A0A060YBC4_ONCMY Loading...

Mitotic spindle assembly checkpoint protein MAD2A

AlphaFold DB , UniProt , Accession A0A060YBC4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110531872, Length 202 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
1M32.6Very low66.8Low247 Ų247104.4 Ų104.4100%1.21756%0.564SS**  0980-64-176.2-158.800107.2S3M1-S3 PolarHBondContact O-N 2.94Å
2T37.9Very low69.1Low136 Ų13696.8 Ų96.883%0.83453%0.528SS*.  trans-70.4116.5179.427.10000108.3T4T2-T4 VanDerWaalsContact C-N 3.29Å; T2-T4 PolarHBondContact O-N 3.17Å; T2-T4 PolarHBondContact O-OG1 3.38Å
3S38.8Very low71.3Confident118 Ų11889.3 Ų89.383%0.82549%0.487SS*.  trans-58.193.6173.8-177.50000108.6M1 L5M1-S3 PolarHBondContact O-N 2.94Å; S3-L5 PolarHBondContact O-N 2.56Å
4T51.2Low73.1Confident114 Ų11483 Ų8370%0.69945%0.453SS*.  trans-70.5111.3169.2-18.70000104.3T2 K6T2-T4 VanDerWaalsContact C-N 3.29Å; T2-T4 PolarHBondContact O-N 3.17Å; T2-T4 PolarHBondContact O-OG1 3.38Å; T4-K6 WeakPolarHBondContact O-CG 3.47Å; T4-K6 PolarHBondContact O-N 2.74Å
5L52.2Low74.7Confident123 Ų12383.5 Ų83.564%0.64445%0.451SS*.  trans-49.8104.6171.3-84.5153.5000107.7S3 G7 I118S3-L5 PolarHBondContact O-N 2.56Å; L5-G7 PolarHBondContact O-N 3.21Å; L5-I118 HydrophobicContact CB-CD1 4.31Å
6K65.3Low76.1Confident186 Ų18679.6 Ų79.681%0.80943%0.43SS*.  trans-76.21.9-174.5-75.4-169.1176.7-175.60113.2T4T4-K6 WeakPolarHBondContact O-CG 3.47Å; T4-K6 PolarHBondContact O-N 2.74Å
7G81.4Confident77.4Confident11 Ų1174.9 Ų74.911%0.11341%0.405CS..SBendtrans-161.3170.2179.300000112.6L5 R114L5-G7 PolarHBondContact O-N 3.21Å; G7-R114 CarbonylContact C-O 3.55Å; G7-R114 WeakPolarHBondContact CA-O 3.47Å
8I92.3Very high78.6Confident8 Ų870.9 Ų70.94%0.04138%0.383CS..BIsolated β-bridgetrans-111.9125.6-174.9-172.166.5000109.1L16 P113 R114 K116 I121 T185I8-L16 HydrophobicContact CD1-CD1 3.71Å; I8-P113 WeakPolarHBondContact O-CA 3.45Å; I8-R114 HydrophobicContact CG2-CB 3.8Å; I8-R114 PolarHBondContact N-O 3.05Å; I8-R114 PolarHBondContact O-N 3.22Å; I8-K116 HydrophobicContact CG2-CB 4.3Å; I8-I121 HydrophobicContact CB-CD1 4.43Å; I8-I121 HydrophobicContact CD1-CD1 4.41Å; I8-I121 HydrophobicContact CG1-CD1 4.23Å; I8-T185 WeakPolarHBondContact CG2-O 3.46Å
9T94.1Very high79.6Confident61 Ų6170.6 Ų70.637%0.37438%0.379SS..  trans-89.3164.717561.20000109.9K11 G12 S13 P113T9-K11 VanDerWaalsContact C-N 3.26Å; T9-K11 PolarHBondContact O-N 2.77Å; T9-G12 PolarHBondContact O-N 3.24Å; T9-G12 PolarHBondContact OG1-N 3.08Å; T9-G12 VanDerWaalsContact OG1-N 3.07Å; T9-S13 WeakPolarHBondContact O-CB 3.19Å; T9-S13 PolarHBondContact O-N 2.9Å; T9-P113 HydrophobicContact CG2-CB 4.29Å; T9-P113 HydrophobicContact CG2-CG 4.08Å
10L94.5Very high80.5Confident18 Ų1867.1 Ų67.19%0.09436%0.36CS..Hα-helixtrans-54.6-44.4173.5176.659.2000111.7S13 A14 F74 A107 K108 I187L10-S13 WeakPolarHBondContact O-CB 3.47Å; L10-S13 PolarHBondContact O-N 2.91Å; L10-A14 PolarHBondContact O-N 3.45Å; L10-F74 HydrophobicContact CD2-CD2 4.29Å; L10-F74 HydrophobicContact CD2-CE2 4.18Å; L10-F74 WeakPolarHBondContact CD2-O 3.18Å; L10-F74 HydrophobicContact CG-CD2 3.98Å; L10-F74 HydrophobicContact CG-CE2 4.14Å; L10-A107 HydrophobicContact CB-CB 4.47Å; L10-K108 HydrophobicContact CD2-CG 3.66Å; L10-I187 HydrophobicContact CB-CD1 4.41Å; L10-I187 HydrophobicContact CD1-CG2 3.62Å
11K94.5Very high81.4Confident126 Ų12664 Ų6455%0.54834%0.343SS..Hα-helixtrans-60-50.3174.8-177.5175.6175.8177.90112.4T9 S13 A14 E15 F74T9-K11 VanDerWaalsContact C-N 3.26Å; T9-K11 PolarHBondContact O-N 2.77Å; K11-S13 PolarHBondContact O-N 3.44Å; K11-A14 PolarHBondContact O-N 2.65Å; K11-E15 WeakPolarHBondContact CE-OE1 3.47Å; K11-E15 WeakPolarHBondContact O-CG 3.29Å; K11-E15 PolarHBondContact O-N 3.37Å; K11-F74 HydrophobicContact CB-CD2 4.23Å; K11-F74 HydrophobicContact CB-CE2 4.08Å
12G94.9Very high84.5Confident13 Ų1353.9 Ų53.913%0.13430%0.297CS..Hα-helixtrans-63.4-34178.800000112.3T9 L16T9-G12 PolarHBondContact O-N 3.24Å; T9-G12 PolarHBondContact OG1-N 3.08Å; T9-G12 VanDerWaalsContact OG1-N 3.07Å; G12-L16 WeakPolarHBondContact O-CG 3.37Å; G12-L16 PolarHBondContact O-N 2.92Å
13S96.8Very high87.3Confident0 Ų048.3 Ų48.30%026%0.261CS..Hα-helixtrans-64.8-47.4173.3177.70000112T9 L10 K11 E15 L16 V17 T185 H188T9-S13 WeakPolarHBondContact O-CB 3.19Å; T9-S13 PolarHBondContact O-N 2.9Å; L10-S13 WeakPolarHBondContact O-CB 3.47Å; L10-S13 PolarHBondContact O-N 2.91Å; K11-S13 PolarHBondContact O-N 3.44Å; S13-E15 VanDerWaalsContact C-N 3.29Å; S13-E15 PolarHBondContact O-N 2.86Å; S13-L16 PolarHBondContact O-N 2.59Å; S13-V17 VanDerWaalsContact O-CG2 3.31Å; S13-V17 WeakPolarHBondContact O-CG2 3.42Å; S13-V17 PolarHBondContact O-N 3.31Å; S13-T185 WeakPolarHBondContact CB-OG1 3.35Å; S13-T185 WeakPolarHBondContact OG-CB 3.34Å; S13-T185 WeakPolarHBondContact OG-CG2 3.21Å; S13-T185 PolarHBondContact OG-OG1 2.73Å; S13-H188 PolarHBondContact OG-ND1 2.93Å
14A97.4Very high90.1Very high1 Ų142.7 Ų42.71%0.00822%0.223CC..Hα-helixtrans-61.7-40.2178.600000111.1L10 K11 V17 A18 K70 L73 F74L10-A14 PolarHBondContact O-N 3.45Å; K11-A14 PolarHBondContact O-N 2.65Å; A14-V17 PolarHBondContact O-N 3.16Å; A14-A18 WeakPolarHBondContact O-CB 3.29Å; A14-A18 PolarHBondContact O-N 2.86Å; A14-K70 HydrophobicContact CB-CG 4.48Å; A14-L73 HydrophobicContact CB-CB 3.85Å; A14-F74 HydrophobicContact CB-CB 4.21Å
15E97.1Very high92.4Very high90 Ų9037.4 Ų37.442%0.42119%0.19SC..Hα-helixtrans-61.2-47.3174.9-73.6170.4177.400112.3K11 S13 A18 E19 K70K11-E15 WeakPolarHBondContact CE-OE1 3.47Å; K11-E15 WeakPolarHBondContact O-CG 3.29Å; K11-E15 PolarHBondContact O-N 3.37Å; S13-E15 VanDerWaalsContact C-N 3.29Å; S13-E15 PolarHBondContact O-N 2.86Å; E15-A18 PolarHBondContact O-N 3.28Å; E15-E19 WeakPolarHBondContact O-CB 3.48Å; E15-E19 PolarHBondContact O-N 2.79Å; E15-K70 HydrophobicContact CG-CD 4.07Å
16L97.5Very high94.6Very high22 Ų2231.8 Ų31.812%0.11516%0.16CC..Hα-helixtrans-65.8-39.8178.7-73.9174000112.8I8 G12 S13 F20 I121I8-L16 HydrophobicContact CD1-CD1 3.71Å; G12-L16 WeakPolarHBondContact O-CG 3.37Å; G12-L16 PolarHBondContact O-N 2.92Å; S13-L16 PolarHBondContact O-N 2.59Å; L16-F20 PolarHBondContact O-N 3.35Å; L16-I121 HydrophobicContact CD1-CD1 4.08Å; L16-I121 HydrophobicContact CD1-CG2 4.03Å
17V98.3Very high96.1Very high0 Ų023.1 Ų23.10%012%0.124CC..Hα-helixtrans-70-41.7178.7174.20000110.8S13 A14 F20 F21 L73 F183 T185 H188 V190S13-V17 VanDerWaalsContact O-CG2 3.31Å; S13-V17 WeakPolarHBondContact O-CG2 3.42Å; S13-V17 PolarHBondContact O-N 3.31Å; A14-V17 PolarHBondContact O-N 3.16Å; V17-F20 WeakPolarHBondContact O-CB 3.2Å; V17-F20 PolarHBondContact O-N 2.77Å; V17-F21 HydrophobicContact CG1-CD2 3.86Å; V17-F21 HydrophobicContact CG1-CE2 3.52Å; V17-F21 WeakPolarHBondContact O-CD2 3.2Å; V17-F21 PolarHBondContact O-N 2.82Å; V17-L73 HydrophobicContact CB-CD1 4Å; V17-L73 HydrophobicContact CG1-CD1 3.67Å; V17-L73 HydrophobicContact CG1-CD2 3.89Å; V17-L73 HydrophobicContact CG1-CG 4.46Å; V17-F183 HydrophobicContact CG2-CE2 4.04Å; V17-F183 HydrophobicContact CG2-CZ 4.24Å; V17-T185 HydrophobicContact CG2-CG2 4.07Å; V17-H188 HydrophobicContact CG2-CB 3.82Å; V17-V190 HydrophobicContact CG1-CG2 3.9Å; V17-V190 HydrophobicContact CG2-CG2 4.32Å
18A98.1Very high96.9Very high3 Ų322.6 Ų22.63%0.02512%0.118CC..Hα-helixtrans-63.2-40.7174.600000111.9A14 E15 F21 S22 V66 K70 L73A14-A18 WeakPolarHBondContact O-CB 3.29Å; A14-A18 PolarHBondContact O-N 2.86Å; E15-A18 PolarHBondContact O-N 3.28Å; A18-F21 PolarHBondContact O-N 2.84Å; A18-S22 PolarHBondContact O-N 3.25Å; A18-V66 HydrophobicContact CB-CG1 3.93Å; A18-V66 WeakPolarHBondContact O-CG1 3.29Å; A18-K70 HydrophobicContact CB-CB 3.86Å; A18-K70 HydrophobicContact CB-CG 4.23Å; A18-L73 HydrophobicContact CB-CD1 4.25Å
19E97.5Very high97.2Very high65 Ų6522.2 Ų22.230%0.30412%0.116SC..Hα-helixtrans-61-45.8173.6-171.7-174.5-125.700111.3E15 F21 S22 F23 Q45 Y46E15-E19 WeakPolarHBondContact O-CB 3.48Å; E15-E19 PolarHBondContact O-N 2.79Å; E19-F21 VanDerWaalsContact C-N 3.3Å; E19-F21 PolarHBondContact O-N 2.72Å; E19-S22 WeakPolarHBondContact O-CB 3.38Å; E19-S22 PolarHBondContact O-N 2.9Å; E19-S22 VanDerWaalsContact O-N 3.15Å; E19-F23 HydrophobicContact CG-CD2 3.9Å; E19-F23 HydrophobicContact CG-CE2 3.63Å; E19-F23 VanDerWaalsContact O-CD2 3.26Å; E19-F23 WeakPolarHBondContact O-CD2 3.41Å; E19-F23 PolarHBondContact O-N 3.37Å; E19-F23 VanDerWaalsContact O-N 3.15Å; E19-Q45 VanDerWaalsContact CD-NE2 3.33Å; E19-Q45 PolarHBondContact OE1-NE2 2.83Å; E19-Q45 PolarHBondContact OE2-NE2 3.43Å; E19-Y46 VanDerWaalsContact CD-OH 3.25Å; E19-Y46 VanDerWaalsContact CG-OH 3.29Å; E19-Y46 WeakPolarHBondContact CG-OH 3.23Å; E19-Y46 WeakPolarHBondContact OE2-CE1 3.49Å; E19-Y46 VanDerWaalsContact OE2-CZ 3.28Å; E19-Y46 PolarHBondContact OE2-OH 2.98Å
20F98.1Very high97.3Very high0 Ų022.7 Ų22.70%011%0.111CC..Hα-helixtrans-53.3-47.3173.4162-100.2000111.5L16 V17 S22 F23 G24 F99 I125 V128 I129 F183 V190L16-F20 PolarHBondContact O-N 3.35Å; V17-F20 WeakPolarHBondContact O-CB 3.2Å; V17-F20 PolarHBondContact O-N 2.77Å; F20-S22 VanDerWaalsContact C-N 3.35Å; F20-S22 PolarHBondContact O-N 2.83Å; F20-F23 PolarHBondContact O-N 2.93Å; F20-G24 PolarHBondContact O-N 3.31Å; F20-F99 HydrophobicContact CE1-CD1 4.02Å; F20-F99 HydrophobicContact CE1-CE1 4.11Å; F20-F99 HydrophobicContact CZ-CD1 4.19Å; F20-F99 AromaticContact CZ-CE1 3.91Å; F20-F99 HydrophobicContact CZ-CE1 3.91Å; F20-I125 HydrophobicContact CB-CD1 4.41Å; F20-I125 HydrophobicContact CB-CG2 4.49Å; F20-I125 HydrophobicContact CD2-CG2 3.9Å; F20-V128 HydrophobicContact CE2-CB 4.21Å; F20-V128 HydrophobicContact CE2-CG1 3.8Å; F20-V128 HydrophobicContact CZ-CG1 3.81Å; F20-I129 HydrophobicContact CD2-CD1 4.34Å; F20-I129 HydrophobicContact CD2-CG1 4.15Å; F20-I129 HydrophobicContact CE2-CG1 3.99Å; F20-F183 HydrophobicContact CB-CE1 4.31Å; F20-F183 HydrophobicContact CB-CZ 3.89Å; F20-F183 AromaticContact CD1-CE1 3.5Å; F20-F183 HydrophobicContact CD1-CE1 3.5Å; F20-F183 AromaticContact CD1-CZ 3.68Å; F20-F183 HydrophobicContact CD1-CZ 3.68Å; F20-F183 AromaticContact CD2-CE1 3.84Å; F20-F183 HydrophobicContact CD2-CE1 3.84Å; F20-F183 HydrophobicContact CD2-CZ 4.28Å; F20-F183 AromaticContact CE1-CE1 3.67Å; F20-F183 HydrophobicContact CE1-CE1 3.67Å; F20-F183 HydrophobicContact CE1-CZ 4.29Å; F20-F183 AromaticContact CE2-CE1 3.97Å; F20-F183 HydrophobicContact CE2-CE1 3.97Å; F20-F183 AromaticContact CG-CE1 3.58Å; F20-F183 HydrophobicContact CG-CE1 3.58Å; F20-F183 AromaticContact CG-CZ 3.66Å; F20-F183 HydrophobicContact CG-CZ 3.66Å; F20-F183 AromaticContact CZ-CE1 3.88Å; F20-F183 HydrophobicContact CZ-CE1 3.88Å; F20-V190 HydrophobicContact CE1-CG1 4.12Å
21F98.4Very high97.4Very high1 Ų125 Ų250%0.00412%0.122CC..Hα-helixtrans-63.4-38.9179-78.3-61.9000112.9V17 A18 E19 F23 G24 I25 L69 L81 F99 I101 V190V17-F21 HydrophobicContact CG1-CD2 3.86Å; V17-F21 HydrophobicContact CG1-CE2 3.52Å; V17-F21 WeakPolarHBondContact O-CD2 3.2Å; V17-F21 PolarHBondContact O-N 2.82Å; A18-F21 PolarHBondContact O-N 2.84Å; E19-F21 VanDerWaalsContact C-N 3.3Å; E19-F21 PolarHBondContact O-N 2.72Å; F21-F23 VanDerWaalsContact C-N 3.33Å; F21-F23 PolarHBondContact O-N 2.86Å; F21-G24 PolarHBondContact O-N 3.37Å; F21-I25 HydrophobicContact CB-CD1 4.35Å; F21-I25 VanDerWaalsContact O-CB 3.29Å; F21-I25 WeakPolarHBondContact O-CB 3.41Å; F21-I25 WeakPolarHBondContact O-CD1 3.31Å; F21-I25 WeakPolarHBondContact O-CG1 3.46Å; F21-I25 PolarHBondContact O-N 2.91Å; F21-L69 HydrophobicContact CB-CD2 3.97Å; F21-L69 HydrophobicContact CD2-CD2 3.4Å; F21-L69 HydrophobicContact CE2-CD2 4.05Å; F21-L69 HydrophobicContact CG-CD2 3.78Å; F21-L81 HydrophobicContact CD1-CB 4.48Å; F21-L81 HydrophobicContact CD1-CD1 3.89Å; F21-L81 HydrophobicContact CD1-CD2 3.99Å; F21-L81 HydrophobicContact CD1-CG 4.36Å; F21-L81 HydrophobicContact CE1-CB 3.89Å; F21-L81 HydrophobicContact CE1-CD1 4.14Å; F21-L81 HydrophobicContact CE1-CD2 3.96Å; F21-L81 HydrophobicContact CE1-CG 4.22Å; F21-L81 HydrophobicContact CG-CD1 4.14Å; F21-L81 HydrophobicContact CZ-CB 4.05Å; F21-F99 HydrophobicContact CE1-CB 3.51Å; F21-F99 HydrophobicContact CE1-CD1 4.08Å; F21-F99 AromaticContact CE1-CD2 3.83Å; F21-F99 HydrophobicContact CE1-CD2 3.83Å; F21-F99 AromaticContact CE1-CG 3.54Å; F21-F99 HydrophobicContact CE1-CG 3.54Å; F21-F99 HydrophobicContact CZ-CB 3.74Å; F21-F99 HydrophobicContact CZ-CG 4.26Å; F21-I101 HydrophobicContact CE2-CD1 3.83Å; F21-I101 HydrophobicContact CE2-CG1 4.37Å; F21-I101 HydrophobicContact CZ-CD1 3.77Å; F21-I101 HydrophobicContact CZ-CG1 4.14Å; F21-V190 HydrophobicContact CZ-CG1 4.22Å
22S97.5Very high97.5Very high36 Ų3620.1 Ų20.125%0.25210%0.1SC..Hα-helixtrans-56.1-47.7173.9-1780000111.5A18 E19 F20 N26A18-S22 PolarHBondContact O-N 3.25Å; E19-S22 WeakPolarHBondContact O-CB 3.38Å; E19-S22 PolarHBondContact O-N 2.9Å; E19-S22 VanDerWaalsContact O-N 3.15Å; F20-S22 VanDerWaalsContact C-N 3.35Å; F20-S22 PolarHBondContact O-N 2.83Å; S22-N26 PolarHBondContact O-N 2.91Å; S22-N26 PolarHBondContact O-ND2 2.64Å
23F98Very high97.6Very high18 Ų1822.1 Ų22.18%0.07912%0.12CC..Hα-helixtrans-75-39.4179.2-72.9-69.7000113.5E19 F20 F21 S27 V43 Q45 Y46 L50 L52 I129E19-F23 HydrophobicContact CG-CD2 3.9Å; E19-F23 HydrophobicContact CG-CE2 3.63Å; E19-F23 VanDerWaalsContact O-CD2 3.26Å; E19-F23 WeakPolarHBondContact O-CD2 3.41Å; E19-F23 PolarHBondContact O-N 3.37Å; E19-F23 VanDerWaalsContact O-N 3.15Å; F20-F23 PolarHBondContact O-N 2.93Å; F21-F23 VanDerWaalsContact C-N 3.33Å; F21-F23 PolarHBondContact O-N 2.86Å; F23-S27 WeakPolarHBondContact O-CB 3.39Å; F23-S27 PolarHBondContact O-N 2.79Å; F23-S27 PolarHBondContact O-OG 3.4Å; F23-V43 HydrophobicContact CE1-CG2 3.81Å; F23-Q45 HydrophobicContact CD2-CG 4.14Å; F23-Q45 HydrophobicContact CE1-CB 4Å; F23-Q45 HydrophobicContact CE1-CG 4.3Å; F23-Q45 HydrophobicContact CE2-CB 4.17Å; F23-Q45 HydrophobicContact CE2-CG 3.54Å; F23-Q45 HydrophobicContact CZ-CB 3.74Å; F23-Q45 HydrophobicContact CZ-CG 3.63Å; F23-Y46 AromaticContact CD2-CE2 3.89Å; F23-Y46 HydrophobicContact CD2-CE2 3.89Å; F23-Y46 HydrophobicContact CE2-CE2 4.47Å; F23-Y46 HydrophobicContact CG-CE2 4.46Å; F23-L50 HydrophobicContact CB-CD1 4Å; F23-L50 HydrophobicContact CD1-CB 4.14Å; F23-L50 HydrophobicContact CD1-CD1 3.61Å; F23-L50 HydrophobicContact CE1-CD1 4.28Å; F23-L50 HydrophobicContact CG-CD1 3.86Å; F23-L52 HydrophobicContact CD1-CD2 3.74Å; F23-L52 HydrophobicContact CD1-CG 4.2Å; F23-L52 HydrophobicContact CE1-CD1 3.75Å; F23-L52 HydrophobicContact CE1-CD2 3.78Å; F23-L52 HydrophobicContact CE1-CG 3.84Å; F23-L52 HydrophobicContact CZ-CD1 4.31Å; F23-I129 HydrophobicContact CB-CD1 4.18Å
24G97.6Very high97.6Very high1 Ų123.2 Ų23.21%0.0113%0.126CC..Hα-helixtrans-63.2-46.7179.800000112F20 F21 S27 I28F20-G24 PolarHBondContact O-N 3.31Å; F21-G24 PolarHBondContact O-N 3.37Å; G24-S27 WeakPolarHBondContact O-CB 3.38Å; G24-S27 PolarHBondContact O-N 3.27Å; G24-I28 WeakPolarHBondContact O-CG1 3.41Å; G24-I28 PolarHBondContact O-N 2.87Å
25I98.4Very high97.6Very high2 Ų226.3 Ų26.31%0.0114%0.138CC..Hα-helixtrans-62.5-50.6177-67.2164.2000110.3F21 S27 I28 L29 L62 L81 L83 L150F21-I25 HydrophobicContact CB-CD1 4.35Å; F21-I25 VanDerWaalsContact O-CB 3.29Å; F21-I25 WeakPolarHBondContact O-CB 3.41Å; F21-I25 WeakPolarHBondContact O-CD1 3.31Å; F21-I25 WeakPolarHBondContact O-CG1 3.46Å; F21-I25 PolarHBondContact O-N 2.91Å; I25-S27 PolarHBondContact O-N 2.96Å; I25-I28 PolarHBondContact O-N 3.41Å; I25-I28 VanDerWaalsContact O-N 3.11Å; I25-L29 HydrophobicContact CG2-CD1 3.94Å; I25-L29 HydrophobicContact CG2-CG 4.21Å; I25-L29 WeakPolarHBondContact O-CG 3.47Å; I25-L29 PolarHBondContact O-N 3.37Å; I25-L62 HydrophobicContact CG2-CD1 4.3Å; I25-L62 HydrophobicContact CG2-CD2 3.7Å; I25-L81 HydrophobicContact CD1-CD1 4.43Å; I25-L81 HydrophobicContact CD1-CD2 4.46Å; I25-L83 HydrophobicContact CB-CD1 4.43Å; I25-L83 HydrophobicContact CG1-CD1 4.38Å; I25-L83 HydrophobicContact CG2-CD1 3.95Å; I25-L150 HydrophobicContact CD1-CD1 4.06Å; I25-L150 HydrophobicContact CD1-CD2 4.06Å; I25-L150 HydrophobicContact CG1-CD2 4.28Å; I25-L150 HydrophobicContact CG2-CD1 4.47Å
26N98.3Very high97.6Very high5 Ų525 Ų253%0.02714%0.137CC..Hα-helixtrans-57.8-38.4177-84.2-85.9000112.3S22 L29 Y30 Q51 L52 T53S22-N26 PolarHBondContact O-N 2.91Å; S22-N26 PolarHBondContact O-ND2 2.64Å; N26-L29 PolarHBondContact O-N 2.86Å; N26-Y30 WeakPolarHBondContact O-CB 3.3Å; N26-Y30 PolarHBondContact O-N 2.9Å; N26-Q51 WeakPolarHBondContact CB-O 3.39Å; N26-L52 HydrophobicContact CB-CD2 3.99Å; N26-T53 WeakPolarHBondContact OD1-CG2 3.45Å; N26-T53 PolarHBondContact OD1-N 2.97Å
27S97.4Very high97.5Very high5 Ų527.9 Ų27.94%0.03516%0.157CC..Hα-helixtrans-63.8-43.4176.7-60.30000111.7F23 G24 I25 Q31F23-S27 WeakPolarHBondContact O-CB 3.39Å; F23-S27 PolarHBondContact O-N 2.79Å; F23-S27 PolarHBondContact O-OG 3.4Å; G24-S27 WeakPolarHBondContact O-CB 3.38Å; G24-S27 PolarHBondContact O-N 3.27Å; I25-S27 PolarHBondContact O-N 2.96Å; S27-Q31 WeakPolarHBondContact O-CB 3.12Å; S27-Q31 WeakPolarHBondContact O-CG 3.47Å; S27-Q31 PolarHBondContact O-N 2.95Å
28I98.1Very high97.5Very high0 Ų034.7 Ų34.70%019%0.189CC..Hα-helixtrans-64.6-49.2176.7-66.3163.8000110.5G24 I25 Y30 Q31 R32 L83 I85 W97 F99 I132G24-I28 WeakPolarHBondContact O-CG1 3.41Å; G24-I28 PolarHBondContact O-N 2.87Å; I25-I28 PolarHBondContact O-N 3.41Å; I25-I28 VanDerWaalsContact O-N 3.11Å; I28-Y30 VanDerWaalsContact C-N 3.26Å; I28-Y30 PolarHBondContact O-N 2.88Å; I28-Q31 PolarHBondContact O-N 2.82Å; I28-R32 HydrophobicContact CG2-CG 4.05Å; I28-R32 WeakPolarHBondContact O-CB 3.48Å; I28-R32 WeakPolarHBondContact O-CG 3.26Å; I28-R32 PolarHBondContact O-N 2.98Å; I28-L83 HydrophobicContact CB-CD1 4.12Å; I28-L83 HydrophobicContact CD1-CD1 4.29Å; I28-L83 HydrophobicContact CG2-CD1 3.96Å; I28-L83 HydrophobicContact CG2-CD2 3.97Å; I28-I85 HydrophobicContact CG2-CD1 4.18Å; I28-W97 HydrophobicContact CD1-CB 3.9Å; I28-W97 HydrophobicContact CD1-CD2 3.67Å; I28-W97 HydrophobicContact CD1-CE3 3.76Å; I28-W97 HydrophobicContact CD1-CG 3.76Å; I28-W97 HydrophobicContact CG1-CD2 4.03Å; I28-W97 HydrophobicContact CG1-CE3 4.14Å; I28-W97 HydrophobicContact CG1-CG 4.43Å; I28-W97 HydrophobicContact CG1-CZ3 4.5Å; I28-W97 HydrophobicContact CG2-CD2 4.35Å; I28-W97 HydrophobicContact CG2-CG 4.27Å; I28-F99 HydrophobicContact CD1-CE2 4.19Å; I28-F99 HydrophobicContact CD1-CZ 3.91Å; I28-I132 HydrophobicContact CD1-CG2 4.43Å; I28-I132 HydrophobicContact CG1-CG2 3.63Å
29L98.3Very high97.5Very high0 Ų035.9 Ų35.90%020%0.196CC..Hα-helixtrans-58.2-39.4-179.3-64.7-180000112.2I25 N26 G33 I34 F40 L58 L62 L83 F148I25-L29 HydrophobicContact CG2-CD1 3.94Å; I25-L29 HydrophobicContact CG2-CG 4.21Å; I25-L29 WeakPolarHBondContact O-CG 3.47Å; I25-L29 PolarHBondContact O-N 3.37Å; N26-L29 PolarHBondContact O-N 2.86Å; L29-G33 PolarHBondContact O-N 2.94Å; L29-I34 HydrophobicContact CB-CB 4.49Å; L29-I34 HydrophobicContact CD2-CB 3.94Å; L29-I34 HydrophobicContact CD2-CG1 3.95Å; L29-I34 HydrophobicContact CD2-CG2 3.99Å; L29-I34 PolarHBondContact O-N 3.5Å; L29-F40 HydrophobicContact CB-CZ 4.12Å; L29-L58 HydrophobicContact CD1-CD1 4.09Å; L29-L58 HydrophobicContact CD1-CD2 3.94Å; L29-L62 HydrophobicContact CD1-CD1 4.39Å; L29-L83 HydrophobicContact CD2-CD1 4.29Å; L29-F148 HydrophobicContact CD1-CE1 4.46Å; L29-F148 HydrophobicContact CD1-CE2 4.41Å; L29-F148 HydrophobicContact CD1-CZ 4.27Å; L29-F148 HydrophobicContact CD2-CB 3.99Å; L29-F148 HydrophobicContact CD2-CD1 3.78Å; L29-F148 HydrophobicContact CD2-CD2 3.88Å; L29-F148 HydrophobicContact CD2-CE1 4.26Å; L29-F148 HydrophobicContact CD2-CE2 4.31Å; L29-F148 HydrophobicContact CD2-CG 3.57Å; L29-F148 HydrophobicContact CD2-CZ 4.5Å
30Y97.5Very high97.5Very high70 Ų7033.7 Ų33.728%0.27519%0.186SC..Hα-helixtrans-69.1-51175.3178.2-99000112.3N26 I28 R32 G33 P37 F40 Q51N26-Y30 WeakPolarHBondContact O-CB 3.3Å; N26-Y30 PolarHBondContact O-N 2.9Å; I28-Y30 VanDerWaalsContact C-N 3.26Å; I28-Y30 PolarHBondContact O-N 2.88Å; Y30-R32 VanDerWaalsContact C-N 3.33Å; Y30-R32 PolarHBondContact O-N 2.85Å; Y30-G33 PolarHBondContact O-N 3.33Å; Y30-P37 HydrophobicContact CE2-CB 3.91Å; Y30-F40 HydrophobicContact CD2-CB 3.99Å; Y30-F40 HydrophobicContact CD2-CD1 4.28Å; Y30-F40 AromaticContact CD2-CD2 3.66Å; Y30-F40 HydrophobicContact CD2-CD2 3.66Å; Y30-F40 HydrophobicContact CD2-CE2 4.16Å; Y30-F40 AromaticContact CD2-CG 3.72Å; Y30-F40 HydrophobicContact CD2-CG 3.72Å; Y30-F40 HydrophobicContact CE2-CB 4.36Å; Y30-F40 HydrophobicContact CE2-CD2 4.47Å; Y30-F40 HydrophobicContact CG-CG 4.5Å; Y30-Q51 HydrophobicContact CD1-CB 4.38Å; Y30-Q51 HydrophobicContact CD1-CG 3.76Å; Y30-Q51 HydrophobicContact CD2-CB 4.24Å; Y30-Q51 HydrophobicContact CD2-CG 4Å; Y30-Q51 HydrophobicContact CE1-CG 3.83Å; Y30-Q51 HydrophobicContact CE2-CG 4.06Å; Y30-Q51 HydrophobicContact CG-CB 4.04Å; Y30-Q51 HydrophobicContact CG-CG 3.84Å
31Q96.1Very high97.5Very high66 Ų6636 Ų3631%0.30820%0.202SC..Hα-helixtrans-70.5-27.4-174.2-66.3-66.4-16.700113.4S27 I28 V136S27-Q31 WeakPolarHBondContact O-CB 3.12Å; S27-Q31 WeakPolarHBondContact O-CG 3.47Å; S27-Q31 PolarHBondContact O-N 2.95Å; I28-Q31 PolarHBondContact O-N 2.82Å; Q31-V136 HydrophobicContact CB-CB 4.47Å; Q31-V136 HydrophobicContact CB-CG1 4.27Å; Q31-V136 HydrophobicContact CB-CG2 3.92Å
32R96.7Very high97.4Very high24 Ų2444.7 Ų44.79%0.09124%0.235CC..THydrogen-bonded Turntrans-91.40.2175.2-55.9-46.9-65.9142.8-19.2113.2I28 Y30 I34 I85 E95 P140 L142I28-R32 HydrophobicContact CG2-CG 4.05Å; I28-R32 WeakPolarHBondContact O-CB 3.48Å; I28-R32 WeakPolarHBondContact O-CG 3.26Å; I28-R32 PolarHBondContact O-N 2.98Å; Y30-R32 VanDerWaalsContact C-N 3.33Å; Y30-R32 PolarHBondContact O-N 2.85Å; R32-I34 VanDerWaalsContact C-N 3.28Å; R32-I34 HydrophobicContact CB-CD1 4.18Å; R32-I34 HydrophobicContact CB-CG1 4.14Å; R32-I34 PolarHBondContact O-N 3.23Å; R32-I85 HydrophobicContact CB-CD1 3.85Å; R32-I85 HydrophobicContact CG-CD1 3.65Å; R32-E95 IonicContact CZ-OE1 3.02Å; R32-E95 IonicContact NE-OE1 2.7Å; R32-E95 PolarHBondContact NE-OE1 3.3Å; R32-E95 IonicContact NE-OE2 2.67Å; R32-E95 PolarHBondContact NE-OE2 3.22Å; R32-E95 IonicContact NH2-OE1 3.52Å; R32-E95 PolarHBondContact NH2-OE1 3.19Å; R32-P140 PolarHBondContact NH2-O 3.35Å; R32-L142 HydrophobicContact CB-CD1 4.01Å
33G96Very high97.4Very high55 Ų5545.1 Ų45.157%0.56724%0.236SC*.THydrogen-bonded Turntrans65.927.2176.200000114.2L29 Y30 Y35L29-G33 PolarHBondContact O-N 2.94Å; Y30-G33 PolarHBondContact O-N 3.33Å; G33-Y35 PolarHBondContact O-N 2.98Å
34I97.4Very high97.3Very high23 Ų2349.7 Ų49.712%0.11827%0.265CS..SBendtrans-65.9-33.4178.6-53-55.6000110.8L29 R32 I85 C146 F148L29-I34 HydrophobicContact CB-CB 4.49Å; L29-I34 HydrophobicContact CD2-CB 3.94Å; L29-I34 HydrophobicContact CD2-CG1 3.95Å; L29-I34 HydrophobicContact CD2-CG2 3.99Å; L29-I34 PolarHBondContact O-N 3.5Å; R32-I34 VanDerWaalsContact C-N 3.28Å; R32-I34 HydrophobicContact CB-CD1 4.18Å; R32-I34 HydrophobicContact CB-CG1 4.14Å; R32-I34 PolarHBondContact O-N 3.23Å; I34-I85 HydrophobicContact CD1-CD1 4.22Å; I34-I85 HydrophobicContact CD1-CG1 4.37Å; I34-I85 HydrophobicContact CD1-CG2 3.79Å; I34-C146 HydrophobicContact CD1-CB 3.71Å; I34-F148 HydrophobicContact CG2-CB 4.29Å; I34-F148 HydrophobicContact CG2-CD1 3.84Å; I34-F148 HydrophobicContact CG2-CG 4.44Å
35Y97.3Very high97.1Very high67 Ų6752 Ų5226%0.26328%0.276SS..SBendtrans-122.6150172.1-78.9-99.3000110.1G33 L58 F148G33-Y35 PolarHBondContact O-N 2.98Å; Y35-L58 HydrophobicContact CD1-CD2 4.16Å; Y35-L58 HydrophobicContact CD2-CD2 3.75Å; Y35-L58 HydrophobicContact CE1-CB 4.34Å; Y35-L58 HydrophobicContact CE1-CD2 4.07Å; Y35-L58 HydrophobicContact CE2-CD1 4.02Å; Y35-L58 HydrophobicContact CE2-CD2 3.66Å; Y35-L58 HydrophobicContact CE2-CG 4.37Å; Y35-L58 HydrophobicContact CG-CD2 4.01Å; Y35-F148 HydrophobicContact CE2-CD1 4.15Å; Y35-F148 AromaticContact CE2-CE1 3.71Å; Y35-F148 HydrophobicContact CE2-CE1 3.71Å
36P96.5Very high96.8Very high61 Ų6152.3 Ų52.340%0.39628%0.277SS..  trans-60.5142179.3-22.332.8000112.3E38 T39 F40P36-E38 HydrophobicContact CB-CG 4.27Å; P36-E38 WeakPolarHBondContact CB-OE1 3.42Å; P36-E38 VanDerWaalsContact CB-OE2 3.23Å; P36-E38 WeakPolarHBondContact CB-OE2 3.42Å; P36-E38 PolarHBondContact O-N 3.1Å; P36-E38 VanDerWaalsContact O-N 3.17Å; P36-T39 HydrophobicContact CB-CG2 4.24Å; P36-T39 HydrophobicContact CG-CG2 4.38Å; P36-T39 WeakPolarHBondContact O-CB 3.33Å; P36-T39 PolarHBondContact O-N 2.75Å; P36-T39 PolarHBondContact O-OG1 3.16Å; P36-F40 WeakPolarHBondContact O-CD2 3.46Å
37P96.2Very high96.5Very high83 Ų8358.2 Ų58.254%0.53931%0.309SS..G310 helixtrans-60.9-28.4-174.424.5-34.4000113.8Y30 T39 F40Y30-P37 HydrophobicContact CE2-CB 3.91Å; P37-T39 PolarHBondContact O-N 3.17Å; P37-F40 PolarHBondContact O-N 2.84Å
38E97.3Very high96.2Very high143 Ų14359.3 Ų59.367%0.66831%0.313SS*.G310 helixtrans-67.2-17.1175.166.6-86.8-15900113.7P36 F40P36-E38 HydrophobicContact CB-CG 4.27Å; P36-E38 WeakPolarHBondContact CB-OE1 3.42Å; P36-E38 VanDerWaalsContact CB-OE2 3.23Å; P36-E38 WeakPolarHBondContact CB-OE2 3.42Å; P36-E38 PolarHBondContact O-N 3.1Å; P36-E38 VanDerWaalsContact O-N 3.17Å; E38-F40 PolarHBondContact O-N 3.18Å
39T97.9Very high96.1Very high29 Ų2962.3 Ų62.318%0.17834%0.335CS..G310 helixtrans-86.512.417471.40000112.9P36 P37 T53 T54P36-T39 HydrophobicContact CB-CG2 4.24Å; P36-T39 HydrophobicContact CG-CG2 4.38Å; P36-T39 WeakPolarHBondContact O-CB 3.33Å; P36-T39 PolarHBondContact O-N 2.75Å; P36-T39 PolarHBondContact O-OG1 3.16Å; P37-T39 PolarHBondContact O-N 3.17Å; T39-T53 CarbonylContact O-C 3.58Å; T39-T53 VanDerWaalsContact O-CA 3.32Å; T39-T53 WeakPolarHBondContact O-CA 3.45Å; T39-T53 PolarHBondContact O-OG1 3.49Å; T39-T54 VanDerWaalsContact C-OG1 3.23Å; T39-T54 PolarHBondContact O-N 2.87Å; T39-T54 PolarHBondContact O-OG1 2.84Å; T39-T54 VanDerWaalsContact O-OG1 3.07Å
40F98.4Very high96Very high18 Ų1862.9 Ų62.98%0.07934%0.337CS..EExtended strand (participates in β ladder)trans-122.6146.9174.4-66.4-96000111.3L29 Y30 P36 P37 E38 Q51 L52L29-F40 HydrophobicContact CB-CZ 4.12Å; Y30-F40 HydrophobicContact CD2-CB 3.99Å; Y30-F40 HydrophobicContact CD2-CD1 4.28Å; Y30-F40 AromaticContact CD2-CD2 3.66Å; Y30-F40 HydrophobicContact CD2-CD2 3.66Å; Y30-F40 HydrophobicContact CD2-CE2 4.16Å; Y30-F40 AromaticContact CD2-CG 3.72Å; Y30-F40 HydrophobicContact CD2-CG 3.72Å; Y30-F40 HydrophobicContact CE2-CB 4.36Å; Y30-F40 HydrophobicContact CE2-CD2 4.47Å; Y30-F40 HydrophobicContact CG-CG 4.5Å; P36-F40 WeakPolarHBondContact O-CD2 3.46Å; P37-F40 PolarHBondContact O-N 2.84Å; E38-F40 PolarHBondContact O-N 3.18Å; F40-Q51 HydrophobicContact CB-CB 4.19Å; F40-Q51 HydrophobicContact CD1-CB 4.1Å; F40-Q51 HydrophobicContact CG-CB 4.45Å; F40-L52 CarbonylContact C-O 3.55Å; F40-L52 WeakPolarHBondContact CA-O 3.46Å
41S97.6Very high95.8Very high49 Ų4961.1 Ų61.134%0.34333%0.332SS..EExtended strand (participates in β ladder)trans-121.2149.5172.9660000110.6Q51 L52 T54S41-Q51 WeakPolarHBondContact O-CA 3.49Å; S41-Q51 PolarHBondContact O-OE1 2.79Å; S41-L52 PolarHBondContact N-O 2.82Å; S41-L52 PolarHBondContact O-N 2.95Å; S41-L52 PolarHBondContact OG-O 2.85Å; S41-T54 WeakPolarHBondContact OG-CG2 3.37Å
42R97Very high95.9Very high184 Ų18459.9 Ų59.969%0.69433%0.327SS*.EExtended strand (participates in β ladder)trans-83129.3-179.4-177.1175-80.7-171.21.5110.3S49 L50R42-S49 WeakPolarHBondContact CD-OG 3.48Å; R42-S49 WeakPolarHBondContact CG-OG 3.25Å; R42-S49 PolarHBondContact NE-OG 2.8Å; R42-S49 VanDerWaalsContact NE-OG 3.1Å; R42-L50 CarbonylContact C-O 3.58Å; R42-L50 WeakPolarHBondContact CA-O 3.14Å
43V96.8Very high95.9Very high44 Ų4459.2 Ų59.227%0.26733%0.326SS..EExtended strand (participates in β ladder)trans-128.4153.8172.4-59.60000110.6F23 L50 L52F23-V43 HydrophobicContact CE1-CG2 3.81Å; V43-L50 HydrophobicContact CG2-CB 4.39Å; V43-L50 PolarHBondContact N-O 2.83Å; V43-L50 PolarHBondContact O-N 2.85Å; V43-L52 HydrophobicContact CB-CD1 4.44Å; V43-L52 HydrophobicContact CG1-CD1 4.06Å; V43-L52 HydrophobicContact CG2-CB 4.46Å; V43-L52 HydrophobicContact CG2-CD1 3.65Å; V43-L52 HydrophobicContact CG2-CG 3.72Å
44T96.1Very high96Very high115 Ų11560 Ų6071%0.70632%0.32SS*.EExtended strand (participates in β ladder)trans-98.8117.1175.8-57.20000109.2M48T44-M48 CarbonylContact C-O 3.58Å; T44-M48 VanDerWaalsContact CA-O 3.3Å; T44-M48 WeakPolarHBondContact CA-O 3.13Å
45Q94.3Very high96.1Very high49 Ų4961.5 Ų61.523%0.22933%0.328CS..EExtended strand (participates in β ladder)trans-147.2145.7174.8-175.269.6-2.600110E19 F23 D47 M48 L50E19-Q45 VanDerWaalsContact CD-NE2 3.33Å; E19-Q45 PolarHBondContact OE1-NE2 2.83Å; E19-Q45 PolarHBondContact OE2-NE2 3.43Å; F23-Q45 HydrophobicContact CD2-CG 4.14Å; F23-Q45 HydrophobicContact CE1-CB 4Å; F23-Q45 HydrophobicContact CE1-CG 4.3Å; F23-Q45 HydrophobicContact CE2-CB 4.17Å; F23-Q45 HydrophobicContact CE2-CG 3.54Å; F23-Q45 HydrophobicContact CZ-CB 3.74Å; F23-Q45 HydrophobicContact CZ-CG 3.63Å; Q45-D47 PolarHBondContact O-N 3.5Å; Q45-M48 PolarHBondContact N-O 3.39Å; Q45-M48 WeakPolarHBondContact O-CA 3.34Å; Q45-M48 WeakPolarHBondContact O-CB 3.48Å; Q45-M48 PolarHBondContact O-N 2.94Å; Q45-M48 VanDerWaalsContact O-O 3.06Å; Q45-L50 HydrophobicContact CB-CD1 4.22Å
46Y92.2Very high96.1Very high8 Ų863.7 Ų63.73%0.03135%0.348CS..THydrogen-bonded Turntrans52.339.5-176-47-57.6000112.2E19 F23 M48 L50 Q122 I125 R126 I129E19-Y46 VanDerWaalsContact CD-OH 3.25Å; E19-Y46 VanDerWaalsContact CG-OH 3.29Å; E19-Y46 WeakPolarHBondContact CG-OH 3.23Å; E19-Y46 WeakPolarHBondContact OE2-CE1 3.49Å; E19-Y46 VanDerWaalsContact OE2-CZ 3.28Å; E19-Y46 PolarHBondContact OE2-OH 2.98Å; F23-Y46 AromaticContact CD2-CE2 3.89Å; F23-Y46 HydrophobicContact CD2-CE2 3.89Å; F23-Y46 HydrophobicContact CE2-CE2 4.47Å; F23-Y46 HydrophobicContact CG-CE2 4.46Å; Y46-M48 PolarHBondContact O-N 2.87Å; Y46-M48 VanDerWaalsContact O-N 3.09Å; Y46-L50 HydrophobicContact CD2-CD1 4.26Å; Y46-Q122 HydrophobicContact CD1-CB 4.03Å; Y46-Q122 HydrophobicContact CD1-CG 3.86Å; Y46-Q122 HydrophobicContact CE1-CG 4.08Å; Y46-I125 HydrophobicContact CD1-CG2 4.32Å; Y46-I125 HydrophobicContact CD2-CG2 3.73Å; Y46-I125 HydrophobicContact CE1-CD1 4.46Å; Y46-I125 HydrophobicContact CE1-CG2 4.13Å; Y46-I125 HydrophobicContact CE2-CG2 3.49Å; Y46-I125 VanDerWaalsContact CE2-CG2 3.49Å; Y46-I125 HydrophobicContact CG-CG2 4.13Å; Y46-R126 WeakPolarHBondContact O-CD 3.5Å; Y46-R126 PolarHBondContact O-NE 2.99Å; Y46-I129 HydrophobicContact CD2-CD1 3.77Å; Y46-I129 HydrophobicContact CE2-CD1 3.84Å
47D91.3Very high96.2Very high130 Ų13069.3 Ų69.370%0.69537%0.366SS*.THydrogen-bonded Turntrans53.327.8-174.1-49.9-51.4000114.2Q45 R126Q45-D47 PolarHBondContact O-N 3.5Å; D47-R126 IonicContact OD2-CZ 3.72Å; D47-R126 IonicContact OD2-NH2 2.88Å; D47-R126 PolarHBondContact OD2-NH2 3.4Å
48M92Very high96.2Very high27 Ų2765.5 Ų65.513%0.13334%0.342CS..EExtended strand (participates in β ladder)trans-128154.3176.6-67.9-173.8-59.700111T44 Q45 Y46 L50 R126 I129 R130T44-M48 CarbonylContact C-O 3.58Å; T44-M48 VanDerWaalsContact CA-O 3.3Å; T44-M48 WeakPolarHBondContact CA-O 3.13Å; Q45-M48 PolarHBondContact N-O 3.39Å; Q45-M48 WeakPolarHBondContact O-CA 3.34Å; Q45-M48 WeakPolarHBondContact O-CB 3.48Å; Q45-M48 PolarHBondContact O-N 2.94Å; Q45-M48 VanDerWaalsContact O-O 3.06Å; Y46-M48 PolarHBondContact O-N 2.87Å; Y46-M48 VanDerWaalsContact O-N 3.09Å; M48-L50 HydrophobicContact CB-CD2 4.22Å; M48-L50 HydrophobicContact CB-CG 4.26Å; M48-L50 HydrophobicContact CE-CD1 4.4Å; M48-L50 HydrophobicContact CE-CD2 4.09Å; M48-R126 HydrophobicContact CE-CB 4.07Å; M48-R126 HydrophobicContact CE-CG 3.48Å; M48-R126 VanDerWaalsContact CE-CG 3.48Å; M48-R126 HydrophobicContact CG-CG 3.66Å; M48-R126 HydrophobicContact SD-CB 4.42Å; M48-R126 HydrophobicContact SD-CG 3.29Å; M48-R126 WeakPolarHBondContact SD-CG 3.42Å; M48-I129 HydrophobicContact CE-CB 3.92Å; M48-I129 HydrophobicContact CE-CD1 4.23Å; M48-I129 HydrophobicContact CE-CG2 3.92Å; M48-R130 HydrophobicContact SD-CG 3.45Å; M48-R130 WeakPolarHBondContact SD-CG 3.31Å
49S94.9Very high96.3Very high64 Ų6464.6 Ų64.645%0.44834%0.336SS..EExtended strand (participates in β ladder)trans-87.5109.4169.1-170.50000109.2R42R42-S49 WeakPolarHBondContact CD-OG 3.48Å; R42-S49 WeakPolarHBondContact CG-OG 3.25Å; R42-S49 PolarHBondContact NE-OG 2.8Å; R42-S49 VanDerWaalsContact NE-OG 3.1Å
50L95.8Very high96.2Very high11 Ų1166.2 Ų66.26%0.05835%0.348CS..EExtended strand (participates in β ladder)trans-113.3158.4-178-62-178000111.2F23 R42 V43 Q45 Y46 M48 I129F23-L50 HydrophobicContact CB-CD1 4Å; F23-L50 HydrophobicContact CD1-CB 4.14Å; F23-L50 HydrophobicContact CD1-CD1 3.61Å; F23-L50 HydrophobicContact CE1-CD1 4.28Å; F23-L50 HydrophobicContact CG-CD1 3.86Å; R42-L50 CarbonylContact C-O 3.58Å; R42-L50 WeakPolarHBondContact CA-O 3.14Å; V43-L50 HydrophobicContact CG2-CB 4.39Å; V43-L50 PolarHBondContact N-O 2.83Å; V43-L50 PolarHBondContact O-N 2.85Å; Q45-L50 HydrophobicContact CB-CD1 4.22Å; Y46-L50 HydrophobicContact CD2-CD1 4.26Å; M48-L50 HydrophobicContact CB-CD2 4.22Å; M48-L50 HydrophobicContact CB-CG 4.26Å; M48-L50 HydrophobicContact CE-CD1 4.4Å; M48-L50 HydrophobicContact CE-CD2 4.09Å; L50-I129 HydrophobicContact CD1-CD1 4.12Å; L50-I129 HydrophobicContact CD2-CG2 3.62Å
51Q94.6Very high96.2Very high33 Ų3369.9 Ų69.915%0.15436%0.362CS..EExtended strand (participates in β ladder)trans-99.2135.1176.6-57.6-64.613.100109.7N26 Y30 F40 S41N26-Q51 WeakPolarHBondContact CB-O 3.39Å; Y30-Q51 HydrophobicContact CD1-CB 4.38Å; Y30-Q51 HydrophobicContact CD1-CG 3.76Å; Y30-Q51 HydrophobicContact CD2-CB 4.24Å; Y30-Q51 HydrophobicContact CD2-CG 4Å; Y30-Q51 HydrophobicContact CE1-CG 3.83Å; Y30-Q51 HydrophobicContact CE2-CG 4.06Å; Y30-Q51 HydrophobicContact CG-CB 4.04Å; Y30-Q51 HydrophobicContact CG-CG 3.84Å; F40-Q51 HydrophobicContact CB-CB 4.19Å; F40-Q51 HydrophobicContact CD1-CB 4.1Å; F40-Q51 HydrophobicContact CG-CB 4.45Å; S41-Q51 WeakPolarHBondContact O-CA 3.49Å; S41-Q51 PolarHBondContact O-OE1 2.79Å
52L97.3Very high96.2Very high41 Ų4167.9 Ų67.922%0.21535%0.347CS..EExtended strand (participates in β ladder)trans-128.9136.9170.5-74.7-176.3000109.5F23 N26 F40 S41 V43F23-L52 HydrophobicContact CD1-CD2 3.74Å; F23-L52 HydrophobicContact CD1-CG 4.2Å; F23-L52 HydrophobicContact CE1-CD1 3.75Å; F23-L52 HydrophobicContact CE1-CD2 3.78Å; F23-L52 HydrophobicContact CE1-CG 3.84Å; F23-L52 HydrophobicContact CZ-CD1 4.31Å; N26-L52 HydrophobicContact CB-CD2 3.99Å; F40-L52 CarbonylContact C-O 3.55Å; F40-L52 WeakPolarHBondContact CA-O 3.46Å; S41-L52 PolarHBondContact N-O 2.82Å; S41-L52 PolarHBondContact O-N 2.95Å; S41-L52 PolarHBondContact OG-O 2.85Å; V43-L52 HydrophobicContact CB-CD1 4.44Å; V43-L52 HydrophobicContact CG1-CD1 4.06Å; V43-L52 HydrophobicContact CG2-CB 4.46Å; V43-L52 HydrophobicContact CG2-CD1 3.65Å; V43-L52 HydrophobicContact CG2-CG 3.72Å
53T98.1Very high96.2Very high10 Ų1063 Ų636%0.06134%0.338CS..EExtended strand (participates in β ladder)trans-60.7140.6178.8-172.60000112.3N26 T39 D55 L58 K59 L62N26-T53 WeakPolarHBondContact OD1-CG2 3.45Å; N26-T53 PolarHBondContact OD1-N 2.97Å; T39-T53 CarbonylContact O-C 3.58Å; T39-T53 VanDerWaalsContact O-CA 3.32Å; T39-T53 WeakPolarHBondContact O-CA 3.45Å; T39-T53 PolarHBondContact O-OG1 3.49Å; T53-D55 PolarHBondContact OG1-N 2.87Å; T53-D55 VanDerWaalsContact OG1-N 3.12Å; T53-L58 HydrophobicContact CG2-CB 4.28Å; T53-L58 HydrophobicContact CG2-CD2 3.92Å; T53-L58 HydrophobicContact CG2-CG 3.95Å; T53-K59 HydrophobicContact CG2-CB 4.1Å; T53-L62 HydrophobicContact CG2-CD1 4.4Å
54T98.1Very high96.2Very high71 Ų7164.8 Ų64.844%0.43635%0.346SS..  trans-101.8-7.8169.357.40000112T39 S41 T56T39-T54 VanDerWaalsContact C-OG1 3.23Å; T39-T54 PolarHBondContact O-N 2.87Å; T39-T54 PolarHBondContact O-OG1 2.84Å; T39-T54 VanDerWaalsContact O-OG1 3.07Å; S41-T54 WeakPolarHBondContact OG-CG2 3.37Å; T54-T56 PolarHBondContact O-N 2.81Å
55D98.2Very high96.2Very high54 Ų5459.7 Ų59.729%0.28932%0.315SS..  trans-66.8121.5174.2178-96000110.3T53 K57 L58 K59T53-D55 PolarHBondContact OG1-N 2.87Å; T53-D55 VanDerWaalsContact OG1-N 3.12Å; D55-K57 VanDerWaalsContact C-N 3.3Å; D55-K57 PolarHBondContact O-N 3.33Å; D55-K57 WeakPolarHBondContact OD1-CA 3.21Å; D55-K57 WeakPolarHBondContact OD1-CB 3.11Å; D55-K57 PolarHBondContact OD1-N 2.77Å; D55-L58 HydrophobicContact CB-CB 4.17Å; D55-L58 PolarHBondContact O-N 3.16Å; D55-L58 WeakPolarHBondContact OD1-CB 3.16Å; D55-L58 PolarHBondContact OD1-N 3.5Å; D55-K59 WeakPolarHBondContact O-CB 3.39Å; D55-K59 PolarHBondContact O-N 2.93Å
56T97.9Very high96.3Very high113 Ų11358.4 Ų58.469%0.69331%0.31SS*.Hα-helixtrans-64-35.3-173.3-54.10000112.4T54 S60T54-T56 PolarHBondContact O-N 2.81Å; T56-S60 VanDerWaalsContact O-CB 3.32Å; T56-S60 WeakPolarHBondContact O-CB 3.25Å; T56-S60 PolarHBondContact O-N 3.22Å
57K97.9Very high96.5Very high179 Ų17960.6 Ų60.678%0.77833%0.327SS*.Hα-helixtrans-72.2-49.9-178.2-67.3-179179.2178.20110.3D55 K59 S60 Y61D55-K57 VanDerWaalsContact C-N 3.3Å; D55-K57 PolarHBondContact O-N 3.33Å; D55-K57 WeakPolarHBondContact OD1-CA 3.21Å; D55-K57 WeakPolarHBondContact OD1-CB 3.11Å; D55-K57 PolarHBondContact OD1-N 2.77Å; K57-K59 VanDerWaalsContact C-N 3.35Å; K57-K59 PolarHBondContact O-N 2.88Å; K57-S60 PolarHBondContact O-N 3.27Å; K57-Y61 WeakPolarHBondContact O-CB 3.34Å; K57-Y61 PolarHBondContact O-N 2.99Å
58L97.6Very high96.7Very high4 Ų456 Ų562%0.02130%0.301CS..Hα-helixtrans-61.8-44.2176.5-177.962000110.8L29 Y35 T53 D55 S60 Y61 L62 F148L29-L58 HydrophobicContact CD1-CD1 4.09Å; L29-L58 HydrophobicContact CD1-CD2 3.94Å; Y35-L58 HydrophobicContact CD1-CD2 4.16Å; Y35-L58 HydrophobicContact CD2-CD2 3.75Å; Y35-L58 HydrophobicContact CE1-CB 4.34Å; Y35-L58 HydrophobicContact CE1-CD2 4.07Å; Y35-L58 HydrophobicContact CE2-CD1 4.02Å; Y35-L58 HydrophobicContact CE2-CD2 3.66Å; Y35-L58 HydrophobicContact CE2-CG 4.37Å; Y35-L58 HydrophobicContact CG-CD2 4.01Å; T53-L58 HydrophobicContact CG2-CB 4.28Å; T53-L58 HydrophobicContact CG2-CD2 3.92Å; T53-L58 HydrophobicContact CG2-CG 3.95Å; D55-L58 HydrophobicContact CB-CB 4.17Å; D55-L58 PolarHBondContact O-N 3.16Å; D55-L58 WeakPolarHBondContact OD1-CB 3.16Å; D55-L58 PolarHBondContact OD1-N 3.5Å; L58-S60 VanDerWaalsContact C-N 3.33Å; L58-S60 PolarHBondContact O-N 3.11Å; L58-Y61 HydrophobicContact CD1-CD1 4.41Å; L58-Y61 PolarHBondContact O-N 3.02Å; L58-L62 HydrophobicContact CD1-CD1 4.06Å; L58-L62 HydrophobicContact CD1-CD2 4.37Å; L58-L62 HydrophobicContact CD1-CG 3.94Å; L58-L62 HydrophobicContact CG-CD1 3.98Å; L58-L62 HydrophobicContact CG-CG 4.23Å; L58-L62 WeakPolarHBondContact O-CB 3.36Å; L58-L62 WeakPolarHBondContact O-CG 3.49Å; L58-L62 PolarHBondContact O-N 3.01Å; L58-F148 HydrophobicContact CD1-CE1 3.96Å; L58-F148 HydrophobicContact CD1-CZ 3.61Å
59K97.5Very high96.9Very high124 Ų12454.8 Ų54.854%0.53930%0.295SS..Hα-helixtrans-57.9-45.8175.8-174.7174.3-179.7176.60111.8T53 D55 K57 T63T53-K59 HydrophobicContact CG2-CB 4.1Å; D55-K59 WeakPolarHBondContact O-CB 3.39Å; D55-K59 PolarHBondContact O-N 2.93Å; K57-K59 VanDerWaalsContact C-N 3.35Å; K57-K59 PolarHBondContact O-N 2.88Å; K59-T63 VanDerWaalsContact O-CB 3.31Å; K59-T63 WeakPolarHBondContact O-CB 3.42Å; K59-T63 PolarHBondContact O-N 3.34Å; K59-T63 PolarHBondContact O-OG1 2.89Å
60S97.8Very high97.1Very high62 Ų6255.7 Ų55.743%0.43429%0.291SS..Hα-helixtrans-64.3-44.3177.6-178.50000111.7T56 K57 L58 T63 N64T56-S60 VanDerWaalsContact O-CB 3.32Å; T56-S60 WeakPolarHBondContact O-CB 3.25Å; T56-S60 PolarHBondContact O-N 3.22Å; K57-S60 PolarHBondContact O-N 3.27Å; L58-S60 VanDerWaalsContact C-N 3.33Å; L58-S60 PolarHBondContact O-N 3.11Å; S60-T63 PolarHBondContact O-N 3.42Å; S60-N64 VanDerWaalsContact O-CG 3.28Å; S60-N64 PolarHBondContact O-N 3.02Å; S60-N64 PolarHBondContact O-ND2 3.38Å
61Y97.9Very high97.1Very high96 Ų9659.9 Ų59.938%0.37631%0.31SS..Hα-helixtrans-58.5-54.1176.7174.1-101.6000111.8K57 L58 T63 N64 V65 F148 L150K57-Y61 WeakPolarHBondContact O-CB 3.34Å; K57-Y61 PolarHBondContact O-N 2.99Å; L58-Y61 HydrophobicContact CD1-CD1 4.41Å; L58-Y61 PolarHBondContact O-N 3.02Å; Y61-T63 VanDerWaalsContact C-N 3.29Å; Y61-T63 PolarHBondContact O-N 3.37Å; Y61-N64 PolarHBondContact O-N 2.89Å; Y61-N64 VanDerWaalsContact O-N 3.14Å; Y61-V65 HydrophobicContact CE1-CG2 4.12Å; Y61-V65 HydrophobicContact CE2-CG2 4.15Å; Y61-V65 WeakPolarHBondContact O-CG2 3.34Å; Y61-V65 PolarHBondContact O-N 3.36Å; Y61-F148 HydrophobicContact CD1-CZ 4.2Å; Y61-F148 AromaticContact CE1-CE2 3.94Å; Y61-F148 HydrophobicContact CE1-CE2 3.94Å; Y61-F148 AromaticContact CE1-CZ 3.89Å; Y61-F148 HydrophobicContact CE1-CZ 3.89Å; Y61-L150 HydrophobicContact CE1-CD1 3.87Å
62L97.6Very high97.2Very high6 Ų659.1 Ų59.13%0.03131%0.306CS..Hα-helixtrans-62.2-35.9179.1-65.8-178.5000112.2I25 L29 T53 L58 V65 V66 L150I25-L62 HydrophobicContact CG2-CD1 4.3Å; I25-L62 HydrophobicContact CG2-CD2 3.7Å; L29-L62 HydrophobicContact CD1-CD1 4.39Å; T53-L62 HydrophobicContact CG2-CD1 4.4Å; L58-L62 HydrophobicContact CD1-CD1 4.06Å; L58-L62 HydrophobicContact CD1-CD2 4.37Å; L58-L62 HydrophobicContact CD1-CG 3.94Å; L58-L62 HydrophobicContact CG-CD1 3.98Å; L58-L62 HydrophobicContact CG-CG 4.23Å; L58-L62 WeakPolarHBondContact O-CB 3.36Å; L58-L62 WeakPolarHBondContact O-CG 3.49Å; L58-L62 PolarHBondContact O-N 3.01Å; L62-V65 PolarHBondContact O-N 3.25Å; L62-V66 WeakPolarHBondContact O-CB 3.44Å; L62-V66 VanDerWaalsContact O-CG2 3.23Å; L62-V66 WeakPolarHBondContact O-CG2 3.46Å; L62-V66 PolarHBondContact O-N 2.95Å; L62-L150 HydrophobicContact CD2-CD1 3.83Å
63T96.6Very high97.2Very high83 Ų8357.2 Ų57.251%0.50930%0.296SS..Hα-helixtrans-62.8-43.8175.5-58.90000111.4K59 S60 Y61 S67K59-T63 VanDerWaalsContact O-CB 3.31Å; K59-T63 WeakPolarHBondContact O-CB 3.42Å; K59-T63 PolarHBondContact O-N 3.34Å; K59-T63 PolarHBondContact O-OG1 2.89Å; S60-T63 PolarHBondContact O-N 3.42Å; Y61-T63 VanDerWaalsContact C-N 3.29Å; Y61-T63 PolarHBondContact O-N 3.37Å; T63-S67 VanDerWaalsContact O-CB 3.25Å; T63-S67 WeakPolarHBondContact O-CB 3.13Å; T63-S67 PolarHBondContact O-N 3.19Å
64N96.3Very high97.1Very high81 Ų8161.2 Ų61.243%0.43331%0.313SS..Hα-helixtrans-63.9-45.7177.2-66.8-25.8000111.2S60 Y61 S67 Q68S60-N64 VanDerWaalsContact O-CG 3.28Å; S60-N64 PolarHBondContact O-N 3.02Å; S60-N64 PolarHBondContact O-ND2 3.38Å; Y61-N64 PolarHBondContact O-N 2.89Å; Y61-N64 VanDerWaalsContact O-N 3.14Å; N64-S67 PolarHBondContact O-N 3.44Å; N64-Q68 PolarHBondContact O-N 3.14Å; N64-Q68 VanDerWaalsContact O-N 3.07Å
65V96.1Very high97Very high7 Ų761.1 Ų61.14%0.04231%0.31CS..Hα-helixtrans-59.9-51.6177.91700000111.2Y61 L62 S67 Q68 L69 L150 W164Y61-V65 HydrophobicContact CE1-CG2 4.12Å; Y61-V65 HydrophobicContact CE2-CG2 4.15Å; Y61-V65 WeakPolarHBondContact O-CG2 3.34Å; Y61-V65 PolarHBondContact O-N 3.36Å; L62-V65 PolarHBondContact O-N 3.25Å; V65-S67 VanDerWaalsContact C-N 3.32Å; V65-S67 PolarHBondContact O-N 3.41Å; V65-Q68 PolarHBondContact O-N 3.4Å; V65-L69 VanDerWaalsContact O-CB 3.27Å; V65-L69 WeakPolarHBondContact O-CB 3.45Å; V65-L69 PolarHBondContact O-N 3.49Å; V65-L150 HydrophobicContact CG1-CD1 4.1Å; V65-L150 HydrophobicContact CG2-CD1 4.47Å; V65-W164 HydrophobicContact CG1-CH2 4.15Å; V65-W164 HydrophobicContact CG2-CH2 4.32Å; V65-W164 HydrophobicContact CG2-CZ2 4.4Å
66V96.4Very high96.8Very high23 Ų2358.9 Ų58.914%0.13930%0.298CS..Hα-helixtrans-67.1-34-178.1173.70000111.6A18 L62 K70A18-V66 HydrophobicContact CB-CG1 3.93Å; A18-V66 WeakPolarHBondContact O-CG1 3.29Å; L62-V66 WeakPolarHBondContact O-CB 3.44Å; L62-V66 VanDerWaalsContact O-CG2 3.23Å; L62-V66 WeakPolarHBondContact O-CG2 3.46Å; L62-V66 PolarHBondContact O-N 2.95Å; V66-K70 WeakPolarHBondContact O-CB 3.21Å; V66-K70 PolarHBondContact O-N 3.24Å
67S96.1Very high96.8Very high54 Ų5454.4 Ų54.438%0.37827%0.271SS..Hα-helixtrans-63.1-48.5174.9-169.20000111.4T63 N64 V65 K70 E71T63-S67 VanDerWaalsContact O-CB 3.25Å; T63-S67 WeakPolarHBondContact O-CB 3.13Å; T63-S67 PolarHBondContact O-N 3.19Å; N64-S67 PolarHBondContact O-N 3.44Å; V65-S67 VanDerWaalsContact C-N 3.32Å; V65-S67 PolarHBondContact O-N 3.41Å; S67-K70 WeakPolarHBondContact O-CB 3.32Å; S67-K70 PolarHBondContact O-N 3.42Å; S67-E71 PolarHBondContact O-N 2.83Å
68Q96.6Very high96.7Very high34 Ų3446.3 Ų46.316%0.15924%0.236CC..Hα-helixtrans-65.8-41.7177.6-170.263.563.600111.6N64 V65 K70 E71 W72 W164N64-Q68 PolarHBondContact O-N 3.14Å; N64-Q68 VanDerWaalsContact O-N 3.07Å; V65-Q68 PolarHBondContact O-N 3.4Å; Q68-K70 VanDerWaalsContact C-N 3.25Å; Q68-K70 PolarHBondContact O-N 3.18Å; Q68-E71 PolarHBondContact NE2-OE2 3.4Å; Q68-E71 WeakPolarHBondContact O-CB 3.43Å; Q68-E71 PolarHBondContact O-N 2.95Å; Q68-E71 VanDerWaalsContact O-N 3.08Å; Q68-W72 HydrophobicContact CG-CD2 3.88Å; Q68-W72 VanDerWaalsContact CG-CE2 3.49Å; Q68-W72 HydrophobicContact CG-CE3 4.09Å; Q68-W72 HydrophobicContact CG-CH2 3.67Å; Q68-W72 HydrophobicContact CG-CZ2 3.4Å; Q68-W72 VanDerWaalsContact CG-CZ2 3.4Å; Q68-W72 HydrophobicContact CG-CZ3 3.98Å; Q68-W72 PolarHBondContact O-N 3.22Å; Q68-W164 HydrophobicContact CB-CZ2 3.75Å; Q68-W164 HydrophobicContact CG-CZ2 3.91Å
69L96.8Very high96.7Very high0 Ų050.5 Ų50.50%026%0.256CS..Hα-helixtrans-58.5-39.7177.5-175.567.9000111.5F21 V65 E71 W72 L73 V78 L81 V152F21-L69 HydrophobicContact CB-CD2 3.97Å; F21-L69 HydrophobicContact CD2-CD2 3.4Å; F21-L69 HydrophobicContact CE2-CD2 4.05Å; F21-L69 HydrophobicContact CG-CD2 3.78Å; V65-L69 VanDerWaalsContact O-CB 3.27Å; V65-L69 WeakPolarHBondContact O-CB 3.45Å; V65-L69 PolarHBondContact O-N 3.49Å; L69-E71 VanDerWaalsContact C-N 3.32Å; L69-E71 PolarHBondContact O-N 2.89Å; L69-W72 PolarHBondContact O-N 3.2Å; L69-L73 HydrophobicContact CD2-CD1 4.41Å; L69-L73 HydrophobicContact CG-CD1 3.89Å; L69-L73 HydrophobicContact CG-CG 4.27Å; L69-L73 VanDerWaalsContact O-CB 3.3Å; L69-L73 WeakPolarHBondContact O-CB 3.45Å; L69-L73 WeakPolarHBondContact O-CD1 3.4Å; L69-L73 WeakPolarHBondContact O-CG 3.03Å; L69-L73 PolarHBondContact O-N 2.03Å; L69-V78 HydrophobicContact CD1-CG1 4.05Å; L69-V78 HydrophobicContact CD1-CG2 3.9Å; L69-L81 HydrophobicContact CD1-CD1 4.29Å; L69-L81 HydrophobicContact CD2-CD1 3.59Å; L69-V152 HydrophobicContact CD1-CG1 4.08Å; L69-V152 HydrophobicContact CD1-CG2 4.48Å
70K97.3Very high96.7Very high84 Ų8446.9 Ų46.937%0.36524%0.24SC..Hα-helixtrans-61.7-38.7176.4-175.2-177.964.3-176.40112.3A14 E15 A18 V66 S67 Q68 F74A14-K70 HydrophobicContact CB-CG 4.48Å; E15-K70 HydrophobicContact CG-CD 4.07Å; A18-K70 HydrophobicContact CB-CB 3.86Å; A18-K70 HydrophobicContact CB-CG 4.23Å; V66-K70 WeakPolarHBondContact O-CB 3.21Å; V66-K70 PolarHBondContact O-N 3.24Å; S67-K70 WeakPolarHBondContact O-CB 3.32Å; S67-K70 PolarHBondContact O-N 3.42Å; Q68-K70 VanDerWaalsContact C-N 3.25Å; Q68-K70 PolarHBondContact O-N 3.18Å; K70-F74 WeakPolarHBondContact O-CB 3.32Å; K70-F74 PolarHBondContact O-N 2.84Å
71E96.4Very high96.7Very high98 Ų9844 Ų4446%0.45822%0.219SC..Hα-helixtrans-65.1-49.6175.4-66174.2-172.600110.5S67 Q68 L69 L73 F74 D75S67-E71 PolarHBondContact O-N 2.83Å; Q68-E71 PolarHBondContact NE2-OE2 3.4Å; Q68-E71 WeakPolarHBondContact O-CB 3.43Å; Q68-E71 PolarHBondContact O-N 2.95Å; Q68-E71 VanDerWaalsContact O-N 3.08Å; L69-E71 VanDerWaalsContact C-N 3.32Å; L69-E71 PolarHBondContact O-N 2.89Å; E71-L73 VanDerWaalsContact C-N 3.31Å; E71-L73 PolarHBondContact O-N 3.17Å; E71-F74 WeakPolarHBondContact O-CB 3.5Å; E71-F74 PolarHBondContact O-N 3.01Å; E71-F74 VanDerWaalsContact O-N 3.09Å; E71-D75 PolarHBondContact O-N 2.93Å
72W97.1Very high96.7Very high17 Ų1739.4 Ų39.46%0.06420%0.201CC..Hα-helixtrans-65.9-31.7178.7-61.1-26.4000113.6Q68 L69 D75 C76 T77 V78 V152 T154 L158 P161 W164Q68-W72 HydrophobicContact CG-CD2 3.88Å; Q68-W72 VanDerWaalsContact CG-CE2 3.49Å; Q68-W72 HydrophobicContact CG-CE3 4.09Å; Q68-W72 HydrophobicContact CG-CH2 3.67Å; Q68-W72 HydrophobicContact CG-CZ2 3.4Å; Q68-W72 VanDerWaalsContact CG-CZ2 3.4Å; Q68-W72 HydrophobicContact CG-CZ3 3.98Å; Q68-W72 PolarHBondContact O-N 3.22Å; L69-W72 PolarHBondContact O-N 3.2Å; W72-D75 CarbonylContact O-C 3.4Å; W72-D75 PolarHBondContact O-N 2.83Å; W72-C76 PolarHBondContact O-N 2.83Å; W72-T77 WeakPolarHBondContact CB-OG1 3.47Å; W72-T77 PolarHBondContact O-N 3.26Å; W72-T77 PolarHBondContact O-OG1 2.76Å; W72-V78 HydrophobicContact CB-CG2 3.23Å; W72-V78 HydrophobicContact CE3-CG2 4.44Å; W72-V78 HydrophobicContact CG-CG2 4.35Å; W72-V152 HydrophobicContact CE3-CB 4.47Å; W72-V152 HydrophobicContact CE3-CG1 3.81Å; W72-V152 HydrophobicContact CZ3-CB 3.88Å; W72-V152 HydrophobicContact CZ3-CG1 3.73Å; W72-V152 HydrophobicContact CZ3-CG2 4.2Å; W72-T154 HydrophobicContact CD2-CG2 4.3Å; W72-T154 HydrophobicContact CE3-CG2 4.12Å; W72-T154 HydrophobicContact CZ3-CG2 4.36Å; W72-L158 HydrophobicContact CD2-CD2 4.31Å; W72-L158 HydrophobicContact CG-CD2 4.3Å; W72-L158 HydrophobicContact CZ2-CD2 4.35Å; W72-P161 HydrophobicContact CZ2-CG 3.87Å; W72-W164 AromaticContact CH2-CD2 3.66Å; W72-W164 HydrophobicContact CH2-CD2 3.66Å; W72-W164 AromaticContact CH2-CE2 3.73Å; W72-W164 AromaticContact CH2-CE3 3.73Å; W72-W164 HydrophobicContact CH2-CE3 3.73Å; W72-W164 HydrophobicContact CH2-CG 4.29Å; W72-W164 AromaticContact CH2-CH2 3.93Å; W72-W164 HydrophobicContact CH2-CH2 3.93Å; W72-W164 AromaticContact CH2-CZ2 3.88Å; W72-W164 HydrophobicContact CH2-CZ2 3.88Å; W72-W164 AromaticContact CH2-CZ3 3.87Å; W72-W164 HydrophobicContact CH2-CZ3 3.87Å; W72-W164 HydrophobicContact CZ3-CD2 4.44Å; W72-W164 HydrophobicContact CZ3-CE3 4.23Å; W72-W164 AromaticContact CZ3-CH2 3.72Å; W72-W164 HydrophobicContact CZ3-CH2 3.72Å; W72-W164 AromaticContact CZ3-CZ2 3.97Å; W72-W164 HydrophobicContact CZ3-CZ2 3.97Å; W72-W164 AromaticContact CZ3-CZ3 3.87Å; W72-W164 HydrophobicContact CZ3-CZ3 3.87Å
73L97.3Very high96.8Very high1 Ų139.1 Ų39.11%0.00520%0.2CC..Hα-helixtrans-66.5-42.2171.3-76166.3000111A14 V17 A18 L69 E71 D75 C76 V78 I101 H188A14-L73 HydrophobicContact CB-CB 3.85Å; V17-L73 HydrophobicContact CB-CD1 4Å; V17-L73 HydrophobicContact CG1-CD1 3.67Å; V17-L73 HydrophobicContact CG1-CD2 3.89Å; V17-L73 HydrophobicContact CG1-CG 4.46Å; A18-L73 HydrophobicContact CB-CD1 4.25Å; L69-L73 HydrophobicContact CD2-CD1 4.41Å; L69-L73 HydrophobicContact CG-CD1 3.89Å; L69-L73 HydrophobicContact CG-CG 4.27Å; L69-L73 VanDerWaalsContact O-CB 3.3Å; L69-L73 WeakPolarHBondContact O-CB 3.45Å; L69-L73 WeakPolarHBondContact O-CD1 3.4Å; L69-L73 WeakPolarHBondContact O-CG 3.03Å; L69-L73 PolarHBondContact O-N 2.03Å; E71-L73 VanDerWaalsContact C-N 3.31Å; E71-L73 PolarHBondContact O-N 3.17Å; L73-D75 PolarHBondContact O-N 3.33Å; L73-C76 PolarHBondContact O-N 2.94Å; L73-C76 VanDerWaalsContact O-N 3.1Å; L73-V78 HydrophobicContact CD2-CB 4.49Å; L73-V78 HydrophobicContact CD2-CG2 4.49Å; L73-V78 HydrophobicContact CG-CG2 4.34Å; L73-I101 HydrophobicContact CD2-CD1 4.28Å; L73-I101 HydrophobicContact CD2-CG2 3.89Å; L73-H188 PolarHBondContact O-CE1 2.84Å; L73-H188 VanDerWaalsContact O-CE1 3.25Å; L73-H188 PolarHBondContact O-NE2 2.97Å
74F96.2Very high96.9Very high95 Ų9535.1 Ų35.142%0.41718%0.176SC..Hα-helixtrans-61.5-38173.4-178.8-98.8000111.3L10 K11 A14 K70 E71 C76L10-F74 HydrophobicContact CD2-CD2 4.29Å; L10-F74 HydrophobicContact CD2-CE2 4.18Å; L10-F74 WeakPolarHBondContact CD2-O 3.18Å; L10-F74 HydrophobicContact CG-CD2 3.98Å; L10-F74 HydrophobicContact CG-CE2 4.14Å; K11-F74 HydrophobicContact CB-CD2 4.23Å; K11-F74 HydrophobicContact CB-CE2 4.08Å; A14-F74 HydrophobicContact CB-CB 4.21Å; K70-F74 WeakPolarHBondContact O-CB 3.32Å; K70-F74 PolarHBondContact O-N 2.84Å; E71-F74 WeakPolarHBondContact O-CB 3.5Å; E71-F74 PolarHBondContact O-N 3.01Å; E71-F74 VanDerWaalsContact O-N 3.09Å; F74-C76 VanDerWaalsContact C-N 3.27Å; F74-C76 PolarHBondContact O-N 2.92Å
75D95Very high96.9Very high69 Ų6931.3 Ų31.337%0.36916%0.155SC..THydrogen-bonded Turntrans-80.9-2.4175.7-68.8-34000114.1E71 W72 L73 T77 K108E71-D75 PolarHBondContact O-N 2.93Å; W72-D75 CarbonylContact O-C 3.4Å; W72-D75 PolarHBondContact O-N 2.83Å; L73-D75 PolarHBondContact O-N 3.33Å; D75-T77 HydrophobicContact CB-CG2 3.95Å; D75-T77 PolarHBondContact O-N 3.43Å; D75-K108 VanDerWaalsContact C-CE 3.42Å; D75-K108 VanDerWaalsContact C-NZ 3.26Å; D75-K108 WeakPolarHBondContact O-CE 3.33Å; D75-K108 PolarHBondContact O-NZ 2.98Å
76C95.5Very high97Very high7 Ų731.4 Ų31.45%0.04716%0.155CC..THydrogen-bonded Turntrans49.338.4-177.9-65.70000113.5W72 L73 F74 C103 K105W72-C76 PolarHBondContact O-N 2.83Å; L73-C76 PolarHBondContact O-N 2.94Å; L73-C76 VanDerWaalsContact O-N 3.1Å; F74-C76 VanDerWaalsContact C-N 3.27Å; F74-C76 PolarHBondContact O-N 2.92Å; C76-C103 HydrophobicContact CB-CB 3.54Å; C76-C103 WeakPolarHBondContact CB-SG 3.46Å; C76-C103 WeakPolarHBondContact SG-CB 3.5Å; C76-C103 CovalentContact SG-SG 2.03Å; C76-C103 PolarHBondContact SG-SG 3.06Å; C76-K105 HydrophobicContact CB-CG 4.28Å
77T96Very high96.9Very high19 Ų1930.5 Ų30.512%0.11715%0.15CC..  trans-101.3-11.6178.454.10000112.3W72 D75 T154 D155 L158W72-T77 WeakPolarHBondContact CB-OG1 3.47Å; W72-T77 PolarHBondContact O-N 3.26Å; W72-T77 PolarHBondContact O-OG1 2.76Å; D75-T77 HydrophobicContact CB-CG2 3.95Å; D75-T77 PolarHBondContact O-N 3.43Å; T77-T154 CarbonylContact O-C 3.41Å; T77-T154 WeakPolarHBondContact O-CA 3.21Å; T77-T154 WeakPolarHBondContact O-CB 3.42Å; T77-D155 PolarHBondContact O-N 2.89Å; T77-L158 HydrophobicContact CG2-CD1 4.14Å
78V97Very high96.9Very high8 Ų833.3 Ų33.35%0.04816%0.161CC..EExtended strand (participates in β ladder)trans-81.7128.1175.6-168.30000110.5L69 W72 L73 I101 V152L69-V78 HydrophobicContact CD1-CG1 4.05Å; L69-V78 HydrophobicContact CD1-CG2 3.9Å; W72-V78 HydrophobicContact CB-CG2 3.23Å; W72-V78 HydrophobicContact CE3-CG2 4.44Å; W72-V78 HydrophobicContact CG-CG2 4.35Å; L73-V78 HydrophobicContact CD2-CB 4.49Å; L73-V78 HydrophobicContact CD2-CG2 4.49Å; L73-V78 HydrophobicContact CG-CG2 4.34Å; V78-I101 HydrophobicContact CB-CD1 4.26Å; V78-I101 HydrophobicContact CG1-CD1 3.5Å; V78-I101 VanDerWaalsContact CG1-CD1 3.5Å; V78-V152 HydrophobicContact CG1-CG1 3.75Å; V78-V152 HydrophobicContact CG2-CG1 4.45Å
79Q97.2Very high96.7Very high93 Ų9338.8 Ų38.844%0.43519%0.186SC..EExtended strand (participates in β ladder)trans-98.9-40.1175-59.6179.114.300111.8I101 Y153 T154 D155Q79-I101 PolarHBondContact O-N 2.74Å; Q79-Y153 PolarHBondContact N-O 3.24Å; Q79-T154 PolarHBondContact NE2-O 2.91Å; Q79-D155 PolarHBondContact NE2-OD1 3.26Å
80K97.3Very high96.5Very high48 Ų4843 Ų4321%0.20921%0.212CC..EExtended strand (participates in β ladder)trans-160.6154.3173.956.7-178.6165.5-169.20112.6V82 Q98 F99 D100 Y153K80-V82 HydrophobicContact CD-CG2 4.31Å; K80-V82 HydrophobicContact CG-CG2 4.46Å; K80-Q98 HydrophobicContact CD-CG 4.09Å; K80-F99 CarbonylContact C-O 3.54Å; K80-F99 WeakPolarHBondContact CA-O 3.46Å; K80-F99 VanDerWaalsContact CB-O 3.25Å; K80-F99 WeakPolarHBondContact CB-O 3.27Å; K80-D100 WeakPolarHBondContact CB-OD1 3.15Å; K80-D100 WeakPolarHBondContact CD-OD1 3.39Å; K80-Y153 HydrophobicContact CD-CD2 4.1Å; K80-Y153 HydrophobicContact CD-CG 4.12Å; K80-Y153 VanDerWaalsContact CE-CD1 3.49Å; K80-Y153 HydrophobicContact CG-CD1 4.39Å; K80-Y153 HydrophobicContact CG-CD2 3.59Å; K80-Y153 HydrophobicContact CG-CE2 4.47Å; K80-Y153 HydrophobicContact CG-CG 3.57Å; K80-Y153 PolarHBondContact N-O 3.16Å; K80-Y153 PolarHBondContact O-N 2.69Å
81L98.4Very high96.3Very high0 Ų045.3 Ų45.30%023%0.228CC..EExtended strand (participates in β ladder)trans-109.9139166.8-178.2149.7000108.8F21 I25 L69 F99 L150 L151 V152F21-L81 HydrophobicContact CD1-CB 4.48Å; F21-L81 HydrophobicContact CD1-CD1 3.89Å; F21-L81 HydrophobicContact CD1-CD2 3.99Å; F21-L81 HydrophobicContact CD1-CG 4.36Å; F21-L81 HydrophobicContact CE1-CB 3.89Å; F21-L81 HydrophobicContact CE1-CD1 4.14Å; F21-L81 HydrophobicContact CE1-CD2 3.96Å; F21-L81 HydrophobicContact CE1-CG 4.22Å; F21-L81 HydrophobicContact CG-CD1 4.14Å; F21-L81 HydrophobicContact CZ-CB 4.05Å; I25-L81 HydrophobicContact CD1-CD1 4.43Å; I25-L81 HydrophobicContact CD1-CD2 4.46Å; L69-L81 HydrophobicContact CD1-CD1 4.29Å; L69-L81 HydrophobicContact CD2-CD1 3.59Å; L81-F99 HydrophobicContact CD2-CD2 3.85Å; L81-F99 HydrophobicContact CD2-CE2 4.35Å; L81-F99 PolarHBondContact N-O 3.4Å; L81-F99 PolarHBondContact O-N 2.66Å; L81-L150 HydrophobicContact CD2-CD2 4.39Å; L81-L151 CarbonylContact C-O 3.5Å; L81-L151 WeakPolarHBondContact CA-O 3.19Å; L81-V152 HydrophobicContact CD1-CG2 4.4Å
82V98.4Very high96.1Very high0 Ų044.6 Ų44.60%023%0.225CC..EExtended strand (participates in β ladder)trans-130.7127.9178-1730000110.6K80 V84 R96 W97 Q98 L150 L151 Y153K80-V82 HydrophobicContact CD-CG2 4.31Å; K80-V82 HydrophobicContact CG-CG2 4.46Å; V82-V84 HydrophobicContact CG1-CG2 3.99Å; V82-R96 HydrophobicContact CG1-CG 3.35Å; V82-W97 CarbonylContact C-O 3.47Å; V82-W97 VanDerWaalsContact CA-O 3.3Å; V82-W97 WeakPolarHBondContact CA-O 3.44Å; V82-Q98 HydrophobicContact CG2-CB 4.28Å; V82-Q98 HydrophobicContact CG2-CG 4.13Å; V82-L150 WeakPolarHBondContact O-CA 3.31Å; V82-L151 HydrophobicContact CB-CB 4.26Å; V82-L151 PolarHBondContact N-O 3.24Å; V82-L151 PolarHBondContact O-N 3.32Å; V82-Y153 HydrophobicContact CG2-CD2 4.13Å; V82-Y153 HydrophobicContact CG2-CE2 3.79Å
83L98.6Very high96.1Very high0 Ų044.4 Ų44.40%023%0.226CC..EExtended strand (participates in β ladder)trans-101.2116166.5-173.5165.5000108.5I25 I28 L29 I85 W97 F148 D149 L150I25-L83 HydrophobicContact CB-CD1 4.43Å; I25-L83 HydrophobicContact CG1-CD1 4.38Å; I25-L83 HydrophobicContact CG2-CD1 3.95Å; I28-L83 HydrophobicContact CB-CD1 4.12Å; I28-L83 HydrophobicContact CD1-CD1 4.29Å; I28-L83 HydrophobicContact CG2-CD1 3.96Å; I28-L83 HydrophobicContact CG2-CD2 3.97Å; L29-L83 HydrophobicContact CD2-CD1 4.29Å; L83-I85 HydrophobicContact CD2-CD1 4.09Å; L83-I85 HydrophobicContact CD2-CG1 3.55Å; L83-W97 HydrophobicContact CB-CB 4.19Å; L83-W97 PolarHBondContact N-O 3.04Å; L83-W97 PolarHBondContact O-N 3.07Å; L83-F148 HydrophobicContact CD2-CB 4.27Å; L83-F148 HydrophobicContact CG-CD2 4.41Å; L83-D149 WeakPolarHBondContact CA-O 3.46Å; L83-L150 HydrophobicContact CB-CD2 3.7Å; L83-L150 HydrophobicContact CD1-CD2 4.05Å; L83-L150 HydrophobicContact CG-CD2 3.82Å
84V98.4Very high96Very high0 Ų045.9 Ų45.90%023%0.233CC..EExtended strand (participates in β ladder)trans-98.1136179.3-174.30000108.1V82 V93 F148 D149 L151 Q170V82-V84 HydrophobicContact CG1-CG2 3.99Å; V84-V93 HydrophobicContact CG1-CB 4.48Å; V84-V93 HydrophobicContact CG1-CG1 3.49Å; V84-V93 VanDerWaalsContact CG1-CG1 3.49Å; V84-V93 HydrophobicContact CG1-CG2 4.21Å; V84-F148 CarbonylContact O-C 3.59Å; V84-F148 WeakPolarHBondContact O-CA 3.29Å; V84-F148 WeakPolarHBondContact O-CB 3.33Å; V84-D149 HydrophobicContact CB-CB 4.22Å; V84-D149 PolarHBondContact N-O 3.07Å; V84-D149 PolarHBondContact O-N 2.8Å; V84-L151 HydrophobicContact CG2-CD1 3.79Å; V84-L151 HydrophobicContact CG2-CG 4.1Å; V84-Q170 HydrophobicContact CG1-CB 3.97Å; V84-Q170 HydrophobicContact CG2-CB 3.86Å; V84-Q170 HydrophobicContact CG2-CG 4.37Å
85I98.1Very high96.1Very high0 Ų041.5 Ų41.50%021%0.214CC..EExtended strand (participates in β ladder)trans-115.4124.2172.6-60.3179.4000108I28 R32 I34 L83 L94 E95 L142 C146 A147I28-I85 HydrophobicContact CG2-CD1 4.18Å; R32-I85 HydrophobicContact CB-CD1 3.85Å; R32-I85 HydrophobicContact CG-CD1 3.65Å; I34-I85 HydrophobicContact CD1-CD1 4.22Å; I34-I85 HydrophobicContact CD1-CG1 4.37Å; I34-I85 HydrophobicContact CD1-CG2 3.79Å; L83-I85 HydrophobicContact CD2-CD1 4.09Å; L83-I85 HydrophobicContact CD2-CG1 3.55Å; I85-L94 PolarHBondContact O-N 2.91Å; I85-E95 HydrophobicContact CB-CB 4.07Å; I85-E95 HydrophobicContact CD1-CB 4.23Å; I85-E95 HydrophobicContact CG1-CB 4.39Å; I85-E95 PolarHBondContact N-O 3.08Å; I85-E95 PolarHBondContact O-N 2.98Å; I85-L142 HydrophobicContact CG2-CD1 4.14Å; I85-C146 HydrophobicContact CG2-CB 3.67Å; I85-A147 WeakPolarHBondContact CA-O 3.45Å
86T96.9Very high96.2Very high9 Ų938.8 Ų38.86%0.05520%0.199CC..EExtended strand (participates in β ladder)trans-123.9134.4-172.3-52.40000110.1L88 E92 C146 A147T86-L88 PolarHBondContact O-N 3.26Å; T86-E92 CarbonylContact C-O 3.55Å; T86-E92 VanDerWaalsContact CA-O 3.23Å; T86-E92 WeakPolarHBondContact CA-O 3.33Å; T86-E92 WeakPolarHBondContact CG2-O 3.21Å; T86-C146 CarbonylContact O-C 3.55Å; T86-C146 WeakPolarHBondContact O-CA 3.44Å; T86-C146 WeakPolarHBondContact O-CB 3.47Å; T86-A147 PolarHBondContact N-O 3.42Å; T86-A147 PolarHBondContact O-N 3.36Å
87C95.5Very high96.4Very high5 Ų538.5 Ų38.53%0.03420%0.197CC..EExtended strand (participates in β ladder)trans-66.6125.2171.8-176.50000110E89 T90 N91 E92 L94 T144C87-E89 VanDerWaalsContact C-N 3.27Å; C87-E89 PolarHBondContact O-N 2.65Å; C87-T90 WeakPolarHBondContact CB-OG1 3.47Å; C87-N91 WeakPolarHBondContact O-CA 3.33Å; C87-N91 PolarHBondContact O-N 3.17Å; C87-E92 PolarHBondContact N-O 2.7Å; C87-L94 HydrophobicContact CB-CD1 3.97Å; C87-L94 HydrophobicContact CB-CD2 4.38Å; C87-L94 HydrophobicContact CB-CG 4.16Å; C87-T144 PolarHBondContact SG-OG1 2.95Å; C87-T144 VanDerWaalsContact SG-OG1 3.35Å
88L94.4Very high96.5Very high113 Ų11338.9 Ų38.959%0.59220%0.197SC*.THydrogen-bonded Turntrans-68-27.1-179.9-76.9173.5000113.3T86 S145 A147T86-L88 PolarHBondContact O-N 3.26Å; L88-S145 WeakPolarHBondContact CB-O 3.41Å; L88-S145 PolarHBondContact N-O 2.88Å; L88-A147 HydrophobicContact CD2-CB 3.67Å; L88-A147 HydrophobicContact CG-CB 4.17Å
89E93.7Very high96.6Very high149 Ų14938.6 Ų38.670%0.69620%0.195SC*.THydrogen-bonded Turntrans-80.8-43.4-176.4-64179.3-172.800112.1C87C87-E89 VanDerWaalsContact C-N 3.27Å; C87-E89 PolarHBondContact O-N 2.65Å
90T92.8Very high96.6Very high89 Ų8936.1 Ų36.155%0.54619%0.185SC..THydrogen-bonded Turntrans-100.3-13.3-174.9640000113.6C87 E92C87-T90 WeakPolarHBondContact CB-OG1 3.47Å; T90-E92 PolarHBondContact O-N 2.91Å; T90-E92 WeakPolarHBondContact OG1-CA 3.34Å; T90-E92 PolarHBondContact OG1-N 3.02Å; T90-E92 VanDerWaalsContact OG1-N 3.08Å
91N92.1Very high96.7Very high132 Ų13234.4 Ų34.471%0.70618%0.178SC*.  trans58.620-165.2-152.632.1000113.1C87C87-N91 WeakPolarHBondContact O-CA 3.33Å; C87-N91 PolarHBondContact O-N 3.17Å
92E93.3Very high96.7Very high82 Ų8239 Ų3938%0.38320%0.199SC..  trans-58.6115.7170.2167.9-114.7-10700114.9T86 C87 T90 L94 K197T86-E92 CarbonylContact C-O 3.55Å; T86-E92 VanDerWaalsContact CA-O 3.23Å; T86-E92 WeakPolarHBondContact CA-O 3.33Å; T86-E92 WeakPolarHBondContact CG2-O 3.21Å; C87-E92 PolarHBondContact N-O 2.7Å; T90-E92 PolarHBondContact O-N 2.91Å; T90-E92 WeakPolarHBondContact OG1-CA 3.34Å; T90-E92 PolarHBondContact OG1-N 3.02Å; T90-E92 VanDerWaalsContact OG1-N 3.08Å; E92-L94 PolarHBondContact O-N 3.45Å; E92-K197 HydrophobicContact CG-CD 4.23Å; E92-K197 WeakPolarHBondContact OE1-CE 3.08Å; E92-K197 IonicContact OE1-NZ 2.56Å; E92-K197 PolarHBondContact OE1-NZ 3.22Å; E92-K197 IonicContact OE2-NZ 2.74Å; E92-K197 PolarHBondContact OE2-NZ 2.82Å
93V95.8Very high96.6Very high14 Ų1440.4 Ų40.49%0.08521%0.209CC..EExtended strand (participates in β ladder)trans-70.8114.9163.5-171.30000109.9V84 Q170 I172V84-V93 HydrophobicContact CG1-CB 4.48Å; V84-V93 HydrophobicContact CG1-CG1 3.49Å; V84-V93 VanDerWaalsContact CG1-CG1 3.49Å; V84-V93 HydrophobicContact CG1-CG2 4.21Å; V93-Q170 HydrophobicContact CG2-CB 4.49Å; V93-I172 HydrophobicContact CB-CG1 4.04Å; V93-I172 HydrophobicContact CG1-CD1 3.99Å; V93-I172 HydrophobicContact CG1-CG1 3.48Å; V93-I172 VanDerWaalsContact CG1-CG1 3.48Å
94L96Very high96.3Very high31 Ų3143.1 Ų43.116%0.16222%0.224CC..EExtended strand (participates in β ladder)trans-97.5-42.2-176.1-58.1-175.9000112.2I85 C87 E92 L142 Y196 K197I85-L94 PolarHBondContact O-N 2.91Å; C87-L94 HydrophobicContact CB-CD1 3.97Å; C87-L94 HydrophobicContact CB-CD2 4.38Å; C87-L94 HydrophobicContact CB-CG 4.16Å; E92-L94 PolarHBondContact O-N 3.45Å; L94-L142 HydrophobicContact CB-CD2 4.33Å; L94-L142 HydrophobicContact CD1-CD2 3.75Å; L94-Y196 CarbonylContact O-C 3.46Å; L94-Y196 WeakPolarHBondContact O-CA 3.46Å; L94-K197 PolarHBondContact O-N 3.24Å
95E97.7Very high96Very high3 Ų348.9 Ų48.91%0.01425%0.249CC..EExtended strand (participates in β ladder)trans-138.5148.9-179.7-58.1176.9-164.600111.5R32 I85 W97 V194 T195R32-E95 IonicContact CZ-OE1 3.02Å; R32-E95 IonicContact NE-OE1 2.7Å; R32-E95 PolarHBondContact NE-OE1 3.3Å; R32-E95 IonicContact NE-OE2 2.67Å; R32-E95 PolarHBondContact NE-OE2 3.22Å; R32-E95 IonicContact NH2-OE1 3.52Å; R32-E95 PolarHBondContact NH2-OE1 3.19Å; I85-E95 HydrophobicContact CB-CB 4.07Å; I85-E95 HydrophobicContact CD1-CB 4.23Å; I85-E95 HydrophobicContact CG1-CB 4.39Å; I85-E95 PolarHBondContact N-O 3.08Å; I85-E95 PolarHBondContact O-N 2.98Å; E95-W97 PolarHBondContact OE2-NE1 3.06Å; E95-V194 HydrophobicContact CB-CG2 4.48Å; E95-T195 CarbonylContact C-O 3.57Å; E95-T195 WeakPolarHBondContact CA-O 3.29Å
96R98.1Very high95.6Very high13 Ų1350.8 Ų50.85%0.04926%0.262CS..EExtended strand (participates in β ladder)trans-138.798.8179-173.2-175.5179.480.6-6.1108.8V82 Q98 Y153 P169 Q170 I172 V194 T195V82-R96 HydrophobicContact CG1-CG 3.35Å; R96-Q98 PolarHBondContact O-N 3.47Å; R96-Y153 PolarHBondContact NH2-OH 3.42Å; R96-P169 PolarHBondContact NH1-O 3.43Å; R96-P169 PolarHBondContact NH2-O 3.1Å; R96-Q170 PolarHBondContact NH1-O 2.94Å; R96-I172 HydrophobicContact CB-CD1 3.6Å; R96-I172 HydrophobicContact CB-CG1 4.24Å; R96-V194 WeakPolarHBondContact O-CA 2.95Å; R96-T195 PolarHBondContact N-O 3.37Å; R96-T195 PolarHBondContact O-N 3.29Å
97W98.5Very high95.1Very high1 Ų150.9 Ų50.90%0.00426%0.264CS..EExtended strand (participates in β ladder)trans-85.1103.1176.4-68.781.3000108.9I28 V82 L83 E95 F99 I132 T135 V136 L139 L180 M193 V194I28-W97 HydrophobicContact CD1-CB 3.9Å; I28-W97 HydrophobicContact CD1-CD2 3.67Å; I28-W97 HydrophobicContact CD1-CE3 3.76Å; I28-W97 HydrophobicContact CD1-CG 3.76Å; I28-W97 HydrophobicContact CG1-CD2 4.03Å; I28-W97 HydrophobicContact CG1-CE3 4.14Å; I28-W97 HydrophobicContact CG1-CG 4.43Å; I28-W97 HydrophobicContact CG1-CZ3 4.5Å; I28-W97 HydrophobicContact CG2-CD2 4.35Å; I28-W97 HydrophobicContact CG2-CG 4.27Å; V82-W97 CarbonylContact C-O 3.47Å; V82-W97 VanDerWaalsContact CA-O 3.3Å; V82-W97 WeakPolarHBondContact CA-O 3.44Å; L83-W97 HydrophobicContact CB-CB 4.19Å; L83-W97 PolarHBondContact N-O 3.04Å; L83-W97 PolarHBondContact O-N 3.07Å; E95-W97 PolarHBondContact OE2-NE1 3.06Å; W97-F99 HydrophobicContact CB-CE2 4.17Å; W97-I132 HydrophobicContact CH2-CG2 4.11Å; W97-I132 HydrophobicContact CZ3-CB 4.29Å; W97-I132 HydrophobicContact CZ3-CG1 4.17Å; W97-I132 HydrophobicContact CZ3-CG2 3.9Å; W97-T135 HydrophobicContact CH2-CG2 4.2Å; W97-V136 HydrophobicContact CH2-CG2 4.13Å; W97-V136 HydrophobicContact CZ2-CG2 4.07Å; W97-L139 HydrophobicContact CH2-CD1 4.28Å; W97-L139 HydrophobicContact CZ2-CD1 3.6Å; W97-L180 HydrophobicContact CZ3-CD2 4.39Å; W97-M193 CarbonylContact C-O 3.5Å; W97-V194 HydrophobicContact CD2-CB 3.81Å; W97-V194 HydrophobicContact CD2-CG2 3.73Å; W97-V194 HydrophobicContact CE3-CB 3.83Å; W97-V194 HydrophobicContact CE3-CG2 4.28Å; W97-V194 HydrophobicContact CG-CB 4.33Å; W97-V194 HydrophobicContact CG-CG2 3.99Å; W97-V194 HydrophobicContact CH2-CB 4.31Å; W97-V194 HydrophobicContact CH2-CG1 4.3Å; W97-V194 HydrophobicContact CZ2-CB 4.28Å; W97-V194 HydrophobicContact CZ2-CG2 4.03Å; W97-V194 HydrophobicContact CZ3-CB 4.08Å; W97-V194 HydrophobicContact CZ3-CG1 4.31Å
98Q98.4Very high94.5Very high26 Ų2655.7 Ų55.712%0.12128%0.284CS..EExtended strand (participates in β ladder)trans-103.6134.3-176.1177174.5-64.200111K80 V82 R96 D100 M193K80-Q98 HydrophobicContact CD-CG 4.09Å; V82-Q98 HydrophobicContact CG2-CB 4.28Å; V82-Q98 HydrophobicContact CG2-CG 4.13Å; R96-Q98 PolarHBondContact O-N 3.47Å; Q98-D100 VanDerWaalsContact NE2-CG 3.32Å; Q98-D100 PolarHBondContact NE2-OD1 2.89Å; Q98-D100 PolarHBondContact NE2-OD2 3.41Å; Q98-M193 HydrophobicContact CB-CG 3.84Å; Q98-M193 HydrophobicContact CB-SD 4.4Å; Q98-M193 HydrophobicContact CG-CG 4.4Å; Q98-M193 PolarHBondContact N-O 3.11Å; Q98-M193 PolarHBondContact O-N 2.59Å
99F98.7Very high93.9Very high2 Ų258.6 Ų58.61%0.00929%0.294CS..EExtended strand (participates in β ladder)trans-123.897.5176.9-58.1-87.2000109.4F20 F21 I28 K80 L81 W97 I132 V190 N191 S192F20-F99 HydrophobicContact CE1-CD1 4.02Å; F20-F99 HydrophobicContact CE1-CE1 4.11Å; F20-F99 HydrophobicContact CZ-CD1 4.19Å; F20-F99 AromaticContact CZ-CE1 3.91Å; F20-F99 HydrophobicContact CZ-CE1 3.91Å; F21-F99 HydrophobicContact CE1-CB 3.51Å; F21-F99 HydrophobicContact CE1-CD1 4.08Å; F21-F99 AromaticContact CE1-CD2 3.83Å; F21-F99 HydrophobicContact CE1-CD2 3.83Å; F21-F99 AromaticContact CE1-CG 3.54Å; F21-F99 HydrophobicContact CE1-CG 3.54Å; F21-F99 HydrophobicContact CZ-CB 3.74Å; F21-F99 HydrophobicContact CZ-CG 4.26Å; I28-F99 HydrophobicContact CD1-CE2 4.19Å; I28-F99 HydrophobicContact CD1-CZ 3.91Å; K80-F99 CarbonylContact C-O 3.54Å; K80-F99 WeakPolarHBondContact CA-O 3.46Å; K80-F99 VanDerWaalsContact CB-O 3.25Å; K80-F99 WeakPolarHBondContact CB-O 3.27Å; L81-F99 HydrophobicContact CD2-CD2 3.85Å; L81-F99 HydrophobicContact CD2-CE2 4.35Å; L81-F99 PolarHBondContact N-O 3.4Å; L81-F99 PolarHBondContact O-N 2.66Å; W97-F99 HydrophobicContact CB-CE2 4.17Å; F99-I132 HydrophobicContact CE1-CD1 4.27Å; F99-I132 HydrophobicContact CZ-CD1 4.31Å; F99-V190 HydrophobicContact CB-CG1 4.1Å; F99-V190 HydrophobicContact CD1-CG1 4.28Å; F99-N191 CarbonylContact C-O 3.57Å; F99-N191 VanDerWaalsContact CA-O 3.25Å; F99-N191 WeakPolarHBondContact CA-O 3.43Å; F99-S192 WeakPolarHBondContact CD1-OG 3.4Å
100D98.5Very high92.9Very high42 Ų4255.2 Ų55.223%0.22528%0.281CS..EExtended strand (participates in β ladder)trans-78.6127177.9-62.4-48.1000110.1K80 Q98 V190 N191K80-D100 WeakPolarHBondContact CB-OD1 3.15Å; K80-D100 WeakPolarHBondContact CD-OD1 3.39Å; Q98-D100 VanDerWaalsContact NE2-CG 3.32Å; Q98-D100 PolarHBondContact NE2-OD1 2.89Å; Q98-D100 PolarHBondContact NE2-OD2 3.41Å; D100-V190 CarbonylContact O-C 3.57Å; D100-V190 WeakPolarHBondContact O-CA 3.23Å; D100-N191 HydrophobicContact CB-CB 4.33Å; D100-N191 PolarHBondContact N-O 3.43Å; D100-N191 PolarHBondContact O-N 3.1Å
101I98.5Very high91.8Very high11 Ų1156.6 Ų56.66%0.05629%0.294CS..EExtended strand (participates in β ladder)trans-114115.2-173.1-60.4155.1000108.6F21 L73 V78 Q79 K189 V190F21-I101 HydrophobicContact CE2-CD1 3.83Å; F21-I101 HydrophobicContact CE2-CG1 4.37Å; F21-I101 HydrophobicContact CZ-CD1 3.77Å; F21-I101 HydrophobicContact CZ-CG1 4.14Å; L73-I101 HydrophobicContact CD2-CD1 4.28Å; L73-I101 HydrophobicContact CD2-CG2 3.89Å; V78-I101 HydrophobicContact CB-CD1 4.26Å; V78-I101 HydrophobicContact CG1-CD1 3.5Å; V78-I101 VanDerWaalsContact CG1-CD1 3.5Å; Q79-I101 PolarHBondContact O-N 2.74Å; I101-K189 WeakPolarHBondContact CA-O 3.17Å; I101-V190 HydrophobicContact CG1-CG2 4.38Å
102E97.9Very high91.3Very high96 Ų9653.1 Ų53.145%0.44928%0.283SS..EExtended strand (participates in β ladder)trans-99.7125.2171.1-57.9165.6-138.600108H188 K189 N191E102-H188 CarbonylContact O-C 3.58Å; E102-H188 VanDerWaalsContact O-CA 3.27Å; E102-H188 WeakPolarHBondContact O-CA 3.29Å; E102-K189 HydrophobicContact CB-CB 4.29Å; E102-K189 PolarHBondContact N-O 3.35Å; E102-K189 PolarHBondContact O-N 2.89Å; E102-K189 IonicContact OE1-NZ 3.14Å; E102-K189 PolarHBondContact OE1-NZ 3.2Å; E102-K189 IonicContact OE2-NZ 3.71Å; E102-K189 PolarHBondContact OE2-NZ 3.34Å; E102-N191 PolarHBondContact OE1-ND2 3.02Å
103C95.9Very high91.1Very high31 Ų3153 Ų5321%0.20929%0.29CS..EExtended strand (participates in β ladder)trans-111.4132170.8168.90000111.4C76 K105 I187C76-C103 HydrophobicContact CB-CB 3.54Å; C76-C103 WeakPolarHBondContact CB-SG 3.46Å; C76-C103 WeakPolarHBondContact SG-CB 3.5Å; C76-C103 CovalentContact SG-SG 2.03Å; C76-C103 PolarHBondContact SG-SG 3.06Å; C103-K105 PolarHBondContact O-N 3.09Å; C103-I187 WeakPolarHBondContact CA-O 3.28Å
104D94.2Very high90.8Very high57 Ų5755.6 Ų55.631%0.30530%0.298SS..  trans-73.996.7163.5175.413.3000110.9S106 A107 R114 I187D104-S106 VanDerWaalsContact CG-OG 3.22Å; D104-S106 PolarHBondContact O-N 3.35Å; D104-S106 VanDerWaalsContact O-N 3.14Å; D104-S106 WeakPolarHBondContact OD1-CB 3.45Å; D104-S106 PolarHBondContact OD1-N 2.94Å; D104-S106 PolarHBondContact OD1-OG 3.33Å; D104-S106 PolarHBondContact OD2-OG 3.4Å; D104-S106 VanDerWaalsContact OD2-OG 3.13Å; D104-A107 VanDerWaalsContact O-CB 3.31Å; D104-A107 WeakPolarHBondContact O-CB 3.32Å; D104-A107 PolarHBondContact O-N 2.87Å; D104-A107 VanDerWaalsContact O-N 3.12Å; D104-R114 IonicContact OD2-CZ 2.64Å; D104-R114 IonicContact OD2-NE 3.49Å; D104-R114 IonicContact OD2-NH2 3.23Å; D104-R114 PolarHBondContact OD2-NH2 3.12Å; D104-I187 PolarHBondContact N-O 2.82Å
105K90.4Very high90.5Very high121 Ų12163.1 Ų63.153%0.52633%0.332SS..G310 helixtrans-62.9-18.7-178.7-63.3-172.2177.1-170.50113.4C76 C103 A107 K108 D155C76-K105 HydrophobicContact CB-CG 4.28Å; C103-K105 PolarHBondContact O-N 3.09Å; K105-A107 PolarHBondContact O-N 3.13Å; K105-K108 WeakPolarHBondContact O-CB 3.49Å; K105-K108 PolarHBondContact O-N 2.61Å; K105-K108 VanDerWaalsContact O-N 3.12Å; K105-D155 IonicContact NZ-OD2 2.83Å
106S89.8Confident90.3Very high39 Ų3964.5 Ų64.527%0.27334%0.338SS..G310 helixtrans-66-19.4175.874.20000112.9D104 K108 E109 I110 R114D104-S106 VanDerWaalsContact CG-OG 3.22Å; D104-S106 PolarHBondContact O-N 3.35Å; D104-S106 VanDerWaalsContact O-N 3.14Å; D104-S106 WeakPolarHBondContact OD1-CB 3.45Å; D104-S106 PolarHBondContact OD1-N 2.94Å; D104-S106 PolarHBondContact OD1-OG 3.33Å; D104-S106 PolarHBondContact OD2-OG 3.4Å; D104-S106 VanDerWaalsContact OD2-OG 3.13Å; S106-K108 PolarHBondContact O-N 3.08Å; S106-E109 PolarHBondContact O-N 3.31Å; S106-E109 VanDerWaalsContact O-N 3.12Å; S106-I110 PolarHBondContact O-N 3.07Å; S106-R114 PolarHBondContact OG-NH2 3.3Å
107A86.5Confident90Very high11 Ų1167.1 Ų67.19%0.09136%0.358CS..G310 helixtrans-66.3-14.5173.800000113.8L10 D104 K105 I187L10-A107 HydrophobicContact CB-CB 4.47Å; D104-A107 VanDerWaalsContact O-CB 3.31Å; D104-A107 WeakPolarHBondContact O-CB 3.32Å; D104-A107 PolarHBondContact O-N 2.87Å; D104-A107 VanDerWaalsContact O-N 3.12Å; K105-A107 PolarHBondContact O-N 3.13Å; A107-I187 HydrophobicContact CB-CD1 4.17Å; A107-I187 HydrophobicContact CB-CG1 4.16Å; A107-I187 HydrophobicContact CB-CG2 3.71Å
108K83.3Confident89.7Confident107 Ų10770 Ų7047%0.46537%0.373SS..G310 helixtrans-76.8-34.4170.9-70.4-168174.9-164.80112.6L10 D75 K105 S106L10-K108 HydrophobicContact CD2-CG 3.66Å; D75-K108 VanDerWaalsContact C-CE 3.42Å; D75-K108 VanDerWaalsContact C-NZ 3.26Å; D75-K108 WeakPolarHBondContact O-CE 3.33Å; D75-K108 PolarHBondContact O-NZ 2.98Å; K105-K108 WeakPolarHBondContact O-CB 3.49Å; K105-K108 PolarHBondContact O-N 2.61Å; K105-K108 VanDerWaalsContact O-N 3.12Å; S106-K108 PolarHBondContact O-N 3.08Å
109E80.9Confident89.5Confident173 Ų17375.5 Ų75.581%0.80840%0.397SS*.THydrogen-bonded Turntrans-85.6-36.7-177.7-60.1-177.817200111.2S106S106-E109 PolarHBondContact O-N 3.31Å; S106-E109 VanDerWaalsContact O-N 3.12Å
110I73.4Confident89.3Confident79 Ų7977.4 Ų77.441%0.40541%0.41SS..  trans-97.6102.5-178.2-57170.5000108.6S106 A112S106-I110 PolarHBondContact O-N 3.07Å; I110-A112 HydrophobicContact CG2-CB 3.85Å; I110-A112 PolarHBondContact O-N 3.12Å; I110-A112 VanDerWaalsContact O-N 3.17Å
111S70.4Confident89.2Confident118 Ų11875.4 Ų75.483%0.82540%0.4SS*.  trans-71.3-4.7178.367.20000114.2
112A81.9Confident89.1Confident59 Ų5977.5 Ų77.549%0.48841%0.409SS..SBendtrans-71.6131.1179.600000111I110I110-A112 HydrophobicContact CG2-CB 3.85Å; I110-A112 PolarHBondContact O-N 3.12Å; I110-A112 VanDerWaalsContact O-N 3.17Å
113P87.4Confident89.1Confident79 Ų7975.8 Ų75.851%0.51340%0.403SS..PPolyproline II helixtrans-58.4138.9174.3-21.631.6000111.6I8 T9I8-P113 WeakPolarHBondContact O-CA 3.45Å; T9-P113 HydrophobicContact CG2-CB 4.29Å; T9-P113 HydrophobicContact CG2-CG 4.08Å
114R89.4Confident89.2Confident68 Ų6877 Ų7726%0.25741%0.406SS..BIsolated β-bridgetrans-75.5142.8171.9-61.5-65.3-166.2-164.5-2.5110.3G7 I8 D104 S106 K116 S186 I187G7-R114 CarbonylContact C-O 3.55Å; G7-R114 WeakPolarHBondContact CA-O 3.47Å; I8-R114 HydrophobicContact CG2-CB 3.8Å; I8-R114 PolarHBondContact N-O 3.05Å; I8-R114 PolarHBondContact O-N 3.22Å; D104-R114 IonicContact OD2-CZ 2.64Å; D104-R114 IonicContact OD2-NE 3.49Å; D104-R114 IonicContact OD2-NH2 3.23Å; D104-R114 PolarHBondContact OD2-NH2 3.12Å; S106-R114 PolarHBondContact OG-NH2 3.3Å; R114-K116 PolarHBondContact O-N 3.14Å; R114-S186 WeakPolarHBondContact CB-OG 3.45Å; R114-I187 HydrophobicContact CB-CG1 4.46Å; R114-I187 HydrophobicContact CG-CD1 4Å; R114-I187 HydrophobicContact CG-CG1 3.61Å
115E90.3Very high89.3Confident190 Ų19074.3 Ų74.389%0.88839%0.391SS*.SBendtrans-81.286.9-178.6-164.1172.6-17000110.9
116K92.9Very high89.6Confident32 Ų3270.9 Ų70.914%0.13938%0.375CS..  trans-143.9132.3168.4-168.5169.1-175.7171.90109.6I8 R114 I121 E124 T184I8-K116 HydrophobicContact CG2-CB 4.3Å; R114-K116 PolarHBondContact O-N 3.14Å; K116-I121 HydrophobicContact CB-CD1 4.45Å; K116-I121 HydrophobicContact CD-CD1 4.21Å; K116-I121 HydrophobicContact CD-CG1 3.72Å; K116-I121 HydrophobicContact CG-CD1 4.16Å; K116-I121 HydrophobicContact CG-CG1 3.89Å; K116-E124 WeakPolarHBondContact CE-OE1 3.3Å; K116-E124 IonicContact NZ-OE1 3.25Å; K116-E124 PolarHBondContact NZ-OE1 2.96Å; K116-E124 IonicContact NZ-OE2 2.65Å; K116-E124 PolarHBondContact NZ-OE2 2.85Å; K116-T184 WeakPolarHBondContact CE-O 3.29Å; K116-T184 VanDerWaalsContact NZ-CG2 3.31Å; K116-T184 PolarHBondContact NZ-O 2.83Å
117S93.6Very high90Very high67 Ų6770.3 Ų70.347%0.46937%0.371SS..  trans-73.8140.5-179.672.60000111.5K119 S120 I121S117-K119 PolarHBondContact O-N 3.21Å; S117-S120 PolarHBondContact O-N 3.12Å; S117-S120 VanDerWaalsContact O-N 3.16Å; S117-S120 VanDerWaalsContact OG-CB 3.29Å; S117-S120 WeakPolarHBondContact OG-CB 3.13Å; S117-S120 PolarHBondContact OG-N 3.25Å; S117-I121 PolarHBondContact O-N 3.44Å
118I92Very high90.5Very high61 Ų6169.8 Ų69.831%0.31337%0.367SS..Hα-helixtrans-56.5-41.3176.7-62.6175.7000110.7L5 S120 I121 Q122L5-I118 HydrophobicContact CB-CD1 4.31Å; I118-S120 PolarHBondContact O-N 3.03Å; I118-I121 PolarHBondContact O-N 3.4Å; I118-I121 VanDerWaalsContact O-N 3.16Å; I118-Q122 HydrophobicContact CG2-CG 4.13Å; I118-Q122 WeakPolarHBondContact O-CG 3.42Å; I118-Q122 PolarHBondContact O-N 3.42Å
119K93Very high91.2Very high142 Ų14264.8 Ų64.862%0.61735%0.345SS*.Hα-helixtrans-58-45.5178.2-178.2171.9-179.3169.60112.4S117 I121 Q122 D123S117-K119 PolarHBondContact O-N 3.21Å; K119-I121 VanDerWaalsContact C-N 3.32Å; K119-I121 PolarHBondContact O-N 2.98Å; K119-Q122 PolarHBondContact O-N 2.92Å; K119-D123 WeakPolarHBondContact O-CB 3.32Å; K119-D123 PolarHBondContact O-N 3.41Å
120S95.6Very high91.9Very high42 Ų4264.5 Ų64.529%0.29434%0.336SS..Hα-helixtrans-61.7-40.2177.2170.50000112S117 I118 D123 E124S117-S120 PolarHBondContact O-N 3.12Å; S117-S120 VanDerWaalsContact O-N 3.16Å; S117-S120 VanDerWaalsContact OG-CB 3.29Å; S117-S120 WeakPolarHBondContact OG-CB 3.13Å; S117-S120 PolarHBondContact OG-N 3.25Å; I118-S120 PolarHBondContact O-N 3.03Å; S120-D123 PolarHBondContact O-N 3Å; S120-E124 WeakPolarHBondContact O-CG 3.15Å; S120-E124 PolarHBondContact O-N 2.82Å; S120-E124 VanDerWaalsContact O-N 3.1Å
121I96.4Very high93Very high0 Ų063.3 Ų63.30%033%0.329CS..Hα-helixtrans-64.9-45.8176.7-59.5168.4000110.3I8 L16 K116 S117 I118 K119 D123 E124 I125 T185I8-I121 HydrophobicContact CB-CD1 4.43Å; I8-I121 HydrophobicContact CD1-CD1 4.41Å; I8-I121 HydrophobicContact CG1-CD1 4.23Å; L16-I121 HydrophobicContact CD1-CD1 4.08Å; L16-I121 HydrophobicContact CD1-CG2 4.03Å; K116-I121 HydrophobicContact CB-CD1 4.45Å; K116-I121 HydrophobicContact CD-CD1 4.21Å; K116-I121 HydrophobicContact CD-CG1 3.72Å; K116-I121 HydrophobicContact CG-CD1 4.16Å; K116-I121 HydrophobicContact CG-CG1 3.89Å; S117-I121 PolarHBondContact O-N 3.44Å; I118-I121 PolarHBondContact O-N 3.4Å; I118-I121 VanDerWaalsContact O-N 3.16Å; K119-I121 VanDerWaalsContact C-N 3.32Å; K119-I121 PolarHBondContact O-N 2.98Å; I121-D123 VanDerWaalsContact C-N 3.31Å; I121-D123 PolarHBondContact O-N 3.35Å; I121-E124 PolarHBondContact O-N 2.87Å; I121-I125 HydrophobicContact CG2-CD1 3.89Å; I121-I125 HydrophobicContact CG2-CG1 4.47Å; I121-I125 WeakPolarHBondContact O-CG1 3.47Å; I121-I125 PolarHBondContact O-N 2.68Å; I121-T185 HydrophobicContact CD1-CG2 4.38Å; I121-T185 HydrophobicContact CG2-CG2 4.04Å
122Q95.6Very high94.2Very high56 Ų5657.7 Ų57.726%0.26229%0.29SS..Hα-helixtrans-62-37.4177.1-71.2177.3-30.900112.2Y46 I118 K119 I125 R126Y46-Q122 HydrophobicContact CD1-CB 4.03Å; Y46-Q122 HydrophobicContact CD1-CG 3.86Å; Y46-Q122 HydrophobicContact CE1-CG 4.08Å; I118-Q122 HydrophobicContact CG2-CG 4.13Å; I118-Q122 WeakPolarHBondContact O-CG 3.42Å; I118-Q122 PolarHBondContact O-N 3.42Å; K119-Q122 PolarHBondContact O-N 2.92Å; Q122-I125 PolarHBondContact O-N 2.89Å; Q122-R126 VanDerWaalsContact O-CB 3.28Å; Q122-R126 WeakPolarHBondContact O-CB 3.36Å; Q122-R126 PolarHBondContact O-N 2.88Å
123D97.1Very high94.9Very high60 Ų6057.3 Ų57.332%0.32128%0.282SS..Hα-helixtrans-66.6-39.1176.8-67.5-20.1000111.9K119 S120 I121 R126 S127K119-D123 WeakPolarHBondContact O-CB 3.32Å; K119-D123 PolarHBondContact O-N 3.41Å; S120-D123 PolarHBondContact O-N 3Å; I121-D123 VanDerWaalsContact C-N 3.31Å; I121-D123 PolarHBondContact O-N 3.35Å; D123-R126 WeakPolarHBondContact O-CB 3.31Å; D123-R126 IonicContact OD1-CZ 2.73Å; D123-R126 VanDerWaalsContact OD1-CZ 3.25Å; D123-R126 IonicContact OD1-NH1 2.94Å; D123-R126 PolarHBondContact OD1-NH1 3Å; D123-R126 IonicContact OD1-NH2 3.72Å; D123-R126 PolarHBondContact OD1-NH2 3.14Å; D123-S127 PolarHBondContact O-N 2.77Å; D123-S127 VanDerWaalsContact O-N 3.11Å
124E98.3Very high95.2Very high57 Ų5755.7 Ų55.727%0.26628%0.275SS..Hα-helixtrans-66.3-47.5173.2-70.2171.5-156.100111.4K116 S120 I121 R126 S127 V128 F183 T184K116-E124 WeakPolarHBondContact CE-OE1 3.3Å; K116-E124 IonicContact NZ-OE1 3.25Å; K116-E124 PolarHBondContact NZ-OE1 2.96Å; K116-E124 IonicContact NZ-OE2 2.65Å; K116-E124 PolarHBondContact NZ-OE2 2.85Å; S120-E124 WeakPolarHBondContact O-CG 3.15Å; S120-E124 PolarHBondContact O-N 2.82Å; S120-E124 VanDerWaalsContact O-N 3.1Å; I121-E124 PolarHBondContact O-N 2.87Å; E124-R126 VanDerWaalsContact C-N 3.29Å; E124-R126 PolarHBondContact O-N 3.04Å; E124-S127 WeakPolarHBondContact O-CA 3.47Å; E124-S127 WeakPolarHBondContact O-CB 3.25Å; E124-S127 PolarHBondContact O-N 3.33Å; E124-V128 PolarHBondContact O-N 3.35Å; E124-F183 HydrophobicContact CB-CB 3.53Å; E124-F183 WeakPolarHBondContact OE2-CA 3.47Å; E124-T184 PolarHBondContact OE2-N 2.9Å
125I97.8Very high95.6Very high0 Ų053 Ų530%027%0.266CS..Hα-helixtrans-55.5-46.2174.7-74169.3000110.6F20 Y46 I121 Q122 S127 V128 I129 F183F20-I125 HydrophobicContact CB-CD1 4.41Å; F20-I125 HydrophobicContact CB-CG2 4.49Å; F20-I125 HydrophobicContact CD2-CG2 3.9Å; Y46-I125 HydrophobicContact CD1-CG2 4.32Å; Y46-I125 HydrophobicContact CD2-CG2 3.73Å; Y46-I125 HydrophobicContact CE1-CD1 4.46Å; Y46-I125 HydrophobicContact CE1-CG2 4.13Å; Y46-I125 HydrophobicContact CE2-CG2 3.49Å; Y46-I125 VanDerWaalsContact CE2-CG2 3.49Å; Y46-I125 HydrophobicContact CG-CG2 4.13Å; I121-I125 HydrophobicContact CG2-CD1 3.89Å; I121-I125 HydrophobicContact CG2-CG1 4.47Å; I121-I125 WeakPolarHBondContact O-CG1 3.47Å; I121-I125 PolarHBondContact O-N 2.68Å; Q122-I125 PolarHBondContact O-N 2.89Å; I125-S127 VanDerWaalsContact C-N 3.25Å; I125-S127 PolarHBondContact O-N 3.26Å; I125-V128 PolarHBondContact O-N 3.26Å; I125-V128 VanDerWaalsContact O-N 3.08Å; I125-I129 HydrophobicContact CG2-CD1 3.76Å; I125-I129 HydrophobicContact CG2-CG1 4.39Å; I125-I129 PolarHBondContact O-N 2.8Å; I125-F183 HydrophobicContact CD1-CD2 4.18Å; I125-F183 HydrophobicContact CD1-CE2 3.95Å; I125-F183 HydrophobicContact CD1-CZ 4.44Å; I125-F183 HydrophobicContact CG1-CB 4.47Å; I125-F183 HydrophobicContact CG1-CD1 4.17Å; I125-F183 HydrophobicContact CG1-CD2 3.58Å; I125-F183 HydrophobicContact CG1-CE1 4.26Å; I125-F183 HydrophobicContact CG1-CE2 3.7Å; I125-F183 HydrophobicContact CG1-CG 3.82Å; I125-F183 HydrophobicContact CG1-CZ 4.04Å
126R96.9Very high95.7Very high49 Ų4944.8 Ų44.819%0.18523%0.229CC..Hα-helixtrans-54-45.4175.9-168.2-167.6-61.5104.16.3110.9Y46 D47 M48 Q122 D123 E124 V128 R130Y46-R126 WeakPolarHBondContact O-CD 3.5Å; Y46-R126 PolarHBondContact O-NE 2.99Å; D47-R126 IonicContact OD2-CZ 3.72Å; D47-R126 IonicContact OD2-NH2 2.88Å; D47-R126 PolarHBondContact OD2-NH2 3.4Å; M48-R126 HydrophobicContact CE-CB 4.07Å; M48-R126 HydrophobicContact CE-CG 3.48Å; M48-R126 VanDerWaalsContact CE-CG 3.48Å; M48-R126 HydrophobicContact CG-CG 3.66Å; M48-R126 HydrophobicContact SD-CB 4.42Å; M48-R126 HydrophobicContact SD-CG 3.29Å; M48-R126 WeakPolarHBondContact SD-CG 3.42Å; Q122-R126 VanDerWaalsContact O-CB 3.28Å; Q122-R126 WeakPolarHBondContact O-CB 3.36Å; Q122-R126 PolarHBondContact O-N 2.88Å; D123-R126 WeakPolarHBondContact O-CB 3.31Å; D123-R126 IonicContact OD1-CZ 2.73Å; D123-R126 VanDerWaalsContact OD1-CZ 3.25Å; D123-R126 IonicContact OD1-NH1 2.94Å; D123-R126 PolarHBondContact OD1-NH1 3Å; D123-R126 IonicContact OD1-NH2 3.72Å; D123-R126 PolarHBondContact OD1-NH2 3.14Å; E124-R126 VanDerWaalsContact C-N 3.29Å; E124-R126 PolarHBondContact O-N 3.04Å; R126-V128 VanDerWaalsContact C-N 3.34Å; R126-V128 PolarHBondContact O-N 3.49Å; R126-R130 WeakPolarHBondContact O-CG 3.27Å; R126-R130 PolarHBondContact O-N 2.91Å
127S97.3Very high95.6Very high27 Ų2748.5 Ų48.519%0.18926%0.255CS..Hα-helixtrans-63-39.2178.8-1710000112.5D123 E124 I125 Q131 R181D123-S127 PolarHBondContact O-N 2.77Å; D123-S127 VanDerWaalsContact O-N 3.11Å; E124-S127 WeakPolarHBondContact O-CA 3.47Å; E124-S127 WeakPolarHBondContact O-CB 3.25Å; E124-S127 PolarHBondContact O-N 3.33Å; I125-S127 VanDerWaalsContact C-N 3.25Å; I125-S127 PolarHBondContact O-N 3.26Å; S127-Q131 WeakPolarHBondContact O-CG 3.41Å; S127-Q131 PolarHBondContact O-N 2.6Å; S127-Q131 VanDerWaalsContact O-N 3.14Å; S127-R181 WeakPolarHBondContact OG-CD 3.38Å; S127-R181 PolarHBondContact OG-NH1 3.5Å
128V97.9Very high95.4Very high0 Ų052.9 Ų52.90%027%0.265CS..Hα-helixtrans-69-47.2179.2178.90000110.9F20 E124 I125 R126 R130 Q131 I132 R181 F183F20-V128 HydrophobicContact CE2-CB 4.21Å; F20-V128 HydrophobicContact CE2-CG1 3.8Å; F20-V128 HydrophobicContact CZ-CG1 3.81Å; E124-V128 PolarHBondContact O-N 3.35Å; I125-V128 PolarHBondContact O-N 3.26Å; I125-V128 VanDerWaalsContact O-N 3.08Å; R126-V128 VanDerWaalsContact C-N 3.34Å; R126-V128 PolarHBondContact O-N 3.49Å; V128-R130 VanDerWaalsContact C-N 3.32Å; V128-R130 PolarHBondContact O-N 3.06Å; V128-Q131 CarbonylContact O-C 3.6Å; V128-Q131 WeakPolarHBondContact O-CA 3.23Å; V128-Q131 WeakPolarHBondContact O-CB 3.34Å; V128-Q131 PolarHBondContact O-N 3.33Å; V128-I132 PolarHBondContact O-N 2.67Å; V128-R181 HydrophobicContact CG2-CB 4.22Å; V128-R181 WeakPolarHBondContact CG2-O 3.48Å; V128-F183 HydrophobicContact CG2-CB 4.34Å; V128-F183 HydrophobicContact CG2-CD1 4.13Å
129I96.4Very high95.5Very high1 Ų150.5 Ų50.51%0.00525%0.253CS..Hα-helixtrans-61.8-40.1178.9-65.1170.6000111.4F20 F23 Y46 M48 L50 I125 Q131 I132 T133F20-I129 HydrophobicContact CD2-CD1 4.34Å; F20-I129 HydrophobicContact CD2-CG1 4.15Å; F20-I129 HydrophobicContact CE2-CG1 3.99Å; F23-I129 HydrophobicContact CB-CD1 4.18Å; Y46-I129 HydrophobicContact CD2-CD1 3.77Å; Y46-I129 HydrophobicContact CE2-CD1 3.84Å; M48-I129 HydrophobicContact CE-CB 3.92Å; M48-I129 HydrophobicContact CE-CD1 4.23Å; M48-I129 HydrophobicContact CE-CG2 3.92Å; L50-I129 HydrophobicContact CD1-CD1 4.12Å; L50-I129 HydrophobicContact CD2-CG2 3.62Å; I125-I129 HydrophobicContact CG2-CD1 3.76Å; I125-I129 HydrophobicContact CG2-CG1 4.39Å; I125-I129 PolarHBondContact O-N 2.8Å; I129-Q131 VanDerWaalsContact C-N 3.27Å; I129-Q131 PolarHBondContact O-N 3.49Å; I129-I132 WeakPolarHBondContact O-CB 3.32Å; I129-I132 PolarHBondContact O-N 2.92Å; I129-T133 PolarHBondContact O-N 2.92Å
130R96.3Very high95.5Very high167 Ų16745.3 Ų45.363%0.6323%0.234SC*.Hα-helixtrans-61.7-37.6173.5-72.8-178.569.4-143.4-0.2112.3M48 R126 V128 T133 A134M48-R130 HydrophobicContact SD-CG 3.45Å; M48-R130 WeakPolarHBondContact SD-CG 3.31Å; R126-R130 WeakPolarHBondContact O-CG 3.27Å; R126-R130 PolarHBondContact O-N 2.91Å; V128-R130 VanDerWaalsContact C-N 3.32Å; V128-R130 PolarHBondContact O-N 3.06Å; R130-T133 PolarHBondContact O-N 3.25Å; R130-A134 WeakPolarHBondContact O-CB 3.42Å; R130-A134 PolarHBondContact O-N 3.49Å
131Q96.9Very high95.3Very high54 Ų5450 Ų5025%0.25226%0.255SS..Hα-helixtrans-70.5-35.8176.3-79.8-168.2-18.800112.6S127 V128 I129 T133 A134 T135 L180 R181S127-Q131 WeakPolarHBondContact O-CG 3.41Å; S127-Q131 PolarHBondContact O-N 2.6Å; S127-Q131 VanDerWaalsContact O-N 3.14Å; V128-Q131 CarbonylContact O-C 3.6Å; V128-Q131 WeakPolarHBondContact O-CA 3.23Å; V128-Q131 WeakPolarHBondContact O-CB 3.34Å; V128-Q131 PolarHBondContact O-N 3.33Å; I129-Q131 VanDerWaalsContact C-N 3.27Å; I129-Q131 PolarHBondContact O-N 3.49Å; Q131-T133 VanDerWaalsContact C-N 3.31Å; Q131-T133 PolarHBondContact O-N 3.04Å; Q131-A134 PolarHBondContact O-N 3.05Å; Q131-T135 WeakPolarHBondContact O-CB 3.47Å; Q131-T135 PolarHBondContact O-N 3.44Å; Q131-T135 PolarHBondContact O-OG1 3.32Å; Q131-L180 HydrophobicContact CB-CD2 3.92Å; Q131-L180 HydrophobicContact CB-CG 4.24Å; Q131-R181 VanDerWaalsContact NE2-NE 3.16Å; Q131-R181 VanDerWaalsContact OE1-CB 3.3Å; Q131-R181 VanDerWaalsContact OE1-CG 3.25Å
132I96.3Very high95.1Very high0 Ų052 Ų520%027%0.266CS..Hα-helixtrans-53.5-52.5171.7-69171.6000109.5I28 W97 F99 V128 I129 A134 T135 V136 L180I28-I132 HydrophobicContact CD1-CG2 4.43Å; I28-I132 HydrophobicContact CG1-CG2 3.63Å; W97-I132 HydrophobicContact CH2-CG2 4.11Å; W97-I132 HydrophobicContact CZ3-CB 4.29Å; W97-I132 HydrophobicContact CZ3-CG1 4.17Å; W97-I132 HydrophobicContact CZ3-CG2 3.9Å; F99-I132 HydrophobicContact CE1-CD1 4.27Å; F99-I132 HydrophobicContact CZ-CD1 4.31Å; V128-I132 PolarHBondContact O-N 2.67Å; I129-I132 WeakPolarHBondContact O-CB 3.32Å; I129-I132 PolarHBondContact O-N 2.92Å; I132-A134 PolarHBondContact O-N 3.47Å; I132-T135 PolarHBondContact O-N 3.35Å; I132-V136 WeakPolarHBondContact O-CG2 3.34Å; I132-V136 PolarHBondContact O-N 3Å; I132-L180 HydrophobicContact CB-CD2 4.43Å; I132-L180 HydrophobicContact CG1-CD2 3.74Å
133T94.6Very high94.8Very high51 Ų5157.8 Ų57.831%0.31329%0.293SS..Hα-helixtrans-62-41.7177.5-57.70000112.8I129 R130 Q131 V136I129-T133 PolarHBondContact O-N 2.92Å; R130-T133 PolarHBondContact O-N 3.25Å; Q131-T133 VanDerWaalsContact C-N 3.31Å; Q131-T133 PolarHBondContact O-N 3.04Å; T133-V136 PolarHBondContact O-N 3.12Å
134A95.7Very high94.4Very high46 Ų4657.5 Ų57.538%0.3829%0.293SS..Hα-helixtrans-68.5-37.3179.400000112.4R130 Q131 I132 V136 T137 F138R130-A134 WeakPolarHBondContact O-CB 3.42Å; R130-A134 PolarHBondContact O-N 3.49Å; Q131-A134 PolarHBondContact O-N 3.05Å; I132-A134 PolarHBondContact O-N 3.47Å; A134-V136 PolarHBondContact O-N 3.23Å; A134-T137 PolarHBondContact O-N 3.29Å; A134-T137 VanDerWaalsContact O-N 3.17Å; A134-T137 PolarHBondContact O-OG1 3.15Å; A134-F138 VanDerWaalsContact O-CD2 3.31Å; A134-F138 WeakPolarHBondContact O-CD2 3.42Å; A134-F138 WeakPolarHBondContact O-CE2 3.5Å
135T95.9Very high94.2Very high12 Ų1258.6 Ų58.67%0.07431%0.307CS..Hα-helixtrans-62.3-35.4179.9-67.70000111.1W97 Q131 I132 T137 F138 L139 V178 L180 V194W97-T135 HydrophobicContact CH2-CG2 4.2Å; Q131-T135 WeakPolarHBondContact O-CB 3.47Å; Q131-T135 PolarHBondContact O-N 3.44Å; Q131-T135 PolarHBondContact O-OG1 3.32Å; I132-T135 PolarHBondContact O-N 3.35Å; T135-T137 PolarHBondContact O-N 2.85Å; T135-T137 VanDerWaalsContact O-N 3.1Å; T135-F138 PolarHBondContact O-N 3.24Å; T135-L139 HydrophobicContact CG2-CD1 4.5Å; T135-L139 HydrophobicContact CG2-CD2 4.24Å; T135-L139 HydrophobicContact CG2-CG 4.3Å; T135-L139 PolarHBondContact O-N 2.96Å; T135-V178 HydrophobicContact CG2-CB 4.22Å; T135-V178 HydrophobicContact CG2-CG1 4.08Å; T135-V178 HydrophobicContact CG2-CG2 4.49Å; T135-L180 HydrophobicContact CG2-CD1 4.41Å; T135-V194 HydrophobicContact CG2-CG1 3.58Å
136V93.5Very high94.1Very high17 Ų1759.4 Ų59.410%0.10331%0.313CS..Hα-helixtrans-56.3-28.8177.6174.20000112.8Q31 W97 I132 T133 A134 F138 L139Q31-V136 HydrophobicContact CB-CB 4.47Å; Q31-V136 HydrophobicContact CB-CG1 4.27Å; Q31-V136 HydrophobicContact CB-CG2 3.92Å; W97-V136 HydrophobicContact CH2-CG2 4.13Å; W97-V136 HydrophobicContact CZ2-CG2 4.07Å; I132-V136 WeakPolarHBondContact O-CG2 3.34Å; I132-V136 PolarHBondContact O-N 3Å; T133-V136 PolarHBondContact O-N 3.12Å; A134-V136 PolarHBondContact O-N 3.23Å; V136-F138 PolarHBondContact O-N 3.35Å; V136-L139 PolarHBondContact O-N 3.15Å
137T90.8Very high94.2Very high110 Ų11058.7 Ų58.768%0.67532%0.317SS*.THydrogen-bonded Turntrans-71.7-13.8177.469.90000113.8A134 T135A134-T137 PolarHBondContact O-N 3.29Å; A134-T137 VanDerWaalsContact O-N 3.17Å; A134-T137 PolarHBondContact O-OG1 3.15Å; T135-T137 PolarHBondContact O-N 2.85Å; T135-T137 VanDerWaalsContact O-N 3.1Å
138F88.6Confident94.2Very high158 Ų15858.7 Ų58.769%0.69331%0.314SS*.THydrogen-bonded Turntrans-104.5-9.1177.7-57.9-81.5000112.6A134 T135 V136A134-F138 VanDerWaalsContact O-CD2 3.31Å; A134-F138 WeakPolarHBondContact O-CD2 3.42Å; A134-F138 WeakPolarHBondContact O-CE2 3.5Å; T135-F138 PolarHBondContact O-N 3.24Å; V136-F138 PolarHBondContact O-N 3.35Å
139L94.5Very high94.2Very high12 Ų1262.1 Ų62.16%0.06333%0.332CS..SBendtrans-81.7149.3177.4-59.6-176.8000110.3W97 T135 V136 V194 Y196W97-L139 HydrophobicContact CH2-CD1 4.28Å; W97-L139 HydrophobicContact CZ2-CD1 3.6Å; T135-L139 HydrophobicContact CG2-CD1 4.5Å; T135-L139 HydrophobicContact CG2-CD2 4.24Å; T135-L139 HydrophobicContact CG2-CG 4.3Å; T135-L139 PolarHBondContact O-N 2.96Å; V136-L139 PolarHBondContact O-N 3.15Å; L139-V194 HydrophobicContact CD1-CG1 4.49Å; L139-V194 HydrophobicContact CD1-CG2 4.33Å; L139-V194 HydrophobicContact CD2-CG1 4.12Å; L139-Y196 HydrophobicContact CD2-CD1 3.47Å; L139-Y196 VanDerWaalsContact CD2-CD1 3.47Å; L139-Y196 HydrophobicContact CD2-CD2 4.42Å; L139-Y196 HydrophobicContact CD2-CE1 3.86Å; L139-Y196 HydrophobicContact CD2-CG 3.78Å
140P93.3Very high94.2Very high32 Ų3262.8 Ų62.821%0.20834%0.335CS..PPolyproline II helixtrans-52.1149170.2-25.734.7000112.1R32 Y196 T199R32-P140 PolarHBondContact NH2-O 3.35Å; P140-Y196 VanDerWaalsContact CD-CD2 3.48Å; P140-Y196 HydrophobicContact CG-CD2 3.89Å; P140-Y196 HydrophobicContact CG-CE2 4.12Å; P140-T199 HydrophobicContact CB-CG2 3.96Å; P140-T199 HydrophobicContact CG-CG2 4.33Å
141L91.9Very high94.3Very high141 Ų14155.6 Ų55.674%0.73831%0.309SS*.PPolyproline II helixtrans-68.5134.3174.8-66.1175.7000109.7E143L141-E143 HydrophobicContact CB-CG 4.37Å; L141-E143 PolarHBondContact O-N 2.78Å
142L92.5Very high94.3Very high43 Ų4354.2 Ų54.223%0.22531%0.305CS..  trans-86.6101.9169.7-57.1178.6000107.7R32 I85 L94R32-L142 HydrophobicContact CB-CD1 4.01Å; I85-L142 HydrophobicContact CG2-CD1 4.14Å; L94-L142 HydrophobicContact CB-CD2 4.33Å; L94-L142 HydrophobicContact CD1-CD2 3.75Å
143E87.8Confident94.3Very high177 Ų17757.1 Ų57.183%0.82732%0.316SS*.  trans-89.8-5.9-179.2-61.3-175.5163.700112.9L141L141-E143 HydrophobicContact CB-CG 4.37Å; L141-E143 PolarHBondContact O-N 2.78Å
144T89.5Confident94.4Very high54 Ų5456.6 Ų56.633%0.33131%0.313SS..SBendtrans-116.1159.7-177.557.60000111.6C87 C146C87-T144 PolarHBondContact SG-OG1 2.95Å; C87-T144 VanDerWaalsContact SG-OG1 3.35Å; T144-C146 PolarHBondContact O-N 2.79Å; T144-C146 PolarHBondContact O-SG 3.29Å; T144-C146 VanDerWaalsContact O-SG 3.37Å
145S93.4Very high94.2Very high80 Ų8056.7 Ų56.756%0.55931%0.307SS*.  trans-66.7127.9173-62.10000109.7L88L88-S145 WeakPolarHBondContact CB-O 3.41Å; L88-S145 PolarHBondContact N-O 2.88Å
146C97.1Very high93.9Very high17 Ų1765.8 Ų65.812%0.11535%0.345CS..EExtended strand (participates in β ladder)trans-118149.3-177.8-62.70000111.1I34 I85 T86 T144I34-C146 HydrophobicContact CD1-CB 3.71Å; I85-C146 HydrophobicContact CG2-CB 3.67Å; T86-C146 CarbonylContact O-C 3.55Å; T86-C146 WeakPolarHBondContact O-CA 3.44Å; T86-C146 WeakPolarHBondContact O-CB 3.47Å; T144-C146 PolarHBondContact O-N 2.79Å; T144-C146 PolarHBondContact O-SG 3.29Å; T144-C146 VanDerWaalsContact O-SG 3.37Å
147A97.1Very high93.7Very high33 Ų3372.7 Ų72.727%0.27338%0.382SS..EExtended strand (participates in β ladder)trans-104170.6165.500000110.2I85 T86 L88I85-A147 WeakPolarHBondContact CA-O 3.45Å; T86-A147 PolarHBondContact N-O 3.42Å; T86-A147 PolarHBondContact O-N 3.36Å; L88-A147 HydrophobicContact CD2-CB 3.67Å; L88-A147 HydrophobicContact CG-CB 4.17Å
148F98.1Very high93.7Very high28 Ų2869.8 Ų69.812%0.12336%0.362CS..EExtended strand (participates in β ladder)trans-130.6147.7171.682.4-73.5000111.7L29 I34 Y35 L58 Y61 L83 V84 L150L29-F148 HydrophobicContact CD1-CE1 4.46Å; L29-F148 HydrophobicContact CD1-CE2 4.41Å; L29-F148 HydrophobicContact CD1-CZ 4.27Å; L29-F148 HydrophobicContact CD2-CB 3.99Å; L29-F148 HydrophobicContact CD2-CD1 3.78Å; L29-F148 HydrophobicContact CD2-CD2 3.88Å; L29-F148 HydrophobicContact CD2-CE1 4.26Å; L29-F148 HydrophobicContact CD2-CE2 4.31Å; L29-F148 HydrophobicContact CD2-CG 3.57Å; L29-F148 HydrophobicContact CD2-CZ 4.5Å; I34-F148 HydrophobicContact CG2-CB 4.29Å; I34-F148 HydrophobicContact CG2-CD1 3.84Å; I34-F148 HydrophobicContact CG2-CG 4.44Å; Y35-F148 HydrophobicContact CE2-CD1 4.15Å; Y35-F148 AromaticContact CE2-CE1 3.71Å; Y35-F148 HydrophobicContact CE2-CE1 3.71Å; L58-F148 HydrophobicContact CD1-CE1 3.96Å; L58-F148 HydrophobicContact CD1-CZ 3.61Å; Y61-F148 HydrophobicContact CD1-CZ 4.2Å; Y61-F148 AromaticContact CE1-CE2 3.94Å; Y61-F148 HydrophobicContact CE1-CE2 3.94Å; Y61-F148 AromaticContact CE1-CZ 3.89Å; Y61-F148 HydrophobicContact CE1-CZ 3.89Å; L83-F148 HydrophobicContact CD2-CB 4.27Å; L83-F148 HydrophobicContact CG-CD2 4.41Å; V84-F148 CarbonylContact O-C 3.59Å; V84-F148 WeakPolarHBondContact O-CA 3.29Å; V84-F148 WeakPolarHBondContact O-CB 3.33Å; F148-L150 HydrophobicContact CD2-CG 4.09Å; F148-L150 HydrophobicContact CE2-CD1 4.01Å; F148-L150 HydrophobicContact CE2-CG 3.86Å
149D97.5Very high93.8Very high71 Ų7170.6 Ų70.638%0.3837%0.368SS..EExtended strand (participates in β ladder)trans-122.7143.3169.1-62.9-74.2000109.6L83 V84L83-D149 WeakPolarHBondContact CA-O 3.46Å; V84-D149 HydrophobicContact CB-CB 4.22Å; V84-D149 PolarHBondContact N-O 3.07Å; V84-D149 PolarHBondContact O-N 2.8Å
150L97.9Very high93.6Very high15 Ų1573.1 Ų73.18%0.07938%0.383CS..EExtended strand (participates in β ladder)trans-109.5118.3172-71.5176000109.9I25 Y61 L62 V65 L81 V82 L83 F148I25-L150 HydrophobicContact CD1-CD1 4.06Å; I25-L150 HydrophobicContact CD1-CD2 4.06Å; I25-L150 HydrophobicContact CG1-CD2 4.28Å; I25-L150 HydrophobicContact CG2-CD1 4.47Å; Y61-L150 HydrophobicContact CE1-CD1 3.87Å; L62-L150 HydrophobicContact CD2-CD1 3.83Å; V65-L150 HydrophobicContact CG1-CD1 4.1Å; V65-L150 HydrophobicContact CG2-CD1 4.47Å; L81-L150 HydrophobicContact CD2-CD2 4.39Å; V82-L150 WeakPolarHBondContact O-CA 3.31Å; L83-L150 HydrophobicContact CB-CD2 3.7Å; L83-L150 HydrophobicContact CD1-CD2 4.05Å; L83-L150 HydrophobicContact CG-CD2 3.82Å; F148-L150 HydrophobicContact CD2-CG 4.09Å; F148-L150 HydrophobicContact CE2-CD1 4.01Å; F148-L150 HydrophobicContact CE2-CG 3.86Å
151L97.6Very high93.5Very high16 Ų1673.3 Ų73.38%0.08439%0.385CS..EExtended strand (participates in β ladder)trans-109.6134.5177.3-46.9178.9000109.3L81 V82 V84 Y153 Q170L81-L151 CarbonylContact C-O 3.5Å; L81-L151 WeakPolarHBondContact CA-O 3.19Å; V82-L151 HydrophobicContact CB-CB 4.26Å; V82-L151 PolarHBondContact N-O 3.24Å; V82-L151 PolarHBondContact O-N 3.32Å; V84-L151 HydrophobicContact CG2-CD1 3.79Å; V84-L151 HydrophobicContact CG2-CG 4.1Å; L151-Y153 HydrophobicContact CB-CE2 4.03Å; L151-Y153 HydrophobicContact CD1-CE2 4.48Å; L151-Q170 HydrophobicContact CD1-CB 4Å; L151-Q170 HydrophobicContact CD1-CG 3.86Å
152V97.2Very high93.3Very high26 Ų2675 Ų7516%0.15839%0.394CS..EExtended strand (participates in β ladder)trans-118.8121.4172.4-173.50000108L69 W72 V78 L81 T154 W164L69-V152 HydrophobicContact CD1-CG1 4.08Å; L69-V152 HydrophobicContact CD1-CG2 4.48Å; W72-V152 HydrophobicContact CE3-CB 4.47Å; W72-V152 HydrophobicContact CE3-CG1 3.81Å; W72-V152 HydrophobicContact CZ3-CB 3.88Å; W72-V152 HydrophobicContact CZ3-CG1 3.73Å; W72-V152 HydrophobicContact CZ3-CG2 4.2Å; V78-V152 HydrophobicContact CG1-CG1 3.75Å; V78-V152 HydrophobicContact CG2-CG1 4.45Å; L81-V152 HydrophobicContact CD1-CG2 4.4Å; V152-T154 HydrophobicContact CG1-CG2 4.04Å; V152-W164 HydrophobicContact CB-CZ3 4.22Å; V152-W164 HydrophobicContact CG2-CH2 3.89Å; V152-W164 HydrophobicContact CG2-CZ3 3.82Å
153Y96.6Very high93.2Very high61 Ų6181.7 Ų81.724%0.23942%0.422CS..EExtended strand (participates in β ladder)trans-92.7120176.6-70.8-111.5000107.5Q79 K80 V82 R96 L151 P169Q79-Y153 PolarHBondContact N-O 3.24Å; K80-Y153 HydrophobicContact CD-CD2 4.1Å; K80-Y153 HydrophobicContact CD-CG 4.12Å; K80-Y153 VanDerWaalsContact CE-CD1 3.49Å; K80-Y153 HydrophobicContact CG-CD1 4.39Å; K80-Y153 HydrophobicContact CG-CD2 3.59Å; K80-Y153 HydrophobicContact CG-CE2 4.47Å; K80-Y153 HydrophobicContact CG-CG 3.57Å; K80-Y153 PolarHBondContact N-O 3.16Å; K80-Y153 PolarHBondContact O-N 2.69Å; V82-Y153 HydrophobicContact CG2-CD2 4.13Å; V82-Y153 HydrophobicContact CG2-CE2 3.79Å; R96-Y153 PolarHBondContact NH2-OH 3.42Å; L151-Y153 HydrophobicContact CB-CE2 4.03Å; L151-Y153 HydrophobicContact CD1-CE2 4.48Å; Y153-P169 VanDerWaalsContact OH-CA 3.29Å; Y153-P169 WeakPolarHBondContact OH-CA 3.02Å; Y153-P169 PolarHBondContact OH-O 3.4Å
154T95.7Very high93.5Very high39 Ų3976.2 Ų76.224%0.23939%0.394CS..EExtended strand (participates in β ladder)trans-117.1173.5179610000111.3W72 T77 Q79 V152 L158W72-T154 HydrophobicContact CD2-CG2 4.3Å; W72-T154 HydrophobicContact CE3-CG2 4.12Å; W72-T154 HydrophobicContact CZ3-CG2 4.36Å; T77-T154 CarbonylContact O-C 3.41Å; T77-T154 WeakPolarHBondContact O-CA 3.21Å; T77-T154 WeakPolarHBondContact O-CB 3.42Å; Q79-T154 PolarHBondContact NE2-O 2.91Å; V152-T154 HydrophobicContact CG1-CG2 4.04Å; T154-L158 HydrophobicContact CG2-CD2 3.66Å
155D92.6Very high93.7Very high48 Ų4881.7 Ų81.726%0.25742%0.415SS..  trans-55.8140.6165.6-69-17.8000110.4T77 Q79 K105 D157 L158T77-D155 PolarHBondContact O-N 2.89Å; Q79-D155 PolarHBondContact NE2-OD1 3.26Å; K105-D155 IonicContact NZ-OD2 2.83Å; D155-D157 PolarHBondContact O-N 3.42Å; D155-D157 VanDerWaalsContact O-N 3.16Å; D155-L158 WeakPolarHBondContact O-CB 3.4Å; D155-L158 PolarHBondContact O-N 3.27Å
156K88.3Confident93.6Very high204 Ų20486.2 Ų86.289%0.88743%0.428SS*.THydrogen-bonded Turntrans-61.9-25.5-170.9-69.4-174.2177.3-175.90114.3L158K156-L158 VanDerWaalsContact C-N 3.33Å
157D89.4Confident93.4Very high162 Ų16289 Ų8987%0.86645%0.447SS*.THydrogen-bonded Turntrans-93.86-174.1-50.7-39000112.1D155D155-D157 PolarHBondContact O-N 3.42Å; D155-D157 VanDerWaalsContact O-N 3.16Å
158L90.8Very high93.1Very high48 Ų4889.2 Ų89.225%0.25145%0.453SS..PPolyproline II helixtrans-74.6130178.5-168.673.7000110.4W72 T77 T154 D155 K156 V160W72-L158 HydrophobicContact CD2-CD2 4.31Å; W72-L158 HydrophobicContact CG-CD2 4.3Å; W72-L158 HydrophobicContact CZ2-CD2 4.35Å; T77-L158 HydrophobicContact CG2-CD1 4.14Å; T154-L158 HydrophobicContact CG2-CD2 3.66Å; D155-L158 WeakPolarHBondContact O-CB 3.4Å; D155-L158 PolarHBondContact O-N 3.27Å; K156-L158 VanDerWaalsContact C-N 3.33Å; L158-V160 PolarHBondContact O-N 2.84Å
159E90.2Very high92.5Very high175 Ų17591.3 Ų91.382%0.81847%0.469SS*.PPolyproline II helixtrans-66.4128.1174-170.4174.6-172.200110.5P161E159-P161 VanDerWaalsContact O-CD 3.32Å; E159-P161 WeakPolarHBondContact O-CD 3.45Å
160V90.9Very high92.2Very high65 Ų6591.2 Ų91.239%0.39447%0.467SS..PPolyproline II helixtrans-76.7117.6179.7-177.10000108.8L158 W164 E166L158-V160 PolarHBondContact O-N 2.84Å; V160-W164 HydrophobicContact CG1-CB 3.76Å; V160-W164 WeakPolarHBondContact CG1-O 3.04Å; V160-E166 HydrophobicContact CG2-CG 4.23Å
161P91.8Very high91.7Very high37 Ų3796.1 Ų96.124%0.2449%0.492CS..PPolyproline II helixtrans-66.5154.2-179.9-17.129.3000112.1W72 E159 K163 W164W72-P161 HydrophobicContact CZ2-CG 3.87Å; E159-P161 VanDerWaalsContact O-CD 3.32Å; E159-P161 WeakPolarHBondContact O-CD 3.45Å; P161-K163 PolarHBondContact O-N 2.89Å; P161-W164 WeakPolarHBondContact O-CA 3.14Å; P161-W164 WeakPolarHBondContact O-CB 3.47Å; P161-W164 PolarHBondContact O-N 3.31Å
162D88.4Confident91.3Very high175 Ų17595.9 Ų95.994%0.93649%0.49SS*.THydrogen-bonded Turntrans-49.2-29.4-173.1-64.6-15.9000116.8
163K89.8Confident90.6Very high184 Ų184101 Ų10180%0.852%0.517SS*.THydrogen-bonded Turntrans-95.85.7-178.5-65.1-175.1-179176.60113.7P161P161-K163 PolarHBondContact O-N 2.89Å
164W94Very high90.2Very high63 Ų63105 Ų10524%0.23954%0.538CS..  trans-116.9154.1-179.8-68.377.6000109.4V65 Q68 W72 V152 V160 P161V65-W164 HydrophobicContact CG1-CH2 4.15Å; V65-W164 HydrophobicContact CG2-CH2 4.32Å; V65-W164 HydrophobicContact CG2-CZ2 4.4Å; Q68-W164 HydrophobicContact CB-CZ2 3.75Å; Q68-W164 HydrophobicContact CG-CZ2 3.91Å; W72-W164 AromaticContact CH2-CD2 3.66Å; W72-W164 HydrophobicContact CH2-CD2 3.66Å; W72-W164 AromaticContact CH2-CE2 3.73Å; W72-W164 AromaticContact CH2-CE3 3.73Å; W72-W164 HydrophobicContact CH2-CE3 3.73Å; W72-W164 HydrophobicContact CH2-CG 4.29Å; W72-W164 AromaticContact CH2-CH2 3.93Å; W72-W164 HydrophobicContact CH2-CH2 3.93Å; W72-W164 AromaticContact CH2-CZ2 3.88Å; W72-W164 HydrophobicContact CH2-CZ2 3.88Å; W72-W164 AromaticContact CH2-CZ3 3.87Å; W72-W164 HydrophobicContact CH2-CZ3 3.87Å; W72-W164 HydrophobicContact CZ3-CD2 4.44Å; W72-W164 HydrophobicContact CZ3-CE3 4.23Å; W72-W164 AromaticContact CZ3-CH2 3.72Å; W72-W164 HydrophobicContact CZ3-CH2 3.72Å; W72-W164 AromaticContact CZ3-CZ2 3.97Å; W72-W164 HydrophobicContact CZ3-CZ2 3.97Å; W72-W164 AromaticContact CZ3-CZ3 3.87Å; W72-W164 HydrophobicContact CZ3-CZ3 3.87Å; V152-W164 HydrophobicContact CB-CZ3 4.22Å; V152-W164 HydrophobicContact CG2-CH2 3.89Å; V152-W164 HydrophobicContact CG2-CZ3 3.82Å; V160-W164 HydrophobicContact CG1-CB 3.76Å; V160-W164 WeakPolarHBondContact CG1-O 3.04Å; P161-W164 WeakPolarHBondContact O-CA 3.14Å; P161-W164 WeakPolarHBondContact O-CB 3.47Å; P161-W164 PolarHBondContact O-N 3.31Å
165E93.5Very high90Very high169 Ų169105.6 Ų105.679%0.7954%0.544SS*.  trans-137.2154.3177.162-178.4-163.500109.9
166E91.8Very high90.1Very high174 Ų174107 Ų10781%0.81355%0.549SS*.  trans-69.7136.9170.3-65.5-171.316300109.8V160V160-E166 HydrophobicContact CG2-CG 4.23Å
167S92.4Very high90.4Very high75 Ų75101.7 Ų101.752%0.52453%0.527SS..  trans-130154.7-178.5-171.90000111.4
168G90.4Very high90.7Very high39 Ų3996 Ų9640%0.40250%0.498SS..  trans-65.7165.8172.200000112.2Q170G168-Q170 VanDerWaalsContact C-N 3.32Å; G168-Q170 PolarHBondContact O-N 2.65Å
169P86.5Confident91.1Very high71 Ų71102.3 Ų102.346%0.46152%0.519SS..  trans-75-17.4-170.230-36.3000114.2R96 Y153 I171R96-P169 PolarHBondContact NH1-O 3.43Å; R96-P169 PolarHBondContact NH2-O 3.1Å; Y153-P169 VanDerWaalsContact OH-CA 3.29Å; Y153-P169 WeakPolarHBondContact OH-CA 3.02Å; Y153-P169 PolarHBondContact OH-O 3.4Å; P169-I171 HydrophobicContact CB-CD1 4.05Å; P169-I171 HydrophobicContact CB-CG1 3.87Å; P169-I171 HydrophobicContact CG-CD1 4.02Å; P169-I171 HydrophobicContact CG-CG1 4.06Å
170Q90.6Very high91.4Very high70 Ų7095 Ų9533%0.32749%0.485SS..  trans52.155.5-179.2-54.7-64.9-1.500113.6V84 V93 R96 L151 G168V84-Q170 HydrophobicContact CG1-CB 3.97Å; V84-Q170 HydrophobicContact CG2-CB 3.86Å; V84-Q170 HydrophobicContact CG2-CG 4.37Å; V93-Q170 HydrophobicContact CG2-CB 4.49Å; R96-Q170 PolarHBondContact NH1-O 2.94Å; L151-Q170 HydrophobicContact CD1-CB 4Å; L151-Q170 HydrophobicContact CD1-CG 3.86Å; G168-Q170 VanDerWaalsContact C-N 3.32Å; G168-Q170 PolarHBondContact O-N 2.65Å
171I88.2Confident91.7Very high117 Ų11798.9 Ų98.960%0.649%0.493SS*.PPolyproline II helixtrans-83.2149.8-177.1-56.3175.6000109.7P169P169-I171 HydrophobicContact CB-CD1 4.05Å; P169-I171 HydrophobicContact CB-CG1 3.87Å; P169-I171 HydrophobicContact CG-CD1 4.02Å; P169-I171 HydrophobicContact CG-CG1 4.06Å
172I88.2Confident91.9Very high11 Ų1199.7 Ų99.76%0.05650%0.499CS..PPolyproline II helixtrans-98128.5176-58173.6000108.9V93 R96 T195 K197V93-I172 HydrophobicContact CB-CG1 4.04Å; V93-I172 HydrophobicContact CG1-CD1 3.99Å; V93-I172 HydrophobicContact CG1-CG1 3.48Å; V93-I172 VanDerWaalsContact CG1-CG1 3.48Å; R96-I172 HydrophobicContact CB-CD1 3.6Å; R96-I172 HydrophobicContact CB-CG1 4.24Å; I172-T195 HydrophobicContact CB-CG2 4.36Å; I172-T195 HydrophobicContact CD1-CG2 4.17Å; I172-T195 VanDerWaalsContact CD1-O 3.29Å; I172-T195 WeakPolarHBondContact CD1-O 3.26Å; I172-K197 HydrophobicContact CG2-CB 3.8Å; I172-K197 HydrophobicContact CG2-CG 4.35Å
173D83.1Confident92.4Very high135 Ų13591.5 Ų91.572%0.72246%0.455SS*.SBendtrans-83.9148168.7-68-38.6000110.7S175D173-S175 PolarHBondContact O-N 2.86Å
174Q86.9Confident92.8Very high145 Ų14584.7 Ų84.768%0.67843%0.429SS*.SBendtrans53.249.2177.8-59179.7-45.200114.1R198Q174-R198 WeakPolarHBondContact O-CG 3.49Å; Q174-R198 PolarHBondContact O-N 2.83Å
175S91.4Very high92.9Very high51 Ų5181.7 Ų81.736%0.35742%0.417SS..EExtended strand (participates in β ladder)trans-99.1160.2-175.261.90000114.9D173 T195 Y196D173-S175 PolarHBondContact O-N 2.86Å; S175-T195 WeakPolarHBondContact OG-CG2 3.38Å; S175-Y196 CarbonylContact C-O 3.55Å; S175-Y196 WeakPolarHBondContact CA-O 3.35Å; S175-Y196 WeakPolarHBondContact CB-O 3.3Å
176E94.6Very high93Very high77 Ų7775.8 Ų75.836%0.3640%0.395SS..EExtended strand (participates in β ladder)trans-109.5155.8161-78.1172.4-171.200110.3T195 Y196 R198E176-T195 CarbonylContact O-C 3.6Å; E176-T195 VanDerWaalsContact O-CA 3.29Å; E176-T195 WeakPolarHBondContact O-CA 3.32Å; E176-Y196 HydrophobicContact CB-CD1 4.4Å; E176-Y196 HydrophobicContact CB-CE1 3.7Å; E176-Y196 HydrophobicContact CB-CE2 4Å; E176-Y196 VanDerWaalsContact CB-CZ 3.49Å; E176-Y196 PolarHBondContact N-O 3.41Å; E176-Y196 WeakPolarHBondContact O-CD1 3.41Å; E176-Y196 PolarHBondContact O-N 2.73Å; E176-Y196 PolarHBondContact OE2-OH 3.26Å; E176-R198 HydrophobicContact CB-CG 4.41Å; E176-R198 HydrophobicContact CG-CG 3.72Å; E176-R198 WeakPolarHBondContact OE1-CD 3.46Å; E176-R198 IonicContact OE1-CZ 3.53Å; E176-R198 IonicContact OE1-NE 2.77Å; E176-R198 PolarHBondContact OE1-NE 2.79Å; E176-R198 IonicContact OE1-NH2 3.73Å
177E95.6Very high93.2Very high92 Ų9267.8 Ų67.843%0.4336%0.358SS..EExtended strand (participates in β ladder)trans-122.4130.8-178.5-176.3-174.3100.500110.5R179 M193 V194E177-R179 HydrophobicContact CG-CG 4.48Å; E177-R179 WeakPolarHBondContact OE1-CG 3.35Å; E177-R179 IonicContact OE1-CZ 3.24Å; E177-R179 VanDerWaalsContact OE1-CZ 3.24Å; E177-R179 IonicContact OE1-NE 2.72Å; E177-R179 PolarHBondContact OE1-NE 2.7Å; E177-R179 IonicContact OE1-NH2 2.93Å; E177-R179 PolarHBondContact OE1-NH2 3.09Å; E177-R179 IonicContact OE2-NH2 3.9Å; E177-M193 HydrophobicContact CG-CB 4.38Å; E177-M193 HydrophobicContact CG-SD 4.11Å; E177-V194 WeakPolarHBondContact CA-O 3.42Å
178V96.7Very high93.5Very high44 Ų4464.3 Ų64.327%0.26733%0.333SS..EExtended strand (participates in β ladder)trans-110.4120166.3-174.40000108.9T135 L180 M193 V194 Y196T135-V178 HydrophobicContact CG2-CB 4.22Å; T135-V178 HydrophobicContact CG2-CG1 4.08Å; T135-V178 HydrophobicContact CG2-CG2 4.49Å; V178-L180 HydrophobicContact CG1-CD1 4.39Å; V178-L180 WeakPolarHBondContact O-CD1 3.38Å; V178-M193 CarbonylContact O-C 3.5Å; V178-M193 VanDerWaalsContact O-CA 3.26Å; V178-M193 WeakPolarHBondContact O-CA 3.38Å; V178-M193 WeakPolarHBondContact O-CB 3.34Å; V178-V194 HydrophobicContact CB-CG1 3.95Å; V178-V194 HydrophobicContact CG2-CG1 4.45Å; V178-V194 PolarHBondContact N-O 3.16Å; V178-V194 PolarHBondContact O-N 2.99Å; V178-Y196 HydrophobicContact CG2-CE1 3.83Å
179R97.1Very high93.9Very high180 Ų18065.7 Ų65.768%0.67933%0.328SS*.EExtended strand (participates in β ladder)trans-86.2130.1171.3-66-173.6178.9-122.1-14.6110.6E177 M193E177-R179 HydrophobicContact CG-CG 4.48Å; E177-R179 WeakPolarHBondContact OE1-CG 3.35Å; E177-R179 IonicContact OE1-CZ 3.24Å; E177-R179 VanDerWaalsContact OE1-CZ 3.24Å; E177-R179 IonicContact OE1-NE 2.72Å; E177-R179 PolarHBondContact OE1-NE 2.7Å; E177-R179 IonicContact OE1-NH2 2.93Å; E177-R179 PolarHBondContact OE1-NH2 3.09Å; E177-R179 IonicContact OE2-NH2 3.9Å; R179-M193 HydrophobicContact CG-CB 4.46Å
180L97.3Very high94.5Very high20 Ų2062.3 Ų62.311%0.10531%0.306CS..PPolyproline II helixtrans-98.2171.9173.3-72.675.4000109.2W97 Q131 I132 T135 V178 S192 V194W97-L180 HydrophobicContact CZ3-CD2 4.39Å; Q131-L180 HydrophobicContact CB-CD2 3.92Å; Q131-L180 HydrophobicContact CB-CG 4.24Å; I132-L180 HydrophobicContact CB-CD2 4.43Å; I132-L180 HydrophobicContact CG1-CD2 3.74Å; T135-L180 HydrophobicContact CG2-CD1 4.41Å; V178-L180 HydrophobicContact CG1-CD1 4.39Å; V178-L180 WeakPolarHBondContact O-CD1 3.38Å; L180-S192 PolarHBondContact N-O 3.24Å; L180-V194 HydrophobicContact CD1-CG1 4.42Å
181R96.4Very high94.9Very high148 Ų14860.9 Ų60.956%0.55830%0.301SS*.PPolyproline II helixtrans-61.6151.3171.2-73.8170.5-174.6-145.8-4.2110.3S127 V128 Q131S127-R181 WeakPolarHBondContact OG-CD 3.38Å; S127-R181 PolarHBondContact OG-NH1 3.5Å; V128-R181 HydrophobicContact CG2-CB 4.22Å; V128-R181 WeakPolarHBondContact CG2-O 3.48Å; Q131-R181 VanDerWaalsContact NE2-NE 3.16Å; Q131-R181 VanDerWaalsContact OE1-CB 3.3Å; Q131-R181 VanDerWaalsContact OE1-CG 3.25Å
182S97.9Very high95.3Very high54 Ų5455.6 Ų55.638%0.37827%0.274SS..PPolyproline II helixtrans-94.8159.9166.859.50000110.9V190S182-V190 WeakPolarHBondContact CA-O 2.9Å; S182-V190 WeakPolarHBondContact CB-O 2.95Å
183F98.5Very high95.8Very high2 Ų255.6 Ų55.61%0.00927%0.274CS..EExtended strand (participates in β ladder)trans-126.1160.3161.574.1-86.2000109.9V17 F20 E124 I125 V128 K189 V190V17-F183 HydrophobicContact CG2-CE2 4.04Å; V17-F183 HydrophobicContact CG2-CZ 4.24Å; F20-F183 HydrophobicContact CB-CE1 4.31Å; F20-F183 HydrophobicContact CB-CZ 3.89Å; F20-F183 AromaticContact CD1-CE1 3.5Å; F20-F183 HydrophobicContact CD1-CE1 3.5Å; F20-F183 AromaticContact CD1-CZ 3.68Å; F20-F183 HydrophobicContact CD1-CZ 3.68Å; F20-F183 AromaticContact CD2-CE1 3.84Å; F20-F183 HydrophobicContact CD2-CE1 3.84Å; F20-F183 HydrophobicContact CD2-CZ 4.28Å; F20-F183 AromaticContact CE1-CE1 3.67Å; F20-F183 HydrophobicContact CE1-CE1 3.67Å; F20-F183 HydrophobicContact CE1-CZ 4.29Å; F20-F183 AromaticContact CE2-CE1 3.97Å; F20-F183 HydrophobicContact CE2-CE1 3.97Å; F20-F183 AromaticContact CG-CE1 3.58Å; F20-F183 HydrophobicContact CG-CE1 3.58Å; F20-F183 AromaticContact CG-CZ 3.66Å; F20-F183 HydrophobicContact CG-CZ 3.66Å; F20-F183 AromaticContact CZ-CE1 3.88Å; F20-F183 HydrophobicContact CZ-CE1 3.88Å; E124-F183 HydrophobicContact CB-CB 3.53Å; E124-F183 WeakPolarHBondContact OE2-CA 3.47Å; I125-F183 HydrophobicContact CD1-CD2 4.18Å; I125-F183 HydrophobicContact CD1-CE2 3.95Å; I125-F183 HydrophobicContact CD1-CZ 4.44Å; I125-F183 HydrophobicContact CG1-CB 4.47Å; I125-F183 HydrophobicContact CG1-CD1 4.17Å; I125-F183 HydrophobicContact CG1-CD2 3.58Å; I125-F183 HydrophobicContact CG1-CE1 4.26Å; I125-F183 HydrophobicContact CG1-CE2 3.7Å; I125-F183 HydrophobicContact CG1-CG 3.82Å; I125-F183 HydrophobicContact CG1-CZ 4.04Å; V128-F183 HydrophobicContact CG2-CB 4.34Å; V128-F183 HydrophobicContact CG2-CD1 4.13Å; F183-K189 WeakPolarHBondContact O-CA 3.49Å; F183-V190 HydrophobicContact CD1-CB 3.97Å; F183-V190 HydrophobicContact CE1-CB 3.5Å; F183-V190 VanDerWaalsContact CE1-CB 3.5Å; F183-V190 HydrophobicContact CE1-CG1 3.98Å; F183-V190 HydrophobicContact CE1-CG2 3.74Å; F183-V190 HydrophobicContact CE2-CG2 4.18Å; F183-V190 HydrophobicContact CZ-CB 3.87Å; F183-V190 HydrophobicContact CZ-CG2 3.53Å; F183-V190 PolarHBondContact N-O 2.84Å; F183-V190 VanDerWaalsContact N-O 3.16Å; F183-V190 PolarHBondContact O-N 3.03Å
184T98.1Very high96.5Very high41 Ų4149.2 Ų49.225%0.25224%0.24SC..EExtended strand (participates in β ladder)trans-139.5145.3174.5-177.80000112.3K116 E124 S186 H188K116-T184 WeakPolarHBondContact CE-O 3.29Å; K116-T184 VanDerWaalsContact NZ-CG2 3.31Å; K116-T184 PolarHBondContact NZ-O 2.83Å; E124-T184 PolarHBondContact OE2-N 2.9Å; T184-S186 VanDerWaalsContact C-N 3.31Å; T184-S186 PolarHBondContact OG1-N 3.1Å; T184-H188 CarbonylContact C-O 3.44Å; T184-H188 WeakPolarHBondContact CA-O 3.5Å; T184-H188 WeakPolarHBondContact CB-O 3.5Å; T184-H188 PolarHBondContact OG1-O 3.18Å
185T96.7Very high97Very high0 Ų043.1 Ų43.10%021%0.213CC..  trans-91.86.4167.665.40000111.7I8 S13 V17 I121 I187 H188I8-T185 WeakPolarHBondContact CG2-O 3.46Å; S13-T185 WeakPolarHBondContact CB-OG1 3.35Å; S13-T185 WeakPolarHBondContact OG-CB 3.34Å; S13-T185 WeakPolarHBondContact OG-CG2 3.21Å; S13-T185 PolarHBondContact OG-OG1 2.73Å; V17-T185 HydrophobicContact CG2-CG2 4.07Å; I121-T185 HydrophobicContact CD1-CG2 4.38Å; I121-T185 HydrophobicContact CG2-CG2 4.04Å; T185-I187 PolarHBondContact O-N 3.17Å; T185-I187 PolarHBondContact OG1-N 3.3Å; T185-H188 PolarHBondContact N-O 3.07Å; T185-H188 PolarHBondContact OG1-N 3.35Å; T185-H188 PolarHBondContact OG1-O 3.33Å
186S94.9Very high97.2Very high45 Ų4542.1 Ų42.132%0.31520%0.201SC..SBendtrans67.3-8.4-163.173.90000116.1R114 T184R114-S186 WeakPolarHBondContact CB-OG 3.45Å; T184-S186 VanDerWaalsContact C-N 3.31Å; T184-S186 PolarHBondContact OG1-N 3.1Å
187I96.3Very high97.1Very high7 Ų741 Ų414%0.03620%0.195CC..SBendtrans-110.2-50.5171.7-61.4176000109.3L10 C103 D104 A107 R114 T185L10-I187 HydrophobicContact CB-CD1 4.41Å; L10-I187 HydrophobicContact CD1-CG2 3.62Å; C103-I187 WeakPolarHBondContact CA-O 3.28Å; D104-I187 PolarHBondContact N-O 2.82Å; A107-I187 HydrophobicContact CB-CD1 4.17Å; A107-I187 HydrophobicContact CB-CG1 4.16Å; A107-I187 HydrophobicContact CB-CG2 3.71Å; R114-I187 HydrophobicContact CB-CG1 4.46Å; R114-I187 HydrophobicContact CG-CD1 4Å; R114-I187 HydrophobicContact CG-CG1 3.61Å; T185-I187 PolarHBondContact O-N 3.17Å; T185-I187 PolarHBondContact OG1-N 3.3Å
188H98.2Very high96.7Very high1 Ų142.9 Ų42.91%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-105.8142173-69.885.5000109.7S13 V17 L73 E102 T184 T185S13-H188 PolarHBondContact OG-ND1 2.93Å; V17-H188 HydrophobicContact CG2-CB 3.82Å; L73-H188 PolarHBondContact O-CE1 2.84Å; L73-H188 VanDerWaalsContact O-CE1 3.25Å; L73-H188 PolarHBondContact O-NE2 2.97Å; E102-H188 CarbonylContact O-C 3.58Å; E102-H188 VanDerWaalsContact O-CA 3.27Å; E102-H188 WeakPolarHBondContact O-CA 3.29Å; T184-H188 CarbonylContact C-O 3.44Å; T184-H188 WeakPolarHBondContact CA-O 3.5Å; T184-H188 WeakPolarHBondContact CB-O 3.5Å; T184-H188 PolarHBondContact OG1-O 3.18Å; T185-H188 PolarHBondContact N-O 3.07Å; T185-H188 PolarHBondContact OG1-N 3.35Å; T185-H188 PolarHBondContact OG1-O 3.33Å
189K98.5Very high95.8Very high69 Ų6945.4 Ų45.430%0.321%0.214SC..EExtended strand (participates in β ladder)trans-124.6129.1167.6175.9-179.6164.4-129.60108.1I101 E102 F183 N191I101-K189 WeakPolarHBondContact CA-O 3.17Å; E102-K189 HydrophobicContact CB-CB 4.29Å; E102-K189 PolarHBondContact N-O 3.35Å; E102-K189 PolarHBondContact O-N 2.89Å; E102-K189 IonicContact OE1-NZ 3.14Å; E102-K189 PolarHBondContact OE1-NZ 3.2Å; E102-K189 IonicContact OE2-NZ 3.71Å; E102-K189 PolarHBondContact OE2-NZ 3.34Å; F183-K189 WeakPolarHBondContact O-CA 3.49Å; K189-N191 WeakPolarHBondContact CE-OD1 3.47Å; K189-N191 PolarHBondContact NZ-OD1 2.86Å
190V98.7Very high94.1Very high0 Ų043.6 Ų43.60%022%0.218CC..EExtended strand (participates in β ladder)trans-112.7115.7180-175.90000108.1V17 F20 F21 F99 D100 I101 S182 F183V17-V190 HydrophobicContact CG1-CG2 3.9Å; V17-V190 HydrophobicContact CG2-CG2 4.32Å; F20-V190 HydrophobicContact CE1-CG1 4.12Å; F21-V190 HydrophobicContact CZ-CG1 4.22Å; F99-V190 HydrophobicContact CB-CG1 4.1Å; F99-V190 HydrophobicContact CD1-CG1 4.28Å; D100-V190 CarbonylContact O-C 3.57Å; D100-V190 WeakPolarHBondContact O-CA 3.23Å; I101-V190 HydrophobicContact CG1-CG2 4.38Å; S182-V190 WeakPolarHBondContact CA-O 2.9Å; S182-V190 WeakPolarHBondContact CB-O 2.95Å; F183-V190 HydrophobicContact CD1-CB 3.97Å; F183-V190 HydrophobicContact CE1-CB 3.5Å; F183-V190 VanDerWaalsContact CE1-CB 3.5Å; F183-V190 HydrophobicContact CE1-CG1 3.98Å; F183-V190 HydrophobicContact CE1-CG2 3.74Å; F183-V190 HydrophobicContact CE2-CG2 4.18Å; F183-V190 HydrophobicContact CZ-CB 3.87Å; F183-V190 HydrophobicContact CZ-CG2 3.53Å; F183-V190 PolarHBondContact N-O 2.84Å; F183-V190 VanDerWaalsContact N-O 3.16Å; F183-V190 PolarHBondContact O-N 3.03Å
191N98.6Very high91.7Very high40 Ų4047.6 Ų47.621%0.21425%0.248CC..EExtended strand (participates in β ladder)trans-96.3133.4171.1-51.1-78.2000108.4F99 D100 E102 K189F99-N191 CarbonylContact C-O 3.57Å; F99-N191 VanDerWaalsContact CA-O 3.25Å; F99-N191 WeakPolarHBondContact CA-O 3.43Å; D100-N191 HydrophobicContact CB-CB 4.33Å; D100-N191 PolarHBondContact N-O 3.43Å; D100-N191 PolarHBondContact O-N 3.1Å; E102-N191 PolarHBondContact OE1-ND2 3.02Å; K189-N191 WeakPolarHBondContact CE-OD1 3.47Å; K189-N191 PolarHBondContact NZ-OD1 2.86Å
192S98.3Very high88.9Confident5 Ų548.8 Ų48.84%0.03529%0.289CS..EExtended strand (participates in β ladder)trans-115.7137.7-174.9-52.20000110.1F99 L180F99-S192 WeakPolarHBondContact CD1-OG 3.4Å; L180-S192 PolarHBondContact N-O 3.24Å
193M97.9Very high88.4Confident12 Ų1248.6 Ų48.66%0.05929%0.285CS..EExtended strand (participates in β ladder)trans-149.4159.817263.5169.768.900110.7W97 Q98 E177 V178 R179W97-M193 CarbonylContact C-O 3.5Å; Q98-M193 HydrophobicContact CB-CG 3.84Å; Q98-M193 HydrophobicContact CB-SD 4.4Å; Q98-M193 HydrophobicContact CG-CG 4.4Å; Q98-M193 PolarHBondContact N-O 3.11Å; Q98-M193 PolarHBondContact O-N 2.59Å; E177-M193 HydrophobicContact CG-CB 4.38Å; E177-M193 HydrophobicContact CG-SD 4.11Å; V178-M193 CarbonylContact O-C 3.5Å; V178-M193 VanDerWaalsContact O-CA 3.26Å; V178-M193 WeakPolarHBondContact O-CA 3.38Å; V178-M193 WeakPolarHBondContact O-CB 3.34Å; R179-M193 HydrophobicContact CG-CB 4.46Å
194V98.1Very high87.9Confident0 Ų051 Ų510%030%0.299CS..EExtended strand (participates in β ladder)trans-124.2128165.859.60000108.9E95 R96 W97 T135 L139 E177 V178 L180E95-V194 HydrophobicContact CB-CG2 4.48Å; R96-V194 WeakPolarHBondContact O-CA 2.95Å; W97-V194 HydrophobicContact CD2-CB 3.81Å; W97-V194 HydrophobicContact CD2-CG2 3.73Å; W97-V194 HydrophobicContact CE3-CB 3.83Å; W97-V194 HydrophobicContact CE3-CG2 4.28Å; W97-V194 HydrophobicContact CG-CB 4.33Å; W97-V194 HydrophobicContact CG-CG2 3.99Å; W97-V194 HydrophobicContact CH2-CB 4.31Å; W97-V194 HydrophobicContact CH2-CG1 4.3Å; W97-V194 HydrophobicContact CZ2-CB 4.28Å; W97-V194 HydrophobicContact CZ2-CG2 4.03Å; W97-V194 HydrophobicContact CZ3-CB 4.08Å; W97-V194 HydrophobicContact CZ3-CG1 4.31Å; T135-V194 HydrophobicContact CG2-CG1 3.58Å; L139-V194 HydrophobicContact CD1-CG1 4.49Å; L139-V194 HydrophobicContact CD1-CG2 4.33Å; L139-V194 HydrophobicContact CD2-CG1 4.12Å; E177-V194 WeakPolarHBondContact CA-O 3.42Å; V178-V194 HydrophobicContact CB-CG1 3.95Å; V178-V194 HydrophobicContact CG2-CG1 4.45Å; V178-V194 PolarHBondContact N-O 3.16Å; V178-V194 PolarHBondContact O-N 2.99Å; L180-V194 HydrophobicContact CD1-CG1 4.42Å
195T97.2Very high87.3Confident18 Ų1851.6 Ų51.611%0.1130%0.302CS..EExtended strand (participates in β ladder)trans-97.6130.1165.2-560000107.3E95 R96 I172 S175 E176E95-T195 CarbonylContact C-O 3.57Å; E95-T195 WeakPolarHBondContact CA-O 3.29Å; R96-T195 PolarHBondContact N-O 3.37Å; R96-T195 PolarHBondContact O-N 3.29Å; I172-T195 HydrophobicContact CB-CG2 4.36Å; I172-T195 HydrophobicContact CD1-CG2 4.17Å; I172-T195 VanDerWaalsContact CD1-O 3.29Å; I172-T195 WeakPolarHBondContact CD1-O 3.26Å; S175-T195 WeakPolarHBondContact OG-CG2 3.38Å; E176-T195 CarbonylContact O-C 3.6Å; E176-T195 VanDerWaalsContact O-CA 3.29Å; E176-T195 WeakPolarHBondContact O-CA 3.32Å
196Y96.2Very high86.8Confident29 Ų2954.6 Ų54.611%0.11432%0.32CS..EExtended strand (participates in β ladder)trans-132146178.964-81000110.4L94 L139 P140 S175 E176 V178L94-Y196 CarbonylContact O-C 3.46Å; L94-Y196 WeakPolarHBondContact O-CA 3.46Å; L139-Y196 HydrophobicContact CD2-CD1 3.47Å; L139-Y196 VanDerWaalsContact CD2-CD1 3.47Å; L139-Y196 HydrophobicContact CD2-CD2 4.42Å; L139-Y196 HydrophobicContact CD2-CE1 3.86Å; L139-Y196 HydrophobicContact CD2-CG 3.78Å; P140-Y196 VanDerWaalsContact CD-CD2 3.48Å; P140-Y196 HydrophobicContact CG-CD2 3.89Å; P140-Y196 HydrophobicContact CG-CE2 4.12Å; S175-Y196 CarbonylContact C-O 3.55Å; S175-Y196 WeakPolarHBondContact CA-O 3.35Å; S175-Y196 WeakPolarHBondContact CB-O 3.3Å; E176-Y196 HydrophobicContact CB-CD1 4.4Å; E176-Y196 HydrophobicContact CB-CE1 3.7Å; E176-Y196 HydrophobicContact CB-CE2 4Å; E176-Y196 VanDerWaalsContact CB-CZ 3.49Å; E176-Y196 PolarHBondContact N-O 3.41Å; E176-Y196 WeakPolarHBondContact O-CD1 3.41Å; E176-Y196 PolarHBondContact O-N 2.73Å; E176-Y196 PolarHBondContact OE2-OH 3.26Å; V178-Y196 HydrophobicContact CG2-CE1 3.83Å
197K92.6Very high86.2Confident55 Ų5555.2 Ų55.224%0.23932%0.32CS..EExtended strand (participates in β ladder)trans-67.2133177-173.8176.6167.3-173.30109.4E92 L94 I172 T199E92-K197 HydrophobicContact CG-CD 4.23Å; E92-K197 WeakPolarHBondContact OE1-CE 3.08Å; E92-K197 IonicContact OE1-NZ 2.56Å; E92-K197 PolarHBondContact OE1-NZ 3.22Å; E92-K197 IonicContact OE2-NZ 2.74Å; E92-K197 PolarHBondContact OE2-NZ 2.82Å; L94-K197 PolarHBondContact O-N 3.24Å; I172-K197 HydrophobicContact CG2-CB 3.8Å; I172-K197 HydrophobicContact CG2-CG 4.35Å; K197-T199 PolarHBondContact O-N 2.93Å
198R86.9Confident85.6Confident130 Ų13058.4 Ų58.449%0.49134%0.339SS..PPolyproline II helixtrans-67.2130.8172-64.1178.882.4-152.4-8.9108.6Q174 E176 D200Q174-R198 WeakPolarHBondContact O-CG 3.49Å; Q174-R198 PolarHBondContact O-N 2.83Å; E176-R198 HydrophobicContact CB-CG 4.41Å; E176-R198 HydrophobicContact CG-CG 3.72Å; E176-R198 WeakPolarHBondContact OE1-CD 3.46Å; E176-R198 IonicContact OE1-CZ 3.53Å; E176-R198 IonicContact OE1-NE 2.77Å; E176-R198 PolarHBondContact OE1-NE 2.79Å; E176-R198 IonicContact OE1-NH2 3.73Å; R198-D200 PolarHBondContact O-N 3.21Å
199T77.6Confident84.7Confident97 Ų9762.5 Ų62.560%0.59536%0.363SS*.PPolyproline II helixtrans-76119161.844.40000106.8P140 K197 S201P140-T199 HydrophobicContact CB-CG2 3.96Å; P140-T199 HydrophobicContact CG-CG2 4.33Å; K197-T199 PolarHBondContact O-N 2.93Å; T199-S201 PolarHBondContact O-N 3.37Å
200D60.9Low83.6Confident142 Ų14262 Ų6276%0.75937%0.368SS*.  trans-54.8113.9170.6-78.7-30.2000107.1R198 A202R198-D200 PolarHBondContact O-N 3.21Å; D200-A202 PolarHBondContact O-N 3.35Å; D200-A202 VanDerWaalsContact O-N 3.17Å
201S47.8Very low82.3Confident105 Ų10567.2 Ų67.273%0.73440%0.398SS*.  trans-65.7116.5175.8-41.60000106.3T199T199-S201 PolarHBondContact O-N 3.37Å
202A36Very low80.9Confident173 Ų17369.6 Ų69.6100%1.4342%0.415SS*.  trans-57.9016500000110.8D200D200-A202 PolarHBondContact O-N 3.35Å; D200-A202 VanDerWaalsContact O-N 3.17Å

Retrieved 202 of 202 residues in 1033.7 ms (Link to these results)

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