A0A096N686_PAPAN Loading...

Latexin

Hardly reversible, non-competitive, and potent inhibitor of CPA1, CPA2 and CPA4. May play a role in inflammation.

AlphaFold DB (A0A2K5WLX9), UniProt , Accession A0A096N686, Species PAPAN (Papio anubis, Olive baboon), Gene LXN, Length 222 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
1M92.3Very high96.3Very high165 Ų16576.4 Ų76.481%0.81340%0.402SS*.  01240-177.4178.4-73.500108.2S41 M42M1-S41 CarbonylContact O-C 3.6Å; M1-S41 WeakPolarHBondContact O-CA 3.15Å; M1-S41 VanDerWaalsContact O-CB 3.32Å; M1-S41 WeakPolarHBondContact O-CB 3.33Å; M1-M42 PolarHBondContact N-O 2.87Å; M1-M42 PolarHBondContact O-N 3.08Å
2E96.9Very high96.5Very high143 Ų14372.9 Ų72.967%0.66838%0.379SS*.BIsolated β-bridgetrans-64.2139.2172.7-72.6-63.4146.700110.1A40E2-A40 VanDerWaalsContact OE2-O 3.12Å
3I97.6Very high96.7Very high32 Ų3267.3 Ų67.316%0.16435%0.35CS..  trans-126.5150176.362.1171.4000109.7P9 A10 A40 M42 Y52I3-P9 HydrophobicContact CD1-CB 4.28Å; I3-A10 HydrophobicContact CD1-CB 4.18Å; I3-A40 HydrophobicContact CD1-CB 4.1Å; I3-A40 HydrophobicContact CG1-CB 3.67Å; I3-A40 WeakPolarHBondContact CG1-O 3.47Å; I3-A40 PolarHBondContact N-O 3Å; I3-M42 HydrophobicContact CG2-CB 4.42Å; I3-Y52 HydrophobicContact CD1-CD1 3.99Å; I3-Y52 HydrophobicContact CD1-CE1 3.78Å
4P97.4Very high96.8Very high67 Ų6762.5 Ų62.544%0.43533%0.325SS..  trans-59.4128.3178.3-24.133.9000111.1T6 N7P4-T6 PolarHBondContact O-N 2.78Å; P4-T6 VanDerWaalsContact O-N 3.14Å; P4-N7 HydrophobicContact CB-CB 4.37Å; P4-N7 WeakPolarHBondContact CG-ND2 3.31Å; P4-N7 WeakPolarHBondContact O-CB 3.39Å; P4-N7 PolarHBondContact O-N 3.35Å
5P95.6Very high96.9Very high44 Ų4459 Ų5929%0.28631%0.307SS..THydrogen-bonded Turntrans-67.7-17.5-173.726.3-35000113.3V37P5-V37 HydrophobicContact CB-CB 4.19Å; P5-V37 HydrophobicContact CB-CG1 3.84Å; P5-V37 WeakPolarHBondContact O-CB 3.34Å
6T95.4Very high97.1Very high116 Ų11655.4 Ų55.471%0.71229%0.289SS*.THydrogen-bonded Turntrans-90.2-4.7176.554.50000113.4P4P4-T6 PolarHBondContact O-N 2.78Å; P4-T6 VanDerWaalsContact O-N 3.14Å
7N94.4Very high97.2Very high71 Ų7152.2 Ų52.238%0.3827%0.272SS..SBendtrans-76.1151.2178.7-76.74.8000111P4 P9 A10 S11P4-N7 HydrophobicContact CB-CB 4.37Å; P4-N7 WeakPolarHBondContact CG-ND2 3.31Å; P4-N7 WeakPolarHBondContact O-CB 3.39Å; P4-N7 PolarHBondContact O-N 3.35Å; N7-P9 VanDerWaalsContact C-N 3.31Å; N7-P9 VanDerWaalsContact O-N 3.16Å; N7-A10 WeakPolarHBondContact O-CB 3.37Å; N7-A10 PolarHBondContact O-N 3.22Å; N7-S11 PolarHBondContact O-N 3.22Å; N7-S11 PolarHBondContact O-OG 3.47Å
8Y95.9Very high97.3Very high142 Ų14250.2 Ų50.256%0.55726%0.261SS*.Hα-helixtrans-51.8-36.3-178.566.1-93000114.9A10 S11 R12Y8-A10 PolarHBondContact O-N 3.07Å; Y8-S11 PolarHBondContact O-N 2.69Å; Y8-R12 WeakPolarHBondContact O-CB 3.38Å; Y8-R12 VanDerWaalsContact O-CG 3.24Å; Y8-R12 WeakPolarHBondContact O-CG 3.43Å; Y8-R12 PolarHBondContact O-N 3.37Å
9P97.7Very high97.3Very high27 Ų2748.1 Ų48.118%0.17525%0.25CS..Hα-helixtrans-64.8-40.4178.9-19.533.6000112.1I3 N7 A13 Y52I3-P9 HydrophobicContact CD1-CB 4.28Å; N7-P9 VanDerWaalsContact C-N 3.31Å; N7-P9 VanDerWaalsContact O-N 3.16Å; P9-A13 WeakPolarHBondContact O-CB 3.36Å; P9-A13 PolarHBondContact O-N 2.99Å; P9-Y52 HydrophobicContact CB-CE1 3.77Å
10A98.4Very high97.4Very high0 Ų048.1 Ų48.10%025%0.247CC..Hα-helixtrans-66.1-42.2177.400000111.3I3 N7 Y8 A14 V37 A40I3-A10 HydrophobicContact CD1-CB 4.18Å; N7-A10 WeakPolarHBondContact O-CB 3.37Å; N7-A10 PolarHBondContact O-N 3.22Å; Y8-A10 PolarHBondContact O-N 3.07Å; A10-A14 VanDerWaalsContact O-CB 3.28Å; A10-A14 WeakPolarHBondContact O-CB 3.31Å; A10-A14 PolarHBondContact O-N 3.18Å; A10-V37 HydrophobicContact CB-CG1 4.4Å; A10-A40 HydrophobicContact CB-CB 3.56Å
11S98.1Very high97.5Very high33 Ų3345.8 Ų45.823%0.23124%0.235CC..Hα-helixtrans-66-43177.1-55.20000112.8N7 Y8 A14 L15N7-S11 PolarHBondContact O-N 3.22Å; N7-S11 PolarHBondContact O-OG 3.47Å; Y8-S11 PolarHBondContact O-N 2.69Å; S11-A14 PolarHBondContact O-N 2.91Å; S11-L15 WeakPolarHBondContact O-CB 3.33Å; S11-L15 PolarHBondContact O-N 2.79Å
12R98.4Very high97.8Very high35 Ų3538.1 Ų38.113%0.13220%0.197CC..Hα-helixtrans-63.5-48.4177.1-71.6174.1-174.3178.2-3.3111.2Y8 A14 L15 V16 E154 T156 W157Y8-R12 WeakPolarHBondContact O-CB 3.38Å; Y8-R12 VanDerWaalsContact O-CG 3.24Å; Y8-R12 WeakPolarHBondContact O-CG 3.43Å; Y8-R12 PolarHBondContact O-N 3.37Å; R12-A14 PolarHBondContact O-N 2.8Å; R12-L15 WeakPolarHBondContact O-CB 3.26Å; R12-L15 PolarHBondContact O-N 2.7Å; R12-V16 PolarHBondContact O-N 3.5Å; R12-E154 VanDerWaalsContact CD-O 3.24Å; R12-E154 WeakPolarHBondContact CD-O 3.48Å; R12-E154 PolarHBondContact NH1-O 3.33Å; R12-T156 WeakPolarHBondContact CD-O 3.22Å; R12-W157 HydrophobicContact CG-CB 4.1Å; R12-W157 HydrophobicContact CG-CD2 4.13Å; R12-W157 HydrophobicContact CG-CG 3.98Å
13A98.6Very high97.9Very high0 Ų033.4 Ų33.40%017%0.174CC..Hα-helixtrans-62.8-41.417700000112.8P9 L15 V16 A17 Y52 L54 V74 Y76P9-A13 WeakPolarHBondContact O-CB 3.36Å; P9-A13 PolarHBondContact O-N 2.99Å; A13-L15 VanDerWaalsContact C-N 3.28Å; A13-L15 PolarHBondContact O-N 2.87Å; A13-V16 PolarHBondContact O-N 2.9Å; A13-A17 PolarHBondContact O-N 2.84Å; A13-Y52 HydrophobicContact CB-CD1 4.06Å; A13-Y52 HydrophobicContact CB-CD2 4.14Å; A13-Y52 HydrophobicContact CB-CG 3.73Å; A13-L54 HydrophobicContact CB-CD1 3.76Å; A13-L54 HydrophobicContact CB-CD2 4.45Å; A13-V74 HydrophobicContact CB-CB 4.49Å; A13-Y76 WeakPolarHBondContact CA-OH 3.36Å; A13-Y76 HydrophobicContact CB-CE2 4.12Å; A13-Y76 PolarHBondContact N-OH 2.89Å
14A98.8Very high97.9Very high0 Ų037.1 Ų37.10%019%0.19CC..Hα-helixtrans-63.4-35.5175.300000112.2A10 S11 R12 A17 Q18 V34 V37 L54 F56A10-A14 VanDerWaalsContact O-CB 3.28Å; A10-A14 WeakPolarHBondContact O-CB 3.31Å; A10-A14 PolarHBondContact O-N 3.18Å; S11-A14 PolarHBondContact O-N 2.91Å; R12-A14 PolarHBondContact O-N 2.8Å; A14-A17 PolarHBondContact O-N 2.92Å; A14-Q18 PolarHBondContact O-N 2.74Å; A14-V34 HydrophobicContact CB-CG1 4.38Å; A14-V34 HydrophobicContact CB-CG2 4.45Å; A14-V37 HydrophobicContact CB-CG2 3.64Å; A14-L54 HydrophobicContact CB-CD1 4.12Å; A14-F56 HydrophobicContact CB-CD1 4.27Å
15L98.6Very high97.9Very high10 Ų1037.1 Ų37.15%0.05219%0.185CC..Hα-helixtrans-68.1-39.1175.2-178.373.5000112.3S11 R12 A13 A17 Q18 N19 Y158 K159S11-L15 WeakPolarHBondContact O-CB 3.33Å; S11-L15 PolarHBondContact O-N 2.79Å; R12-L15 WeakPolarHBondContact O-CB 3.26Å; R12-L15 PolarHBondContact O-N 2.7Å; A13-L15 VanDerWaalsContact C-N 3.28Å; A13-L15 PolarHBondContact O-N 2.87Å; L15-A17 VanDerWaalsContact C-N 3.32Å; L15-Q18 WeakPolarHBondContact O-CB 3.35Å; L15-Q18 PolarHBondContact O-N 3.48Å; L15-N19 PolarHBondContact O-N 3.44Å; L15-N19 PolarHBondContact O-ND2 3.14Å; L15-Y158 VanDerWaalsContact CD2-O 3.32Å; L15-Y158 WeakPolarHBondContact CD2-O 3.45Å; L15-K159 HydrophobicContact CD1-CD 4.17Å; L15-K159 VanDerWaalsContact CD1-NZ 3.31Å; L15-K159 HydrophobicContact CD2-CD 4.42Å
16V98.8Very high98Very high2 Ų235.3 Ų35.31%0.01217%0.174CC..Hα-helixtrans-60.2-45.8172.9173.70000110.2R12 A13 Q18 N19 Y20 V74 Y76 P85 V87 S152R12-V16 PolarHBondContact O-N 3.5Å; A13-V16 PolarHBondContact O-N 2.9Å; V16-Q18 VanDerWaalsContact C-N 3.34Å; V16-Q18 PolarHBondContact O-N 2.83Å; V16-N19 PolarHBondContact O-N 3.32Å; V16-Y20 PolarHBondContact O-N 2.88Å; V16-V74 HydrophobicContact CB-CG1 4.26Å; V16-V74 HydrophobicContact CG1-CG1 3.92Å; V16-Y76 HydrophobicContact CG2-CE1 4.12Å; V16-Y76 VanDerWaalsContact CG2-OH 3.26Å; V16-Y76 WeakPolarHBondContact CG2-OH 3.42Å; V16-P85 HydrophobicContact CG1-CB 4.19Å; V16-P85 HydrophobicContact CG1-CG 4.33Å; V16-V87 HydrophobicContact CG1-CG2 3.99Å; V16-S152 VanDerWaalsContact CG2-CB 3.44Å
17A98.9Very high98.1Very high0 Ų031 Ų310%015%0.148CC..Hα-helixtrans-59.5-42.9174.500000112.3A13 A14 L15 N19 Y20 I21 F56 A72 V74 V87A13-A17 PolarHBondContact O-N 2.84Å; A14-A17 PolarHBondContact O-N 2.92Å; L15-A17 VanDerWaalsContact C-N 3.32Å; A17-N19 PolarHBondContact O-N 2.79Å; A17-Y20 PolarHBondContact O-N 2.94Å; A17-I21 WeakPolarHBondContact O-CB 3.47Å; A17-I21 WeakPolarHBondContact O-CD1 3.41Å; A17-I21 WeakPolarHBondContact O-CG1 3.42Å; A17-I21 PolarHBondContact O-N 2.82Å; A17-F56 HydrophobicContact CB-CE1 4.18Å; A17-F56 HydrophobicContact CB-CZ 3.87Å; A17-A72 HydrophobicContact CB-CB 3.85Å; A17-V74 HydrophobicContact CB-CG2 3.95Å; A17-V87 HydrophobicContact CB-CG1 4.35Å
18Q98.8Very high98.3Very high16 Ų1627.6 Ų27.68%0.07513%0.13CC..Hα-helixtrans-57.6-46.2175.4-172-166.4-62.700112.2A14 L15 V16 I21 N22 F32 V34A14-Q18 PolarHBondContact O-N 2.74Å; L15-Q18 WeakPolarHBondContact O-CB 3.35Å; L15-Q18 PolarHBondContact O-N 3.48Å; V16-Q18 VanDerWaalsContact C-N 3.34Å; V16-Q18 PolarHBondContact O-N 2.83Å; Q18-I21 PolarHBondContact O-N 2.92Å; Q18-N22 WeakPolarHBondContact O-CB 3.22Å; Q18-N22 PolarHBondContact O-N 2.92Å; Q18-N22 PolarHBondContact O-ND2 3.37Å; Q18-F32 VanDerWaalsContact CG-O 3.3Å; Q18-F32 WeakPolarHBondContact CG-O 3.21Å; Q18-F32 PolarHBondContact NE2-O 3.02Å; Q18-V34 HydrophobicContact CB-CG2 3.82Å; Q18-V34 HydrophobicContact CG-CG2 4.11Å
19N98.9Very high98.4Very high11 Ų1122.2 Ų22.26%0.05911%0.11CC..Hα-helixtrans-68.7-38.4-177.7-80.5-72.1000111.8L15 V16 A17 N22 Y23 G145 I148L15-N19 PolarHBondContact O-N 3.44Å; L15-N19 PolarHBondContact O-ND2 3.14Å; V16-N19 PolarHBondContact O-N 3.32Å; A17-N19 PolarHBondContact O-N 2.79Å; N19-N22 PolarHBondContact O-N 3.4Å; N19-Y23 PolarHBondContact O-N 3.28Å; N19-G145 CarbonylContact O-C 3.57Å; N19-G145 WeakPolarHBondContact O-CA 3.34Å; N19-I148 HydrophobicContact CB-CB 4.15Å; N19-I148 HydrophobicContact CB-CG2 4.01Å; N19-I148 WeakPolarHBondContact ND2-CG2 3.38Å; N19-I148 WeakPolarHBondContact OD1-CD1 3.41Å
20Y98.9Very high98.4Very high47 Ų4721.4 Ų21.418%0.18410%0.103CC..Hα-helixtrans-61.3-47.4170.8-179.1-100.1000112.1V16 A17 N22 Y23 Q24 V87 F89 W149V16-Y20 PolarHBondContact O-N 2.88Å; A17-Y20 PolarHBondContact O-N 2.94Å; Y20-N22 PolarHBondContact O-N 3.27Å; Y20-Y23 PolarHBondContact O-N 3.11Å; Y20-Q24 WeakPolarHBondContact O-CB 3.5Å; Y20-Q24 PolarHBondContact O-N 3.41Å; Y20-V87 HydrophobicContact CD1-CB 3.79Å; Y20-V87 HydrophobicContact CD1-CG1 3.5Å; Y20-V87 VanDerWaalsContact CD1-CG1 3.5Å; Y20-V87 HydrophobicContact CD2-CB 4.1Å; Y20-V87 HydrophobicContact CE1-CB 4.21Å; Y20-V87 HydrophobicContact CE1-CG1 4.17Å; Y20-V87 HydrophobicContact CE2-CB 4.49Å; Y20-V87 HydrophobicContact CG-CB 3.72Å; Y20-V87 HydrophobicContact CG-CG1 3.73Å; Y20-V87 HydrophobicContact CG-CG2 4.25Å; Y20-F89 AromaticContact CD1-CD1 3.77Å; Y20-F89 HydrophobicContact CD1-CD1 3.77Å; Y20-F89 AromaticContact CD1-CE1 3.71Å; Y20-F89 HydrophobicContact CD1-CE1 3.71Å; Y20-F89 AromaticContact CE1-CD1 3.85Å; Y20-F89 HydrophobicContact CE1-CD1 3.85Å; Y20-F89 AromaticContact CE1-CE1 3.67Å; Y20-F89 HydrophobicContact CE1-CE1 3.67Å; Y20-W149 AromaticContact CD2-CD2 3.55Å; Y20-W149 HydrophobicContact CD2-CD2 3.55Å; Y20-W149 AromaticContact CD2-CE2 3.51Å; Y20-W149 AromaticContact CD2-CE3 3.73Å; Y20-W149 HydrophobicContact CD2-CE3 3.73Å; Y20-W149 HydrophobicContact CD2-CG 4.14Å; Y20-W149 AromaticContact CD2-CH2 3.87Å; Y20-W149 HydrophobicContact CD2-CH2 3.87Å; Y20-W149 AromaticContact CD2-CZ2 3.7Å; Y20-W149 HydrophobicContact CD2-CZ2 3.7Å; Y20-W149 AromaticContact CD2-CZ3 3.88Å; Y20-W149 HydrophobicContact CD2-CZ3 3.88Å; Y20-W149 HydrophobicContact CE2-CD2 4.28Å; Y20-W149 AromaticContact CE2-CE2 3.94Å; Y20-W149 HydrophobicContact CE2-CE3 4.25Å; Y20-W149 AromaticContact CE2-CH2 3.58Å; Y20-W149 HydrophobicContact CE2-CH2 3.58Å; Y20-W149 AromaticContact CE2-CZ2 3.61Å; Y20-W149 HydrophobicContact CE2-CZ2 3.61Å; Y20-W149 AromaticContact CE2-CZ3 3.91Å; Y20-W149 HydrophobicContact CE2-CZ3 3.91Å
21I98.7Very high98.4Very high0 Ų021.6 Ų21.60%010%0.104CC..Hα-helixtrans-56.9-48.8175.6-72.5164.1000110.7A17 Q18 Y23 Q24 Q25 F32 F56 F89 F91A17-I21 WeakPolarHBondContact O-CB 3.47Å; A17-I21 WeakPolarHBondContact O-CD1 3.41Å; A17-I21 WeakPolarHBondContact O-CG1 3.42Å; A17-I21 PolarHBondContact O-N 2.82Å; Q18-I21 PolarHBondContact O-N 2.92Å; I21-Y23 VanDerWaalsContact C-N 3.34Å; I21-Y23 PolarHBondContact O-N 2.79Å; I21-Q24 PolarHBondContact O-N 2.81Å; I21-Q25 PolarHBondContact O-N 2.81Å; I21-F32 HydrophobicContact CG2-CB 4.41Å; I21-F32 HydrophobicContact CG2-CD2 3.68Å; I21-F32 HydrophobicContact CG2-CE2 4.25Å; I21-F32 HydrophobicContact CG2-CG 4.21Å; I21-F56 HydrophobicContact CD1-CE2 4.48Å; I21-F56 HydrophobicContact CD1-CZ 4.31Å; I21-F89 HydrophobicContact CB-CE1 4.42Å; I21-F89 HydrophobicContact CB-CZ 4.39Å; I21-F89 HydrophobicContact CD1-CB 4.35Å; I21-F89 HydrophobicContact CD1-CD1 4.36Å; I21-F89 HydrophobicContact CD1-CD2 4Å; I21-F89 HydrophobicContact CD1-CE2 4.42Å; I21-F89 HydrophobicContact CD1-CG 3.98Å; I21-F89 HydrophobicContact CG1-CB 4.47Å; I21-F89 HydrophobicContact CG1-CD1 3.59Å; I21-F89 HydrophobicContact CG1-CD2 3.77Å; I21-F89 HydrophobicContact CG1-CE1 3.57Å; I21-F89 HydrophobicContact CG1-CE2 3.8Å; I21-F89 HydrophobicContact CG1-CG 3.67Å; I21-F89 HydrophobicContact CG1-CZ 3.69Å; I21-F91 HydrophobicContact CD1-CE1 4.43Å; I21-F91 HydrophobicContact CD1-CZ 4.28Å; I21-F91 HydrophobicContact CG2-CE2 4.39Å; I21-F91 HydrophobicContact CG2-CZ 3.71Å
22N98.8Very high98.5Very high4 Ų420.1 Ų20.12%0.0219%0.094CC..Hα-helixtrans-62.3-40.9-179.4-78.2-21.2000111.8Q18 N19 Y20 G26 F32 V142Q18-N22 WeakPolarHBondContact O-CB 3.22Å; Q18-N22 PolarHBondContact O-N 2.92Å; Q18-N22 PolarHBondContact O-ND2 3.37Å; N19-N22 PolarHBondContact O-N 3.4Å; Y20-N22 PolarHBondContact O-N 3.27Å; N22-G26 WeakPolarHBondContact O-CA 3.23Å; N22-G26 PolarHBondContact O-N 3.44Å; N22-F32 PolarHBondContact ND2-O 3.32Å; N22-F32 WeakPolarHBondContact OD1-CA 3.45Å; N22-F32 WeakPolarHBondContact OD1-CB 3.41Å; N22-F32 PolarHBondContact OD1-N 3.41Å; N22-F32 PolarHBondContact OD1-O 2.77Å; N22-V142 WeakPolarHBondContact O-CG1 3.12Å
23Y98.8Very high98.5Very high44 Ų4422.2 Ų22.217%0.17311%0.105CC..Hα-helixtrans-67.5-38.3176-177.7-118.4000112.6N19 Y20 I21 Y146 W149 T207 V209N19-Y23 PolarHBondContact O-N 3.28Å; Y20-Y23 PolarHBondContact O-N 3.11Å; I21-Y23 VanDerWaalsContact C-N 3.34Å; I21-Y23 PolarHBondContact O-N 2.79Å; Y23-Y146 AromaticContact CD1-CD2 3.85Å; Y23-Y146 HydrophobicContact CD1-CD2 3.85Å; Y23-Y146 HydrophobicContact CD1-CG 4.37Å; Y23-Y146 AromaticContact CE1-CD2 3.41Å; Y23-Y146 HydrophobicContact CE1-CD2 3.41Å; Y23-Y146 VanDerWaalsContact CE1-CD2 3.41Å; Y23-Y146 HydrophobicContact CE1-CE2 4.22Å; Y23-Y146 HydrophobicContact CE1-CG 4.05Å; Y23-Y146 HydrophobicContact CE2-CD2 4.4Å; Y23-Y146 HydrophobicContact CE2-CG 4.24Å; Y23-Y146 HydrophobicContact CG-CD2 4.49Å; Y23-Y146 AromaticContact CZ-CD2 3.71Å; Y23-Y146 AromaticContact CZ-CG 3.97Å; Y23-W149 HydrophobicContact CD1-CZ3 4.49Å; Y23-T207 HydrophobicContact CE2-CG2 4.43Å; Y23-V209 HydrophobicContact CE2-CG2 4.05Å; Y23-V209 PolarHBondContact OH-N 3.03Å
24Q98.2Very high98.5Very high110 Ų11023.8 Ų23.851%0.51412%0.115SC..Hα-helixtrans-77.6-36.2-176.9-166.6-174.78.900113.5Y20 I21Y20-Q24 WeakPolarHBondContact O-CB 3.5Å; Y20-Q24 PolarHBondContact O-N 3.41Å; I21-Q24 PolarHBondContact O-N 2.81Å
25Q96.4Very high98.4Very high67 Ų6728.4 Ų28.431%0.31314%0.136SC..Hα-helixtrans-128.8-2.4-169.6-57.6-167.23.800114.4I21 F89I21-Q25 PolarHBondContact O-N 2.81Å; Q25-F89 HydrophobicContact CG-CZ 4.33Å; Q25-F89 VanDerWaalsContact NE2-CZ 3.35Å
26G98.1Very high98.4Very high7 Ų734.7 Ų34.77%0.07216%0.163CC..  trans-83.7154.1-179.700000112.8N22 R30N22-G26 WeakPolarHBondContact O-CA 3.23Å; N22-G26 PolarHBondContact O-N 3.44Å; G26-R30 CarbonylContact C-O 3.51Å; G26-R30 WeakPolarHBondContact CA-O 3.27Å
27T98.6Very high98.4Very high25 Ų2535.2 Ų35.215%0.15317%0.166CC..BIsolated β-bridgetrans-140.6171.7177.183.60000109.6H29 R30 D103T27-H29 PolarHBondContact O-N 3.49Å; T27-H29 PolarHBondContact OG1-N 3.34Å; T27-R30 HydrophobicContact CG2-CB 4.46Å; T27-R30 PolarHBondContact N-O 2.92Å; T27-R30 CarbonylContact O-C 3.59Å; T27-R30 PolarHBondContact O-N 2.96Å; T27-R30 VanDerWaalsContact O-O 3.06Å; T27-R30 PolarHBondContact OG1-N 3.11Å; T27-D103 WeakPolarHBondContact CB-OD2 3.38Å; T27-D103 WeakPolarHBondContact CG2-OD2 3.28Å; T27-D103 PolarHBondContact OG1-OD1 3.04Å; T27-D103 PolarHBondContact OG1-OD2 3.09Å
28P98.3Very high98.3Very high0 Ų040 Ų400%019%0.187CC..THydrogen-bonded Turntrans-53-22.6173.4-27.135.6000114.8D103 F106 L135 H138 L139 W201P28-D103 WeakPolarHBondContact CD-OD1 3.44Å; P28-F106 HydrophobicContact CB-CD1 3.83Å; P28-F106 HydrophobicContact CB-CE1 3.97Å; P28-F106 HydrophobicContact CG-CD1 3.78Å; P28-F106 HydrophobicContact CG-CE1 3.83Å; P28-L135 HydrophobicContact CB-CB 4.33Å; P28-L135 WeakPolarHBondContact O-CD2 3.12Å; P28-H138 WeakPolarHBondContact O-CB 3.29Å; P28-H138 PolarHBondContact O-ND1 2.83Å; P28-L139 HydrophobicContact CG-CB 4.17Å; P28-L139 HydrophobicContact CG-CD1 4.22Å; P28-W201 HydrophobicContact CG-CH2 4.3Å; P28-W201 HydrophobicContact CG-CZ2 3.68Å
29H98.2Very high98.3Very high29 Ų2944.6 Ų44.613%0.13421%0.208CC..THydrogen-bonded Turntrans-112.210176.5-6291.9000114.1T27 P99 E102 D103 L135T27-H29 PolarHBondContact O-N 3.49Å; T27-H29 PolarHBondContact OG1-N 3.34Å; H29-P99 HydrophobicContact CB-CB 3.73Å; H29-P99 HydrophobicContact CB-CG 3.64Å; H29-E102 HydrophobicContact CB-CB 4.41Å; H29-E102 PolarHBondContact CE1-O 2.89Å; H29-D103 IonicContact CE1-OD1 2.88Å; H29-D103 IonicContact CG-OD1 2.81Å; H29-D103 PolarHBondContact N-OD1 3.05Å; H29-D103 IonicContact ND1-OD1 3.73Å; H29-D103 PolarHBondContact ND1-OD1 2.86Å; H29-L135 VanDerWaalsContact NE2-CD1 3.34Å; H29-L135 WeakPolarHBondContact NE2-CD1 3.5Å; H29-L135 VanDerWaalsContact NE2-CD2 3.29Å; H29-L135 WeakPolarHBondContact NE2-CD2 3.34Å
30R98.1Very high98.3Very high9 Ų944.1 Ų44.13%0.03421%0.206CC..BIsolated β-bridgetrans-144.9108.6-178.9-173.5177.5178.1109-6.8112.1G26 T27 F32 E60 T95 K97 P99G26-R30 CarbonylContact C-O 3.51Å; G26-R30 WeakPolarHBondContact CA-O 3.27Å; T27-R30 HydrophobicContact CG2-CB 4.46Å; T27-R30 PolarHBondContact N-O 2.92Å; T27-R30 CarbonylContact O-C 3.59Å; T27-R30 PolarHBondContact O-N 2.96Å; T27-R30 VanDerWaalsContact O-O 3.06Å; T27-R30 PolarHBondContact OG1-N 3.11Å; R30-F32 HydrophobicContact CG-CE2 4.18Å; R30-F32 HydrophobicContact CG-CZ 4.31Å; R30-E60 HydrophobicContact CG-CG 3.94Å; R30-T95 VanDerWaalsContact CZ-O 3.24Å; R30-T95 PolarHBondContact NH1-O 2.92Å; R30-T95 PolarHBondContact NH2-O 2.91Å; R30-T95 PolarHBondContact NH2-OG1 2.84Å; R30-K97 PolarHBondContact NH1-O 3.36Å; R30-K97 VanDerWaalsContact NH1-O 3.16Å; R30-P99 HydrophobicContact CB-CG 4.13Å
31V98.4Very high98.3Very high5 Ų542.8 Ų42.83%0.0320%0.203CC..  trans-138.5134.1178174.60000109.3E60 I61 I62 W141 V142V31-E60 PolarHBondContact N-OE1 3Å; V31-E60 CarbonylContact O-C 3.2Å; V31-E60 VanDerWaalsContact O-CA 3.31Å; V31-E60 WeakPolarHBondContact O-CA 3.46Å; V31-I61 HydrophobicContact CB-CG1 4.3Å; V31-I61 HydrophobicContact CG1-CD1 4.28Å; V31-I61 HydrophobicContact CG1-CG1 4.35Å; V31-I61 WeakPolarHBondContact O-CG1 3.45Å; V31-I61 PolarHBondContact O-N 3.49Å; V31-I62 HydrophobicContact CB-CD1 3.81Å; V31-I62 HydrophobicContact CB-CG1 4.28Å; V31-I62 HydrophobicContact CG2-CD1 3.57Å; V31-W141 HydrophobicContact CG1-CE3 4.37Å; V31-W141 HydrophobicContact CG2-CE3 4.48Å; V31-V142 HydrophobicContact CG2-CG2 3.86Å
32F98.5Very high98.3Very high1 Ų145 Ų450%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-99.5140.9-179.8-62-81.5000112.3Q18 I21 N22 R30 V58 E59 E60 V66 F91Q18-F32 VanDerWaalsContact CG-O 3.3Å; Q18-F32 WeakPolarHBondContact CG-O 3.21Å; Q18-F32 PolarHBondContact NE2-O 3.02Å; I21-F32 HydrophobicContact CG2-CB 4.41Å; I21-F32 HydrophobicContact CG2-CD2 3.68Å; I21-F32 HydrophobicContact CG2-CE2 4.25Å; I21-F32 HydrophobicContact CG2-CG 4.21Å; N22-F32 PolarHBondContact ND2-O 3.32Å; N22-F32 WeakPolarHBondContact OD1-CA 3.45Å; N22-F32 WeakPolarHBondContact OD1-CB 3.41Å; N22-F32 PolarHBondContact OD1-N 3.41Å; N22-F32 PolarHBondContact OD1-O 2.77Å; R30-F32 HydrophobicContact CG-CE2 4.18Å; R30-F32 HydrophobicContact CG-CZ 4.31Å; F32-V58 HydrophobicContact CD1-CG2 4.16Å; F32-E59 CarbonylContact C-O 3.53Å; F32-E59 WeakPolarHBondContact CA-O 3.42Å; F32-E60 HydrophobicContact CD1-CB 4.11Å; F32-E60 HydrophobicContact CE1-CB 3.95Å; F32-E60 HydrophobicContact CE1-CG 4.35Å; F32-V66 HydrophobicContact CE1-CG1 4.48Å; F32-F91 HydrophobicContact CZ-CZ 4.44Å
33E98.4Very high98.2Very high80 Ų8048.5 Ų48.537%0.37423%0.231SC..EExtended strand (participates in β ladder)trans-126.2133.3172-172.2169.6-135.300111.3Q35 V58 E59 I61E33-Q35 PolarHBondContact O-N 2.82Å; E33-Q35 PolarHBondContact O-NE2 3.02Å; E33-V58 WeakPolarHBondContact O-CA 3.47Å; E33-E59 PolarHBondContact N-O 3.23Å; E33-E59 PolarHBondContact O-N 3.1Å; E33-I61 HydrophobicContact CB-CD1 4.49Å; E33-I61 HydrophobicContact CB-CG2 3.53Å
34V98.5Very high98.2Very high33 Ų3351 Ų5120%0.225%0.247CC..EExtended strand (participates in β ladder)trans-67.9119173174.60000109.3A14 Q18 V37 F56 V58A14-V34 HydrophobicContact CB-CG1 4.38Å; A14-V34 HydrophobicContact CB-CG2 4.45Å; Q18-V34 HydrophobicContact CB-CG2 3.82Å; Q18-V34 HydrophobicContact CG-CG2 4.11Å; V34-V37 HydrophobicContact CG1-CG2 4.4Å; V34-F56 HydrophobicContact CG1-CB 4.28Å; V34-F56 HydrophobicContact CG1-CD2 4.24Å; V34-F56 HydrophobicContact CG1-CG 4.49Å; V34-F56 HydrophobicContact CG2-CD2 3.75Å; V34-F56 HydrophobicContact CG2-CE2 3.83Å; V34-V58 HydrophobicContact CG2-CG1 4.36Å
35Q97.9Very high98.1Very high96 Ų9647.2 Ų47.245%0.44923%0.23SC..EExtended strand (participates in β ladder)trans-86.6-46.3177.5-62.2-56.7-5300111.4E33 A57 E59E33-Q35 PolarHBondContact O-N 2.82Å; E33-Q35 PolarHBondContact O-NE2 3.02Å; Q35-A57 HydrophobicContact CB-CB 4.35Å; Q35-A57 PolarHBondContact N-O 2.81Å; Q35-E59 HydrophobicContact CG-CB 3.71Å
36K97.6Very high98.1Very high143 Ų14349.6 Ų49.662%0.62225%0.251SS*.EExtended strand (participates in β ladder)trans-159.7129.7-177.3-175.3172.1-179.2177.50111.9F56 A57K36-F56 CarbonylContact O-C 3.54Å; K36-F56 VanDerWaalsContact O-CA 3.24Å; K36-F56 WeakPolarHBondContact O-CA 3.13Å; K36-F56 WeakPolarHBondContact O-CB 3.44Å; K36-A57 PolarHBondContact O-N 3.16Å
37V98.6Very high97.9Very high12 Ų1252.2 Ų52.27%0.07328%0.278CS..EExtended strand (participates in β ladder)trans-75.9126.2165.3-173.80000109P5 A10 A14 V34 A40 F56P5-V37 HydrophobicContact CB-CB 4.19Å; P5-V37 HydrophobicContact CB-CG1 3.84Å; P5-V37 WeakPolarHBondContact O-CB 3.34Å; A10-V37 HydrophobicContact CB-CG1 4.4Å; A14-V37 HydrophobicContact CB-CG2 3.64Å; V34-V37 HydrophobicContact CG1-CG2 4.4Å; V37-A40 HydrophobicContact CG1-CB 4.23Å; V37-F56 HydrophobicContact CB-CB 4.48Å; V37-F56 HydrophobicContact CG2-CB 4.28Å
38K98.2Very high97.7Very high100 Ų10056.3 Ų56.344%0.43529%0.291SS..EExtended strand (participates in β ladder)trans-97.4-41-178-57.6-173-174.9-172.80111.6K55 N69K38-K55 WeakPolarHBondContact CA-O 3.41Å; K38-K55 WeakPolarHBondContact CB-O 3.14Å; K38-K55 PolarHBondContact N-O 3.2Å; K38-N69 WeakPolarHBondContact CE-OD1 3.41Å; K38-N69 PolarHBondContact NZ-ND2 2.96Å; K38-N69 PolarHBondContact NZ-OD1 3.15Å
39Q98.4Very high97.6Very high113 Ų11356.3 Ų56.353%0.52829%0.291SS..EExtended strand (participates in β ladder)trans-142.9144.6-179.6-63.8177.2-19.500109.1L54 K55Q39-L54 WeakPolarHBondContact O-CA 3.42Å; Q39-K55 HydrophobicContact CB-CB 4.15Å; Q39-K55 PolarHBondContact N-O 2.88Å; Q39-K55 VanDerWaalsContact N-O 3.13Å; Q39-K55 PolarHBondContact O-N 2.83Å
40A98.6Very high97.6Very high2 Ų257.7 Ų57.72%0.01730%0.297CS..EExtended strand (participates in β ladder)trans-150.2132.417700000109.7E2 I3 A10 V37 R53 L54E2-A40 VanDerWaalsContact OE2-O 3.12Å; I3-A40 HydrophobicContact CD1-CB 4.1Å; I3-A40 HydrophobicContact CG1-CB 3.67Å; I3-A40 WeakPolarHBondContact CG1-O 3.47Å; I3-A40 PolarHBondContact N-O 3Å; A10-A40 HydrophobicContact CB-CB 3.56Å; V37-A40 HydrophobicContact CG1-CB 4.23Å; A40-R53 WeakPolarHBondContact CA-O 3.29Å; A40-L54 HydrophobicContact CB-CD2 3.72Å
41S98.4Very high97.7Very high18 Ų1859.2 Ų59.213%0.12630%0.304CS..EExtended strand (participates in β ladder)trans-135156.6169.364.60000109.8M1 Y52 R53M1-S41 CarbonylContact O-C 3.6Å; M1-S41 WeakPolarHBondContact O-CA 3.15Å; M1-S41 VanDerWaalsContact O-CB 3.32Å; M1-S41 WeakPolarHBondContact O-CB 3.33Å; S41-Y52 CarbonylContact O-C 3.53Å; S41-Y52 VanDerWaalsContact O-CA 3.28Å; S41-Y52 WeakPolarHBondContact O-CA 3.48Å; S41-R53 PolarHBondContact N-O 3.25Å; S41-R53 PolarHBondContact O-N 3.02Å
42M98.3Very high97.7Very high46 Ų4659.5 Ų59.523%0.22731%0.305CS..EExtended strand (participates in β ladder)trans-126.8136177.6178.4-137.763.700109.5M1 I3 H50 K51 Y52M1-M42 PolarHBondContact N-O 2.87Å; M1-M42 PolarHBondContact O-N 3.08Å; I3-M42 HydrophobicContact CG2-CB 4.42Å; M42-H50 HydrophobicContact CG-CB 4.38Å; M42-K51 CarbonylContact C-O 3.59Å; M42-K51 WeakPolarHBondContact CA-O 3.4Å; M42-Y52 HydrophobicContact CB-CD1 4.09Å; M42-Y52 HydrophobicContact CB-CE1 3.94Å; M42-Y52 HydrophobicContact CG-CD1 4.4Å; M42-Y52 HydrophobicContact CG-CE1 4Å; M42-Y52 HydrophobicContact CG-CE2 4.35Å
43E98.1Very high97.7Very high78 Ų7864.3 Ų64.336%0.36432%0.323SS..EExtended strand (participates in β ladder)trans-121.9124.1174.7-178.2177.9172.600108.5I45 K51 R53E43-I45 HydrophobicContact CG-CG1 4.21Å; E43-K51 HydrophobicContact CB-CB 4.5Å; E43-K51 PolarHBondContact N-O 2.94Å; E43-K51 PolarHBondContact O-N 3.06Å; E43-R53 IonicContact OE2-CZ 3.06Å; E43-R53 IonicContact OE2-NH1 2.75Å; E43-R53 PolarHBondContact OE2-NH1 2.79Å; E43-R53 IonicContact OE2-NH2 2.72Å; E43-R53 PolarHBondContact OE2-NH2 2.86Å
44D97.5Very high97.7Very high97 Ų9760.7 Ų60.752%0.51931%0.306SS..EExtended strand (participates in β ladder)trans-80.3121.5168.8179.312.6000108.6H50D44-H50 IonicContact OD1-CD2 3.13Å
45I97.3Very high97.7Very high31 Ų3162.8 Ų62.816%0.15931%0.312CS..EExtended strand (participates in β ladder)trans-107.8107.8179.8-55-179.6000108.1E43 G47 R48 G49 K51 L75E43-I45 HydrophobicContact CG-CG1 4.21Å; I45-G47 PolarHBondContact O-N 2.77Å; I45-R48 HydrophobicContact CB-CB 4.06Å; I45-R48 HydrophobicContact CG2-CB 3.8Å; I45-R48 HydrophobicContact CG2-CG 4Å; I45-R48 PolarHBondContact O-N 2.82Å; I45-G49 PolarHBondContact N-O 2.94Å; I45-G49 PolarHBondContact O-N 2.76Å; I45-K51 HydrophobicContact CD1-CB 3.66Å; I45-K51 HydrophobicContact CD1-CD 3.8Å; I45-K51 HydrophobicContact CD1-CG 4.36Å; I45-K51 HydrophobicContact CG1-CB 4.24Å; I45-L75 HydrophobicContact CD1-CD1 4.37Å
46P95.6Very high97.8Very high117 Ų11758.2 Ų58.276%0.7629%0.291SS*.THydrogen-bonded Turntrans-51.7125.1-177.9-29.635.7000112.6R48P46-R48 PolarHBondContact O-N 2.94Å
47G94.3Very high97.8Very high61 Ų6152.4 Ų52.463%0.62927%0.27SS*.THydrogen-bonded Turntrans76.6-1.6179.600000115.6I45I45-G47 PolarHBondContact O-N 2.77Å
48R94.9Very high97.8Very high111 Ų11151.9 Ų51.942%0.41927%0.267SS..THydrogen-bonded Turntrans-116.7-38.5177.6-64.9-167.266.8-163.30.8113.8I45 P46 L75 P77 L78 E86I45-R48 HydrophobicContact CB-CB 4.06Å; I45-R48 HydrophobicContact CG2-CB 3.8Å; I45-R48 HydrophobicContact CG2-CG 4Å; I45-R48 PolarHBondContact O-N 2.82Å; P46-R48 PolarHBondContact O-N 2.94Å; R48-L75 HydrophobicContact CB-CD2 4.46Å; R48-L75 VanDerWaalsContact CZ-CD2 3.47Å; R48-L75 VanDerWaalsContact NH2-CD2 3.25Å; R48-P77 WeakPolarHBondContact O-CA 3.41Å; R48-L78 PolarHBondContact O-N 3.37Å; R48-E86 IonicContact CZ-OE1 3.11Å; R48-E86 IonicContact NH2-OE1 3.71Å; R48-E86 PolarHBondContact NH2-OE1 2.73Å; R48-E86 IonicContact NH2-OE2 3.65Å; R48-E86 PolarHBondContact NH2-OE2 2.9Å
49G96.7Very high97.8Very high1 Ų148.4 Ų48.41%0.0125%0.252CS..EExtended strand (participates in β ladder)trans121.8-157.5-178.600000112.8I45 Y76I45-G49 PolarHBondContact N-O 2.94Å; I45-G49 PolarHBondContact O-N 2.76Å; G49-Y76 CarbonylContact C-O 3.57Å; G49-Y76 WeakPolarHBondContact CA-O 3.32Å
50H98.1Very high97.7Very high58 Ų5843.2 Ų43.227%0.26923%0.228SC..EExtended strand (participates in β ladder)trans-101.4119.3-171.6-58.1146.7000112.2M42 D44 Y52 L75 Y76 E154M42-H50 HydrophobicContact CG-CB 4.38Å; D44-H50 IonicContact OD1-CD2 3.13Å; H50-Y52 HydrophobicContact CB-CE2 4.14Å; H50-L75 WeakPolarHBondContact O-CA 3.31Å; H50-Y76 PolarHBondContact N-O 3.1Å; H50-Y76 VanDerWaalsContact N-O 3.1Å; H50-Y76 PolarHBondContact O-N 3.44Å; H50-E154 IonicContact CE1-OE1 3.92Å; H50-E154 IonicContact CE1-OE2 3.69Å; H50-E154 IonicContact CG-OE1 2.77Å; H50-E154 IonicContact CG-OE2 2.69Å; H50-E154 IonicContact ND1-OE1 3.48Å; H50-E154 PolarHBondContact ND1-OE1 3.19Å; H50-E154 IonicContact ND1-OE2 3.8Å; H50-E154 PolarHBondContact ND1-OE2 2.65Å
51K98.6Very high97.7Very high40 Ų4045.1 Ų45.117%0.17424%0.237CC..EExtended strand (participates in β ladder)trans-98.8117.7177.4-170.4172.3-177.71780111.3M42 E43 I45 E73 V74 L75M42-K51 CarbonylContact C-O 3.59Å; M42-K51 WeakPolarHBondContact CA-O 3.4Å; E43-K51 HydrophobicContact CB-CB 4.5Å; E43-K51 PolarHBondContact N-O 2.94Å; E43-K51 PolarHBondContact O-N 3.06Å; I45-K51 HydrophobicContact CD1-CB 3.66Å; I45-K51 HydrophobicContact CD1-CD 3.8Å; I45-K51 HydrophobicContact CD1-CG 4.36Å; I45-K51 HydrophobicContact CG1-CB 4.24Å; K51-E73 VanDerWaalsContact CE-OE1 3.23Å; K51-E73 WeakPolarHBondContact CE-OE1 3.45Å; K51-E73 WeakPolarHBondContact CE-OE2 3.45Å; K51-E73 IonicContact NZ-OE1 3.44Å; K51-E73 PolarHBondContact NZ-OE1 3.29Å; K51-E73 VanDerWaalsContact NZ-OE1 3.11Å; K51-E73 IonicContact NZ-OE2 3.62Å; K51-E73 PolarHBondContact NZ-OE2 3.01Å; K51-V74 CarbonylContact C-O 3.51Å; K51-V74 WeakPolarHBondContact CA-O 3.41Å; K51-L75 HydrophobicContact CB-CB 4.45Å; K51-L75 HydrophobicContact CB-CD1 4.07Å; K51-L75 HydrophobicContact CG-CB 4.38Å
52Y98.8Very high97.6Very high11 Ų1146.3 Ų46.34%0.04324%0.242CC..EExtended strand (participates in β ladder)trans-92.3131.1171.5-68.2-94.4000110.1I3 P9 A13 S41 M42 H50 E73 V74 Y76 E154I3-Y52 HydrophobicContact CD1-CD1 3.99Å; I3-Y52 HydrophobicContact CD1-CE1 3.78Å; P9-Y52 HydrophobicContact CB-CE1 3.77Å; A13-Y52 HydrophobicContact CB-CD1 4.06Å; A13-Y52 HydrophobicContact CB-CD2 4.14Å; A13-Y52 HydrophobicContact CB-CG 3.73Å; S41-Y52 CarbonylContact O-C 3.53Å; S41-Y52 VanDerWaalsContact O-CA 3.28Å; S41-Y52 WeakPolarHBondContact O-CA 3.48Å; M42-Y52 HydrophobicContact CB-CD1 4.09Å; M42-Y52 HydrophobicContact CB-CE1 3.94Å; M42-Y52 HydrophobicContact CG-CD1 4.4Å; M42-Y52 HydrophobicContact CG-CE1 4Å; M42-Y52 HydrophobicContact CG-CE2 4.35Å; H50-Y52 HydrophobicContact CB-CE2 4.14Å; Y52-E73 CarbonylContact O-C 3.54Å; Y52-E73 VanDerWaalsContact O-CA 3.22Å; Y52-E73 WeakPolarHBondContact O-CA 3.41Å; Y52-V74 PolarHBondContact N-O 2.79Å; Y52-V74 PolarHBondContact O-N 2.85Å; Y52-Y76 AromaticContact CD2-CD2 3.67Å; Y52-Y76 HydrophobicContact CD2-CD2 3.67Å; Y52-Y76 AromaticContact CD2-CE2 3.67Å; Y52-Y76 HydrophobicContact CD2-CE2 3.67Å; Y52-Y76 AromaticContact CE2-CD2 3.57Å; Y52-Y76 HydrophobicContact CE2-CD2 3.57Å; Y52-Y76 AromaticContact CE2-CE2 3.68Å; Y52-Y76 HydrophobicContact CE2-CE2 3.68Å; Y52-E154 HydrophobicContact CE2-CG 4.28Å; Y52-E154 PolarHBondContact OH-OE1 3.23Å
53R98.8Very high97.4Very high103 Ų10347 Ų4739%0.38924%0.244SC..EExtended strand (participates in β ladder)trans-110.1124.9166.5-58-171.4175.9101.62.9108.8A40 S41 E43 E73A40-R53 WeakPolarHBondContact CA-O 3.29Å; S41-R53 PolarHBondContact N-O 3.25Å; S41-R53 PolarHBondContact O-N 3.02Å; E43-R53 IonicContact OE2-CZ 3.06Å; E43-R53 IonicContact OE2-NH1 2.75Å; E43-R53 PolarHBondContact OE2-NH1 2.79Å; E43-R53 IonicContact OE2-NH2 2.72Å; E43-R53 PolarHBondContact OE2-NH2 2.86Å; R53-E73 HydrophobicContact CG-CG 4.2Å; R53-E73 IonicContact NE-OE1 2.8Å; R53-E73 PolarHBondContact NE-OE1 3.45Å
54L98.8Very high97.2Very high3 Ų350 Ų502%0.01626%0.256CS..EExtended strand (participates in β ladder)trans-128.6143.9-168.1-54.7169.1000110.5A13 A14 Q39 A40 F56 T71 A72 V74A13-L54 HydrophobicContact CB-CD1 3.76Å; A13-L54 HydrophobicContact CB-CD2 4.45Å; A14-L54 HydrophobicContact CB-CD1 4.12Å; Q39-L54 WeakPolarHBondContact O-CA 3.42Å; A40-L54 HydrophobicContact CB-CD2 3.72Å; L54-F56 HydrophobicContact CB-CD1 3.89Å; L54-F56 HydrophobicContact CB-CE1 4.08Å; L54-F56 HydrophobicContact CD1-CE1 4.41Å; L54-T71 CarbonylContact O-C 3.53Å; L54-T71 WeakPolarHBondContact O-CA 3.45Å; L54-A72 PolarHBondContact N-O 2.93Å; L54-A72 PolarHBondContact O-N 3.31Å; L54-V74 HydrophobicContact CD1-CG2 4.43Å
55K98.8Very high96.9Very high77 Ų7753 Ų5334%0.33527%0.267SS..EExtended strand (participates in β ladder)trans-122.7127158.6-63.2-158.3172.9-144.80109.5K38 Q39 C70 T71 E92K38-K55 WeakPolarHBondContact CA-O 3.41Å; K38-K55 WeakPolarHBondContact CB-O 3.14Å; K38-K55 PolarHBondContact N-O 3.2Å; Q39-K55 HydrophobicContact CB-CB 4.15Å; Q39-K55 PolarHBondContact N-O 2.88Å; Q39-K55 VanDerWaalsContact N-O 3.13Å; Q39-K55 PolarHBondContact O-N 2.83Å; K55-C70 CarbonylContact C-O 3.53Å; K55-C70 WeakPolarHBondContact CA-O 3.43Å; K55-T71 WeakPolarHBondContact CE-OG1 3.17Å; K55-T71 HydrophobicContact CG-CG2 4.48Å; K55-E92 IonicContact NZ-OE1 2.82Å; K55-E92 PolarHBondContact NZ-OE1 3.38Å
56F98.7Very high96.7Very high0 Ų052.2 Ų52.20%026%0.264CS..EExtended strand (participates in β ladder)trans-144.7155.9-178.853.3-89.5000111.8A14 A17 I21 V34 K36 V37 L54 V58 N69 C70 A72A14-F56 HydrophobicContact CB-CD1 4.27Å; A17-F56 HydrophobicContact CB-CE1 4.18Å; A17-F56 HydrophobicContact CB-CZ 3.87Å; I21-F56 HydrophobicContact CD1-CE2 4.48Å; I21-F56 HydrophobicContact CD1-CZ 4.31Å; V34-F56 HydrophobicContact CG1-CB 4.28Å; V34-F56 HydrophobicContact CG1-CD2 4.24Å; V34-F56 HydrophobicContact CG1-CG 4.49Å; V34-F56 HydrophobicContact CG2-CD2 3.75Å; V34-F56 HydrophobicContact CG2-CE2 3.83Å; K36-F56 CarbonylContact O-C 3.54Å; K36-F56 VanDerWaalsContact O-CA 3.24Å; K36-F56 WeakPolarHBondContact O-CA 3.13Å; K36-F56 WeakPolarHBondContact O-CB 3.44Å; V37-F56 HydrophobicContact CB-CB 4.48Å; V37-F56 HydrophobicContact CG2-CB 4.28Å; L54-F56 HydrophobicContact CB-CD1 3.89Å; L54-F56 HydrophobicContact CB-CE1 4.08Å; L54-F56 HydrophobicContact CD1-CE1 4.41Å; F56-V58 HydrophobicContact CD2-CG1 3.5Å; F56-V58 VanDerWaalsContact CD2-CG1 3.5Å; F56-V58 HydrophobicContact CE2-CG1 3.39Å; F56-N69 CarbonylContact O-C 3.54Å; F56-N69 WeakPolarHBondContact O-CA 3.34Å; F56-C70 HydrophobicContact CD2-CB 4.02Å; F56-C70 HydrophobicContact CE1-CB 4.44Å; F56-C70 HydrophobicContact CE2-CB 3.64Å; F56-C70 HydrophobicContact CZ-CB 3.87Å; F56-C70 PolarHBondContact N-O 2.91Å; F56-C70 PolarHBondContact O-N 3.34Å; F56-A72 HydrophobicContact CE1-CB 3.7Å; F56-A72 HydrophobicContact CZ-CB 4.08Å
57A98.4Very high96.8Very high21 Ų2153.3 Ų53.317%0.17426%0.257CS..EExtended strand (participates in β ladder)trans-87.3137.6169.400000109.7Q35 K36Q35-A57 HydrophobicContact CB-CB 4.35Å; Q35-A57 PolarHBondContact N-O 2.81Å; K36-A57 PolarHBondContact O-N 3.16Å
58V97.9Very high97Very high2 Ų251.2 Ų51.21%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-119.7151.4170.2-61.40000110.8F32 E33 V34 F56 K67 V68 C70 F91F32-V58 HydrophobicContact CD1-CG2 4.16Å; E33-V58 WeakPolarHBondContact O-CA 3.47Å; V34-V58 HydrophobicContact CG2-CG1 4.36Å; F56-V58 HydrophobicContact CD2-CG1 3.5Å; F56-V58 VanDerWaalsContact CD2-CG1 3.5Å; F56-V58 HydrophobicContact CE2-CG1 3.39Å; V58-K67 WeakPolarHBondContact O-CA 3.27Å; V58-V68 HydrophobicContact CG2-CG2 3.55Å; V58-V68 PolarHBondContact N-O 3.47Å; V58-V68 PolarHBondContact O-N 3.26Å; V58-C70 HydrophobicContact CG1-CB 4.4Å; V58-F91 HydrophobicContact CG2-CD1 4.25Å; V58-F91 HydrophobicContact CG2-CE1 3.65Å
59E98.3Very high97.1Very high27 Ų2748.3 Ų48.313%0.12622%0.224CC..EExtended strand (participates in β ladder)trans-123.9136.8170.5177.5162.2-176.400108.9F32 E33 Q35 I61 V66 K67F32-E59 CarbonylContact C-O 3.53Å; F32-E59 WeakPolarHBondContact CA-O 3.42Å; E33-E59 PolarHBondContact N-O 3.23Å; E33-E59 PolarHBondContact O-N 3.1Å; Q35-E59 HydrophobicContact CG-CB 3.71Å; E59-I61 HydrophobicContact CG-CG2 4.45Å; E59-V66 WeakPolarHBondContact CA-O 3.35Å; E59-K67 HydrophobicContact CB-CG 4.24Å; E59-K67 HydrophobicContact CG-CD 4.49Å; E59-K67 HydrophobicContact CG-CG 3.98Å; E59-K67 WeakPolarHBondContact OE1-CE 3.02Å; E59-K67 IonicContact OE1-NZ 3.93Å; E59-K67 PolarHBondContact OE1-NZ 3.42Å; E59-K67 WeakPolarHBondContact OE2-CE 3.42Å; E59-K67 IonicContact OE2-NZ 2.79Å; E59-K67 PolarHBondContact OE2-NZ 3.05Å
60E97.9Very high97.2Very high3 Ų348.3 Ų48.31%0.01422%0.224CC..EExtended strand (participates in β ladder)trans-77.5116.4165.7-169.2-65.1120.400107.2R30 V31 F32 I62 Q63 K64 V66R30-E60 HydrophobicContact CG-CG 3.94Å; V31-E60 PolarHBondContact N-OE1 3Å; V31-E60 CarbonylContact O-C 3.2Å; V31-E60 VanDerWaalsContact O-CA 3.31Å; V31-E60 WeakPolarHBondContact O-CA 3.46Å; F32-E60 HydrophobicContact CD1-CB 4.11Å; F32-E60 HydrophobicContact CE1-CB 3.95Å; F32-E60 HydrophobicContact CE1-CG 4.35Å; E60-I62 WeakPolarHBondContact OE1-CA 3.44Å; E60-I62 VanDerWaalsContact OE1-CB 3.22Å; E60-I62 WeakPolarHBondContact OE1-CB 3.47Å; E60-I62 PolarHBondContact OE1-N 3.49Å; E60-Q63 VanDerWaalsContact OE2-CA 3.3Å; E60-Q63 WeakPolarHBondContact OE2-CA 3.32Å; E60-Q63 VanDerWaalsContact OE2-CB 3.27Å; E60-Q63 WeakPolarHBondContact OE2-CB 3.38Å; E60-Q63 PolarHBondContact OE2-N 3Å; E60-K64 WeakPolarHBondContact O-CA 3.49Å; E60-K64 PolarHBondContact O-N 3.32Å; E60-K64 PolarHBondContact OE2-N 2.87Å; E60-V66 HydrophobicContact CB-CB 3.84Å; E60-V66 PolarHBondContact N-O 3.22Å
61I97.3Very high97.2Very high42 Ų4247.7 Ų47.722%0.21523%0.225CC..THydrogen-bonded Turntrans-93.6-11-163.462.5170.4000114.7V31 E33 E59 K64 W141V31-I61 HydrophobicContact CB-CG1 4.3Å; V31-I61 HydrophobicContact CG1-CD1 4.28Å; V31-I61 HydrophobicContact CG1-CG1 4.35Å; V31-I61 WeakPolarHBondContact O-CG1 3.45Å; V31-I61 PolarHBondContact O-N 3.49Å; E33-I61 HydrophobicContact CB-CD1 4.49Å; E33-I61 HydrophobicContact CB-CG2 3.53Å; E59-I61 HydrophobicContact CG-CG2 4.45Å; I61-K64 WeakPolarHBondContact O-CE 3.47Å; I61-K64 WeakPolarHBondContact O-CG 3.4Å; I61-W141 HydrophobicContact CD1-CZ3 4.37Å
62I96.6Very high97.2Very high43 Ų4345.9 Ų45.922%0.22122%0.217CC..THydrogen-bonded Turntrans-85.8-56.4-176.6-60.2170.5000109.9V31 E60 H138V31-I62 HydrophobicContact CB-CD1 3.81Å; V31-I62 HydrophobicContact CB-CG1 4.28Å; V31-I62 HydrophobicContact CG2-CD1 3.57Å; E60-I62 WeakPolarHBondContact OE1-CA 3.44Å; E60-I62 VanDerWaalsContact OE1-CB 3.22Å; E60-I62 WeakPolarHBondContact OE1-CB 3.47Å; E60-I62 PolarHBondContact OE1-N 3.49Å; I62-H138 HydrophobicContact CD1-CB 4.03Å; I62-H138 VanDerWaalsContact CD1-ND1 3.27Å; I62-H138 WeakPolarHBondContact CD1-ND1 3.44Å
63Q93.3Very high97.2Very high60 Ų6047.8 Ų47.828%0.2823%0.226SC..THydrogen-bonded Turntrans-88.5-23.1176.7-54.3-169.4-19.700112.1E60 Q65E60-Q63 VanDerWaalsContact OE2-CA 3.3Å; E60-Q63 WeakPolarHBondContact OE2-CA 3.32Å; E60-Q63 VanDerWaalsContact OE2-CB 3.27Å; E60-Q63 WeakPolarHBondContact OE2-CB 3.38Å; E60-Q63 PolarHBondContact OE2-N 3Å; Q63-Q65 HydrophobicContact CB-CG 4.17Å; Q63-Q65 WeakPolarHBondContact O-CG 3.48Å; Q63-Q65 PolarHBondContact O-N 3.48Å
64K93.9Very high97.2Very high143 Ų14342.9 Ų42.962%0.62221%0.208SC*.  trans61.126.8177-55.3-176.9-177.7-178.40113.9E60 I61E60-K64 WeakPolarHBondContact O-CA 3.49Å; E60-K64 PolarHBondContact O-N 3.32Å; E60-K64 PolarHBondContact OE2-N 2.87Å; I61-K64 WeakPolarHBondContact O-CE 3.47Å; I61-K64 WeakPolarHBondContact O-CG 3.4Å
65Q91.8Very high97.2Very high158 Ų15843.1 Ų43.174%0.73821%0.209SC*.  trans-97.9-21.8-178.9-62.6-1750.900113Q63Q63-Q65 HydrophobicContact CB-CG 4.17Å; Q63-Q65 WeakPolarHBondContact O-CG 3.48Å; Q63-Q65 PolarHBondContact O-N 3.48Å
66V94.4Very high97.2Very high16 Ų1639.6 Ų39.610%0.09719%0.194CC..  trans-112.6120.3-172.4-179.60000109.8F32 E59 E60 V68 T95F32-V66 HydrophobicContact CE1-CG1 4.48Å; E59-V66 WeakPolarHBondContact CA-O 3.35Å; E60-V66 HydrophobicContact CB-CB 3.84Å; E60-V66 PolarHBondContact N-O 3.22Å; V66-V68 HydrophobicContact CG1-CG1 3.94Å; V66-V68 HydrophobicContact CG1-CG2 4.38Å; V66-T95 WeakPolarHBondContact CG2-O 3.21Å
67K96.8Very high97.1Very high140 Ų14040.9 Ų40.961%0.60920%0.202SC*.EExtended strand (participates in β ladder)trans-130.5114.2168.8-58.6-173.4-166.7-131.30108.5V58 E59V58-K67 WeakPolarHBondContact O-CA 3.27Å; E59-K67 HydrophobicContact CB-CG 4.24Å; E59-K67 HydrophobicContact CG-CD 4.49Å; E59-K67 HydrophobicContact CG-CG 3.98Å; E59-K67 WeakPolarHBondContact OE1-CE 3.02Å; E59-K67 IonicContact OE1-NZ 3.93Å; E59-K67 PolarHBondContact OE1-NZ 3.42Å; E59-K67 WeakPolarHBondContact OE2-CE 3.42Å; E59-K67 IonicContact OE2-NZ 2.79Å; E59-K67 PolarHBondContact OE2-NZ 3.05Å
68V97.4Very high96.8Very high17 Ų1743.1 Ų43.110%0.10321%0.211CC..EExtended strand (participates in β ladder)trans-137.2158.2-174.5-63.80000110.8V58 V66 F91 E94 T95V58-V68 HydrophobicContact CG2-CG2 3.55Å; V58-V68 PolarHBondContact N-O 3.47Å; V58-V68 PolarHBondContact O-N 3.26Å; V66-V68 HydrophobicContact CG1-CG1 3.94Å; V66-V68 HydrophobicContact CG1-CG2 4.38Å; V68-F91 HydrophobicContact CG2-CB 4.5Å; V68-F91 HydrophobicContact CG2-CD1 3.58Å; V68-F91 HydrophobicContact CG2-CE1 4.07Å; V68-F91 HydrophobicContact CG2-CG 4.23Å; V68-E94 WeakPolarHBondContact CG1-O 3.33Å; V68-T95 HydrophobicContact CG2-CG2 4.26Å
69N98.4Very high96.1Very high50 Ų5051 Ų5127%0.26725%0.249SC..EExtended strand (participates in β ladder)trans-84.1152.7166.9-57.3-27.1000109.7K38 F56 F91 E92K38-N69 WeakPolarHBondContact CE-OD1 3.41Å; K38-N69 PolarHBondContact NZ-ND2 2.96Å; K38-N69 PolarHBondContact NZ-OD1 3.15Å; F56-N69 CarbonylContact O-C 3.54Å; F56-N69 WeakPolarHBondContact O-CA 3.34Å; N69-F91 WeakPolarHBondContact O-CA 3.28Å; N69-E92 HydrophobicContact CB-CB 4.07Å; N69-E92 HydrophobicContact CB-CG 4.26Å; N69-E92 WeakPolarHBondContact CB-OE2 3.18Å; N69-E92 PolarHBondContact ND2-OE2 3.33Å; N69-E92 PolarHBondContact O-N 3.1Å
70C98.5Very high95.1Very high0 Ų053.5 Ų53.50%028%0.282CS..EExtended strand (participates in β ladder)trans-129.2133.6174.4-174.90000108.5K55 F56 V58 T90 F91K55-C70 CarbonylContact C-O 3.53Å; K55-C70 WeakPolarHBondContact CA-O 3.43Å; F56-C70 HydrophobicContact CD2-CB 4.02Å; F56-C70 HydrophobicContact CE1-CB 4.44Å; F56-C70 HydrophobicContact CE2-CB 3.64Å; F56-C70 HydrophobicContact CZ-CB 3.87Å; F56-C70 PolarHBondContact N-O 2.91Å; F56-C70 PolarHBondContact O-N 3.34Å; V58-C70 HydrophobicContact CG1-CB 4.4Å; C70-T90 WeakPolarHBondContact CA-O 3.4Å; C70-F91 HydrophobicContact CB-CD1 3.92Å; C70-F91 HydrophobicContact CB-CE1 4Å
71T98.8Very high94.5Very high46 Ų4657.9 Ų57.928%0.28230%0.302SS..EExtended strand (participates in β ladder)trans-101.1129.4162.9-66.40000107.3L54 K55 F89 T90 E92L54-T71 CarbonylContact O-C 3.53Å; L54-T71 WeakPolarHBondContact O-CA 3.45Å; K55-T71 WeakPolarHBondContact CE-OG1 3.17Å; K55-T71 HydrophobicContact CG-CG2 4.48Å; T71-F89 CarbonylContact O-C 3.58Å; T71-F89 VanDerWaalsContact O-CA 3.24Å; T71-F89 WeakPolarHBondContact O-CA 3.21Å; T71-T90 PolarHBondContact N-O 3.18Å; T71-T90 PolarHBondContact O-N 3.46Å; T71-E92 PolarHBondContact OG1-OE1 3.32Å
72A98.8Very high93.8Very high1 Ų165.6 Ų65.61%0.00834%0.337CS..EExtended strand (participates in β ladder)trans-136.5153.8178.200000112.3A17 L54 F56 N88 F89A17-A72 HydrophobicContact CB-CB 3.85Å; L54-A72 PolarHBondContact N-O 2.93Å; L54-A72 PolarHBondContact O-N 3.31Å; F56-A72 HydrophobicContact CE1-CB 3.7Å; F56-A72 HydrophobicContact CZ-CB 4.08Å; A72-N88 CarbonylContact C-O 3.56Å; A72-N88 WeakPolarHBondContact CA-O 3.39Å; A72-N88 WeakPolarHBondContact CB-O 3.42Å; A72-F89 HydrophobicContact CB-CB 3.9Å
73E98.8Very high93.7Very high51 Ų5167.5 Ų67.524%0.23835%0.351CS..EExtended strand (participates in β ladder)trans-119.5131.1167.9-57.9-169.4126.900109K51 Y52 R53 V87 N88K51-E73 VanDerWaalsContact CE-OE1 3.23Å; K51-E73 WeakPolarHBondContact CE-OE1 3.45Å; K51-E73 WeakPolarHBondContact CE-OE2 3.45Å; K51-E73 IonicContact NZ-OE1 3.44Å; K51-E73 PolarHBondContact NZ-OE1 3.29Å; K51-E73 VanDerWaalsContact NZ-OE1 3.11Å; K51-E73 IonicContact NZ-OE2 3.62Å; K51-E73 PolarHBondContact NZ-OE2 3.01Å; Y52-E73 CarbonylContact O-C 3.54Å; Y52-E73 VanDerWaalsContact O-CA 3.22Å; Y52-E73 WeakPolarHBondContact O-CA 3.41Å; R53-E73 HydrophobicContact CG-CG 4.2Å; R53-E73 IonicContact NE-OE1 2.8Å; R53-E73 PolarHBondContact NE-OE1 3.45Å; E73-V87 WeakPolarHBondContact O-CA 3.49Å; E73-N88 PolarHBondContact N-O 2.83Å; E73-N88 PolarHBondContact O-N 2.78Å
74V98.8Very high93.8Very high0 Ų065.8 Ų65.80%035%0.347CS..EExtended strand (participates in β ladder)trans-126.4116.5176.4-179.60000108.1A13 V16 A17 K51 Y52 L54 Y76 P85 E86 V87A13-V74 HydrophobicContact CB-CB 4.49Å; V16-V74 HydrophobicContact CB-CG1 4.26Å; V16-V74 HydrophobicContact CG1-CG1 3.92Å; A17-V74 HydrophobicContact CB-CG2 3.95Å; K51-V74 CarbonylContact C-O 3.51Å; K51-V74 WeakPolarHBondContact CA-O 3.41Å; Y52-V74 PolarHBondContact N-O 2.79Å; Y52-V74 PolarHBondContact O-N 2.85Å; L54-V74 HydrophobicContact CD1-CG2 4.43Å; V74-Y76 HydrophobicContact CG1-CD2 4.25Å; V74-Y76 HydrophobicContact CG1-CE1 4.49Å; V74-Y76 HydrophobicContact CG1-CE2 3.86Å; V74-P85 HydrophobicContact CG1-CB 4.15Å; V74-E86 CarbonylContact C-O 3.14Å; V74-E86 WeakPolarHBondContact CA-O 3.37Å; V74-V87 HydrophobicContact CG1-CG2 4.39Å; V74-V87 HydrophobicContact CG2-CG1 4.35Å; V74-V87 HydrophobicContact CG2-CG2 4.3Å
75L98.6Very high94.1Very high8 Ų859.1 Ų59.14%0.04232%0.319CS..EExtended strand (participates in β ladder)trans-104.8110.2174.5169.562.3000108.8I45 R48 H50 K51 P85 E86I45-L75 HydrophobicContact CD1-CD1 4.37Å; R48-L75 HydrophobicContact CB-CD2 4.46Å; R48-L75 VanDerWaalsContact CZ-CD2 3.47Å; R48-L75 VanDerWaalsContact NH2-CD2 3.25Å; H50-L75 WeakPolarHBondContact O-CA 3.31Å; K51-L75 HydrophobicContact CB-CB 4.45Å; K51-L75 HydrophobicContact CB-CD1 4.07Å; K51-L75 HydrophobicContact CG-CB 4.38Å; L75-P85 CarbonylContact O-C 3.59Å; L75-P85 WeakPolarHBondContact O-CA 3.47Å; L75-E86 HydrophobicContact CB-CB 4.23Å; L75-E86 PolarHBondContact N-O 3Å; L75-E86 PolarHBondContact O-N 3.29Å
76Y98.3Very high94.4Very high4 Ų456.7 Ų56.72%0.01631%0.307CS..EExtended strand (participates in β ladder)trans-78130.3167.3-65.1-82.8000108.7A13 V16 G49 H50 Y52 V74 P85 E154A13-Y76 WeakPolarHBondContact CA-OH 3.36Å; A13-Y76 HydrophobicContact CB-CE2 4.12Å; A13-Y76 PolarHBondContact N-OH 2.89Å; V16-Y76 HydrophobicContact CG2-CE1 4.12Å; V16-Y76 VanDerWaalsContact CG2-OH 3.26Å; V16-Y76 WeakPolarHBondContact CG2-OH 3.42Å; G49-Y76 CarbonylContact C-O 3.57Å; G49-Y76 WeakPolarHBondContact CA-O 3.32Å; H50-Y76 PolarHBondContact N-O 3.1Å; H50-Y76 VanDerWaalsContact N-O 3.1Å; H50-Y76 PolarHBondContact O-N 3.44Å; Y52-Y76 AromaticContact CD2-CD2 3.67Å; Y52-Y76 HydrophobicContact CD2-CD2 3.67Å; Y52-Y76 AromaticContact CD2-CE2 3.67Å; Y52-Y76 HydrophobicContact CD2-CE2 3.67Å; Y52-Y76 AromaticContact CE2-CD2 3.57Å; Y52-Y76 HydrophobicContact CE2-CD2 3.57Å; Y52-Y76 AromaticContact CE2-CE2 3.68Å; Y52-Y76 HydrophobicContact CE2-CE2 3.68Å; V74-Y76 HydrophobicContact CG1-CD2 4.25Å; V74-Y76 HydrophobicContact CG1-CE1 4.49Å; V74-Y76 HydrophobicContact CG1-CE2 3.86Å; Y76-P85 HydrophobicContact CD1-CB 4.19Å; Y76-P85 HydrophobicContact CD1-CG 3.72Å; Y76-P85 HydrophobicContact CE1-CB 4.44Å; Y76-P85 HydrophobicContact CE1-CG 3.9Å; Y76-E154 HydrophobicContact CD1-CG 4.26Å; Y76-E154 HydrophobicContact CD2-CG 3.58Å; Y76-E154 HydrophobicContact CE2-CG 4.01Å; Y76-E154 HydrophobicContact CG-CG 3.69Å
77P96.3Very high94.6Very high26 Ų2656.3 Ų56.317%0.16931%0.305CS..EExtended strand (participates in β ladder)trans-68166.717428.2-31.2000110.7R48 M79 Q81 T83R48-P77 WeakPolarHBondContact O-CA 3.41Å; P77-M79 PolarHBondContact O-N 3.17Å; P77-Q81 HydrophobicContact CB-CB 4.24Å; P77-T83 WeakPolarHBondContact CB-OG1 3.38Å; P77-T83 WeakPolarHBondContact CG-O 3.22Å; P77-T83 WeakPolarHBondContact CG-OG1 3.4Å
78L91.8Very high94.7Very high69 Ų6954.5 Ų54.536%0.36130%0.302SS..PPolyproline II helixtrans-57139.5174.8-68.5171.4000111R48 G80 Q81R48-L78 PolarHBondContact O-N 3.37Å; L78-G80 PolarHBondContact O-N 3Å; L78-Q81 HydrophobicContact CB-CG 4.3Å; L78-Q81 WeakPolarHBondContact O-CB 3.35Å; L78-Q81 PolarHBondContact O-N 3.34Å
79M83.1Confident94.7Very high168 Ų16855.2 Ų55.283%0.82830%0.304SS*.THydrogen-bonded Turntrans-53.7129.9177.9-170.9-179.5-74.600110.7P77 D155P77-M79 PolarHBondContact O-N 3.17Å; M79-D155 WeakPolarHBondContact CE-OD2 3.24Å
80G78.4Confident94.7Very high78 Ų7857.5 Ų57.580%0.80432%0.32SS*.THydrogen-bonded Turntrans92.8-4.8-176.700000115.1L78L78-G80 PolarHBondContact O-N 3Å
81Q84.4Confident94.7Very high95 Ų9559 Ų5944%0.44433%0.326SS..  trans-80.8131.7166.2-65.7-173.7-1.300110.5P77 L78 T83P77-Q81 HydrophobicContact CB-CB 4.24Å; L78-Q81 HydrophobicContact CB-CG 4.3Å; L78-Q81 WeakPolarHBondContact O-CB 3.35Å; L78-Q81 PolarHBondContact O-N 3.34Å; Q81-T83 PolarHBondContact O-N 2.99Å
82E83.3Confident94.6Very high204 Ų20460.8 Ų60.895%0.95333%0.331SS*.  trans-82.546.4178.4-62-172.5167.100112.3
83T93.4Very high94.3Very high84 Ų8463.1 Ų63.152%0.51536%0.355SS..  trans-122.8145.2179.253.20000110.8P77 Q81P77-T83 WeakPolarHBondContact CB-OG1 3.38Å; P77-T83 WeakPolarHBondContact CG-O 3.22Å; P77-T83 WeakPolarHBondContact CG-OG1 3.4Å; Q81-T83 PolarHBondContact O-N 2.99Å
84A97Very high94Very high24 Ų2469.4 Ų69.420%0.19839%0.385CS..PPolyproline II helixtrans-70.1156.8174.600000111.8Q150A84-Q150 HydrophobicContact CB-CB 4.45Å
85P98.4Very high93.7Very high3 Ų370.8 Ų70.82%0.01939%0.393CS..PPolyproline II helixtrans-56.2138.9169.7-23.834.6000112.5V16 V74 L75 Y76 W149 S152V16-P85 HydrophobicContact CG1-CB 4.19Å; V16-P85 HydrophobicContact CG1-CG 4.33Å; V74-P85 HydrophobicContact CG1-CB 4.15Å; L75-P85 CarbonylContact O-C 3.59Å; L75-P85 WeakPolarHBondContact O-CA 3.47Å; Y76-P85 HydrophobicContact CD1-CB 4.19Å; Y76-P85 HydrophobicContact CD1-CG 3.72Å; Y76-P85 HydrophobicContact CE1-CB 4.44Å; Y76-P85 HydrophobicContact CE1-CG 3.9Å; P85-W149 WeakPolarHBondContact CD-O 3.44Å; P85-W149 PolarHBondContact O-NE1 3.45Å; P85-S152 WeakPolarHBondContact CG-O 3.31Å
86E98.6Very high93.3Very high106 Ų10672.6 Ų72.650%0.49541%0.414SS..EExtended strand (participates in β ladder)trans-82130.9170.1-60.7172.6-14900109.2R48 V74 L75R48-E86 IonicContact CZ-OE1 3.11Å; R48-E86 IonicContact NH2-OE1 3.71Å; R48-E86 PolarHBondContact NH2-OE1 2.73Å; R48-E86 IonicContact NH2-OE2 3.65Å; R48-E86 PolarHBondContact NH2-OE2 2.9Å; V74-E86 CarbonylContact C-O 3.14Å; V74-E86 WeakPolarHBondContact CA-O 3.37Å; L75-E86 HydrophobicContact CB-CB 4.23Å; L75-E86 PolarHBondContact N-O 3Å; L75-E86 PolarHBondContact O-N 3.29Å
87V98.8Very high93Very high8 Ų881.4 Ų81.45%0.04845%0.452CS..EExtended strand (participates in β ladder)trans-128.8129.4-176.6-175.50000110.9V16 A17 Y20 E73 V74V16-V87 HydrophobicContact CG1-CG2 3.99Å; A17-V87 HydrophobicContact CB-CG1 4.35Å; Y20-V87 HydrophobicContact CD1-CB 3.79Å; Y20-V87 HydrophobicContact CD1-CG1 3.5Å; Y20-V87 VanDerWaalsContact CD1-CG1 3.5Å; Y20-V87 HydrophobicContact CD2-CB 4.1Å; Y20-V87 HydrophobicContact CE1-CB 4.21Å; Y20-V87 HydrophobicContact CE1-CG1 4.17Å; Y20-V87 HydrophobicContact CE2-CB 4.49Å; Y20-V87 HydrophobicContact CG-CB 3.72Å; Y20-V87 HydrophobicContact CG-CG1 3.73Å; Y20-V87 HydrophobicContact CG-CG2 4.25Å; E73-V87 WeakPolarHBondContact O-CA 3.49Å; V74-V87 HydrophobicContact CG1-CG2 4.39Å; V74-V87 HydrophobicContact CG2-CG1 4.35Å; V74-V87 HydrophobicContact CG2-CG2 4.3Å
88N98.6Very high92.8Very high102 Ų10284.6 Ų84.655%0.54547%0.468SS..EExtended strand (participates in β ladder)trans-124.8145.9167.5-67.1-49.4000109.2A72 E73A72-N88 CarbonylContact C-O 3.56Å; A72-N88 WeakPolarHBondContact CA-O 3.39Å; A72-N88 WeakPolarHBondContact CB-O 3.42Å; E73-N88 PolarHBondContact N-O 2.83Å; E73-N88 PolarHBondContact O-N 2.78Å
89F98.6Very high93Very high33 Ų3381.6 Ų81.615%0.14545%0.452CS..EExtended strand (participates in β ladder)trans-151.4159.9174.672.9-88.5000112.8Y20 I21 Q25 T71 A72 F91Y20-F89 AromaticContact CD1-CD1 3.77Å; Y20-F89 HydrophobicContact CD1-CD1 3.77Å; Y20-F89 AromaticContact CD1-CE1 3.71Å; Y20-F89 HydrophobicContact CD1-CE1 3.71Å; Y20-F89 AromaticContact CE1-CD1 3.85Å; Y20-F89 HydrophobicContact CE1-CD1 3.85Å; Y20-F89 AromaticContact CE1-CE1 3.67Å; Y20-F89 HydrophobicContact CE1-CE1 3.67Å; I21-F89 HydrophobicContact CB-CE1 4.42Å; I21-F89 HydrophobicContact CB-CZ 4.39Å; I21-F89 HydrophobicContact CD1-CB 4.35Å; I21-F89 HydrophobicContact CD1-CD1 4.36Å; I21-F89 HydrophobicContact CD1-CD2 4Å; I21-F89 HydrophobicContact CD1-CE2 4.42Å; I21-F89 HydrophobicContact CD1-CG 3.98Å; I21-F89 HydrophobicContact CG1-CB 4.47Å; I21-F89 HydrophobicContact CG1-CD1 3.59Å; I21-F89 HydrophobicContact CG1-CD2 3.77Å; I21-F89 HydrophobicContact CG1-CE1 3.57Å; I21-F89 HydrophobicContact CG1-CE2 3.8Å; I21-F89 HydrophobicContact CG1-CG 3.67Å; I21-F89 HydrophobicContact CG1-CZ 3.69Å; Q25-F89 HydrophobicContact CG-CZ 4.33Å; Q25-F89 VanDerWaalsContact NE2-CZ 3.35Å; T71-F89 CarbonylContact O-C 3.58Å; T71-F89 VanDerWaalsContact O-CA 3.24Å; T71-F89 WeakPolarHBondContact O-CA 3.21Å; A72-F89 HydrophobicContact CB-CB 3.9Å; F89-F91 HydrophobicContact CD2-CD2 4.37Å; F89-F91 HydrophobicContact CD2-CE2 4.17Å; F89-F91 HydrophobicContact CD2-CZ 4.39Å; F89-F91 AromaticContact CE2-CD2 3.97Å; F89-F91 HydrophobicContact CE2-CD2 3.97Å; F89-F91 AromaticContact CE2-CE2 3.57Å; F89-F91 HydrophobicContact CE2-CE2 3.57Å; F89-F91 HydrophobicContact CE2-CZ 4.07Å
90T98.4Very high93.6Very high98 Ų9877.4 Ų77.460%0.60143%0.434SS*.EExtended strand (participates in β ladder)trans-142.9130.6174.5-49.90000109.3C70 T71C70-T90 WeakPolarHBondContact CA-O 3.4Å; T71-T90 PolarHBondContact N-O 3.18Å; T71-T90 PolarHBondContact O-N 3.46Å
91F98.1Very high94.5Very high31 Ų3181.4 Ų81.414%0.13643%0.431CS..EExtended strand (participates in β ladder)trans-79.8135.4169.6-68.5-60.3000111.3I21 F32 V58 V68 N69 C70 F89 G93 T95I21-F91 HydrophobicContact CD1-CE1 4.43Å; I21-F91 HydrophobicContact CD1-CZ 4.28Å; I21-F91 HydrophobicContact CG2-CE2 4.39Å; I21-F91 HydrophobicContact CG2-CZ 3.71Å; F32-F91 HydrophobicContact CZ-CZ 4.44Å; V58-F91 HydrophobicContact CG2-CD1 4.25Å; V58-F91 HydrophobicContact CG2-CE1 3.65Å; V68-F91 HydrophobicContact CG2-CB 4.5Å; V68-F91 HydrophobicContact CG2-CD1 3.58Å; V68-F91 HydrophobicContact CG2-CE1 4.07Å; V68-F91 HydrophobicContact CG2-CG 4.23Å; N69-F91 WeakPolarHBondContact O-CA 3.28Å; C70-F91 HydrophobicContact CB-CD1 3.92Å; C70-F91 HydrophobicContact CB-CE1 4Å; F89-F91 HydrophobicContact CD2-CD2 4.37Å; F89-F91 HydrophobicContact CD2-CE2 4.17Å; F89-F91 HydrophobicContact CD2-CZ 4.39Å; F89-F91 AromaticContact CE2-CD2 3.97Å; F89-F91 HydrophobicContact CE2-CD2 3.97Å; F89-F91 AromaticContact CE2-CE2 3.57Å; F89-F91 HydrophobicContact CE2-CE2 3.57Å; F89-F91 HydrophobicContact CE2-CZ 4.07Å; F91-G93 PolarHBondContact O-N 3Å; F91-T95 HydrophobicContact CB-CG2 3.84Å; F91-T95 HydrophobicContact CD1-CG2 4.28Å; F91-T95 HydrophobicContact CD2-CG2 3.4Å; F91-T95 HydrophobicContact CE2-CG2 3.91Å; F91-T95 HydrophobicContact CG-CG2 3.57Å
92E95.8Very high95.1Very high83 Ų8380.8 Ų80.839%0.38843%0.428SS..EExtended strand (participates in β ladder)trans-9271.4173.3-54.5177.2173.300108.7K55 N69 T71K55-E92 IonicContact NZ-OE1 2.82Å; K55-E92 PolarHBondContact NZ-OE1 3.38Å; N69-E92 HydrophobicContact CB-CB 4.07Å; N69-E92 HydrophobicContact CB-CG 4.26Å; N69-E92 WeakPolarHBondContact CB-OE2 3.18Å; N69-E92 PolarHBondContact ND2-OE2 3.33Å; N69-E92 PolarHBondContact O-N 3.1Å; T71-E92 PolarHBondContact OG1-OE1 3.32Å
93G92.9Very high95.8Very high50 Ų5071.2 Ų71.252%0.51538%0.384SS..SBendtrans143175179.300000113.5F91F91-G93 PolarHBondContact O-N 3Å
94E92.2Very high96.1Very high183 Ų18370 Ų7086%0.85537%0.374SS*.  trans-73.7135.5173.5-67.9-176.6-175.900110.6V68 G96V68-E94 WeakPolarHBondContact CG1-O 3.33Å; E94-G96 VanDerWaalsContact C-N 3.3Å
95T92.4Very high96.1Very high29 Ų2973.7 Ų73.718%0.17839%0.394CS..  trans-97.623179.160.50000112.4R30 V66 V68 F91R30-T95 VanDerWaalsContact CZ-O 3.24Å; R30-T95 PolarHBondContact NH1-O 2.92Å; R30-T95 PolarHBondContact NH2-O 2.91Å; R30-T95 PolarHBondContact NH2-OG1 2.84Å; V66-T95 WeakPolarHBondContact CG2-O 3.21Å; V68-T95 HydrophobicContact CG2-CG2 4.26Å; F91-T95 HydrophobicContact CB-CG2 3.84Å; F91-T95 HydrophobicContact CD1-CG2 4.28Å; F91-T95 HydrophobicContact CD2-CG2 3.4Å; F91-T95 HydrophobicContact CE2-CG2 3.91Å; F91-T95 HydrophobicContact CG-CG2 3.57Å
96G90.7Very high96.1Very high46 Ų4673.8 Ų73.847%0.47439%0.394SS..  trans67.8-175.9-178.200000113.7E94E94-G96 VanDerWaalsContact C-N 3.3Å
97K91.8Very high96.1Very high190 Ų19069.4 Ų69.483%0.82637%0.373SS*.  trans-78154.9176.3-64.9-176.9179.2-178.70110.8R30R30-K97 PolarHBondContact NH1-O 3.36Å; R30-K97 VanDerWaalsContact NH1-O 3.16Å
98N92.1Very high96Very high93 Ų9374.4 Ų74.450%0.49740%0.396SS..  trans-71.7143.5168.5-66.5-21.3000109.7D100N98-D100 WeakPolarHBondContact CB-OD1 3.31Å; N98-D100 PolarHBondContact O-N 3.29Å
99P95.8Very high95.9Very high5 Ų575 Ų753%0.03239%0.391CS..  trans-80.555.5178.235.9-37.4000111.6H29 R30 E101 E102 D103H29-P99 HydrophobicContact CB-CB 3.73Å; H29-P99 HydrophobicContact CB-CG 3.64Å; R30-P99 HydrophobicContact CB-CG 4.13Å; P99-E101 VanDerWaalsContact C-N 3.35Å; P99-E101 PolarHBondContact O-N 2.74Å; P99-E102 VanDerWaalsContact C-OE2 3.26Å; P99-E102 WeakPolarHBondContact CA-OE2 3.18Å; P99-E102 HydrophobicContact CB-CB 4.45Å; P99-E102 PolarHBondContact O-N 3.24Å; P99-D103 WeakPolarHBondContact O-CB 3.43Å; P99-D103 PolarHBondContact O-N 3.14Å
100D96.5Very high95.7Very high81 Ų8173.8 Ų73.843%0.43339%0.386SS..Hα-helixtrans-65.3-36.9-169.3-64.1-31.8000112N98 N104N98-D100 WeakPolarHBondContact CB-OD1 3.31Å; N98-D100 PolarHBondContact O-N 3.29Å; D100-N104 VanDerWaalsContact O-CB 3.28Å; D100-N104 WeakPolarHBondContact O-CB 3.47Å; D100-N104 VanDerWaalsContact O-CG 3.3Å; D100-N104 PolarHBondContact O-N 2.85Å; D100-N104 PolarHBondContact O-ND2 3.47Å
101E97.3Very high95.6Very high162 Ų16273.1 Ų73.176%0.75738%0.375SS*.Hα-helixtrans-69.3-42.2179.7-68-176.3-176.800111.5P99 N104 T105P99-E101 VanDerWaalsContact C-N 3.35Å; P99-E101 PolarHBondContact O-N 2.74Å; E101-N104 PolarHBondContact O-N 3.31Å; E101-T105 WeakPolarHBondContact O-CB 3.42Å; E101-T105 PolarHBondContact O-N 3.35Å; E101-T105 PolarHBondContact O-OG1 3.14Å
102E97.3Very high95.4Very high81 Ų8176 Ų7638%0.37940%0.398SS..Hα-helixtrans-67.8-43.9177.9-60.192.9149.800111.2H29 P99 T105 F106H29-E102 HydrophobicContact CB-CB 4.41Å; H29-E102 PolarHBondContact CE1-O 2.89Å; P99-E102 VanDerWaalsContact C-OE2 3.26Å; P99-E102 WeakPolarHBondContact CA-OE2 3.18Å; P99-E102 HydrophobicContact CB-CB 4.45Å; P99-E102 PolarHBondContact O-N 3.24Å; E102-T105 WeakPolarHBondContact O-CB 3.48Å; E102-T105 PolarHBondContact O-N 2.75Å; E102-F106 PolarHBondContact O-N 2.84Å
103D98.2Very high95.3Very high3 Ų375.6 Ų75.62%0.01640%0.397CS..Hα-helixtrans-63.9-41.5175.5-76.5-24.5000111.7T27 P28 H29 P99 T105 F106 Y107 W201 P203T27-D103 WeakPolarHBondContact CB-OD2 3.38Å; T27-D103 WeakPolarHBondContact CG2-OD2 3.28Å; T27-D103 PolarHBondContact OG1-OD1 3.04Å; T27-D103 PolarHBondContact OG1-OD2 3.09Å; P28-D103 WeakPolarHBondContact CD-OD1 3.44Å; H29-D103 IonicContact CE1-OD1 2.88Å; H29-D103 IonicContact CG-OD1 2.81Å; H29-D103 PolarHBondContact N-OD1 3.05Å; H29-D103 IonicContact ND1-OD1 3.73Å; H29-D103 PolarHBondContact ND1-OD1 2.86Å; P99-D103 WeakPolarHBondContact O-CB 3.43Å; P99-D103 PolarHBondContact O-N 3.14Å; D103-T105 VanDerWaalsContact C-N 3.33Å; D103-T105 PolarHBondContact O-N 3.06Å; D103-F106 PolarHBondContact O-N 2.99Å; D103-Y107 WeakPolarHBondContact O-CB 3.42Å; D103-Y107 PolarHBondContact O-N 3.1Å; D103-W201 HydrophobicContact CB-CZ2 4.21Å; D103-W201 WeakPolarHBondContact O-CH2 3.41Å; D103-P203 HydrophobicContact CB-CB 4.22Å
104N98.3Very high95.2Very high59 Ų5983 Ų8332%0.31642%0.416SS..Hα-helixtrans-63.5-38.4173.7-81.5-58000112.1D100 E101 Y107 Q108 P203D100-N104 VanDerWaalsContact O-CB 3.28Å; D100-N104 WeakPolarHBondContact O-CB 3.47Å; D100-N104 VanDerWaalsContact O-CG 3.3Å; D100-N104 PolarHBondContact O-N 2.85Å; D100-N104 PolarHBondContact O-ND2 3.47Å; E101-N104 PolarHBondContact O-N 3.31Å; N104-Y107 WeakPolarHBondContact O-CB 3.45Å; N104-Y107 PolarHBondContact O-N 2.75Å; N104-Q108 WeakPolarHBondContact O-CG 3.42Å; N104-Q108 PolarHBondContact O-N 3.41Å; N104-P203 VanDerWaalsContact OD1-CG 3.28Å; N104-P203 WeakPolarHBondContact OD1-CG 3.39Å
105T97.9Very high95.3Very high101 Ų10181.2 Ų81.262%0.6241%0.407SS*.Hα-helixtrans-62.8-43.9176.3-61.40000111.2E101 E102 D103 Q108 R109E101-T105 WeakPolarHBondContact O-CB 3.42Å; E101-T105 PolarHBondContact O-N 3.35Å; E101-T105 PolarHBondContact O-OG1 3.14Å; E102-T105 WeakPolarHBondContact O-CB 3.48Å; E102-T105 PolarHBondContact O-N 2.75Å; D103-T105 VanDerWaalsContact C-N 3.33Å; D103-T105 PolarHBondContact O-N 3.06Å; T105-Q108 PolarHBondContact O-N 2.98Å; T105-R109 WeakPolarHBondContact O-CB 3.43Å; T105-R109 PolarHBondContact O-N 3.24Å
106F97.5Very high95.3Very high6 Ų682 Ų823%0.02641%0.413CS..Hα-helixtrans-63.8-41.6175.2178.6-125000112.3P28 E102 D103 R109 L110 L135 L136 L139 W201P28-F106 HydrophobicContact CB-CD1 3.83Å; P28-F106 HydrophobicContact CB-CE1 3.97Å; P28-F106 HydrophobicContact CG-CD1 3.78Å; P28-F106 HydrophobicContact CG-CE1 3.83Å; E102-F106 PolarHBondContact O-N 2.84Å; D103-F106 PolarHBondContact O-N 2.99Å; F106-R109 WeakPolarHBondContact O-CB 3.45Å; F106-R109 PolarHBondContact O-N 3.05Å; F106-L110 HydrophobicContact CD1-CD1 4.31Å; F106-L110 HydrophobicContact CD2-CG 4.35Å; F106-L110 HydrophobicContact CE1-CD1 3.76Å; F106-L110 HydrophobicContact CE2-CD1 3.98Å; F106-L110 HydrophobicContact CE2-CD2 4.13Å; F106-L110 HydrophobicContact CE2-CG 3.96Å; F106-L110 HydrophobicContact CZ-CD1 3.59Å; F106-L110 HydrophobicContact CZ-CD2 4.33Å; F106-L110 HydrophobicContact CZ-CG 4.09Å; F106-L110 PolarHBondContact O-N 3.17Å; F106-L135 HydrophobicContact CB-CD1 3.92Å; F106-L135 HydrophobicContact CD1-CB 4.31Å; F106-L135 HydrophobicContact CD2-CB 3.82Å; F106-L135 HydrophobicContact CD2-CD1 3.58Å; F106-L135 HydrophobicContact CD2-CG 4.37Å; F106-L135 HydrophobicContact CE1-CB 4.11Å; F106-L135 HydrophobicContact CE2-CB 3.61Å; F106-L135 HydrophobicContact CE2-CD1 4.22Å; F106-L135 HydrophobicContact CG-CB 4.16Å; F106-L135 HydrophobicContact CG-CD1 3.78Å; F106-L135 HydrophobicContact CZ-CB 3.74Å; F106-L136 HydrophobicContact CE2-CG 4.46Å; F106-L136 HydrophobicContact CZ-CD2 3.95Å; F106-L136 HydrophobicContact CZ-CG 4.09Å; F106-L139 HydrophobicContact CE1-CD2 4.49Å; F106-W201 AromaticContact CD1-CH2 3.62Å; F106-W201 HydrophobicContact CD1-CH2 3.62Å; F106-W201 HydrophobicContact CD1-CZ2 4.32Å; F106-W201 AromaticContact CD1-CZ3 3.83Å; F106-W201 HydrophobicContact CD1-CZ3 3.83Å; F106-W201 HydrophobicContact CE1-CH2 4.33Å; F106-W201 HydrophobicContact CE1-CZ3 4.2Å; F106-W201 HydrophobicContact CG-CH2 4.48Å
107Y98.3Very high95.5Very high14 Ų1480.3 Ų80.36%0.05539%0.393CS..Hα-helixtrans-58.1-51.1174.5172.2-105.7000112.4D103 N104 R109 L110 K111 D174 I176 W201 H202 P203D103-Y107 WeakPolarHBondContact O-CB 3.42Å; D103-Y107 PolarHBondContact O-N 3.1Å; N104-Y107 WeakPolarHBondContact O-CB 3.45Å; N104-Y107 PolarHBondContact O-N 2.75Å; Y107-R109 VanDerWaalsContact C-N 3.26Å; Y107-R109 PolarHBondContact O-N 3.47Å; Y107-L110 PolarHBondContact O-N 3.04Å; Y107-L110 VanDerWaalsContact O-N 3.15Å; Y107-K111 HydrophobicContact CD2-CG 4.27Å; Y107-K111 HydrophobicContact CE1-CG 4.04Å; Y107-K111 HydrophobicContact CE2-CD 3.96Å; Y107-K111 HydrophobicContact CE2-CG 3.72Å; Y107-K111 WeakPolarHBondContact O-CG 3.18Å; Y107-K111 PolarHBondContact O-N 2.94Å; Y107-D174 VanDerWaalsContact CE2-O 3.23Å; Y107-D174 WeakPolarHBondContact CE2-O 3.3Å; Y107-D174 PolarHBondContact OH-O 2.81Å; Y107-I176 HydrophobicContact CD2-CD1 4.24Å; Y107-I176 HydrophobicContact CD2-CG1 3.83Å; Y107-I176 HydrophobicContact CE2-CD1 4.11Å; Y107-I176 HydrophobicContact CE2-CG1 3.96Å; Y107-W201 HydrophobicContact CD2-CZ3 4.06Å; Y107-W201 HydrophobicContact CG-CZ3 4.4Å; Y107-H202 AromaticContact CE2-CD2 3.79Å; Y107-H202 AromaticContact CZ-CD2 3.87Å; Y107-P203 HydrophobicContact CD1-CG 4.18Å; Y107-P203 HydrophobicContact CD2-CG 4.39Å; Y107-P203 HydrophobicContact CG-CG 3.88Å
108Q97.9Very high95.8Very high113 Ų11377.8 Ų77.853%0.52838%0.384SS..Hα-helixtrans-62.6-35.9178.6-65.9-58.6-26.700111.9N104 T105 K111 S112N104-Q108 WeakPolarHBondContact O-CG 3.42Å; N104-Q108 PolarHBondContact O-N 3.41Å; T105-Q108 PolarHBondContact O-N 2.98Å; Q108-K111 PolarHBondContact O-N 3.49Å; Q108-S112 WeakPolarHBondContact O-CB 3.46Å; Q108-S112 PolarHBondContact O-N 3.45Å; Q108-S112 PolarHBondContact O-OG 3Å
109R95.8Very high96Very high115 Ų11574.1 Ų74.143%0.43437%0.367SS..Hα-helixtrans-59.7-48.7173.1-177.1-176.8176176.23.1111.5T105 F106 Y107 K111 S112 M113 E132T105-R109 WeakPolarHBondContact O-CB 3.43Å; T105-R109 PolarHBondContact O-N 3.24Å; F106-R109 WeakPolarHBondContact O-CB 3.45Å; F106-R109 PolarHBondContact O-N 3.05Å; Y107-R109 VanDerWaalsContact C-N 3.26Å; Y107-R109 PolarHBondContact O-N 3.47Å; R109-K111 PolarHBondContact O-N 3.33Å; R109-S112 PolarHBondContact O-N 2.93Å; R109-S112 PolarHBondContact O-OG 2.95Å; R109-S112 VanDerWaalsContact O-OG 3.08Å; R109-M113 WeakPolarHBondContact O-CG 3.46Å; R109-M113 PolarHBondContact O-N 3.22Å; R109-E132 VanDerWaalsContact NH2-CB 3.3Å
110L95.5Very high96.1Very high6 Ų680.2 Ų80.23%0.03140%0.395CS..Hα-helixtrans-65.9-35.4179.2-68.9178000112.8F106 Y107 S112 M113 L117 L136 Q168 I176 W201F106-L110 HydrophobicContact CD1-CD1 4.31Å; F106-L110 HydrophobicContact CD2-CG 4.35Å; F106-L110 HydrophobicContact CE1-CD1 3.76Å; F106-L110 HydrophobicContact CE2-CD1 3.98Å; F106-L110 HydrophobicContact CE2-CD2 4.13Å; F106-L110 HydrophobicContact CE2-CG 3.96Å; F106-L110 HydrophobicContact CZ-CD1 3.59Å; F106-L110 HydrophobicContact CZ-CD2 4.33Å; F106-L110 HydrophobicContact CZ-CG 4.09Å; F106-L110 PolarHBondContact O-N 3.17Å; Y107-L110 PolarHBondContact O-N 3.04Å; Y107-L110 VanDerWaalsContact O-N 3.15Å; L110-S112 VanDerWaalsContact C-N 3.35Å; L110-M113 HydrophobicContact CD2-SD 4.04Å; L110-L117 HydrophobicContact CD2-CD2 4.44Å; L110-L136 HydrophobicContact CD2-CD2 4.43Å; L110-Q168 PolarHBondContact O-NE2 2.78Å; L110-I176 HydrophobicContact CB-CD1 3.84Å; L110-I176 HydrophobicContact CB-CG1 4.29Å; L110-I176 HydrophobicContact CD1-CG1 4.16Å; L110-I176 HydrophobicContact CD1-CG2 3.9Å; L110-W201 HydrophobicContact CD1-CZ3 4.36Å
111K95Very high96.2Very high85 Ų8579.4 Ų79.437%0.3739%0.39SS..Hα-helixtrans-71.4-27.2176.3-68.5-68.3-72.5-166.50113.5Y107 Q108 R109 D173 I176Y107-K111 HydrophobicContact CD2-CG 4.27Å; Y107-K111 HydrophobicContact CE1-CG 4.04Å; Y107-K111 HydrophobicContact CE2-CD 3.96Å; Y107-K111 HydrophobicContact CE2-CG 3.72Å; Y107-K111 WeakPolarHBondContact O-CG 3.18Å; Y107-K111 PolarHBondContact O-N 2.94Å; Q108-K111 PolarHBondContact O-N 3.49Å; R109-K111 PolarHBondContact O-N 3.33Å; K111-D173 PolarHBondContact NZ-O 3.23Å; K111-D173 VanDerWaalsContact NZ-O 3.11Å; K111-I176 HydrophobicContact CD-CD1 3.61Å; K111-I176 HydrophobicContact CG-CD1 3.97Å
112S94.6Very high96.2Very high90 Ų9072.1 Ų72.163%0.62936%0.357SS*.THydrogen-bonded Turntrans-92.5-1.1-17757.10000114.2Q108 R109 L110 K114Q108-S112 WeakPolarHBondContact O-CB 3.46Å; Q108-S112 PolarHBondContact O-N 3.45Å; Q108-S112 PolarHBondContact O-OG 3Å; R109-S112 PolarHBondContact O-N 2.93Å; R109-S112 PolarHBondContact O-OG 2.95Å; R109-S112 VanDerWaalsContact O-OG 3.08Å; L110-S112 VanDerWaalsContact C-N 3.35Å; S112-K114 PolarHBondContact O-N 2.85Å
113M93.1Very high96.3Very high76 Ų7669.5 Ų69.537%0.37435%0.347SS..  trans-62.7132.8175-64.9-172.963.600110.5R109 L110 E115 L117R109-M113 WeakPolarHBondContact O-CG 3.46Å; R109-M113 PolarHBondContact O-N 3.22Å; L110-M113 HydrophobicContact CD2-SD 4.04Å; M113-E115 WeakPolarHBondContact CB-O 3.34Å; M113-L117 HydrophobicContact CE-CB 3.91Å; M113-L117 HydrophobicContact CE-CD1 3.92Å; M113-L117 HydrophobicContact SD-CB 4.01Å; M113-L117 HydrophobicContact SD-CD1 4.3Å
114K91.3Very high96.2Very high206 Ų20672.1 Ų72.190%0.89636%0.361SS*.SBendtrans-66.8-41.2179.6-67.8-176.3179.2-179.10112.1S112S112-K114 PolarHBondContact O-N 2.85Å
115E93.4Very high96Very high145 Ų14576 Ų7668%0.67838%0.381SS*.SBendtrans-114.2147.8176.4-63.9-58.6149.700109.1M113 L117M113-E115 WeakPolarHBondContact CB-O 3.34Å; E115-L117 PolarHBondContact O-N 3.14Å
116P93.4Very high95.9Very high45 Ų4579.7 Ų79.729%0.29239%0.389SS..  trans-54134172.1-23.734000110.9E118 Q168 Q170P116-E118 PolarHBondContact O-N 3.18Å; P116-Q168 HydrophobicContact CB-CB 4.23Å; P116-Q170 HydrophobicContact CG-CG 4.01Å
117L95.2Very high95.8Very high11 Ų1182 Ų826%0.05841%0.414CS..  trans-55.9130.9175173.484.5000110.7L110 M113 E115 M133 L136 K167 Q168 L178L110-L117 HydrophobicContact CD2-CD2 4.44Å; M113-L117 HydrophobicContact CE-CB 3.91Å; M113-L117 HydrophobicContact CE-CD1 3.92Å; M113-L117 HydrophobicContact SD-CB 4.01Å; M113-L117 HydrophobicContact SD-CD1 4.3Å; E115-L117 PolarHBondContact O-N 3.14Å; L117-M133 HydrophobicContact CD1-CE 4.12Å; L117-M133 HydrophobicContact CD1-SD 4.44Å; L117-L136 HydrophobicContact CD1-CD1 3.75Å; L117-L136 HydrophobicContact CD2-CD1 3.35Å; L117-L136 HydrophobicContact CD2-CD2 3.39Å; L117-L136 HydrophobicContact CD2-CG 3.99Å; L117-L136 HydrophobicContact CG-CD1 4.13Å; L117-K167 CarbonylContact O-C 3.49Å; L117-K167 WeakPolarHBondContact O-CA 3.47Å; L117-Q168 HydrophobicContact CB-CB 3.96Å; L117-Q168 PolarHBondContact O-N 3.24Å; L117-L178 HydrophobicContact CD2-CD2 4.1Å
118E97.1Very high95.7Very high136 Ų13686 Ų8664%0.63644%0.436SS*.EExtended strand (participates in β ladder)trans-140126.1169.8-168.8167.8152.800109P116 V166 K167P116-E118 PolarHBondContact O-N 3.18Å; E118-V166 WeakPolarHBondContact CA-O 3.15Å; E118-K167 WeakPolarHBondContact OE2-CE 3.27Å; E118-K167 IonicContact OE2-NZ 2.78Å; E118-K167 PolarHBondContact OE2-NZ 2.96Å
119A97.1Very high95.7Very high17 Ų1782.8 Ų82.814%0.1443%0.425CS..EExtended strand (participates in β ladder)trans-153.1164.5-178.300000111.7I122 M133 T165 V166A119-I122 HydrophobicContact CB-CD1 3.87Å; A119-M133 HydrophobicContact CB-CE 3.92Å; A119-M133 HydrophobicContact CB-SD 3.84Å; A119-T165 CarbonylContact O-C 3.57Å; A119-T165 WeakPolarHBondContact O-CA 3.35Å; A119-V166 HydrophobicContact CB-CG1 3.87Å; A119-V166 PolarHBondContact N-O 3.44Å; A119-V166 PolarHBondContact O-N 3.25Å
120Q97.8Very high95.6Very high133 Ų13379.7 Ų79.762%0.62142%0.42SS*.EExtended strand (participates in β ladder)trans-151.3159-175.260178.7-5.100112.2Q164 T165Q120-Q164 CarbonylContact C-O 3.57Å; Q120-Q164 WeakPolarHBondContact CA-O 3.33Å; Q120-Q164 VanDerWaalsContact CB-O 3.22Å; Q120-Q164 WeakPolarHBondContact CB-O 3.28Å; Q120-T165 HydrophobicContact CB-CG2 4.22Å
121N97.5Very high95.4Very high64 Ų6484.3 Ų84.334%0.34245%0.451SS..EExtended strand (participates in β ladder)trans52.167.5177-64.6-58.9000113.4P123 D124 K162 I163 Q164N121-P123 CarbonylContact C-O 3.5Å; N121-P123 CarbonylContact O-C 3.55Å; N121-D124 WeakPolarHBondContact O-CA 3.29Å; N121-D124 PolarHBondContact O-N 2.93Å; N121-K162 PolarHBondContact OD1-NZ 3.5Å; N121-I163 CarbonylContact C-O 3.58Å; N121-I163 VanDerWaalsContact CA-O 3.29Å; N121-I163 WeakPolarHBondContact CA-O 3.2Å; N121-I163 PolarHBondContact N-O 2.92Å; N121-Q164 PolarHBondContact N-O 2.97Å
122I98.3Very high94.9Very high9 Ų984.5 Ų84.55%0.04645%0.453CS..EExtended strand (participates in β ladder)trans-123.9112.6-178.6-47.1166.7000109.4A119 V129 M133 L137 K162 I163 V166A119-I122 HydrophobicContact CB-CD1 3.87Å; I122-V129 HydrophobicContact CG2-CG1 3.87Å; I122-V129 HydrophobicContact CG2-CG2 4.26Å; I122-M133 HydrophobicContact CD1-CB 4.06Å; I122-M133 HydrophobicContact CD1-CG 4.05Å; I122-M133 HydrophobicContact CD1-SD 3.94Å; I122-M133 HydrophobicContact CG2-CB 4.11Å; I122-L137 HydrophobicContact CG2-CB 4.3Å; I122-K162 CarbonylContact O-C 3.59Å; I122-K162 WeakPolarHBondContact O-CA 3.48Å; I122-K162 WeakPolarHBondContact O-CB 3.44Å; I122-I163 HydrophobicContact CB-CB 4.2Å; I122-I163 HydrophobicContact CB-CD1 4.32Å; I122-I163 HydrophobicContact CD1-CD1 4.47Å; I122-I163 PolarHBondContact N-O 2.81Å; I122-I163 PolarHBondContact O-N 3.47Å; I122-V166 HydrophobicContact CD1-CG1 4.33Å
123P98.3Very high94.9Very high26 Ų2682.2 Ų82.217%0.16943%0.433CS..SBendcis-63.1162.6-7.8-17.831.1000113.6N121 N128 V129 L137N121-P123 CarbonylContact C-O 3.5Å; N121-P123 CarbonylContact O-C 3.55Å; P123-N128 WeakPolarHBondContact CA-O 3.42Å; P123-V129 HydrophobicContact CB-CG2 3.7Å; P123-V129 HydrophobicContact CG-CG2 3.64Å; P123-L137 HydrophobicContact CG-CD2 4.09Å
124D96.1Very high95.1Very high58 Ų5880.7 Ų80.731%0.3143%0.428SS..  trans-71-179.4170.577.15.9000111.6N121 F126 G127 N128N121-D124 WeakPolarHBondContact O-CA 3.29Å; N121-D124 PolarHBondContact O-N 2.93Å; D124-F126 PolarHBondContact O-N 3.03Å; D124-F126 WeakPolarHBondContact OD1-CA 3.34Å; D124-F126 WeakPolarHBondContact OD1-CB 3.32Å; D124-F126 PolarHBondContact OD1-N 3.02Å; D124-G127 PolarHBondContact O-N 2.99Å; D124-G127 PolarHBondContact OD1-N 3.46Å; D124-G127 VanDerWaalsContact OD1-N 3.09Å; D124-N128 PolarHBondContact N-O 3.16Å; D124-N128 WeakPolarHBondContact OD1-CB 3.28Å; D124-N128 PolarHBondContact OD1-N 2.74Å; D124-N128 PolarHBondContact OD1-ND2 2.89Å; D124-N128 WeakPolarHBondContact OD2-CB 3.42Å; D124-N128 PolarHBondContact OD2-ND2 2.98Å
125N94.9Very high95.4Very high141 Ų14172.1 Ų72.175%0.75439%0.392SS*.THydrogen-bonded Turntrans-64.5-12-178.1-66.6-17.3000114.3
126F96.2Very high95.6Very high178 Ų17865.3 Ų65.378%0.78136%0.36SS*.THydrogen-bonded Turntrans-105.44.4177.2-55-77.4000112.2D124 N128D124-F126 PolarHBondContact O-N 3.03Å; D124-F126 WeakPolarHBondContact OD1-CA 3.34Å; D124-F126 WeakPolarHBondContact OD1-CB 3.32Å; D124-F126 PolarHBondContact OD1-N 3.02Å; F126-N128 VanDerWaalsContact C-N 3.34Å
127G94.7Very high95.8Very high53 Ų5363.5 Ų63.555%0.54635%0.348SS..  trans80.312.5-17800000114D124D124-G127 PolarHBondContact O-N 2.99Å; D124-G127 PolarHBondContact OD1-N 3.46Å; D124-G127 VanDerWaalsContact OD1-N 3.09Å
128N97.3Very high96Very high98 Ų9863.9 Ų63.952%0.52435%0.349SS..  trans-77.4140.8178.4-54-55.7000111P123 D124 F126P123-N128 WeakPolarHBondContact CA-O 3.42Å; D124-N128 PolarHBondContact N-O 3.16Å; D124-N128 WeakPolarHBondContact OD1-CB 3.28Å; D124-N128 PolarHBondContact OD1-N 2.74Å; D124-N128 PolarHBondContact OD1-ND2 2.89Å; D124-N128 WeakPolarHBondContact OD2-CB 3.42Å; D124-N128 PolarHBondContact OD2-ND2 2.98Å; F126-N128 VanDerWaalsContact C-N 3.34Å
129V97.4Very high96.1Very high47 Ų4757.4 Ų57.429%0.28532%0.319SS..  trans-133.4124.9171.9-176.30000107.1I122 P123 M133 L137I122-V129 HydrophobicContact CG2-CG1 3.87Å; I122-V129 HydrophobicContact CG2-CG2 4.26Å; P123-V129 HydrophobicContact CB-CG2 3.7Å; P123-V129 HydrophobicContact CG-CG2 3.64Å; V129-M133 HydrophobicContact CG1-CB 4.18Å; V129-L137 HydrophobicContact CG1-CD2 4.37Å; V129-L137 HydrophobicContact CG2-CD2 3.79Å
130S94.1Very high96.2Very high49 Ų4956.6 Ų56.634%0.34331%0.312SS..  trans-71149.9176.688.20000110.1E132 M133 T134S130-E132 WeakPolarHBondContact CB-OE2 3.39Å; S130-E132 PolarHBondContact O-N 2.98Å; S130-E132 PolarHBondContact OG-OE2 2.79Å; S130-M133 PolarHBondContact O-N 3Å; S130-M133 WeakPolarHBondContact OG-CG 3.27Å; S130-T134 PolarHBondContact O-N 2.81Å; S130-T134 VanDerWaalsContact O-N 3.14Å; S130-T134 PolarHBondContact O-OG1 3.22Å; S130-T134 VanDerWaalsContact O-OG1 3.14Å
131P89.9Confident96.2Very high103 Ų10354 Ų5467%0.66930%0.297SS*.THydrogen-bonded Turntrans-54.3-30.9179.4-26.735.5000113.7M133P131-M133 VanDerWaalsContact C-N 3.31Å
132E86.1Confident96.3Very high90 Ų9051 Ų5142%0.42128%0.281SS..THydrogen-bonded Turntrans-69.6-28.4177.7-54.977.7-16100113.1R109 S130R109-E132 VanDerWaalsContact NH2-CB 3.3Å; S130-E132 WeakPolarHBondContact CB-OE2 3.39Å; S130-E132 PolarHBondContact O-N 2.98Å; S130-E132 PolarHBondContact OG-OE2 2.79Å
133M94.2Very high96.3Very high41 Ų4150.6 Ų50.620%0.20228%0.278CS..THydrogen-bonded Turntrans-98.7-14.8-173.9-64.7-59.1160.900113.4L117 A119 I122 V129 S130 P131 L135 L136 L137L117-M133 HydrophobicContact CD1-CE 4.12Å; L117-M133 HydrophobicContact CD1-SD 4.44Å; A119-M133 HydrophobicContact CB-CE 3.92Å; A119-M133 HydrophobicContact CB-SD 3.84Å; I122-M133 HydrophobicContact CD1-CB 4.06Å; I122-M133 HydrophobicContact CD1-CG 4.05Å; I122-M133 HydrophobicContact CD1-SD 3.94Å; I122-M133 HydrophobicContact CG2-CB 4.11Å; V129-M133 HydrophobicContact CG1-CB 4.18Å; S130-M133 PolarHBondContact O-N 3Å; S130-M133 WeakPolarHBondContact OG-CG 3.27Å; P131-M133 VanDerWaalsContact C-N 3.31Å; M133-L135 VanDerWaalsContact C-N 3.34Å; M133-L135 PolarHBondContact O-N 3.48Å; M133-L136 WeakPolarHBondContact O-CB 3.35Å; M133-L136 PolarHBondContact O-N 2.91Å; M133-L136 VanDerWaalsContact O-N 3.1Å; M133-L136 HydrophobicContact SD-CD1 3.48Å; M133-L136 WeakPolarHBondContact SD-CD1 3.39Å; M133-L137 PolarHBondContact O-N 2.95Å
134T96.9Very high96.3Very high44 Ų4449.4 Ų49.427%0.2727%0.271SS..Hα-helixtrans-53.3-48-179.2-58.30000112.7S130 L136 L137 H138S130-T134 PolarHBondContact O-N 2.81Å; S130-T134 VanDerWaalsContact O-N 3.14Å; S130-T134 PolarHBondContact O-OG1 3.22Å; S130-T134 VanDerWaalsContact O-OG1 3.14Å; T134-L136 VanDerWaalsContact C-N 3.29Å; T134-L136 PolarHBondContact O-N 3.24Å; T134-L137 WeakPolarHBondContact O-CB 3.22Å; T134-L137 PolarHBondContact O-N 3.49Å; T134-H138 WeakPolarHBondContact CG2-CE1 3.21Å; T134-H138 WeakPolarHBondContact CG2-NE2 3.35Å; T134-H138 PolarHBondContact O-CD2 3.31Å; T134-H138 VanDerWaalsContact O-CD2 3.24Å; T134-H138 VanDerWaalsContact O-CG 3.25Å; T134-H138 PolarHBondContact O-N 2.8Å
135L97.5Very high96.5Very high27 Ų2746.6 Ų46.614%0.14126%0.256CS..Hα-helixtrans-71.3-25.6-178.2-58.8-179.5000113P28 H29 F106 M133 L139P28-L135 HydrophobicContact CB-CB 4.33Å; P28-L135 WeakPolarHBondContact O-CD2 3.12Å; H29-L135 VanDerWaalsContact NE2-CD1 3.34Å; H29-L135 WeakPolarHBondContact NE2-CD1 3.5Å; H29-L135 VanDerWaalsContact NE2-CD2 3.29Å; H29-L135 WeakPolarHBondContact NE2-CD2 3.34Å; F106-L135 HydrophobicContact CB-CD1 3.92Å; F106-L135 HydrophobicContact CD1-CB 4.31Å; F106-L135 HydrophobicContact CD2-CB 3.82Å; F106-L135 HydrophobicContact CD2-CD1 3.58Å; F106-L135 HydrophobicContact CD2-CG 4.37Å; F106-L135 HydrophobicContact CE1-CB 4.11Å; F106-L135 HydrophobicContact CE2-CB 3.61Å; F106-L135 HydrophobicContact CE2-CD1 4.22Å; F106-L135 HydrophobicContact CG-CB 4.16Å; F106-L135 HydrophobicContact CG-CD1 3.78Å; F106-L135 HydrophobicContact CZ-CB 3.74Å; M133-L135 VanDerWaalsContact C-N 3.34Å; M133-L135 PolarHBondContact O-N 3.48Å; L135-L139 WeakPolarHBondContact O-CB 3.41Å; L135-L139 PolarHBondContact O-N 2.92Å
136L97.4Very high96.6Very high2 Ų242.4 Ų42.41%0.0123%0.23CC..Hα-helixtrans-71.9-37.4172.1-69.9161.1000111.6F106 L110 L117 M133 T134 A140 L178 Y180F106-L136 HydrophobicContact CE2-CG 4.46Å; F106-L136 HydrophobicContact CZ-CD2 3.95Å; F106-L136 HydrophobicContact CZ-CG 4.09Å; L110-L136 HydrophobicContact CD2-CD2 4.43Å; L117-L136 HydrophobicContact CD1-CD1 3.75Å; L117-L136 HydrophobicContact CD2-CD1 3.35Å; L117-L136 HydrophobicContact CD2-CD2 3.39Å; L117-L136 HydrophobicContact CD2-CG 3.99Å; L117-L136 HydrophobicContact CG-CD1 4.13Å; M133-L136 WeakPolarHBondContact O-CB 3.35Å; M133-L136 PolarHBondContact O-N 2.91Å; M133-L136 VanDerWaalsContact O-N 3.1Å; M133-L136 HydrophobicContact SD-CD1 3.48Å; M133-L136 WeakPolarHBondContact SD-CD1 3.39Å; T134-L136 VanDerWaalsContact C-N 3.29Å; T134-L136 PolarHBondContact O-N 3.24Å; L136-A140 WeakPolarHBondContact O-CB 3.17Å; L136-A140 PolarHBondContact O-N 2.8Å; L136-L178 HydrophobicContact CD2-CD1 3.76Å; L136-Y180 PolarHBondContact O-OH 2.95Å; L136-Y180 VanDerWaalsContact O-OH 3.1Å
137L98.5Very high96.8Very high6 Ų634 Ų343%0.03119%0.193CC..Hα-helixtrans-64.8-44172.3179.661.3000111.2I122 P123 V129 M133 T134 A140 W141 M160 I163I122-L137 HydrophobicContact CG2-CB 4.3Å; P123-L137 HydrophobicContact CG-CD2 4.09Å; V129-L137 HydrophobicContact CG1-CD2 4.37Å; V129-L137 HydrophobicContact CG2-CD2 3.79Å; M133-L137 PolarHBondContact O-N 2.95Å; T134-L137 WeakPolarHBondContact O-CB 3.22Å; T134-L137 PolarHBondContact O-N 3.49Å; L137-A140 CarbonylContact O-C 3.5Å; L137-A140 WeakPolarHBondContact O-CB 3.41Å; L137-A140 PolarHBondContact O-N 2.77Å; L137-W141 HydrophobicContact CD1-CZ2 4.38Å; L137-W141 HydrophobicContact CD2-CH2 4.23Å; L137-W141 HydrophobicContact CD2-CZ2 3.76Å; L137-W141 HydrophobicContact CG-CD2 4.41Å; L137-W141 HydrophobicContact CG-CH2 4.43Å; L137-W141 HydrophobicContact CG-CZ2 3.86Å; L137-W141 PolarHBondContact O-N 2.94Å; L137-M160 HydrophobicContact CD1-CE 4.17Å; L137-I163 HydrophobicContact CB-CD1 4.37Å; L137-I163 HydrophobicContact CD1-CD1 4.08Å; L137-I163 HydrophobicContact CD1-CG1 4.24Å
138H98.7Very high97Very high20 Ų2031.6 Ų31.69%0.09317%0.168CC..Hα-helixtrans-63.3-44.2177.3-61.7174.3000112.2P28 I62 T134 A140 W141 V142P28-H138 WeakPolarHBondContact O-CB 3.29Å; P28-H138 PolarHBondContact O-ND1 2.83Å; I62-H138 HydrophobicContact CD1-CB 4.03Å; I62-H138 VanDerWaalsContact CD1-ND1 3.27Å; I62-H138 WeakPolarHBondContact CD1-ND1 3.44Å; T134-H138 WeakPolarHBondContact CG2-CE1 3.21Å; T134-H138 WeakPolarHBondContact CG2-NE2 3.35Å; T134-H138 PolarHBondContact O-CD2 3.31Å; T134-H138 VanDerWaalsContact O-CD2 3.24Å; T134-H138 VanDerWaalsContact O-CG 3.25Å; T134-H138 PolarHBondContact O-N 2.8Å; H138-A140 PolarHBondContact O-N 3.1Å; H138-W141 AromaticContact CD2-CE3 3.59Å; H138-W141 AromaticContact CD2-CZ3 3.28Å; H138-W141 WeakPolarHBondContact CD2-CZ3 3.1Å; H138-W141 AromaticContact NE2-CZ3 3.72Å; H138-W141 WeakPolarHBondContact O-CB 3.39Å; H138-W141 PolarHBondContact O-N 2.97Å; H138-W141 VanDerWaalsContact O-N 3.1Å; H138-V142 WeakPolarHBondContact O-CG2 3.4Å; H138-V142 PolarHBondContact O-N 2.86Å
139L98.7Very high97Very high0 Ų028.9 Ų28.90%015%0.15CC..Hα-helixtrans-60.8-37.7174-176.955.3000111.6P28 F106 L135 V142 A143 L178 W201 T207P28-L139 HydrophobicContact CG-CB 4.17Å; P28-L139 HydrophobicContact CG-CD1 4.22Å; F106-L139 HydrophobicContact CE1-CD2 4.49Å; L135-L139 WeakPolarHBondContact O-CB 3.41Å; L135-L139 PolarHBondContact O-N 2.92Å; L139-V142 PolarHBondContact O-N 3.21Å; L139-A143 WeakPolarHBondContact O-CB 2.99Å; L139-A143 PolarHBondContact O-N 2.88Å; L139-L178 HydrophobicContact CD2-CD1 3.75Å; L139-W201 HydrophobicContact CD1-CB 4.13Å; L139-W201 HydrophobicContact CD1-CD2 4.49Å; L139-W201 HydrophobicContact CD1-CG 3.82Å; L139-W201 HydrophobicContact CD2-CB 4.01Å; L139-W201 HydrophobicContact CD2-CD2 4.25Å; L139-W201 HydrophobicContact CD2-CG 4.02Å; L139-T207 HydrophobicContact CD1-CG2 4.15Å
140A98.8Very high97.1Very high0 Ų029.5 Ų29.50%015%0.15CC..Hα-helixtrans-65.9-37.817400000112.2L136 L137 H138 A143 C144 M160 I163 Y180 M197L136-A140 WeakPolarHBondContact O-CB 3.17Å; L136-A140 PolarHBondContact O-N 2.8Å; L137-A140 CarbonylContact O-C 3.5Å; L137-A140 WeakPolarHBondContact O-CB 3.41Å; L137-A140 PolarHBondContact O-N 2.77Å; H138-A140 PolarHBondContact O-N 3.1Å; A140-A143 PolarHBondContact O-N 2.93Å; A140-C144 WeakPolarHBondContact O-CB 3.33Å; A140-C144 PolarHBondContact O-N 3.43Å; A140-M160 HydrophobicContact CB-CE 3.65Å; A140-M160 HydrophobicContact CB-SD 4.27Å; A140-I163 HydrophobicContact CB-CD1 3.77Å; A140-I163 HydrophobicContact CB-CG1 3.87Å; A140-Y180 HydrophobicContact CB-CD1 4.08Å; A140-Y180 HydrophobicContact CB-CE1 3.68Å; A140-M197 HydrophobicContact CB-CE 4.12Å
141W98.9Very high97.2Very high79 Ų7930.1 Ų30.130%0.29915%0.149SC..Hα-helixtrans-61.4-43.4172.1-69.3-24.8000112.4V31 I61 L137 H138 C144 G145V31-W141 HydrophobicContact CG1-CE3 4.37Å; V31-W141 HydrophobicContact CG2-CE3 4.48Å; I61-W141 HydrophobicContact CD1-CZ3 4.37Å; L137-W141 HydrophobicContact CD1-CZ2 4.38Å; L137-W141 HydrophobicContact CD2-CH2 4.23Å; L137-W141 HydrophobicContact CD2-CZ2 3.76Å; L137-W141 HydrophobicContact CG-CD2 4.41Å; L137-W141 HydrophobicContact CG-CH2 4.43Å; L137-W141 HydrophobicContact CG-CZ2 3.86Å; L137-W141 PolarHBondContact O-N 2.94Å; H138-W141 AromaticContact CD2-CE3 3.59Å; H138-W141 AromaticContact CD2-CZ3 3.28Å; H138-W141 WeakPolarHBondContact CD2-CZ3 3.1Å; H138-W141 AromaticContact NE2-CZ3 3.72Å; H138-W141 WeakPolarHBondContact O-CB 3.39Å; H138-W141 PolarHBondContact O-N 2.97Å; H138-W141 VanDerWaalsContact O-N 3.1Å; W141-C144 PolarHBondContact O-N 3.24Å; W141-G145 PolarHBondContact O-N 2.99Å
142V98.9Very high97.6Very high0 Ų025.5 Ų25.50%012%0.12CC..Hα-helixtrans-60-51.4176.3169.90000110.9N22 V31 H138 L139 G145 T207N22-V142 WeakPolarHBondContact O-CG1 3.12Å; V31-V142 HydrophobicContact CG2-CG2 3.86Å; H138-V142 WeakPolarHBondContact O-CG2 3.4Å; H138-V142 PolarHBondContact O-N 2.86Å; L139-V142 PolarHBondContact O-N 3.21Å; V142-G145 PolarHBondContact O-N 2.81Å; V142-T207 HydrophobicContact CG1-CG2 4.06Å; V142-T207 WeakPolarHBondContact CG1-OG1 3.37Å
143A98.9Very high98.1Very high0 Ų024.4 Ų24.40%012%0.119CC..Hα-helixtrans-65.6-39.2178.800000112.7L139 A140 G145 Y146 M197 V199 T207 V209L139-A143 WeakPolarHBondContact O-CB 2.99Å; L139-A143 PolarHBondContact O-N 2.88Å; A140-A143 PolarHBondContact O-N 2.93Å; A143-G145 PolarHBondContact O-N 3.4Å; A143-Y146 WeakPolarHBondContact O-CB 3.36Å; A143-Y146 PolarHBondContact O-N 3.06Å; A143-M197 HydrophobicContact CB-CE 3.88Å; A143-M197 HydrophobicContact CB-SD 3.92Å; A143-V199 HydrophobicContact CB-CB 4.37Å; A143-V199 HydrophobicContact CB-CG1 3.91Å; A143-V199 HydrophobicContact CB-CG2 3.47Å; A143-V199 VanDerWaalsContact CB-CG2 3.47Å; A143-T207 HydrophobicContact CB-CG2 4.08Å; A143-V209 HydrophobicContact CB-CG2 4.11Å
144C98.8Very high98.2Very high1 Ų125.1 Ų25.11%0.00712%0.122CC..Hα-helixtrans-63-25.9175.6-173.20000112.1A140 W141 Y146 I147 I148 M160 I182 L184 M197A140-C144 WeakPolarHBondContact O-CB 3.33Å; A140-C144 PolarHBondContact O-N 3.43Å; W141-C144 PolarHBondContact O-N 3.24Å; C144-Y146 PolarHBondContact O-N 2.9Å; C144-I147 PolarHBondContact O-N 3.43Å; C144-I148 PolarHBondContact O-N 2.84Å; C144-M160 HydrophobicContact CB-SD 3.7Å; C144-I182 HydrophobicContact CB-CD1 3.98Å; C144-I182 WeakPolarHBondContact SG-CD1 3.32Å; C144-L184 WeakPolarHBondContact SG-CD2 3.24Å; C144-M197 HydrophobicContact CB-CE 4.47Å
145G98.8Very high98.2Very high0 Ų027.5 Ų27.50%013%0.133CC..Hα-helixtrans-51.5-40.817000000112.6N19 W141 V142 A143 W149N19-G145 CarbonylContact O-C 3.57Å; N19-G145 WeakPolarHBondContact O-CA 3.34Å; W141-G145 PolarHBondContact O-N 2.99Å; V142-G145 PolarHBondContact O-N 2.81Å; A143-G145 PolarHBondContact O-N 3.4Å; G145-W149 WeakPolarHBondContact O-CB 3.37Å; G145-W149 PolarHBondContact O-N 2.97Å
146Y98.9Very high98.1Very high53 Ų5326.8 Ų26.821%0.20813%0.13CC..Hα-helixtrans-65.2-46.7173.5178.3-100.4000111.9Y23 A143 C144 I148 W149 Q150 V209Y23-Y146 AromaticContact CD1-CD2 3.85Å; Y23-Y146 HydrophobicContact CD1-CD2 3.85Å; Y23-Y146 HydrophobicContact CD1-CG 4.37Å; Y23-Y146 AromaticContact CE1-CD2 3.41Å; Y23-Y146 HydrophobicContact CE1-CD2 3.41Å; Y23-Y146 VanDerWaalsContact CE1-CD2 3.41Å; Y23-Y146 HydrophobicContact CE1-CE2 4.22Å; Y23-Y146 HydrophobicContact CE1-CG 4.05Å; Y23-Y146 HydrophobicContact CE2-CD2 4.4Å; Y23-Y146 HydrophobicContact CE2-CG 4.24Å; Y23-Y146 HydrophobicContact CG-CD2 4.49Å; Y23-Y146 AromaticContact CZ-CD2 3.71Å; Y23-Y146 AromaticContact CZ-CG 3.97Å; A143-Y146 WeakPolarHBondContact O-CB 3.36Å; A143-Y146 PolarHBondContact O-N 3.06Å; C144-Y146 PolarHBondContact O-N 2.9Å; Y146-I148 PolarHBondContact O-N 3.34Å; Y146-W149 AromaticContact CD2-CE3 3.96Å; Y146-W149 HydrophobicContact CD2-CE3 3.96Å; Y146-W149 AromaticContact CD2-CZ3 3.94Å; Y146-W149 HydrophobicContact CD2-CZ3 3.94Å; Y146-W149 HydrophobicContact CE2-CE3 4.48Å; Y146-W149 HydrophobicContact CE2-CZ3 4.15Å; Y146-W149 PolarHBondContact O-N 3.39Å; Y146-Q150 HydrophobicContact CD1-CG 4.1Å; Y146-Q150 HydrophobicContact CD2-CG 3.79Å; Y146-Q150 HydrophobicContact CE1-CG 3.84Å; Y146-Q150 HydrophobicContact CE2-CG 3.52Å; Y146-Q150 HydrophobicContact CG-CG 4.08Å; Y146-Q150 VanDerWaalsContact O-CB 3.27Å; Y146-Q150 WeakPolarHBondContact O-CB 3.3Å; Y146-Q150 WeakPolarHBondContact O-CG 3.43Å; Y146-Q150 PolarHBondContact O-N 2.99Å; Y146-V209 HydrophobicContact CD1-CB 3.6Å; Y146-V209 HydrophobicContact CD1-CG1 3.85Å; Y146-V209 HydrophobicContact CD1-CG2 3.79Å; Y146-V209 HydrophobicContact CE1-CB 4.04Å; Y146-V209 HydrophobicContact CE1-CG1 4.09Å; Y146-V209 HydrophobicContact CG-CB 4.17Å; Y146-V209 HydrophobicContact CG-CG2 4.06Å
147I98.7Very high98.2Very high0 Ų030 Ų300%014%0.142CC..Hα-helixtrans-60.1-49.3-179-54.4-60.5000110.8C144 Q150 N151 L184 W195 M197 V209 N212C144-I147 PolarHBondContact O-N 3.43Å; I147-Q150 PolarHBondContact O-N 3.44Å; I147-N151 WeakPolarHBondContact O-CB 3.39Å; I147-N151 PolarHBondContact O-N 2.83Å; I147-N151 PolarHBondContact O-ND2 2.88Å; I147-L184 HydrophobicContact CG2-CD1 4.07Å; I147-W195 HydrophobicContact CG2-CD2 3.64Å; I147-W195 HydrophobicContact CG2-CE3 4.22Å; I147-W195 HydrophobicContact CG2-CG 3.84Å; I147-W195 HydrophobicContact CG2-CZ2 4.06Å; I147-M197 HydrophobicContact CD1-CB 4.12Å; I147-M197 HydrophobicContact CG1-CB 4.42Å; I147-M197 HydrophobicContact CG1-SD 3.88Å; I147-V209 HydrophobicContact CD1-CG1 4.16Å; I147-N212 HydrophobicContact CD1-CB 3.42Å; I147-N212 VanDerWaalsContact CD1-CB 3.42Å; I147-N212 WeakPolarHBondContact CD1-OD1 3.46Å
148I98.8Very high98.2Very high4 Ų430.7 Ų30.72%0.02114%0.144CC..Hα-helixtrans-62.9-50.5179.8-68.7173.1000110N19 C144 Y146 Q150 N151 S152 Y158 L184N19-I148 HydrophobicContact CB-CB 4.15Å; N19-I148 HydrophobicContact CB-CG2 4.01Å; N19-I148 WeakPolarHBondContact ND2-CG2 3.38Å; N19-I148 WeakPolarHBondContact OD1-CD1 3.41Å; C144-I148 PolarHBondContact O-N 2.84Å; Y146-I148 PolarHBondContact O-N 3.34Å; I148-Q150 PolarHBondContact O-N 3.3Å; I148-N151 PolarHBondContact O-N 3.45Å; I148-S152 VanDerWaalsContact O-CB 3.31Å; I148-S152 WeakPolarHBondContact O-CB 3.26Å; I148-S152 PolarHBondContact O-N 2.67Å; I148-S152 PolarHBondContact O-OG 3.23Å; I148-Y158 HydrophobicContact CG2-CD2 4.47Å; I148-L184 HydrophobicContact CD1-CD2 4.38Å; I148-L184 HydrophobicContact CG1-CD2 4.24Å
149W98.8Very high98.1Very high41 Ų4132.9 Ų32.916%0.15515%0.154CC..Hα-helixtrans-56.2-50.8178.9164.443.7000111.8Y20 Y23 P85 G145 Y146 N151 S152Y20-W149 AromaticContact CD2-CD2 3.55Å; Y20-W149 HydrophobicContact CD2-CD2 3.55Å; Y20-W149 AromaticContact CD2-CE2 3.51Å; Y20-W149 AromaticContact CD2-CE3 3.73Å; Y20-W149 HydrophobicContact CD2-CE3 3.73Å; Y20-W149 HydrophobicContact CD2-CG 4.14Å; Y20-W149 AromaticContact CD2-CH2 3.87Å; Y20-W149 HydrophobicContact CD2-CH2 3.87Å; Y20-W149 AromaticContact CD2-CZ2 3.7Å; Y20-W149 HydrophobicContact CD2-CZ2 3.7Å; Y20-W149 AromaticContact CD2-CZ3 3.88Å; Y20-W149 HydrophobicContact CD2-CZ3 3.88Å; Y20-W149 HydrophobicContact CE2-CD2 4.28Å; Y20-W149 AromaticContact CE2-CE2 3.94Å; Y20-W149 HydrophobicContact CE2-CE3 4.25Å; Y20-W149 AromaticContact CE2-CH2 3.58Å; Y20-W149 HydrophobicContact CE2-CH2 3.58Å; Y20-W149 AromaticContact CE2-CZ2 3.61Å; Y20-W149 HydrophobicContact CE2-CZ2 3.61Å; Y20-W149 AromaticContact CE2-CZ3 3.91Å; Y20-W149 HydrophobicContact CE2-CZ3 3.91Å; Y23-W149 HydrophobicContact CD1-CZ3 4.49Å; P85-W149 WeakPolarHBondContact CD-O 3.44Å; P85-W149 PolarHBondContact O-NE1 3.45Å; G145-W149 WeakPolarHBondContact O-CB 3.37Å; G145-W149 PolarHBondContact O-N 2.97Å; Y146-W149 AromaticContact CD2-CE3 3.96Å; Y146-W149 HydrophobicContact CD2-CE3 3.96Å; Y146-W149 AromaticContact CD2-CZ3 3.94Å; Y146-W149 HydrophobicContact CD2-CZ3 3.94Å; Y146-W149 HydrophobicContact CE2-CE3 4.48Å; Y146-W149 HydrophobicContact CE2-CZ3 4.15Å; Y146-W149 PolarHBondContact O-N 3.39Å; W149-N151 PolarHBondContact O-N 2.87Å; W149-S152 PolarHBondContact O-N 3.35Å
150Q98.3Very high98.1Very high60 Ų6034.2 Ų34.228%0.2816%0.16SC..Hα-helixtrans-65.2-24.9-174.3-70.4-68-61.800113.8A84 Y146 I147 I148A84-Q150 HydrophobicContact CB-CB 4.45Å; Y146-Q150 HydrophobicContact CD1-CG 4.1Å; Y146-Q150 HydrophobicContact CD2-CG 3.79Å; Y146-Q150 HydrophobicContact CE1-CG 3.84Å; Y146-Q150 HydrophobicContact CE2-CG 3.52Å; Y146-Q150 HydrophobicContact CG-CG 4.08Å; Y146-Q150 VanDerWaalsContact O-CB 3.27Å; Y146-Q150 WeakPolarHBondContact O-CB 3.3Å; Y146-Q150 WeakPolarHBondContact O-CG 3.43Å; Y146-Q150 PolarHBondContact O-N 2.99Å; I147-Q150 PolarHBondContact O-N 3.44Å; I148-Q150 PolarHBondContact O-N 3.3Å
151N97.6Very high98.1Very high61 Ų6137.3 Ų37.333%0.32618%0.179SC..Hα-helixtrans-111.91.5-173.3-65-88.5000113.4I147 I148 W149 Y158 W195I147-N151 WeakPolarHBondContact O-CB 3.39Å; I147-N151 PolarHBondContact O-N 2.83Å; I147-N151 PolarHBondContact O-ND2 2.88Å; I148-N151 PolarHBondContact O-N 3.45Å; W149-N151 PolarHBondContact O-N 2.87Å; N151-Y158 HydrophobicContact CB-CE2 4.34Å; N151-W195 HydrophobicContact CB-CH2 3.94Å; N151-W195 HydrophobicContact CB-CZ2 4.49Å; N151-W195 WeakPolarHBondContact ND2-CZ2 3.32Å; N151-W195 WeakPolarHBondContact OD1-CH2 3.4Å; N151-W195 WeakPolarHBondContact OD1-CZ2 3.46Å
152S97.7Very high98Very high7 Ų735.3 Ų35.35%0.04917%0.172CC..  trans-77.8134.2-177.9-89.20000113V16 P85 I148 W149 T156V16-S152 VanDerWaalsContact CG2-CB 3.44Å; P85-S152 WeakPolarHBondContact CG-O 3.31Å; I148-S152 VanDerWaalsContact O-CB 3.31Å; I148-S152 WeakPolarHBondContact O-CB 3.26Å; I148-S152 PolarHBondContact O-N 2.67Å; I148-S152 PolarHBondContact O-OG 3.23Å; W149-S152 PolarHBondContact O-N 3.35Å; S152-T156 WeakPolarHBondContact CA-OG1 3.47Å; S152-T156 PolarHBondContact OG-OG1 2.75Å
153T97.1Very high98Very high67 Ų6735.3 Ų35.341%0.41117%0.172SC..  trans-117.6174.4164.976.40000110D155 T156T153-D155 PolarHBondContact O-N 2.93Å; T153-D155 VanDerWaalsContact O-N 3.14Å; T153-D155 PolarHBondContact OG1-N 3.38Å; T153-T156 PolarHBondContact N-OG1 3.5Å; T153-T156 PolarHBondContact O-N 3.4Å; T153-T156 VanDerWaalsContact O-N 3.16Å; T153-T156 PolarHBondContact O-OG1 3Å
154E96.4Very high98Very high55 Ų5537.2 Ų37.226%0.25718%0.181SC..THydrogen-bonded Turntrans-58.4-23173.5-68.2175.79200113.3R12 H50 Y52 Y76R12-E154 VanDerWaalsContact CD-O 3.24Å; R12-E154 WeakPolarHBondContact CD-O 3.48Å; R12-E154 PolarHBondContact NH1-O 3.33Å; H50-E154 IonicContact CE1-OE1 3.92Å; H50-E154 IonicContact CE1-OE2 3.69Å; H50-E154 IonicContact CG-OE1 2.77Å; H50-E154 IonicContact CG-OE2 2.69Å; H50-E154 IonicContact ND1-OE1 3.48Å; H50-E154 PolarHBondContact ND1-OE1 3.19Å; H50-E154 IonicContact ND1-OE2 3.8Å; H50-E154 PolarHBondContact ND1-OE2 2.65Å; Y52-E154 HydrophobicContact CE2-CG 4.28Å; Y52-E154 PolarHBondContact OH-OE1 3.23Å; Y76-E154 HydrophobicContact CD1-CG 4.26Å; Y76-E154 HydrophobicContact CD2-CG 3.58Å; Y76-E154 HydrophobicContact CE2-CG 4.01Å; Y76-E154 HydrophobicContact CG-CG 3.69Å
155D95.6Very high98Very high95 Ų9539.8 Ų39.851%0.50820%0.197SC..THydrogen-bonded Turntrans-88.1-18.9-178.8-64.6-43.9000113.5M79 T153M79-D155 WeakPolarHBondContact CE-OD2 3.24Å; T153-D155 PolarHBondContact O-N 2.93Å; T153-D155 VanDerWaalsContact O-N 3.14Å; T153-D155 PolarHBondContact OG1-N 3.38Å
156T96.9Very high97.9Very high12 Ų1239.9 Ų39.97%0.07420%0.197CC..  trans-90.8149.7-175.964.90000112.6R12 S152 T153 Y158R12-T156 WeakPolarHBondContact CD-O 3.22Å; S152-T156 WeakPolarHBondContact CA-OG1 3.47Å; S152-T156 PolarHBondContact OG-OG1 2.75Å; T153-T156 PolarHBondContact N-OG1 3.5Å; T153-T156 PolarHBondContact O-N 3.4Å; T153-T156 VanDerWaalsContact O-N 3.16Å; T153-T156 PolarHBondContact O-OG1 3Å; T156-Y158 HydrophobicContact CG2-CE1 4.44Å; T156-Y158 HydrophobicContact CG2-CE2 3.71Å; T156-Y158 WeakPolarHBondContact CG2-OH 3.45Å
157W98Very high97.9Very high68 Ų6842.1 Ų42.126%0.25821%0.208SC..  trans-142.170.7171.4-163.8-5.9000111.3R12 D186 I187R12-W157 HydrophobicContact CG-CB 4.1Å; R12-W157 HydrophobicContact CG-CD2 4.13Å; R12-W157 HydrophobicContact CG-CG 3.98Å; W157-D186 PolarHBondContact N-OD1 3.4Å; W157-I187 HydrophobicContact CB-CB 4.02Å; W157-I187 HydrophobicContact CD2-CB 4.11Å; W157-I187 HydrophobicContact CD2-CD1 4.23Å; W157-I187 HydrophobicContact CD2-CG2 4.27Å; W157-I187 HydrophobicContact CE3-CB 4.16Å; W157-I187 HydrophobicContact CE3-CG2 3.89Å; W157-I187 HydrophobicContact CG-CB 4.03Å; W157-I187 HydrophobicContact CG-CD1 4.24Å; W157-I187 HydrophobicContact CZ3-CG2 4.36Å; W157-I187 PolarHBondContact O-N 3.25Å
158Y98.6Very high97.9Very high21 Ų2143.4 Ų43.48%0.08221%0.214CC..EExtended strand (participates in β ladder)trans-74.9134.4-174-61.4-54.2000114.6L15 I148 N151 T156 L184 H185 D186 I193L15-Y158 VanDerWaalsContact CD2-O 3.32Å; L15-Y158 WeakPolarHBondContact CD2-O 3.45Å; I148-Y158 HydrophobicContact CG2-CD2 4.47Å; N151-Y158 HydrophobicContact CB-CE2 4.34Å; T156-Y158 HydrophobicContact CG2-CE1 4.44Å; T156-Y158 HydrophobicContact CG2-CE2 3.71Å; T156-Y158 WeakPolarHBondContact CG2-OH 3.45Å; Y158-L184 HydrophobicContact CD1-CB 4.46Å; Y158-L184 HydrophobicContact CD1-CD1 4.5Å; Y158-H185 CarbonylContact C-O 3.6Å; Y158-H185 WeakPolarHBondContact CA-O 3.34Å; Y158-D186 HydrophobicContact CD1-CB 3.72Å; Y158-D186 HydrophobicContact CE1-CB 3.65Å; Y158-I193 HydrophobicContact CD1-CD1 4.48Å; Y158-I193 HydrophobicContact CE1-CD1 3.67Å
159K98.2Very high97.8Very high67 Ų6745.6 Ų45.629%0.29123%0.228SC..EExtended strand (participates in β ladder)trans-128.5142.2165.7-70.3-67.7-169166.20109.6L15 V161 L184 H185 I187L15-K159 HydrophobicContact CD1-CD 4.17Å; L15-K159 VanDerWaalsContact CD1-NZ 3.31Å; L15-K159 HydrophobicContact CD2-CD 4.42Å; K159-V161 PolarHBondContact O-N 3.18Å; K159-L184 CarbonylContact O-C 3.55Å; K159-L184 WeakPolarHBondContact O-CA 3.47Å; K159-H185 PolarHBondContact N-O 3.32Å; K159-H185 PolarHBondContact O-N 3.48Å; K159-I187 HydrophobicContact CG-CD1 3.71Å
160M98.5Very high97.5Very high27 Ų2751.3 Ų51.313%0.13326%0.256CS..EExtended strand (participates in β ladder)trans-73.7125.3169.7-173.8168162.700109.7L137 A140 C144 I163 I182 L184L137-M160 HydrophobicContact CD1-CE 4.17Å; A140-M160 HydrophobicContact CB-CE 3.65Å; A140-M160 HydrophobicContact CB-SD 4.27Å; C144-M160 HydrophobicContact CB-SD 3.7Å; M160-I163 HydrophobicContact CE-CG1 3.57Å; M160-I182 HydrophobicContact CE-CB 4.07Å; M160-I182 HydrophobicContact CE-CG2 3.54Å; M160-I182 HydrophobicContact SD-CD1 4.28Å; M160-I182 HydrophobicContact SD-CG2 4.26Å; M160-L184 HydrophobicContact CB-CD2 4.48Å
161V97.4Very high97.3Very high66 Ų6652.2 Ų52.240%0.426%0.257SS..EExtended strand (participates in β ladder)trans-87.2-57.7178.1-179.90000110.2K159 L183 H185 I192K159-V161 PolarHBondContact O-N 3.18Å; V161-L183 HydrophobicContact CB-CB 4.25Å; V161-L183 PolarHBondContact N-O 2.87Å; V161-H185 HydrophobicContact CG2-CB 3.42Å; V161-H185 VanDerWaalsContact CG2-CB 3.42Å; V161-I192 HydrophobicContact CG2-CD1 4.28Å
162K97.8Very high97.2Very high36 Ų3658 Ų5816%0.15729%0.288CS..EExtended strand (participates in β ladder)trans-159.2163.1-177.164.4173.1-179.6172.30111.8N121 I122 I182 L183N121-K162 PolarHBondContact OD1-NZ 3.5Å; I122-K162 CarbonylContact O-C 3.59Å; I122-K162 WeakPolarHBondContact O-CA 3.48Å; I122-K162 WeakPolarHBondContact O-CB 3.44Å; K162-I182 WeakPolarHBondContact O-CA 3.28Å; K162-L183 HydrophobicContact CD-CD1 4.38Å; K162-L183 VanDerWaalsContact CE-CD1 3.47Å; K162-L183 HydrophobicContact CG-CB 4.39Å; K162-L183 HydrophobicContact CG-CD1 4.05Å; K162-L183 HydrophobicContact CG-CG 4.31Å; K162-L183 PolarHBondContact O-N 3.48Å
163I98.7Very high97.1Very high0 Ų060.5 Ų60.50%030%0.301CS..EExtended strand (participates in β ladder)trans-77119.6156.7-60.1165.3000107.1N121 I122 L137 A140 M160 T165 V166 Y180 I182N121-I163 CarbonylContact C-O 3.58Å; N121-I163 VanDerWaalsContact CA-O 3.29Å; N121-I163 WeakPolarHBondContact CA-O 3.2Å; N121-I163 PolarHBondContact N-O 2.92Å; I122-I163 HydrophobicContact CB-CB 4.2Å; I122-I163 HydrophobicContact CB-CD1 4.32Å; I122-I163 HydrophobicContact CD1-CD1 4.47Å; I122-I163 PolarHBondContact N-O 2.81Å; I122-I163 PolarHBondContact O-N 3.47Å; L137-I163 HydrophobicContact CB-CD1 4.37Å; L137-I163 HydrophobicContact CD1-CD1 4.08Å; L137-I163 HydrophobicContact CD1-CG1 4.24Å; A140-I163 HydrophobicContact CB-CD1 3.77Å; A140-I163 HydrophobicContact CB-CG1 3.87Å; M160-I163 HydrophobicContact CE-CG1 3.57Å; I163-T165 VanDerWaalsContact CG2-C 3.42Å; I163-T165 VanDerWaalsContact CG2-O 3.26Å; I163-T165 WeakPolarHBondContact CG2-O 3.48Å; I163-V166 HydrophobicContact CG2-CB 4.01Å; I163-V166 HydrophobicContact CG2-CG1 4.23Å; I163-Y180 HydrophobicContact CD1-CD1 4.18Å; I163-Y180 HydrophobicContact CD1-CE1 3.8Å; I163-Y180 HydrophobicContact CG1-CD1 4.16Å; I163-Y180 HydrophobicContact CG1-CE1 4.27Å; I163-Y180 HydrophobicContact CG2-CD1 4.07Å; I163-I182 HydrophobicContact CG1-CG2 4.43Å
164Q98.1Very high97Very high40 Ų4062.2 Ų62.219%0.18731%0.308CS..EExtended strand (participates in β ladder)trans-74.3-50.6168.2-172.9173.2-0.400109.5Q120 N121 T181 E218Q120-Q164 CarbonylContact C-O 3.57Å; Q120-Q164 WeakPolarHBondContact CA-O 3.33Å; Q120-Q164 VanDerWaalsContact CB-O 3.22Å; Q120-Q164 WeakPolarHBondContact CB-O 3.28Å; N121-Q164 PolarHBondContact N-O 2.97Å; Q164-T181 WeakPolarHBondContact CA-O 3.39Å; Q164-T181 HydrophobicContact CB-CG2 4.04Å; Q164-T181 WeakPolarHBondContact CB-O 3.36Å; Q164-T181 PolarHBondContact N-O 2.99Å; Q164-E218 PolarHBondContact NE2-OE2 2.92Å
165T98.5Very high97.1Very high56 Ų5662.4 Ų62.434%0.34431%0.308SS..EExtended strand (participates in β ladder)trans-143.2149.5174.858.10000111.1A119 Q120 I163 Y180 T181A119-T165 CarbonylContact O-C 3.57Å; A119-T165 WeakPolarHBondContact O-CA 3.35Å; Q120-T165 HydrophobicContact CB-CG2 4.22Å; I163-T165 VanDerWaalsContact CG2-C 3.42Å; I163-T165 VanDerWaalsContact CG2-O 3.26Å; I163-T165 WeakPolarHBondContact CG2-O 3.48Å; T165-Y180 WeakPolarHBondContact O-CA 3.24Å; T165-T181 PolarHBondContact N-O 3.49Å; T165-T181 VanDerWaalsContact N-O 3.14Å; T165-T181 PolarHBondContact O-N 3.39Å; T165-T181 WeakPolarHBondContact OG1-CB 3.21Å; T165-T181 PolarHBondContact OG1-OG1 2.89Å
166V98.5Very high97.2Very high1 Ų158 Ų581%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-137.5135.1167.358.30000109.7E118 A119 I122 I163 L178 D179 Y180E118-V166 WeakPolarHBondContact CA-O 3.15Å; A119-V166 HydrophobicContact CB-CG1 3.87Å; A119-V166 PolarHBondContact N-O 3.44Å; A119-V166 PolarHBondContact O-N 3.25Å; I122-V166 HydrophobicContact CD1-CG1 4.33Å; I163-V166 HydrophobicContact CG2-CB 4.01Å; I163-V166 HydrophobicContact CG2-CG1 4.23Å; V166-L178 HydrophobicContact CG2-CB 4.19Å; V166-L178 HydrophobicContact CG2-CD2 4.29Å; V166-D179 CarbonylContact C-O 3.53Å; V166-D179 VanDerWaalsContact CA-O 3.31Å; V166-D179 WeakPolarHBondContact CA-O 3.22Å; V166-Y180 HydrophobicContact CB-CD1 3.64Å; V166-Y180 HydrophobicContact CB-CE1 3.71Å; V166-Y180 HydrophobicContact CB-CG 4.47Å; V166-Y180 HydrophobicContact CG2-CD1 3.58Å; V166-Y180 HydrophobicContact CG2-CD2 4.48Å; V166-Y180 HydrophobicContact CG2-CE1 3.34Å; V166-Y180 HydrophobicContact CG2-CE2 4.31Å; V166-Y180 HydrophobicContact CG2-CG 4.17Å
167K98.1Very high97.3Very high101 Ų10157.7 Ų57.744%0.43928%0.282SS..EExtended strand (participates in β ladder)trans-136.5133.3174.8-176169.8-174135.90111.4L117 E118 L178 D179L117-K167 CarbonylContact O-C 3.49Å; L117-K167 WeakPolarHBondContact O-CA 3.47Å; E118-K167 WeakPolarHBondContact OE2-CE 3.27Å; E118-K167 IonicContact OE2-NZ 2.78Å; E118-K167 PolarHBondContact OE2-NZ 2.96Å; K167-L178 CarbonylContact O-C 3.52Å; K167-L178 WeakPolarHBondContact O-CA 3.12Å; K167-D179 PolarHBondContact N-O 2.86Å; K167-D179 PolarHBondContact O-N 3.16Å
168Q97.6Very high97.4Very high26 Ų2654.5 Ų54.512%0.12127%0.27CS..EExtended strand (participates in β ladder)trans-78.3131.3172.7-174.2177.37.700110.8L110 P116 L117 E177 L178L110-Q168 PolarHBondContact O-NE2 2.78Å; P116-Q168 HydrophobicContact CB-CB 4.23Å; L117-Q168 HydrophobicContact CB-CB 3.96Å; L117-Q168 PolarHBondContact O-N 3.24Å; Q168-E177 WeakPolarHBondContact CA-O 3.2Å; Q168-L178 HydrophobicContact CB-CD2 3.8Å; Q168-L178 HydrophobicContact CG-CD2 4.13Å
169V96.9Very high97.4Very high51 Ų5156.2 Ų56.231%0.30928%0.28SS..EExtended strand (participates in β ladder)trans-95129.8174.3-176.30000108.1E177 D179V169-E177 HydrophobicContact CB-CB 4.08Å; V169-E177 HydrophobicContact CB-CG 3.83Å; V169-E177 HydrophobicContact CG2-CG 4.06Å; V169-E177 PolarHBondContact N-O 2.91Å; V169-D179 HydrophobicContact CG2-CB 4.31Å
170Q93.6Very high97.4Very high160 Ų16053 Ų5375%0.74827%0.267SS*.PPolyproline II helixtrans-66.5136.7176.3-71.1-177.6-3.700110.6P116P116-Q170 HydrophobicContact CG-CG 4.01Å
171R94.4Very high97.4Very high80 Ų8052.8 Ų52.830%0.30227%0.267SS..  trans-135152.4179.3-65.2-171.165.3840.3111D173 E177R171-D173 IonicContact CZ-OD1 3.94Å; R171-D173 IonicContact CZ-OD2 2.8Å; R171-D173 IonicContact NE-OD1 3.67Å; R171-D173 PolarHBondContact NE-OD1 2.85Å; R171-D173 IonicContact NE-OD2 2.77Å; R171-D173 PolarHBondContact NE-OD2 2.91Å; R171-D173 IonicContact NH2-OD1 3.6Å; R171-D173 IonicContact NH2-OD2 2.69Å; R171-D173 PolarHBondContact NH2-OD2 2.88Å; R171-E177 VanDerWaalsContact CD-CB 3.42Å; R171-E177 WeakPolarHBondContact CD-OE2 3.23Å; R171-E177 HydrophobicContact CG-CB 4.09Å; R171-E177 IonicContact CZ-OE2 3.62Å; R171-E177 IonicContact NE-OE2 3.77Å; R171-E177 IonicContact NH1-OE1 2.74Å; R171-E177 IonicContact NH1-OE2 2.82Å; R171-E177 PolarHBondContact NH1-OE2 2.79Å
172N93.7Very high97.5Very high182 Ų18249.7 Ų49.797%0.97325%0.248SC*.SBendtrans-93-7.4176-63.3-24.9000112.8
173D95.8Very high97.5Very high60 Ų6049.2 Ų49.232%0.32125%0.247SC..SBendtrans-102.8-173.8176.165.117.7000111.6K111 R171 F175K111-D173 PolarHBondContact NZ-O 3.23Å; K111-D173 VanDerWaalsContact NZ-O 3.11Å; R171-D173 IonicContact CZ-OD1 3.94Å; R171-D173 IonicContact CZ-OD2 2.8Å; R171-D173 IonicContact NE-OD1 3.67Å; R171-D173 PolarHBondContact NE-OD1 2.85Å; R171-D173 IonicContact NE-OD2 2.77Å; R171-D173 PolarHBondContact NE-OD2 2.91Å; R171-D173 IonicContact NH2-OD1 3.6Å; R171-D173 IonicContact NH2-OD2 2.69Å; R171-D173 PolarHBondContact NH2-OD2 2.88Å; D173-F175 VanDerWaalsContact C-N 3.29Å; D173-F175 PolarHBondContact O-N 2.97Å; D173-F175 PolarHBondContact OD1-N 3.07Å; D173-F175 VanDerWaalsContact OD1-N 3.11Å
174D96.4Very high97.5Very high103 Ų10349.2 Ų49.255%0.55125%0.247SC*.SBendtrans-83.5-1.7-177.1-64.5-39.1000113.4Y107 H202Y107-D174 VanDerWaalsContact CE2-O 3.23Å; Y107-D174 WeakPolarHBondContact CE2-O 3.3Å; Y107-D174 PolarHBondContact OH-O 2.81Å; D174-H202 PolarHBondContact O-CD2 2.82Å
175F98.1Very high97.5Very high58 Ų5849.4 Ų49.425%0.25425%0.248SC..  trans-78.4143.4177.1-76.4-90.3000111.6D173 L200 H202 Y205D173-F175 VanDerWaalsContact C-N 3.29Å; D173-F175 PolarHBondContact O-N 2.97Å; D173-F175 PolarHBondContact OD1-N 3.07Å; D173-F175 VanDerWaalsContact OD1-N 3.11Å; F175-L200 HydrophobicContact CD1-CB 4.13Å; F175-H202 HydrophobicContact CD1-CB 3.85Å; F175-H202 HydrophobicContact CE1-CB 3.82Å; F175-H202 HydrophobicContact CZ-CB 4.49Å; F175-Y205 HydrophobicContact CE1-CD2 4.12Å; F175-Y205 HydrophobicContact CE1-CG 4.34Å; F175-Y205 HydrophobicContact CE2-CD2 4.19Å; F175-Y205 AromaticContact CZ-CD2 3.59Å; F175-Y205 HydrophobicContact CZ-CD2 3.59Å; F175-Y205 HydrophobicContact CZ-CE2 4.37Å; F175-Y205 AromaticContact CZ-CG 3.88Å; F175-Y205 HydrophobicContact CZ-CG 3.88Å
176I98.3Very high97.5Very high3 Ų347.3 Ų47.32%0.01523%0.234CC..EExtended strand (participates in β ladder)trans-82.9130.9159.2-58.6-56.5000107.4Y107 L110 K111 L178 L200 W201Y107-I176 HydrophobicContact CD2-CD1 4.24Å; Y107-I176 HydrophobicContact CD2-CG1 3.83Å; Y107-I176 HydrophobicContact CE2-CD1 4.11Å; Y107-I176 HydrophobicContact CE2-CG1 3.96Å; L110-I176 HydrophobicContact CB-CD1 3.84Å; L110-I176 HydrophobicContact CB-CG1 4.29Å; L110-I176 HydrophobicContact CD1-CG1 4.16Å; L110-I176 HydrophobicContact CD1-CG2 3.9Å; K111-I176 HydrophobicContact CD-CD1 3.61Å; K111-I176 HydrophobicContact CG-CD1 3.97Å; I176-L178 HydrophobicContact CG2-CD1 4.3Å; I176-L178 HydrophobicContact CG2-CD2 4.09Å; I176-L178 HydrophobicContact CG2-CG 3.89Å; I176-L200 CarbonylContact O-C 3.54Å; I176-L200 WeakPolarHBondContact O-CA 3.39Å; I176-W201 HydrophobicContact CB-CE3 4.23Å; I176-W201 HydrophobicContact CG1-CE3 4.05Å; I176-W201 HydrophobicContact CG1-CZ3 4.36Å; I176-W201 PolarHBondContact N-O 2.76Å; I176-W201 PolarHBondContact O-N 2.92Å
177E98.6Very high97.4Very high5 Ų549.7 Ų49.72%0.02325%0.247CC..EExtended strand (participates in β ladder)trans-117.2127.4169.5-179.3168.7-146.700110.3Q168 V169 R171 Q198 V199 L200 K210Q168-E177 WeakPolarHBondContact CA-O 3.2Å; V169-E177 HydrophobicContact CB-CB 4.08Å; V169-E177 HydrophobicContact CB-CG 3.83Å; V169-E177 HydrophobicContact CG2-CG 4.06Å; V169-E177 PolarHBondContact N-O 2.91Å; R171-E177 VanDerWaalsContact CD-CB 3.42Å; R171-E177 WeakPolarHBondContact CD-OE2 3.23Å; R171-E177 HydrophobicContact CG-CB 4.09Å; R171-E177 IonicContact CZ-OE2 3.62Å; R171-E177 IonicContact NE-OE2 3.77Å; R171-E177 IonicContact NH1-OE1 2.74Å; R171-E177 IonicContact NH1-OE2 2.82Å; R171-E177 PolarHBondContact NH1-OE2 2.79Å; E177-Q198 HydrophobicContact CG-CG 3.93Å; E177-Q198 WeakPolarHBondContact OE1-CG 3.36Å; E177-Q198 PolarHBondContact OE1-NE2 2.95Å; E177-Q198 PolarHBondContact OE1-OE1 2.84Å; E177-V199 VanDerWaalsContact CA-O 3.29Å; E177-V199 WeakPolarHBondContact CA-O 3.46Å; E177-L200 HydrophobicContact CB-CD2 3.64Å; E177-L200 HydrophobicContact CG-CD2 3.7Å; E177-K210 IonicContact OE1-NZ 2.8Å; E177-K210 PolarHBondContact OE1-NZ 2.72Å
178L98.6Very high97.1Very high1 Ų146.8 Ų46.81%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-124.4125.5179.9-61.5175.5000108.6L117 L136 L139 V166 K167 Q168 I176 Y180 V199L117-L178 HydrophobicContact CD2-CD2 4.1Å; L136-L178 HydrophobicContact CD2-CD1 3.76Å; L139-L178 HydrophobicContact CD2-CD1 3.75Å; V166-L178 HydrophobicContact CG2-CB 4.19Å; V166-L178 HydrophobicContact CG2-CD2 4.29Å; K167-L178 CarbonylContact O-C 3.52Å; K167-L178 WeakPolarHBondContact O-CA 3.12Å; Q168-L178 HydrophobicContact CB-CD2 3.8Å; Q168-L178 HydrophobicContact CG-CD2 4.13Å; I176-L178 HydrophobicContact CG2-CD1 4.3Å; I176-L178 HydrophobicContact CG2-CD2 4.09Å; I176-L178 HydrophobicContact CG2-CG 3.89Å; L178-Y180 HydrophobicContact CB-CD2 3.85Å; L178-Y180 HydrophobicContact CB-CE2 3.34Å; L178-Y180 HydrophobicContact CD1-CE2 3.79Å; L178-Y180 WeakPolarHBondContact CD1-OH 3.35Å; L178-Y180 HydrophobicContact CG-CE2 4.2Å; L178-V199 PolarHBondContact N-O 2.86Å; L178-V199 PolarHBondContact O-N 2.9Å
179D98.7Very high97.1Very high58 Ų5848.3 Ų48.331%0.3126%0.259SS..EExtended strand (participates in β ladder)trans-92.8110.4170.7-172.13.8000108.8V166 K167 V169 Q196V166-D179 CarbonylContact C-O 3.53Å; V166-D179 VanDerWaalsContact CA-O 3.31Å; V166-D179 WeakPolarHBondContact CA-O 3.22Å; K167-D179 PolarHBondContact N-O 2.86Å; K167-D179 PolarHBondContact O-N 3.16Å; V169-D179 HydrophobicContact CG2-CB 4.31Å; D179-Q196 PolarHBondContact OD1-NE2 2.81Å
180Y98.8Very high97Very high0 Ų052.1 Ų52.10%027%0.273CS..EExtended strand (participates in β ladder)trans-106.6138.1-179.9-69.9-87.8000111L136 A140 I163 T165 V166 L178 Q196 M197 V199L136-Y180 PolarHBondContact O-OH 2.95Å; L136-Y180 VanDerWaalsContact O-OH 3.1Å; A140-Y180 HydrophobicContact CB-CD1 4.08Å; A140-Y180 HydrophobicContact CB-CE1 3.68Å; I163-Y180 HydrophobicContact CD1-CD1 4.18Å; I163-Y180 HydrophobicContact CD1-CE1 3.8Å; I163-Y180 HydrophobicContact CG1-CD1 4.16Å; I163-Y180 HydrophobicContact CG1-CE1 4.27Å; I163-Y180 HydrophobicContact CG2-CD1 4.07Å; T165-Y180 WeakPolarHBondContact O-CA 3.24Å; V166-Y180 HydrophobicContact CB-CD1 3.64Å; V166-Y180 HydrophobicContact CB-CE1 3.71Å; V166-Y180 HydrophobicContact CB-CG 4.47Å; V166-Y180 HydrophobicContact CG2-CD1 3.58Å; V166-Y180 HydrophobicContact CG2-CD2 4.48Å; V166-Y180 HydrophobicContact CG2-CE1 3.34Å; V166-Y180 HydrophobicContact CG2-CE2 4.31Å; V166-Y180 HydrophobicContact CG2-CG 4.17Å; L178-Y180 HydrophobicContact CB-CD2 3.85Å; L178-Y180 HydrophobicContact CB-CE2 3.34Å; L178-Y180 HydrophobicContact CD1-CE2 3.79Å; L178-Y180 WeakPolarHBondContact CD1-OH 3.35Å; L178-Y180 HydrophobicContact CG-CE2 4.2Å; Y180-Q196 CarbonylContact O-C 3.59Å; Y180-Q196 VanDerWaalsContact O-CA 3.31Å; Y180-Q196 WeakPolarHBondContact O-CA 3.43Å; Y180-M197 HydrophobicContact CD2-CE 4.1Å; Y180-M197 HydrophobicContact CG-CE 4Å; Y180-M197 PolarHBondContact N-O 2.74Å; Y180-M197 PolarHBondContact O-N 2.98Å; Y180-V199 HydrophobicContact CD2-CB 4.14Å; Y180-V199 HydrophobicContact CD2-CG2 3.66Å; Y180-V199 HydrophobicContact CE2-CB 4.03Å; Y180-V199 HydrophobicContact CE2-CG2 3.91Å
181T98.8Very high97.2Very high22 Ų2247.9 Ų47.914%0.13525%0.253CS..EExtended strand (participates in β ladder)trans-108.4121.2153.5-58.10000107.7Q164 T165 W195 L215Q164-T181 WeakPolarHBondContact CA-O 3.39Å; Q164-T181 HydrophobicContact CB-CG2 4.04Å; Q164-T181 WeakPolarHBondContact CB-O 3.36Å; Q164-T181 PolarHBondContact N-O 2.99Å; T165-T181 PolarHBondContact N-O 3.49Å; T165-T181 VanDerWaalsContact N-O 3.14Å; T165-T181 PolarHBondContact O-N 3.39Å; T165-T181 WeakPolarHBondContact OG1-CB 3.21Å; T165-T181 PolarHBondContact OG1-OG1 2.89Å; T181-W195 CarbonylContact C-O 3.53Å; T181-W195 WeakPolarHBondContact CA-O 3.36Å; T181-L215 HydrophobicContact CG2-CD1 3.69Å
182I98.6Very high97.3Very high0 Ų047.6 Ų47.60%026%0.257CS..EExtended strand (participates in β ladder)trans-117.7160179.864169.1000110.9C144 M160 K162 I163 L184 P194 W195 M197C144-I182 HydrophobicContact CB-CD1 3.98Å; C144-I182 WeakPolarHBondContact SG-CD1 3.32Å; M160-I182 HydrophobicContact CE-CB 4.07Å; M160-I182 HydrophobicContact CE-CG2 3.54Å; M160-I182 HydrophobicContact SD-CD1 4.28Å; M160-I182 HydrophobicContact SD-CG2 4.26Å; K162-I182 WeakPolarHBondContact O-CA 3.28Å; I163-I182 HydrophobicContact CG1-CG2 4.43Å; I182-L184 HydrophobicContact CD1-CD2 3.9Å; I182-P194 WeakPolarHBondContact O-CA 3.38Å; I182-W195 HydrophobicContact CG1-CB 3.94Å; I182-W195 WeakPolarHBondContact CG1-O 3.24Å; I182-W195 PolarHBondContact N-O 3.06Å; I182-W195 PolarHBondContact O-N 2.75Å; I182-M197 HydrophobicContact CD1-CE 4.1Å; I182-M197 HydrophobicContact CD1-SD 4.07Å; I182-M197 HydrophobicContact CG2-CE 3.76Å
183L98.6Very high97.5Very high27 Ų2739 Ų3914%0.14121%0.211CC..EExtended strand (participates in β ladder)trans-109.3124.4169.6-60.2-175.5000109.8V161 K162 I192 P194V161-L183 HydrophobicContact CB-CB 4.25Å; V161-L183 PolarHBondContact N-O 2.87Å; K162-L183 HydrophobicContact CD-CD1 4.38Å; K162-L183 VanDerWaalsContact CE-CD1 3.47Å; K162-L183 HydrophobicContact CG-CB 4.39Å; K162-L183 HydrophobicContact CG-CD1 4.05Å; K162-L183 HydrophobicContact CG-CG 4.31Å; K162-L183 PolarHBondContact O-N 3.48Å; L183-I192 HydrophobicContact CB-CG2 4.08Å; L183-I192 HydrophobicContact CD1-CG2 4.12Å; L183-I192 HydrophobicContact CD2-CG2 4.25Å; L183-I192 HydrophobicContact CG-CG2 4.38Å; L183-P194 HydrophobicContact CD2-CB 3.73Å
184L98.6Very high97.7Very high0 Ų036.7 Ų36.70%020%0.199CC..EExtended strand (participates in β ladder)trans-94.2140.2167.4-57.6-177.8000109.5C144 I147 I148 Y158 K159 M160 I182 I192 I193 W195C144-L184 WeakPolarHBondContact SG-CD2 3.24Å; I147-L184 HydrophobicContact CG2-CD1 4.07Å; I148-L184 HydrophobicContact CD1-CD2 4.38Å; I148-L184 HydrophobicContact CG1-CD2 4.24Å; Y158-L184 HydrophobicContact CD1-CB 4.46Å; Y158-L184 HydrophobicContact CD1-CD1 4.5Å; K159-L184 CarbonylContact O-C 3.55Å; K159-L184 WeakPolarHBondContact O-CA 3.47Å; M160-L184 HydrophobicContact CB-CD2 4.48Å; I182-L184 HydrophobicContact CD1-CD2 3.9Å; L184-I192 CarbonylContact O-C 3.49Å; L184-I192 VanDerWaalsContact O-CA 3.32Å; L184-I192 WeakPolarHBondContact O-CA 3.44Å; L184-I193 HydrophobicContact CB-CB 4.38Å; L184-I193 PolarHBondContact N-O 2.77Å; L184-I193 PolarHBondContact O-N 2.69Å; L184-W195 HydrophobicContact CD1-CD2 4.28Å; L184-W195 HydrophobicContact CD1-CE3 3.63Å; L184-W195 HydrophobicContact CD1-CZ3 4.14Å
185H98.4Very high97.8Very high43 Ų4332.4 Ų32.420%0.19918%0.175CC..EExtended strand (participates in β ladder)trans-105.4118.2164.5174.6-155.3000108.1Y158 K159 V161 I187 E191 I192Y158-H185 CarbonylContact C-O 3.6Å; Y158-H185 WeakPolarHBondContact CA-O 3.34Å; K159-H185 PolarHBondContact N-O 3.32Å; K159-H185 PolarHBondContact O-N 3.48Å; V161-H185 HydrophobicContact CG2-CB 3.42Å; V161-H185 VanDerWaalsContact CG2-CB 3.42Å; H185-I187 PolarHBondContact O-N 3.18Å; H185-E191 WeakPolarHBondContact CA-O 3.37Å; H185-I192 HydrophobicContact CB-CD1 3.76Å
186D98.3Very high97.8Very high12 Ų1231.3 Ų31.36%0.06417%0.171CC..EExtended strand (participates in β ladder)trans-85.6103.6166-177.35000109.4W157 Y158 G188 S189 Q190 E191 I193W157-D186 PolarHBondContact N-OD1 3.4Å; Y158-D186 HydrophobicContact CD1-CB 3.72Å; Y158-D186 HydrophobicContact CE1-CB 3.65Å; D186-G188 PolarHBondContact O-N 3.06Å; D186-G188 PolarHBondContact OD1-N 2.98Å; D186-S189 VanDerWaalsContact CB-OG 3.31Å; D186-S189 WeakPolarHBondContact CB-OG 3.5Å; D186-S189 PolarHBondContact O-N 2.87Å; D186-S189 PolarHBondContact OD2-OG 3.06Å; D186-Q190 VanDerWaalsContact O-CA 3.22Å; D186-Q190 WeakPolarHBondContact O-CA 3.43Å; D186-Q190 PolarHBondContact O-N 3.24Å; D186-E191 PolarHBondContact N-O 3.43Å; D186-E191 PolarHBondContact O-N 2.75Å; D186-I193 HydrophobicContact CB-CD1 4.35Å
187I97Very high97.8Very high52 Ų5231.2 Ų31.227%0.26717%0.17SC..THydrogen-bonded Turntrans-63.5-28.4-179.4-59.5166.5000110.8W157 K159 H185 S189 Q190W157-I187 HydrophobicContact CB-CB 4.02Å; W157-I187 HydrophobicContact CD2-CB 4.11Å; W157-I187 HydrophobicContact CD2-CD1 4.23Å; W157-I187 HydrophobicContact CD2-CG2 4.27Å; W157-I187 HydrophobicContact CE3-CB 4.16Å; W157-I187 HydrophobicContact CE3-CG2 3.89Å; W157-I187 HydrophobicContact CG-CB 4.03Å; W157-I187 HydrophobicContact CG-CD1 4.24Å; W157-I187 HydrophobicContact CZ3-CG2 4.36Å; W157-I187 PolarHBondContact O-N 3.25Å; K159-I187 HydrophobicContact CG-CD1 3.71Å; H185-I187 PolarHBondContact O-N 3.18Å; I187-S189 PolarHBondContact O-N 3.19Å; I187-Q190 PolarHBondContact O-NE2 3.3Å
188G92.3Very high97.8Very high39 Ų3932.5 Ų32.540%0.40218%0.176SC..THydrogen-bonded Turntrans-64.1-40.4179.800000112.6D186D186-G188 PolarHBondContact O-N 3.06Å; D186-G188 PolarHBondContact OD1-N 2.98Å
189S96.1Very high97.8Very high59 Ų5932.5 Ų32.541%0.41318%0.176SC..THydrogen-bonded Turntrans-107.4-7.6-177.460.10000114.3D186 I187 E191D186-S189 VanDerWaalsContact CB-OG 3.31Å; D186-S189 WeakPolarHBondContact CB-OG 3.5Å; D186-S189 PolarHBondContact O-N 2.87Å; D186-S189 PolarHBondContact OD2-OG 3.06Å; I187-S189 PolarHBondContact O-N 3.19Å; S189-E191 PolarHBondContact O-N 2.92Å
190Q96.5Very high97.8Very high130 Ų13030.6 Ų30.661%0.60717%0.166SC*.THydrogen-bonded Turntrans59.821.2-170.3-58.1-68.1-64.300113.9D186 I187D186-Q190 VanDerWaalsContact O-CA 3.22Å; D186-Q190 WeakPolarHBondContact O-CA 3.43Å; D186-Q190 PolarHBondContact O-N 3.24Å; I187-Q190 PolarHBondContact O-NE2 3.3Å
191E96.6Very high97.8Very high71 Ų7130.8 Ų30.833%0.33217%0.167SC..EExtended strand (participates in β ladder)trans-84.5140.9179.8-68.7-150.4112.500112.8H185 D186 S189 I193 R214 K217H185-E191 WeakPolarHBondContact CA-O 3.37Å; D186-E191 PolarHBondContact N-O 3.43Å; D186-E191 PolarHBondContact O-N 2.75Å; S189-E191 PolarHBondContact O-N 2.92Å; E191-I193 HydrophobicContact CB-CD1 4.47Å; E191-I193 HydrophobicContact CB-CG1 4.17Å; E191-R214 IonicContact OE2-NH2 2.7Å; E191-K217 IonicContact OE1-NZ 3.92Å; E191-K217 PolarHBondContact OE1-NZ 3.11Å
192I97.5Very high97.8Very high75 Ų7530.4 Ų30.439%0.38516%0.164SC..EExtended strand (participates in β ladder)trans-96.3124.2163.8-55.2-58000109.1V161 L183 L184 H185 K217V161-I192 HydrophobicContact CG2-CD1 4.28Å; L183-I192 HydrophobicContact CB-CG2 4.08Å; L183-I192 HydrophobicContact CD1-CG2 4.12Å; L183-I192 HydrophobicContact CD2-CG2 4.25Å; L183-I192 HydrophobicContact CG-CG2 4.38Å; L184-I192 CarbonylContact O-C 3.49Å; L184-I192 VanDerWaalsContact O-CA 3.32Å; L184-I192 WeakPolarHBondContact O-CA 3.44Å; H185-I192 HydrophobicContact CB-CD1 3.76Å; I192-K217 WeakPolarHBondContact O-CE 3.35Å
193I98Very high97.8Very high2 Ų231.4 Ų31.41%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-123.2111.2-172.4-56.6167.1000108.6Y158 L184 D186 E191 W195 R214Y158-I193 HydrophobicContact CD1-CD1 4.48Å; Y158-I193 HydrophobicContact CE1-CD1 3.67Å; L184-I193 HydrophobicContact CB-CB 4.38Å; L184-I193 PolarHBondContact N-O 2.77Å; L184-I193 PolarHBondContact O-N 2.69Å; D186-I193 HydrophobicContact CB-CD1 4.35Å; E191-I193 HydrophobicContact CB-CD1 4.47Å; E191-I193 HydrophobicContact CB-CG1 4.17Å; I193-W195 HydrophobicContact CG2-CE3 3.86Å; I193-W195 HydrophobicContact CG2-CZ3 4.11Å; I193-R214 HydrophobicContact CG2-CG 3.83Å
194P98.3Very high97.7Very high11 Ų1137.1 Ų37.17%0.07120%0.196CC..EExtended strand (participates in β ladder)trans-73.3139.1173.727-28.3000110.8I182 L183 L215 P216I182-P194 WeakPolarHBondContact O-CA 3.38Å; L183-P194 HydrophobicContact CD2-CB 3.73Å; P194-L215 HydrophobicContact CB-CB 4.05Å; P194-L215 HydrophobicContact CG-CB 4.09Å; P194-L215 PolarHBondContact O-N 2.82Å; P194-P216 WeakPolarHBondContact CG-O 3.46Å
195W98.7Very high97.6Very high13 Ų1344.8 Ų44.85%0.04923%0.226CC..EExtended strand (participates in β ladder)trans-139.6131.3-177.7-143.4-70.4000110.2I147 N151 T181 I182 L184 I193 N212 R214I147-W195 HydrophobicContact CG2-CD2 3.64Å; I147-W195 HydrophobicContact CG2-CE3 4.22Å; I147-W195 HydrophobicContact CG2-CG 3.84Å; I147-W195 HydrophobicContact CG2-CZ2 4.06Å; N151-W195 HydrophobicContact CB-CH2 3.94Å; N151-W195 HydrophobicContact CB-CZ2 4.49Å; N151-W195 WeakPolarHBondContact ND2-CZ2 3.32Å; N151-W195 WeakPolarHBondContact OD1-CH2 3.4Å; N151-W195 WeakPolarHBondContact OD1-CZ2 3.46Å; T181-W195 CarbonylContact C-O 3.53Å; T181-W195 WeakPolarHBondContact CA-O 3.36Å; I182-W195 HydrophobicContact CG1-CB 3.94Å; I182-W195 WeakPolarHBondContact CG1-O 3.24Å; I182-W195 PolarHBondContact N-O 3.06Å; I182-W195 PolarHBondContact O-N 2.75Å; L184-W195 HydrophobicContact CD1-CD2 4.28Å; L184-W195 HydrophobicContact CD1-CE3 3.63Å; L184-W195 HydrophobicContact CD1-CZ3 4.14Å; I193-W195 HydrophobicContact CG2-CE3 3.86Å; I193-W195 HydrophobicContact CG2-CZ3 4.11Å; W195-N212 PolarHBondContact NE1-OD1 2.83Å; W195-R214 HydrophobicContact CD2-CB 4.17Å; W195-R214 HydrophobicContact CE3-CB 4.11Å; W195-R214 HydrophobicContact CE3-CG 4.26Å; W195-R214 HydrophobicContact CH2-CB 4.12Å; W195-R214 HydrophobicContact CZ2-CB 4.16Å; W195-R214 HydrophobicContact CZ3-CB 4.1Å; W195-R214 HydrophobicContact CZ3-CG 4.27Å
196Q98.6Very high97.5Very high35 Ų3544.1 Ų44.116%0.16423%0.231CC..EExtended strand (participates in β ladder)trans-94.8136.5171.8-173.5-80.3-2900109.4D179 Y180 N212 S213 L215D179-Q196 PolarHBondContact OD1-NE2 2.81Å; Y180-Q196 CarbonylContact O-C 3.59Å; Y180-Q196 VanDerWaalsContact O-CA 3.31Å; Y180-Q196 WeakPolarHBondContact O-CA 3.43Å; Q196-N212 CarbonylContact O-C 3.53Å; Q196-N212 WeakPolarHBondContact O-CA 3.32Å; Q196-N212 VanDerWaalsContact O-CB 3.27Å; Q196-N212 WeakPolarHBondContact O-CB 3.42Å; Q196-S213 PolarHBondContact N-O 2.99Å; Q196-S213 PolarHBondContact O-N 3.37Å; Q196-L215 HydrophobicContact CB-CD1 4.07Å; Q196-L215 HydrophobicContact CB-CD2 3.94Å; Q196-L215 HydrophobicContact CB-CG 4.02Å
197M98.5Very high97.6Very high0 Ų044.5 Ų44.50%023%0.234CC..EExtended strand (participates in β ladder)trans-142.6129.9172.164-178.7-174.500111.4A140 A143 C144 I147 Y180 I182 V199 V209 N212A140-M197 HydrophobicContact CB-CE 4.12Å; A143-M197 HydrophobicContact CB-CE 3.88Å; A143-M197 HydrophobicContact CB-SD 3.92Å; C144-M197 HydrophobicContact CB-CE 4.47Å; I147-M197 HydrophobicContact CD1-CB 4.12Å; I147-M197 HydrophobicContact CG1-CB 4.42Å; I147-M197 HydrophobicContact CG1-SD 3.88Å; Y180-M197 HydrophobicContact CD2-CE 4.1Å; Y180-M197 HydrophobicContact CG-CE 4Å; Y180-M197 PolarHBondContact N-O 2.74Å; Y180-M197 PolarHBondContact O-N 2.98Å; I182-M197 HydrophobicContact CD1-CE 4.1Å; I182-M197 HydrophobicContact CD1-SD 4.07Å; I182-M197 HydrophobicContact CG2-CE 3.76Å; M197-V199 HydrophobicContact CE-CG2 4.3Å; M197-V199 HydrophobicContact CG-CG2 4Å; M197-V199 HydrophobicContact SD-CG2 4.23Å; M197-V209 HydrophobicContact CB-CG1 4.32Å; M197-N212 HydrophobicContact CB-CB 4.02Å
198Q98.6Very high97.6Very high32 Ų3248 Ų4815%0.1525%0.247CC..EExtended strand (participates in β ladder)trans-95.7116.8172.1-170.6167.654.600109E177 K210 H211E177-Q198 HydrophobicContact CG-CG 3.93Å; E177-Q198 WeakPolarHBondContact OE1-CG 3.36Å; E177-Q198 PolarHBondContact OE1-NE2 2.95Å; E177-Q198 PolarHBondContact OE1-OE1 2.84Å; Q198-K210 HydrophobicContact CG-CD 4.35Å; Q198-K210 PolarHBondContact O-N 3.14Å; Q198-H211 HydrophobicContact CB-CB 4.5Å; Q198-H211 PolarHBondContact N-O 2.8Å; Q198-H211 PolarHBondContact OE1-CD2 3.29Å
199V98.8Very high97.9Very high1 Ų146.6 Ų46.61%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-111.8126.3-170.8-178.30000109.6A143 E177 L178 Y180 M197 T207A143-V199 HydrophobicContact CB-CB 4.37Å; A143-V199 HydrophobicContact CB-CG1 3.91Å; A143-V199 HydrophobicContact CB-CG2 3.47Å; A143-V199 VanDerWaalsContact CB-CG2 3.47Å; E177-V199 VanDerWaalsContact CA-O 3.29Å; E177-V199 WeakPolarHBondContact CA-O 3.46Å; L178-V199 PolarHBondContact N-O 2.86Å; L178-V199 PolarHBondContact O-N 2.9Å; Y180-V199 HydrophobicContact CD2-CB 4.14Å; Y180-V199 HydrophobicContact CD2-CG2 3.66Å; Y180-V199 HydrophobicContact CE2-CB 4.03Å; Y180-V199 HydrophobicContact CE2-CG2 3.91Å; M197-V199 HydrophobicContact CE-CG2 4.3Å; M197-V199 HydrophobicContact CG-CG2 4Å; M197-V199 HydrophobicContact SD-CG2 4.23Å; V199-T207 HydrophobicContact CG1-CG2 3.72Å
200L98.7Very high98Very high19 Ų1947.5 Ų47.510%0.09923%0.227CC..EExtended strand (participates in β ladder)trans-98.4136.4165.8-57.5179.2000108.9F175 I176 E177 K208 K210F175-L200 HydrophobicContact CD1-CB 4.13Å; I176-L200 CarbonylContact O-C 3.54Å; I176-L200 WeakPolarHBondContact O-CA 3.39Å; E177-L200 HydrophobicContact CB-CD2 3.64Å; E177-L200 HydrophobicContact CG-CD2 3.7Å; L200-K208 HydrophobicContact CB-CB 4.38Å; L200-K208 PolarHBondContact N-O 2.83Å; L200-K208 PolarHBondContact O-N 3.05Å; L200-K210 HydrophobicContact CD1-CB 4.34Å; L200-K210 HydrophobicContact CD1-CD 4.25Å; L200-K210 HydrophobicContact CD1-CG 4.5Å; L200-K210 HydrophobicContact CD2-CD 4.43Å; L200-K210 HydrophobicContact CG-CB 4.22Å; L200-K210 HydrophobicContact CG-CD 4.37Å
201W98.7Very high98Very high3 Ų346.6 Ų46.61%0.01122%0.223CC..EExtended strand (participates in β ladder)trans-143.4142177.1177.676.4000112.1P28 D103 F106 Y107 L110 L139 I176 P203 G206P28-W201 HydrophobicContact CG-CH2 4.3Å; P28-W201 HydrophobicContact CG-CZ2 3.68Å; D103-W201 HydrophobicContact CB-CZ2 4.21Å; D103-W201 WeakPolarHBondContact O-CH2 3.41Å; F106-W201 AromaticContact CD1-CH2 3.62Å; F106-W201 HydrophobicContact CD1-CH2 3.62Å; F106-W201 HydrophobicContact CD1-CZ2 4.32Å; F106-W201 AromaticContact CD1-CZ3 3.83Å; F106-W201 HydrophobicContact CD1-CZ3 3.83Å; F106-W201 HydrophobicContact CE1-CH2 4.33Å; F106-W201 HydrophobicContact CE1-CZ3 4.2Å; F106-W201 HydrophobicContact CG-CH2 4.48Å; Y107-W201 HydrophobicContact CD2-CZ3 4.06Å; Y107-W201 HydrophobicContact CG-CZ3 4.4Å; L110-W201 HydrophobicContact CD1-CZ3 4.36Å; L139-W201 HydrophobicContact CD1-CB 4.13Å; L139-W201 HydrophobicContact CD1-CD2 4.49Å; L139-W201 HydrophobicContact CD1-CG 3.82Å; L139-W201 HydrophobicContact CD2-CB 4.01Å; L139-W201 HydrophobicContact CD2-CD2 4.25Å; L139-W201 HydrophobicContact CD2-CG 4.02Å; I176-W201 HydrophobicContact CB-CE3 4.23Å; I176-W201 HydrophobicContact CG1-CE3 4.05Å; I176-W201 HydrophobicContact CG1-CZ3 4.36Å; I176-W201 PolarHBondContact N-O 2.76Å; I176-W201 PolarHBondContact O-N 2.92Å; W201-P203 HydrophobicContact CZ2-CB 4.31Å; W201-G206 WeakPolarHBondContact CA-O 3.32Å
202H98.4Very high98.1Very high14 Ų1445.8 Ų45.87%0.06522%0.221CC..EExtended strand (participates in β ladder)trans-151.1139.1168.6-179.4-90.7000108.7Y107 D174 F175 Q204 Y205 G206Y107-H202 AromaticContact CE2-CD2 3.79Å; Y107-H202 AromaticContact CZ-CD2 3.87Å; D174-H202 PolarHBondContact O-CD2 2.82Å; F175-H202 HydrophobicContact CD1-CB 3.85Å; F175-H202 HydrophobicContact CE1-CB 3.82Å; F175-H202 HydrophobicContact CZ-CB 4.49Å; H202-Q204 PolarHBondContact ND1-N 2.92Å; H202-Q204 VanDerWaalsContact ND1-N 3.16Å; H202-Q204 PolarHBondContact O-N 2.91Å; H202-Q204 VanDerWaalsContact O-N 3.1Å; H202-Y205 HydrophobicContact CB-CD2 3.8Å; H202-Y205 HydrophobicContact CB-CG 4.49Å; H202-Y205 AromaticContact CE1-CD2 3.9Å; H202-Y205 AromaticContact CE1-CE2 3.89Å; H202-Y205 AromaticContact CG-CD2 3.55Å; H202-Y205 AromaticContact ND1-CD2 3.17Å; H202-Y205 WeakPolarHBondContact ND1-CD2 3.16Å; H202-Y205 AromaticContact ND1-CE2 3.64Å; H202-Y205 PolarHBondContact O-N 2.77Å; H202-G206 PolarHBondContact N-O 2.86Å; H202-G206 PolarHBondContact O-N 2.88Å
203P97.8Very high98.1Very high22 Ų2244.8 Ų44.814%0.14322%0.221CC..THydrogen-bonded Turntrans-57.1-32.9-173.520.5-33.7000113.7D103 N104 Y107 W201D103-P203 HydrophobicContact CB-CB 4.22Å; N104-P203 VanDerWaalsContact OD1-CG 3.28Å; N104-P203 WeakPolarHBondContact OD1-CG 3.39Å; Y107-P203 HydrophobicContact CD1-CG 4.18Å; Y107-P203 HydrophobicContact CD2-CG 4.39Å; Y107-P203 HydrophobicContact CG-CG 3.88Å; W201-P203 HydrophobicContact CZ2-CB 4.31Å
204Q96.6Very high98.1Very high147 Ų14751.1 Ų51.169%0.68724%0.244SC*.THydrogen-bonded Turntrans-86.9-25.7178.2-59.5175.6-1.200114.4H202H202-Q204 PolarHBondContact ND1-N 2.92Å; H202-Q204 VanDerWaalsContact ND1-N 3.16Å; H202-Q204 PolarHBondContact O-N 2.91Å; H202-Q204 VanDerWaalsContact O-N 3.1Å
205Y96.9Very high98Very high161 Ų16153 Ų5363%0.63125%0.254SS*.THydrogen-bonded Turntrans-103.2-10.4-174-59.7-66.7000112.9F175 H202F175-Y205 HydrophobicContact CE1-CD2 4.12Å; F175-Y205 HydrophobicContact CE1-CG 4.34Å; F175-Y205 HydrophobicContact CE2-CD2 4.19Å; F175-Y205 AromaticContact CZ-CD2 3.59Å; F175-Y205 HydrophobicContact CZ-CD2 3.59Å; F175-Y205 HydrophobicContact CZ-CE2 4.37Å; F175-Y205 AromaticContact CZ-CG 3.88Å; F175-Y205 HydrophobicContact CZ-CG 3.88Å; H202-Y205 HydrophobicContact CB-CD2 3.8Å; H202-Y205 HydrophobicContact CB-CG 4.49Å; H202-Y205 AromaticContact CE1-CD2 3.9Å; H202-Y205 AromaticContact CE1-CE2 3.89Å; H202-Y205 AromaticContact CG-CD2 3.55Å; H202-Y205 AromaticContact ND1-CD2 3.17Å; H202-Y205 WeakPolarHBondContact ND1-CD2 3.16Å; H202-Y205 AromaticContact ND1-CE2 3.64Å; H202-Y205 PolarHBondContact O-N 2.77Å
206G97.6Very high97.7Very high29 Ų2957.7 Ų57.730%0.29929%0.286SS..EExtended strand (participates in β ladder)trans79.3-158.8-179.300000113.4W201 H202W201-G206 WeakPolarHBondContact CA-O 3.32Å; H202-G206 PolarHBondContact N-O 2.86Å; H202-G206 PolarHBondContact O-N 2.88Å
207T98.7Very high97Very high19 Ų1961.7 Ų61.712%0.11730%0.302CS..EExtended strand (participates in β ladder)trans-102.7138.6-176.4-54.30000110.5Y23 L139 V142 A143 V199Y23-T207 HydrophobicContact CE2-CG2 4.43Å; L139-T207 HydrophobicContact CD1-CG2 4.15Å; V142-T207 HydrophobicContact CG1-CG2 4.06Å; V142-T207 WeakPolarHBondContact CG1-OG1 3.37Å; A143-T207 HydrophobicContact CB-CG2 4.08Å; V199-T207 HydrophobicContact CG1-CG2 3.72Å
208K98.7Very high95.6Very high125 Ų12568.6 Ų68.654%0.54334%0.335SS..EExtended strand (participates in β ladder)trans-136.6125.5173179.4177.1-179.81780110.7L200 K210L200-K208 HydrophobicContact CB-CB 4.38Å; L200-K208 PolarHBondContact N-O 2.83Å; L200-K208 PolarHBondContact O-N 3.05Å; K208-K210 PolarHBondContact O-N 2.87Å
209V98.7Very high93.2Very high11 Ų1173.3 Ų73.37%0.06737%0.365CS..EExtended strand (participates in β ladder)trans-80.9111.8166.4-179.30000108.4Y23 A143 Y146 I147 M197 N212Y23-V209 HydrophobicContact CE2-CG2 4.05Å; Y23-V209 PolarHBondContact OH-N 3.03Å; A143-V209 HydrophobicContact CB-CG2 4.11Å; Y146-V209 HydrophobicContact CD1-CB 3.6Å; Y146-V209 HydrophobicContact CD1-CG1 3.85Å; Y146-V209 HydrophobicContact CD1-CG2 3.79Å; Y146-V209 HydrophobicContact CE1-CB 4.04Å; Y146-V209 HydrophobicContact CE1-CG1 4.09Å; Y146-V209 HydrophobicContact CG-CB 4.17Å; Y146-V209 HydrophobicContact CG-CG2 4.06Å; I147-V209 HydrophobicContact CD1-CG1 4.16Å; M197-V209 HydrophobicContact CB-CG1 4.32Å; V209-N212 HydrophobicContact CG1-CB 3.97Å
210K97.8Very high90.5Very high77 Ų7781.5 Ų81.534%0.33540%0.404SS..EExtended strand (participates in β ladder)trans-80.6-48.8-175.5179.8-170.8164.6-153.60111.8E177 Q198 L200 K208E177-K210 IonicContact OE1-NZ 2.8Å; E177-K210 PolarHBondContact OE1-NZ 2.72Å; Q198-K210 HydrophobicContact CG-CD 4.35Å; Q198-K210 PolarHBondContact O-N 3.14Å; L200-K210 HydrophobicContact CD1-CB 4.34Å; L200-K210 HydrophobicContact CD1-CD 4.25Å; L200-K210 HydrophobicContact CD1-CG 4.5Å; L200-K210 HydrophobicContact CD2-CD 4.43Å; L200-K210 HydrophobicContact CG-CB 4.22Å; L200-K210 HydrophobicContact CG-CD 4.37Å; K208-K210 PolarHBondContact O-N 2.87Å
211H95.6Very high87.3Confident111 Ų11188.5 Ų88.551%0.51444%0.44SS..EExtended strand (participates in β ladder)trans-141.8151.1174.8-60.2-59000108.6Q198Q198-H211 HydrophobicContact CB-CB 4.5Å; Q198-H211 PolarHBondContact N-O 2.8Å; Q198-H211 PolarHBondContact OE1-CD2 3.29Å
212N98.4Very high84.2Confident54 Ų54101 Ų10129%0.28950%0.499SS..EExtended strand (participates in β ladder)trans-154.6156.9172.373.893.4000110.3I147 W195 Q196 M197 V209I147-N212 HydrophobicContact CD1-CB 3.42Å; I147-N212 VanDerWaalsContact CD1-CB 3.42Å; I147-N212 WeakPolarHBondContact CD1-OD1 3.46Å; W195-N212 PolarHBondContact NE1-OD1 2.83Å; Q196-N212 CarbonylContact O-C 3.53Å; Q196-N212 WeakPolarHBondContact O-CA 3.32Å; Q196-N212 VanDerWaalsContact O-CB 3.27Å; Q196-N212 WeakPolarHBondContact O-CB 3.42Å; M197-N212 HydrophobicContact CB-CB 4.02Å; V209-N212 HydrophobicContact CG1-CB 3.97Å
213S97.9Very high83.5Confident55 Ų55105.4 Ų105.439%0.38552%0.521SS..EExtended strand (participates in β ladder)trans-156.6144174.458.60000111.6Q196 L215Q196-S213 PolarHBondContact N-O 2.99Å; Q196-S213 PolarHBondContact O-N 3.37Å; S213-L215 PolarHBondContact O-N 2.84Å
214R97.6Very high82.8Confident134 Ų134109.8 Ų109.851%0.50654%0.541SS..EExtended strand (participates in β ladder)trans-66.6131.1166.3-178.9177.7179.6169.76.3108.5E191 I193 W195E191-R214 IonicContact OE2-NH2 2.7Å; I193-R214 HydrophobicContact CG2-CG 3.83Å; W195-R214 HydrophobicContact CD2-CB 4.17Å; W195-R214 HydrophobicContact CE3-CB 4.11Å; W195-R214 HydrophobicContact CE3-CG 4.26Å; W195-R214 HydrophobicContact CH2-CB 4.12Å; W195-R214 HydrophobicContact CZ2-CB 4.16Å; W195-R214 HydrophobicContact CZ3-CB 4.1Å; W195-R214 HydrophobicContact CZ3-CG 4.27Å
215L96.4Very high82Confident52 Ų52107.7 Ų107.727%0.27253%0.533SS..PPolyproline II helixtrans-93.3154.2176.4-61.5-179.7000110.9T181 P194 Q196 S213T181-L215 HydrophobicContact CG2-CD1 3.69Å; P194-L215 HydrophobicContact CB-CB 4.05Å; P194-L215 HydrophobicContact CG-CB 4.09Å; P194-L215 PolarHBondContact O-N 2.82Å; Q196-L215 HydrophobicContact CB-CD1 4.07Å; Q196-L215 HydrophobicContact CB-CD2 3.94Å; Q196-L215 HydrophobicContact CB-CG 4.02Å; S213-L215 PolarHBondContact O-N 2.84Å
216P93.3Very high81.1Confident111 Ų111104.6 Ų104.672%0.72153%0.527SS*.PPolyproline II helixtrans-58.4149165.2-19.832.4000110.7P194 E218P194-P216 WeakPolarHBondContact CG-O 3.46Å; P216-E218 PolarHBondContact O-N 2.9Å
217K83.9Confident80.1Confident118 Ų118109.3 Ų109.351%0.51354%0.541SS..PPolyproline II helixtrans-62.5125.6167.3-68.9-178.4-176.5171.40107.5E191 I192 V219E191-K217 IonicContact OE1-NZ 3.92Å; E191-K217 PolarHBondContact OE1-NZ 3.11Å; I192-K217 WeakPolarHBondContact O-CE 3.35Å; K217-V219 PolarHBondContact O-N 3.13Å
218E68.1Low78.9Confident146 Ų146115.3 Ų115.368%0.68257%0.569SS**PPolyproline II helixtrans-60.6123171.7-73.9-179.4159.300108.4Q164 P216 Q220Q164-E218 PolarHBondContact NE2-OE2 2.92Å; P216-E218 PolarHBondContact O-N 2.9Å; E218-Q220 PolarHBondContact O-N 2.75Å; E218-Q220 VanDerWaalsContact O-N 3.07Å
219V48.2Very low77.5Confident130 Ų130114.6 Ų114.679%0.78857%0.571SS**  trans-70.8101.7169.1-177.60000105.7K217 L221K217-V219 PolarHBondContact O-N 3.13Å; V219-L221 PolarHBondContact O-N 3.22Å
220Q43.3Very low75.8Confident174 Ų174122.6 Ų122.681%0.81361%0.61SS**  trans-64.5105.8167.8-70.8-173.8-15.200106.9E218 E222E218-Q220 PolarHBondContact O-N 2.75Å; E218-Q220 VanDerWaalsContact O-N 3.07Å; Q220-E222 PolarHBondContact O-N 2.62Å
221L31.9Very low74Confident166 Ų166126.4 Ų126.487%0.86963%0.633SS**  trans-66.7110.1161.6-78.4158.4000105.8V219V219-L221 PolarHBondContact O-N 3.22Å
222E33.4Very low72Confident266 Ų266127.8 Ų127.8100%1.24364%0.644SS**  trans-54.60174.1-66.4-179.5158.500112.7Q220Q220-E222 PolarHBondContact O-N 2.62Å

Retrieved 222 of 222 residues in 89.6 ms (Link to these results)

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