 I218 D219 T241A62-N231 HydrophobicContact CB-CB 3.91Å; Y63-N231 PolarHBondContact O-ND2 2.85Å; I64-N231 PolarHBondContact N-ND2 3.4Å; S69-N231 WeakPolarHBondContact CB-OD1 3.45Å; S69-N231 VanDerWaalsContact OG-CG 3.25Å; S69-N231 PolarHBondContact OG-ND2 2.9Å; S69-N231 VanDerWaalsContact OG-ND2 3.09Å; S69-N231 PolarHBondContact OG-OD1 2.84Å; F71-N231 HydrophobicContact CE1-CB 4.29Å; F71-N231 HydrophobicContact CZ-CB 4.14Å; F71-N231 WeakPolarHBondContact CZ-OD1 3.49Å; I218-N231 WeakPolarHBondContact CA-O 3.33Å; D219-N231 PolarHBondContact N-O 2.86Å; D219-N231 PolarHBondContact O-N 3.44Å; N231-T241 WeakPolarHBondContact OD1-CB 3.48Å; N231-T241 PolarHBondContact OD1-OG1 3.03Å
232G98.7Very high97.7Very high0 Ų030 Ų300%017%0.172CC..EExtended strand (participates in β ladder)trans-118.5137.3173.300000111V217 Y239 W240V217-G232 CarbonylContact O-C 3.54Å; V217-G232 VanDerWaalsContact O-CA 3.31Å; V217-G232 WeakPolarHBondContact O-CA 3.41Å; G232-Y239 CarbonylContact O-C 3.57Å; G232-Y239 VanDerWaalsContact O-CA 3.29Å; G232-Y239 WeakPolarHBondContact O-CA 3.46Å; G232-W240 VanDerWaalsContact C-CD1 3.49Å; G232-W240 PolarHBondContact N-O 2.74Å; G232-W240 VanDerWaalsContact O-CD1 3.25Å; G232-W240 PolarHBondContact O-N 2.84Å
233M98.6Very high97.7Very high2 Ų229 Ų291%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-136.5150.4177.9-62.1-170.3-74.600112.6T55 T57 Q60 A62 S216 V217 T238T55-M233 HydrophobicContact CG2-CE 3.49Å; T55-M233 VanDerWaalsContact CG2-CE 3.49Å; T55-M233 WeakPolarHBondContact O-CE 3.37Å; T57-M233 HydrophobicContact CG2-CB 4.03Å; T57-M233 HydrophobicContact CG2-CE 3.82Å; T57-M233 HydrophobicContact CG2-SD 4.07Å; Q60-M233 HydrophobicContact CG-SD 3.61Å; Q60-M233 PolarHBondContact NE2-SD 3.07Å; Q60-M233 VanDerWaalsContact NE2-SD 3.43Å; A62-M233 HydrophobicContact CB-CE 3.74Å; A62-M233 HydrophobicContact CB-CG 4.15Å; A62-M233 HydrophobicContact CB-SD 3.56Å; A62-M233 VanDerWaalsContact CB-SD 3.56Å; S216-M233 CarbonylContact C-O 3.54Å; S216-M233 VanDerWaalsContact CA-O 3.28Å; S216-M233 WeakPolarHBondContact CA-O 3.35Å; V217-M233 PolarHBondContact N-O 3.46Å; V217-M233 PolarHBondContact O-N 2.93Å; M233-T238 CarbonylContact C-O 3.57Å; M233-T238 WeakPolarHBondContact CA-O 3.5Å
234K98Very high97.8Very high52 Ų5227 Ų2723%0.22616%0.158CC..  trans-121.6159.4171.8-57.6178.769.8-1690111.1I213 D236 G237 T238I213-K234 HydrophobicContact CG2-CD 3.99Å; K234-D236 WeakPolarHBondContact CB-OD1 3.12Å; K234-D236 IonicContact NZ-OD2 2.76Å; K234-D236 PolarHBondContact O-N 2.93Å; K234-D236 VanDerWaalsContact O-N 3.17Å; K234-G237 PolarHBondContact O-N 3.4Å; K234-G237 VanDerWaalsContact O-N 3.12Å; K234-T238 HydrophobicContact CD-CG2 4.24Å; K234-T238 PolarHBondContact N-O 2.78Å
235T95.6Very high98.1Very high133 Ų13321.1 Ų21.182%0.81613%0.127SC*.THydrogen-bonded Turntrans-62.1-22.9179.955.40000113.7K59 G237K59-T235 WeakPolarHBondContact CE-O 3.21Å; T235-G237 VanDerWaalsContact C-N 3.27Å; T235-G237 PolarHBondContact O-N 2.79Å
236D95.8Very high98.2Very high80 Ų8017 Ų1743%0.42810%0.101SC..THydrogen-bonded Turntrans-77.9-7.5178.661.314.2000113.8K59 K234 T238K59-D236 PolarHBondContact NZ-O 3.38Å; K234-D236 WeakPolarHBondContact CB-OD1 3.12Å; K234-D236 IonicContact NZ-OD2 2.76Å; K234-D236 PolarHBondContact O-N 2.93Å; K234-D236 VanDerWaalsContact O-N 3.17Å; D236-T238 VanDerWaalsContact OD1-CB 3.24Å; D236-T238 WeakPolarHBondContact OD1-CB 3.36Å; D236-T238 PolarHBondContact OD1-N 2.79Å; D236-T238 PolarHBondContact OD1-OG1 2.81Å
237G96.7Very high98.2Very high14 Ų1417.6 Ų17.614%0.14410%0.102CC..SBendtrans96.38.1-176.500000113.4Q60 K234 T235 N258Q60-G237 PolarHBondContact OE1-O 2.78Å; K234-G237 PolarHBondContact O-N 3.4Å; K234-G237 VanDerWaalsContact O-N 3.12Å; T235-G237 VanDerWaalsContact C-N 3.27Å; T235-G237 PolarHBondContact O-N 2.79Å; G237-N258 PolarHBondContact O-ND2 2.98Å
238T98.4Very high98.2Very high9 Ų921.3 Ų21.36%0.05513%0.125CC..  trans-65.9132.9166.7-55.10000109.7Q60 M233 K234 D236 N258 L259Q60-T238 PolarHBondContact NE2-O 2.83Å; M233-T238 CarbonylContact C-O 3.57Å; M233-T238 WeakPolarHBondContact CA-O 3.5Å; K234-T238 HydrophobicContact CD-CG2 4.24Å; K234-T238 PolarHBondContact N-O 2.78Å; D236-T238 VanDerWaalsContact OD1-CB 3.24Å; D236-T238 WeakPolarHBondContact OD1-CB 3.36Å; D236-T238 PolarHBondContact OD1-N 2.79Å; D236-T238 PolarHBondContact OD1-OG1 2.81Å; T238-N258 VanDerWaalsContact CA-OD1 3.26Å; T238-N258 WeakPolarHBondContact CA-OD1 3.3Å; T238-L259 HydrophobicContact CG2-CB 3.73Å; T238-L259 HydrophobicContact CG2-CD1 3.85Å; T238-L259 HydrophobicContact CG2-CG 4.39Å
239Y98.8Very high98.1Very high0 Ų028.3 Ų28.30%016%0.158CC..EExtended strand (participates in β ladder)trans-117.9159.5161.580.4-86.9000110.9F71 I78 G232 E256 T257 N258F71-Y239 HydrophobicContact CD1-CD2 4.24Å; F71-Y239 HydrophobicContact CD1-CG 4.2Å; F71-Y239 HydrophobicContact CD2-CD2 4.09Å; F71-Y239 HydrophobicContact CD2-CE2 4.36Å; F71-Y239 AromaticContact CE1-CD2 3.88Å; F71-Y239 HydrophobicContact CE1-CD2 3.88Å; F71-Y239 HydrophobicContact CE1-CG 4.06Å; F71-Y239 AromaticContact CE2-CD2 3.73Å; F71-Y239 HydrophobicContact CE2-CD2 3.73Å; F71-Y239 HydrophobicContact CE2-CE2 4.13Å; F71-Y239 HydrophobicContact CG-CD2 4.34Å; F71-Y239 AromaticContact CZ-CD2 3.6Å; F71-Y239 HydrophobicContact CZ-CD2 3.6Å; F71-Y239 HydrophobicContact CZ-CE2 4.44Å; F71-Y239 HydrophobicContact CZ-CG 4.26Å; I78-Y239 HydrophobicContact CD1-CD1 4.37Å; I78-Y239 HydrophobicContact CD1-CE1 3.55Å; I78-Y239 HydrophobicContact CD1-CE2 4.16Å; I78-Y239 VanDerWaalsContact CD1-CZ 3.44Å; I78-Y239 WeakPolarHBondContact CD1-OH 3.26Å; G232-Y239 CarbonylContact O-C 3.57Å; G232-Y239 VanDerWaalsContact O-CA 3.29Å; G232-Y239 WeakPolarHBondContact O-CA 3.46Å; Y239-E256 HydrophobicContact CE2-CG 4.13Å; Y239-E256 WeakPolarHBondContact CE2-OE1 3.34Å; Y239-E256 PolarHBondContact OH-OE1 3.13Å; Y239-T257 WeakPolarHBondContact O-CA 3.42Å; Y239-T257 WeakPolarHBondContact O-CB 3.24Å; Y239-T257 PolarHBondContact O-OG1 2.97Å; Y239-N258 HydrophobicContact CD1-CB 4.01Å; Y239-N258 VanDerWaalsContact CD1-OD1 3.27Å; Y239-N258 WeakPolarHBondContact CD1-OD1 3.16Å; Y239-N258 HydrophobicContact CE1-CB 3.63Å; Y239-N258 PolarHBondContact N-OD1 3.03Å; Y239-N258 PolarHBondContact O-N 2.94Å; Y239-N258 PolarHBondContact O-OD1 3.25Å
240W98.9Very high98.1Very high0 Ų028.4 Ų28.40%016%0.157CC..EExtended strand (participates in β ladder)trans-152.3151.9163.453.7-66.5000110.1I209 L212 I213 S216 I218 M230 G232 I242 F255 E256I209-W240 HydrophobicContact CG2-CH2 4.14Å; I209-W240 HydrophobicContact CG2-CZ3 4Å; I209-W240 VanDerWaalsContact O-CH2 3.29Å; I209-W240 WeakPolarHBondContact O-CH2 3.32Å; L212-W240 HydrophobicContact CB-CH2 4.4Å; L212-W240 HydrophobicContact CB-CZ3 4.2Å; L212-W240 HydrophobicContact CD1-CZ3 4.3Å; I213-W240 HydrophobicContact CB-CD2 4.25Å; I213-W240 HydrophobicContact CB-CZ2 4.04Å; I213-W240 HydrophobicContact CD1-CB 3.82Å; I213-W240 HydrophobicContact CD1-CD2 3.89Å; I213-W240 HydrophobicContact CD1-CE3 4.44Å; I213-W240 HydrophobicContact CD1-CG 3.61Å; I213-W240 HydrophobicContact CG1-CD2 4.3Å; I213-W240 HydrophobicContact CG1-CG 4.47Å; S216-W240 PolarHBondContact OG-NE1 2.81Å; I218-W240 HydrophobicContact CD1-CH2 3.9Å; I218-W240 HydrophobicContact CD1-CZ2 3.76Å; I218-W240 HydrophobicContact CG1-CH2 4.47Å; I218-W240 HydrophobicContact CG1-CZ2 3.99Å; M230-W240 HydrophobicContact CE-CD2 4.21Å; M230-W240 HydrophobicContact CE-CE3 3.94Å; M230-W240 HydrophobicContact CE-CH2 3.51Å; M230-W240 HydrophobicContact CE-CZ2 3.8Å; M230-W240 HydrophobicContact CE-CZ3 3.6Å; M230-W240 HydrophobicContact SD-CD2 4.34Å; M230-W240 HydrophobicContact SD-CE3 3.73Å; M230-W240 HydrophobicContact SD-CH2 4.23Å; M230-W240 HydrophobicContact SD-CZ3 3.67Å; G232-W240 VanDerWaalsContact C-CD1 3.49Å; G232-W240 PolarHBondContact N-O 2.74Å; G232-W240 VanDerWaalsContact O-CD1 3.25Å; G232-W240 PolarHBondContact O-N 2.84Å; W240-I242 HydrophobicContact CE3-CD1 4.13Å; W240-I242 HydrophobicContact CE3-CG1 4.35Å; W240-I242 HydrophobicContact CZ3-CD1 3.83Å; W240-I242 HydrophobicContact CZ3-CG1 4.49Å; W240-F255 AromaticContact CE3-CE2 3.89Å; W240-F255 HydrophobicContact CE3-CE2 3.89Å; W240-E256 CarbonylContact C-O 3.29Å; W240-E256 WeakPolarHBondContact CA-O 3.41Å; W240-E256 VanDerWaalsContact CB-O 3.28Å; W240-E256 WeakPolarHBondContact CB-O 3.45Å
241T98.9Very high98.1Very high1 Ų128.6 Ų28.61%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-139.4148.4178.1-170.40000110.4S69 F71 M230 N231 H243 F255 E256S69-T241 PolarHBondContact OG-OG1 3.26Å; F71-T241 HydrophobicContact CE2-CG2 4.18Å; M230-T241 VanDerWaalsContact O-CA 3.28Å; M230-T241 WeakPolarHBondContact O-CA 3.28Å; M230-T241 PolarHBondContact O-OG1 3.07Å; N231-T241 WeakPolarHBondContact OD1-CB 3.48Å; N231-T241 PolarHBondContact OD1-OG1 3.03Å; T241-H243 PolarHBondContact OG1-CE1 2.95Å; T241-H243 PolarHBondContact OG1-NE2 2.86Å; T241-F255 WeakPolarHBondContact O-CA 3.48Å; T241-E256 HydrophobicContact CG2-CB 4Å; T241-E256 PolarHBondContact N-O 2.99Å; T241-E256 PolarHBondContact O-N 2.77Å
242I98.9Very high98.1Very high0 Ų028.7 Ų28.70%016%0.159CC..EExtended strand (participates in β ladder)trans-134.9132.5174.8-60.1176.4000109I209 L212 S229 M230 W240 I244 V253 S254 F255 F275I209-I242 HydrophobicContact CG1-CD1 4.31Å; I209-I242 HydrophobicContact CG2-CD1 3.87Å; L212-I242 HydrophobicContact CD1-CD1 3.82Å; S229-I242 CarbonylContact C-O 3.47Å; S229-I242 VanDerWaalsContact CA-O 3.29Å; S229-I242 WeakPolarHBondContact CA-O 3.43Å; M230-I242 HydrophobicContact CG-CB 3.92Å; M230-I242 HydrophobicContact CG-CG1 4.43Å; M230-I242 PolarHBondContact N-O 3.45Å; M230-I242 PolarHBondContact O-N 2.7Å; M230-I242 VanDerWaalsContact O-N 3.08Å; M230-I242 HydrophobicContact SD-CB 4.03Å; M230-I242 HydrophobicContact SD-CD1 4.13Å; M230-I242 HydrophobicContact SD-CG1 3.94Å; W240-I242 HydrophobicContact CE3-CD1 4.13Å; W240-I242 HydrophobicContact CE3-CG1 4.35Å; W240-I242 HydrophobicContact CZ3-CD1 3.83Å; W240-I242 HydrophobicContact CZ3-CG1 4.49Å; I242-I244 HydrophobicContact CG2-CD1 4.03Å; I242-I244 HydrophobicContact CG2-CG1 3.8Å; I242-V253 HydrophobicContact CG2-CG1 3.96Å; I242-S254 VanDerWaalsContact CA-O 3.24Å; I242-S254 WeakPolarHBondContact CA-O 3.37Å; I242-S254 WeakPolarHBondContact CG2-O 3.2Å; I242-F255 HydrophobicContact CD1-CD2 3.82Å; I242-F255 HydrophobicContact CD1-CE2 4.47Å; I242-F255 HydrophobicContact CG1-CB 4.36Å; I242-F255 HydrophobicContact CG1-CD2 3.71Å; I242-F255 HydrophobicContact CG1-CG 4.49Å; I242-F275 HydrophobicContact CD1-CE2 4.21Å; I242-F275 HydrophobicContact CD1-CZ 4.08Å; I242-F275 HydrophobicContact CG2-CE2 4.49Å; I242-F275 HydrophobicContact CG2-CZ 3.9Å
243H98.8Very high98.1Very high10 Ų1028.7 Ų28.75%0.04616%0.159CC..EExtended strand (participates in β ladder)trans-126.3132.8174.5-55.4-74000110E13 S68 S69 S229 T241 V253 S254E13-H243 WeakPolarHBondContact OE1-CB 3.15Å; E13-H243 IonicContact OE1-CD2 3.16Å; E13-H243 PolarHBondContact OE1-CD2 3.48Å; E13-H243 IonicContact OE1-CG 3.1Å; E13-H243 VanDerWaalsContact OE1-CG 3.26Å; E13-H243 IonicContact OE1-NE2 2.86Å; S68-H243 WeakPolarHBondContact CA-CE1 3.5Å; S68-H243 WeakPolarHBondContact CA-ND1 3.3Å; S68-H243 VanDerWaalsContact CB-CE1 3.49Å; S68-H243 WeakPolarHBondContact CB-CE1 3.29Å; S68-H243 PolarHBondContact O-CE1 2.98Å; S69-H243 PolarHBondContact OG-CE1 3.45Å; S69-H243 PolarHBondContact OG-NE2 3.44Å; S229-H243 WeakPolarHBondContact CB-ND1 3.38Å; S229-H243 PolarHBondContact OG-ND1 3.31Å; T241-H243 PolarHBondContact OG1-CE1 2.95Å; T241-H243 PolarHBondContact OG1-NE2 2.86Å; H243-V253 VanDerWaalsContact O-CA 3.29Å; H243-V253 WeakPolarHBondContact O-CA 3.45Å; H243-S254 PolarHBondContact N-O 3.09Å; H243-S254 PolarHBondContact O-N 3.36Å
244I98.8Very high98.1Very high7 Ų728.6 Ų28.64%0.03616%0.158CC..EExtended strand (participates in β ladder)trans-129120.1-170.7-54.4-178.3000109.9M189 F192 I209 G227 Y228 I242 P246 V253 F275M189-I244 HydrophobicContact SD-CG2 4.17Å; F192-I244 HydrophobicContact CB-CG2 4.03Å; F192-I244 HydrophobicContact CD1-CD1 3.53Å; F192-I244 HydrophobicContact CD1-CG2 4.49Å; F192-I244 HydrophobicContact CD2-CD1 3.99Å; F192-I244 HydrophobicContact CD2-CG2 3.82Å; F192-I244 HydrophobicContact CE1-CD1 3.27Å; F192-I244 HydrophobicContact CE2-CD1 3.77Å; F192-I244 HydrophobicContact CE2-CG2 4.43Å; F192-I244 HydrophobicContact CG-CD1 3.88Å; F192-I244 HydrophobicContact CG-CG2 3.84Å; F192-I244 HydrophobicContact CZ-CD1 3.4Å; F192-I244 VanDerWaalsContact CZ-CD1 3.4Å; I209-I244 HydrophobicContact CD1-CD1 4.15Å; G227-I244 WeakPolarHBondContact CA-O 3.38Å; Y228-I244 HydrophobicContact CD1-CD1 3.67Å; Y228-I244 HydrophobicContact CD1-CG1 4.13Å; Y228-I244 HydrophobicContact CE1-CD1 4.43Å; Y228-I244 HydrophobicContact CG-CD1 4.28Å; Y228-I244 PolarHBondContact N-O 2.84Å; Y228-I244 PolarHBondContact O-N 2.87Å; I242-I244 HydrophobicContact CG2-CD1 4.03Å; I242-I244 HydrophobicContact CG2-CG1 3.8Å; I244-P246 HydrophobicContact CG2-CB 4.28Å; I244-V253 HydrophobicContact CB-CG2 4.22Å; I244-V253 HydrophobicContact CG1-CG1 4.03Å; I244-V253 HydrophobicContact CG1-CG2 3.95Å; I244-V253 HydrophobicContact CG2-CG2 3.9Å; I244-F275 HydrophobicContact CD1-CE1 3.69Å; I244-F275 HydrophobicContact CD1-CZ 4.25Å
245T98.6Very high98.1Very high13 Ų1326.1 Ų26.18%0.0815%0.147CC..EExtended strand (participates in β ladder)trans-106.5100.6166.2-570000107.4F9 G11 E247 F250 S251 Y252F9-T245 HydrophobicContact CD1-CG2 3.8Å; G11-T245 WeakPolarHBondContact CA-OG1 3.37Å; T245-E247 VanDerWaalsContact CG2-OE2 3.25Å; T245-E247 WeakPolarHBondContact CG2-OE2 3.46Å; T245-F250 HydrophobicContact CG2-CD2 3.66Å; T245-F250 HydrophobicContact CG2-CE2 3.74Å; T245-S251 VanDerWaalsContact O-CA 3.29Å; T245-S251 WeakPolarHBondContact O-CA 3.36Å; T245-Y252 PolarHBondContact N-O 3.36Å; T245-Y252 PolarHBondContact O-N 2.89Å
246P98.4Very high98.3Very high2 Ų219.8 Ų19.81%0.01311%0.109CC..  trans-88.1-8.1-166.834.6-37.4000115M189 F192 F193 C226 I244M189-P246 HydrophobicContact CB-CB 3.94Å; M189-P246 WeakPolarHBondContact CB-O 3.19Å; M189-P246 HydrophobicContact SD-CB 4.21Å; F192-P246 HydrophobicContact CB-CB 4.14Å; F192-P246 HydrophobicContact CB-CG 4.3Å; F193-P246 HydrophobicContact CD2-CB 4.27Å; F193-P246 HydrophobicContact CD2-CG 4.24Å; F193-P246 HydrophobicContact CE2-CB 3.74Å; F193-P246 HydrophobicContact CE2-CG 3.82Å; F193-P246 HydrophobicContact CZ-CB 4.44Å; F193-P246 HydrophobicContact CZ-CG 4.19Å; C226-P246 HydrophobicContact CB-CG 3.7Å; I244-P246 HydrophobicContact CG2-CB 4.28Å
247E98.3Very high98.5Very high28 Ų2816 Ų1613%0.1319%0.088CC..  trans-59.3131.1-177.9-6496.6130.600111.8H7 T245 E249 F250 S251H7-E247 IonicContact CE1-OE1 2.6Å; H7-E247 PolarHBondContact CE1-OE1 3.01Å; T245-E247 VanDerWaalsContact CG2-OE2 3.25Å; T245-E247 WeakPolarHBondContact CG2-OE2 3.46Å; E247-E249 PolarHBondContact O-N 3.37Å; E247-F250 HydrophobicContact CB-CD2 4.14Å; E247-F250 HydrophobicContact CB-CE1 4.12Å; E247-F250 HydrophobicContact CB-CE2 3.54Å; E247-F250 HydrophobicContact CB-CZ 3.52Å; E247-F250 VanDerWaalsContact CD-CE2 3.49Å; E247-F250 HydrophobicContact CG-CE2 3.86Å; E247-F250 HydrophobicContact CG-CZ 3.75Å; E247-F250 CarbonylContact O-C 3.42Å; E247-F250 PolarHBondContact O-N 3.32Å; E247-S251 WeakPolarHBondContact O-CA 3.4Å; E247-S251 WeakPolarHBondContact O-CB 3.5Å; E247-S251 PolarHBondContact O-N 2.9Å
248P97.1Very high98.5Very high86 Ų8616 Ų1656%0.5589%0.085SC*.THydrogen-bonded Turntrans-64.5-27.9-169.923.9-32.5000113.5F250P248-F250 VanDerWaalsContact C-N 3.31Å; P248-F250 PolarHBondContact O-N 3.22Å
249E97.3Very high98.5Very high148 Ų14816.4 Ų16.469%0.6929%0.087SC*.THydrogen-bonded Turntrans-70.8-24.7-178.2-62.579.2-172.700113.5E247E247-E249 PolarHBondContact O-N 3.37Å
250F97.8Very high98.5Very high9 Ų918.2 Ų18.24%0.03910%0.099CC..SBendtrans-148.333.9-175.645.8-94000112.1H7 F8 F9 M118 T245 E247 P248 Y252H7-F250 AromaticContact ND1-CZ 3.71Å; H7-F250 VanDerWaalsContact O-CE1 3.27Å; H7-F250 WeakPolarHBondContact O-CE1 3.49Å; F8-F250 HydrophobicContact CB-CE1 4.46Å; F8-F250 HydrophobicContact CD2-CB 3.96Å; F8-F250 AromaticContact CD2-CD1 3.67Å; F8-F250 HydrophobicContact CD2-CD1 3.67Å; F8-F250 HydrophobicContact CD2-CE1 4.36Å; F8-F250 AromaticContact CD2-CG 3.8Å; F8-F250 HydrophobicContact CD2-CG 3.8Å; F8-F250 HydrophobicContact CE2-CB 3.77Å; F8-F250 HydrophobicContact CE2-CD1 4.37Å; F8-F250 HydrophobicContact CE2-CG 4.06Å; F9-F250 HydrophobicContact CB-CD2 4.39Å; F9-F250 HydrophobicContact CB-CE2 3.79Å; F9-F250 HydrophobicContact CB-CZ 4.46Å; F9-F250 VanDerWaalsContact O-CD2 3.27Å; F9-F250 WeakPolarHBondContact O-CD2 3.37Å; M118-F250 HydrophobicContact SD-CB 3.8Å; T245-F250 HydrophobicContact CG2-CD2 3.66Å; T245-F250 HydrophobicContact CG2-CE2 3.74Å; E247-F250 HydrophobicContact CB-CD2 4.14Å; E247-F250 HydrophobicContact CB-CE1 4.12Å; E247-F250 HydrophobicContact CB-CE2 3.54Å; E247-F250 HydrophobicContact CB-CZ 3.52Å; E247-F250 VanDerWaalsContact CD-CE2 3.49Å; E247-F250 HydrophobicContact CG-CE2 3.86Å; E247-F250 HydrophobicContact CG-CZ 3.75Å; E247-F250 CarbonylContact O-C 3.42Å; E247-F250 PolarHBondContact O-N 3.32Å; P248-F250 VanDerWaalsContact C-N 3.31Å; P248-F250 PolarHBondContact O-N 3.22Å; F250-Y252 PolarHBondContact O-N 3.38Å
251S98.6Very high98.3Very high5 Ų521.4 Ų21.44%0.03511%0.114CC..  trans-56.1129.7-175.562.20000111.9L184 T245 E247L184-S251 VanDerWaalsContact CD1-C 3.47Å; L184-S251 PolarHBondContact N-OG 3.44Å; T245-S251 VanDerWaalsContact O-CA 3.29Å; T245-S251 WeakPolarHBondContact O-CA 3.36Å; E247-S251 WeakPolarHBondContact O-CA 3.4Å; E247-S251 WeakPolarHBondContact O-CB 3.5Å; E247-S251 PolarHBondContact O-N 2.9Å
252Y98.8Very high98Very high4 Ų426 Ų262%0.01614%0.142CC..EExtended strand (participates in β ladder)trans-145.7137.9-177-171.5-95.1000111G11 K115 M118 M181 T245 F250G11-Y252 WeakPolarHBondContact O-CD1 3.41Å; G11-Y252 WeakPolarHBondContact O-CE1 3.4Å; K115-Y252 HydrophobicContact CD-CE2 4.37Å; M118-Y252 HydrophobicContact CE-CD2 3.98Å; M118-Y252 HydrophobicContact CE-CG 4.48Å; M181-Y252 WeakPolarHBondContact O-CA 3.4Å; M181-Y252 VanDerWaalsContact O-CD2 3.27Å; M181-Y252 WeakPolarHBondContact O-CD2 3.43Å; T245-Y252 PolarHBondContact N-O 3.36Å; T245-Y252 PolarHBondContact O-N 2.89Å; F250-Y252 PolarHBondContact O-N 3.38Å
253V98.9Very high97.8Very high0 Ų028 Ų280%016%0.156CC..EExtended strand (participates in β ladder)trans-133.9132.1169.5179.50000109.7M181 L184 M189 I242 H243 I244 F275M181-V253 HydrophobicContact CB-CB 4.24Å; M181-V253 WeakPolarHBondContact CB-O 3.44Å; M181-V253 HydrophobicContact CE-CB 3.74Å; M181-V253 HydrophobicContact CE-CG1 3.4Å; M181-V253 PolarHBondContact N-O 3.18Å; M181-V253 PolarHBondContact O-N 3.46Å; L184-V253 HydrophobicContact CD1-CB 4.48Å; L184-V253 HydrophobicContact CD1-CG2 3.95Å; L184-V253 HydrophobicContact CD2-CB 3.93Å; L184-V253 HydrophobicContact CD2-CG2 3.38Å; L184-V253 HydrophobicContact CG-CG2 4.32Å; M189-V253 HydrophobicContact CE-CG2 4.18Å; M189-V253 HydrophobicContact SD-CG2 4.3Å; I242-V253 HydrophobicContact CG2-CG1 3.96Å; H243-V253 VanDerWaalsContact O-CA 3.29Å; H243-V253 WeakPolarHBondContact O-CA 3.45Å; I244-V253 HydrophobicContact CB-CG2 4.22Å; I244-V253 HydrophobicContact CG1-CG1 4.03Å; I244-V253 HydrophobicContact CG1-CG2 3.95Å; I244-V253 HydrophobicContact CG2-CG2 3.9Å; V253-F275 HydrophobicContact CG1-CD1 4.13Å; V253-F275 HydrophobicContact CG1-CD2 4.21Å; V253-F275 HydrophobicContact CG1-CE1 4.06Å; V253-F275 HydrophobicContact CG1-CE2 4.14Å; V253-F275 HydrophobicContact CG1-CG 4.21Å; V253-F275 HydrophobicContact CG1-CZ 4.06Å; V253-F275 HydrophobicContact CG2-CD1 4.19Å
254S98.9Very high97.6Very high0 Ų027.7 Ų27.70%016%0.155CC..EExtended strand (participates in β ladder)trans-106.3143.2165.966.90000110.6E13 I242 H243E13-S254 PolarHBondContact OE1-OG 3.49Å; E13-S254 WeakPolarHBondContact OE2-CB 3.36Å; E13-S254 PolarHBondContact OE2-OG 3.3Å; I242-S254 VanDerWaalsContact CA-O 3.24Å; I242-S254 WeakPolarHBondContact CA-O 3.37Å; I242-S254 WeakPolarHBondContact CG2-O 3.2Å; H243-S254 PolarHBondContact N-O 3.09Å; H243-S254 PolarHBondContact O-N 3.36Å
255F98.9Very high97.4Very high0 Ų029.4 Ų29.40%016%0.164CC..EExtended strand (participates in β ladder)trans-129.3131.6165.6168.5-84.9000107.2L177 E178 V179 M181 L212 I213 W240 T241 I242 T257 L267 V271L177-F255 HydrophobicContact CD2-CE1 4.34Å; E178-F255 CarbonylContact C-O 3.28Å; E178-F255 VanDerWaalsContact CA-O 3.23Å; E178-F255 WeakPolarHBondContact CA-O 3.27Å; V179-F255 HydrophobicContact CB-CB 4.29Å; V179-F255 HydrophobicContact CB-CD1 4.37Å; V179-F255 HydrophobicContact CG2-CD1 4.08Å; V179-F255 PolarHBondContact N-O 3.49Å; V179-F255 PolarHBondContact O-N 3.29Å; M181-F255 HydrophobicContact CE-CB 4.38Å; L212-F255 HydrophobicContact CD1-CD2 4.43Å; L212-F255 HydrophobicContact CD1-CE2 4.34Å; I213-F255 HydrophobicContact CD1-CE2 4.42Å; I213-F255 HydrophobicContact CD1-CZ 3.99Å; W240-F255 AromaticContact CE3-CE2 3.89Å; W240-F255 HydrophobicContact CE3-CE2 3.89Å; T241-F255 WeakPolarHBondContact O-CA 3.48Å; I242-F255 HydrophobicContact CD1-CD2 3.82Å; I242-F255 HydrophobicContact CD1-CE2 4.47Å; I242-F255 HydrophobicContact CG1-CB 4.36Å; I242-F255 HydrophobicContact CG1-CD2 3.71Å; I242-F255 HydrophobicContact CG1-CG 4.49Å; F255-T257 HydrophobicContact CE1-CG2 3.6Å; F255-T257 HydrophobicContact CZ-CG2 3.81Å; F255-L267 HydrophobicContact CE1-CD2 4.18Å; F255-L267 HydrophobicContact CE1-CG 4.41Å; F255-L267 HydrophobicContact CZ-CD1 4.23Å; F255-L267 HydrophobicContact CZ-CD2 4.14Å; F255-L267 HydrophobicContact CZ-CG 4.32Å; F255-V271 HydrophobicContact CB-CG1 3.97Å; F255-V271 HydrophobicContact CD1-CG2 4.01Å; F255-V271 HydrophobicContact CD2-CG1 4.46Å; F255-V271 HydrophobicContact CD2-CG2 3.86Å; F255-V271 HydrophobicContact CE1-CG2 4.03Å; F255-V271 HydrophobicContact CE2-CG2 3.9Å; F255-V271 HydrophobicContact CG-CG1 4.08Å; F255-V271 HydrophobicContact CG-CG2 3.93Å; F255-V271 HydrophobicContact CZ-CG2 3.98Å
256E98.9Very high97.2Very high0 Ų033.5 Ų33.50%019%0.186CC..EExtended strand (participates in β ladder)trans-136.3142.8176.9178.7-175.5140.200110K80 T176 L177 E178 Y239 W240 T241K80-E256 WeakPolarHBondContact CD-OE2 3.38Å; K80-E256 WeakPolarHBondContact CE-OE2 3.4Å; K80-E256 IonicContact NZ-OE2 3.81Å; K80-E256 PolarHBondContact NZ-OE2 3.32Å; T176-E256 HydrophobicContact CG2-CG 4.1Å; L177-E256 CarbonylContact O-C 3.25Å; L177-E256 VanDerWaalsContact O-CA 3.3Å; L177-E256 WeakPolarHBondContact O-CA 3.3Å; E178-E256 HydrophobicContact CG-CB 4.27Å; E178-E256 HydrophobicContact CG-CG 4.04Å; Y239-E256 HydrophobicContact CE2-CG 4.13Å; Y239-E256 WeakPolarHBondContact CE2-OE1 3.34Å; Y239-E256 PolarHBondContact OH-OE1 3.13Å; W240-E256 CarbonylContact C-O 3.29Å; W240-E256 WeakPolarHBondContact CA-O 3.41Å; W240-E256 VanDerWaalsContact CB-O 3.28Å; W240-E256 WeakPolarHBondContact CB-O 3.45Å; T241-E256 HydrophobicContact CG2-CB 4Å; T241-E256 PolarHBondContact N-O 2.99Å; T241-E256 PolarHBondContact O-N 2.77Å
257T98.9Very high97.1Very high0 Ų033.9 Ų33.90%019%0.187CC..EExtended strand (participates in β ladder)trans-157.9150.3173.8-172.50000112.6T176 L177 I213 Y239 F255 L259 L267T176-T257 WeakPolarHBondContact CA-O 3.39Å; L177-T257 HydrophobicContact CB-CG2 4.31Å; L177-T257 PolarHBondContact N-O 3.12Å; L177-T257 PolarHBondContact O-N 2.96Å; I213-T257 HydrophobicContact CD1-CG2 4.36Å; Y239-T257 WeakPolarHBondContact O-CA 3.42Å; Y239-T257 WeakPolarHBondContact O-CB 3.24Å; Y239-T257 PolarHBondContact O-OG1 2.97Å; F255-T257 HydrophobicContact CE1-CG2 3.6Å; F255-T257 HydrophobicContact CZ-CG2 3.81Å; T257-L259 HydrophobicContact CG2-CB 4.04Å; T257-L259 VanDerWaalsContact OG1-CB 3.29Å; T257-L259 WeakPolarHBondContact OG1-CB 3.32Å; T257-L259 PolarHBondContact OG1-N 2.94Å; T257-L267 HydrophobicContact CG2-CD2 3.97Å
258N98.5Very high97.1Very high15 Ų1532.7 Ų32.78%0.0818%0.182CC..  trans-97.414.2164.374.3-22.6000113.9R76 Q175 G237 T238 Y239 S260R76-N258 PolarHBondContact NH2-ND2 2.82Å; R76-N258 VanDerWaalsContact NH2-ND2 3.12Å; Q175-N258 PolarHBondContact NE2-O 2.9Å; Q175-N258 WeakPolarHBondContact O-CA 3.29Å; Q175-N258 WeakPolarHBondContact O-CB 3.41Å; G237-N258 PolarHBondContact O-ND2 2.98Å; T238-N258 VanDerWaalsContact CA-OD1 3.26Å; T238-N258 WeakPolarHBondContact CA-OD1 3.3Å; Y239-N258 HydrophobicContact CD1-CB 4.01Å; Y239-N258 VanDerWaalsContact CD1-OD1 3.27Å; Y239-N258 WeakPolarHBondContact CD1-OD1 3.16Å; Y239-N258 HydrophobicContact CE1-CB 3.63Å; Y239-N258 PolarHBondContact N-OD1 3.03Å; Y239-N258 PolarHBondContact O-N 2.94Å; Y239-N258 PolarHBondContact O-OD1 3.25Å; N258-S260 PolarHBondContact O-N 3.33Å; N258-S260 VanDerWaalsContact O-N 3.1Å
259L98.3Very high97.1Very high17 Ų1732.9 Ų32.99%0.08917%0.172CC..  trans-54.6118.4-178.7176.368.5000110.6I213 T238 T257 Q261 Y264 L267I213-L259 HydrophobicContact CD1-CB 4.25Å; I213-L259 HydrophobicContact CD1-CD2 3.88Å; I213-L259 HydrophobicContact CG1-CD2 3.99Å; I213-L259 HydrophobicContact CG2-CD1 4.42Å; I213-L259 HydrophobicContact CG2-CD2 4.1Å; T238-L259 HydrophobicContact CG2-CB 3.73Å; T238-L259 HydrophobicContact CG2-CD1 3.85Å; T238-L259 HydrophobicContact CG2-CG 4.39Å; T257-L259 HydrophobicContact CG2-CB 4.04Å; T257-L259 VanDerWaalsContact OG1-CB 3.29Å; T257-L259 WeakPolarHBondContact OG1-CB 3.32Å; T257-L259 PolarHBondContact OG1-N 2.94Å; L259-Q261 HydrophobicContact CD2-CG 4.33Å; L259-Q261 VanDerWaalsContact CD2-NE2 3.26Å; L259-Q261 HydrophobicContact CG-CG 4.32Å; L259-Q261 PolarHBondContact O-N 3.2Å; L259-Y264 WeakPolarHBondContact O-CE1 3.44Å; L259-Y264 PolarHBondContact O-OH 3.3Å; L259-L267 HydrophobicContact CD2-CD2 4.19Å
260S97.1Very high97.1Very high38 Ų3831 Ų3127%0.26616%0.161SC..  trans-67.6122.8177.4-168.70000110.9N258N258-S260 PolarHBondContact O-N 3.33Å; N258-S260 VanDerWaalsContact O-N 3.1Å
261Q95.2Very high97.2Very high66 Ų6630.6 Ų30.631%0.30816%0.159SC..  trans-129.1157.5175.9-69.9-63.3-3500109.9L259 S263 Y264 C292L259-Q261 HydrophobicContact CD2-CG 4.33Å; L259-Q261 VanDerWaalsContact CD2-NE2 3.26Å; L259-Q261 HydrophobicContact CG-CG 4.32Å; L259-Q261 PolarHBondContact O-N 3.2Å; Q261-S263 WeakPolarHBondContact CB-O 3.28Å; Q261-Y264 HydrophobicContact CB-CD1 4.11Å; Q261-Y264 HydrophobicContact CB-CD2 4.5Å; Q261-Y264 HydrophobicContact CB-CE1 3.96Å; Q261-Y264 HydrophobicContact CB-CE2 4.33Å; Q261-Y264 HydrophobicContact CB-CG 4.41Å; Q261-Y264 HydrophobicContact CG-CD1 4.02Å; Q261-Y264 HydrophobicContact CG-CE1 3.82Å; Q261-C292 VanDerWaalsContact O-CB 3.27Å; Q261-C292 WeakPolarHBondContact O-CB 3.44Å; Q261-C292 PolarHBondContact O-N 2.85Å
262T93.9Very high97.2Very high97 Ų9730.4 Ų30.460%0.59516%0.158SC*.SBendtrans-77.6-39.2164.949.80000110.2C292 V295T262-C292 WeakPolarHBondContact O-CA 3.38Å; T262-C292 WeakPolarHBondContact O-CB 3.4Å; T262-V295 WeakPolarHBondContact O-CG2 3.36Å
263S94Very high97.1Very high42 Ų4234.5 Ų34.529%0.29418%0.18SC..  trans-139.7143171.3175.10000110.1Q261 D265Q261-S263 WeakPolarHBondContact CB-O 3.28Å; S263-D265 PolarHBondContact OG-N 3.26Å
264Y95.3Very high97.1Very high4 Ų435.8 Ų35.82%0.01619%0.188CC..SBendtrans-90.6-2.1178.4-75.7-77000114.1Q175 L177 L259 Q261 D266 L267 V268 L284 C292Q175-Y264 WeakPolarHBondContact CG-OH 3.37Å; L177-Y264 HydrophobicContact CB-CD1 4.15Å; L177-Y264 HydrophobicContact CB-CE1 3.97Å; L177-Y264 HydrophobicContact CD2-CD1 3.47Å; L177-Y264 VanDerWaalsContact CD2-CD1 3.47Å; L177-Y264 HydrophobicContact CD2-CE1 4.04Å; L177-Y264 HydrophobicContact CD2-CG 4.04Å; L177-Y264 HydrophobicContact CG-CD1 4.3Å; L259-Y264 WeakPolarHBondContact O-CE1 3.44Å; L259-Y264 PolarHBondContact O-OH 3.3Å; Q261-Y264 HydrophobicContact CB-CD1 4.11Å; Q261-Y264 HydrophobicContact CB-CD2 4.5Å; Q261-Y264 HydrophobicContact CB-CE1 3.96Å; Q261-Y264 HydrophobicContact CB-CE2 4.33Å; Q261-Y264 HydrophobicContact CB-CG 4.41Å; Q261-Y264 HydrophobicContact CG-CD1 4.02Å; Q261-Y264 HydrophobicContact CG-CE1 3.82Å; Y264-D266 VanDerWaalsContact C-N 3.29Å; Y264-D266 PolarHBondContact O-N 2.84Å; Y264-L267 HydrophobicContact CD1-CD2 4.04Å; Y264-L267 HydrophobicContact CE1-CD2 4.27Å; Y264-L267 PolarHBondContact O-N 2.78Å; Y264-L267 VanDerWaalsContact O-N 3.14Å; Y264-V268 WeakPolarHBondContact O-CG2 3.22Å; Y264-V268 PolarHBondContact O-N 3.38Å; Y264-L284 HydrophobicContact CD2-CD1 3.68Å; Y264-L284 HydrophobicContact CD2-CD2 3.69Å; Y264-L284 HydrophobicContact CD2-CG 4.36Å; Y264-L284 HydrophobicContact CE2-CD1 3.39Å; Y264-L284 HydrophobicContact CE2-CD2 4.13Å; Y264-L284 HydrophobicContact CE2-CG 4.42Å; Y264-C292 HydrophobicContact CE2-CB 4.28Å
265D93.2Very high97.1Very high44 Ų4435.8 Ų35.824%0.23519%0.188CC..Hα-helixtrans-55.8-43.5-175.2-69.33.1000112.5S263 R269 Q300S263-D265 PolarHBondContact OG-N 3.26Å; D265-R269 WeakPolarHBondContact O-CB 3.48Å; D265-R269 PolarHBondContact O-N 3.32Å; D265-Q300 WeakPolarHBondContact OD1-CB 3.33Å; D265-Q300 WeakPolarHBondContact OD1-CG 3.49Å; D265-Q300 PolarHBondContact OD1-NE2 3.43Å
266D94.8Very high97.1Very high99 Ų9939.7 Ų39.753%0.52921%0.205SC..Hα-helixtrans-70.9-37.4-179.7-72.9-10.5000112.5Y264 R269 K270Y264-D266 VanDerWaalsContact C-N 3.29Å; Y264-D266 PolarHBondContact O-N 2.84Å; D266-R269 IonicContact OD1-CZ 2.8Å; D266-R269 IonicContact OD1-NH1 3.72Å; D266-R269 PolarHBondContact OD1-NH1 3.31Å; D266-R269 IonicContact OD1-NH2 3.34Å; D266-K270 VanDerWaalsContact O-CG 3.31Å; D266-K270 WeakPolarHBondContact O-CG 3.48Å; D266-K270 PolarHBondContact O-N 3.26Å
267L97.4Very high97.1Very high10 Ų1039.7 Ų39.75%0.05221%0.205CC..Hα-helixtrans-70.1-46.7178.3-177.859.6000110.9L177 I213 F255 T257 L259 Y264 R269 K270 V271L177-L267 HydrophobicContact CD2-CD2 4.12Å; I213-L267 HydrophobicContact CG1-CD1 4.31Å; F255-L267 HydrophobicContact CE1-CD2 4.18Å; F255-L267 HydrophobicContact CE1-CG 4.41Å; F255-L267 HydrophobicContact CZ-CD1 4.23Å; F255-L267 HydrophobicContact CZ-CD2 4.14Å; F255-L267 HydrophobicContact CZ-CG 4.32Å; T257-L267 HydrophobicContact CG2-CD2 3.97Å; L259-L267 HydrophobicContact CD2-CD2 4.19Å; Y264-L267 HydrophobicContact CD1-CD2 4.04Å; Y264-L267 HydrophobicContact CE1-CD2 4.27Å; Y264-L267 PolarHBondContact O-N 2.78Å; Y264-L267 VanDerWaalsContact O-N 3.14Å; L267-R269 VanDerWaalsContact C-N 3.28Å; L267-R269 PolarHBondContact O-N 2.81Å; L267-K270 PolarHBondContact O-N 3.14Å; L267-V271 HydrophobicContact CD1-CG2 4.35Å; L267-V271 WeakPolarHBondContact O-CG2 3.28Å; L267-V271 PolarHBondContact O-N 3.15Å
268V97.6Very high97Very high3 Ų340.7 Ų40.72%0.01822%0.215CC..Hα-helixtrans-58-43.6175.5172.90000110.1L177 V179 Y264 V271 V272 F280 T282L177-V268 HydrophobicContact CD1-CG2 4.27Å; L177-V268 HydrophobicContact CD2-CG2 3.95Å; V179-V268 HydrophobicContact CG2-CG2 4.13Å; Y264-V268 WeakPolarHBondContact O-CG2 3.22Å; Y264-V268 PolarHBondContact O-N 3.38Å; V268-V271 PolarHBondContact O-N 3.22Å; V268-V272 HydrophobicContact CG1-CG2 4.28Å; V268-V272 WeakPolarHBondContact O-CB 3.32Å; V268-V272 VanDerWaalsContact O-CG2 3.26Å; V268-V272 WeakPolarHBondContact O-CG2 3.5Å; V268-V272 PolarHBondContact O-N 3.03Å; V268-F280 HydrophobicContact CG1-CE2 4.1Å; V268-T282 HydrophobicContact CG1-CG2 4.22Å; V268-T282 HydrophobicContact CG2-CG2 4.4Å
269R97.3Very high97Very high90 Ų9042.8 Ų42.834%0.3422%0.223SC..Hα-helixtrans-59.1-49.5175.6-170.8-175.6-49.8105.87.9112.1D265 D266 L267 V271 V272 D273 L302D265-R269 WeakPolarHBondContact O-CB 3.48Å; D265-R269 PolarHBondContact O-N 3.32Å; D266-R269 IonicContact OD1-CZ 2.8Å; D266-R269 IonicContact OD1-NH1 3.72Å; D266-R269 PolarHBondContact OD1-NH1 3.31Å; D266-R269 IonicContact OD1-NH2 3.34Å; L267-R269 VanDerWaalsContact C-N 3.28Å; L267-R269 PolarHBondContact O-N 2.81Å; R269-V271 PolarHBondContact O-N 2.54Å; R269-V272 PolarHBondContact O-N 2.87Å; R269-D273 WeakPolarHBondContact O-CB 3.41Å; R269-D273 PolarHBondContact O-N 3.09Å; R269-L302 HydrophobicContact CB-CD1 3.73Å; R269-L302 HydrophobicContact CG-CD1 3.84Å
270K97.9Very high97.1Very high109 Ų10942.1 Ų42.147%0.47422%0.22SC..Hα-helixtrans-58.4-45.1178.1-74.9174.2179.6-176.90112.5L212 D266 L267 D273 V274L212-K270 HydrophobicContact CD2-CB 3.95Å; D266-K270 VanDerWaalsContact O-CG 3.31Å; D266-K270 WeakPolarHBondContact O-CG 3.48Å; D266-K270 PolarHBondContact O-N 3.26Å; L267-K270 PolarHBondContact O-N 3.14Å; K270-D273 PolarHBondContact O-N 3.23Å; K270-V274 WeakPolarHBondContact O-CG2 3.47Å; K270-V274 PolarHBondContact O-N 2.82Å; K270-V274 VanDerWaalsContact O-N 3.09Å
271V98.6Very high97.1Very high0 Ų040.4 Ų40.40%021%0.208CC..Hα-helixtrans-61.6-48.8178172.60000110.3V179 M181 L212 F255 L267 V268 R269 D273 V274 F275V179-V271 HydrophobicContact CB-CG1 4.23Å; V179-V271 HydrophobicContact CG1-CG1 4.15Å; M181-V271 HydrophobicContact CE-CG1 3.74Å; M181-V271 HydrophobicContact SD-CG1 4.06Å; L212-V271 HydrophobicContact CD1-CG2 4.32Å; L212-V271 HydrophobicContact CD2-CG2 3.98Å; F255-V271 HydrophobicContact CB-CG1 3.97Å; F255-V271 HydrophobicContact CD1-CG2 4.01Å; F255-V271 HydrophobicContact CD2-CG1 4.46Å; F255-V271 HydrophobicContact CD2-CG2 3.86Å; F255-V271 HydrophobicContact CE1-CG2 4.03Å; F255-V271 HydrophobicContact CE2-CG2 3.9Å; F255-V271 HydrophobicContact CG-CG1 4.08Å; F255-V271 HydrophobicContact CG-CG2 3.93Å; F255-V271 HydrophobicContact CZ-CG2 3.98Å; L267-V271 HydrophobicContact CD1-CG2 4.35Å; L267-V271 WeakPolarHBondContact O-CG2 3.28Å; L267-V271 PolarHBondContact O-N 3.15Å; V268-V271 PolarHBondContact O-N 3.22Å; R269-V271 PolarHBondContact O-N 2.54Å; V271-D273 VanDerWaalsContact C-N 3.32Å; V271-D273 PolarHBondContact O-N 2.69Å; V271-V274 PolarHBondContact O-N 2.88Å; V271-F275 HydrophobicContact CG1-CD2 3.94Å; V271-F275 HydrophobicContact CG1-CE2 4.25Å; V271-F275 VanDerWaalsContact O-CD2 3.25Å; V271-F275 WeakPolarHBondContact O-CD2 3.33Å; V271-F275 PolarHBondContact O-N 2.85Å; V271-F275 VanDerWaalsContact O-N 3.09Å
272V98.3Very high97.3Very high1 Ų137.4 Ų37.41%0.00619%0.194CC..Hα-helixtrans-65.8-33.5179.5172.90000112.1V179 V268 R269 K276 P277 F280 L302 Y305V179-V272 HydrophobicContact CG1-CG2 4.44Å; V268-V272 HydrophobicContact CG1-CG2 4.28Å; V268-V272 WeakPolarHBondContact O-CB 3.32Å; V268-V272 VanDerWaalsContact O-CG2 3.26Å; V268-V272 WeakPolarHBondContact O-CG2 3.5Å; V268-V272 PolarHBondContact O-N 3.03Å; R269-V272 PolarHBondContact O-N 2.87Å; V272-K276 VanDerWaalsContact O-CA 3.31Å; V272-K276 WeakPolarHBondContact O-CA 3.37Å; V272-K276 PolarHBondContact O-N 3.29Å; V272-P277 HydrophobicContact CG1-CG 4.06Å; V272-P277 HydrophobicContact CG2-CG 4.47Å; V272-F280 HydrophobicContact CG1-CE1 4.21Å; V272-F280 HydrophobicContact CG2-CD1 4.13Å; V272-F280 HydrophobicContact CG2-CD2 4.31Å; V272-F280 HydrophobicContact CG2-CE1 3.83Å; V272-F280 HydrophobicContact CG2-CE2 4.02Å; V272-F280 HydrophobicContact CG2-CG 4.38Å; V272-F280 HydrophobicContact CG2-CZ 3.8Å; V272-L302 HydrophobicContact CB-CD2 4.17Å; V272-L302 HydrophobicContact CG1-CD2 3.93Å; V272-L302 HydrophobicContact CG2-CD2 4.08Å; V272-Y305 HydrophobicContact CG1-CD2 4.19Å; V272-Y305 HydrophobicContact CG1-CE1 4.36Å; V272-Y305 HydrophobicContact CG1-CE2 3.3Å; V272-Y305 VanDerWaalsContact CG1-CZ 3.4Å; V272-Y305 VanDerWaalsContact CG1-OH 3.24Å; V272-Y305 WeakPolarHBondContact CG1-OH 3.35Å
273D97.9Very high97.5Very high89 Ų8932.8 Ų32.848%0.47617%0.166SC..Hα-helixtrans-69.1-35.5177-76-22.4000112.6R269 K270 V271 K276R269-D273 WeakPolarHBondContact O-CB 3.41Å; R269-D273 PolarHBondContact O-N 3.09Å; K270-D273 PolarHBondContact O-N 3.23Å; V271-D273 VanDerWaalsContact C-N 3.32Å; V271-D273 PolarHBondContact O-N 2.69Å; D273-K276 WeakPolarHBondContact O-CG 3.35Å; D273-K276 PolarHBondContact O-NZ 2.83Å
274V98.6Very high97.7Very high27 Ų2731.3 Ų31.316%0.16416%0.155CC..Hα-helixtrans-66.4-49.3174.1165.70000110.7I188 S207 I209 L212 K270 V271I188-V274 WeakPolarHBondContact CG2-O 3.29Å; S207-V274 WeakPolarHBondContact O-CG1 3.39Å; I209-V274 HydrophobicContact CG1-CG1 4.36Å; L212-V274 HydrophobicContact CD2-CG2 3.94Å; K270-V274 WeakPolarHBondContact O-CG2 3.47Å; K270-V274 PolarHBondContact O-N 2.82Å; K270-V274 VanDerWaalsContact O-N 3.09Å; V271-V274 PolarHBondContact O-N 2.88Å
275F98.6Very high97.8Very high0 Ų032 Ų320%016%0.158CC..Hα-helixtrans-95.4-19.3-169.5-67.7-63.7000115.3M181 L184 M189 F192 I209 L212 I242 I244 V253 V271M181-F275 HydrophobicContact CE-CB 4.25Å; M181-F275 HydrophobicContact CE-CD2 3.57Å; M181-F275 HydrophobicContact CE-CE2 4.19Å; M181-F275 HydrophobicContact CE-CG 4.06Å; M181-F275 HydrophobicContact SD-CB 3.72Å; M181-F275 HydrophobicContact SD-CD2 3.99Å; M181-F275 HydrophobicContact SD-CG 4.19Å; L184-F275 HydrophobicContact CD2-CB 3.81Å; M189-F275 HydrophobicContact CE-CD1 4.35Å; F192-F275 HydrophobicContact CE2-CE1 4.31Å; F192-F275 AromaticContact CZ-CE1 3.99Å; F192-F275 HydrophobicContact CZ-CE1 3.99Å; I209-F275 HydrophobicContact CD1-CE1 4.11Å; I209-F275 HydrophobicContact CD1-CZ 3.85Å; I209-F275 HydrophobicContact CG1-CE1 4.33Å; I209-F275 HydrophobicContact CG1-CZ 3.8Å; L212-F275 HydrophobicContact CD1-CE2 4.4Å; I242-F275 HydrophobicContact CD1-CE2 4.21Å; I242-F275 HydrophobicContact CD1-CZ 4.08Å; I242-F275 HydrophobicContact CG2-CE2 4.49Å; I242-F275 HydrophobicContact CG2-CZ 3.9Å; I244-F275 HydrophobicContact CD1-CE1 3.69Å; I244-F275 HydrophobicContact CD1-CZ 4.25Å; V253-F275 HydrophobicContact CG1-CD1 4.13Å; V253-F275 HydrophobicContact CG1-CD2 4.21Å; V253-F275 HydrophobicContact CG1-CE1 4.06Å; V253-F275 HydrophobicContact CG1-CE2 4.14Å; V253-F275 HydrophobicContact CG1-CG 4.21Å; V253-F275 HydrophobicContact CG1-CZ 4.06Å; V253-F275 HydrophobicContact CG2-CD1 4.19Å; V271-F275 HydrophobicContact CG1-CD2 3.94Å; V271-F275 HydrophobicContact CG1-CE2 4.25Å; V271-F275 VanDerWaalsContact O-CD2 3.25Å; V271-F275 WeakPolarHBondContact O-CD2 3.33Å; V271-F275 PolarHBondContact O-N 2.85Å; V271-F275 VanDerWaalsContact O-N 3.09Å
276K98.4Very high97.9Very high82 Ų8229.9 Ų29.936%0.35715%0.146SC..  trans49.850.1177.6-53.9-166.8-173.5-49.70115.4D185 I188 V272 D273D185-K276 HydrophobicContact CB-CB 3.83Å; D185-K276 PolarHBondContact N-O 3.33Å; I188-K276 HydrophobicContact CD1-CD 4.25Å; I188-K276 HydrophobicContact CG1-CB 4.34Å; I188-K276 HydrophobicContact CG1-CD 4.05Å; I188-K276 HydrophobicContact CG1-CG 4.16Å; V272-K276 VanDerWaalsContact O-CA 3.31Å; V272-K276 WeakPolarHBondContact O-CA 3.37Å; V272-K276 PolarHBondContact O-N 3.29Å; D273-K276 WeakPolarHBondContact O-CG 3.35Å; D273-K276 PolarHBondContact O-NZ 2.83Å
277P98.6Very high97.9Very high0 Ų025.2 Ų25.20%012%0.121CC..  trans-62.2152.3-179.627.9-37.2000114.4M181 V272 K279 F280 Y305M181-P277 HydrophobicContact CB-CB 3.92Å; M181-P277 HydrophobicContact CB-CG 4.33Å; M181-P277 HydrophobicContact CG-CB 4.11Å; M181-P277 HydrophobicContact CG-CG 3.96Å; M181-P277 HydrophobicContact SD-CG 4.07Å; V272-P277 HydrophobicContact CG1-CG 4.06Å; V272-P277 HydrophobicContact CG2-CG 4.47Å; P277-K279 WeakPolarHBondContact CB-O 3.28Å; P277-F280 HydrophobicContact CB-CB 4.49Å; P277-F280 HydrophobicContact CG-CB 4.3Å; P277-F280 HydrophobicContact CG-CD1 3.85Å; P277-F280 HydrophobicContact CG-CG 4.37Å; P277-Y305 HydrophobicContact CG-CE1 4.41Å; P277-Y305 VanDerWaalsContact O-CE1 3.28Å; P277-Y305 WeakPolarHBondContact O-CE1 3.49Å; P277-Y305 PolarHBondContact O-OH 2.9Å
278G98.4Very high97.5Very high21 Ų2127 Ų2722%0.21613%0.129CC..SBendtrans-75.1-31.7166.700000111.9S182 D183 K327S182-G278 PolarHBondContact O-N 2.95Å; S182-G278 VanDerWaalsContact O-N 3.15Å; D183-G278 WeakPolarHBondContact O-CA 3.01Å; D183-G278 PolarHBondContact O-N 3.12Å; G278-K327 VanDerWaalsContact O-CB 3.31Å; G278-K327 WeakPolarHBondContact O-CB 3.42Å; G278-K327 PolarHBondContact O-N 2.94Å
279K98.4Very high97.3Very high59 Ų5929.7 Ų29.726%0.25715%0.148SC..EExtended strand (participates in β ladder)trans-153.6154.517462.5-179.1-173.6157.80111D155 S182 D183 P277 Y325 A326D155-K279 IonicContact OD1-NZ 2.69Å; D155-K279 PolarHBondContact OD1-NZ 3.04Å; D155-K279 WeakPolarHBondContact OD2-CD 3.45Å; D155-K279 IonicContact OD2-NZ 2.7Å; D155-K279 PolarHBondContact OD2-NZ 2.63Å; S182-K279 PolarHBondContact N-O 3.34Å; S182-K279 PolarHBondContact O-N 3.35Å; S182-K279 VanDerWaalsContact O-O 3.11Å; D183-K279 WeakPolarHBondContact OD2-CE 3.33Å; P277-K279 WeakPolarHBondContact CB-O 3.28Å; K279-Y325 WeakPolarHBondContact CA-O 3.38Å; K279-Y325 WeakPolarHBondContact CB-O 3.34Å; K279-A326 HydrophobicContact CB-CB 4.42Å
280F98.7Very high97Very high4 Ų425.7 Ų25.72%0.01813%0.134CC..EExtended strand (participates in β ladder)trans-156.8159.6175.868.7-84000111.3V179 L180 M181 V268 V272 P277 T282 L302 Y305 Y325V179-F280 HydrophobicContact CG1-CD2 3.9Å; L180-F280 CarbonylContact O-C 3.51Å; L180-F280 WeakPolarHBondContact O-CA 3.48Å; L180-F280 VanDerWaalsContact O-CB 3.3Å; L180-F280 WeakPolarHBondContact O-CB 3.34Å; M181-F280 HydrophobicContact CB-CB 4.29Å; M181-F280 HydrophobicContact CG-CB 3.71Å; V268-F280 HydrophobicContact CG1-CE2 4.1Å; V272-F280 HydrophobicContact CG1-CE1 4.21Å; V272-F280 HydrophobicContact CG2-CD1 4.13Å; V272-F280 HydrophobicContact CG2-CD2 4.31Å; V272-F280 HydrophobicContact CG2-CE1 3.83Å; V272-F280 HydrophobicContact CG2-CE2 4.02Å; V272-F280 HydrophobicContact CG2-CG 4.38Å; V272-F280 HydrophobicContact CG2-CZ 3.8Å; P277-F280 HydrophobicContact CB-CB 4.49Å; P277-F280 HydrophobicContact CG-CB 4.3Å; P277-F280 HydrophobicContact CG-CD1 3.85Å; P277-F280 HydrophobicContact CG-CG 4.37Å; F280-T282 HydrophobicContact CD2-CG2 3.94Å; F280-T282 HydrophobicContact CE2-CG2 3.75Å; F280-L302 HydrophobicContact CE1-CD2 3.81Å; F280-L302 HydrophobicContact CZ-CD2 3.42Å; F280-L302 VanDerWaalsContact CZ-CD2 3.42Å; F280-Y305 HydrophobicContact CD1-CD1 4.09Å; F280-Y305 AromaticContact CD1-CE1 3.97Å; F280-Y305 HydrophobicContact CD1-CE1 3.97Å; F280-Y305 AromaticContact CE1-CD1 3.56Å; F280-Y305 HydrophobicContact CE1-CD1 3.56Å; F280-Y305 HydrophobicContact CE1-CD2 4.35Å; F280-Y305 AromaticContact CE1-CE1 3.76Å; F280-Y305 HydrophobicContact CE1-CE1 3.76Å; F280-Y305 AromaticContact CE1-CG 3.89Å; F280-Y305 HydrophobicContact CE1-CG 3.89Å; F280-Y325 HydrophobicContact CD2-CD2 4.03Å; F280-Y325 VanDerWaalsContact CE1-CB 3.45Å; F280-Y325 HydrophobicContact CE1-CD2 4.23Å; F280-Y325 AromaticContact CE1-CG 3.93Å; F280-Y325 HydrophobicContact CE1-CG 3.93Å; F280-Y325 AromaticContact CE2-CD2 3.31Å; F280-Y325 HydrophobicContact CE2-CD2 3.31Å; F280-Y325 AromaticContact CE2-CE2 3.91Å; F280-Y325 HydrophobicContact CE2-CE2 3.91Å; F280-Y325 AromaticContact CE2-CG 3.87Å; F280-Y325 HydrophobicContact CE2-CG 3.87Å; F280-Y325 HydrophobicContact CZ-CD1 4.18Å; F280-Y325 AromaticContact CZ-CD2 3.4Å; F280-Y325 HydrophobicContact CZ-CD2 3.4Å; F280-Y325 HydrophobicContact CZ-CE2 4.11Å; F280-Y325 AromaticContact CZ-CG 3.44Å; F280-Y325 HydrophobicContact CZ-CG 3.44Å; F280-Y325 VanDerWaalsContact CZ-CG 3.44Å; F280-Y325 PolarHBondContact N-O 2.93Å; F280-Y325 PolarHBondContact O-N 3.44Å
281V98.7Very high96.8Very high1 Ų127.3 Ų27.31%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-118.8154169.1-57.70000109.9K115 D155 L180 F322 T323K115-V281 HydrophobicContact CD-CG2 4.1Å; D155-V281 HydrophobicContact CB-CG1 4.13Å; L180-V281 HydrophobicContact CB-CG2 3.78Å; L180-V281 HydrophobicContact CD1-CG2 4.1Å; L180-V281 HydrophobicContact CG-CG2 4.27Å; L180-V281 PolarHBondContact N-O 2.8Å; L180-V281 PolarHBondContact O-N 3.36Å; V281-F322 HydrophobicContact CB-CE2 3.74Å; V281-F322 HydrophobicContact CB-CZ 4.08Å; V281-F322 HydrophobicContact CG1-CE2 3.87Å; V281-F322 HydrophobicContact CG1-CZ 3.73Å; V281-F322 HydrophobicContact CG2-CE2 4.18Å; V281-T323 CarbonylContact C-O 3.55Å; V281-T323 VanDerWaalsContact CA-O 3.22Å; V281-T323 WeakPolarHBondContact CA-O 3.4Å
282T98.6Very high96.3Very high3 Ų327.3 Ų27.32%0.01814%0.141CC..EExtended strand (participates in β ladder)trans-123137.5171.363.70000110E178 V179 V268 F280 F322 T323E178-T282 WeakPolarHBondContact O-CA 3.24Å; V179-T282 HydrophobicContact CG1-CG2 4.41Å; V179-T282 HydrophobicContact CG2-CG2 4.23Å; V268-T282 HydrophobicContact CG1-CG2 4.22Å; V268-T282 HydrophobicContact CG2-CG2 4.4Å; F280-T282 HydrophobicContact CD2-CG2 3.94Å; F280-T282 HydrophobicContact CE2-CG2 3.75Å; T282-F322 WeakPolarHBondContact O-CA 3.37Å; T282-T323 PolarHBondContact N-O 3.23Å; T282-T323 PolarHBondContact O-N 3.44Å; T282-T323 WeakPolarHBondContact OG1-CB 3.45Å
283T98.4Very high95.7Very high1 Ų132.9 Ų32.91%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-117.4136.117057.50000107.5W157 L177 E178 F320 V321 F322W157-T283 HydrophobicContact CB-CG2 4.41Å; W157-T283 HydrophobicContact CD2-CG2 3.72Å; W157-T283 HydrophobicContact CE3-CG2 4.33Å; W157-T283 HydrophobicContact CG-CG2 3.75Å; W157-T283 HydrophobicContact CZ2-CG2 4.22Å; L177-T283 CarbonylContact C-O 3.6Å; L177-T283 WeakPolarHBondContact CA-O 3.27Å; E178-T283 WeakPolarHBondContact CB-OG1 3.39Å; E178-T283 WeakPolarHBondContact CG-OG1 3.38Å; E178-T283 PolarHBondContact N-O 3.17Å; E178-T283 PolarHBondContact O-N 3.48Å; E178-T283 VanDerWaalsContact O-N 3.11Å; E178-T283 PolarHBondContact OE2-OG1 3.07Å; T283-F320 HydrophobicContact CG2-CE2 4.31Å; T283-F320 HydrophobicContact CG2-CZ 4.09Å; T283-V321 WeakPolarHBondContact CA-O 3.35Å; T283-F322 HydrophobicContact CG2-CD2 4.24Å
284L98.2Very high95Very high11 Ų1133.4 Ų33.46%0.05817%0.173CC..EExtended strand (participates in β ladder)trans-139.6113.4-179.7176.762000109.8T176 L177 Y264 V286 F296 F320 V321T176-L284 WeakPolarHBondContact O-CA 3.26Å; L177-L284 HydrophobicContact CB-CD1 4.13Å; L177-L284 HydrophobicContact CD1-CB 4.39Å; L177-L284 HydrophobicContact CD1-CD1 4.47Å; Y264-L284 HydrophobicContact CD2-CD1 3.68Å; Y264-L284 HydrophobicContact CD2-CD2 3.69Å; Y264-L284 HydrophobicContact CD2-CG 4.36Å; Y264-L284 HydrophobicContact CE2-CD1 3.39Å; Y264-L284 HydrophobicContact CE2-CD2 4.13Å; Y264-L284 HydrophobicContact CE2-CG 4.42Å; L284-V286 HydrophobicContact CD1-CG2 3.89Å; L284-V286 HydrophobicContact CD2-CG2 3.91Å; L284-V286 HydrophobicContact CG-CG2 3.59Å; L284-F296 HydrophobicContact CD2-CB 4.29Å; L284-F320 CarbonylContact O-C 3.51Å; L284-F320 VanDerWaalsContact O-CA 3.31Å; L284-F320 WeakPolarHBondContact O-CA 3.22Å; L284-V321 PolarHBondContact N-O 3.02Å; L284-V321 PolarHBondContact O-N 3.35Å
285F97.1Very high94.3Very high18 Ų1834.6 Ų34.68%0.07918%0.18CC..EExtended strand (participates in β ladder)trans-93.4134.5168.4-78.2-94000109.9F111 W157 L159 Q175 T176 F315 Y318 F320F111-F285 HydrophobicContact CD1-CE1 4.05Å; F111-F285 HydrophobicContact CD1-CZ 4.29Å; F111-F285 HydrophobicContact CE1-CD1 4.34Å; F111-F285 AromaticContact CE1-CE1 3.83Å; F111-F285 HydrophobicContact CE1-CE1 3.83Å; W157-F285 AromaticContact CH2-CE2 3.56Å; W157-F285 HydrophobicContact CH2-CE2 3.56Å; W157-F285 AromaticContact CH2-CZ 3.74Å; W157-F285 HydrophobicContact CH2-CZ 3.74Å; W157-F285 HydrophobicContact CZ2-CE2 4.14Å; W157-F285 HydrophobicContact CZ3-CE2 4.42Å; W157-F285 HydrophobicContact CZ3-CZ 4.39Å; L159-F285 HydrophobicContact CD1-CZ 4.27Å; L159-F285 HydrophobicContact CD2-CE1 4.33Å; L159-F285 HydrophobicContact CD2-CZ 3.9Å; Q175-F285 CarbonylContact C-O 3.58Å; Q175-F285 WeakPolarHBondContact CA-O 3.36Å; Q175-F285 VanDerWaalsContact CB-O 3.29Å; Q175-F285 WeakPolarHBondContact CB-O 3.3Å; T176-F285 PolarHBondContact N-O 3.15Å; T176-F285 PolarHBondContact O-N 3.27Å; F285-F315 AromaticContact CE1-CD2 3.76Å; F285-F315 HydrophobicContact CE1-CD2 3.76Å; F285-F315 HydrophobicContact CE1-CE2 4.14Å; F285-F315 HydrophobicContact CZ-CD2 4.39Å; F285-F315 HydrophobicContact CZ-CE2 4.34Å; F285-Y318 HydrophobicContact CB-CD1 3.91Å; F285-Y318 HydrophobicContact CB-CE1 4.44Å; F285-Y318 HydrophobicContact CD1-CD1 4.1Å; F285-Y318 HydrophobicContact CD1-CG 4.18Å; F285-F320 HydrophobicContact CD1-CD2 4.05Å; F285-F320 AromaticContact CD2-CD2 3.64Å; F285-F320 HydrophobicContact CD2-CD2 3.64Å; F285-F320 AromaticContact CD2-CE2 3.89Å; F285-F320 HydrophobicContact CD2-CE2 3.89Å; F285-F320 AromaticContact CE1-CD2 3.82Å; F285-F320 HydrophobicContact CE1-CD2 3.82Å; F285-F320 AromaticContact CE2-CD2 3.38Å; F285-F320 HydrophobicContact CE2-CD2 3.38Å; F285-F320 AromaticContact CE2-CE2 3.39Å; F285-F320 HydrophobicContact CE2-CE2 3.39Å; F285-F320 AromaticContact CG-CD2 3.97Å; F285-F320 HydrophobicContact CG-CD2 3.97Å; F285-F320 AromaticContact CZ-CD2 3.47Å; F285-F320 HydrophobicContact CZ-CD2 3.47Å; F285-F320 VanDerWaalsContact CZ-CD2 3.47Å; F285-F320 AromaticContact CZ-CE2 3.77Å; F285-F320 HydrophobicContact CZ-CE2 3.77Å; F285-F320 HydrophobicContact CZ-CG 4.42Å
286V95.9Very high93.5Very high0 Ų036.2 Ų36.20%019%0.187CC..EExtended strand (participates in β ladder)trans-144.4111-178.1-1730000109.7L284 C292 R293 F296 N319L284-V286 HydrophobicContact CD1-CG2 3.89Å; L284-V286 HydrophobicContact CD2-CG2 3.91Å; L284-V286 HydrophobicContact CG-CG2 3.59Å; V286-C292 WeakPolarHBondContact CG1-SG 3.41Å; V286-C292 WeakPolarHBondContact CG2-SG 3.36Å; V286-R293 HydrophobicContact CG1-CB 4.16Å; V286-F296 HydrophobicContact CB-CB 4.49Å; V286-F296 HydrophobicContact CG2-CB 3.91Å; V286-N319 PolarHBondContact N-O 3.29Å; V286-N319 PolarHBondContact O-N 2.99Å
287N93.4Very high92.6Very high0 Ų035 Ų350%019%0.189CC..EExtended strand (participates in β ladder)trans-80.1177.4176.781.1-0.5000113.1H172 D174 S289 S290 D317 Y318H172-N287 PolarHBondContact O-ND2 3.11Å; D174-N287 PolarHBondContact N-ND2 3.4Å; D174-N287 PolarHBondContact N-OD1 3.32Å; D174-N287 PolarHBondContact O-N 3.23Å; D174-N287 VanDerWaalsContact O-N 3.09Å; D174-N287 PolarHBondContact O-OD1 3.43Å; N287-S289 PolarHBondContact O-N 2.93Å; N287-S289 PolarHBondContact OD1-N 3.42Å; N287-S290 PolarHBondContact O-N 3.34Å; N287-S290 PolarHBondContact OD1-N 2.97Å; N287-S290 VanDerWaalsContact OD1-N 3.17Å; N287-D317 WeakPolarHBondContact CA-O 3.47Å; N287-Y318 HydrophobicContact CB-CD1 3.86Å; N287-Y318 HydrophobicContact CB-CD2 4.5Å; N287-Y318 HydrophobicContact CB-CE1 3.77Å; N287-Y318 HydrophobicContact CB-CE2 4.34Å; N287-Y318 HydrophobicContact CB-CG 4.26Å
288Q90.2Very high91.7Very high48 Ų4837.6 Ų37.622%0.22421%0.207CC..THydrogen-bonded Turntrans-63.7-26.2-172.6-56-54.5-45.900114.1R293 D317Q288-R293 WeakPolarHBondContact O-CD 3.43Å; Q288-R293 PolarHBondContact O-NH1 3.45Å; Q288-D317 PolarHBondContact N-O 2.88Å; Q288-D317 PolarHBondContact NE2-O 2.98Å
289S92.4Very high90.5Very high59 Ų5938.8 Ų38.841%0.41322%0.215SC..THydrogen-bonded Turntrans-94.7-6.8-176.8-67.50000113.4E171 A173 N287E171-S289 PolarHBondContact O-OG 3.44Å; A173-S289 WeakPolarHBondContact CB-O 3.4Å; N287-S289 PolarHBondContact O-N 2.93Å; N287-S289 PolarHBondContact OD1-N 3.42Å
290S92.5Very high89.4Confident7 Ų737.1 Ų37.15%0.04921%0.208CC..  trans-72.3145.2-176.9-177.60000113.9Q175 N287 C292 R293Q175-S290 PolarHBondContact OE1-OG 3.11Å; N287-S290 PolarHBondContact O-N 3.34Å; N287-S290 PolarHBondContact OD1-N 2.97Å; N287-S290 VanDerWaalsContact OD1-N 3.17Å; S290-C292 VanDerWaalsContact C-N 3.26Å; S290-C292 PolarHBondContact O-N 3.18Å; S290-C292 PolarHBondContact OG-SG 2.98Å; S290-C292 VanDerWaalsContact OG-SG 3.37Å; S290-R293 VanDerWaalsContact O-CB 3.28Å; S290-R293 WeakPolarHBondContact O-CB 3.26Å; S290-R293 PolarHBondContact O-N 3.35Å
291K91.8Very high88.6Confident142 Ų14245.6 Ų45.662%0.61725%0.245SC*.THydrogen-bonded Turntrans-64.7-25.4-178.3-65.1-178.1-175.2170.80113.8
292C89.4Confident88.2Confident1 Ų146.4 Ų46.41%0.00725%0.249CC..THydrogen-bonded Turntrans-89.3-0.518058.50000113.6Q261 T262 Y264 V286 S290 S294 V295 F296Q261-C292 VanDerWaalsContact O-CB 3.27Å; Q261-C292 WeakPolarHBondContact O-CB 3.44Å; Q261-C292 PolarHBondContact O-N 2.85Å; T262-C292 WeakPolarHBondContact O-CA 3.38Å; T262-C292 WeakPolarHBondContact O-CB 3.4Å; Y264-C292 HydrophobicContact CE2-CB 4.28Å; V286-C292 WeakPolarHBondContact CG1-SG 3.41Å; V286-C292 WeakPolarHBondContact CG2-SG 3.36Å; S290-C292 VanDerWaalsContact C-N 3.26Å; S290-C292 PolarHBondContact O-N 3.18Å; S290-C292 PolarHBondContact OG-SG 2.98Å; S290-C292 VanDerWaalsContact OG-SG 3.37Å; C292-S294 PolarHBondContact O-N 3.22Å; C292-S294 VanDerWaalsContact O-N 3.12Å; C292-V295 CarbonylContact O-C 3.6Å; C292-V295 PolarHBondContact O-N 3.24Å; C292-F296 PolarHBondContact O-N 3.35Å
293R86.3Confident87.8Confident117 Ų11755.1 Ų55.144%0.44229%0.29SS..THydrogen-bonded Turntrans-55.7-31.3-177.6178.2179.2177.3-159.6-2.3114.6V286 Q288 S290 V295 F296V286-R293 HydrophobicContact CG1-CB 4.16Å; Q288-R293 WeakPolarHBondContact O-CD 3.43Å; Q288-R293 PolarHBondContact O-NH1 3.45Å; S290-R293 VanDerWaalsContact O-CB 3.28Å; S290-R293 WeakPolarHBondContact O-CB 3.26Å; S290-R293 PolarHBondContact O-N 3.35Å; R293-V295 VanDerWaalsContact C-N 3.3Å; R293-V295 PolarHBondContact O-N 3.04Å; R293-F296 WeakPolarHBondContact O-CD1 3.49Å; R293-F296 WeakPolarHBondContact O-CE1 3.33Å
294S82.3Confident87.6Confident101 Ų10157.1 Ų57.171%0.70631%0.311SS*.THydrogen-bonded Turntrans-76.6-19.9-18055.50000113.2C292C292-S294 PolarHBondContact O-N 3.22Å; C292-S294 VanDerWaalsContact O-N 3.12Å
295V84.7Confident87.5Confident51 Ų5158 Ų5831%0.30931%0.313SS..THydrogen-bonded Turntrans-129.8-0.4-170.6-63.10000114.2T262 C292 R293 S297 S298T262-V295 WeakPolarHBondContact O-CG2 3.36Å; C292-V295 CarbonylContact O-C 3.6Å; C292-V295 PolarHBondContact O-N 3.24Å; R293-V295 VanDerWaalsContact C-N 3.3Å; R293-V295 PolarHBondContact O-N 3.04Å; V295-S297 PolarHBondContact O-N 3.42Å; V295-S297 VanDerWaalsContact O-N 3.13Å; V295-S298 WeakPolarHBondContact O-CA 3.32Å; V295-S298 WeakPolarHBondContact O-CB 3.37Å; V295-S298 PolarHBondContact O-N 3.19Å; V295-S298 PolarHBondContact O-OG 3.5Å
296F81.2Confident87.5Confident34 Ų3463.6 Ų63.615%0.14934%0.338CS..THydrogen-bonded Turntrans-55.6-31.9175.582.9-75.9000112L284 V286 C292 R293 S298 R310 L312 N319 V321L284-F296 HydrophobicContact CD2-CB 4.29Å; V286-F296 HydrophobicContact CB-CB 4.49Å; V286-F296 HydrophobicContact CG2-CB 3.91Å; C292-F296 PolarHBondContact O-N 3.35Å; R293-F296 WeakPolarHBondContact O-CD1 3.49Å; R293-F296 WeakPolarHBondContact O-CE1 3.33Å; F296-S298 PolarHBondContact O-N 3.32Å; F296-R310 PolarHBondContact O-NH2 3.05Å; F296-L312 HydrophobicContact CE2-CD2 4.12Å; F296-N319 HydrophobicContact CD2-CB 3.96Å; F296-N319 HydrophobicContact CE1-CB 4.11Å; F296-N319 HydrophobicContact CE2-CB 3.45Å; F296-N319 VanDerWaalsContact CE2-CB 3.45Å; F296-N319 HydrophobicContact CZ-CB 3.52Å; F296-V321 HydrophobicContact CD2-CG2 3.56Å; F296-V321 HydrophobicContact CE2-CG2 3.93Å
297S79.4Confident87.5Confident56 Ų5668.4 Ų68.439%0.39236%0.356SS..THydrogen-bonded Turntrans-79.5-2.1177.9690000113.1V295 R310V295-S297 PolarHBondContact O-N 3.42Å; V295-S297 VanDerWaalsContact O-N 3.13Å; S297-R310 VanDerWaalsContact O-CZ 3.23Å; S297-R310 PolarHBondContact O-NH1 3.01Å; S297-R310 VanDerWaalsContact O-NH1 3.1Å; S297-R310 PolarHBondContact O-NH2 3.17Å
298S79.2Confident87.6Confident55 Ų5570.9 Ų70.939%0.38537%0.369SS..SBendtrans-65.9136.1172.9-55.20000110.5V295 F296 Q300 R310V295-S298 WeakPolarHBondContact O-CA 3.32Å; V295-S298 WeakPolarHBondContact O-CB 3.37Å; V295-S298 PolarHBondContact O-N 3.19Å; V295-S298 PolarHBondContact O-OG 3.5Å; F296-S298 PolarHBondContact O-N 3.32Å; S298-Q300 PolarHBondContact O-N 3.26Å; S298-Q300 VanDerWaalsContact O-N 3.11Å; S298-R310 PolarHBondContact O-NH2 2.95Å
299A73.9Confident87.9Confident46 Ų4670 Ų7038%0.3837%0.366SS..  trans-75.397.6178.100000109.7K301 R307A299-K301 PolarHBondContact O-N 2.87Å; A299-R307 VanDerWaalsContact CB-NH1 3.31Å
300Q75.7Confident88.1Confident24 Ų2470.2 Ų70.211%0.11236%0.357CS..  trans-60124.4178.3-35.3-172.6-68.800109.6D265 S298 Y325D265-Q300 WeakPolarHBondContact OD1-CB 3.33Å; D265-Q300 WeakPolarHBondContact OD1-CG 3.49Å; D265-Q300 PolarHBondContact OD1-NE2 3.43Å; S298-Q300 PolarHBondContact O-N 3.26Å; S298-Q300 VanDerWaalsContact O-N 3.11Å; Q300-Y325 WeakPolarHBondContact CB-OH 3.32Å; Q300-Y325 PolarHBondContact O-OH 2.92Å
301K81.4Confident88.3Confident182 Ų18273 Ų7379%0.79137%0.37SS*.  trans-101.5122.1172.1-69.4-178.2-177.6176.90107.4A299A299-K301 PolarHBondContact O-N 2.87Å
302L89.4Confident88.6Confident19 Ų1970.5 Ų70.510%0.09936%0.363CS..  trans-117.3118.9177.1-164.969.1000109.2R269 V272 F280 Y305 Y325R269-L302 HydrophobicContact CB-CD1 3.73Å; R269-L302 HydrophobicContact CG-CD1 3.84Å; V272-L302 HydrophobicContact CB-CD2 4.17Å; V272-L302 HydrophobicContact CG1-CD2 3.93Å; V272-L302 HydrophobicContact CG2-CD2 4.08Å; F280-L302 HydrophobicContact CE1-CD2 3.81Å; F280-L302 HydrophobicContact CZ-CD2 3.42Å; F280-L302 VanDerWaalsContact CZ-CD2 3.42Å; L302-Y305 HydrophobicContact CD2-CD2 3.62Å; L302-Y305 HydrophobicContact CD2-CE2 4.14Å; L302-Y305 HydrophobicContact CD2-CG 4.12Å; L302-Y305 HydrophobicContact CG-CD2 4Å; L302-Y305 PolarHBondContact O-N 3.02Å; L302-Y305 VanDerWaalsContact O-O 3.09Å; L302-Y325 HydrophobicContact CB-CE1 4.48Å
303E90.9Very high88.9Confident186 Ų18671.7 Ų71.787%0.86937%0.372SS*.THydrogen-bonded Turntrans-61.2141.8178.1-169.9173.1-179.300110.3Y305E303-Y305 WeakPolarHBondContact O-CD2 3.06Å; E303-Y305 PolarHBondContact O-N 3.23Å
304G94.6Very high89.3Confident43 Ų4372.4 Ų72.444%0.44338%0.381SS..THydrogen-bonded Turntrans77.7-5.7-176.100000115.3S328G304-S328 WeakPolarHBondContact O-CB 3.37Å; G304-S328 PolarHBondContact O-N 3.35Å; G304-S328 PolarHBondContact O-OG 3.14Å
305Y96.5Very high89.8Confident29 Ų2967.8 Ų67.811%0.11435%0.348CS..EExtended strand (participates in β ladder)trans-125139.6178-66.8-94.6000112.6V272 P277 F280 L302 E303 A326 K327V272-Y305 HydrophobicContact CG1-CD2 4.19Å; V272-Y305 HydrophobicContact CG1-CE1 4.36Å; V272-Y305 HydrophobicContact CG1-CE2 3.3Å; V272-Y305 VanDerWaalsContact CG1-CZ 3.4Å; V272-Y305 VanDerWaalsContact CG1-OH 3.24Å; V272-Y305 WeakPolarHBondContact CG1-OH 3.35Å; P277-Y305 HydrophobicContact CG-CE1 4.41Å; P277-Y305 VanDerWaalsContact O-CE1 3.28Å; P277-Y305 WeakPolarHBondContact O-CE1 3.49Å; P277-Y305 PolarHBondContact O-OH 2.9Å; F280-Y305 HydrophobicContact CD1-CD1 4.09Å; F280-Y305 AromaticContact CD1-CE1 3.97Å; F280-Y305 HydrophobicContact CD1-CE1 3.97Å; F280-Y305 AromaticContact CE1-CD1 3.56Å; F280-Y305 HydrophobicContact CE1-CD1 3.56Å; F280-Y305 HydrophobicContact CE1-CD2 4.35Å; F280-Y305 AromaticContact CE1-CE1 3.76Å; F280-Y305 HydrophobicContact CE1-CE1 3.76Å; F280-Y305 AromaticContact CE1-CG 3.89Å; F280-Y305 HydrophobicContact CE1-CG 3.89Å; L302-Y305 HydrophobicContact CD2-CD2 3.62Å; L302-Y305 HydrophobicContact CD2-CE2 4.14Å; L302-Y305 HydrophobicContact CD2-CG 4.12Å; L302-Y305 HydrophobicContact CG-CD2 4Å; L302-Y305 PolarHBondContact O-N 3.02Å; L302-Y305 VanDerWaalsContact O-O 3.09Å; E303-Y305 WeakPolarHBondContact O-CD2 3.06Å; E303-Y305 PolarHBondContact O-N 3.23Å; Y305-A326 WeakPolarHBondContact CA-O 3.47Å; Y305-K327 HydrophobicContact CD1-CB 4.21Å; Y305-K327 HydrophobicContact CE1-CB 3.99Å; Y305-K327 HydrophobicContact CE1-CG 4.35Å
306K96Very high90Very high136 Ų13667.6 Ų67.659%0.59135%0.345SS*.EExtended strand (participates in β ladder)trans-92.7124.2169.5-179-178.8176.7-177.60108.9L308 Y325 A326 S328K306-L308 HydrophobicContact CD-CD2 4.3Å; K306-L308 HydrophobicContact CG-CD2 4.37Å; K306-L308 PolarHBondContact O-N 2.71Å; K306-Y325 WeakPolarHBondContact O-CA 3.41Å; K306-A326 PolarHBondContact N-O 3.45Å; K306-A326 PolarHBondContact O-N 3.4Å; K306-S328 PolarHBondContact N-OG 3.23Å
307R96Very high90.3Very high101 Ų10166.4 Ų66.438%0.38134%0.34SS..EExtended strand (participates in β ladder)trans-68.7123.6166.9-170.6174.869.4-137.53.9109.8A299 T323 S324 Y325A299-R307 VanDerWaalsContact CB-NH1 3.31Å; R307-T323 VanDerWaalsContact CD-CG2 3.42Å; R307-T323 HydrophobicContact CG-CG2 3.61Å; R307-S324 CarbonylContact C-O 3.48Å; R307-S324 WeakPolarHBondContact CA-O 3.46Å; R307-Y325 HydrophobicContact CB-CD1 4.01Å; R307-Y325 HydrophobicContact CB-CE1 3.77Å; R307-Y325 HydrophobicContact CG-CD1 4.41Å; R307-Y325 HydrophobicContact CG-CE1 4.02Å
308L96.3Very high91Very high52 Ų5263.9 Ų63.927%0.27232%0.322SS..EExtended strand (participates in β ladder)trans-90.9-48.1179.6-60-174.7000111.5R151 K306 S324 A326R151-L308 PolarHBondContact NH2-O 3.19Å; K306-L308 HydrophobicContact CD-CD2 4.3Å; K306-L308 HydrophobicContact CG-CD2 4.37Å; K306-L308 PolarHBondContact O-N 2.71Å; L308-S324 PolarHBondContact N-O 2.67Å; L308-A326 HydrophobicContact CD1-CB 3.81Å; L308-A326 HydrophobicContact CD2-CB 4.29Å; L308-A326 HydrophobicContact CG-CB 4.16Å
309D96.5Very high91.7Very high30 Ų3062.3 Ų62.316%0.1631%0.31CS..EExtended strand (participates in β ladder)trans-143.2154.4-175.6-57.3-75000110.2R151 T323 S324R151-D309 WeakPolarHBondContact CD-OD2 3.39Å; R151-D309 WeakPolarHBondContact CG-OD2 3.38Å; R151-D309 IonicContact CZ-OD1 3.09Å; R151-D309 VanDerWaalsContact CZ-OD1 3.29Å; R151-D309 IonicContact CZ-OD2 3.81Å; R151-D309 IonicContact NE-OD1 3.26Å; R151-D309 PolarHBondContact NE-OD1 3Å; R151-D309 IonicContact NE-OD2 3.78Å; R151-D309 PolarHBondContact NE-OD2 2.88Å; R151-D309 IonicContact NH1-OD2 2.8Å; R151-D309 IonicContact NH2-OD1 2.8Å; R151-D309 PolarHBondContact NH2-OD1 3.46Å; R151-D309 IonicContact NH2-OD2 3.24Å; R151-D309 PolarHBondContact NH2-OD2 2.97Å; R151-D309 VanDerWaalsContact NH2-OD2 3.16Å; D309-T323 WeakPolarHBondContact O-CA 3.36Å; D309-T323 VanDerWaalsContact O-CG2 3.31Å; D309-T323 WeakPolarHBondContact O-CG2 3.43Å; D309-S324 PolarHBondContact O-N 3.4Å
310R96.3Very high92.8Very high63 Ų6360.1 Ų60.124%0.23829%0.291CS..EExtended strand (participates in β ladder)trans-150.7124.9172.2-172.8169.5-178.8-98.8-7.9109.2F296 S297 S298 F322 T323F296-R310 PolarHBondContact O-NH2 3.05Å; S297-R310 VanDerWaalsContact O-CZ 3.23Å; S297-R310 PolarHBondContact O-NH1 3.01Å; S297-R310 VanDerWaalsContact O-NH1 3.1Å; S297-R310 PolarHBondContact O-NH2 3.17Å; S298-R310 PolarHBondContact O-NH2 2.95Å; R310-F322 WeakPolarHBondContact CA-O 3.36Å; R310-T323 HydrophobicContact CB-CG2 4.32Å; R310-T323 HydrophobicContact CG-CG2 4.39Å
311Q97.2Very high93.8Very high65 Ų6559.3 Ų59.330%0.30429%0.288SS..EExtended strand (participates in β ladder)trans-130.7137.6-179.9-66.7179.26.400108.8M149 G150 V321 F322M149-Q311 HydrophobicContact SD-CB 4.33Å; G150-Q311 VanDerWaalsContact N-CD 3.29Å; G150-Q311 PolarHBondContact O-NE2 3.26Å; G150-Q311 VanDerWaalsContact O-NE2 3.13Å; Q311-V321 WeakPolarHBondContact O-CA 3.44Å; Q311-F322 PolarHBondContact N-O 2.94Å; Q311-F322 PolarHBondContact O-N 3.45Å
312L96.8Very high94.6Very high90 Ų9050.7 Ų50.747%0.47125%0.25SS..EExtended strand (participates in β ladder)trans-114.9141.5175.5-58.395000107.9F296 F320 V321F296-L312 HydrophobicContact CE2-CD2 4.12Å; L312-F320 WeakPolarHBondContact CA-O 3.25Å; L312-V321 HydrophobicContact CD2-CG2 3.78Å; L312-V321 HydrophobicContact CG-CG2 3.86Å
313A96Very high95Very high25 Ų2549.8 Ų49.821%0.20725%0.246CC..EExtended strand (participates in β ladder)trans-140.3165.317300000109.9M149 F315 F320M149-A313 HydrophobicContact CE-CB 3.4Å; A313-F315 HydrophobicContact CB-CE1 3.87Å; A313-F315 HydrophobicContact CB-CE2 4.11Å; A313-F315 HydrophobicContact CB-CZ 3.67Å; A313-F320 HydrophobicContact CB-CB 4.44Å; A313-F320 HydrophobicContact CB-CD1 4.27Å; A313-F320 PolarHBondContact N-O 3.29Å; A313-F320 PolarHBondContact O-N 2.9Å
314Q94.4Very high95.4Very high132 Ų13241.1 Ų41.162%0.61721%0.206SC*.EExtended strand (participates in β ladder)trans-126.1129.4171.3-173.7177.3-2.500107.4Y318Q314-Y318 WeakPolarHBondContact CA-O 3.4Å
315F92.6Very high95.5Very high5 Ų539.2 Ų39.22%0.02219%0.185CC..EExtended strand (participates in β ladder)trans-127.9106.1-179.7-52.5-56.2000107.6Y147 M149 L159 F285 A313 D317 Y318 F320Y147-F315 AromaticContact CD1-CE1 3.76Å; Y147-F315 HydrophobicContact CD1-CE1 3.76Å; Y147-F315 HydrophobicContact CD1-CZ 4.49Å; Y147-F315 HydrophobicContact CD2-CD1 4.19Å; Y147-F315 AromaticContact CD2-CE1 3.55Å; Y147-F315 HydrophobicContact CD2-CE1 3.55Å; Y147-F315 HydrophobicContact CD2-CZ 4.11Å; Y147-F315 HydrophobicContact CE1-CD1 4.34Å; Y147-F315 AromaticContact CE1-CE1 3.79Å; Y147-F315 HydrophobicContact CE1-CE1 3.79Å; Y147-F315 AromaticContact CE2-CD1 3.8Å; Y147-F315 HydrophobicContact CE2-CD1 3.8Å; Y147-F315 AromaticContact CE2-CE1 3.59Å; Y147-F315 HydrophobicContact CE2-CE1 3.59Å; Y147-F315 AromaticContact CG-CE1 3.63Å; Y147-F315 HydrophobicContact CG-CE1 3.63Å; Y147-F315 HydrophobicContact CG-CZ 4.09Å; Y147-F315 AromaticContact CZ-CD1 3.88Å; Y147-F315 AromaticContact CZ-CE1 3.71Å; M149-F315 HydrophobicContact CE-CE1 4.06Å; M149-F315 HydrophobicContact CE-CE2 4.31Å; M149-F315 HydrophobicContact CE-CZ 3.38Å; L159-F315 HydrophobicContact CD2-CD2 3.8Å; L159-F315 HydrophobicContact CD2-CE1 4.16Å; L159-F315 HydrophobicContact CD2-CE2 3.35Å; L159-F315 HydrophobicContact CD2-CG 4.33Å; L159-F315 HydrophobicContact CD2-CZ 3.52Å; F285-F315 AromaticContact CE1-CD2 3.76Å; F285-F315 HydrophobicContact CE1-CD2 3.76Å; F285-F315 HydrophobicContact CE1-CE2 4.14Å; F285-F315 HydrophobicContact CZ-CD2 4.39Å; F285-F315 HydrophobicContact CZ-CE2 4.34Å; A313-F315 HydrophobicContact CB-CE1 3.87Å; A313-F315 HydrophobicContact CB-CE2 4.11Å; A313-F315 HydrophobicContact CB-CZ 3.67Å; F315-D317 PolarHBondContact O-N 2.98Å; F315-Y318 PolarHBondContact N-O 3.48Å; F315-Y318 PolarHBondContact O-N 3.49Å; F315-F320 HydrophobicContact CD2-CB 3.67Å; F315-F320 HydrophobicContact CD2-CG 4.19Å; F315-F320 HydrophobicContact CE2-CB 3.44Å; F315-F320 VanDerWaalsContact CE2-CB 3.44Å; F315-F320 AromaticContact CE2-CD1 3.84Å; F315-F320 HydrophobicContact CE2-CD1 3.84Å; F315-F320 HydrophobicContact CE2-CD2 4.09Å; F315-F320 AromaticContact CE2-CG 3.51Å; F315-F320 HydrophobicContact CE2-CG 3.51Å; F315-F320 HydrophobicContact CZ-CB 4.49Å; F315-F320 HydrophobicContact CZ-CD1 4.36Å; F315-F320 HydrophobicContact CZ-CG 4.45Å
316N89.1Confident95.6Very high47 Ų4739.1 Ų39.125%0.25119%0.19SC..THydrogen-bonded Turntrans48.6-116.3-174.4-51.4-38.7000111.2L162 L164L162-N316 PolarHBondContact O-ND2 3.37Å; L164-N316 HydrophobicContact CB-CB 4.47Å; L164-N316 WeakPolarHBondContact CG-ND2 3.48Å; L164-N316 PolarHBondContact N-OD1 3.33Å
317D87.6Confident95.6Very high8 Ų837.9 Ų37.94%0.04319%0.185CC..THydrogen-bonded Turntrans-83.9-8.5179.465.5-44.9000114.6N170 N287 Q288 F315N170-D317 VanDerWaalsContact CB-OD2 3.32Å; N170-D317 WeakPolarHBondContact CB-OD2 3.39Å; N287-D317 WeakPolarHBondContact CA-O 3.47Å; Q288-D317 PolarHBondContact N-O 2.88Å; Q288-D317 PolarHBondContact NE2-O 2.98Å; F315-D317 PolarHBondContact O-N 2.98Å
318Y93.6Very high95.4Very high3 Ų335.8 Ų35.81%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-98.9131-179.8-70.9-97.5000112.9N109 F111 D174 F285 N287 Q314 F315N109-Y318 VanDerWaalsContact ND2-CE2 3.3Å; N109-Y318 WeakPolarHBondContact ND2-CE2 3.43Å; F111-Y318 HydrophobicContact CZ-CD2 4.03Å; F111-Y318 HydrophobicContact CZ-CE2 4.07Å; D174-Y318 HydrophobicContact CB-CE1 4.4Å; D174-Y318 WeakPolarHBondContact OD2-CE1 3.33Å; D174-Y318 PolarHBondContact OD2-OH 3.29Å; F285-Y318 HydrophobicContact CB-CD1 3.91Å; F285-Y318 HydrophobicContact CB-CE1 4.44Å; F285-Y318 HydrophobicContact CD1-CD1 4.1Å; F285-Y318 HydrophobicContact CD1-CG 4.18Å; N287-Y318 HydrophobicContact CB-CD1 3.86Å; N287-Y318 HydrophobicContact CB-CD2 4.5Å; N287-Y318 HydrophobicContact CB-CE1 3.77Å; N287-Y318 HydrophobicContact CB-CE2 4.34Å; N287-Y318 HydrophobicContact CB-CG 4.26Å; Q314-Y318 WeakPolarHBondContact CA-O 3.4Å; F315-Y318 PolarHBondContact N-O 3.48Å; F315-Y318 PolarHBondContact O-N 3.49Å
319N95.1Very high94.7Very high23 Ų2344.8 Ų44.812%0.12322%0.216CC..EExtended strand (participates in β ladder)trans-83.5141157.5-61.8-77.5000109.2V286 F296V286-N319 PolarHBondContact N-O 3.29Å; V286-N319 PolarHBondContact O-N 2.99Å; F296-N319 HydrophobicContact CD2-CB 3.96Å; F296-N319 HydrophobicContact CE1-CB 4.11Å; F296-N319 HydrophobicContact CE2-CB 3.45Å; F296-N319 VanDerWaalsContact CE2-CB 3.45Å; F296-N319 HydrophobicContact CZ-CB 3.52Å
320F96.8Very high93.1Very high0 Ų051.7 Ų51.70%025%0.247CC..EExtended strand (participates in β ladder)trans-128.2139.8-178.5175.5-93.2000111.6M149 W157 T283 L284 F285 L312 A313 F315 F322M149-F320 HydrophobicContact CB-CE1 4.22Å; M149-F320 HydrophobicContact CE-CD1 4.18Å; M149-F320 HydrophobicContact CE-CE1 4.26Å; M149-F320 HydrophobicContact CG-CD1 4.42Å; M149-F320 HydrophobicContact CG-CE1 3.6Å; M149-F320 HydrophobicContact CG-CZ 4.25Å; M149-F320 HydrophobicContact SD-CD1 4.47Å; M149-F320 HydrophobicContact SD-CE1 4.12Å; W157-F320 HydrophobicContact CE3-CE2 4.31Å; W157-F320 AromaticContact CE3-CZ 3.76Å; W157-F320 HydrophobicContact CE3-CZ 3.76Å; W157-F320 AromaticContact CH2-CE2 3.87Å; W157-F320 HydrophobicContact CH2-CE2 3.87Å; W157-F320 HydrophobicContact CH2-CZ 4.16Å; W157-F320 HydrophobicContact CZ3-CE1 4.37Å; W157-F320 AromaticContact CZ3-CE2 3.66Å; W157-F320 HydrophobicContact CZ3-CE2 3.66Å; W157-F320 AromaticContact CZ3-CZ 3.49Å; W157-F320 HydrophobicContact CZ3-CZ 3.49Å; W157-F320 VanDerWaalsContact CZ3-CZ 3.49Å; T283-F320 HydrophobicContact CG2-CE2 4.31Å; T283-F320 HydrophobicContact CG2-CZ 4.09Å; L284-F320 CarbonylContact O-C 3.51Å; L284-F320 VanDerWaalsContact O-CA 3.31Å; L284-F320 WeakPolarHBondContact O-CA 3.22Å; F285-F320 HydrophobicContact CD1-CD2 4.05Å; F285-F320 AromaticContact CD2-CD2 3.64Å; F285-F320 HydrophobicContact CD2-CD2 3.64Å; F285-F320 AromaticContact CD2-CE2 3.89Å; F285-F320 HydrophobicContact CD2-CE2 3.89Å; F285-F320 AromaticContact CE1-CD2 3.82Å; F285-F320 HydrophobicContact CE1-CD2 3.82Å; F285-F320 AromaticContact CE2-CD2 3.38Å; F285-F320 HydrophobicContact CE2-CD2 3.38Å; F285-F320 AromaticContact CE2-CE2 3.39Å; F285-F320 HydrophobicContact CE2-CE2 3.39Å; F285-F320 AromaticContact CG-CD2 3.97Å; F285-F320 HydrophobicContact CG-CD2 3.97Å; F285-F320 AromaticContact CZ-CD2 3.47Å; F285-F320 HydrophobicContact CZ-CD2 3.47Å; F285-F320 VanDerWaalsContact CZ-CD2 3.47Å; F285-F320 AromaticContact CZ-CE2 3.77Å; F285-F320 HydrophobicContact CZ-CE2 3.77Å; F285-F320 HydrophobicContact CZ-CG 4.42Å; L312-F320 WeakPolarHBondContact CA-O 3.25Å; A313-F320 HydrophobicContact CB-CB 4.44Å; A313-F320 HydrophobicContact CB-CD1 4.27Å; A313-F320 PolarHBondContact N-O 3.29Å; A313-F320 PolarHBondContact O-N 2.9Å; F315-F320 HydrophobicContact CD2-CB 3.67Å; F315-F320 HydrophobicContact CD2-CG 4.19Å; F315-F320 HydrophobicContact CE2-CB 3.44Å; F315-F320 VanDerWaalsContact CE2-CB 3.44Å; F315-F320 AromaticContact CE2-CD1 3.84Å; F315-F320 HydrophobicContact CE2-CD1 3.84Å; F315-F320 HydrophobicContact CE2-CD2 4.09Å; F315-F320 AromaticContact CE2-CG 3.51Å; F315-F320 HydrophobicContact CE2-CG 3.51Å; F315-F320 HydrophobicContact CZ-CB 4.49Å; F315-F320 HydrophobicContact CZ-CD1 4.36Å; F315-F320 HydrophobicContact CZ-CG 4.45Å; F320-F322 HydrophobicContact CE1-CB 3.64Å; F320-F322 HydrophobicContact CZ-CB 3.97Å
321V97.4Very high90.7Very high7 Ų757 Ų574%0.04228%0.275CS..EExtended strand (participates in β ladder)trans-129.7125.9171.3165.40000110.3T283 L284 F296 Q311 L312 T323T283-V321 WeakPolarHBondContact CA-O 3.35Å; L284-V321 PolarHBondContact N-O 3.02Å; L284-V321 PolarHBondContact O-N 3.35Å; F296-V321 HydrophobicContact CD2-CG2 3.56Å; F296-V321 HydrophobicContact CE2-CG2 3.93Å; Q311-V321 WeakPolarHBondContact O-CA 3.44Å; L312-V321 HydrophobicContact CD2-CG2 3.78Å; L312-V321 HydrophobicContact CG-CG2 3.86Å; V321-T323 WeakPolarHBondContact CG1-OG1 3.39Å
322F98.1Very high88.1Confident0 Ų060.3 Ų60.30%030%0.295CS..EExtended strand (participates in β ladder)trans-104.4135.2163.5170.5-89.8000109.6M149 W157 V281 T282 T283 R310 Q311 F320M149-F322 HydrophobicContact CB-CB 3.76Å; M149-F322 HydrophobicContact CB-CD1 4.36Å; M149-F322 HydrophobicContact CB-CD2 4.14Å; M149-F322 HydrophobicContact CB-CG 3.84Å; M149-F322 HydrophobicContact CG-CB 4.46Å; W157-F322 HydrophobicContact CB-CD2 3.95Å; W157-F322 HydrophobicContact CB-CE2 3.85Å; V281-F322 HydrophobicContact CB-CE2 3.74Å; V281-F322 HydrophobicContact CB-CZ 4.08Å; V281-F322 HydrophobicContact CG1-CE2 3.87Å; V281-F322 HydrophobicContact CG1-CZ 3.73Å; V281-F322 HydrophobicContact CG2-CE2 4.18Å; T282-F322 WeakPolarHBondContact O-CA 3.37Å; T283-F322 HydrophobicContact CG2-CD2 4.24Å; R310-F322 WeakPolarHBondContact CA-O 3.36Å; Q311-F322 PolarHBondContact N-O 2.94Å; Q311-F322 PolarHBondContact O-N 3.45Å; F320-F322 HydrophobicContact CE1-CB 3.64Å; F320-F322 HydrophobicContact CZ-CB 3.97Å
323T97.9Very high85.4Confident1 Ų164 Ų641%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-137.4138.5172.6-47.20000111V281 T282 R307 D309 R310 V321 Y325V281-T323 CarbonylContact C-O 3.55Å; V281-T323 VanDerWaalsContact CA-O 3.22Å; V281-T323 WeakPolarHBondContact CA-O 3.4Å; T282-T323 PolarHBondContact N-O 3.23Å; T282-T323 PolarHBondContact O-N 3.44Å; T282-T323 WeakPolarHBondContact OG1-CB 3.45Å; R307-T323 VanDerWaalsContact CD-CG2 3.42Å; R307-T323 HydrophobicContact CG-CG2 3.61Å; D309-T323 WeakPolarHBondContact O-CA 3.36Å; D309-T323 VanDerWaalsContact O-CG2 3.31Å; D309-T323 WeakPolarHBondContact O-CG2 3.43Å; R310-T323 HydrophobicContact CB-CG2 4.32Å; R310-T323 HydrophobicContact CG-CG2 4.39Å; V321-T323 WeakPolarHBondContact CG1-OG1 3.39Å; T323-Y325 HydrophobicContact CG2-CD2 4.09Å; T323-Y325 HydrophobicContact CG2-CE1 4.34Å; T323-Y325 HydrophobicContact CG2-CE2 3.28Å; T323-Y325 VanDerWaalsContact CG2-CZ 3.42Å; T323-Y325 WeakPolarHBondContact CG2-OH 3.46Å
324S98.1Very high82.8Confident3 Ų371.8 Ų71.82%0.02134%0.342CS..EExtended strand (participates in β ladder)trans-116139.4177.2176.30000111.1R307 L308 D309R307-S324 CarbonylContact C-O 3.48Å; R307-S324 WeakPolarHBondContact CA-O 3.46Å; L308-S324 PolarHBondContact N-O 2.67Å; D309-S324 PolarHBondContact O-N 3.4Å
325Y97.8Very high80.2Confident3 Ų373.8 Ų73.81%0.01237%0.37CS..EExtended strand (participates in β ladder)trans-133.9146.9-177-64.8-90.2000111.5K279 F280 Q300 L302 K306 R307 T323K279-Y325 WeakPolarHBondContact CA-O 3.38Å; K279-Y325 WeakPolarHBondContact CB-O 3.34Å; F280-Y325 HydrophobicContact CD2-CD2 4.03Å; F280-Y325 VanDerWaalsContact CE1-CB 3.45Å; F280-Y325 HydrophobicContact CE1-CD2 4.23Å; F280-Y325 AromaticContact CE1-CG 3.93Å; F280-Y325 HydrophobicContact CE1-CG 3.93Å; F280-Y325 AromaticContact CE2-CD2 3.31Å; F280-Y325 HydrophobicContact CE2-CD2 3.31Å; F280-Y325 AromaticContact CE2-CE2 3.91Å; F280-Y325 HydrophobicContact CE2-CE2 3.91Å; F280-Y325 AromaticContact CE2-CG 3.87Å; F280-Y325 HydrophobicContact CE2-CG 3.87Å; F280-Y325 HydrophobicContact CZ-CD1 4.18Å; F280-Y325 AromaticContact CZ-CD2 3.4Å; F280-Y325 HydrophobicContact CZ-CD2 3.4Å; F280-Y325 HydrophobicContact CZ-CE2 4.11Å; F280-Y325 AromaticContact CZ-CG 3.44Å; F280-Y325 HydrophobicContact CZ-CG 3.44Å; F280-Y325 VanDerWaalsContact CZ-CG 3.44Å; F280-Y325 PolarHBondContact N-O 2.93Å; F280-Y325 PolarHBondContact O-N 3.44Å; Q300-Y325 WeakPolarHBondContact CB-OH 3.32Å; Q300-Y325 PolarHBondContact O-OH 2.92Å; L302-Y325 HydrophobicContact CB-CE1 4.48Å; K306-Y325 WeakPolarHBondContact O-CA 3.41Å; R307-Y325 HydrophobicContact CB-CD1 4.01Å; R307-Y325 HydrophobicContact CB-CE1 3.77Å; R307-Y325 HydrophobicContact CG-CD1 4.41Å; R307-Y325 HydrophobicContact CG-CE1 4.02Å; T323-Y325 HydrophobicContact CG2-CD2 4.09Å; T323-Y325 HydrophobicContact CG2-CE1 4.34Å; T323-Y325 HydrophobicContact CG2-CE2 3.28Å; T323-Y325 VanDerWaalsContact CG2-CZ 3.42Å; T323-Y325 WeakPolarHBondContact CG2-OH 3.46Å
326A97.8Very high79.5Confident27 Ų2777.3 Ų77.322%0.22339%0.388CS..EExtended strand (participates in β ladder)trans-133.7145.5167.400000110.3K279 Y305 K306 L308 S328K279-A326 HydrophobicContact CB-CB 4.42Å; Y305-A326 WeakPolarHBondContact CA-O 3.47Å; K306-A326 PolarHBondContact N-O 3.45Å; K306-A326 PolarHBondContact O-N 3.4Å; L308-A326 HydrophobicContact CD1-CB 3.81Å; L308-A326 HydrophobicContact CD2-CB 4.29Å; L308-A326 HydrophobicContact CG-CB 4.16Å; A326-S328 PolarHBondContact O-N 3.1Å
327K96.6Very high79Confident110 Ų11078.8 Ų78.848%0.47840%0.395SS..EExtended strand (participates in β ladder)trans-57.6129.9179.4-163.8170.4-172.9171.90109.8G278 Y305 R329G278-K327 VanDerWaalsContact O-CB 3.31Å; G278-K327 WeakPolarHBondContact O-CB 3.42Å; G278-K327 PolarHBondContact O-N 2.94Å; Y305-K327 HydrophobicContact CD1-CB 4.21Å; Y305-K327 HydrophobicContact CE1-CB 3.99Å; Y305-K327 HydrophobicContact CE1-CG 4.35Å; K327-R329 PolarHBondContact O-N 2.64Å
328S92.3Very high78.5Confident57 Ų5782.8 Ų82.840%0.39942%0.415SS..PPolyproline II helixtrans-63.9129.6177.9-68.70000109.1G304 K306 A326 Q330G304-S328 WeakPolarHBondContact O-CB 3.37Å; G304-S328 PolarHBondContact O-N 3.35Å; G304-S328 PolarHBondContact O-OG 3.14Å; K306-S328 PolarHBondContact N-OG 3.23Å; A326-S328 PolarHBondContact O-N 3.1Å; S328-Q330 PolarHBondContact O-N 2.79Å
329R81.8Confident77.7Confident241 Ų24187.5 Ų87.591%0.90944%0.438SS*.PPolyproline II helixtrans-63.4123.8171.1-66.5-175.7-179.5-176.6-0.8107.9K327 Q331K327-R329 PolarHBondContact O-N 2.64Å; R329-Q331 PolarHBondContact O-N 2.81Å; R329-Q331 VanDerWaalsContact O-N 3.15Å
330Q61.1Low76.6Confident175 Ų17591.5 Ų91.582%0.81846%0.458SS*.PPolyproline II helixtrans-60.3119.2165.7-73.2-178.4-6.600106.9S328 N332S328-Q330 PolarHBondContact O-N 2.79Å; Q330-N332 VanDerWaalsContact C-N 3.32Å; Q330-N332 PolarHBondContact O-N 2.83Å
331Q47.4Very low75.2Confident176 Ų17697.6 Ų97.682%0.82249%0.489SS*.  trans-65.6102.8163.1-75.9-179.4-4.400105.4R329 Q333R329-Q331 PolarHBondContact O-N 2.81Å; R329-Q331 VanDerWaalsContact O-N 3.15Å; Q331-Q333 PolarHBondContact O-N 3.29Å
332N42.7Very low73.6Confident133 Ų133104.1 Ų104.171%0.71152%0.521SS*.  trans-57.999.7161.7-81-10.6000106.2Q330 Q334Q330-N332 VanDerWaalsContact C-N 3.32Å; Q330-N332 PolarHBondContact O-N 2.83Å; N332-Q334 PolarHBondContact O-N 3.03Å
333Q39.9Very low71.8Confident167 Ų167112.1 Ų112.178%0.7856%0.561SS**  trans-65.985.2158.2-75.7-179.2-0.800105.8Q331 S335Q331-Q333 PolarHBondContact O-N 3.29Å; Q333-S335 VanDerWaalsContact C-N 3.28Å; Q333-S335 PolarHBondContact O-N 3.45Å
334Q40Very low69.6Low189 Ų189121.3 Ų121.388%0.88361%0.607SS**  trans-62.3102.1154.9-80.1179.7-19.300105.7N332N332-Q334 PolarHBondContact O-N 3.03Å
335S39.6Very low67Low175 Ų175132.1 Ų132.1100%1.22466%0.66SS**  trans-93.50165-42.20000108.1Q333Q333-S335 VanDerWaalsContact C-N 3.28Å; Q333-S335 PolarHBondContact O-N 3.45Å

Retrieved 335 of 335 residues in 165.7 ms (Link to these results)

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