A0A077ZDS4_TRITR Loading...

Cytosolic non specific dipeptidase

AlphaFold DB , UniProt , Accession A0A077ZDS4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 454 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
1F95.6Very high97.4Very high66 Ų6659.4 Ų59.429%0.28931%0.314SS..  0-720-160.3-87.2000112.1E3 D4 H5 Y9 A124 K127 T128F1-E3 VanDerWaalsContact C-N 3.33Å; F1-E3 PolarHBondContact O-N 2.93Å; F1-D4 VanDerWaalsContact CA-OD2 3.3Å; F1-D4 WeakPolarHBondContact CA-OD2 2.94Å; F1-D4 PolarHBondContact N-OD2 3.04Å; F1-D4 PolarHBondContact O-N 3.49Å; F1-H5 AromaticContact CD1-ND1 3.9Å; F1-H5 AromaticContact CD2-CE1 3.61Å; F1-H5 AromaticContact CD2-ND1 3.91Å; F1-H5 HydrophobicContact CE1-CB 4.48Å; F1-H5 AromaticContact CE1-CG 3.91Å; F1-H5 AromaticContact CE1-ND1 3.73Å; F1-H5 AromaticContact CE2-CE1 3.22Å; F1-H5 WeakPolarHBondContact CE2-CE1 3.23Å; F1-H5 AromaticContact CE2-ND1 3.75Å; F1-H5 AromaticContact CE2-NE2 3.62Å; F1-H5 AromaticContact CG-ND1 3.97Å; F1-H5 AromaticContact CZ-CD2 3.85Å; F1-H5 AromaticContact CZ-CE1 3.43Å; F1-H5 VanDerWaalsContact CZ-CE1 3.43Å; F1-H5 WeakPolarHBondContact CZ-CE1 3.37Å; F1-H5 AromaticContact CZ-CG 3.91Å; F1-H5 AromaticContact CZ-ND1 3.64Å; F1-H5 AromaticContact CZ-NE2 3.54Å; F1-H5 PolarHBondContact O-N 2.92Å; F1-H5 PolarHBondContact O-ND1 3.16Å; F1-Y9 WeakPolarHBondContact CE1-OH 3.27Å; F1-A124 HydrophobicContact CD1-CB 3.6Å; F1-A124 HydrophobicContact CE1-CB 3.97Å; F1-K127 HydrophobicContact CD2-CB 4.3Å; F1-K127 HydrophobicContact CE1-CB 4.29Å; F1-K127 HydrophobicContact CE2-CB 3.37Å; F1-K127 HydrophobicContact CE2-CG 4.18Å; F1-K127 HydrophobicContact CZ-CB 3.37Å; F1-K127 HydrophobicContact CZ-CG 3.76Å; F1-T128 HydrophobicContact CB-CG2 3.62Å; F1-T128 HydrophobicContact CD2-CG2 3.68Å; F1-T128 HydrophobicContact CG-CG2 3.67Å
2V96.8Very high97.5Very high22 Ų2258.1 Ų58.113%0.13330%0.302CS..THydrogen-bonded Turntrans-53-47.4-177.7165.60000112.5D4 H5 V6 Y9 A124 I439 T442 K443V2-D4 VanDerWaalsContact C-N 3.3Å; V2-D4 PolarHBondContact O-N 2.8Å; V2-H5 PolarHBondContact O-N 3.07Å; V2-V6 PolarHBondContact O-N 2.83Å; V2-Y9 HydrophobicContact CB-CE2 4.23Å; V2-Y9 HydrophobicContact CG1-CE2 3.98Å; V2-Y9 HydrophobicContact CG2-CE2 4.27Å; V2-A124 HydrophobicContact CG2-CB 4.36Å; V2-I439 HydrophobicContact CG1-CG2 3.88Å; V2-T442 HydrophobicContact CG1-CG2 4.42Å; V2-T442 HydrophobicContact CG2-CG2 4.13Å; V2-K443 HydrophobicContact CB-CG 4.21Å; V2-K443 HydrophobicContact CG1-CD 4.46Å; V2-K443 HydrophobicContact CG1-CG 3.77Å; V2-K443 HydrophobicContact CG2-CG 4.42Å
3E96.3Very high97.5Very high103 Ų10353.6 Ų53.648%0.48128%0.279SS..G310 helixtrans-61.7-36.1177.1-67.9-65.6170.500113.2F1 H5 V6 K443F1-E3 VanDerWaalsContact C-N 3.33Å; F1-E3 PolarHBondContact O-N 2.93Å; E3-H5 PolarHBondContact O-N 3.37Å; E3-V6 WeakPolarHBondContact O-CG2 3.09Å; E3-K443 VanDerWaalsContact OE1-CE 3.31Å; E3-K443 WeakPolarHBondContact OE1-CE 3.45Å; E3-K443 IonicContact OE1-NZ 3.47Å; E3-K443 PolarHBondContact OE1-NZ 2.73Å
4D97.4Very high97.6Very high123 Ų12354.6 Ų54.666%0.65828%0.277SS*.G310 helixtrans-75.3-17.3-177.7-45.9-56.9000112.3F1 V2F1-D4 VanDerWaalsContact CA-OD2 3.3Å; F1-D4 WeakPolarHBondContact CA-OD2 2.94Å; F1-D4 PolarHBondContact N-OD2 3.04Å; F1-D4 PolarHBondContact O-N 3.49Å; V2-D4 VanDerWaalsContact C-N 3.3Å; V2-D4 PolarHBondContact O-N 2.8Å
5H97.5Very high97.7Very high57 Ų5757.3 Ų57.326%0.26429%0.288SS..G310 helixtrans-11412.6-175.2-64.375000113F1 V2 E3 P7 T8 Y9F1-H5 AromaticContact CD1-ND1 3.9Å; F1-H5 AromaticContact CD2-CE1 3.61Å; F1-H5 AromaticContact CD2-ND1 3.91Å; F1-H5 HydrophobicContact CE1-CB 4.48Å; F1-H5 AromaticContact CE1-CG 3.91Å; F1-H5 AromaticContact CE1-ND1 3.73Å; F1-H5 AromaticContact CE2-CE1 3.22Å; F1-H5 WeakPolarHBondContact CE2-CE1 3.23Å; F1-H5 AromaticContact CE2-ND1 3.75Å; F1-H5 AromaticContact CE2-NE2 3.62Å; F1-H5 AromaticContact CG-ND1 3.97Å; F1-H5 AromaticContact CZ-CD2 3.85Å; F1-H5 AromaticContact CZ-CE1 3.43Å; F1-H5 VanDerWaalsContact CZ-CE1 3.43Å; F1-H5 WeakPolarHBondContact CZ-CE1 3.37Å; F1-H5 AromaticContact CZ-CG 3.91Å; F1-H5 AromaticContact CZ-ND1 3.64Å; F1-H5 AromaticContact CZ-NE2 3.54Å; F1-H5 PolarHBondContact O-N 2.92Å; F1-H5 PolarHBondContact O-ND1 3.16Å; V2-H5 PolarHBondContact O-N 3.07Å; E3-H5 PolarHBondContact O-N 3.37Å; H5-P7 VanDerWaalsContact C-CD 3.46Å; H5-P7 VanDerWaalsContact C-N 3.32Å; H5-T8 WeakPolarHBondContact O-CB 3.47Å; H5-T8 PolarHBondContact O-N 2.7Å; H5-Y9 HydrophobicContact CB-CD1 4.46Å; H5-Y9 HydrophobicContact CB-CE1 3.97Å; H5-Y9 HydrophobicContact CB-CE2 4.28Å; H5-Y9 PolarHBondContact O-N 3.38Å
6V98Very high97.7Very high24 Ų2453.7 Ų53.715%0.14527%0.27CS..Hα-helixtrans-48.9-46.1175.7171.40000112.6V2 E3 T8 Y9 V10 K435 I439V2-V6 PolarHBondContact O-N 2.83Å; E3-V6 WeakPolarHBondContact O-CG2 3.09Å; V6-T8 VanDerWaalsContact C-N 3.32Å; V6-T8 PolarHBondContact O-N 2.94Å; V6-Y9 PolarHBondContact O-N 2.79Å; V6-V10 HydrophobicContact CG1-CG2 4.39Å; V6-V10 WeakPolarHBondContact O-CG2 3.32Å; V6-V10 PolarHBondContact O-N 3.36Å; V6-K435 HydrophobicContact CG1-CD 4.24Å; V6-I439 HydrophobicContact CB-CD1 4.26Å; V6-I439 HydrophobicContact CG1-CD1 4Å; V6-I439 HydrophobicContact CG1-CG1 4.07Å; V6-I439 HydrophobicContact CG2-CD1 3.89Å; V6-I439 HydrophobicContact CG2-CG1 3.96Å; V6-I439 HydrophobicContact CG2-CG2 3.85Å
7P97.8Very high97.8Very high96 Ų9650.5 Ų50.562%0.62325%0.254SS*.Hα-helixtrans-59.3-40.4177.7-24.935.8000113.3H5 E11H5-P7 VanDerWaalsContact C-CD 3.46Å; H5-P7 VanDerWaalsContact C-N 3.32Å; P7-E11 PolarHBondContact O-N 2.96Å
8T97.5Very high97.8Very high65 Ų6550.7 Ų50.740%0.39926%0.261SS..Hα-helixtrans-66.5-39.9177.8-56.20000111.6H5 V6 E11 R12H5-T8 WeakPolarHBondContact O-CB 3.47Å; H5-T8 PolarHBondContact O-N 2.7Å; V6-T8 VanDerWaalsContact C-N 3.32Å; V6-T8 PolarHBondContact O-N 2.94Å; T8-E11 PolarHBondContact O-N 2.88Å; T8-R12 WeakPolarHBondContact O-CB 3.31Å; T8-R12 PolarHBondContact O-N 2.79Å
9Y98Very high97.8Very high0 Ų048.1 Ų48.10%025%0.247CC..Hα-helixtrans-68.3-38.7179.1-62-16000112.5F1 V2 H5 V6 L13 N120 E123 Y438 I439 T442F1-Y9 WeakPolarHBondContact CE1-OH 3.27Å; V2-Y9 HydrophobicContact CB-CE2 4.23Å; V2-Y9 HydrophobicContact CG1-CE2 3.98Å; V2-Y9 HydrophobicContact CG2-CE2 4.27Å; H5-Y9 HydrophobicContact CB-CD1 4.46Å; H5-Y9 HydrophobicContact CB-CE1 3.97Å; H5-Y9 HydrophobicContact CB-CE2 4.28Å; H5-Y9 PolarHBondContact O-N 3.38Å; V6-Y9 PolarHBondContact O-N 2.79Å; Y9-L13 PolarHBondContact O-N 2.67Å; Y9-L13 VanDerWaalsContact O-N 3.11Å; Y9-N120 HydrophobicContact CD1-CB 3.96Å; Y9-N120 WeakPolarHBondContact CD1-OD1 3.48Å; Y9-N120 HydrophobicContact CD2-CB 4.32Å; Y9-N120 HydrophobicContact CE1-CB 3.81Å; Y9-N120 HydrophobicContact CE2-CB 4.18Å; Y9-N120 HydrophobicContact CG-CB 4.22Å; Y9-E123 WeakPolarHBondContact CE1-OE2 3.34Å; Y9-Y438 WeakPolarHBondContact O-CE1 3.42Å; Y9-Y438 PolarHBondContact O-OH 3.26Å; Y9-I439 HydrophobicContact CD2-CD1 4.05Å; Y9-T442 HydrophobicContact CE2-CG2 4.33Å
10V98.4Very high97.9Very high8 Ų848.4 Ų48.45%0.04825%0.247CC..Hα-helixtrans-65.8-41.1174.8173.30000110.6V6 L13 R14 L103 K435V6-V10 HydrophobicContact CG1-CG2 4.39Å; V6-V10 WeakPolarHBondContact O-CG2 3.32Å; V6-V10 PolarHBondContact O-N 3.36Å; V10-L13 PolarHBondContact O-N 3.17Å; V10-R14 WeakPolarHBondContact O-CB 3.32Å; V10-R14 PolarHBondContact O-N 3.02Å; V10-L103 HydrophobicContact CG1-CD2 4.02Å; V10-L103 HydrophobicContact CG2-CD1 4.2Å; V10-L103 HydrophobicContact CG2-CD2 4.47Å; V10-K435 HydrophobicContact CG2-CD 4.2Å; V10-K435 HydrophobicContact CG2-CG 4.46Å
11E98.2Very high97.9Very high89 Ų8946 Ų4642%0.41624%0.236SC..Hα-helixtrans-67-39.7177.5-167.258-160.500112.3P7 T8 L13 R14 E15P7-E11 PolarHBondContact O-N 2.96Å; T8-E11 PolarHBondContact O-N 2.88Å; E11-L13 VanDerWaalsContact C-N 3.33Å; E11-L13 PolarHBondContact O-N 2.91Å; E11-R14 WeakPolarHBondContact O-CB 3.46Å; E11-R14 PolarHBondContact O-N 3.09Å; E11-R14 VanDerWaalsContact O-N 3.13Å; E11-R14 VanDerWaalsContact OE2-CD 3.32Å; E11-R14 WeakPolarHBondContact OE2-CD 3.48Å; E11-R14 IonicContact OE2-NE 3.17Å; E11-R14 PolarHBondContact OE2-NE 3.47Å; E11-E15 PolarHBondContact O-N 2.99Å
12R97.9Very high97.9Very high44 Ų4442.9 Ų42.917%0.16622%0.222CC..Hα-helixtrans-59.5-42.6173.8-172.2177.4-66.9142.20.2112.3T8 E15 A16 W38 V116 N120 E123T8-R12 WeakPolarHBondContact O-CB 3.31Å; T8-R12 PolarHBondContact O-N 2.79Å; R12-E15 PolarHBondContact O-N 3.21Å; R12-A16 PolarHBondContact O-N 2.93Å; R12-A16 VanDerWaalsContact O-N 3.09Å; R12-W38 HydrophobicContact CG-CH2 3.84Å; R12-W38 HydrophobicContact CG-CZ2 3.78Å; R12-W38 WeakPolarHBondContact O-CZ2 3.3Å; R12-V116 HydrophobicContact CB-CG1 4.22Å; R12-V116 HydrophobicContact CG-CG1 3.67Å; R12-N120 WeakPolarHBondContact CD-OD1 3.26Å; R12-N120 PolarHBondContact NH1-OD1 3.27Å; R12-E123 IonicContact CZ-OE2 3.88Å; R12-E123 VanDerWaalsContact CZ-OE2 3.27Å; R12-E123 IonicContact NH1-OE2 2.74Å; R12-E123 PolarHBondContact NH1-OE2 3.28Å; R12-E123 VanDerWaalsContact NH2-CD 3.25Å; R12-E123 IonicContact NH2-OE1 3.48Å; R12-E123 PolarHBondContact NH2-OE1 3.08Å; R12-E123 VanDerWaalsContact NH2-OE1 3.1Å; R12-E123 IonicContact NH2-OE2 2.75Å; R12-E123 PolarHBondContact NH2-OE2 3.01Å
13L98.6Very high97.8Very high0 Ų042.2 Ų42.20%022%0.218CC..Hα-helixtrans-67.2-37.5175.3-177.258000111.8Y9 V10 E11 E15 A16 V17 L96 L103 K112 V116 I433 Y438Y9-L13 PolarHBondContact O-N 2.67Å; Y9-L13 VanDerWaalsContact O-N 3.11Å; V10-L13 PolarHBondContact O-N 3.17Å; E11-L13 VanDerWaalsContact C-N 3.33Å; E11-L13 PolarHBondContact O-N 2.91Å; L13-E15 PolarHBondContact O-N 3.05Å; L13-A16 PolarHBondContact O-N 3.39Å; L13-V17 HydrophobicContact CD1-CG2 4.16Å; L13-V17 HydrophobicContact CG-CG2 4.42Å; L13-V17 WeakPolarHBondContact O-CB 3.46Å; L13-V17 WeakPolarHBondContact O-CG2 3.29Å; L13-V17 PolarHBondContact O-N 3.14Å; L13-L96 HydrophobicContact CD2-CD1 4.07Å; L13-L96 HydrophobicContact CG-CD1 3.79Å; L13-L103 HydrophobicContact CD2-CD1 4.03Å; L13-K112 HydrophobicContact CD1-CB 4.18Å; L13-V116 HydrophobicContact CD1-CG2 4.42Å; L13-I433 HydrophobicContact CD2-CG2 3.96Å; L13-Y438 HydrophobicContact CB-CE1 4.23Å; L13-Y438 HydrophobicContact CD2-CD1 4.3Å; L13-Y438 HydrophobicContact CD2-CD2 4.4Å; L13-Y438 HydrophobicContact CD2-CE1 4.13Å; L13-Y438 HydrophobicContact CD2-CE2 4.27Å; L13-Y438 HydrophobicContact CD2-CG 4.42Å
14R98.6Very high97.7Very high67 Ų6739.9 Ų39.925%0.25322%0.216SC..Hα-helixtrans-59.2-45.4174.1178.9-175.1-44.6-60.8-4.8111.7V10 E11 V17 S18 L96V10-R14 WeakPolarHBondContact O-CB 3.32Å; V10-R14 PolarHBondContact O-N 3.02Å; E11-R14 WeakPolarHBondContact O-CB 3.46Å; E11-R14 PolarHBondContact O-N 3.09Å; E11-R14 VanDerWaalsContact O-N 3.13Å; E11-R14 VanDerWaalsContact OE2-CD 3.32Å; E11-R14 WeakPolarHBondContact OE2-CD 3.48Å; E11-R14 IonicContact OE2-NE 3.17Å; E11-R14 PolarHBondContact OE2-NE 3.47Å; R14-V17 PolarHBondContact O-N 3.36Å; R14-S18 PolarHBondContact O-N 3.48Å; R14-L96 HydrophobicContact CB-CB 4.19Å; R14-L96 HydrophobicContact CB-CD2 4.38Å; R14-L96 HydrophobicContact CG-CB 4.16Å; R14-L96 VanDerWaalsContact NH1-C 3.32Å; R14-L96 PolarHBondContact NH1-O 3.08Å
15E98.3Very high97.5Very high95 Ų9536.3 Ų36.344%0.44419%0.194SC..Hα-helixtrans-60.4-48.3175.1-71.3180-172.200111.5E11 R12 L13 V17 S18 W38E11-E15 PolarHBondContact O-N 2.99Å; R12-E15 PolarHBondContact O-N 3.21Å; L13-E15 PolarHBondContact O-N 3.05Å; E15-V17 PolarHBondContact O-N 2.89Å; E15-S18 WeakPolarHBondContact O-CB 3.13Å; E15-S18 PolarHBondContact O-N 3.27Å; E15-S18 PolarHBondContact O-OG 3.24Å; E15-W38 HydrophobicContact CB-CZ2 4.31Å
16A98.5Very high97Very high0 Ų040.7 Ų40.70%021%0.214CC..Hα-helixtrans-56.8-48.4176.800000112.4R12 L13 S18 I19 M35 W38 K112 V116R12-A16 PolarHBondContact O-N 2.93Å; R12-A16 VanDerWaalsContact O-N 3.09Å; L13-A16 PolarHBondContact O-N 3.39Å; A16-S18 PolarHBondContact O-N 3.23Å; A16-I19 PolarHBondContact O-N 3.11Å; A16-M35 HydrophobicContact CB-CE 3.96Å; A16-W38 HydrophobicContact CB-CE3 4.48Å; A16-W38 HydrophobicContact CB-CH2 3.58Å; A16-W38 HydrophobicContact CB-CZ2 4.04Å; A16-W38 HydrophobicContact CB-CZ3 3.83Å; A16-K112 HydrophobicContact CB-CB 4.37Å; A16-K112 HydrophobicContact CB-CD 4.25Å; A16-K112 WeakPolarHBondContact O-CD 3.48Å; A16-K112 WeakPolarHBondContact O-CE 3.5Å; A16-K112 PolarHBondContact O-NZ 3.01Å; A16-V116 HydrophobicContact CB-CG2 3.96Å
17V98.7Very high96.7Very high0 Ų046.4 Ų46.40%024%0.239CC..Hα-helixtrans-63.9-30.4179.3166.20000111.9L13 R14 E15 I19 L96 K112L13-V17 HydrophobicContact CD1-CG2 4.16Å; L13-V17 HydrophobicContact CG-CG2 4.42Å; L13-V17 WeakPolarHBondContact O-CB 3.46Å; L13-V17 WeakPolarHBondContact O-CG2 3.29Å; L13-V17 PolarHBondContact O-N 3.14Å; R14-V17 PolarHBondContact O-N 3.36Å; E15-V17 PolarHBondContact O-N 2.89Å; V17-I19 PolarHBondContact O-N 3.11Å; V17-L96 HydrophobicContact CB-CB 4.29Å; V17-L96 HydrophobicContact CB-CD1 4.27Å; V17-L96 HydrophobicContact CG1-CB 4.08Å; V17-L96 HydrophobicContact CG2-CD1 3.93Å; V17-K112 HydrophobicContact CG2-CD 4.31Å
18S98.5Very high96.4Very high53 Ų5344.3 Ų44.337%0.37122%0.22SC..Hα-helixtrans-67.3-20.1177.380.60000114.8R14 E15 A16 Q20 F94R14-S18 PolarHBondContact O-N 3.48Å; E15-S18 WeakPolarHBondContact O-CB 3.13Å; E15-S18 PolarHBondContact O-N 3.27Å; E15-S18 PolarHBondContact O-OG 3.24Å; A16-S18 PolarHBondContact O-N 3.23Å; S18-Q20 PolarHBondContact O-N 3.4Å; S18-F94 WeakPolarHBondContact CA-O 3.47Å
19I98.4Very high96Very high2 Ų243 Ų431%0.0121%0.213CC..SBendtrans-81116176.3-56.7169.8000108.2A16 V17 S21 E31 R34 M35 W38 K112A16-I19 PolarHBondContact O-N 3.11Å; V17-I19 PolarHBondContact O-N 3.11Å; I19-S21 PolarHBondContact O-N 3.3Å; I19-E31 HydrophobicContact CG2-CB 4.29Å; I19-E31 WeakPolarHBondContact CG2-O 3.25Å; I19-R34 HydrophobicContact CG2-CB 4.31Å; I19-R34 HydrophobicContact CG2-CG 4.28Å; I19-M35 HydrophobicContact CB-SD 4.02Å; I19-M35 HydrophobicContact CD1-SD 3.75Å; I19-M35 HydrophobicContact CG1-SD 4.43Å; I19-M35 HydrophobicContact CG2-CB 3.9Å; I19-M35 HydrophobicContact CG2-SD 4.28Å; I19-W38 HydrophobicContact CD1-CB 3.75Å; I19-W38 HydrophobicContact CD1-CD2 4.28Å; I19-W38 HydrophobicContact CD1-CG 3.73Å; I19-K112 PolarHBondContact O-NZ 3.08Å
20Q98Very high95.8Very high53 Ų5346.6 Ų46.625%0.24824%0.239CC..  trans-83.360.1-173-59.2-1744.200111.5S18 V22 K28 E31 F94S18-Q20 PolarHBondContact O-N 3.4Å; Q20-V22 PolarHBondContact O-N 3.37Å; Q20-K28 HydrophobicContact CB-CD 4.43Å; Q20-E31 HydrophobicContact CB-CG 4.38Å; Q20-E31 PolarHBondContact N-OE2 2.99Å; Q20-E31 VanDerWaalsContact O-CB 3.26Å; Q20-E31 WeakPolarHBondContact O-CB 3.42Å; Q20-F94 HydrophobicContact CB-CD1 4.33Å; Q20-F94 HydrophobicContact CB-CE1 4.3Å; Q20-F94 HydrophobicContact CG-CB 4.02Å; Q20-F94 HydrophobicContact CG-CD1 3.82Å; Q20-F94 HydrophobicContact CG-CD2 3.88Å; Q20-F94 HydrophobicContact CG-CE1 4.23Å; Q20-F94 HydrophobicContact CG-CE2 4.29Å; Q20-F94 HydrophobicContact CG-CG 3.63Å; Q20-F94 HydrophobicContact CG-CZ 4.46Å
21S97.8Very high95.8Very high0 Ų047.8 Ų47.80%024%0.244CC..  trans-70.655.3-179.749.30000112.6I19 S23 L32 L78 D79 V80 K112I19-S21 PolarHBondContact O-N 3.3Å; S21-S23 PolarHBondContact O-N 3.08Å; S21-L32 WeakPolarHBondContact O-CD2 3.47Å; S21-L78 WeakPolarHBondContact CB-O 3.33Å; S21-L78 PolarHBondContact OG-O 3.3Å; S21-D79 CarbonylContact O-C 3.59Å; S21-D79 WeakPolarHBondContact O-CA 3.44Å; S21-D79 WeakPolarHBondContact O-CB 3.49Å; S21-V80 PolarHBondContact O-N 2.81Å; S21-K112 VanDerWaalsContact OG-CE 3.22Å; S21-K112 WeakPolarHBondContact OG-CE 3.49Å; S21-K112 PolarHBondContact OG-NZ 2.75Å; S21-K112 VanDerWaalsContact OG-NZ 3.11Å
22V97.5Very high95.6Very high0 Ų043.6 Ų43.60%022%0.224CC..BIsolated β-bridgetrans-87.7106.9-178.1-177.80000110.2Q20 A24 W25 V80 P82 F94Q20-V22 PolarHBondContact O-N 3.37Å; V22-A24 VanDerWaalsContact C-N 3.33Å; V22-A24 HydrophobicContact CG1-CB 4.44Å; V22-A24 PolarHBondContact O-N 2.91Å; V22-W25 HydrophobicContact CB-CB 4.08Å; V22-W25 HydrophobicContact CB-CD2 3.89Å; V22-W25 HydrophobicContact CB-CE3 3.62Å; V22-W25 HydrophobicContact CB-CG 4.09Å; V22-W25 HydrophobicContact CB-CZ3 4.35Å; V22-W25 HydrophobicContact CG1-CB 3.91Å; V22-W25 HydrophobicContact CG1-CD2 3.56Å; V22-W25 HydrophobicContact CG1-CE3 3.81Å; V22-W25 HydrophobicContact CG1-CG 3.58Å; V22-W25 HydrophobicContact CG2-CD2 4.22Å; V22-W25 HydrophobicContact CG2-CE3 3.58Å; V22-W25 HydrophobicContact CG2-CZ3 3.8Å; V22-W25 PolarHBondContact O-N 2.91Å; V22-W25 VanDerWaalsContact O-N 3.15Å; V22-V80 WeakPolarHBondContact CA-O 3.45Å; V22-V80 HydrophobicContact CG2-CG2 3.98Å; V22-P82 HydrophobicContact CG1-CB 4.21Å; V22-P82 HydrophobicContact CG1-CG 3.74Å; V22-F94 HydrophobicContact CG2-CE1 4.03Å; V22-F94 HydrophobicContact CG2-CZ 3.56Å
23S94.8Very high95.4Very high7 Ų743.9 Ų43.95%0.04923%0.229CC..THydrogen-bonded Turntrans-66-33.4-175.852.30000113S21 W25 D79 S146S21-S23 PolarHBondContact O-N 3.08Å; S23-W25 PolarHBondContact O-N 3.48Å; S23-D79 WeakPolarHBondContact CB-OD2 3.49Å; S23-D79 PolarHBondContact OG-OD2 3.08Å; S23-S146 VanDerWaalsContact CB-OG 3.23Å; S23-S146 WeakPolarHBondContact CB-OG 3.35Å; S23-S146 PolarHBondContact OG-OG 3.3Å
24A92.2Very high95.2Very high54 Ų5449.3 Ų49.345%0.44625%0.249SC..THydrogen-bonded Turntrans-69.4-17175.600000114V22 P82 S146V22-A24 VanDerWaalsContact C-N 3.33Å; V22-A24 HydrophobicContact CG1-CB 4.44Å; V22-A24 PolarHBondContact O-N 2.91Å; A24-P82 HydrophobicContact CB-CG 3.85Å; A24-S146 PolarHBondContact N-OG 3.46Å
25W93.6Very high95.1Very high49 Ų4946.1 Ų46.119%0.18624%0.237CC..  trans-98.292.7179.9-71.4-9.3000110.8V22 S23 H27 K28 P82 A83 L84 F94V22-W25 HydrophobicContact CB-CB 4.08Å; V22-W25 HydrophobicContact CB-CD2 3.89Å; V22-W25 HydrophobicContact CB-CE3 3.62Å; V22-W25 HydrophobicContact CB-CG 4.09Å; V22-W25 HydrophobicContact CB-CZ3 4.35Å; V22-W25 HydrophobicContact CG1-CB 3.91Å; V22-W25 HydrophobicContact CG1-CD2 3.56Å; V22-W25 HydrophobicContact CG1-CE3 3.81Å; V22-W25 HydrophobicContact CG1-CG 3.58Å; V22-W25 HydrophobicContact CG2-CD2 4.22Å; V22-W25 HydrophobicContact CG2-CE3 3.58Å; V22-W25 HydrophobicContact CG2-CZ3 3.8Å; V22-W25 PolarHBondContact O-N 2.91Å; V22-W25 VanDerWaalsContact O-N 3.15Å; S23-W25 PolarHBondContact O-N 3.48Å; W25-H27 AromaticContact CG-CE1 3.83Å; W25-H27 PolarHBondContact O-N 3.36Å; W25-K28 HydrophobicContact CB-CB 4.06Å; W25-K28 HydrophobicContact CB-CG 4.03Å; W25-K28 HydrophobicContact CE3-CG 4.01Å; W25-K28 WeakPolarHBondContact O-CA 3.21Å; W25-K28 WeakPolarHBondContact O-CB 3.3Å; W25-K28 PolarHBondContact O-N 3.44Å; W25-P82 HydrophobicContact CZ2-CB 3.74Å; W25-A83 WeakPolarHBondContact CH2-O 3.38Å; W25-L84 HydrophobicContact CH2-CD2 3.7Å; W25-L84 HydrophobicContact CH2-CG 4.29Å; W25-L84 HydrophobicContact CZ2-CD2 3.88Å; W25-L84 HydrophobicContact CZ2-CG 4.1Å; W25-F94 HydrophobicContact CH2-CE2 4.2Å; W25-F94 HydrophobicContact CZ3-CE2 4.02Å; W25-F94 HydrophobicContact CZ3-CZ 4.22Å
26Q87.6Confident94.9Very high149 Ų14941.6 Ų41.670%0.69622%0.216SC*.G310 helixtrans-50.9-36.4-179.6-67.4-178.4-14.600114.1K28 S29Q26-K28 PolarHBondContact O-N 3.03Å; Q26-S29 WeakPolarHBondContact O-CB 3.41Å; Q26-S29 PolarHBondContact O-N 3.42Å; Q26-S29 PolarHBondContact O-OG 3.15Å; Q26-S29 VanDerWaalsContact O-OG 3.04Å
27H90.7Very high94.6Very high143 Ų14347.8 Ų47.866%0.66225%0.245SC*.G310 helixtrans-71.6-3.7178.270-83.3000114.3W25W25-H27 AromaticContact CG-CE1 3.83Å; W25-H27 PolarHBondContact O-N 3.36Å
28K91.7Very high94.4Very high52 Ų5251 Ų5123%0.22626%0.257CS..G310 helixtrans-112.912.9176.3-66.1-75.8-177.4163.10113Q20 W25 Q26 S30 E31 L32Q20-K28 HydrophobicContact CB-CD 4.43Å; W25-K28 HydrophobicContact CB-CB 4.06Å; W25-K28 HydrophobicContact CB-CG 4.03Å; W25-K28 HydrophobicContact CE3-CG 4.01Å; W25-K28 WeakPolarHBondContact O-CA 3.21Å; W25-K28 WeakPolarHBondContact O-CB 3.3Å; W25-K28 PolarHBondContact O-N 3.44Å; Q26-K28 PolarHBondContact O-N 3.03Å; K28-S30 PolarHBondContact O-N 3.41Å; K28-S30 VanDerWaalsContact O-N 3.1Å; K28-E31 HydrophobicContact CD-CG 4.26Å; K28-E31 WeakPolarHBondContact O-CA 3.49Å; K28-E31 WeakPolarHBondContact O-CB 3.34Å; K28-E31 PolarHBondContact O-N 3.13Å; K28-L32 PolarHBondContact O-N 2.88Å
29S90.4Very high94.2Very high37 Ų3748.5 Ų48.526%0.25924%0.24SC..Hα-helixtrans-51.4-34.1176.446.60000114.1Q26 E31 L32 I33Q26-S29 WeakPolarHBondContact O-CB 3.41Å; Q26-S29 PolarHBondContact O-N 3.42Å; Q26-S29 PolarHBondContact O-OG 3.15Å; Q26-S29 VanDerWaalsContact O-OG 3.04Å; S29-E31 VanDerWaalsContact C-N 3.28Å; S29-E31 PolarHBondContact O-N 2.84Å; S29-L32 WeakPolarHBondContact O-CB 3.28Å; S29-L32 PolarHBondContact O-N 3.15Å; S29-I33 PolarHBondContact O-N 3.42Å
30S94.1Very high93.5Very high77 Ų7752.7 Ų52.754%0.53827%0.267SS..Hα-helixtrans-64.2-29.4174.560.90000113.8K28 I33 R34K28-S30 PolarHBondContact O-N 3.41Å; K28-S30 VanDerWaalsContact O-N 3.1Å; S30-I33 PolarHBondContact O-N 3.23Å; S30-R34 WeakPolarHBondContact O-CB 3.15Å; S30-R34 PolarHBondContact O-N 3.48Å
31E96.6Very high92.1Very high32 Ų3252 Ų5215%0.1527%0.271CS..Hα-helixtrans-75.7-28.3177.2-68.6-76.7103.900111.8I19 Q20 K28 S29 R34 M35I19-E31 HydrophobicContact CG2-CB 4.29Å; I19-E31 WeakPolarHBondContact CG2-O 3.25Å; Q20-E31 HydrophobicContact CB-CG 4.38Å; Q20-E31 PolarHBondContact N-OE2 2.99Å; Q20-E31 VanDerWaalsContact O-CB 3.26Å; Q20-E31 WeakPolarHBondContact O-CB 3.42Å; K28-E31 HydrophobicContact CD-CG 4.26Å; K28-E31 WeakPolarHBondContact O-CA 3.49Å; K28-E31 WeakPolarHBondContact O-CB 3.34Å; K28-E31 PolarHBondContact O-N 3.13Å; S29-E31 VanDerWaalsContact C-N 3.28Å; S29-E31 PolarHBondContact O-N 2.84Å; E31-R34 PolarHBondContact O-N 3.12Å; E31-R34 VanDerWaalsContact OE1-CD 3.24Å; E31-R34 WeakPolarHBondContact OE1-CD 3.35Å; E31-R34 IonicContact OE1-CZ 2.71Å; E31-R34 IonicContact OE1-NH1 2.86Å; E31-R34 PolarHBondContact OE1-NH1 3.42Å; E31-R34 IonicContact OE2-NH1 3.27Å; E31-R34 PolarHBondContact OE2-NH1 2.79Å; E31-M35 WeakPolarHBondContact O-CB 3.4Å; E31-M35 PolarHBondContact O-N 3.14Å
32L94.8Very high90.2Very high1 Ų157.4 Ų57.41%0.00530%0.303CS..Hα-helixtrans-60.9-49.4169.4-61166.4000110.1S21 K28 S29 R34 M35 V36 F53 P56 D79S21-L32 WeakPolarHBondContact O-CD2 3.47Å; K28-L32 PolarHBondContact O-N 2.88Å; S29-L32 WeakPolarHBondContact O-CB 3.28Å; S29-L32 PolarHBondContact O-N 3.15Å; L32-R34 PolarHBondContact O-N 3.41Å; L32-M35 PolarHBondContact O-N 3.29Å; L32-V36 WeakPolarHBondContact O-CG2 3.48Å; L32-V36 PolarHBondContact O-N 3.21Å; L32-V36 VanDerWaalsContact O-N 3.12Å; L32-F53 HydrophobicContact CD1-CZ 4.43Å; L32-P56 HydrophobicContact CB-CB 3.87Å; L32-P56 HydrophobicContact CB-CG 4.41Å; L32-P56 HydrophobicContact CD1-CB 4.45Å; L32-P56 HydrophobicContact CD1-CG 4.17Å; L32-D79 HydrophobicContact CD2-CB 3.69Å
33I93.1Very high88.3Confident51 Ų5163.1 Ų63.126%0.26233%0.33SS..Hα-helixtrans-60.7-46.3177.2-60.7171.1000110.3S29 S30 M35 V36 E37 V54S29-I33 PolarHBondContact O-N 3.42Å; S30-I33 PolarHBondContact O-N 3.23Å; I33-M35 VanDerWaalsContact C-N 3.27Å; I33-M35 PolarHBondContact O-N 2.93Å; I33-V36 PolarHBondContact O-N 3.32Å; I33-E37 HydrophobicContact CG2-CG 4.34Å; I33-E37 WeakPolarHBondContact O-CB 3.44Å; I33-E37 WeakPolarHBondContact O-CG 3.34Å; I33-E37 PolarHBondContact O-N 3.11Å; I33-V54 HydrophobicContact CD1-CG1 4.19Å
34R95Very high86.7Confident113 Ų11366.5 Ų66.543%0.42634%0.344SS..Hα-helixtrans-58.3-37.7177.3-176.7-178.2168.4-150.7-7.4112.4I19 S30 E31 L32 E37 W38I19-R34 HydrophobicContact CG2-CB 4.31Å; I19-R34 HydrophobicContact CG2-CG 4.28Å; S30-R34 WeakPolarHBondContact O-CB 3.15Å; S30-R34 PolarHBondContact O-N 3.48Å; E31-R34 PolarHBondContact O-N 3.12Å; E31-R34 VanDerWaalsContact OE1-CD 3.24Å; E31-R34 WeakPolarHBondContact OE1-CD 3.35Å; E31-R34 IonicContact OE1-CZ 2.71Å; E31-R34 IonicContact OE1-NH1 2.86Å; E31-R34 PolarHBondContact OE1-NH1 3.42Å; E31-R34 IonicContact OE2-NH1 3.27Å; E31-R34 PolarHBondContact OE2-NH1 2.79Å; L32-R34 PolarHBondContact O-N 3.41Å; R34-E37 PolarHBondContact O-N 3.35Å; R34-W38 WeakPolarHBondContact O-CB 3.49Å; R34-W38 PolarHBondContact O-N 2.67Å
35M96.7Very high85.1Confident0 Ų065.3 Ų65.30%033%0.332CS..Hα-helixtrans-66.9-43.9177.1-170.964.7-156.900111.4A16 I19 E31 L32 I33 E37 W38 T39 L78 K112A16-M35 HydrophobicContact CB-CE 3.96Å; I19-M35 HydrophobicContact CB-SD 4.02Å; I19-M35 HydrophobicContact CD1-SD 3.75Å; I19-M35 HydrophobicContact CG1-SD 4.43Å; I19-M35 HydrophobicContact CG2-CB 3.9Å; I19-M35 HydrophobicContact CG2-SD 4.28Å; E31-M35 WeakPolarHBondContact O-CB 3.4Å; E31-M35 PolarHBondContact O-N 3.14Å; L32-M35 PolarHBondContact O-N 3.29Å; I33-M35 VanDerWaalsContact C-N 3.27Å; I33-M35 PolarHBondContact O-N 2.93Å; M35-E37 VanDerWaalsContact C-N 3.26Å; M35-E37 PolarHBondContact O-N 3.22Å; M35-W38 HydrophobicContact CE-CE3 3.58Å; M35-W38 HydrophobicContact CE-CZ3 3.72Å; M35-W38 PolarHBondContact O-N 3.26Å; M35-W38 HydrophobicContact SD-CE3 4.24Å; M35-T39 PolarHBondContact O-N 3.35Å; M35-T39 PolarHBondContact O-OG1 3.44Å; M35-T39 VanDerWaalsContact O-OG1 3.09Å; M35-L78 HydrophobicContact CE-CD2 3.95Å; M35-L78 HydrophobicContact CG-CB 3.79Å; M35-L78 HydrophobicContact CG-CD2 4.38Å; M35-L78 HydrophobicContact CG-CG 4.49Å; M35-K112 HydrophobicContact CE-CD 4.31Å; M35-K112 HydrophobicContact CE-CG 4.29Å
36V94.3Very high83.3Confident0 Ų070.2 Ų70.20%036%0.357CS..Hα-helixtrans-63.4-34.7172.8-177.20000111.5L32 I33 K44 P57 L59 L78 S142L32-V36 WeakPolarHBondContact O-CG2 3.48Å; L32-V36 PolarHBondContact O-N 3.21Å; L32-V36 VanDerWaalsContact O-N 3.12Å; I33-V36 PolarHBondContact O-N 3.32Å; V36-K44 HydrophobicContact CG1-CD 4.21Å; V36-K44 HydrophobicContact CG1-CG 4.39Å; V36-K44 WeakPolarHBondContact O-CE 3.44Å; V36-K44 PolarHBondContact O-NZ 3.47Å; V36-P57 HydrophobicContact CB-CG 4.03Å; V36-P57 HydrophobicContact CG1-CB 4.44Å; V36-P57 HydrophobicContact CG1-CG 3.8Å; V36-P57 HydrophobicContact CG2-CG 4.14Å; V36-L59 HydrophobicContact CG1-CB 4.21Å; V36-L59 HydrophobicContact CG1-CD1 4.29Å; V36-L78 HydrophobicContact CB-CD1 4.4Å; V36-L78 HydrophobicContact CG2-CD1 3.9Å; V36-S142 WeakPolarHBondContact CG2-OG 3.47Å
37E92.9Very high81.7Confident131 Ų13163.7 Ų63.761%0.61233%0.327SS*.Hα-helixtrans-66.7-41175.1-75.7-177.9166.500113.5I33 R34 M35 T39 K44I33-E37 HydrophobicContact CG2-CG 4.34Å; I33-E37 WeakPolarHBondContact O-CB 3.44Å; I33-E37 WeakPolarHBondContact O-CG 3.34Å; I33-E37 PolarHBondContact O-N 3.11Å; R34-E37 PolarHBondContact O-N 3.35Å; M35-E37 VanDerWaalsContact C-N 3.26Å; M35-E37 PolarHBondContact O-N 3.22Å; E37-T39 VanDerWaalsContact C-N 3.34Å; E37-K44 VanDerWaalsContact CA-NZ 3.33Å; E37-K44 PolarHBondContact O-NZ 2.66Å
38W94.7Very high79.7Confident67 Ų6766.4 Ų66.425%0.25433%0.331SS..Hα-helixtrans-66.1-35.1176.2179.490.2000112.2R12 E15 A16 I19 R34 M35 P40 V116 I119R12-W38 HydrophobicContact CG-CH2 3.84Å; R12-W38 HydrophobicContact CG-CZ2 3.78Å; R12-W38 WeakPolarHBondContact O-CZ2 3.3Å; E15-W38 HydrophobicContact CB-CZ2 4.31Å; A16-W38 HydrophobicContact CB-CE3 4.48Å; A16-W38 HydrophobicContact CB-CH2 3.58Å; A16-W38 HydrophobicContact CB-CZ2 4.04Å; A16-W38 HydrophobicContact CB-CZ3 3.83Å; I19-W38 HydrophobicContact CD1-CB 3.75Å; I19-W38 HydrophobicContact CD1-CD2 4.28Å; I19-W38 HydrophobicContact CD1-CG 3.73Å; R34-W38 WeakPolarHBondContact O-CB 3.49Å; R34-W38 PolarHBondContact O-N 2.67Å; M35-W38 HydrophobicContact CE-CE3 3.58Å; M35-W38 HydrophobicContact CE-CZ3 3.72Å; M35-W38 PolarHBondContact O-N 3.26Å; M35-W38 HydrophobicContact SD-CE3 4.24Å; W38-P40 WeakPolarHBondContact O-CD 3.16Å; W38-V116 HydrophobicContact CH2-CG2 3.69Å; W38-V116 HydrophobicContact CZ3-CG2 3.9Å; W38-I119 HydrophobicContact CZ3-CD1 4.28Å
39T92.6Very high77.4Confident1 Ų169.3 Ų69.31%0.00635%0.349CS..SBendtrans-68.9123.4176.9-56.40000111.4M35 E37 A41 L59 I119 F140M35-T39 PolarHBondContact O-N 3.35Å; M35-T39 PolarHBondContact O-OG1 3.44Å; M35-T39 VanDerWaalsContact O-OG1 3.09Å; E37-T39 VanDerWaalsContact C-N 3.34Å; T39-A41 PolarHBondContact O-N 3.25Å; T39-L59 HydrophobicContact CG2-CD1 3.54Å; T39-I119 HydrophobicContact CG2-CD1 4.27Å; T39-F140 HydrophobicContact CG2-CD2 4.03Å; T39-F140 HydrophobicContact CG2-CE2 4.18Å
40P84.2Confident75.2Confident89 Ų8970.3 Ų70.358%0.57836%0.356SS*.  trans-64.7125.1178.3-20.432.5000111.9W38 I119W38-P40 WeakPolarHBondContact O-CD 3.16Å; P40-I119 HydrophobicContact CG-CG2 4.4Å
41A68.3Low72.8Confident40 Ų4072 Ų7233%0.33137%0.368SS..  trans-154.1157.1175.400000113T39 L59 A61T39-A41 PolarHBondContact O-N 3.25Å; A41-L59 HydrophobicContact CB-CD1 3.59Å; A41-L59 HydrophobicContact CB-CD2 3.71Å; A41-L59 HydrophobicContact CB-CG 3.49Å; A41-L59 VanDerWaalsContact CB-CG 3.49Å; A41-A61 HydrophobicContact CB-CB 4.2Å
42T58Low70.7Confident112 Ų11276.7 Ų76.769%0.68740%0.404SS*.SBendtrans-81.4-33.717648.30000112.9
43E59Low69.1Low121 Ų12178.6 Ų78.657%0.56541%0.412SS*.EExtended strand (participates in β ladder)trans-140.6147.8-177.3-166.8175.7165.200111.3F60E43-F60 CarbonylContact C-O 3.49Å; E43-F60 PolarHBondContact O-N 2.89Å
44K59.5Low67.7Low77 Ų7780.2 Ų80.234%0.33543%0.425SS..EExtended strand (participates in β ladder)trans-134.6121178.1-68.5173177.7170.60108.2V36 E37V36-K44 HydrophobicContact CG1-CD 4.21Å; V36-K44 HydrophobicContact CG1-CG 4.39Å; V36-K44 WeakPolarHBondContact O-CE 3.44Å; V36-K44 PolarHBondContact O-NZ 3.47Å; E37-K44 VanDerWaalsContact CA-NZ 3.33Å; E37-K44 PolarHBondContact O-NZ 2.66Å
45S60.2Low66.7Low29 Ų2975.3 Ų75.320%0.20341%0.408CS..EExtended strand (participates in β ladder)trans-104.7139.7179.269.90000110.1P57 I58 F60S45-P57 CarbonylContact O-C 3.54Å; S45-P57 WeakPolarHBondContact O-CA 3.43Å; S45-P57 WeakPolarHBondContact O-CB 3.44Å; S45-I58 PolarHBondContact N-O 2.83Å; S45-I58 PolarHBondContact O-N 3.2Å; S45-I58 PolarHBondContact OG-O 3.02Å; S45-F60 VanDerWaalsContact OG-CD2 3.29Å; S45-F60 WeakPolarHBondContact OG-CD2 3.39Å; S45-F60 WeakPolarHBondContact OG-CE2 3.03Å
46H55.1Low66Low152 Ų15275.4 Ų75.470%0.70441%0.408SS*.PPolyproline II helixtrans-89132.1177.6-65.971.6000109.4
47Q54.1Low65.7Low13 Ų1375.8 Ų75.86%0.06141%0.411CS..PPolyproline II helixtrans-64.4145.9166.9-84.4173.7-27.100109.6D49 C55 P56 I58 Q149Q47-D49 PolarHBondContact O-N 3.19Å; Q47-C55 HydrophobicContact CB-CB 3.64Å; Q47-C55 VanDerWaalsContact CB-SG 3.55Å; Q47-C55 PolarHBondContact OE1-SG 3.37Å; Q47-P56 PolarHBondContact OE1-O 2.67Å; Q47-I58 HydrophobicContact CG-CD1 3.47Å; Q47-I58 VanDerWaalsContact CG-CD1 3.47Å; Q47-I58 HydrophobicContact CG-CG1 3.77Å; Q47-Q149 PolarHBondContact NE2-O 3.25Å
48R48.2Very low65.6Low199 Ų19969.6 Ų69.675%0.75138%0.382SS*.PPolyproline II helixtrans-63.3125179.2-71.6-173.1-167.1151.917.8109.3S50 E157R48-S50 PolarHBondContact O-N 3.38Å; R48-E157 IonicContact CZ-OE1 3.63Å; R48-E157 IonicContact NH2-OE1 3.45Å; R48-E157 PolarHBondContact NH2-OE1 3.13Å; R48-E157 IonicContact NH2-OE2 3.92Å
49D43.7Very low65.6Low114 Ų11466.5 Ų66.561%0.6137%0.37SS*.PPolyproline II helixtrans-58.6117.6179.9-165.6-6.3000110.7Q47Q47-D49 PolarHBondContact O-N 3.19Å
50S44.1Very low65.6Low57 Ų5766.6 Ų66.640%0.39937%0.371SS..BIsolated β-bridgetrans-95.3118.8163.268.10000107.8R48 S52 F53R48-S50 PolarHBondContact O-N 3.38Å; S50-S52 PolarHBondContact O-N 3.23Å; S50-F53 PolarHBondContact O-N 2.79Å
51S44.1Very low66.1Low112 Ų11262.9 Ų62.978%0.78335%0.347SS*.THydrogen-bonded Turntrans-36.7122.1-166.5550000115.1
52S52.8Low67.3Low131 Ų13163.5 Ų63.592%0.91635%0.345SS*.THydrogen-bonded Turntrans93.8-17177.775.90000117.6S50S50-S52 PolarHBondContact O-N 3.23Å
53F59.8Low69.1Low41 Ų4161.5 Ų61.518%0.1833%0.33CS..BIsolated β-bridgetrans-114.9113.4177-177.1-102.2000110.3L32 S50 C55 L143L32-F53 HydrophobicContact CD1-CZ 4.43Å; S50-F53 PolarHBondContact O-N 2.79Å; F53-C55 PolarHBondContact O-N 3.11Å; F53-L143 HydrophobicContact CE1-CD2 4.14Å; F53-L143 HydrophobicContact CZ-CD2 4.16Å
54V64.2Low70.6Confident85 Ų8557.9 Ų57.952%0.51533%0.325SS..  trans-68.9100.3171.1-178.30000107.7I33I33-V54 HydrophobicContact CD1-CG1 4.19Å
55C73.3Confident72.3Confident11 Ų1160.5 Ų60.57%0.07435%0.348CS..PPolyproline II helixtrans-62.4126.4179.1-143.20000109.2Q47 F53Q47-C55 HydrophobicContact CB-CB 3.64Å; Q47-C55 VanDerWaalsContact CB-SG 3.55Å; Q47-C55 PolarHBondContact OE1-SG 3.37Å; F53-C55 PolarHBondContact O-N 3.11Å
56P83.4Confident74Confident1 Ų162.1 Ų62.11%0.00635%0.354CS..PPolyproline II helixtrans-62.6149.6-178.627.9-35000110.7L32 Q47 L143L32-P56 HydrophobicContact CB-CB 3.87Å; L32-P56 HydrophobicContact CB-CG 4.41Å; L32-P56 HydrophobicContact CD1-CB 4.45Å; L32-P56 HydrophobicContact CD1-CG 4.17Å; Q47-P56 PolarHBondContact OE1-O 2.67Å; P56-L143 HydrophobicContact CG-CD1 4.32Å; P56-L143 HydrophobicContact CG-CD2 3.96Å; P56-L143 HydrophobicContact CG-CG 3.79Å
57P87.5Confident75.9Confident9 Ų959.9 Ų59.96%0.05836%0.362CS..PPolyproline II helixtrans-67.9142.9179.524.1-29.3000111.6V36 S45V36-P57 HydrophobicContact CB-CG 4.03Å; V36-P57 HydrophobicContact CG1-CB 4.44Å; V36-P57 HydrophobicContact CG1-CG 3.8Å; V36-P57 HydrophobicContact CG2-CG 4.14Å; S45-P57 CarbonylContact O-C 3.54Å; S45-P57 WeakPolarHBondContact O-CA 3.43Å; S45-P57 WeakPolarHBondContact O-CB 3.44Å
58I91.7Very high78Confident1 Ų168.6 Ų68.61%0.00540%0.399CS..EExtended strand (participates in β ladder)trans-84.3128.3164.9-59.5155.4000107.5S45 Q47 F60 V139 F151 V154S45-I58 PolarHBondContact N-O 2.83Å; S45-I58 PolarHBondContact O-N 3.2Å; S45-I58 PolarHBondContact OG-O 3.02Å; Q47-I58 HydrophobicContact CG-CD1 3.47Å; Q47-I58 VanDerWaalsContact CG-CD1 3.47Å; Q47-I58 HydrophobicContact CG-CG1 3.77Å; I58-F60 HydrophobicContact CB-CD2 4.41Å; I58-F60 HydrophobicContact CB-CE2 3.74Å; I58-F60 HydrophobicContact CB-CZ 4.35Å; I58-F60 HydrophobicContact CG2-CD2 3.95Å; I58-F60 HydrophobicContact CG2-CE1 4.36Å; I58-F60 HydrophobicContact CG2-CE2 3.28Å; I58-F60 HydrophobicContact CG2-CZ 3.52Å; I58-V139 HydrophobicContact CG2-CG2 3.87Å; I58-F151 HydrophobicContact CD1-CD2 3.66Å; I58-F151 HydrophobicContact CD1-CE2 4.25Å; I58-F151 HydrophobicContact CG1-CD2 4Å; I58-F151 HydrophobicContact CG1-CE2 4.36Å; I58-F151 HydrophobicContact CG2-CD2 4.25Å; I58-F151 HydrophobicContact CG2-CE2 3.77Å; I58-V154 HydrophobicContact CD1-CB 3.87Å; I58-V154 HydrophobicContact CD1-CG1 3.85Å; I58-V154 HydrophobicContact CD1-CG2 3.81Å
59L92.8Very high80.3Confident1 Ų161.2 Ų61.21%0.00537%0.373CS..EExtended strand (participates in β ladder)trans-85.4125.8177.8-177.4157.6000109.5V36 T39 A41 A61 V139 F140V36-L59 HydrophobicContact CG1-CB 4.21Å; V36-L59 HydrophobicContact CG1-CD1 4.29Å; T39-L59 HydrophobicContact CG2-CD1 3.54Å; A41-L59 HydrophobicContact CB-CD1 3.59Å; A41-L59 HydrophobicContact CB-CD2 3.71Å; A41-L59 HydrophobicContact CB-CG 3.49Å; A41-L59 VanDerWaalsContact CB-CG 3.49Å; L59-A61 HydrophobicContact CD2-CB 4.2Å; L59-V139 VanDerWaalsContact O-CA 3.29Å; L59-V139 WeakPolarHBondContact O-CA 3.43Å; L59-F140 HydrophobicContact CB-CB 4.22Å; L59-F140 HydrophobicContact CD1-CD2 4.3Å; L59-F140 HydrophobicContact CD2-CD2 3.85Å; L59-F140 HydrophobicContact CD2-CG 4.45Å; L59-F140 PolarHBondContact N-O 3.08Å; L59-F140 PolarHBondContact O-N 2.79Å
60F94.1Very high82.9Confident4 Ų459.8 Ų59.82%0.01836%0.361CS..EExtended strand (participates in β ladder)trans-120.6127.9171.4-68.9-85000108.5E43 S45 I58 F138 V139 V154 K158 W162E43-F60 CarbonylContact C-O 3.49Å; E43-F60 PolarHBondContact O-N 2.89Å; S45-F60 VanDerWaalsContact OG-CD2 3.29Å; S45-F60 WeakPolarHBondContact OG-CD2 3.39Å; S45-F60 WeakPolarHBondContact OG-CE2 3.03Å; I58-F60 HydrophobicContact CB-CD2 4.41Å; I58-F60 HydrophobicContact CB-CE2 3.74Å; I58-F60 HydrophobicContact CB-CZ 4.35Å; I58-F60 HydrophobicContact CG2-CD2 3.95Å; I58-F60 HydrophobicContact CG2-CE1 4.36Å; I58-F60 HydrophobicContact CG2-CE2 3.28Å; I58-F60 HydrophobicContact CG2-CZ 3.52Å; F60-F138 WeakPolarHBondContact CA-O 3.42Å; F60-V139 HydrophobicContact CD1-CB 4.22Å; F60-V139 HydrophobicContact CD1-CG2 3.97Å; F60-V139 HydrophobicContact CE1-CB 4.06Å; F60-V139 HydrophobicContact CE1-CG2 3.42Å; F60-V139 VanDerWaalsContact CE1-CG2 3.42Å; F60-V139 HydrophobicContact CZ-CG2 3.85Å; F60-V154 HydrophobicContact CE2-CG1 3.95Å; F60-V154 HydrophobicContact CZ-CG1 3.67Å; F60-K158 HydrophobicContact CD1-CD 3.8Å; F60-K158 HydrophobicContact CE1-CD 3.26Å; F60-K158 VanDerWaalsContact CE1-CE 3.41Å; F60-K158 HydrophobicContact CE2-CD 4.15Å; F60-K158 VanDerWaalsContact CE2-CE 3.41Å; F60-K158 HydrophobicContact CG-CD 4.46Å; F60-K158 HydrophobicContact CZ-CD 3.48Å; F60-K158 VanDerWaalsContact CZ-CD 3.48Å; F60-W162 HydrophobicContact CB-CZ2 4.27Å; F60-W162 HydrophobicContact CD1-CD2 4.25Å; F60-W162 AromaticContact CD1-CE3 3.91Å; F60-W162 HydrophobicContact CD1-CE3 3.91Å; F60-W162 AromaticContact CD1-CH2 3.61Å; F60-W162 HydrophobicContact CD1-CH2 3.61Å; F60-W162 AromaticContact CD1-CZ2 3.95Å; F60-W162 HydrophobicContact CD1-CZ2 3.95Å; F60-W162 AromaticContact CD1-CZ3 3.58Å; F60-W162 HydrophobicContact CD1-CZ3 3.58Å; F60-W162 HydrophobicContact CE1-CE3 4.16Å; F60-W162 HydrophobicContact CE1-CH2 4.32Å; F60-W162 AromaticContact CE1-CZ3 3.88Å; F60-W162 HydrophobicContact CE1-CZ3 3.88Å
61A94.2Very high85.5Confident10 Ų1057.6 Ų57.68%0.08335%0.345CS..EExtended strand (participates in β ladder)trans-138.3143175.900000111.5A41 L59 K137 F138A41-A61 HydrophobicContact CB-CB 4.2Å; L59-A61 HydrophobicContact CD2-CB 4.2Å; A61-K137 CarbonylContact O-C 3.55Å; A61-K137 VanDerWaalsContact O-CA 3.26Å; A61-K137 WeakPolarHBondContact O-CA 3.31Å; A61-F138 HydrophobicContact CB-CB 4.24Å; A61-F138 HydrophobicContact CB-CD2 4.33Å; A61-F138 PolarHBondContact N-O 2.85Å; A61-F138 PolarHBondContact O-N 2.9Å
62D94.3Very high88.1Confident54 Ų5452.2 Ų52.229%0.28931%0.308SS..EExtended strand (participates in β ladder)trans-116.7137.6172.4-62.1-101.2000108.7K137 W162D62-K137 WeakPolarHBondContact OD1-CE 3.36Å; D62-K137 WeakPolarHBondContact OD1-CG 3.19Å; D62-K137 IonicContact OD1-NZ 2.67Å; D62-K137 PolarHBondContact OD1-NZ 2.87Å; D62-W162 VanDerWaalsContact CG-NE1 3.34Å; D62-W162 PolarHBondContact OD1-NE1 3.29Å; D62-W162 PolarHBondContact OD2-NE1 3.26Å
63L94Very high90.3Very high69 Ų6946 Ų4636%0.36126%0.264SS..EExtended strand (participates in β ladder)trans-133.7104.2174.1-17665.3000109.6L122 L132 N135 L136L63-L122 HydrophobicContact CD2-CD1 4.14Å; L63-L122 HydrophobicContact CD2-CD2 3.52Å; L63-L122 HydrophobicContact CD2-CG 4.37Å; L63-L132 HydrophobicContact CD2-CD1 3.39Å; L63-L132 HydrophobicContact CG-CD1 3.93Å; L63-N135 WeakPolarHBondContact O-CA 3.44Å; L63-L136 HydrophobicContact CB-CB 4.26Å; L63-L136 HydrophobicContact CD2-CD1 4.48Å; L63-L136 PolarHBondContact N-O 2.89Å; L63-L136 PolarHBondContact O-N 2.83Å
64G92.3Very high92.1Very high45 Ų4544 Ų4446%0.46426%0.256SS..  trans88.4146.4-173.900000112.8
65T94Very high93.8Very high133 Ų13340.1 Ų40.182%0.81623%0.232SC*.  trans-138.823178.553.60000111.3A67 N135T65-A67 PolarHBondContact O-N 3.14Å; T65-A67 VanDerWaalsContact O-N 3.16Å; T65-N135 PolarHBondContact N-OD1 3.3Å
66D96.4Very high94.9Very high63 Ų6339.6 Ų39.634%0.33723%0.228SC..  trans-71.6111.1-177.3-176-7000109.9K68 K69 N135D66-K68 PolarHBondContact O-N 3.1Å; D66-K68 WeakPolarHBondContact OD1-CB 3.4Å; D66-K68 PolarHBondContact OD1-N 2.85Å; D66-K69 HydrophobicContact CB-CB 4.34Å; D66-K69 HydrophobicContact CB-CD 4.07Å; D66-K69 HydrophobicContact CB-CG 4.09Å; D66-K69 PolarHBondContact O-N 3.15Å; D66-N135 PolarHBondContact N-OD1 2.87Å; D66-N135 PolarHBondContact O-ND2 3.44Å
67A95.8Very high95.6Very high105 Ų10539.6 Ų39.687%0.86823%0.228SC*.THydrogen-bonded Turntrans-61.4-13.3-18000000114.2T65T65-A67 PolarHBondContact O-N 3.14Å; T65-A67 VanDerWaalsContact O-N 3.16Å
68K96.3Very high96.1Very high195 Ų19539.1 Ų39.185%0.84823%0.225SC*.THydrogen-bonded Turntrans-83.8-19.8174.2-62.4177.8-177.91740113D66D66-K68 PolarHBondContact O-N 3.1Å; D66-K68 WeakPolarHBondContact OD1-CB 3.4Å; D66-K68 PolarHBondContact OD1-N 2.85Å
69K98Very high96.4Very high45 Ų4539.1 Ų39.120%0.19623%0.225CC..SBendtrans-95.5149.5-178.4-66.1-177.1-172.3178.10110.7D66 E131 L132 N135D66-K69 HydrophobicContact CB-CB 4.34Å; D66-K69 HydrophobicContact CB-CD 4.07Å; D66-K69 HydrophobicContact CB-CG 4.09Å; D66-K69 PolarHBondContact O-N 3.15Å; K69-E131 WeakPolarHBondContact CE-OE1 3.48Å; K69-E131 IonicContact NZ-OE1 3.88Å; K69-E131 PolarHBondContact NZ-OE1 2.78Å; K69-L132 PolarHBondContact NZ-O 2.83Å; K69-N135 PolarHBondContact O-ND2 2.96Å
70K98.2Very high96.7Very high84 Ų8439 Ų3937%0.36523%0.225SC..  trans-66.2153168.2-64.3-58.7-172.9-178.60110.8V134 N135 D167 Y168K70-V134 HydrophobicContact CB-CG1 4.27Å; K70-V134 CarbonylContact O-C 3.58Å; K70-V134 WeakPolarHBondContact O-CA 3.48Å; K70-V134 WeakPolarHBondContact O-CB 3.3Å; K70-N135 PolarHBondContact O-N 3.03Å; K70-D167 WeakPolarHBondContact CA-OD2 3.36Å; K70-D167 HydrophobicContact CB-CB 4.44Å; K70-D167 HydrophobicContact CD-CB 4.05Å; K70-D167 VanDerWaalsContact CD-CG 3.46Å; K70-D167 WeakPolarHBondContact CD-OD1 3.36Å; K70-D167 WeakPolarHBondContact CD-OD2 3.43Å; K70-D167 IonicContact NZ-OD1 2.93Å; K70-D167 PolarHBondContact NZ-OD1 3.24Å; K70-Y168 HydrophobicContact CB-CE2 4.49Å; K70-Y168 HydrophobicContact CD-CE2 4.41Å; K70-Y168 HydrophobicContact CG-CE2 4.34Å
71T98.6Very high96.8Very high10 Ų1041.1 Ų41.16%0.06123%0.234CC..EExtended strand (participates in β ladder)trans-111.7119.5173.9-51.30000110.4N135 K137 T165 D167 Y168T71-N135 WeakPolarHBondContact CA-O 3.33Å; T71-N135 HydrophobicContact CG2-CB 4.17Å; T71-K137 HydrophobicContact CG2-CD 4.13Å; T71-K137 HydrophobicContact CG2-CG 3.85Å; T71-T165 WeakPolarHBondContact CB-O 3.39Å; T71-T165 PolarHBondContact OG1-O 3.33Å; T71-D167 PolarHBondContact N-OD2 2.63Å; T71-D167 PolarHBondContact O-N 2.9Å; T71-Y168 PolarHBondContact O-N 2.93Å
72V98.7Very high97Very high0 Ų042.6 Ų42.60%024%0.243CC..EExtended strand (participates in β ladder)trans-100.7125.1173.7179.20000109.1V74 V134 N135 L136 K137 Y168 C170 Y448 I452V72-V74 HydrophobicContact CG1-CG2 4.35Å; V72-V134 HydrophobicContact CG2-CB 4.47Å; V72-V134 HydrophobicContact CG2-CG1 4.45Å; V72-V134 HydrophobicContact CG2-CG2 4.22Å; V72-N135 PolarHBondContact N-O 3.01Å; V72-L136 HydrophobicContact CB-CD2 4.04Å; V72-L136 HydrophobicContact CG1-CD2 4.48Å; V72-L136 WeakPolarHBondContact O-CA 3.22Å; V72-K137 PolarHBondContact O-N 3.06Å; V72-Y168 WeakPolarHBondContact CA-O 3.35Å; V72-C170 HydrophobicContact CG1-CB 4.21Å; V72-Y448 HydrophobicContact CG1-CE1 4.09Å; V72-I452 HydrophobicContact CG2-CG1 4.42Å; V72-I452 HydrophobicContact CG2-CG2 3.89Å
73L98.6Very high97.2Very high0 Ų040 Ų400%023%0.23CC..EExtended strand (participates in β ladder)trans-89.5127.7169178.965.2000109.4K137 V139 W162 L163 V166 Y168 V169 C170 L406 T410L73-K137 CarbonylContact C-O 3.56Å; L73-K137 WeakPolarHBondContact CA-O 3.15Å; L73-K137 HydrophobicContact CD1-CB 3.59Å; L73-V139 HydrophobicContact CD1-CB 4.42Å; L73-V139 HydrophobicContact CD1-CG1 3.87Å; L73-V139 HydrophobicContact CD2-CG1 4.41Å; L73-V139 HydrophobicContact CG-CG1 4.3Å; L73-W162 HydrophobicContact CD1-CH2 3.68Å; L73-W162 HydrophobicContact CD1-CZ3 3.83Å; L73-L163 HydrophobicContact CD2-CD2 3.73Å; L73-V166 HydrophobicContact CB-CG1 3.68Å; L73-V166 HydrophobicContact CB-CG2 3.94Å; L73-V166 HydrophobicContact CD2-CG2 4.36Å; L73-Y168 PolarHBondContact N-O 3.14Å; L73-V169 HydrophobicContact CB-CG2 4.27Å; L73-V169 HydrophobicContact CD2-CG1 4.5Å; L73-V169 HydrophobicContact CD2-CG2 4.24Å; L73-V169 CarbonylContact O-C 3.45Å; L73-V169 WeakPolarHBondContact O-CA 3.28Å; L73-C170 PolarHBondContact O-N 3.32Å; L73-L406 HydrophobicContact CD2-CD2 3.8Å; L73-T410 HydrophobicContact CD2-CG2 4.16Å
74V98.4Very high97.4Very high0 Ų040.8 Ų40.80%023%0.234CC..EExtended strand (participates in β ladder)trans-109.1127.3175.2179.30000108.8V72 W118 L136 K137 F138 V139 F140 C170V72-V74 HydrophobicContact CG1-CG2 4.35Å; V74-W118 HydrophobicContact CG1-CD2 3.97Å; V74-W118 HydrophobicContact CG1-CG 4.01Å; V74-W118 HydrophobicContact CG1-CZ2 4.13Å; V74-W118 HydrophobicContact CG2-CD2 4.18Å; V74-W118 HydrophobicContact CG2-CE3 4.34Å; V74-W118 HydrophobicContact CG2-CH2 3.91Å; V74-W118 HydrophobicContact CG2-CZ2 3.72Å; V74-W118 HydrophobicContact CG2-CZ3 4.23Å; V74-L136 HydrophobicContact CG2-CD2 4.3Å; V74-K137 PolarHBondContact N-O 3.28Å; V74-F138 HydrophobicContact CB-CD1 3.65Å; V74-F138 HydrophobicContact CB-CE1 3.84Å; V74-F138 HydrophobicContact CG1-CD1 3.96Å; V74-F138 HydrophobicContact CG1-CE1 4.08Å; V74-F138 HydrophobicContact CG2-CD1 4.28Å; V74-F138 HydrophobicContact CG2-CE1 3.98Å; V74-F138 WeakPolarHBondContact O-CA 3.41Å; V74-V139 PolarHBondContact O-N 2.91Å; V74-F140 HydrophobicContact CG1-CE1 4.22Å; V74-C170 WeakPolarHBondContact CA-O 3.07Å
75Y98.3Very high97.6Very high3 Ų342.4 Ų42.41%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-111.5151.5169.9163.7-88000110.8V139 E141 E144 F151 C170 I171 I400 V402 L406Y75-V139 WeakPolarHBondContact CA-O 3.22Å; Y75-V139 HydrophobicContact CD2-CG1 4.25Å; Y75-V139 WeakPolarHBondContact CD2-O 3.41Å; Y75-E141 HydrophobicContact CE2-CG 4.01Å; Y75-E141 PolarHBondContact OH-OE1 3.34Å; Y75-E141 VanDerWaalsContact OH-OE1 3.12Å; Y75-E144 VanDerWaalsContact OH-CG 3.28Å; Y75-E144 WeakPolarHBondContact OH-CG 3.35Å; Y75-F151 AromaticContact CD2-CE1 3.83Å; Y75-F151 HydrophobicContact CD2-CE1 3.83Å; Y75-F151 AromaticContact CD2-CZ 3.83Å; Y75-F151 HydrophobicContact CD2-CZ 3.83Å; Y75-F151 HydrophobicContact CE2-CD1 4.45Å; Y75-F151 AromaticContact CE2-CE1 3.42Å; Y75-F151 HydrophobicContact CE2-CE1 3.42Å; Y75-F151 VanDerWaalsContact CE2-CE1 3.42Å; Y75-F151 AromaticContact CE2-CZ 3.73Å; Y75-F151 HydrophobicContact CE2-CZ 3.73Å; Y75-C170 PolarHBondContact N-O 3.21Å; Y75-I171 HydrophobicContact CD1-CD1 4Å; Y75-I171 HydrophobicContact CD1-CG1 3.98Å; Y75-I171 HydrophobicContact CD1-CG2 3.93Å; Y75-I171 HydrophobicContact CE1-CG2 4.46Å; Y75-I400 HydrophobicContact CE1-CG2 4.06Å; Y75-V402 HydrophobicContact CD1-CG1 3.92Å; Y75-V402 HydrophobicContact CD2-CG1 4.15Å; Y75-V402 HydrophobicContact CE1-CG1 3.52Å; Y75-V402 HydrophobicContact CE2-CG1 3.75Å; Y75-V402 HydrophobicContact CG-CG1 4.23Å; Y75-V402 VanDerWaalsContact CZ-CG1 3.43Å; Y75-L406 HydrophobicContact CD2-CD1 4.43Å; Y75-L406 HydrophobicContact CG-CD1 3.97Å
76G97.9Very high97.7Very high0 Ų040.9 Ų40.90%022%0.223CC..EExtended strand (participates in β ladder)trans-172.4174.7172.700000109.9D111 F140 E141G76-D111 WeakPolarHBondContact CA-OD2 3.42Å; G76-F140 VanDerWaalsContact O-CA 3.27Å; G76-F140 WeakPolarHBondContact O-CA 3.48Å; G76-E141 PolarHBondContact O-N 3.24Å
77H97.9Very high97.7Very high0 Ų041.3 Ų41.30%023%0.225CC..EExtended strand (participates in β ladder)trans-126.315717869.497.4000112.6D79 D110 D111 E141 E144 D173H77-D79 PolarHBondContact CE1-O 3.46Å; H77-D79 IonicContact CG-OD1 3.79Å; H77-D79 PolarHBondContact ND1-O 2.67Å; H77-D79 IonicContact ND1-OD1 2.9Å; H77-D79 PolarHBondContact ND1-OD1 3.39Å; H77-D110 IonicContact CE1-OD1 2.8Å; H77-D110 PolarHBondContact CE1-OD1 3.38Å; H77-D110 IonicContact NE2-OD1 3.77Å; H77-D110 PolarHBondContact NE2-OD1 3.43Å; H77-D111 VanDerWaalsContact CD2-CB 3.43Å; H77-D111 WeakPolarHBondContact CD2-CB 3.21Å; H77-D111 PolarHBondContact N-OD2 3.19Å; H77-D111 WeakPolarHBondContact NE2-CB 3.04Å; H77-E141 WeakPolarHBondContact CA-O 3.44Å; H77-E141 HydrophobicContact CB-CG 4.22Å; H77-E144 HydrophobicContact CB-CB 3.57Å; H77-E144 HydrophobicContact CB-CG 4.24Å; H77-D173 IonicContact CD2-OD1 2.64Å; H77-D173 IonicContact CD2-OD2 3.16Å; H77-D173 PolarHBondContact CD2-OD2 3.27Å; H77-D173 VanDerWaalsContact CD2-OD2 3.3Å; H77-D173 IonicContact NE2-OD1 2.79Å; H77-D173 PolarHBondContact NE2-OD1 3.37Å; H77-D173 IonicContact NE2-OD2 3.33Å
78L97.5Very high97.7Very high0 Ų038.6 Ų38.60%021%0.207CC..  trans-113.5-14.3-173.6-62.9176.1000112.8S21 M35 V36 V115 F140 E141S21-L78 WeakPolarHBondContact CB-O 3.33Å; S21-L78 PolarHBondContact OG-O 3.3Å; M35-L78 HydrophobicContact CE-CD2 3.95Å; M35-L78 HydrophobicContact CG-CB 3.79Å; M35-L78 HydrophobicContact CG-CD2 4.38Å; M35-L78 HydrophobicContact CG-CG 4.49Å; V36-L78 HydrophobicContact CB-CD1 4.4Å; V36-L78 HydrophobicContact CG2-CD1 3.9Å; L78-V115 HydrophobicContact CD2-CG1 3.83Å; L78-F140 HydrophobicContact CD1-CB 4.17Å; L78-F140 HydrophobicContact CG-CB 4.18Å; L78-E141 PolarHBondContact N-O 3.48Å
79D97.7Very high97.8Very high0 Ų029.8 Ų29.80%017%0.168CC..  trans-81.2164.1170.466.3-52.9000112.2S21 S23 L32 H77 S142 L143 E144 E145S21-D79 CarbonylContact O-C 3.59Å; S21-D79 WeakPolarHBondContact O-CA 3.44Å; S21-D79 WeakPolarHBondContact O-CB 3.49Å; S23-D79 WeakPolarHBondContact CB-OD2 3.49Å; S23-D79 PolarHBondContact OG-OD2 3.08Å; L32-D79 HydrophobicContact CD2-CB 3.69Å; H77-D79 PolarHBondContact CE1-O 3.46Å; H77-D79 IonicContact CG-OD1 3.79Å; H77-D79 PolarHBondContact ND1-O 2.67Å; H77-D79 IonicContact ND1-OD1 2.9Å; H77-D79 PolarHBondContact ND1-OD1 3.39Å; D79-S142 VanDerWaalsContact CB-O 3.31Å; D79-S142 WeakPolarHBondContact CB-O 3.28Å; D79-S142 VanDerWaalsContact OD1-CA 3.25Å; D79-S142 WeakPolarHBondContact OD1-CA 3.33Å; D79-L143 PolarHBondContact OD1-N 3.02Å; D79-L143 VanDerWaalsContact OD1-N 3.11Å; D79-L143 WeakPolarHBondContact OD2-CA 3.49Å; D79-E144 PolarHBondContact OD1-N 2.99Å; D79-E144 VanDerWaalsContact OD1-N 3.16Å; D79-E144 PolarHBondContact OD2-N 3.38Å; D79-E145 VanDerWaalsContact OD2-CB 3.28Å; D79-E145 WeakPolarHBondContact OD2-CB 3.34Å; D79-E145 PolarHBondContact OD2-N 3.17Å; D79-E145 VanDerWaalsContact OD2-N 3.12Å
80V98.6Very high97.8Very high0 Ų032.1 Ų32.10%019%0.19CC..BIsolated β-bridgetrans-142.4154.1-176.8-58.70000110.7S21 V22 F94 R106 K112S21-V80 PolarHBondContact O-N 2.81Å; V22-V80 WeakPolarHBondContact CA-O 3.45Å; V22-V80 HydrophobicContact CG2-CG2 3.98Å; V80-F94 HydrophobicContact CG2-CE1 4.04Å; V80-R106 HydrophobicContact CB-CG 4.01Å; V80-R106 HydrophobicContact CG2-CG 3.79Å; V80-K112 HydrophobicContact CG1-CD 4.17Å; V80-K112 HydrophobicContact CG1-CG 4.29Å
81Q98.1Very high97.7Very high47 Ų4729.6 Ų29.622%0.2218%0.182CC..  trans-55.1152.7169.5-77.8-57-31.700113.7R106 E145 H427Q81-R106 WeakPolarHBondContact O-CD 3.35Å; Q81-R106 WeakPolarHBondContact O-CG 3.38Å; Q81-R106 PolarHBondContact O-NE 3.37Å; Q81-R106 VanDerWaalsContact O-NE 3.17Å; Q81-E145 WeakPolarHBondContact CG-OE1 3.28Å; Q81-E145 WeakPolarHBondContact CG-OE2 3.39Å; Q81-E145 PolarHBondContact N-OE1 2.75Å; Q81-E145 PolarHBondContact NE2-OE2 2.98Å; Q81-H427 HydrophobicContact CG-CB 4.21Å; Q81-H427 WeakPolarHBondContact CG-ND1 3.31Å; Q81-H427 PolarHBondContact NE2-CE1 3.17Å; Q81-H427 PolarHBondContact NE2-ND1 3.46Å
82P97.8Very high97.7Very high41 Ų4133.1 Ų33.127%0.26620%0.198SC..  trans-52.1146.8166-27.537.5000113.2V22 A24 W25 R106V22-P82 HydrophobicContact CG1-CB 4.21Å; V22-P82 HydrophobicContact CG1-CG 3.74Å; A24-P82 HydrophobicContact CB-CG 3.85Å; W25-P82 HydrophobicContact CZ2-CB 3.74Å; P82-R106 PolarHBondContact O-NH2 3.37Å
83A98.3Very high97.7Very high1 Ų133.3 Ų33.31%0.00820%0.199CC..  trans-154.4126.1170.400000110.8W25 W89 P93 F94 R106W25-A83 WeakPolarHBondContact CH2-O 3.38Å; A83-W89 HydrophobicContact CB-CZ2 3.87Å; A83-P93 HydrophobicContact CB-CB 3.5Å; A83-P93 HydrophobicContact CB-CG 3.99Å; A83-P93 WeakPolarHBondContact O-CG 3.36Å; A83-F94 HydrophobicContact CB-CE2 4.39Å; A83-F94 HydrophobicContact CB-CZ 4.41Å; A83-F94 WeakPolarHBondContact O-CE2 3.34Å; A83-R106 HydrophobicContact CB-CB 3.92Å; A83-R106 HydrophobicContact CB-CG 4.03Å
84L97.2Very high97.7Very high85 Ų8534.1 Ų34.145%0.44520%0.203SC..  trans-120147.4172.4-60.6171.9000109.9W25 S86 D87W25-L84 HydrophobicContact CH2-CD2 3.7Å; W25-L84 HydrophobicContact CH2-CG 4.29Å; W25-L84 HydrophobicContact CZ2-CD2 3.88Å; W25-L84 HydrophobicContact CZ2-CG 4.1Å; L84-S86 WeakPolarHBondContact CB-OG 3.43Å; L84-S86 PolarHBondContact O-N 2.81Å; L84-D87 PolarHBondContact N-OD2 3.25Å; L84-D87 VanDerWaalsContact O-CB 3.31Å; L84-D87 WeakPolarHBondContact O-CB 3.43Å; L84-D87 PolarHBondContact O-N 3.2Å
85K97.6Very high97.7Very high78 Ų7840.2 Ų40.234%0.33923%0.231SC..G310 helixtrans-52.9-39.7173.8-175.465.2176.3-164.90112.2D87 G88 W89 S90 T91 E92K85-D87 PolarHBondContact O-N 3.31Å; K85-G88 PolarHBondContact O-N 3.31Å; K85-W89 HydrophobicContact CD-CB 4.22Å; K85-W89 WeakPolarHBondContact CD-O 3.49Å; K85-W89 WeakPolarHBondContact CE-O 3.33Å; K85-W89 PolarHBondContact NZ-O 3.12Å; K85-W89 VanDerWaalsContact NZ-O 3.11Å; K85-W89 PolarHBondContact O-N 3.07Å; K85-S90 PolarHBondContact NZ-O 2.86Å; K85-T91 VanDerWaalsContact CD-O 3.29Å; K85-T91 WeakPolarHBondContact CD-O 3.26Å; K85-T91 PolarHBondContact NZ-O 2.92Å; K85-E92 VanDerWaalsContact CD-OE1 3.32Å; K85-E92 WeakPolarHBondContact CD-OE1 3.39Å; K85-E92 WeakPolarHBondContact CG-OE1 3.46Å; K85-E92 IonicContact NZ-OE1 3.96Å
86S96.2Very high97.7Very high102 Ų10240.4 Ų40.471%0.71323%0.233SC*.G310 helixtrans-61.6-18178.749.80000114.6L84 G88L84-S86 WeakPolarHBondContact CB-OG 3.43Å; L84-S86 PolarHBondContact O-N 2.81Å; S86-G88 PolarHBondContact O-N 3.42Å
87D95.3Very high97.8Very high71 Ų7142.9 Ų42.938%0.3825%0.247SC..G310 helixtrans-72.8-11.8179.9-54.3-21.2000111.8L84 K85 Q429L84-D87 PolarHBondContact N-OD2 3.25Å; L84-D87 VanDerWaalsContact O-CB 3.31Å; L84-D87 WeakPolarHBondContact O-CB 3.43Å; L84-D87 PolarHBondContact O-N 3.2Å; K85-D87 PolarHBondContact O-N 3.31Å; D87-Q429 HydrophobicContact CB-CG 4.25Å; D87-Q429 WeakPolarHBondContact O-CG 3.13Å; D87-Q429 PolarHBondContact O-NE2 2.86Å
88G96.7Very high97.8Very high48 Ų4846.7 Ų46.750%0.49527%0.265SS..THydrogen-bonded Turntrans115.920.1-179.100000114.3K85 S86K85-G88 PolarHBondContact O-N 3.31Å; S86-G88 PolarHBondContact O-N 3.42Å
89W97.9Very high97.8Very high10 Ų1052.5 Ų52.54%0.03829%0.291CS..  trans-72.6136177.5-76.878.1000112.3A83 K85 T91 P93 R106 S428 Q429 E431A83-W89 HydrophobicContact CB-CZ2 3.87Å; K85-W89 HydrophobicContact CD-CB 4.22Å; K85-W89 WeakPolarHBondContact CD-O 3.49Å; K85-W89 WeakPolarHBondContact CE-O 3.33Å; K85-W89 PolarHBondContact NZ-O 3.12Å; K85-W89 VanDerWaalsContact NZ-O 3.11Å; K85-W89 PolarHBondContact O-N 3.07Å; W89-T91 VanDerWaalsContact CB-O 3.31Å; W89-T91 WeakPolarHBondContact CB-O 3.35Å; W89-P93 HydrophobicContact CD2-CB 3.81Å; W89-P93 HydrophobicContact CE3-CB 4.03Å; W89-P93 HydrophobicContact CG-CB 4.29Å; W89-P93 HydrophobicContact CH2-CB 4.28Å; W89-P93 HydrophobicContact CZ2-CB 4.09Å; W89-P93 HydrophobicContact CZ3-CB 4.25Å; W89-R106 HydrophobicContact CH2-CB 4.07Å; W89-R106 HydrophobicContact CZ2-CB 4.23Å; W89-S428 WeakPolarHBondContact CZ2-O 3.29Å; W89-Q429 HydrophobicContact CG-CB 4.41Å; W89-E431 HydrophobicContact CH2-CB 3.71Å; W89-E431 HydrophobicContact CZ2-CB 4.42Å; W89-E431 HydrophobicContact CZ3-CB 4.5Å
90S97.4Very high97.7Very high94 Ų9459.1 Ų59.166%0.65733%0.326SS*.SBendtrans-75.8-30.5177.1-56.70000112.2K85 N430K85-S90 PolarHBondContact NZ-O 2.86Å; S90-N430 VanDerWaalsContact CB-OD1 3.23Å; S90-N430 WeakPolarHBondContact CB-OD1 3.44Å; S90-N430 PolarHBondContact N-OD1 2.89Å; S90-N430 PolarHBondContact OG-OD1 2.86Å
91T97.5Very high97.6Very high31 Ų3160.8 Ų60.819%0.1934%0.343CS..SBendtrans-117.4172.5175.157.10000110.4K85 W89 V97K85-T91 VanDerWaalsContact CD-O 3.29Å; K85-T91 WeakPolarHBondContact CD-O 3.26Å; K85-T91 PolarHBondContact NZ-O 2.92Å; W89-T91 VanDerWaalsContact CB-O 3.31Å; W89-T91 WeakPolarHBondContact CB-O 3.35Å; T91-V97 HydrophobicContact CG2-CB 3.96Å; T91-V97 HydrophobicContact CG2-CG1 4.18Å; T91-V97 HydrophobicContact CG2-CG2 3.85Å
92E98.3Very high97.6Very high84 Ų8461.4 Ų61.439%0.39335%0.345SS..  trans-68.4130.6168.9-69.6-53.7130.700108.7K85 F94 E95K85-E92 VanDerWaalsContact CD-OE1 3.32Å; K85-E92 WeakPolarHBondContact CD-OE1 3.39Å; K85-E92 WeakPolarHBondContact CG-OE1 3.46Å; K85-E92 IonicContact NZ-OE1 3.96Å; E92-F94 VanDerWaalsContact C-N 3.31Å; E92-F94 PolarHBondContact O-N 2.87Å; E92-E95 HydrophobicContact CB-CB 3.97Å; E92-E95 HydrophobicContact CB-CG 3.88Å; E92-E95 PolarHBondContact O-N 3.49Å; E92-E95 VanDerWaalsContact O-O 3.12Å
93P98.5Very high97.7Very high4 Ų459.4 Ų59.43%0.02633%0.332CS..THydrogen-bonded Turntrans-64.9-32.8-169.121.1-31.3000113.6A83 W89 G105 R106A83-P93 HydrophobicContact CB-CB 3.5Å; A83-P93 HydrophobicContact CB-CG 3.99Å; A83-P93 WeakPolarHBondContact O-CG 3.36Å; W89-P93 HydrophobicContact CD2-CB 3.81Å; W89-P93 HydrophobicContact CE3-CB 4.03Å; W89-P93 HydrophobicContact CG-CB 4.29Å; W89-P93 HydrophobicContact CH2-CB 4.28Å; W89-P93 HydrophobicContact CZ2-CB 4.09Å; W89-P93 HydrophobicContact CZ3-CB 4.25Å; P93-G105 CarbonylContact O-C 3.56Å; P93-G105 WeakPolarHBondContact O-CA 3.26Å; P93-R106 HydrophobicContact CB-CB 4.29Å; P93-R106 PolarHBondContact O-N 2.92Å
94F98.7Very high97.7Very high17 Ų1761.6 Ų61.68%0.07534%0.34CS..THydrogen-bonded Turntrans-100.213.7179.4-59.5-78.3000112.9S18 Q20 V22 W25 V80 A83 E92 R106S18-F94 WeakPolarHBondContact CA-O 3.47Å; Q20-F94 HydrophobicContact CB-CD1 4.33Å; Q20-F94 HydrophobicContact CB-CE1 4.3Å; Q20-F94 HydrophobicContact CG-CB 4.02Å; Q20-F94 HydrophobicContact CG-CD1 3.82Å; Q20-F94 HydrophobicContact CG-CD2 3.88Å; Q20-F94 HydrophobicContact CG-CE1 4.23Å; Q20-F94 HydrophobicContact CG-CE2 4.29Å; Q20-F94 HydrophobicContact CG-CG 3.63Å; Q20-F94 HydrophobicContact CG-CZ 4.46Å; V22-F94 HydrophobicContact CG2-CE1 4.03Å; V22-F94 HydrophobicContact CG2-CZ 3.56Å; W25-F94 HydrophobicContact CH2-CE2 4.2Å; W25-F94 HydrophobicContact CZ3-CE2 4.02Å; W25-F94 HydrophobicContact CZ3-CZ 4.22Å; V80-F94 HydrophobicContact CG2-CE1 4.04Å; A83-F94 HydrophobicContact CB-CE2 4.39Å; A83-F94 HydrophobicContact CB-CZ 4.41Å; A83-F94 WeakPolarHBondContact O-CE2 3.34Å; E92-F94 VanDerWaalsContact C-N 3.31Å; E92-F94 PolarHBondContact O-N 2.87Å; F94-R106 HydrophobicContact CD1-CB 4.4Å; F94-R106 HydrophobicContact CE1-CB 4.08Å; F94-R106 HydrophobicContact CE1-CG 3.81Å; F94-R106 HydrophobicContact CZ-CB 4.43Å; F94-R106 HydrophobicContact CZ-CG 4.1Å
95E98.6Very high97.8Very high129 Ų12957.5 Ų57.560%0.60332%0.319SS*.SBendtrans-113.8103167.3-61.1-175.9173.500107.4E92 V97E92-E95 HydrophobicContact CB-CB 3.97Å; E92-E95 HydrophobicContact CB-CG 3.88Å; E92-E95 PolarHBondContact O-N 3.49Å; E92-E95 VanDerWaalsContact O-O 3.12Å; E95-V97 PolarHBondContact O-N 2.91Å
96L98.7Very high97.8Very high7 Ų754 Ų544%0.03730%0.304CS..  trans-59.5136.9-177.9-172.8142.3000109.6L13 R14 V17 L103 Y104L13-L96 HydrophobicContact CD2-CD1 4.07Å; L13-L96 HydrophobicContact CG-CD1 3.79Å; R14-L96 HydrophobicContact CB-CB 4.19Å; R14-L96 HydrophobicContact CB-CD2 4.38Å; R14-L96 HydrophobicContact CG-CB 4.16Å; R14-L96 VanDerWaalsContact NH1-C 3.32Å; R14-L96 PolarHBondContact NH1-O 3.08Å; V17-L96 HydrophobicContact CB-CB 4.29Å; V17-L96 HydrophobicContact CB-CD1 4.27Å; V17-L96 HydrophobicContact CG1-CB 4.08Å; V17-L96 HydrophobicContact CG2-CD1 3.93Å; L96-L103 HydrophobicContact CD1-CB 4.26Å; L96-L103 HydrophobicContact CD2-CB 4.13Å; L96-L103 HydrophobicContact CD2-CD2 4.24Å; L96-L103 HydrophobicContact CG-CB 4.39Å; L96-Y104 CarbonylContact C-O 3.47Å; L96-Y104 WeakPolarHBondContact CA-O 3.01Å
97V98.5Very high98Very high51 Ų5149.2 Ų49.231%0.30927%0.27SS..EExtended strand (participates in β ladder)trans-128.8124.8177.2175.40000109.2T91 E95 Y104T91-V97 HydrophobicContact CG2-CB 3.96Å; T91-V97 HydrophobicContact CG2-CG1 4.18Å; T91-V97 HydrophobicContact CG2-CG2 3.85Å; E95-V97 PolarHBondContact O-N 2.91Å; V97-Y104 PolarHBondContact N-O 3.28Å; V97-Y104 PolarHBondContact O-N 2.81Å
98E98.2Very high98.1Very high80 Ų8045.8 Ų45.837%0.37425%0.252SS..EExtended strand (participates in β ladder)trans-83.5123.5169.2-176.6171.7176.100109.6K102 L103 K435E98-K102 CarbonylContact C-O 3.55Å; E98-K102 VanDerWaalsContact CA-O 3.3Å; E98-K102 WeakPolarHBondContact CA-O 3.41Å; E98-L103 HydrophobicContact CB-CD2 3.75Å; E98-L103 HydrophobicContact CG-CD2 3.76Å; E98-K435 WeakPolarHBondContact OE1-CD 3.26Å; E98-K435 WeakPolarHBondContact OE1-CE 3.47Å; E98-K435 IonicContact OE1-NZ 3.44Å; E98-K435 PolarHBondContact OE1-NZ 2.86Å
99K97.4Very high98.2Very high123 Ų12343.6 Ų43.654%0.53523%0.229SC..EExtended strand (participates in β ladder)trans-145.7129.4174.8-178.3-179.9176-174.40110G101 K102 Y104K99-G101 PolarHBondContact O-N 3.39Å; K99-G101 VanDerWaalsContact O-N 3.16Å; K99-K102 PolarHBondContact N-O 2.96Å; K99-K102 WeakPolarHBondContact O-CA 3.42Å; K99-K102 WeakPolarHBondContact O-CB 3.42Å; K99-K102 PolarHBondContact O-N 2.64Å; K99-Y104 HydrophobicContact CB-CD2 4.21Å; K99-Y104 HydrophobicContact CB-CE2 4.09Å
100D96.2Very high98.2Very high139 Ų13943.2 Ų43.274%0.74323%0.227SC*.THydrogen-bonded Turntrans52.537.3176.4-53.7-41.2000113.9K102D100-K102 VanDerWaalsContact C-N 3.29Å; D100-K102 PolarHBondContact O-N 3.19Å
101G97.2Very high98.3Very high34 Ų3438.8 Ų38.835%0.35120%0.196SC..THydrogen-bonded Turntrans75.712.5-17800000114.9K99 K435K99-G101 PolarHBondContact O-N 3.39Å; K99-G101 VanDerWaalsContact O-N 3.16Å; G101-K435 VanDerWaalsContact O-CB 3.3Å; G101-K435 WeakPolarHBondContact O-CB 3.47Å; G101-K435 PolarHBondContact O-N 3.3Å
102K98.2Very high98.3Very high60 Ų6037.3 Ų37.326%0.26119%0.187SC..EExtended strand (participates in β ladder)trans-115.5139.9178.6-54.7-179.5177.5-175.10110E98 K99 D100 Y104 D423 K432 N434E98-K102 CarbonylContact C-O 3.55Å; E98-K102 VanDerWaalsContact CA-O 3.3Å; E98-K102 WeakPolarHBondContact CA-O 3.41Å; K99-K102 PolarHBondContact N-O 2.96Å; K99-K102 WeakPolarHBondContact O-CA 3.42Å; K99-K102 WeakPolarHBondContact O-CB 3.42Å; K99-K102 PolarHBondContact O-N 2.64Å; D100-K102 VanDerWaalsContact C-N 3.29Å; D100-K102 PolarHBondContact O-N 3.19Å; K102-Y104 HydrophobicContact CB-CD2 4.17Å; K102-Y104 HydrophobicContact CB-CE2 3.58Å; K102-Y104 HydrophobicContact CD-CE2 4.27Å; K102-Y104 WeakPolarHBondContact CD-OH 3.44Å; K102-D423 IonicContact NZ-OD2 3.16Å; K102-K432 HydrophobicContact CB-CB 4.48Å; K102-K432 HydrophobicContact CB-CD 4.12Å; K102-K432 HydrophobicContact CD-CD 4.13Å; K102-K432 HydrophobicContact CG-CD 4.22Å; K102-N434 WeakPolarHBondContact CG-OD1 3.42Å
103L98.7Very high98.4Very high0 Ų033.3 Ų33.30%017%0.169CC..EExtended strand (participates in β ladder)trans-105.698.3179.9-54.2179.6000108.1V10 L13 L96 E98 K432 I433 K435 Y438V10-L103 HydrophobicContact CG1-CD2 4.02Å; V10-L103 HydrophobicContact CG2-CD1 4.2Å; V10-L103 HydrophobicContact CG2-CD2 4.47Å; L13-L103 HydrophobicContact CD2-CD1 4.03Å; L96-L103 HydrophobicContact CD1-CB 4.26Å; L96-L103 HydrophobicContact CD2-CB 4.13Å; L96-L103 HydrophobicContact CD2-CD2 4.24Å; L96-L103 HydrophobicContact CG-CB 4.39Å; E98-L103 HydrophobicContact CB-CD2 3.75Å; E98-L103 HydrophobicContact CG-CD2 3.76Å; L103-K432 WeakPolarHBondContact O-CA 3.3Å; L103-I433 HydrophobicContact CB-CG2 4.02Å; L103-I433 WeakPolarHBondContact CB-O 3.49Å; L103-I433 HydrophobicContact CD1-CG2 4.19Å; L103-I433 PolarHBondContact N-O 2.92Å; L103-I433 PolarHBondContact O-N 3.33Å; L103-K435 HydrophobicContact CD1-CB 4.49Å; L103-K435 HydrophobicContact CD2-CB 4.47Å; L103-K435 HydrophobicContact CG-CB 4.3Å; L103-Y438 HydrophobicContact CD1-CD1 4.04Å
104Y98.8Very high98.4Very high46 Ų4633.2 Ų33.218%0.1817%0.168CC..EExtended strand (participates in β ladder)trans-85.4131.9-176.5-72-84.4000111.3L96 V97 K99 K102 N430 E431 K432L96-Y104 CarbonylContact C-O 3.47Å; L96-Y104 WeakPolarHBondContact CA-O 3.01Å; V97-Y104 PolarHBondContact N-O 3.28Å; V97-Y104 PolarHBondContact O-N 2.81Å; K99-Y104 HydrophobicContact CB-CD2 4.21Å; K99-Y104 HydrophobicContact CB-CE2 4.09Å; K102-Y104 HydrophobicContact CB-CD2 4.17Å; K102-Y104 HydrophobicContact CB-CE2 3.58Å; K102-Y104 HydrophobicContact CD-CE2 4.27Å; K102-Y104 WeakPolarHBondContact CD-OH 3.44Å; Y104-N430 HydrophobicContact CD1-CB 4.25Å; Y104-N430 WeakPolarHBondContact CD1-O 3.4Å; Y104-N430 HydrophobicContact CE1-CB 4.27Å; Y104-E431 WeakPolarHBondContact CA-O 3.43Å; Y104-K432 HydrophobicContact CD1-CB 3.66Å; Y104-K432 HydrophobicContact CD1-CG 4.39Å; Y104-K432 HydrophobicContact CE1-CB 3.8Å; Y104-K432 HydrophobicContact CE1-CG 4.02Å; Y104-K432 HydrophobicContact CG-CB 4.11Å
105G98.7Very high98.3Very high0 Ų032.5 Ų32.50%017%0.165CC..SBendtrans165.9150.3176.200000111.6P93 G107 A108 E431P93-G105 CarbonylContact O-C 3.56Å; P93-G105 WeakPolarHBondContact O-CA 3.26Å; G105-G107 PolarHBondContact O-N 2.88Å; G105-A108 WeakPolarHBondContact O-CB 2.95Å; G105-A108 PolarHBondContact O-N 3.4Å; G105-A108 VanDerWaalsContact O-N 3.1Å; G105-E431 PolarHBondContact N-O 3.32Å
106R98.8Very high98.3Very high5 Ų526.3 Ų26.32%0.01914%0.136CC..THydrogen-bonded Turntrans-65.1124.5175.3167.85773.4-154.85.3109.8V80 Q81 P82 A83 W89 P93 F94 A108 E431V80-R106 HydrophobicContact CB-CG 4.01Å; V80-R106 HydrophobicContact CG2-CG 3.79Å; Q81-R106 WeakPolarHBondContact O-CD 3.35Å; Q81-R106 WeakPolarHBondContact O-CG 3.38Å; Q81-R106 PolarHBondContact O-NE 3.37Å; Q81-R106 VanDerWaalsContact O-NE 3.17Å; P82-R106 PolarHBondContact O-NH2 3.37Å; A83-R106 HydrophobicContact CB-CB 3.92Å; A83-R106 HydrophobicContact CB-CG 4.03Å; W89-R106 HydrophobicContact CH2-CB 4.07Å; W89-R106 HydrophobicContact CZ2-CB 4.23Å; P93-R106 HydrophobicContact CB-CB 4.29Å; P93-R106 PolarHBondContact O-N 2.92Å; F94-R106 HydrophobicContact CD1-CB 4.4Å; F94-R106 HydrophobicContact CE1-CB 4.08Å; F94-R106 HydrophobicContact CE1-CG 3.81Å; F94-R106 HydrophobicContact CZ-CB 4.43Å; F94-R106 HydrophobicContact CZ-CG 4.1Å; R106-A108 VanDerWaalsContact C-N 3.32Å; R106-E431 WeakPolarHBondContact CA-OE2 3.43Å; R106-E431 WeakPolarHBondContact CD-OE2 3.48Å; R106-E431 IonicContact CZ-OE2 3.02Å; R106-E431 IonicContact NE-OE2 2.55Å; R106-E431 IonicContact NH1-OE2 3.94Å; R106-E431 PolarHBondContact NH1-OE2 2.93Å
107G98.6Very high98.3Very high0 Ų026 Ų260%013%0.134CC..THydrogen-bonded Turntrans7911.6-175.900000114.6G105 T109 D110 K112 E431G105-G107 PolarHBondContact O-N 2.88Å; G107-T109 VanDerWaalsContact C-N 3.27Å; G107-T109 PolarHBondContact O-N 3.39Å; G107-D110 WeakPolarHBondContact CA-O 3.3Å; G107-K112 WeakPolarHBondContact O-CB 3.37Å; G107-K112 PolarHBondContact O-N 2.78Å; G107-K112 VanDerWaalsContact O-N 3.14Å; G107-E431 WeakPolarHBondContact CA-OE1 3.5Å; G107-E431 VanDerWaalsContact N-CD 3.27Å; G107-E431 PolarHBondContact N-OE1 3.44Å; G107-E431 PolarHBondContact N-OE2 3.36Å
108A98.7Very high98.3Very high0 Ų023.7 Ų23.70%012%0.12CC..THydrogen-bonded Turntrans-62.4-3617500000111.9G105 R106 G113 E431 I433G105-A108 WeakPolarHBondContact O-CB 2.95Å; G105-A108 PolarHBondContact O-N 3.4Å; G105-A108 VanDerWaalsContact O-N 3.1Å; R106-A108 VanDerWaalsContact C-N 3.32Å; A108-G113 WeakPolarHBondContact O-CA 3.4Å; A108-G113 PolarHBondContact O-N 3.18Å; A108-E431 PolarHBondContact N-OE1 3.28Å; A108-I433 HydrophobicContact CB-CG2 4.18Å; A108-I433 WeakPolarHBondContact O-CB 3.43Å; A108-I433 VanDerWaalsContact O-CG2 3.3Å; A108-I433 WeakPolarHBondContact O-CG2 3.45Å
109T98.7Very high98.2Very high2 Ų221.1 Ų21.11%0.01211%0.108CC..THydrogen-bonded Turntrans-105.5-21.5174.7-157.80000112.9G107 P114 Y175 D424 A426 E431G107-T109 VanDerWaalsContact C-N 3.27Å; G107-T109 PolarHBondContact O-N 3.39Å; T109-P114 WeakPolarHBondContact O-CD 3.34Å; T109-Y175 HydrophobicContact CG2-CD1 4.4Å; T109-Y175 HydrophobicContact CG2-CE1 3.79Å; T109-D424 WeakPolarHBondContact CB-OD2 3.44Å; T109-D424 HydrophobicContact CG2-CB 3.63Å; T109-D424 PolarHBondContact OG1-OD2 3.22Å; T109-A426 HydrophobicContact CG2-CB 4.18Å; T109-E431 HydrophobicContact CG2-CG 3.82Å; T109-E431 PolarHBondContact N-OE1 2.7Å
110D98.6Very high98.2Very high2 Ų215.2 Ų15.21%0.0118%0.083CC..THydrogen-bonded Turntrans-13688.5-163174.718.4000111.6H77 G107 A426 H427 E431H77-D110 IonicContact CE1-OD1 2.8Å; H77-D110 PolarHBondContact CE1-OD1 3.38Å; H77-D110 IonicContact NE2-OD1 3.77Å; H77-D110 PolarHBondContact NE2-OD1 3.43Å; G107-D110 WeakPolarHBondContact CA-O 3.3Å; D110-A426 HydrophobicContact CB-CB 4.07Å; D110-H427 IonicContact OD2-CD2 2.87Å; D110-H427 PolarHBondContact OD2-CD2 3.1Å; D110-H427 IonicContact OD2-NE2 2.74Å; D110-H427 PolarHBondContact OD2-NE2 2.94Å; D110-E431 PolarHBondContact N-OE1 3.42Å
111D98.5Very high98.3Very high1 Ų18.8 Ų8.81%0.0055%0.049CC..THydrogen-bonded Turncis-122.319.8-5.8-177.735.1000111G76 H77 G113 P114 V115G76-D111 WeakPolarHBondContact CA-OD2 3.42Å; H77-D111 VanDerWaalsContact CD2-CB 3.43Å; H77-D111 WeakPolarHBondContact CD2-CB 3.21Å; H77-D111 PolarHBondContact N-OD2 3.19Å; H77-D111 WeakPolarHBondContact NE2-CB 3.04Å; D111-G113 VanDerWaalsContact C-N 3.33Å; D111-G113 PolarHBondContact O-N 2.76Å; D111-P114 WeakPolarHBondContact O-CD 3.48Å; D111-P114 WeakPolarHBondContact OD1-CB 3.44Å; D111-P114 WeakPolarHBondContact OD1-CD 3.39Å; D111-P114 WeakPolarHBondContact OD1-CG 3.4Å; D111-V115 WeakPolarHBondContact O-CB 3.4Å; D111-V115 WeakPolarHBondContact O-CG2 3.23Å; D111-V115 PolarHBondContact O-N 2.74Å; D111-V115 WeakPolarHBondContact OD2-CG2 3.1Å
112K98.6Very high98.2Very high0 Ų09.3 Ų9.30%04%0.043CC..Hα-helixtrans-66.3-37.2-177.4-56.4176.6169.7174.80111.6L13 A16 V17 I19 S21 M35 V80 G107 V116L13-K112 HydrophobicContact CD1-CB 4.18Å; A16-K112 HydrophobicContact CB-CB 4.37Å; A16-K112 HydrophobicContact CB-CD 4.25Å; A16-K112 WeakPolarHBondContact O-CD 3.48Å; A16-K112 WeakPolarHBondContact O-CE 3.5Å; A16-K112 PolarHBondContact O-NZ 3.01Å; V17-K112 HydrophobicContact CG2-CD 4.31Å; I19-K112 PolarHBondContact O-NZ 3.08Å; S21-K112 VanDerWaalsContact OG-CE 3.22Å; S21-K112 WeakPolarHBondContact OG-CE 3.49Å; S21-K112 PolarHBondContact OG-NZ 2.75Å; S21-K112 VanDerWaalsContact OG-NZ 3.11Å; M35-K112 HydrophobicContact CE-CD 4.31Å; M35-K112 HydrophobicContact CE-CG 4.29Å; V80-K112 HydrophobicContact CG1-CD 4.17Å; V80-K112 HydrophobicContact CG1-CG 4.29Å; G107-K112 WeakPolarHBondContact O-CB 3.37Å; G107-K112 PolarHBondContact O-N 2.78Å; G107-K112 VanDerWaalsContact O-N 3.14Å; K112-V116 WeakPolarHBondContact O-CB 3.27Å; K112-V116 WeakPolarHBondContact O-CG2 3.36Å; K112-V116 PolarHBondContact O-N 2.72Å
113G98.5Very high98Very high0 Ų08.4 Ų8.40%04%0.04CC..Hα-helixtrans-53.9-59.5175.800000112.2A108 D111 V116 A117 Y438A108-G113 WeakPolarHBondContact O-CA 3.4Å; A108-G113 PolarHBondContact O-N 3.18Å; D111-G113 VanDerWaalsContact C-N 3.33Å; D111-G113 PolarHBondContact O-N 2.76Å; G113-V116 PolarHBondContact O-N 2.87Å; G113-A117 WeakPolarHBondContact O-CB 3.4Å; G113-A117 PolarHBondContact O-N 2.9Å; G113-Y438 WeakPolarHBondContact O-CE2 3.13Å
114P98.5Very high97.9Very high2 Ų29 Ų91%0.0135%0.045CC..Hα-helixtrans-64.8-40.4178.4-22.533.1000114.8T109 D111 V116 A117 W118 C172 L419T109-P114 WeakPolarHBondContact O-CD 3.34Å; D111-P114 WeakPolarHBondContact O-CD 3.48Å; D111-P114 WeakPolarHBondContact OD1-CB 3.44Å; D111-P114 WeakPolarHBondContact OD1-CD 3.39Å; D111-P114 WeakPolarHBondContact OD1-CG 3.4Å; P114-V116 PolarHBondContact O-N 2.81Å; P114-A117 WeakPolarHBondContact O-CB 3.12Å; P114-A117 PolarHBondContact O-N 2.8Å; P114-A117 VanDerWaalsContact O-N 3.16Å; P114-W118 PolarHBondContact O-N 2.8Å; P114-W118 VanDerWaalsContact O-N 3.13Å; P114-C172 HydrophobicContact CB-CB 3.82Å; P114-C172 WeakPolarHBondContact CB-O 3.22Å; P114-C172 WeakPolarHBondContact CG-O 3.38Å; P114-L419 HydrophobicContact CB-CD1 4.04Å; P114-L419 HydrophobicContact CB-CG 4.47Å; P114-L419 HydrophobicContact CG-CB 4.45Å; P114-L419 HydrophobicContact CG-CD1 4.5Å
115V98.2Very high97.7Very high1 Ų17.5 Ų7.51%0.0064%0.039CC..Hα-helixtrans-59.5-45.9173.9170.40000111.3L78 D111 A117 W118 I119 F140L78-V115 HydrophobicContact CD2-CG1 3.83Å; D111-V115 WeakPolarHBondContact O-CB 3.4Å; D111-V115 WeakPolarHBondContact O-CG2 3.23Å; D111-V115 PolarHBondContact O-N 2.74Å; D111-V115 WeakPolarHBondContact OD2-CG2 3.1Å; V115-A117 VanDerWaalsContact C-N 3.29Å; V115-A117 PolarHBondContact O-N 2.99Å; V115-W118 WeakPolarHBondContact O-CB 3.45Å; V115-W118 PolarHBondContact O-N 3.41Å; V115-I119 PolarHBondContact O-N 3.23Å; V115-F140 HydrophobicContact CG1-CD2 4.29Å; V115-F140 HydrophobicContact CG1-CE2 3.88Å; V115-F140 HydrophobicContact CG1-CZ 4.03Å; V115-F140 HydrophobicContact CG2-CE1 4.36Å
116V98.1Very high97.5Very high0 Ų014.9 Ų14.90%07%0.074CC..Hα-helixtrans-67.7-31.7177.8179.30000111.3R12 L13 A16 W38 K112 G113 P114 W118 I119 N120 Y438R12-V116 HydrophobicContact CB-CG1 4.22Å; R12-V116 HydrophobicContact CG-CG1 3.67Å; L13-V116 HydrophobicContact CD1-CG2 4.42Å; A16-V116 HydrophobicContact CB-CG2 3.96Å; W38-V116 HydrophobicContact CH2-CG2 3.69Å; W38-V116 HydrophobicContact CZ3-CG2 3.9Å; K112-V116 WeakPolarHBondContact O-CB 3.27Å; K112-V116 WeakPolarHBondContact O-CG2 3.36Å; K112-V116 PolarHBondContact O-N 2.72Å; G113-V116 PolarHBondContact O-N 2.87Å; P114-V116 PolarHBondContact O-N 2.81Å; V116-W118 VanDerWaalsContact C-N 3.31Å; V116-W118 PolarHBondContact O-N 2.88Å; V116-I119 WeakPolarHBondContact O-CB 3.26Å; V116-I119 PolarHBondContact O-N 3.22Å; V116-I119 VanDerWaalsContact O-N 3.14Å; V116-N120 PolarHBondContact O-N 3.48Å; V116-N120 PolarHBondContact O-ND2 3.37Å; V116-N120 PolarHBondContact O-OD1 2.91Å; V116-Y438 WeakPolarHBondContact CG1-OH 3.44Å
117A98.4Very high97.3Very high0 Ų021 Ų210%010%0.101CC..Hα-helixtrans-60.3-39.9172.700000111.9G113 P114 V115 N120 V121 L419 Y438 L445G113-A117 WeakPolarHBondContact O-CB 3.4Å; G113-A117 PolarHBondContact O-N 2.9Å; P114-A117 WeakPolarHBondContact O-CB 3.12Å; P114-A117 PolarHBondContact O-N 2.8Å; P114-A117 VanDerWaalsContact O-N 3.16Å; V115-A117 VanDerWaalsContact C-N 3.29Å; V115-A117 PolarHBondContact O-N 2.99Å; A117-N120 WeakPolarHBondContact O-CB 3.39Å; A117-N120 PolarHBondContact O-N 2.84Å; A117-V121 WeakPolarHBondContact O-CG2 3.42Å; A117-V121 PolarHBondContact O-N 2.88Å; A117-L419 HydrophobicContact CB-CD1 4.11Å; A117-Y438 HydrophobicContact CB-CD2 4.32Å; A117-Y438 HydrophobicContact CB-CE2 4.1Å; A117-L445 HydrophobicContact CB-CD1 3.82Å
118W98Very high97.2Very high3 Ų324 Ų241%0.01112%0.118CC..Hα-helixtrans-60.8-43.2171.7-80.5109.9000112.5V74 P114 V115 V116 N120 V121 L122 F138 L445 Y448 L449V74-W118 HydrophobicContact CG1-CD2 3.97Å; V74-W118 HydrophobicContact CG1-CG 4.01Å; V74-W118 HydrophobicContact CG1-CZ2 4.13Å; V74-W118 HydrophobicContact CG2-CD2 4.18Å; V74-W118 HydrophobicContact CG2-CE3 4.34Å; V74-W118 HydrophobicContact CG2-CH2 3.91Å; V74-W118 HydrophobicContact CG2-CZ2 3.72Å; V74-W118 HydrophobicContact CG2-CZ3 4.23Å; P114-W118 PolarHBondContact O-N 2.8Å; P114-W118 VanDerWaalsContact O-N 3.13Å; V115-W118 WeakPolarHBondContact O-CB 3.45Å; V115-W118 PolarHBondContact O-N 3.41Å; V116-W118 VanDerWaalsContact C-N 3.31Å; V116-W118 PolarHBondContact O-N 2.88Å; W118-N120 VanDerWaalsContact C-N 3.3Å; W118-N120 PolarHBondContact O-N 2.8Å; W118-V121 WeakPolarHBondContact O-CB 3.1Å; W118-V121 PolarHBondContact O-N 3.21Å; W118-L122 WeakPolarHBondContact O-CG 3.44Å; W118-L122 PolarHBondContact O-N 2.94Å; W118-L122 VanDerWaalsContact O-N 3.14Å; W118-F138 HydrophobicContact CB-CE1 4.21Å; W118-F138 HydrophobicContact CD2-CE1 4.45Å; W118-F138 HydrophobicContact CE3-CE1 4.47Å; W118-F138 HydrophobicContact CG-CE1 4.38Å; W118-L445 HydrophobicContact CD2-CD1 3.7Å; W118-L445 HydrophobicContact CD2-CG 4.46Å; W118-L445 HydrophobicContact CE3-CB 4.34Å; W118-L445 HydrophobicContact CE3-CD1 4.22Å; W118-L445 HydrophobicContact CG-CD1 3.81Å; W118-L445 HydrophobicContact CH2-CB 4.27Å; W118-L445 HydrophobicContact CH2-CD2 4.16Å; W118-L445 HydrophobicContact CZ2-CB 4.48Å; W118-L445 HydrophobicContact CZ2-CD1 4.35Å; W118-L445 HydrophobicContact CZ2-CD2 3.63Å; W118-L445 HydrophobicContact CZ2-CG 4.34Å; W118-L445 HydrophobicContact CZ3-CB 4.18Å; W118-Y448 HydrophobicContact CH2-CD1 4.11Å; W118-Y448 HydrophobicContact CH2-CE1 4.32Å; W118-L449 HydrophobicContact CH2-CD2 4Å; W118-L449 HydrophobicContact CZ3-CD1 4.18Å; W118-L449 HydrophobicContact CZ3-CD2 3.89Å; W118-L449 HydrophobicContact CZ3-CG 4.17Å
119I96.8Very high97.1Very high25 Ų2527.1 Ų27.113%0.12815%0.151CC..Hα-helixtrans-60.3-42.1175.3-59.7169.5000110.7W38 T39 P40 V115 V116 V121 L122 E123W38-I119 HydrophobicContact CZ3-CD1 4.28Å; T39-I119 HydrophobicContact CG2-CD1 4.27Å; P40-I119 HydrophobicContact CG-CG2 4.4Å; V115-I119 PolarHBondContact O-N 3.23Å; V116-I119 WeakPolarHBondContact O-CB 3.26Å; V116-I119 PolarHBondContact O-N 3.22Å; V116-I119 VanDerWaalsContact O-N 3.14Å; I119-V121 VanDerWaalsContact C-N 3.34Å; I119-V121 PolarHBondContact O-N 3.4Å; I119-L122 PolarHBondContact O-N 3.29Å; I119-E123 PolarHBondContact O-N 3.14Å; I119-E123 VanDerWaalsContact O-N 3.08Å
120N97.7Very high96.9Very high0 Ų031.3 Ų31.30%017%0.173CC..Hα-helixtrans-62.5-38.8177.5-60.1-24.4000112.1Y9 R12 V116 A117 W118 E123 A124 Y438 T442Y9-N120 HydrophobicContact CD1-CB 3.96Å; Y9-N120 WeakPolarHBondContact CD1-OD1 3.48Å; Y9-N120 HydrophobicContact CD2-CB 4.32Å; Y9-N120 HydrophobicContact CE1-CB 3.81Å; Y9-N120 HydrophobicContact CE2-CB 4.18Å; Y9-N120 HydrophobicContact CG-CB 4.22Å; R12-N120 WeakPolarHBondContact CD-OD1 3.26Å; R12-N120 PolarHBondContact NH1-OD1 3.27Å; V116-N120 PolarHBondContact O-N 3.48Å; V116-N120 PolarHBondContact O-ND2 3.37Å; V116-N120 PolarHBondContact O-OD1 2.91Å; A117-N120 WeakPolarHBondContact O-CB 3.39Å; A117-N120 PolarHBondContact O-N 2.84Å; W118-N120 VanDerWaalsContact C-N 3.3Å; W118-N120 PolarHBondContact O-N 2.8Å; N120-E123 PolarHBondContact O-N 3.41Å; N120-A124 WeakPolarHBondContact O-CB 3.46Å; N120-A124 PolarHBondContact O-N 3.49Å; N120-Y438 PolarHBondContact ND2-OH 2.78Å; N120-T442 HydrophobicContact CB-CG2 3.68Å
121V97.2Very high96.7Very high4 Ų437.8 Ų37.82%0.02420%0.203CC..Hα-helixtrans-60.5-48.7174.9171.60000110.6A117 W118 I119 E123 A124 F125 T442 L445 L449A117-V121 WeakPolarHBondContact O-CG2 3.42Å; A117-V121 PolarHBondContact O-N 2.88Å; W118-V121 WeakPolarHBondContact O-CB 3.1Å; W118-V121 PolarHBondContact O-N 3.21Å; I119-V121 VanDerWaalsContact C-N 3.34Å; I119-V121 PolarHBondContact O-N 3.4Å; V121-E123 VanDerWaalsContact C-N 3.33Å; V121-E123 PolarHBondContact O-N 3.31Å; V121-A124 WeakPolarHBondContact O-CB 3.45Å; V121-A124 PolarHBondContact O-N 2.89Å; V121-A124 VanDerWaalsContact O-N 3.08Å; V121-F125 HydrophobicContact CG1-CD2 3.72Å; V121-F125 HydrophobicContact CG1-CE2 3.63Å; V121-F125 WeakPolarHBondContact O-CD2 3.42Å; V121-F125 PolarHBondContact O-N 3.04Å; V121-T442 HydrophobicContact CG2-CG2 3.89Å; V121-T442 WeakPolarHBondContact CG2-O 3.35Å; V121-L445 HydrophobicContact CG2-CB 3.71Å; V121-L445 HydrophobicContact CG2-CD1 4.46Å; V121-L449 HydrophobicContact CG1-CD1 4.18Å
122L95.4Very high96.6Very high44 Ų4439.3 Ų39.323%0.2321%0.211CC..Hα-helixtrans-59.9-44-179.9-63.2-175.8000111.8L63 W118 I119 A124 F125 Q126 L132 L136 F138L63-L122 HydrophobicContact CD2-CD1 4.14Å; L63-L122 HydrophobicContact CD2-CD2 3.52Å; L63-L122 HydrophobicContact CD2-CG 4.37Å; W118-L122 WeakPolarHBondContact O-CG 3.44Å; W118-L122 PolarHBondContact O-N 2.94Å; W118-L122 VanDerWaalsContact O-N 3.14Å; I119-L122 PolarHBondContact O-N 3.29Å; L122-A124 VanDerWaalsContact C-N 3.32Å; L122-A124 PolarHBondContact O-N 3.41Å; L122-F125 PolarHBondContact O-N 3.46Å; L122-Q126 WeakPolarHBondContact O-CB 3.23Å; L122-Q126 PolarHBondContact O-N 3.21Å; L122-L132 HydrophobicContact CD2-CD1 4.34Å; L122-L132 HydrophobicContact CD2-CD2 4.44Å; L122-L136 HydrophobicContact CD2-CD1 3.6Å; L122-F138 HydrophobicContact CD1-CE2 3.97Å; L122-F138 HydrophobicContact CD1-CZ 3.82Å; L122-F138 HydrophobicContact CD2-CZ 4.29Å; L122-F138 HydrophobicContact CG-CZ 4.36Å
123E94.6Very high96.6Very high42 Ų4240.6 Ų40.620%0.19622%0.219CC..Hα-helixtrans-60.2-42.8173.8178.7178.5-131.800111.4Y9 R12 I119 N120 V121 F125 Q126 K127Y9-E123 WeakPolarHBondContact CE1-OE2 3.34Å; R12-E123 IonicContact CZ-OE2 3.88Å; R12-E123 VanDerWaalsContact CZ-OE2 3.27Å; R12-E123 IonicContact NH1-OE2 2.74Å; R12-E123 PolarHBondContact NH1-OE2 3.28Å; R12-E123 VanDerWaalsContact NH2-CD 3.25Å; R12-E123 IonicContact NH2-OE1 3.48Å; R12-E123 PolarHBondContact NH2-OE1 3.08Å; R12-E123 VanDerWaalsContact NH2-OE1 3.1Å; R12-E123 IonicContact NH2-OE2 2.75Å; R12-E123 PolarHBondContact NH2-OE2 3.01Å; I119-E123 PolarHBondContact O-N 3.14Å; I119-E123 VanDerWaalsContact O-N 3.08Å; N120-E123 PolarHBondContact O-N 3.41Å; V121-E123 VanDerWaalsContact C-N 3.33Å; V121-E123 PolarHBondContact O-N 3.31Å; E123-F125 PolarHBondContact O-N 2.95Å; E123-Q126 PolarHBondContact O-N 2.81Å; E123-K127 HydrophobicContact CG-CG 3.89Å; E123-K127 WeakPolarHBondContact O-CB 3.23Å; E123-K127 VanDerWaalsContact O-CG 3.23Å; E123-K127 WeakPolarHBondContact O-CG 3.23Å; E123-K127 PolarHBondContact O-N 3.01Å
124A96.4Very high96.6Very high13 Ų1340.7 Ų40.711%0.10722%0.22CC..Hα-helixtrans-61.4-45.1179.400000112.2F1 V2 N120 V121 L122 T128F1-A124 HydrophobicContact CD1-CB 3.6Å; F1-A124 HydrophobicContact CE1-CB 3.97Å; V2-A124 HydrophobicContact CG2-CB 4.36Å; N120-A124 WeakPolarHBondContact O-CB 3.46Å; N120-A124 PolarHBondContact O-N 3.49Å; V121-A124 WeakPolarHBondContact O-CB 3.45Å; V121-A124 PolarHBondContact O-N 2.89Å; V121-A124 VanDerWaalsContact O-N 3.08Å; L122-A124 VanDerWaalsContact C-N 3.32Å; L122-A124 PolarHBondContact O-N 3.41Å; A124-T128 WeakPolarHBondContact O-CB 3.41Å; A124-T128 VanDerWaalsContact O-CG2 3.23Å; A124-T128 WeakPolarHBondContact O-CG2 3.49Å; A124-T128 PolarHBondContact O-N 3.03Å; A124-T128 PolarHBondContact O-OG1 2.83Å
125F95.7Very high96.5Very high14 Ų1441 Ų416%0.06122%0.221CC..Hα-helixtrans-60.7-48.5173.8-83.7-83.2000111.3V121 L122 E123 K127 T128 G129 I130 L132 L449 F450V121-F125 HydrophobicContact CG1-CD2 3.72Å; V121-F125 HydrophobicContact CG1-CE2 3.63Å; V121-F125 WeakPolarHBondContact O-CD2 3.42Å; V121-F125 PolarHBondContact O-N 3.04Å; L122-F125 PolarHBondContact O-N 3.46Å; E123-F125 PolarHBondContact O-N 2.95Å; F125-K127 PolarHBondContact O-N 2.85Å; F125-T128 PolarHBondContact O-N 2.83Å; F125-T128 PolarHBondContact O-OG1 2.86Å; F125-G129 PolarHBondContact O-N 3.3Å; F125-G129 VanDerWaalsContact O-N 3.08Å; F125-I130 HydrophobicContact CD1-CB 4.08Å; F125-I130 HydrophobicContact CD1-CG2 3.94Å; F125-I130 WeakPolarHBondContact CD1-O 3.49Å; F125-I130 HydrophobicContact CE1-CB 4.5Å; F125-I130 HydrophobicContact CE1-CG2 3.89Å; F125-I130 PolarHBondContact O-N 2.91Å; F125-L132 HydrophobicContact CB-CD2 3.97Å; F125-L132 HydrophobicContact CB-CG 4.11Å; F125-L132 HydrophobicContact CD1-CD2 3.87Å; F125-L132 HydrophobicContact CD1-CG 4.21Å; F125-L132 HydrophobicContact CD2-CD2 3.45Å; F125-L132 VanDerWaalsContact CD2-CD2 3.45Å; F125-L132 HydrophobicContact CD2-CG 4.46Å; F125-L132 HydrophobicContact CE1-CD2 4.19Å; F125-L132 HydrophobicContact CE2-CD2 3.82Å; F125-L132 HydrophobicContact CG-CD2 3.49Å; F125-L132 VanDerWaalsContact CG-CD2 3.49Å; F125-L132 HydrophobicContact CG-CG 4.03Å; F125-L132 HydrophobicContact CZ-CD2 4.17Å; F125-L449 HydrophobicContact CE2-CD1 4.15Å; F125-F450 HydrophobicContact CE1-CE1 4.43Å; F125-F450 AromaticContact CE1-CE2 3.84Å; F125-F450 HydrophobicContact CE1-CE2 3.84Å; F125-F450 AromaticContact CE1-CZ 3.57Å; F125-F450 HydrophobicContact CE1-CZ 3.57Å; F125-F450 HydrophobicContact CZ-CD2 4.33Å; F125-F450 AromaticContact CZ-CE2 3.54Å; F125-F450 HydrophobicContact CZ-CE2 3.54Å; F125-F450 AromaticContact CZ-CZ 3.79Å; F125-F450 HydrophobicContact CZ-CZ 3.79Å
126Q93.3Very high96.5Very high154 Ų15441 Ų4172%0.7222%0.221SC*.Hα-helixtrans-59.6-45.3-179.6-171.2-173.922.600112.6L122 E123L122-Q126 WeakPolarHBondContact O-CB 3.23Å; L122-Q126 PolarHBondContact O-N 3.21Å; E123-Q126 PolarHBondContact O-N 2.81Å
127K95.2Very high96.5Very high135 Ų13541.6 Ų41.659%0.58722%0.224SC*.Hα-helixtrans-79.3-25.9-174.5-66-69.3-176.6-179.10113.6F1 E123 F125F1-K127 HydrophobicContact CD2-CB 4.3Å; F1-K127 HydrophobicContact CE1-CB 4.29Å; F1-K127 HydrophobicContact CE2-CB 3.37Å; F1-K127 HydrophobicContact CE2-CG 4.18Å; F1-K127 HydrophobicContact CZ-CB 3.37Å; F1-K127 HydrophobicContact CZ-CG 3.76Å; E123-K127 HydrophobicContact CG-CG 3.89Å; E123-K127 WeakPolarHBondContact O-CB 3.23Å; E123-K127 VanDerWaalsContact O-CG 3.23Å; E123-K127 WeakPolarHBondContact O-CG 3.23Å; E123-K127 PolarHBondContact O-N 3.01Å; F125-K127 PolarHBondContact O-N 2.85Å
128T96.6Very high96.4Very high61 Ų6142.1 Ų42.137%0.37423%0.226SC..Hα-helixtrans-85.4-14.9174.957.60000112.9F1 A124 F125 I130F1-T128 HydrophobicContact CB-CG2 3.62Å; F1-T128 HydrophobicContact CD2-CG2 3.68Å; F1-T128 HydrophobicContact CG-CG2 3.67Å; A124-T128 WeakPolarHBondContact O-CB 3.41Å; A124-T128 VanDerWaalsContact O-CG2 3.23Å; A124-T128 WeakPolarHBondContact O-CG2 3.49Å; A124-T128 PolarHBondContact O-N 3.03Å; A124-T128 PolarHBondContact O-OG1 2.83Å; F125-T128 PolarHBondContact O-N 2.83Å; F125-T128 PolarHBondContact O-OG1 2.86Å; T128-I130 PolarHBondContact O-N 3.29Å; T128-I130 WeakPolarHBondContact OG1-CG1 3.32Å
129G95.3Very high96.4Very high67 Ų6742 Ų4269%0.69123%0.225SC*.THydrogen-bonded Turntrans72.211.4-176.500000113.5F125F125-G129 PolarHBondContact O-N 3.3Å; F125-G129 VanDerWaalsContact O-N 3.08Å
130I95.5Very high96.3Very high90 Ų9041.1 Ų41.146%0.46222%0.221SC..PPolyproline II helixtrans-75131.4172.8-60.4172.7000107.7F125 T128 F450F125-I130 HydrophobicContact CD1-CB 4.08Å; F125-I130 HydrophobicContact CD1-CG2 3.94Å; F125-I130 WeakPolarHBondContact CD1-O 3.49Å; F125-I130 HydrophobicContact CE1-CB 4.5Å; F125-I130 HydrophobicContact CE1-CG2 3.89Å; F125-I130 PolarHBondContact O-N 2.91Å; T128-I130 PolarHBondContact O-N 3.29Å; T128-I130 WeakPolarHBondContact OG1-CG1 3.32Å; I130-F450 HydrophobicContact CG2-CZ 3.97Å
131E94.9Very high96.2Very high138 Ų13841.1 Ų41.165%0.64522%0.221SC*.PPolyproline II helixtrans-69.7136.1177.4-169.8179.417500110.7K69K69-E131 WeakPolarHBondContact CE-OE1 3.48Å; K69-E131 IonicContact NZ-OE1 3.88Å; K69-E131 PolarHBondContact NZ-OE1 2.78Å
132L96.2Very high96.1Very high32 Ų3241 Ų4117%0.16822%0.22CC..PPolyproline II helixtrans-62.2125.7172.5-79.9165.3000109.8L63 K69 L122 F125 V134 L136 L449L63-L132 HydrophobicContact CD2-CD1 3.39Å; L63-L132 HydrophobicContact CG-CD1 3.93Å; K69-L132 PolarHBondContact NZ-O 2.83Å; L122-L132 HydrophobicContact CD2-CD1 4.34Å; L122-L132 HydrophobicContact CD2-CD2 4.44Å; F125-L132 HydrophobicContact CB-CD2 3.97Å; F125-L132 HydrophobicContact CB-CG 4.11Å; F125-L132 HydrophobicContact CD1-CD2 3.87Å; F125-L132 HydrophobicContact CD1-CG 4.21Å; F125-L132 HydrophobicContact CD2-CD2 3.45Å; F125-L132 VanDerWaalsContact CD2-CD2 3.45Å; F125-L132 HydrophobicContact CD2-CG 4.46Å; F125-L132 HydrophobicContact CE1-CD2 4.19Å; F125-L132 HydrophobicContact CE2-CD2 3.82Å; F125-L132 HydrophobicContact CG-CD2 3.49Å; F125-L132 VanDerWaalsContact CG-CD2 3.49Å; F125-L132 HydrophobicContact CG-CG 4.03Å; F125-L132 HydrophobicContact CZ-CD2 4.17Å; L132-V134 VanDerWaalsContact C-N 3.26Å; L132-V134 PolarHBondContact O-N 3.45Å; L132-L136 HydrophobicContact CD2-CD1 4.27Å; L132-L449 HydrophobicContact CD2-CD1 4.14Å
133P97.7Very high96Very high27 Ų2739.1 Ų39.118%0.17521%0.211CC..SBendtrans-75-15.4-174.631.1-37.7000113.3L449 F450 A453P133-L449 HydrophobicContact CG-CB 3.93Å; P133-L449 WeakPolarHBondContact CG-O 3.11Å; P133-F450 HydrophobicContact CB-CD1 4.15Å; P133-F450 HydrophobicContact CB-CE1 4.43Å; P133-F450 HydrophobicContact CG-CD1 3.99Å; P133-F450 HydrophobicContact CG-CE1 4.24Å; P133-F450 HydrophobicContact CG-CG 4.28Å; P133-A453 HydrophobicContact CB-CB 3.73Å
134V98.5Very high96Very high3 Ų338.3 Ų38.32%0.01821%0.207CC..SBendtrans-128.8162.9178.2-62.30000111.5K70 V72 L132 L136 L449 I452 A453K70-V134 HydrophobicContact CB-CG1 4.27Å; K70-V134 CarbonylContact O-C 3.58Å; K70-V134 WeakPolarHBondContact O-CA 3.48Å; K70-V134 WeakPolarHBondContact O-CB 3.3Å; V72-V134 HydrophobicContact CG2-CB 4.47Å; V72-V134 HydrophobicContact CG2-CG1 4.45Å; V72-V134 HydrophobicContact CG2-CG2 4.22Å; L132-V134 VanDerWaalsContact C-N 3.26Å; L132-V134 PolarHBondContact O-N 3.45Å; V134-L136 HydrophobicContact CG2-CD2 4.11Å; V134-L136 HydrophobicContact CG2-CG 4.14Å; V134-L449 HydrophobicContact CG2-CB 4.36Å; V134-L449 HydrophobicContact CG2-CD2 3.84Å; V134-L449 HydrophobicContact CG2-CG 4.46Å; V134-I452 HydrophobicContact CG1-CG2 3.93Å; V134-A453 HydrophobicContact CG1-CB 3.84Å
135N98.1Very high95.9Very high8 Ų838.8 Ų38.84%0.04321%0.207CC..EExtended strand (participates in β ladder)trans-76.2146.3156.7-53.6-49.6000108.7L63 T65 D66 K69 K70 T71 V72L63-N135 WeakPolarHBondContact O-CA 3.44Å; T65-N135 PolarHBondContact N-OD1 3.3Å; D66-N135 PolarHBondContact N-OD1 2.87Å; D66-N135 PolarHBondContact O-ND2 3.44Å; K69-N135 PolarHBondContact O-ND2 2.96Å; K70-N135 PolarHBondContact O-N 3.03Å; T71-N135 WeakPolarHBondContact CA-O 3.33Å; T71-N135 HydrophobicContact CG2-CB 4.17Å; V72-N135 PolarHBondContact N-O 3.01Å
136L97.7Very high95.6Very high0 Ų040.7 Ų40.70%022%0.222CC..EExtended strand (participates in β ladder)trans-119.7141.5176.4-72164.5000110.6L63 V72 V74 L122 L132 V134 F138 L449L63-L136 HydrophobicContact CB-CB 4.26Å; L63-L136 HydrophobicContact CD2-CD1 4.48Å; L63-L136 PolarHBondContact N-O 2.89Å; L63-L136 PolarHBondContact O-N 2.83Å; V72-L136 HydrophobicContact CB-CD2 4.04Å; V72-L136 HydrophobicContact CG1-CD2 4.48Å; V72-L136 WeakPolarHBondContact O-CA 3.22Å; V74-L136 HydrophobicContact CG2-CD2 4.3Å; L122-L136 HydrophobicContact CD2-CD1 3.6Å; L132-L136 HydrophobicContact CD2-CD1 4.27Å; V134-L136 HydrophobicContact CG2-CD2 4.11Å; V134-L136 HydrophobicContact CG2-CG 4.14Å; L136-F138 HydrophobicContact CB-CE2 3.72Å; L136-F138 HydrophobicContact CB-CZ 4.09Å; L136-F138 HydrophobicContact CD1-CE2 4.33Å; L136-F138 HydrophobicContact CD1-CZ 4.05Å; L136-F138 HydrophobicContact CG-CZ 4.47Å; L136-L449 HydrophobicContact CD1-CD1 4.04Å; L136-L449 HydrophobicContact CD2-CD2 3.9Å
137K97.4Very high95.3Very high13 Ų1335.2 Ų35.26%0.05721%0.207CC..EExtended strand (participates in β ladder)trans-121.5142.8163.5-67.6-168.9-177.5-1250108.8A61 D62 T71 V72 L73 V74 W162 T165 V166A61-K137 CarbonylContact O-C 3.55Å; A61-K137 VanDerWaalsContact O-CA 3.26Å; A61-K137 WeakPolarHBondContact O-CA 3.31Å; D62-K137 WeakPolarHBondContact OD1-CE 3.36Å; D62-K137 WeakPolarHBondContact OD1-CG 3.19Å; D62-K137 IonicContact OD1-NZ 2.67Å; D62-K137 PolarHBondContact OD1-NZ 2.87Å; T71-K137 HydrophobicContact CG2-CD 4.13Å; T71-K137 HydrophobicContact CG2-CG 3.85Å; V72-K137 PolarHBondContact O-N 3.06Å; L73-K137 CarbonylContact C-O 3.56Å; L73-K137 WeakPolarHBondContact CA-O 3.15Å; L73-K137 HydrophobicContact CD1-CB 3.59Å; V74-K137 PolarHBondContact N-O 3.28Å; K137-W162 HydrophobicContact CB-CH2 3.83Å; K137-W162 HydrophobicContact CB-CZ2 3.83Å; K137-W162 HydrophobicContact CD-CD2 4.27Å; K137-W162 HydrophobicContact CD-CH2 4.14Å; K137-W162 HydrophobicContact CD-CZ2 3.82Å; K137-W162 WeakPolarHBondContact CE-O 3.38Å; K137-W162 HydrophobicContact CG-CH2 4.46Å; K137-W162 HydrophobicContact CG-CZ2 4.07Å; K137-W162 PolarHBondContact NZ-O 3.15Å; K137-T165 WeakPolarHBondContact CE-OG1 3.32Å; K137-T165 PolarHBondContact NZ-OG1 2.95Å; K137-V166 HydrophobicContact CD-CG2 4Å
138F97.3Very high95.1Very high11 Ų1129.4 Ų29.45%0.04818%0.183CC..EExtended strand (participates in β ladder)trans-122.3135.7175.2-61-88.9000109.2F60 A61 V74 W118 L122 L136 F140 W162F60-F138 WeakPolarHBondContact CA-O 3.42Å; A61-F138 HydrophobicContact CB-CB 4.24Å; A61-F138 HydrophobicContact CB-CD2 4.33Å; A61-F138 PolarHBondContact N-O 2.85Å; A61-F138 PolarHBondContact O-N 2.9Å; V74-F138 HydrophobicContact CB-CD1 3.65Å; V74-F138 HydrophobicContact CB-CE1 3.84Å; V74-F138 HydrophobicContact CG1-CD1 3.96Å; V74-F138 HydrophobicContact CG1-CE1 4.08Å; V74-F138 HydrophobicContact CG2-CD1 4.28Å; V74-F138 HydrophobicContact CG2-CE1 3.98Å; V74-F138 WeakPolarHBondContact O-CA 3.41Å; W118-F138 HydrophobicContact CB-CE1 4.21Å; W118-F138 HydrophobicContact CD2-CE1 4.45Å; W118-F138 HydrophobicContact CE3-CE1 4.47Å; W118-F138 HydrophobicContact CG-CE1 4.38Å; L122-F138 HydrophobicContact CD1-CE2 3.97Å; L122-F138 HydrophobicContact CD1-CZ 3.82Å; L122-F138 HydrophobicContact CD2-CZ 4.29Å; L122-F138 HydrophobicContact CG-CZ 4.36Å; L136-F138 HydrophobicContact CB-CE2 3.72Å; L136-F138 HydrophobicContact CB-CZ 4.09Å; L136-F138 HydrophobicContact CD1-CE2 4.33Å; L136-F138 HydrophobicContact CD1-CZ 4.05Å; L136-F138 HydrophobicContact CG-CZ 4.47Å; F138-F140 HydrophobicContact CB-CE1 4.48Å; F138-F140 HydrophobicContact CB-CE2 4.29Å; F138-F140 HydrophobicContact CB-CZ 4.16Å; F138-F140 HydrophobicContact CD1-CE1 4.13Å; F138-F140 HydrophobicContact CD1-CE2 4.19Å; F138-F140 AromaticContact CD1-CZ 3.52Å; F138-F140 HydrophobicContact CD1-CZ 3.52Å; F138-F140 HydrophobicContact CE1-CZ 4.36Å; F138-F140 HydrophobicContact CG-CZ 4.23Å; F138-W162 WeakPolarHBondContact O-CH2 3.28Å
139V96.4Very high94.5Very high0 Ų032.4 Ų32.40%019%0.193CC..EExtended strand (participates in β ladder)trans-129.9112.3167.159.20000108.6I58 L59 F60 L73 V74 Y75 F151 L155 W162 L406I58-V139 HydrophobicContact CG2-CG2 3.87Å; L59-V139 VanDerWaalsContact O-CA 3.29Å; L59-V139 WeakPolarHBondContact O-CA 3.43Å; F60-V139 HydrophobicContact CD1-CB 4.22Å; F60-V139 HydrophobicContact CD1-CG2 3.97Å; F60-V139 HydrophobicContact CE1-CB 4.06Å; F60-V139 HydrophobicContact CE1-CG2 3.42Å; F60-V139 VanDerWaalsContact CE1-CG2 3.42Å; F60-V139 HydrophobicContact CZ-CG2 3.85Å; L73-V139 HydrophobicContact CD1-CB 4.42Å; L73-V139 HydrophobicContact CD1-CG1 3.87Å; L73-V139 HydrophobicContact CD2-CG1 4.41Å; L73-V139 HydrophobicContact CG-CG1 4.3Å; V74-V139 PolarHBondContact O-N 2.91Å; Y75-V139 WeakPolarHBondContact CA-O 3.22Å; Y75-V139 HydrophobicContact CD2-CG1 4.25Å; Y75-V139 WeakPolarHBondContact CD2-O 3.41Å; V139-F151 HydrophobicContact CG2-CE2 3.58Å; V139-F151 HydrophobicContact CG2-CZ 3.61Å; V139-L155 HydrophobicContact CG2-CD2 4.32Å; V139-W162 HydrophobicContact CB-CH2 4.3Å; V139-W162 HydrophobicContact CB-CZ3 4.41Å; V139-L406 HydrophobicContact CG1-CD2 4.46Å
140F96.5Very high94.1Very high7 Ų730.5 Ų30.53%0.03117%0.173CC..EExtended strand (participates in β ladder)trans-119.6129.5177.8-54.9-38.4000110.9T39 L59 V74 G76 L78 V115 F138T39-F140 HydrophobicContact CG2-CD2 4.03Å; T39-F140 HydrophobicContact CG2-CE2 4.18Å; L59-F140 HydrophobicContact CB-CB 4.22Å; L59-F140 HydrophobicContact CD1-CD2 4.3Å; L59-F140 HydrophobicContact CD2-CD2 3.85Å; L59-F140 HydrophobicContact CD2-CG 4.45Å; L59-F140 PolarHBondContact N-O 3.08Å; L59-F140 PolarHBondContact O-N 2.79Å; V74-F140 HydrophobicContact CG1-CE1 4.22Å; G76-F140 VanDerWaalsContact O-CA 3.27Å; G76-F140 WeakPolarHBondContact O-CA 3.48Å; L78-F140 HydrophobicContact CD1-CB 4.17Å; L78-F140 HydrophobicContact CG-CB 4.18Å; V115-F140 HydrophobicContact CG1-CD2 4.29Å; V115-F140 HydrophobicContact CG1-CE2 3.88Å; V115-F140 HydrophobicContact CG1-CZ 4.03Å; V115-F140 HydrophobicContact CG2-CE1 4.36Å; F138-F140 HydrophobicContact CB-CE1 4.48Å; F138-F140 HydrophobicContact CB-CE2 4.29Å; F138-F140 HydrophobicContact CB-CZ 4.16Å; F138-F140 HydrophobicContact CD1-CE1 4.13Å; F138-F140 HydrophobicContact CD1-CE2 4.19Å; F138-F140 AromaticContact CD1-CZ 3.52Å; F138-F140 HydrophobicContact CD1-CZ 3.52Å; F138-F140 HydrophobicContact CE1-CZ 4.36Å; F138-F140 HydrophobicContact CG-CZ 4.23Å
141E95Very high93.9Very high0 Ų026.2 Ų26.20%015%0.151CC..EExtended strand (participates in β ladder)trans-104.2-179.8174.475.5169.912600112.1Y75 G76 H77 L78 E144 S148 F151Y75-E141 HydrophobicContact CE2-CG 4.01Å; Y75-E141 PolarHBondContact OH-OE1 3.34Å; Y75-E141 VanDerWaalsContact OH-OE1 3.12Å; G76-E141 PolarHBondContact O-N 3.24Å; H77-E141 WeakPolarHBondContact CA-O 3.44Å; H77-E141 HydrophobicContact CB-CG 4.22Å; L78-E141 PolarHBondContact N-O 3.48Å; E141-E144 HydrophobicContact CG-CB 4.42Å; E141-S148 VanDerWaalsContact CD-OG 3.25Å; E141-S148 VanDerWaalsContact OE1-CB 3.27Å; E141-S148 WeakPolarHBondContact OE1-CB 3.49Å; E141-S148 PolarHBondContact OE1-OG 3.38Å; E141-S148 VanDerWaalsContact OE2-CA 3.29Å; E141-S148 WeakPolarHBondContact OE2-CA 3.16Å; E141-S148 VanDerWaalsContact OE2-CB 3.31Å; E141-S148 WeakPolarHBondContact OE2-CB 3.21Å; E141-S148 PolarHBondContact OE2-OG 3.27Å; E141-F151 HydrophobicContact CB-CD2 4.04Å; E141-F151 HydrophobicContact CB-CE2 4.07Å; E141-F151 HydrophobicContact CB-CG 4.32Å; E141-F151 HydrophobicContact CB-CZ 4.33Å; E141-F151 HydrophobicContact CG-CD1 4.41Å; E141-F151 HydrophobicContact CG-CE1 4.4Å; E141-F151 WeakPolarHBondContact OE1-CD1 3.3Å; E141-F151 WeakPolarHBondContact OE1-CE1 2.99Å
142S95Very high93.8Very high2 Ų222.4 Ų22.41%0.01414%0.136CC..SBendtrans-144.530.4-179.2-56.50000111.7V36 D79V36-S142 WeakPolarHBondContact CG2-OG 3.47Å; D79-S142 VanDerWaalsContact CB-O 3.31Å; D79-S142 WeakPolarHBondContact CB-O 3.28Å; D79-S142 VanDerWaalsContact OD1-CA 3.25Å; D79-S142 WeakPolarHBondContact OD1-CA 3.33Å
143L93.6Very high93.6Very high5 Ų526.6 Ų26.63%0.02615%0.154CC..  trans-138.315176.7-68-179.9000112.4F53 P56 D79 E145 S146 G147 S148 Q149F53-L143 HydrophobicContact CE1-CD2 4.14Å; F53-L143 HydrophobicContact CZ-CD2 4.16Å; P56-L143 HydrophobicContact CG-CD1 4.32Å; P56-L143 HydrophobicContact CG-CD2 3.96Å; P56-L143 HydrophobicContact CG-CG 3.79Å; D79-L143 PolarHBondContact OD1-N 3.02Å; D79-L143 VanDerWaalsContact OD1-N 3.11Å; D79-L143 WeakPolarHBondContact OD2-CA 3.49Å; L143-E145 VanDerWaalsContact C-N 3.26Å; L143-E145 PolarHBondContact O-N 2.73Å; L143-S146 CarbonylContact O-C 3.48Å; L143-S146 VanDerWaalsContact O-C 3.22Å; L143-S146 WeakPolarHBondContact O-CA 3.2Å; L143-S146 PolarHBondContact O-N 2.88Å; L143-G147 PolarHBondContact O-N 2.55Å; L143-S148 WeakPolarHBondContact O-CA 3.39Å; L143-S148 PolarHBondContact O-N 2.79Å; L143-Q149 HydrophobicContact CD1-CB 4.48Å
144E94.9Very high93.3Very high25 Ų2526.6 Ų26.612%0.11715%0.153CC..G310 helixtrans-56.3-47.5-177.9-162.3-68152.400109.9Y75 H77 D79 E141 S146 G147 S148Y75-E144 VanDerWaalsContact OH-CG 3.28Å; Y75-E144 WeakPolarHBondContact OH-CG 3.35Å; H77-E144 HydrophobicContact CB-CB 3.57Å; H77-E144 HydrophobicContact CB-CG 4.24Å; D79-E144 PolarHBondContact OD1-N 2.99Å; D79-E144 VanDerWaalsContact OD1-N 3.16Å; D79-E144 PolarHBondContact OD2-N 3.38Å; E141-E144 HydrophobicContact CG-CB 4.42Å; E144-S146 PolarHBondContact O-N 3.29Å; E144-G147 PolarHBondContact O-N 3.14Å; E144-S148 WeakPolarHBondContact CA-OG 3.41Å
145E94Very high93.1Very high22 Ų2226.4 Ų26.410%0.10315%0.153CC..G310 helixtrans-70.2-7.7-177.9-58.1-90.2-12600112.7D79 Q81 L143 H427D79-E145 VanDerWaalsContact OD2-CB 3.28Å; D79-E145 WeakPolarHBondContact OD2-CB 3.34Å; D79-E145 PolarHBondContact OD2-N 3.17Å; D79-E145 VanDerWaalsContact OD2-N 3.12Å; Q81-E145 WeakPolarHBondContact CG-OE1 3.28Å; Q81-E145 WeakPolarHBondContact CG-OE2 3.39Å; Q81-E145 PolarHBondContact N-OE1 2.75Å; Q81-E145 PolarHBondContact NE2-OE2 2.98Å; L143-E145 VanDerWaalsContact C-N 3.26Å; L143-E145 PolarHBondContact O-N 2.73Å; E145-H427 IonicContact OE2-CE1 2.72Å; E145-H427 PolarHBondContact OE2-CE1 3.35Å; E145-H427 IonicContact OE2-ND1 3.23Å; E145-H427 IonicContact OE2-NE2 3.81Å
146S89.9Confident93Very high54 Ų5430.8 Ų30.838%0.37817%0.169SC..G310 helixtrans-119.518.7176-65.10000112.7S23 A24 L143 E144S23-S146 VanDerWaalsContact CB-OG 3.23Å; S23-S146 WeakPolarHBondContact CB-OG 3.35Å; S23-S146 PolarHBondContact OG-OG 3.3Å; A24-S146 PolarHBondContact N-OG 3.46Å; L143-S146 CarbonylContact O-C 3.48Å; L143-S146 VanDerWaalsContact O-C 3.22Å; L143-S146 WeakPolarHBondContact O-CA 3.2Å; L143-S146 PolarHBondContact O-N 2.88Å; E144-S146 PolarHBondContact O-N 3.29Å
147G85.7Confident92.9Very high40 Ų4036.2 Ų36.241%0.41220%0.195SC..THydrogen-bonded Turntrans90.719.4171.200000116.1L143 E144 Q149L143-G147 PolarHBondContact O-N 2.55Å; E144-G147 PolarHBondContact O-N 3.14Å; G147-Q149 VanDerWaalsContact C-N 3.25Å; G147-Q149 PolarHBondContact O-N 3.31Å
148S90.3Very high92.7Very high12 Ų1237.4 Ų37.48%0.08420%0.199CC..  trans51.638.4175.7-58.90000114.3E141 L143 E144 G150 F151E141-S148 VanDerWaalsContact CD-OG 3.25Å; E141-S148 VanDerWaalsContact OE1-CB 3.27Å; E141-S148 WeakPolarHBondContact OE1-CB 3.49Å; E141-S148 PolarHBondContact OE1-OG 3.38Å; E141-S148 VanDerWaalsContact OE2-CA 3.29Å; E141-S148 WeakPolarHBondContact OE2-CA 3.16Å; E141-S148 VanDerWaalsContact OE2-CB 3.31Å; E141-S148 WeakPolarHBondContact OE2-CB 3.21Å; E141-S148 PolarHBondContact OE2-OG 3.27Å; L143-S148 WeakPolarHBondContact O-CA 3.39Å; L143-S148 PolarHBondContact O-N 2.79Å; E144-S148 WeakPolarHBondContact CA-OG 3.41Å; S148-G150 PolarHBondContact O-N 2.7Å; S148-F151 VanDerWaalsContact O-CB 3.26Å; S148-F151 WeakPolarHBondContact O-CB 3.31Å; S148-F151 PolarHBondContact O-N 3.19Å
149Q85.6Confident92.7Very high125 Ų12540.3 Ų40.358%0.58421%0.212SC*.THydrogen-bonded Turntrans-57.3124-172.5-172.8179.28.300111.5Q47 L143 G147 F151Q47-Q149 PolarHBondContact NE2-O 3.25Å; L143-Q149 HydrophobicContact CD1-CB 4.48Å; G147-Q149 VanDerWaalsContact C-N 3.25Å; G147-Q149 PolarHBondContact O-N 3.31Å; Q149-F151 PolarHBondContact O-N 3.45Å
150G86.7Confident92.7Very high27 Ų2747 Ų4728%0.27825%0.248SC..THydrogen-bonded Turntrans81.4-6.1178.600000114.8S148 E153 V154S148-G150 PolarHBondContact O-N 2.7Å; G150-E153 WeakPolarHBondContact CA-OE2 3.38Å; G150-V154 WeakPolarHBondContact O-CG2 3.33Å; G150-V154 PolarHBondContact O-N 3.12Å
151F91.8Very high92.6Very high0 Ų051.1 Ų51.10%027%0.27CS..Hα-helixtrans-73-43.6-175.9-174.4-131000112.2I58 Y75 V139 E141 S148 Q149 E153 V154 L155 V402I58-F151 HydrophobicContact CD1-CD2 3.66Å; I58-F151 HydrophobicContact CD1-CE2 4.25Å; I58-F151 HydrophobicContact CG1-CD2 4Å; I58-F151 HydrophobicContact CG1-CE2 4.36Å; I58-F151 HydrophobicContact CG2-CD2 4.25Å; I58-F151 HydrophobicContact CG2-CE2 3.77Å; Y75-F151 AromaticContact CD2-CE1 3.83Å; Y75-F151 HydrophobicContact CD2-CE1 3.83Å; Y75-F151 AromaticContact CD2-CZ 3.83Å; Y75-F151 HydrophobicContact CD2-CZ 3.83Å; Y75-F151 HydrophobicContact CE2-CD1 4.45Å; Y75-F151 AromaticContact CE2-CE1 3.42Å; Y75-F151 HydrophobicContact CE2-CE1 3.42Å; Y75-F151 VanDerWaalsContact CE2-CE1 3.42Å; Y75-F151 AromaticContact CE2-CZ 3.73Å; Y75-F151 HydrophobicContact CE2-CZ 3.73Å; V139-F151 HydrophobicContact CG2-CE2 3.58Å; V139-F151 HydrophobicContact CG2-CZ 3.61Å; E141-F151 HydrophobicContact CB-CD2 4.04Å; E141-F151 HydrophobicContact CB-CE2 4.07Å; E141-F151 HydrophobicContact CB-CG 4.32Å; E141-F151 HydrophobicContact CB-CZ 4.33Å; E141-F151 HydrophobicContact CG-CD1 4.41Å; E141-F151 HydrophobicContact CG-CE1 4.4Å; E141-F151 WeakPolarHBondContact OE1-CD1 3.3Å; E141-F151 WeakPolarHBondContact OE1-CE1 2.99Å; S148-F151 VanDerWaalsContact O-CB 3.26Å; S148-F151 WeakPolarHBondContact O-CB 3.31Å; S148-F151 PolarHBondContact O-N 3.19Å; Q149-F151 PolarHBondContact O-N 3.45Å; F151-E153 VanDerWaalsContact C-N 3.33Å; F151-E153 PolarHBondContact O-N 3.45Å; F151-V154 PolarHBondContact O-N 3.06Å; F151-V154 VanDerWaalsContact O-N 3.14Å; F151-L155 HydrophobicContact CD1-CD1 4.11Å; F151-L155 HydrophobicContact CE1-CD1 3.8Å; F151-L155 HydrophobicContact CE1-CG 4.41Å; F151-L155 HydrophobicContact CE2-CD1 4.48Å; F151-L155 HydrophobicContact CE2-CD2 4.27Å; F151-L155 HydrophobicContact CE2-CG 4.25Å; F151-L155 HydrophobicContact CZ-CD1 3.97Å; F151-L155 HydrophobicContact CZ-CD2 4.16Å; F151-L155 HydrophobicContact CZ-CG 4.18Å; F151-L155 PolarHBondContact O-N 2.91Å; F151-V402 HydrophobicContact CD1-CB 4.16Å; F151-V402 HydrophobicContact CD1-CG2 3.59Å; F151-V402 HydrophobicContact CE1-CB 3.99Å; F151-V402 HydrophobicContact CE1-CG1 4.28Å; F151-V402 HydrophobicContact CE1-CG2 3.22Å; F151-V402 HydrophobicContact CZ-CG2 4.29Å
152D91.8Very high92.6Very high58 Ų5852.7 Ų52.731%0.3128%0.276SS..Hα-helixtrans-56.4-46.6176.7-80.8-5.2000111.2V154 L155 Y156 T405D152-V154 VanDerWaalsContact C-N 3.29Å; D152-V154 PolarHBondContact O-N 3.1Å; D152-L155 PolarHBondContact O-N 3.49Å; D152-L155 VanDerWaalsContact O-N 3.13Å; D152-Y156 WeakPolarHBondContact O-CD2 3.1Å; D152-Y156 PolarHBondContact O-N 2.98Å; D152-T405 HydrophobicContact CB-CG2 4.18Å; D152-T405 VanDerWaalsContact CG-OG1 3.25Å; D152-T405 VanDerWaalsContact OD1-CB 3.28Å; D152-T405 WeakPolarHBondContact OD1-CB 3.39Å; D152-T405 VanDerWaalsContact OD1-CG2 3.27Å; D152-T405 WeakPolarHBondContact OD1-CG2 3.44Å; D152-T405 PolarHBondContact OD1-OG1 2.81Å; D152-T405 PolarHBondContact OD2-OG1 3.03Å
153E92.1Very high92.7Very high120 Ų12052.7 Ų52.756%0.56128%0.276SS*.Hα-helixtrans-58-41.7178.5-68.182.6175.200111.8G150 F151 Y156 E157G150-E153 WeakPolarHBondContact CA-OE2 3.38Å; F151-E153 VanDerWaalsContact C-N 3.33Å; F151-E153 PolarHBondContact O-N 3.45Å; E153-Y156 PolarHBondContact O-N 3.39Å; E153-E157 WeakPolarHBondContact O-CG 3.49Å; E153-E157 PolarHBondContact O-N 3.33Å
154V92.2Very high92.9Very high26 Ų2656.6 Ų56.616%0.15830%0.301CS..Hα-helixtrans-67.5-38.3177.8175.60000111.4I58 F60 G150 F151 D152 E157 K158I58-V154 HydrophobicContact CD1-CB 3.87Å; I58-V154 HydrophobicContact CD1-CG1 3.85Å; I58-V154 HydrophobicContact CD1-CG2 3.81Å; F60-V154 HydrophobicContact CE2-CG1 3.95Å; F60-V154 HydrophobicContact CZ-CG1 3.67Å; G150-V154 WeakPolarHBondContact O-CG2 3.33Å; G150-V154 PolarHBondContact O-N 3.12Å; F151-V154 PolarHBondContact O-N 3.06Å; F151-V154 VanDerWaalsContact O-N 3.14Å; D152-V154 VanDerWaalsContact C-N 3.29Å; D152-V154 PolarHBondContact O-N 3.1Å; V154-E157 PolarHBondContact O-N 2.89Å; V154-K158 PolarHBondContact O-N 3.37Å
155L94.4Very high93Very high0 Ų058.9 Ų58.90%032%0.316CS..Hα-helixtrans-65.6-41174.5-68.7178.9000111.9V139 F151 D152 K158 K159 L163 V402 T405 L406V139-L155 HydrophobicContact CG2-CD2 4.32Å; F151-L155 HydrophobicContact CD1-CD1 4.11Å; F151-L155 HydrophobicContact CE1-CD1 3.8Å; F151-L155 HydrophobicContact CE1-CG 4.41Å; F151-L155 HydrophobicContact CE2-CD1 4.48Å; F151-L155 HydrophobicContact CE2-CD2 4.27Å; F151-L155 HydrophobicContact CE2-CG 4.25Å; F151-L155 HydrophobicContact CZ-CD1 3.97Å; F151-L155 HydrophobicContact CZ-CD2 4.16Å; F151-L155 HydrophobicContact CZ-CG 4.18Å; F151-L155 PolarHBondContact O-N 2.91Å; D152-L155 PolarHBondContact O-N 3.49Å; D152-L155 VanDerWaalsContact O-N 3.13Å; L155-K158 CarbonylContact O-C 3.42Å; L155-K158 PolarHBondContact O-N 3.01Å; L155-K158 VanDerWaalsContact O-N 3.12Å; L155-K159 PolarHBondContact O-N 2.75Å; L155-L163 WeakPolarHBondContact O-CD1 3.47Å; L155-V402 HydrophobicContact CD1-CG2 3.39Å; L155-T405 HydrophobicContact CB-CG2 4.23Å; L155-T405 HydrophobicContact CD1-CG2 3.92Å; L155-L406 HydrophobicContact CD1-CD2 3.8Å; L155-L406 HydrophobicContact CD1-CG 4.14Å; L155-L406 HydrophobicContact CD2-CD2 4.04Å
156Y95.2Very high93.2Very high100 Ų10057.9 Ų57.939%0.39231%0.312SS..Hα-helixtrans-65.2-37.2174.5-83.1-69.1000112.6D152 E153 K158 K159 T405 E408D152-Y156 WeakPolarHBondContact O-CD2 3.1Å; D152-Y156 PolarHBondContact O-N 2.98Å; E153-Y156 PolarHBondContact O-N 3.39Å; Y156-K158 VanDerWaalsContact C-N 3.26Å; Y156-K158 PolarHBondContact O-N 3.32Å; Y156-K159 HydrophobicContact CD1-CD 4.32Å; Y156-K159 VanDerWaalsContact O-CB 3.27Å; Y156-K159 WeakPolarHBondContact O-CB 3.24Å; Y156-K159 PolarHBondContact O-N 3.38Å; Y156-T405 HydrophobicContact CD2-CG2 4.45Å; Y156-T405 HydrophobicContact CE2-CG2 3.97Å; Y156-E408 PolarHBondContact OH-OE2 3.49Å
157E95Very high93.6Very high114 Ų11457.3 Ų57.353%0.53330%0.304SS..Hα-helixtrans-61.5-36.5171.2-74.9-178.9174.400111.1R48 E153 V154R48-E157 IonicContact CZ-OE1 3.63Å; R48-E157 IonicContact NH2-OE1 3.45Å; R48-E157 PolarHBondContact NH2-OE1 3.13Å; R48-E157 IonicContact NH2-OE2 3.92Å; E153-E157 WeakPolarHBondContact O-CG 3.49Å; E153-E157 PolarHBondContact O-N 3.33Å; V154-E157 PolarHBondContact O-N 2.89Å
158K94.3Very high94.2Very high37 Ų3756.8 Ų56.816%0.16129%0.29CS..THydrogen-bonded Turntrans-85.7-3.7-180-73.6-177.2178.2-66.50116F60 V154 L155 Y156 N160 D161 W162 L163F60-K158 HydrophobicContact CD1-CD 3.8Å; F60-K158 HydrophobicContact CE1-CD 3.26Å; F60-K158 VanDerWaalsContact CE1-CE 3.41Å; F60-K158 HydrophobicContact CE2-CD 4.15Å; F60-K158 VanDerWaalsContact CE2-CE 3.41Å; F60-K158 HydrophobicContact CG-CD 4.46Å; F60-K158 HydrophobicContact CZ-CD 3.48Å; F60-K158 VanDerWaalsContact CZ-CD 3.48Å; V154-K158 PolarHBondContact O-N 3.37Å; L155-K158 CarbonylContact O-C 3.42Å; L155-K158 PolarHBondContact O-N 3.01Å; L155-K158 VanDerWaalsContact O-N 3.12Å; Y156-K158 VanDerWaalsContact C-N 3.26Å; Y156-K158 PolarHBondContact O-N 3.32Å; K158-N160 VanDerWaalsContact C-N 3.34Å; K158-N160 PolarHBondContact O-N 2.99Å; K158-D161 WeakPolarHBondContact CA-OD1 3.4Å; K158-D161 PolarHBondContact O-N 2.82Å; K158-W162 HydrophobicContact CB-CB 4.34Å; K158-W162 HydrophobicContact CD-CB 4.42Å; K158-W162 HydrophobicContact CD-CD2 4.44Å; K158-W162 HydrophobicContact CD-CE3 4.1Å; K158-W162 HydrophobicContact CG-CB 4.41Å; K158-W162 PolarHBondContact O-N 3.08Å; K158-L163 HydrophobicContact CB-CD1 4.27Å; K158-L163 HydrophobicContact CB-CG 4.19Å; K158-L163 WeakPolarHBondContact O-CB 3.27Å; K158-L163 WeakPolarHBondContact O-CG 3.28Å; K158-L163 PolarHBondContact O-N 3.21Å; K158-L163 VanDerWaalsContact O-N 3.08Å
159K96.1Very high94.6Very high73 Ų7356.2 Ų56.232%0.31729%0.286SS..THydrogen-bonded Turntrans-57.5-42.8-174.6172.2162.7-172.4160.80113.3L155 Y156 E408 C409L155-K159 PolarHBondContact O-N 2.75Å; Y156-K159 HydrophobicContact CD1-CD 4.32Å; Y156-K159 VanDerWaalsContact O-CB 3.27Å; Y156-K159 WeakPolarHBondContact O-CB 3.24Å; Y156-K159 PolarHBondContact O-N 3.38Å; K159-E408 PolarHBondContact NZ-O 2.92Å; K159-C409 HydrophobicContact CB-CB 4.45Å; K159-C409 WeakPolarHBondContact CG-O 3.19Å
160N96.4Very high95.2Very high140 Ų14050.2 Ų50.275%0.74926%0.258SS*.THydrogen-bonded Turntrans-98.47.3-172.4-61.2-51000113.7K158K158-N160 VanDerWaalsContact C-N 3.34Å; K158-N160 PolarHBondContact O-N 2.99Å
161D95.3Very high95.8Very high94 Ų9449 Ų4950%0.50325%0.245SC..THydrogen-bonded Turntrans-131.3-85.5177.166.1-9.6000112.6K158 L163 T164K158-D161 WeakPolarHBondContact CA-OD1 3.4Å; K158-D161 PolarHBondContact O-N 2.82Å; D161-L163 PolarHBondContact O-N 2.73Å; D161-T164 WeakPolarHBondContact O-CB 3.29Å; D161-T164 WeakPolarHBondContact O-CG2 3.39Å; D161-T164 PolarHBondContact O-N 2.92Å; D161-T164 PolarHBondContact O-OG1 3.07Å
162W95.1Very high96.1Very high32 Ų3249 Ų4912%0.12125%0.245CC..G310 helixtrans-67.4-33.9-171-173.879.6000112F60 D62 L73 K137 F138 V139 K158 T164F60-W162 HydrophobicContact CB-CZ2 4.27Å; F60-W162 HydrophobicContact CD1-CD2 4.25Å; F60-W162 AromaticContact CD1-CE3 3.91Å; F60-W162 HydrophobicContact CD1-CE3 3.91Å; F60-W162 AromaticContact CD1-CH2 3.61Å; F60-W162 HydrophobicContact CD1-CH2 3.61Å; F60-W162 AromaticContact CD1-CZ2 3.95Å; F60-W162 HydrophobicContact CD1-CZ2 3.95Å; F60-W162 AromaticContact CD1-CZ3 3.58Å; F60-W162 HydrophobicContact CD1-CZ3 3.58Å; F60-W162 HydrophobicContact CE1-CE3 4.16Å; F60-W162 HydrophobicContact CE1-CH2 4.32Å; F60-W162 AromaticContact CE1-CZ3 3.88Å; F60-W162 HydrophobicContact CE1-CZ3 3.88Å; D62-W162 VanDerWaalsContact CG-NE1 3.34Å; D62-W162 PolarHBondContact OD1-NE1 3.29Å; D62-W162 PolarHBondContact OD2-NE1 3.26Å; L73-W162 HydrophobicContact CD1-CH2 3.68Å; L73-W162 HydrophobicContact CD1-CZ3 3.83Å; K137-W162 HydrophobicContact CB-CH2 3.83Å; K137-W162 HydrophobicContact CB-CZ2 3.83Å; K137-W162 HydrophobicContact CD-CD2 4.27Å; K137-W162 HydrophobicContact CD-CH2 4.14Å; K137-W162 HydrophobicContact CD-CZ2 3.82Å; K137-W162 WeakPolarHBondContact CE-O 3.38Å; K137-W162 HydrophobicContact CG-CH2 4.46Å; K137-W162 HydrophobicContact CG-CZ2 4.07Å; K137-W162 PolarHBondContact NZ-O 3.15Å; F138-W162 WeakPolarHBondContact O-CH2 3.28Å; V139-W162 HydrophobicContact CB-CH2 4.3Å; V139-W162 HydrophobicContact CB-CZ3 4.41Å; K158-W162 HydrophobicContact CB-CB 4.34Å; K158-W162 HydrophobicContact CD-CB 4.42Å; K158-W162 HydrophobicContact CD-CD2 4.44Å; K158-W162 HydrophobicContact CD-CE3 4.1Å; K158-W162 HydrophobicContact CG-CB 4.41Å; K158-W162 PolarHBondContact O-N 3.08Å; W162-T164 VanDerWaalsContact C-N 3.34Å
163L97Very high96.4Very high2 Ų246.7 Ų46.71%0.0123%0.233CC..G310 helixtrans-79.8-13.1178.5-66.2177.2000113.7L73 L155 K158 D161 T165 V166 C409 T410L73-L163 HydrophobicContact CD2-CD2 3.73Å; L155-L163 WeakPolarHBondContact O-CD1 3.47Å; K158-L163 HydrophobicContact CB-CD1 4.27Å; K158-L163 HydrophobicContact CB-CG 4.19Å; K158-L163 WeakPolarHBondContact O-CB 3.27Å; K158-L163 WeakPolarHBondContact O-CG 3.28Å; K158-L163 PolarHBondContact O-N 3.21Å; K158-L163 VanDerWaalsContact O-N 3.08Å; D161-L163 PolarHBondContact O-N 2.73Å; L163-T165 PolarHBondContact O-N 3.18Å; L163-V166 HydrophobicContact CD2-CG2 4.42Å; L163-V166 WeakPolarHBondContact O-CB 3.17Å; L163-V166 WeakPolarHBondContact O-CG2 3.27Å; L163-V166 PolarHBondContact O-N 3Å; L163-C409 HydrophobicContact CD1-CB 3.72Å; L163-T410 HydrophobicContact CB-CG2 4.3Å; L163-T410 HydrophobicContact CD1-CG2 4.45Å; L163-T410 HydrophobicContact CD2-CG2 4.1Å
164T96.7Very high96.6Very high88 Ų8841.1 Ų41.154%0.5421%0.207SC..G310 helixtrans-66.1-24-17362.60000114.3D161 W162D161-T164 WeakPolarHBondContact O-CB 3.29Å; D161-T164 WeakPolarHBondContact O-CG2 3.39Å; D161-T164 PolarHBondContact O-N 2.92Å; D161-T164 PolarHBondContact O-OG1 3.07Å; W162-T164 VanDerWaalsContact C-N 3.34Å
165T96.6Very high96.7Very high72 Ų7242 Ų4244%0.44221%0.208SC..G310 helixtrans-90.9-2.1-178.870.20000113.3T71 K137 L163T71-T165 WeakPolarHBondContact CB-O 3.39Å; T71-T165 PolarHBondContact OG1-O 3.33Å; K137-T165 WeakPolarHBondContact CE-OG1 3.32Å; K137-T165 PolarHBondContact NZ-OG1 2.95Å; L163-T165 PolarHBondContact O-N 3.18Å
166V98.4Very high96.6Very high2 Ų242.1 Ų42.11%0.01221%0.208CC..  trans-72133.4179.81770000109.9L73 K137 L163 Y168 V169 T410 K412L73-V166 HydrophobicContact CB-CG1 3.68Å; L73-V166 HydrophobicContact CB-CG2 3.94Å; L73-V166 HydrophobicContact CD2-CG2 4.36Å; K137-V166 HydrophobicContact CD-CG2 4Å; L163-V166 HydrophobicContact CD2-CG2 4.42Å; L163-V166 WeakPolarHBondContact O-CB 3.17Å; L163-V166 WeakPolarHBondContact O-CG2 3.27Å; L163-V166 PolarHBondContact O-N 3Å; V166-Y168 WeakPolarHBondContact CG1-O 3.48Å; V166-V169 HydrophobicContact CG1-CG2 4.13Å; V166-T410 HydrophobicContact CB-CG2 4.37Å; V166-T410 HydrophobicContact CG1-CG2 4.23Å; V166-K412 HydrophobicContact CG1-CG 4.42Å; V166-K412 WeakPolarHBondContact O-CE 3.49Å; V166-K412 WeakPolarHBondContact O-CG 3.44Å
167D98.4Very high96.2Very high42 Ų4238 Ų3823%0.22519%0.194CC..  trans-100.5-35.6172.6-71.1-87.3000112.2K70 T71 K412K70-D167 WeakPolarHBondContact CA-OD2 3.36Å; K70-D167 HydrophobicContact CB-CB 4.44Å; K70-D167 HydrophobicContact CD-CB 4.05Å; K70-D167 VanDerWaalsContact CD-CG 3.46Å; K70-D167 WeakPolarHBondContact CD-OD1 3.36Å; K70-D167 WeakPolarHBondContact CD-OD2 3.43Å; K70-D167 IonicContact NZ-OD1 2.93Å; K70-D167 PolarHBondContact NZ-OD1 3.24Å; T71-D167 PolarHBondContact N-OD2 2.63Å; T71-D167 PolarHBondContact O-N 2.9Å; D167-K412 WeakPolarHBondContact O-CB 3.18Å
168Y98.6Very high95.7Very high28 Ų2832.8 Ų32.811%0.1117%0.17CC..EExtended strand (participates in β ladder)trans-145.4152.6-176.4-55.2-74.7000111.2K70 T71 V72 L73 V166 K374 N375 I452K70-Y168 HydrophobicContact CB-CE2 4.49Å; K70-Y168 HydrophobicContact CD-CE2 4.41Å; K70-Y168 HydrophobicContact CG-CE2 4.34Å; T71-Y168 PolarHBondContact O-N 2.93Å; V72-Y168 WeakPolarHBondContact CA-O 3.35Å; L73-Y168 PolarHBondContact N-O 3.14Å; V166-Y168 WeakPolarHBondContact CG1-O 3.48Å; Y168-K374 HydrophobicContact CE1-CB 4.36Å; Y168-N375 HydrophobicContact CD1-CB 3.9Å; Y168-N375 HydrophobicContact CE1-CB 4.44Å; Y168-I452 HydrophobicContact CD1-CD1 4.18Å; Y168-I452 HydrophobicContact CD2-CD1 3.72Å; Y168-I452 HydrophobicContact CD2-CG1 3.54Å; Y168-I452 HydrophobicContact CE1-CD1 4.12Å; Y168-I452 HydrophobicContact CE2-CD1 3.62Å; Y168-I452 HydrophobicContact CE2-CG1 3.73Å; Y168-I452 HydrophobicContact CG-CD1 3.98Å; Y168-I452 HydrophobicContact CG-CG1 4.09Å
169V98.7Very high95.5Very high0 Ų031.9 Ų31.90%017%0.168CC..EExtended strand (participates in β ladder)trans-118.9135.2175.4-175.50000109.7L73 V166 N375 L406 T410 N413 V414 M415L73-V169 HydrophobicContact CB-CG2 4.27Å; L73-V169 HydrophobicContact CD2-CG1 4.5Å; L73-V169 HydrophobicContact CD2-CG2 4.24Å; L73-V169 CarbonylContact O-C 3.45Å; L73-V169 WeakPolarHBondContact O-CA 3.28Å; V166-V169 HydrophobicContact CG1-CG2 4.13Å; V169-N375 PolarHBondContact O-ND2 3.04Å; V169-L406 HydrophobicContact CG1-CB 4.3Å; V169-L406 HydrophobicContact CG1-CD1 4.09Å; V169-T410 HydrophobicContact CG2-CG2 4.08Å; V169-N413 PolarHBondContact N-O 3.17Å; V169-N413 VanDerWaalsContact N-O 3.1Å; V169-V414 HydrophobicContact CB-CB 4.31Å; V169-V414 HydrophobicContact CB-CG1 4.42Å; V169-V414 HydrophobicContact CB-CG2 3.81Å; V169-V414 HydrophobicContact CG1-CG1 4.2Å; V169-V414 HydrophobicContact CG1-CG2 4.09Å; V169-V414 HydrophobicContact CG2-CG2 4.17Å; V169-M415 PolarHBondContact O-N 3.36Å
170C98.7Very high95.1Very high0 Ų034.5 Ų34.50%018%0.181CC..EExtended strand (participates in β ladder)trans-125.7130.6176.2-171.60000109.9V72 L73 V74 Y75 M415 Y448V72-C170 HydrophobicContact CG1-CB 4.21Å; L73-C170 PolarHBondContact O-N 3.32Å; V74-C170 WeakPolarHBondContact CA-O 3.07Å; Y75-C170 PolarHBondContact N-O 3.21Å; C170-M415 WeakPolarHBondContact CA-O 3.5Å; C170-Y448 HydrophobicContact CB-CE1 4Å
171I98.6Very high94.8Very high0 Ų030.1 Ų30.10%016%0.156CC..EExtended strand (participates in β ladder)trans-120.3137.6174.9-59179.9000107.6Y75 D173 I400 A403 L406 V414 M415 L416 L417Y75-I171 HydrophobicContact CD1-CD1 4Å; Y75-I171 HydrophobicContact CD1-CG1 3.98Å; Y75-I171 HydrophobicContact CD1-CG2 3.93Å; Y75-I171 HydrophobicContact CE1-CG2 4.46Å; I171-D173 HydrophobicContact CG2-CB 3.8Å; I171-I400 HydrophobicContact CG2-CD1 4.34Å; I171-A403 HydrophobicContact CD1-CB 3.96Å; I171-L406 HydrophobicContact CD1-CD1 4.06Å; I171-V414 HydrophobicContact CD1-CG1 3.86Å; I171-V414 HydrophobicContact CG1-CG1 4.26Å; I171-M415 PolarHBondContact N-O 2.94Å; I171-L416 HydrophobicContact CB-CD1 3.86Å; I171-L416 HydrophobicContact CB-CG 3.97Å; I171-L416 HydrophobicContact CD1-CD1 4.05Å; I171-L416 HydrophobicContact CG1-CD1 4.34Å; I171-L416 HydrophobicContact CG2-CD1 4.34Å; I171-L416 HydrophobicContact CG2-CG 4.14Å; I171-L416 CarbonylContact O-C 3.22Å; I171-L416 VanDerWaalsContact O-CA 3.32Å; I171-L416 WeakPolarHBondContact O-CA 3.24Å; I171-L417 PolarHBondContact O-N 2.83Å
172C98.1Very high94.8Very high1 Ų125.7 Ų25.71%0.00713%0.132CC..  trans-123.640.2-177.4-66.70000112.5P114 L419 L445P114-C172 HydrophobicContact CB-CB 3.82Å; P114-C172 WeakPolarHBondContact CB-O 3.22Å; P114-C172 WeakPolarHBondContact CG-O 3.38Å; C172-L419 HydrophobicContact CB-CG 4.47Å; C172-L445 VanDerWaalsContact SG-CD2 3.54Å
173D97.9Very high94.8Very high10 Ų1024.2 Ų24.25%0.05313%0.127CC..  trans-116.146.1-165.9-179.219.2000111H77 I171 I400H77-D173 IonicContact CD2-OD1 2.64Å; H77-D173 IonicContact CD2-OD2 3.16Å; H77-D173 PolarHBondContact CD2-OD2 3.27Å; H77-D173 VanDerWaalsContact CD2-OD2 3.3Å; H77-D173 IonicContact NE2-OD1 2.79Å; H77-D173 PolarHBondContact NE2-OD1 3.37Å; H77-D173 IonicContact NE2-OD2 3.33Å; I171-D173 HydrophobicContact CG2-CB 3.8Å; D173-I400 HydrophobicContact CB-CD1 3.94Å; D173-I400 VanDerWaalsContact O-CD1 3.3Å; D173-I400 WeakPolarHBondContact O-CD1 3.2Å
174N96.2Very high94.8Very high2 Ų224.1 Ų24.11%0.01113%0.126CC..  trans-162.4167.5-167.698.2-78.8000113.3T185 E396 L416 A418 L419N174-T185 WeakPolarHBondContact ND2-CB 3.49Å; N174-T185 PolarHBondContact ND2-OG1 3.27Å; N174-E396 WeakPolarHBondContact CB-OE2 3.36Å; N174-E396 PolarHBondContact ND2-OE2 3.32Å; N174-L416 HydrophobicContact CB-CD2 4.14Å; N174-A418 WeakPolarHBondContact O-CA 3.48Å; N174-A418 WeakPolarHBondContact O-CB 3.5Å; N174-A418 VanDerWaalsContact OD1-CA 3.3Å; N174-A418 WeakPolarHBondContact OD1-CA 3.3Å; N174-A418 WeakPolarHBondContact OD1-CB 3.43Å; N174-A418 PolarHBondContact OD1-N 3.21Å; N174-L419 PolarHBondContact O-N 2.97Å
175Y94.8Very high94.7Very high45 Ų4520 Ų2018%0.17610%0.1CC..BIsolated β-bridgetrans-119.6155.4-165.8-31.4-72.3000113.5T109 E396 A426T109-Y175 HydrophobicContact CG2-CD1 4.4Å; T109-Y175 HydrophobicContact CG2-CE1 3.79Å; Y175-E396 VanDerWaalsContact CD2-OE1 3.31Å; Y175-E396 WeakPolarHBondContact CD2-OE1 3.46Å; Y175-A426 HydrophobicContact CE1-CB 3.95Å; Y175-A426 HydrophobicContact CE2-CB 4Å; Y175-A426 WeakPolarHBondContact OH-CB 3.45Å
176W92.9Very high94.6Very high3 Ų316.7 Ų16.71%0.0118%0.08CC..  trans-64156.4165.4-58-4.5000110.5G178 E180 P182 Y387 A418 G420 G422W176-G178 WeakPolarHBondContact CB-O 3.31Å; W176-E180 WeakPolarHBondContact CZ3-O 3.46Å; W176-P182 HydrophobicContact CD2-CB 4.33Å; W176-P182 VanDerWaalsContact CE2-CA 3.46Å; W176-P182 HydrophobicContact CH2-CB 4.19Å; W176-P182 HydrophobicContact CZ2-CB 3.64Å; W176-Y387 AromaticContact CH2-CD1 3.94Å; W176-Y387 HydrophobicContact CH2-CD1 3.94Å; W176-Y387 AromaticContact CH2-CE1 3.42Å; W176-Y387 HydrophobicContact CH2-CE1 3.42Å; W176-Y387 VanDerWaalsContact CH2-CE1 3.42Å; W176-Y387 AromaticContact CH2-CZ 3.9Å; W176-Y387 HydrophobicContact CZ2-CD1 4.35Å; W176-Y387 AromaticContact CZ2-CE1 3.66Å; W176-Y387 HydrophobicContact CZ2-CE1 3.66Å; W176-Y387 HydrophobicContact CZ2-CE2 4.28Å; W176-Y387 AromaticContact CZ2-CZ 3.6Å; W176-A418 PolarHBondContact NE1-O 3.36Å; W176-G420 VanDerWaalsContact CG-O 3.32Å; W176-G420 PolarHBondContact N-O 3.44Å; W176-G422 WeakPolarHBondContact O-CA 3.45Å; W176-G422 PolarHBondContact O-N 3.41Å
177V86.1Confident94.3Very high14 Ų1416.6 Ų16.69%0.0858%0.079CC..SBendtrans-72.2-40.5177.6179.30000111.3C183 F260 Y267 Y287 T394V177-C183 PolarHBondContact N-SG 3.2Å; V177-F260 HydrophobicContact CG1-CB 3.78Å; V177-F260 HydrophobicContact CG1-CD1 4.33Å; V177-F260 HydrophobicContact CG1-CD2 3.55Å; V177-F260 HydrophobicContact CG1-CE2 4.18Å; V177-F260 HydrophobicContact CG1-CG 3.62Å; V177-Y267 PolarHBondContact O-OH 3.43Å; V177-Y287 HydrophobicContact CB-CE2 4.02Å; V177-Y287 HydrophobicContact CG1-CD2 3.62Å; V177-Y287 HydrophobicContact CG1-CE2 3.29Å; V177-Y287 HydrophobicContact CG1-CG 4.44Å; V177-Y287 HydrophobicContact CG2-CE1 4.33Å; V177-Y287 HydrophobicContact CG2-CE2 3.47Å; V177-Y287 VanDerWaalsContact CG2-CE2 3.47Å; V177-Y287 WeakPolarHBondContact CG2-OH 3.38Å; V177-T394 HydrophobicContact CG2-CG2 3.55Å
178G85.5Confident94.1Very high3 Ų314.7 Ų14.73%0.0317%0.069CC..SBendtrans-112.9-162.2173.900000111.6W176 E265 G422W176-G178 WeakPolarHBondContact CB-O 3.31Å; G178-E265 WeakPolarHBondContact CA-OE1 3.43Å; G178-G422 PolarHBondContact O-N 3.18Å
179C88.7Confident93.7Very high18 Ų1813.6 Ų13.612%0.1227%0.065CC..SBendtrans-99.7-15.7179.4-560000113.8E265C179-E265 PolarHBondContact N-OE1 2.67Å; C179-E265 PolarHBondContact SG-OE2 3.29Å
180E87.5Confident93.4Very high128 Ų12813.6 Ų13.660%0.5987%0.065SC*.SBendtrans-107.9-52.7-165.8-63.6-57146.500113.9W176W176-E180 WeakPolarHBondContact CZ3-O 3.46Å
181K91.6Very high93.1Very high49 Ų4914.5 Ų14.521%0.2137%0.07CC..SBendtrans-93.1129.6-175.7-167.5177.3178.2-168.80111.6D259 E390 D392K181-D259 HydrophobicContact CB-CB 3.98Å; K181-D259 HydrophobicContact CD-CB 3.44Å; K181-D259 VanDerWaalsContact CD-CB 3.44Å; K181-D259 HydrophobicContact CG-CB 4.37Å; K181-E390 WeakPolarHBondContact CE-O 3.47Å; K181-D392 WeakPolarHBondContact CD-OD2 3.41Å; K181-D392 WeakPolarHBondContact CE-OD1 3.37Å; K181-D392 VanDerWaalsContact NZ-CG 3.3Å; K181-D392 IonicContact NZ-OD1 3.55Å; K181-D392 PolarHBondContact NZ-OD1 2.95Å; K181-D392 IonicContact NZ-OD2 3.3Å; K181-D392 PolarHBondContact NZ-OD2 2.87Å
182P95.3Very high92.9Very high1 Ų114.5 Ų14.51%0.0067%0.07CC..  trans-68.5155.1178.529.2-35.3000112.8W176 M383 Y387 P391 D392W176-P182 HydrophobicContact CD2-CB 4.33Å; W176-P182 VanDerWaalsContact CE2-CA 3.46Å; W176-P182 HydrophobicContact CH2-CB 4.19Å; W176-P182 HydrophobicContact CZ2-CB 3.64Å; P182-M383 HydrophobicContact CB-CE 4.27Å; P182-M383 HydrophobicContact CB-SD 3.87Å; P182-M383 HydrophobicContact CG-SD 4.47Å; P182-Y387 HydrophobicContact CB-CD2 4.31Å; P182-Y387 HydrophobicContact CB-CG 4.48Å; P182-Y387 HydrophobicContact CG-CD2 4.2Å; P182-Y387 HydrophobicContact CG-CG 4.07Å; P182-P391 HydrophobicContact CB-CB 4.38Å; P182-P391 HydrophobicContact CG-CB 4.18Å; P182-P391 CarbonylContact O-C 3.4Å; P182-P391 WeakPolarHBondContact O-CA 3.34Å; P182-P391 VanDerWaalsContact O-CB 3.3Å; P182-P391 WeakPolarHBondContact O-CB 3.33Å; P182-D392 PolarHBondContact O-N 3.25Å
183C94.8Very high92.8Very high1 Ų115.9 Ų15.91%0.0078%0.075CC..EExtended strand (participates in β ladder)trans-129.6146.2-178.9-55.60000112.1V177 M383 D392 T394V177-C183 PolarHBondContact N-SG 3.2Å; C183-M383 WeakPolarHBondContact O-CE 3.23Å; C183-D392 CarbonylContact C-O 3.54Å; C183-D392 VanDerWaalsContact CA-O 3.26Å; C183-D392 WeakPolarHBondContact CA-O 3.47Å; C183-T394 HydrophobicContact CB-CG2 3.74Å
184I96.8Very high92.7Very high0 Ų015.4 Ų15.40%07%0.073CC..EExtended strand (participates in β ladder)trans-115127165.7-55.3179.4000107.8F376 K380 M383 P391 D392 L393 T394 M415 L416 L417I184-F376 HydrophobicContact CG2-CD1 3.48Å; I184-F376 VanDerWaalsContact CG2-CD1 3.48Å; I184-F376 HydrophobicContact CG2-CE1 3.59Å; I184-K380 HydrophobicContact CD1-CB 4.34Å; I184-K380 HydrophobicContact CD1-CG 3.75Å; I184-K380 VanDerWaalsContact CD1-N 3.27Å; I184-M383 HydrophobicContact CD1-SD 3.91Å; I184-M383 HydrophobicContact CG1-CE 3.94Å; I184-M383 HydrophobicContact CG1-SD 3.38Å; I184-M383 WeakPolarHBondContact CG1-SD 3.24Å; I184-P391 HydrophobicContact CD1-CB 4.49Å; I184-P391 HydrophobicContact CD1-CG 3.72Å; I184-P391 HydrophobicContact CG1-CB 4.15Å; I184-P391 HydrophobicContact CG1-CG 3.92Å; I184-D392 PolarHBondContact N-O 2.79Å; I184-L393 HydrophobicContact CB-CD2 4.15Å; I184-L393 HydrophobicContact CG2-CD2 4.49Å; I184-L393 WeakPolarHBondContact O-CA 2.99Å; I184-T394 PolarHBondContact O-N 2.57Å; I184-T394 PolarHBondContact O-OG1 3.13Å; I184-M415 HydrophobicContact CG2-CG 3.6Å; I184-M415 HydrophobicContact CG2-SD 3.72Å; I184-L416 WeakPolarHBondContact CG2-O 3.09Å; I184-L417 HydrophobicContact CD1-CD1 4.31Å; I184-L417 HydrophobicContact CG1-CD1 4.05Å
185T95.2Very high92.8Very high0 Ų017.2 Ų17.20%08%0.081CC..EExtended strand (participates in β ladder)trans-99.4126.1-172.1-60.20000110.9N174 G187 T394 E396 L416N174-T185 WeakPolarHBondContact ND2-CB 3.49Å; N174-T185 PolarHBondContact ND2-OG1 3.27Å; T185-G187 WeakPolarHBondContact CG2-O 3.43Å; T185-T394 CarbonylContact C-O 3.41Å; T185-T394 VanDerWaalsContact CA-O 3.22Å; T185-T394 WeakPolarHBondContact CA-O 3.22Å; T185-T394 PolarHBondContact OG1-OG1 3.43Å; T185-E396 HydrophobicContact CG2-CB 3.99Å; T185-L416 HydrophobicContact CG2-CB 4.32Å; T185-L416 HydrophobicContact CG2-CD2 4.12Å; T185-L416 PolarHBondContact N-O 2.91Å; T185-L416 WeakPolarHBondContact O-CB 3.44Å; T185-L416 PolarHBondContact O-N 3.1Å
186Y94.5Very high93Very high3 Ų315 Ų151%0.0127%0.073CC..EExtended strand (participates in β ladder)trans-1132.9-178.370.8-90.7000113.1L254 Y255 W367 L368 S369 F371 L393 T394 R395Y186-L254 HydrophobicContact CE1-CD1 4.14Å; Y186-Y255 PolarHBondContact OH-OH 2.89Å; Y186-Y255 VanDerWaalsContact OH-OH 3.12Å; Y186-W367 VanDerWaalsContact C-CZ3 3.46Å; Y186-L368 HydrophobicContact CD2-CD2 4.35Å; Y186-L368 HydrophobicContact CE2-CD2 4.36Å; Y186-L368 WeakPolarHBondContact O-CA 3.4Å; Y186-S369 PolarHBondContact O-N 3.37Å; Y186-F371 HydrophobicContact CD1-CD1 4.18Å; Y186-F371 AromaticContact CD2-CD1 3.6Å; Y186-F371 HydrophobicContact CD2-CD1 3.6Å; Y186-F371 HydrophobicContact CD2-CE1 4.18Å; Y186-F371 HydrophobicContact CE1-CD1 4.45Å; Y186-F371 AromaticContact CE2-CD1 3.9Å; Y186-F371 HydrophobicContact CE2-CD1 3.9Å; Y186-F371 HydrophobicContact CE2-CE1 4.02Å; Y186-F371 HydrophobicContact CG-CB 4.23Å; Y186-F371 AromaticContact CG-CD1 3.76Å; Y186-F371 HydrophobicContact CG-CD1 3.76Å; Y186-F371 HydrophobicContact CG-CG 4.39Å; Y186-L393 HydrophobicContact CD1-CB 4.04Å; Y186-L393 HydrophobicContact CE1-CB 4.04Å; Y186-T394 WeakPolarHBondContact CD1-O 3.19Å; Y186-T394 WeakPolarHBondContact CE1-O 3.24Å; Y186-T394 PolarHBondContact N-O 3.29Å; Y186-R395 HydrophobicContact CD1-CG 4.41Å; Y186-R395 HydrophobicContact CD2-CG 4.05Å; Y186-R395 HydrophobicContact CE1-CG 3.98Å; Y186-R395 HydrophobicContact CE2-CG 3.58Å; Y186-R395 HydrophobicContact CG-CG 4.44Å
187G92.6Very high93.3Very high0 Ų016.3 Ų16.30%08%0.079CC..EExtended strand (participates in β ladder)trans-162.1147.2176.200000113.9T185 W367 R395 E396T185-G187 WeakPolarHBondContact CG2-O 3.43Å; G187-W367 CarbonylContact C-O 3.57Å; G187-W367 WeakPolarHBondContact CA-O 3.29Å; G187-R395 CarbonylContact O-C 3.58Å; G187-R395 VanDerWaalsContact O-CA 3.23Å; G187-R395 WeakPolarHBondContact O-CA 3.3Å; G187-R395 WeakPolarHBondContact O-CB 3.2Å; G187-E396 PolarHBondContact O-N 3.42Å
188L92.7Very high93.9Very high2 Ų215.7 Ų15.71%0.018%0.075CC..EExtended strand (participates in β ladder)trans-127.1153.8178.9-69.9162000109W367 E396 I400 A403 L416L188-W367 HydrophobicContact CB-CB 4.4Å; L188-W367 HydrophobicContact CB-CE3 4.05Å; L188-W367 HydrophobicContact CD1-CE3 3.74Å; L188-W367 HydrophobicContact CD1-CZ3 4.28Å; L188-W367 HydrophobicContact CG-CE3 3.76Å; L188-W367 HydrophobicContact CG-CZ3 4.21Å; L188-W367 PolarHBondContact N-O 2.94Å; L188-W367 PolarHBondContact O-N 3.26Å; L188-E396 HydrophobicContact CD2-CB 4.04Å; L188-I400 HydrophobicContact CD1-CB 3.62Å; L188-I400 HydrophobicContact CD1-CD1 4.2Å; L188-I400 HydrophobicContact CD1-CG1 3.92Å; L188-I400 HydrophobicContact CD2-CD1 4.48Å; L188-I400 HydrophobicContact CD2-CG1 4.3Å; L188-A403 HydrophobicContact CD1-CB 3.93Å; L188-L416 HydrophobicContact CD1-CD1 4.47Å; L188-L416 HydrophobicContact CD1-CD2 3.71Å; L188-L416 HydrophobicContact CD2-CD2 3.91Å; L188-L416 HydrophobicContact CG-CD2 3.92Å
189R91.4Very high94.5Very high5 Ų516.9 Ų16.92%0.0198%0.082CC..  trans-77.8155.5169.7-71.4-162.8-176.7151.7-24110.9V289 R290 V293 R325 L326 V327 E396 G398 S399R189-V289 PolarHBondContact NH2-O 3.16Å; R189-R290 PolarHBondContact NE-O 3.42Å; R189-R290 PolarHBondContact NH1-O 2.96Å; R189-R290 PolarHBondContact NH2-O 3Å; R189-V293 PolarHBondContact NH2-O 3.27Å; R189-R325 HydrophobicContact CB-CB 4.36Å; R189-L326 CarbonylContact C-O 3.5Å; R189-L326 VanDerWaalsContact CA-O 3.24Å; R189-L326 WeakPolarHBondContact CA-O 3.28Å; R189-L326 WeakPolarHBondContact CB-O 3.49Å; R189-L326 WeakPolarHBondContact CG-O 3.22Å; R189-V327 HydrophobicContact CG-CG1 4.23Å; R189-E396 PolarHBondContact N-O 3.47Å; R189-G398 PolarHBondContact N-O 3.08Å; R189-S399 WeakPolarHBondContact O-CA 3.1Å; R189-S399 VanDerWaalsContact O-CB 3.22Å; R189-S399 WeakPolarHBondContact O-CB 2.98Å; R189-S399 PolarHBondContact O-OG 3.45Å
190G92.3Very high94.9Very high0 Ų017.7 Ų17.70%09%0.087CC..EExtended strand (participates in β ladder)trans-83.3-177.9162.700000111.1R325 L326 G364 P366 S399G190-R325 CarbonylContact O-C 3.46Å; G190-R325 WeakPolarHBondContact O-CA 3.28Å; G190-L326 PolarHBondContact N-O 3.24Å; G190-L326 PolarHBondContact O-N 2.97Å; G190-G364 CarbonylContact C-O 3.55Å; G190-G364 WeakPolarHBondContact CA-O 3.32Å; G190-P366 VanDerWaalsContact N-CA 3.34Å; G190-S399 PolarHBondContact O-OG 3.04Å
191L92.5Very high95.4Very high20 Ų2012.6 Ų12.611%0.1057%0.067CC..EExtended strand (participates in β ladder)trans-144.9139.4-179.1-176.265000109.3I324 H362 S363 G364L191-I324 CarbonylContact C-O 3.52Å; L191-I324 WeakPolarHBondContact CA-O 3.36Å; L191-H362 VanDerWaalsContact CD2-NE2 3.25Å; L191-H362 WeakPolarHBondContact CD2-NE2 3.46Å; L191-S363 CarbonylContact O-C 3.54Å; L191-S363 WeakPolarHBondContact O-CA 3.3Å; L191-S363 VanDerWaalsContact O-CB 3.23Å; L191-S363 WeakPolarHBondContact O-CB 3.13Å; L191-G364 PolarHBondContact N-O 2.92Å; L191-G364 PolarHBondContact O-N 3.26Å
192C94.2Very high95.6Very high0 Ų018.5 Ų18.50%010%0.101CC..EExtended strand (participates in β ladder)trans-125.7120.5158.8-75.60000107.8F194 S323 I324C192-F194 HydrophobicContact CB-CD2 4.37Å; C192-F194 HydrophobicContact CB-CE2 3.42Å; C192-F194 VanDerWaalsContact CB-CE2 3.42Å; C192-F194 HydrophobicContact CB-CZ 3.68Å; C192-S323 CarbonylContact O-C 3.46Å; C192-S323 VanDerWaalsContact O-CA 3.28Å; C192-S323 WeakPolarHBondContact O-CA 3.18Å; C192-I324 PolarHBondContact N-O 2.82Å; C192-I324 PolarHBondContact O-N 2.77Å
193Y95Very high95.7Very high30 Ų3024.9 Ų24.912%0.11813%0.13CC..EExtended strand (participates in β ladder)trans-100.8135.1177.7-158.2-78.9000110.7M195 E299 K321 H361 H362Y193-M195 HydrophobicContact CE1-CE 4.42Å; Y193-E299 WeakPolarHBondContact CE2-OE1 3.45Å; Y193-E299 WeakPolarHBondContact CE2-OE2 3.42Å; Y193-E299 PolarHBondContact OH-OE2 3.19Å; Y193-K321 HydrophobicContact CE1-CB 4Å; Y193-K321 HydrophobicContact CE1-CD 4.12Å; Y193-K321 HydrophobicContact CE1-CG 4.37Å; Y193-K321 WeakPolarHBondContact OH-CB 3.47Å; Y193-K321 WeakPolarHBondContact OH-CD 3.28Å; Y193-H361 HydrophobicContact CD1-CB 4.14Å; Y193-H361 PolarHBondContact O-N 2.79Å; Y193-H362 VanDerWaalsContact CB-CE1 3.41Å; Y193-H362 WeakPolarHBondContact CB-CE1 3.45Å; Y193-H362 WeakPolarHBondContact CB-O 3.37Å; Y193-H362 AromaticContact CD2-CE1 3.37Å; Y193-H362 WeakPolarHBondContact CD2-CE1 3.36Å; Y193-H362 AromaticContact CD2-NE2 3.65Å; Y193-H362 AromaticContact CG-CE1 3.39Å; Y193-H362 AromaticContact CG-ND1 3.94Å; Y193-H362 AromaticContact CG-NE2 3.83Å; Y193-H362 PolarHBondContact N-O 3.29Å
194F97.3Very high95.9Very high0 Ų028.3 Ų28.30%015%0.149CC..EExtended strand (participates in β ladder)trans-126.8141.2-175.1-63.2-85.5000112.1C192 K321 F322 I324 E336 V339 P360C192-F194 HydrophobicContact CB-CD2 4.37Å; C192-F194 HydrophobicContact CB-CE2 3.42Å; C192-F194 VanDerWaalsContact CB-CE2 3.42Å; C192-F194 HydrophobicContact CB-CZ 3.68Å; F194-K321 WeakPolarHBondContact O-CA 3.43Å; F194-F322 HydrophobicContact CB-CD1 3.86Å; F194-F322 HydrophobicContact CB-CD2 4.37Å; F194-F322 HydrophobicContact CB-CE1 3.4Å; F194-F322 VanDerWaalsContact CB-CE1 3.4Å; F194-F322 HydrophobicContact CB-CE2 3.97Å; F194-F322 HydrophobicContact CB-CG 4.33Å; F194-F322 HydrophobicContact CB-CZ 3.48Å; F194-F322 VanDerWaalsContact CB-CZ 3.48Å; F194-F322 HydrophobicContact CD1-CZ 4.43Å; F194-F322 HydrophobicContact CD2-CD2 4.07Å; F194-F322 HydrophobicContact CD2-CE1 4.43Å; F194-F322 AromaticContact CD2-CE2 3.44Å; F194-F322 HydrophobicContact CD2-CE2 3.44Å; F194-F322 VanDerWaalsContact CD2-CE2 3.44Å; F194-F322 AromaticContact CD2-CZ 3.67Å; F194-F322 HydrophobicContact CD2-CZ 3.67Å; F194-F322 HydrophobicContact CE2-CE2 4.18Å; F194-F322 HydrophobicContact CG-CE1 4.08Å; F194-F322 AromaticContact CG-CE2 3.9Å; F194-F322 HydrophobicContact CG-CE2 3.9Å; F194-F322 AromaticContact CG-CZ 3.61Å; F194-F322 HydrophobicContact CG-CZ 3.61Å; F194-F322 PolarHBondContact N-O 3.1Å; F194-F322 PolarHBondContact O-N 3.13Å; F194-F322 VanDerWaalsContact O-N 3.17Å; F194-I324 HydrophobicContact CE2-CD1 4.05Å; F194-I324 HydrophobicContact CE2-CG1 4.1Å; F194-E336 HydrophobicContact CE1-CB 4.23Å; F194-E336 HydrophobicContact CE1-CG 4.01Å; F194-E336 HydrophobicContact CZ-CB 4.41Å; F194-E336 HydrophobicContact CZ-CG 3.98Å; F194-V339 HydrophobicContact CD1-CB 4.31Å; F194-V339 HydrophobicContact CD1-CG1 3.66Å; F194-V339 HydrophobicContact CD2-CG1 4.3Å; F194-V339 HydrophobicContact CE1-CB 3.7Å; F194-V339 HydrophobicContact CE1-CG1 3.57Å; F194-V339 HydrophobicContact CE1-CG2 4.11Å; F194-V339 HydrophobicContact CE2-CB 4.37Å; F194-V339 HydrophobicContact CE2-CG1 4.22Å; F194-V339 HydrophobicContact CE2-CG2 3.9Å; F194-V339 HydrophobicContact CG-CG1 4.03Å; F194-V339 HydrophobicContact CZ-CB 3.74Å; F194-V339 HydrophobicContact CZ-CG1 3.87Å; F194-V339 HydrophobicContact CZ-CG2 3.6Å; F194-P360 HydrophobicContact CD1-CG 4.4Å; F194-P360 HydrophobicContact CE1-CB 4.35Å; F194-P360 HydrophobicContact CE1-CG 4.14Å
195M97.8Very high95.9Very high39 Ų3929.3 Ų29.319%0.19215%0.154CC..EExtended strand (participates in β ladder)trans-116.3120.2170-65.8-175.7-179.500109.6Y193 I319 G320 K321 Q359 H361Y193-M195 HydrophobicContact CE1-CE 4.42Å; M195-I319 HydrophobicContact CB-CG2 3.79Å; M195-I319 HydrophobicContact CG-CG2 4.27Å; M195-G320 WeakPolarHBondContact CA-O 3.44Å; M195-K321 HydrophobicContact CE-CD 4.47Å; M195-Q359 PolarHBondContact N-O 3.29Å; M195-Q359 PolarHBondContact O-N 3.45Å; M195-H361 HydrophobicContact CE-CB 4.43Å; M195-H361 WeakPolarHBondContact CE-CD2 3.33Å
196V98.4Very high96.1Very high0 Ų034.2 Ų34.20%018%0.177CC..EExtended strand (participates in β ladder)trans-107.198.2-179.8-1740000108.8L221 L224 L225 I319 G320 F322 L343 L356 V358V196-L221 HydrophobicContact CB-CD1 3.89Å; V196-L221 HydrophobicContact CG1-CD1 3.76Å; V196-L221 WeakPolarHBondContact O-CD1 3.21Å; V196-L224 HydrophobicContact CG1-CD1 4.15Å; V196-L225 HydrophobicContact CG2-CD2 4.45Å; V196-I319 CarbonylContact O-C 3.52Å; V196-I319 VanDerWaalsContact O-CA 3.3Å; V196-I319 WeakPolarHBondContact O-CA 3.45Å; V196-G320 PolarHBondContact N-O 3.12Å; V196-G320 PolarHBondContact O-N 2.9Å; V196-F322 HydrophobicContact CG2-CD1 4.01Å; V196-F322 HydrophobicContact CG2-CE1 3.51Å; V196-L343 HydrophobicContact CG2-CD1 3.74Å; V196-L356 HydrophobicContact CG1-CD1 3.72Å; V196-V358 HydrophobicContact CG1-CG2 4.49Å
197E98.7Very high96.2Very high30 Ų3036 Ų3614%0.1419%0.189CC..EExtended strand (participates in β ladder)trans-90.6126.2179.5179.3174141.200110.9V199 K317 V318 I319 L356 R357E197-V199 HydrophobicContact CG-CG2 4.1Å; E197-K317 HydrophobicContact CG-CD 4.39Å; E197-K317 HydrophobicContact CG-CG 4.36Å; E197-K317 WeakPolarHBondContact OE1-CE 3.47Å; E197-K317 IonicContact OE1-NZ 2.7Å; E197-K317 PolarHBondContact OE1-NZ 2.7Å; E197-K317 VanDerWaalsContact OE2-CE 3.26Å; E197-K317 WeakPolarHBondContact OE2-CE 3.4Å; E197-K317 IonicContact OE2-NZ 2.7Å; E197-K317 PolarHBondContact OE2-NZ 3.17Å; E197-V318 CarbonylContact C-O 3.55Å; E197-V318 WeakPolarHBondContact CA-O 3.48Å; E197-I319 HydrophobicContact CB-CG1 4.06Å; E197-I319 HydrophobicContact CG-CG1 4.09Å; E197-L356 WeakPolarHBondContact O-CA 3.45Å; E197-R357 HydrophobicContact CB-CB 4.28Å; E197-R357 PolarHBondContact N-O 3.12Å; E197-R357 PolarHBondContact O-N 2.89Å
198V98.6Very high96.4Very high0 Ų039 Ų390%022%0.221CC..EExtended strand (participates in β ladder)trans-122.3129.5171.8-173.20000109.6A217 D220 L221 L224 K317 V318 N354 Q355 L356V198-A217 HydrophobicContact CB-CB 4.23Å; V198-A217 HydrophobicContact CG1-CB 3.88Å; V198-D220 HydrophobicContact CG1-CB 4.05Å; V198-L221 HydrophobicContact CG2-CB 4.1Å; V198-L221 HydrophobicContact CG2-CD1 4.24Å; V198-L224 HydrophobicContact CG2-CD1 4.29Å; V198-K317 WeakPolarHBondContact O-CA 3.38Å; V198-V318 HydrophobicContact CB-CG2 4.21Å; V198-V318 PolarHBondContact N-O 3.44Å; V198-V318 PolarHBondContact O-N 3.04Å; V198-N354 HydrophobicContact CG1-CB 3.94Å; V198-Q355 CarbonylContact C-O 3.58Å; V198-Q355 VanDerWaalsContact CA-O 3.3Å; V198-Q355 WeakPolarHBondContact CA-O 3.4Å; V198-L356 HydrophobicContact CG2-CD1 4.03Å
199V98.6Very high96.6Very high29 Ų2943.6 Ų43.618%0.17625%0.249CC..EExtended strand (participates in β ladder)trans-123.1124.7178.8-174.30000110.1E197 C316 K317 N354 Q355E197-V199 HydrophobicContact CG-CG2 4.1Å; V199-C316 CarbonylContact C-O 3.59Å; V199-C316 WeakPolarHBondContact CA-O 3.44Å; V199-K317 HydrophobicContact CG2-CB 4.06Å; V199-K317 HydrophobicContact CG2-CD 4.08Å; V199-K317 HydrophobicContact CG2-CG 3.94Å; V199-N354 WeakPolarHBondContact O-CA 3.41Å; V199-N354 WeakPolarHBondContact O-CB 3.38Å; V199-Q355 HydrophobicContact CB-CB 4.32Å; V199-Q355 PolarHBondContact N-O 3.47Å; V199-Q355 PolarHBondContact O-N 3.07Å
200C98.2Very high96.9Very high34 Ų3448.1 Ų48.123%0.2327%0.266CS..  trans-112.8-20.9177.470.30000114.4H215 A217 C316 N354C200-H215 WeakPolarHBondContact CB-O 3.31Å; C200-A217 HydrophobicContact CB-CB 3.85Å; C200-C316 PolarHBondContact N-O 3.45Å; C200-N354 VanDerWaalsContact CA-OD1 3.31Å; C200-N354 WeakPolarHBondContact CA-OD1 3.19Å; C200-N354 VanDerWaalsContact CB-CG 3.5Å; C200-N354 WeakPolarHBondContact CB-OD1 3.17Å
201A97.4Very high97.1Very high22 Ų2249.8 Ų49.818%0.18228%0.284CS..  trans-151.2169.4-176.400000111.5L205 C316A201-L205 HydrophobicContact CB-CD1 4.21Å; A201-L205 HydrophobicContact CB-CG 4.35Å; A201-C316 HydrophobicContact CB-CB 3.98Å; A201-C316 PolarHBondContact N-O 3.17Å; A201-C316 WeakPolarHBondContact O-CB 3.01Å
202N96Very high97.3Very high172 Ų17252.7 Ų52.792%0.9232%0.319SS*.SBendtrans-86.9-10.3176.9-65.3-13.2000113.3
203Q97.1Very high97.4Very high135 Ų13557.4 Ų57.463%0.63135%0.352SS*.SBendtrans-157.5155.5179.566.7-178.633.300110C316Q203-C316 VanDerWaalsContact O-CB 3.24Å; Q203-C316 WeakPolarHBondContact O-CB 3.43Å
204D98Very high97.5Very high74 Ų7458.6 Ų58.640%0.39636%0.362SS..  trans-57.1143.2175.7-79.71.3000111.5V313 P315 C316D204-V313 HydrophobicContact CB-CG2 3.66Å; D204-P315 WeakPolarHBondContact OD1-CA 3.34Å; D204-C316 PolarHBondContact OD1-N 2.93Å
205L98.1Very high97.5Very high20 Ų2063.5 Ų63.511%0.10539%0.385CS..EExtended strand (participates in β ladder)trans-113.5144.5-177-51.4175.8000111A201 S207 Y210 V214 V313 I314A201-L205 HydrophobicContact CB-CD1 4.21Å; A201-L205 HydrophobicContact CB-CG 4.35Å; L205-S207 PolarHBondContact O-N 2.89Å; L205-Y210 HydrophobicContact CB-CD2 3.68Å; L205-Y210 HydrophobicContact CB-CE2 4.27Å; L205-Y210 HydrophobicContact CB-CG 3.93Å; L205-Y210 HydrophobicContact CD1-CD1 4.2Å; L205-Y210 HydrophobicContact CD1-CG 4.06Å; L205-Y210 HydrophobicContact CD2-CD2 4.35Å; L205-Y210 HydrophobicContact CD2-CE1 4.45Å; L205-Y210 HydrophobicContact CD2-CE2 4.24Å; L205-Y210 HydrophobicContact CD2-CG 4.5Å; L205-Y210 HydrophobicContact CG-CD2 4.42Å; L205-Y210 HydrophobicContact CG-CG 4.4Å; L205-V214 HydrophobicContact CD1-CG1 4.39Å; L205-V214 HydrophobicContact CD1-CG2 4.22Å; L205-V313 WeakPolarHBondContact O-CA 3.28Å; L205-I314 HydrophobicContact CB-CB 4.17Å; L205-I314 PolarHBondContact N-O 3.39Å; L205-I314 PolarHBondContact O-N 3.3Å
206H98Very high97.6Very high104 Ų10464.3 Ų64.348%0.48139%0.388SS..EExtended strand (participates in β ladder)trans-68.1115.5172-175.8-69.3000109.7G208 V209 Y210H206-G208 VanDerWaalsContact C-N 3.25Å; H206-G208 PolarHBondContact ND1-N 2.95Å; H206-G208 VanDerWaalsContact ND1-N 3.15Å; H206-G208 PolarHBondContact O-N 3.16Å; H206-G208 VanDerWaalsContact O-N 3.16Å; H206-V209 HydrophobicContact CB-CB 4.3Å; H206-V209 HydrophobicContact CB-CG2 4.19Å; H206-V209 PolarHBondContact ND1-N 2.9Å; H206-V209 PolarHBondContact O-N 3.27Å; H206-Y210 WeakPolarHBondContact O-CD2 2.93Å; H206-Y210 PolarHBondContact O-N 3.38Å; H206-Y210 VanDerWaalsContact O-N 3.13Å
207S97.5Very high97.6Very high39 Ų3964.3 Ų64.327%0.27339%0.388SS..Hα-helixtrans-63.9-29.1-169.266.60000113.7L205 G211 T312L205-S207 PolarHBondContact O-N 2.89Å; S207-G211 WeakPolarHBondContact O-CA 3.27Å; S207-G211 PolarHBondContact O-N 2.9Å; S207-T312 PolarHBondContact N-O 3.03Å; S207-T312 VanDerWaalsContact N-O 3.12Å; S207-T312 WeakPolarHBondContact OG-CA 3.48Å; S207-T312 WeakPolarHBondContact OG-CB 2.83Å; S207-T312 PolarHBondContact OG-O 3.3Å
208G96.9Very high97.5Very high64 Ų6465.3 Ų65.366%0.6639%0.393SS*.Hα-helixtrans-71.8-24.8173.900000115.2H206H206-G208 VanDerWaalsContact C-N 3.25Å; H206-G208 PolarHBondContact ND1-N 2.95Å; H206-G208 VanDerWaalsContact ND1-N 3.15Å; H206-G208 PolarHBondContact O-N 3.16Å; H206-G208 VanDerWaalsContact O-N 3.16Å
209V97.2Very high97.5Very high99 Ų9967.9 Ų67.960%0.641%0.411SS*.Hα-helixtrans-89.7-38.8-177.91740000110.5H206H206-V209 HydrophobicContact CB-CB 4.3Å; H206-V209 HydrophobicContact CB-CG2 4.19Å; H206-V209 PolarHBondContact ND1-N 2.9Å; H206-V209 PolarHBondContact O-N 3.27Å
210Y97.9Very high97.4Very high99 Ų9966.7 Ų66.739%0.38840%0.404SS..Hα-helixtrans-106.1-13.6-172.7-65-88.4000113.9L205 H206 G212 S213L205-Y210 HydrophobicContact CB-CD2 3.68Å; L205-Y210 HydrophobicContact CB-CE2 4.27Å; L205-Y210 HydrophobicContact CB-CG 3.93Å; L205-Y210 HydrophobicContact CD1-CD1 4.2Å; L205-Y210 HydrophobicContact CD1-CG 4.06Å; L205-Y210 HydrophobicContact CD2-CD2 4.35Å; L205-Y210 HydrophobicContact CD2-CE1 4.45Å; L205-Y210 HydrophobicContact CD2-CE2 4.24Å; L205-Y210 HydrophobicContact CD2-CG 4.5Å; L205-Y210 HydrophobicContact CG-CD2 4.42Å; L205-Y210 HydrophobicContact CG-CG 4.4Å; H206-Y210 WeakPolarHBondContact O-CD2 2.93Å; H206-Y210 PolarHBondContact O-N 3.38Å; H206-Y210 VanDerWaalsContact O-N 3.13Å; Y210-G212 PolarHBondContact O-N 2.85Å; Y210-S213 WeakPolarHBondContact O-CB 3.24Å; Y210-S213 PolarHBondContact O-N 2.76Å
211G95.6Very high97.5Very high36 Ų3665 Ų6537%0.37139%0.393SS..THydrogen-bonded Turntrans-56.6131-179.600000112.1S207 S213S207-G211 WeakPolarHBondContact O-CA 3.27Å; S207-G211 PolarHBondContact O-N 2.9Å; G211-S213 PolarHBondContact O-N 3.23Å
212G96.1Very high97.5Very high81 Ų8168.3 Ų68.384%0.83541%0.406SS*.THydrogen-bonded Turntrans78.1-4.9-174.800000115.5Y210Y210-G212 PolarHBondContact O-N 2.85Å
213S97.2Very high97.5Very high99 Ų9963 Ų6369%0.69237%0.374SS*.THydrogen-bonded Turntrans-105.3-14.8178-56.90000113.8Y210 G211Y210-S213 WeakPolarHBondContact O-CB 3.24Å; Y210-S213 PolarHBondContact O-N 2.76Å; G211-S213 PolarHBondContact O-N 3.23Å
214V97.5Very high97.6Very high54 Ų5456.5 Ų56.533%0.32734%0.344SS..SBendtrans-128.5153.7-176.4-60.40000111.1L205 E216 I314L205-V214 HydrophobicContact CD1-CG1 4.39Å; L205-V214 HydrophobicContact CD1-CG2 4.22Å; V214-E216 HydrophobicContact CG2-CG 4.22Å; V214-E216 PolarHBondContact O-N 2.86Å; V214-I314 HydrophobicContact CG2-CD1 4.07Å
215H97.7Very high97.5Very high103 Ų10353.6 Ų53.648%0.47733%0.328SS..  trans-78.1110.7167.6-72.3-104.2000108.8C200 P353 N354C200-H215 WeakPolarHBondContact CB-O 3.31Å; H215-P353 HydrophobicContact CB-CG 3.93Å; H215-P353 VanDerWaalsContact CD2-CD 3.49Å; H215-P353 WeakPolarHBondContact CD2-CD 3.29Å; H215-P353 WeakPolarHBondContact ND1-CD 3.25Å; H215-N354 PolarHBondContact O-ND2 3.15Å; H215-N354 PolarHBondContact O-OD1 2.9Å
216E98.3Very high97.4Very high56 Ų5657.8 Ų57.826%0.26235%0.35SS..  trans-80.4130.8-173-58.2177.7-171.800111.8V214 M218 S219 D220 I314V214-E216 HydrophobicContact CG2-CG 4.22Å; V214-E216 PolarHBondContact O-N 2.86Å; E216-M218 VanDerWaalsContact C-N 3.27Å; E216-M218 PolarHBondContact O-N 3.38Å; E216-S219 WeakPolarHBondContact O-CB 3.27Å; E216-S219 PolarHBondContact O-N 2.85Å; E216-D220 PolarHBondContact O-N 3.03Å; E216-I314 HydrophobicContact CB-CG2 4.13Å; E216-I314 HydrophobicContact CG-CD1 4.17Å; E216-I314 HydrophobicContact CG-CG1 4.34Å; E216-I314 HydrophobicContact CG-CG2 3.93Å
217A98.4Very high97.3Very high0 Ų055.2 Ų55.20%034%0.339CS..Hα-helixtrans-58.5-39.2-179.900000112.4V198 C200 S219 D220 L221 V318V198-A217 HydrophobicContact CB-CB 4.23Å; V198-A217 HydrophobicContact CG1-CB 3.88Å; C200-A217 HydrophobicContact CB-CB 3.85Å; A217-S219 VanDerWaalsContact C-N 3.34Å; A217-S219 PolarHBondContact O-N 2.72Å; A217-D220 PolarHBondContact O-N 2.93Å; A217-L221 WeakPolarHBondContact O-CB 3.07Å; A217-L221 PolarHBondContact O-N 2.79Å; A217-V318 HydrophobicContact CB-CG2 3.91Å
218M98.2Very high97.2Very high51 Ų5153.4 Ų53.425%0.25133%0.326SS..Hα-helixtrans-58.6-43174.1-83.5-64.4-68.700112.6E216 D220 L221 I222 V301 A304 P315 V318E216-M218 VanDerWaalsContact C-N 3.27Å; E216-M218 PolarHBondContact O-N 3.38Å; M218-D220 VanDerWaalsContact C-N 3.31Å; M218-D220 PolarHBondContact O-N 3.45Å; M218-L221 PolarHBondContact O-N 3.47Å; M218-I222 HydrophobicContact CE-CD1 4.4Å; M218-I222 HydrophobicContact CE-CG1 4.33Å; M218-I222 WeakPolarHBondContact O-CB 3.44Å; M218-I222 VanDerWaalsContact O-CG1 3.26Å; M218-I222 WeakPolarHBondContact O-CG1 3.32Å; M218-I222 PolarHBondContact O-N 3.44Å; M218-V301 HydrophobicContact SD-CG1 3.96Å; M218-A304 HydrophobicContact CE-CB 4.47Å; M218-A304 HydrophobicContact SD-CB 3.89Å; M218-P315 HydrophobicContact CG-CB 4.46Å; M218-P315 HydrophobicContact CG-CG 3.86Å; M218-V318 HydrophobicContact CG-CG1 3.94Å; M218-V318 HydrophobicContact SD-CB 4.22Å; M218-V318 HydrophobicContact SD-CG1 3.67Å; M218-V318 HydrophobicContact SD-CG2 4.32Å
219S97.5Very high96.9Very high54 Ų5452.1 Ų52.138%0.37831%0.305SS..Hα-helixtrans-63.8-38.5-179.1-74.90000112.1E216 A217 Y223 R350E216-S219 WeakPolarHBondContact O-CB 3.27Å; E216-S219 PolarHBondContact O-N 2.85Å; A217-S219 VanDerWaalsContact C-N 3.34Å; A217-S219 PolarHBondContact O-N 2.72Å; S219-Y223 WeakPolarHBondContact O-CB 3.42Å; S219-Y223 PolarHBondContact O-N 3.33Å; S219-R350 PolarHBondContact O-NH2 2.99Å
220D98.1Very high96.4Very high4 Ų449.7 Ų49.72%0.02129%0.289CS..Hα-helixtrans-72.4-42.4176.1-68-18.1000112.1V198 E216 A217 M218 Y223 L224 R350 S352 N354V198-D220 HydrophobicContact CG1-CB 4.05Å; E216-D220 PolarHBondContact O-N 3.03Å; A217-D220 PolarHBondContact O-N 2.93Å; M218-D220 VanDerWaalsContact C-N 3.31Å; M218-D220 PolarHBondContact O-N 3.45Å; D220-Y223 WeakPolarHBondContact O-CB 3.41Å; D220-Y223 PolarHBondContact O-N 2.96Å; D220-L224 VanDerWaalsContact O-CG 3.3Å; D220-L224 WeakPolarHBondContact O-CG 3.49Å; D220-L224 PolarHBondContact O-N 2.83Å; D220-R350 WeakPolarHBondContact OD1-CD 3.3Å; D220-R350 IonicContact OD1-CZ 3.58Å; D220-R350 IonicContact OD1-NE 2.77Å; D220-R350 PolarHBondContact OD1-NE 3.08Å; D220-R350 IonicContact OD1-NH2 3.59Å; D220-S352 WeakPolarHBondContact OD2-CB 3.45Å; D220-S352 PolarHBondContact OD2-OG 2.96Å; D220-N354 WeakPolarHBondContact OD2-CB 3.37Å; D220-N354 PolarHBondContact OD2-ND2 3.26Å
221L98.3Very high95.6Very high0 Ų054 Ų540%031%0.309CS..Hα-helixtrans-60.6-49.7177.9-178.964.1000111.2V196 V198 A217 M218 Y223 L224 L225 V301 V318V196-L221 HydrophobicContact CB-CD1 3.89Å; V196-L221 HydrophobicContact CG1-CD1 3.76Å; V196-L221 WeakPolarHBondContact O-CD1 3.21Å; V198-L221 HydrophobicContact CG2-CB 4.1Å; V198-L221 HydrophobicContact CG2-CD1 4.24Å; A217-L221 WeakPolarHBondContact O-CB 3.07Å; A217-L221 PolarHBondContact O-N 2.79Å; M218-L221 PolarHBondContact O-N 3.47Å; L221-Y223 VanDerWaalsContact C-N 3.29Å; L221-Y223 PolarHBondContact O-N 2.89Å; L221-L224 PolarHBondContact O-N 3.02Å; L221-L224 VanDerWaalsContact O-N 3.1Å; L221-L225 HydrophobicContact CD1-CD1 4.19Å; L221-L225 HydrophobicContact CD1-CD2 4.45Å; L221-L225 HydrophobicContact CD1-CG 4.13Å; L221-L225 HydrophobicContact CG-CD1 4.02Å; L221-L225 HydrophobicContact CG-CG 4.32Å; L221-L225 WeakPolarHBondContact O-CG 3.36Å; L221-L225 PolarHBondContact O-N 2.97Å; L221-V301 HydrophobicContact CD2-CB 4.49Å; L221-V301 HydrophobicContact CD2-CG1 3.65Å; L221-V301 HydrophobicContact CD2-CG2 4.07Å; L221-V318 HydrophobicContact CB-CG2 3.87Å; L221-V318 HydrophobicContact CD2-CB 3.84Å; L221-V318 HydrophobicContact CD2-CG2 3.54Å; L221-V318 HydrophobicContact CG-CG2 4.3Å
222I97.8Very high94.7Very high90 Ų9056 Ų5646%0.46231%0.312SS..Hα-helixtrans-59.3-42.4178.8-66.3-61.6000110.9M218 L225 D226M218-I222 HydrophobicContact CE-CD1 4.4Å; M218-I222 HydrophobicContact CE-CG1 4.33Å; M218-I222 WeakPolarHBondContact O-CB 3.44Å; M218-I222 VanDerWaalsContact O-CG1 3.26Å; M218-I222 WeakPolarHBondContact O-CG1 3.32Å; M218-I222 PolarHBondContact O-N 3.44Å; I222-L225 PolarHBondContact O-N 3.24Å; I222-D226 VanDerWaalsContact O-CB 3.3Å; I222-D226 WeakPolarHBondContact O-CB 3.34Å; I222-D226 PolarHBondContact O-N 2.57Å
223Y97.3Very high93.8Very high60 Ų6053.6 Ų53.624%0.23529%0.286CS..Hα-helixtrans-58.4-49.5173.5170.4-100.4000111.8S219 D220 L221 L225 D226 Q227 M346 R350S219-Y223 WeakPolarHBondContact O-CB 3.42Å; S219-Y223 PolarHBondContact O-N 3.33Å; D220-Y223 WeakPolarHBondContact O-CB 3.41Å; D220-Y223 PolarHBondContact O-N 2.96Å; L221-Y223 VanDerWaalsContact C-N 3.29Å; L221-Y223 PolarHBondContact O-N 2.89Å; Y223-L225 VanDerWaalsContact C-N 3.33Å; Y223-L225 PolarHBondContact O-N 3.37Å; Y223-D226 PolarHBondContact O-N 3.36Å; Y223-Q227 HydrophobicContact CD2-CG 4.31Å; Y223-Q227 HydrophobicContact CE1-CG 4.41Å; Y223-Q227 HydrophobicContact CE2-CG 4.04Å; Y223-Q227 WeakPolarHBondContact O-CG 3.1Å; Y223-Q227 PolarHBondContact O-N 3.47Å; Y223-M346 HydrophobicContact CE1-CB 4.43Å; Y223-M346 HydrophobicContact CE1-CE 4.15Å; Y223-M346 WeakPolarHBondContact OH-CE 3.48Å; Y223-R350 VanDerWaalsContact CB-NH1 3.3Å; Y223-R350 VanDerWaalsContact CD1-CD 3.46Å; Y223-R350 HydrophobicContact CD1-CG 4.44Å; Y223-R350 HydrophobicContact CE1-CB 4.08Å; Y223-R350 HydrophobicContact CE1-CG 4.37Å
224L97.8Very high93.2Very high0 Ų054.2 Ų54.20%028%0.277CS..Hα-helixtrans-61.2-42.2-178.6-71.1171.2000112.3V196 V198 D220 L221 Q227 L343 M346 H347 L356V196-L224 HydrophobicContact CG1-CD1 4.15Å; V198-L224 HydrophobicContact CG2-CD1 4.29Å; D220-L224 VanDerWaalsContact O-CG 3.3Å; D220-L224 WeakPolarHBondContact O-CG 3.49Å; D220-L224 PolarHBondContact O-N 2.83Å; L221-L224 PolarHBondContact O-N 3.02Å; L221-L224 VanDerWaalsContact O-N 3.1Å; L224-Q227 PolarHBondContact O-N 3.01Å; L224-L343 HydrophobicContact CB-CD2 4.17Å; L224-L343 HydrophobicContact CD2-CD2 4.25Å; L224-M346 HydrophobicContact CD2-CB 3.78Å; L224-H347 HydrophobicContact CD1-CB 4.44Å; L224-H347 HydrophobicContact CD2-CB 4.04Å; L224-L356 HydrophobicContact CD1-CD1 3.72Å; L224-L356 HydrophobicContact CD1-CD2 4.3Å
225L96.9Very high92.9Very high13 Ų1351.8 Ų51.87%0.06826%0.262CS..Hα-helixtrans-68.6-39179.5-62.9-179.5000112.4V196 L221 I222 Y223 Q227 L228 L298 F322V196-L225 HydrophobicContact CG2-CD2 4.45Å; L221-L225 HydrophobicContact CD1-CD1 4.19Å; L221-L225 HydrophobicContact CD1-CD2 4.45Å; L221-L225 HydrophobicContact CD1-CG 4.13Å; L221-L225 HydrophobicContact CG-CD1 4.02Å; L221-L225 HydrophobicContact CG-CG 4.32Å; L221-L225 WeakPolarHBondContact O-CG 3.36Å; L221-L225 PolarHBondContact O-N 2.97Å; I222-L225 PolarHBondContact O-N 3.24Å; Y223-L225 VanDerWaalsContact C-N 3.33Å; Y223-L225 PolarHBondContact O-N 3.37Å; L225-Q227 PolarHBondContact O-N 3.22Å; L225-L228 HydrophobicContact CD2-CD1 3.96Å; L225-L228 WeakPolarHBondContact O-CB 3.25Å; L225-L228 PolarHBondContact O-N 2.86Å; L225-L298 HydrophobicContact CB-CD1 4.14Å; L225-L298 HydrophobicContact CB-CD2 4.04Å; L225-L298 HydrophobicContact CD2-CD2 4.05Å; L225-L298 HydrophobicContact CG-CD2 4.45Å; L225-F322 HydrophobicContact CD2-CD1 4.08Å
226D95.1Very high92.7Very high107 Ų10750.1 Ų50.157%0.57226%0.256SS*.Hα-helixtrans-66.1-20176.6-174.464000112.8I222 Y223 L228I222-D226 VanDerWaalsContact O-CB 3.3Å; I222-D226 WeakPolarHBondContact O-CB 3.34Å; I222-D226 PolarHBondContact O-N 2.57Å; Y223-D226 PolarHBondContact O-N 3.36Å; D226-L228 VanDerWaalsContact C-N 3.32Å
227Q95.8Very high92.6Very high51 Ų5147.6 Ų47.624%0.23824%0.244CC..THydrogen-bonded Turntrans-87.32177.7-62.3-61.9-70.300113.5Y223 L224 L225 L236 Y342 M346Y223-Q227 HydrophobicContact CD2-CG 4.31Å; Y223-Q227 HydrophobicContact CE1-CG 4.41Å; Y223-Q227 HydrophobicContact CE2-CG 4.04Å; Y223-Q227 WeakPolarHBondContact O-CG 3.1Å; Y223-Q227 PolarHBondContact O-N 3.47Å; L224-Q227 PolarHBondContact O-N 3.01Å; L225-Q227 PolarHBondContact O-N 3.22Å; Q227-L236 WeakPolarHBondContact O-CB 3.43Å; Q227-Y342 HydrophobicContact CB-CE1 4.47Å; Q227-Y342 VanDerWaalsContact O-CE1 3.23Å; Q227-Y342 WeakPolarHBondContact O-CE1 3.25Å; Q227-Y342 PolarHBondContact O-OH 2.92Å; Q227-M346 HydrophobicContact CB-CE 3.94Å; Q227-M346 HydrophobicContact CG-CE 3.55Å
228L95.8Very high92.5Very high0 Ų051.7 Ų51.70%027%0.271CS..SBendtrans-85.6-35.4-177.8-73172.9000113.5L225 D226 I235 L236 I237 L296 L298 F322 Y342 L343L225-L228 HydrophobicContact CD2-CD1 3.96Å; L225-L228 WeakPolarHBondContact O-CB 3.25Å; L225-L228 PolarHBondContact O-N 2.86Å; D226-L228 VanDerWaalsContact C-N 3.32Å; L228-I235 WeakPolarHBondContact O-CA 3.42Å; L228-L236 PolarHBondContact O-N 2.96Å; L228-I237 HydrophobicContact CD2-CD1 3.94Å; L228-I237 HydrophobicContact CD2-CG1 4.21Å; L228-L296 HydrophobicContact CB-CD1 3.64Å; L228-L296 HydrophobicContact CB-CD2 3.91Å; L228-L296 HydrophobicContact CB-CG 4.44Å; L228-L296 HydrophobicContact CD1-CD1 4.2Å; L228-L296 HydrophobicContact CD1-CD2 4.24Å; L228-L296 HydrophobicContact CD2-CD1 4.16Å; L228-L296 HydrophobicContact CG-CD1 4.22Å; L228-L298 HydrophobicContact CD1-CD2 4.05Å; L228-F322 HydrophobicContact CD1-CD1 3.79Å; L228-F322 HydrophobicContact CD1-CD2 3.95Å; L228-F322 HydrophobicContact CD1-CE1 3.76Å; L228-F322 HydrophobicContact CD1-CE2 3.93Å; L228-F322 HydrophobicContact CD1-CG 3.87Å; L228-F322 HydrophobicContact CD1-CZ 3.82Å; L228-F322 HydrophobicContact CD2-CE2 4.29Å; L228-F322 HydrophobicContact CD2-CZ 4.1Å; L228-Y342 HydrophobicContact CD2-CD1 4.45Å; L228-Y342 HydrophobicContact CD2-CE1 4.47Å; L228-L343 HydrophobicContact CD2-CD1 4.45Å; L228-L343 HydrophobicContact CD2-CD2 3.84Å; L228-L343 HydrophobicContact CD2-CG 4.28Å; L228-L343 HydrophobicContact CG-CD2 4.32Å
229V90.7Very high92.3Very high37 Ų3750.4 Ų50.422%0.22427%0.271CS..BIsolated β-bridgetrans-142.6140.5-173.265.50000110.9G233 K234 L296V229-G233 VanDerWaalsContact CG2-C 3.5Å; V229-K234 CarbonylContact C-O 3.53Å; V229-K234 WeakPolarHBondContact CA-O 3.38Å; V229-L296 HydrophobicContact CB-CD2 4.38Å; V229-L296 HydrophobicContact CG1-CD2 4.25Å
230D86.4Confident92.1Very high49 Ų4948 Ų4826%0.26225%0.253SS..  trans-83.217317683.8-0.9000112.9N232 G233 K234 L236D230-N232 PolarHBondContact O-N 3.2Å; D230-N232 VanDerWaalsContact OD1-CA 3.29Å; D230-N232 WeakPolarHBondContact OD1-CA 3.38Å; D230-N232 WeakPolarHBondContact OD1-CB 3.36Å; D230-N232 PolarHBondContact OD1-N 2.97Å; D230-N232 PolarHBondContact OD2-ND2 3.31Å; D230-G233 PolarHBondContact O-N 2.84Å; D230-G233 PolarHBondContact OD1-N 2.92Å; D230-G233 VanDerWaalsContact OD1-N 3.08Å; D230-K234 PolarHBondContact N-O 3.5Å; D230-K234 WeakPolarHBondContact OD1-CB 3.37Å; D230-K234 PolarHBondContact OD1-N 3.3Å; D230-L236 HydrophobicContact CB-CD1 4.48Å; D230-L236 HydrophobicContact CB-CD2 4.09Å; D230-L236 HydrophobicContact CB-CG 4.42Å
231K82Confident91.7Very high189 Ų18951.5 Ų51.582%0.82227%0.267SS*.THydrogen-bonded Turntrans-59.4-14.1177.768.7177.6-176.8177.40115.5
232N75.5Confident91.5Very high79 Ų7958 Ų5842%0.42230%0.302SS..THydrogen-bonded Turntrans-103.45.5179-49.7-60.9000112.3D230 R277D230-N232 PolarHBondContact O-N 3.2Å; D230-N232 VanDerWaalsContact OD1-CA 3.29Å; D230-N232 WeakPolarHBondContact OD1-CA 3.38Å; D230-N232 WeakPolarHBondContact OD1-CB 3.36Å; D230-N232 PolarHBondContact OD1-N 2.97Å; D230-N232 PolarHBondContact OD2-ND2 3.31Å; N232-R277 PolarHBondContact O-NE 3.24Å; N232-R277 PolarHBondContact O-NH2 3.38Å
233G78.2Confident91Very high29 Ų2956.3 Ų56.330%0.29929%0.292SS..SBendtrans79.516.1-177.200000114.3V229 D230V229-G233 VanDerWaalsContact CG2-C 3.5Å; D230-G233 PolarHBondContact O-N 2.84Å; D230-G233 PolarHBondContact OD1-N 2.92Å; D230-G233 VanDerWaalsContact OD1-N 3.08Å
234K84.2Confident90.6Very high113 Ų11355.5 Ų55.549%0.49129%0.293SS..  trans-82.8128.4175.3-174.5-175.1175.6-178.50109.8V229 D230 Y241V229-K234 CarbonylContact C-O 3.53Å; V229-K234 WeakPolarHBondContact CA-O 3.38Å; D230-K234 PolarHBondContact N-O 3.5Å; D230-K234 WeakPolarHBondContact OD1-CB 3.37Å; D230-K234 PolarHBondContact OD1-N 3.3Å; K234-Y241 HydrophobicContact CG-CE2 4.23Å
235I90.4Very high90Very high3 Ų356.9 Ų56.92%0.01530%0.304CS..BIsolated β-bridgetrans-69.5133.3174.5-58.6-171000109.6L228 I237 I240 Y241 H294 L296 I324L228-I235 WeakPolarHBondContact O-CA 3.42Å; I235-I237 HydrophobicContact CG2-CB 3.94Å; I235-I237 HydrophobicContact CG2-CD1 3.73Å; I235-I237 HydrophobicContact CG2-CG1 3.96Å; I235-I240 HydrophobicContact CB-CG2 4.13Å; I235-I240 HydrophobicContact CG2-CB 4.44Å; I235-I240 HydrophobicContact CG2-CG1 4.2Å; I235-I240 HydrophobicContact CG2-CG2 3.94Å; I235-Y241 HydrophobicContact CB-CE2 4.45Å; I235-Y241 PolarHBondContact N-OH 3.2Å; I235-Y241 WeakPolarHBondContact O-CE2 3.38Å; I235-H294 HydrophobicContact CD1-CB 3.21Å; I235-H294 HydrophobicContact CG1-CB 4.04Å; I235-L296 HydrophobicContact CD1-CB 3.76Å; I235-L296 HydrophobicContact CD1-CD1 4.43Å; I235-L296 HydrophobicContact CG1-CB 3.95Å; I235-L296 HydrophobicContact CG2-CD1 4.49Å; I235-I324 HydrophobicContact CD1-CG2 4.06Å
236L94.5Very high89.1Confident67 Ų6760.4 Ų60.435%0.35134%0.335SS..  trans-93.3-8.6-174-66.3177000113.8Q227 L228 D230 P238Q227-L236 WeakPolarHBondContact O-CB 3.43Å; L228-L236 PolarHBondContact O-N 2.96Å; D230-L236 HydrophobicContact CB-CD1 4.48Å; D230-L236 HydrophobicContact CB-CD2 4.09Å; D230-L236 HydrophobicContact CB-CG 4.42Å; L236-P238 VanDerWaalsContact O-CD 3.3Å; L236-P238 WeakPolarHBondContact O-CD 3.13Å
237I95.8Very high88.1Confident4 Ų458.1 Ų58.12%0.02132%0.32CS..SBendtrans-64.9118.5179.1-61.4156.5000109.8L228 I235 I240 L296 I324 L338 V339 Y342L228-I237 HydrophobicContact CD2-CD1 3.94Å; L228-I237 HydrophobicContact CD2-CG1 4.21Å; I235-I237 HydrophobicContact CG2-CB 3.94Å; I235-I237 HydrophobicContact CG2-CD1 3.73Å; I235-I237 HydrophobicContact CG2-CG1 3.96Å; I237-I240 HydrophobicContact CB-CB 4.26Å; I237-I240 HydrophobicContact CG2-CB 4.43Å; I237-I240 WeakPolarHBondContact O-CB 3.07Å; I237-I240 WeakPolarHBondContact O-CG2 3.34Å; I237-I240 PolarHBondContact O-N 2.65Å; I237-L296 HydrophobicContact CD1-CD1 4.44Å; I237-I324 HydrophobicContact CD1-CD1 3.85Å; I237-L338 HydrophobicContact CG2-CB 4.01Å; I237-V339 HydrophobicContact CD1-CG2 3.64Å; I237-Y342 HydrophobicContact CB-CD1 4.44Å; I237-Y342 HydrophobicContact CG1-CD1 3.63Å; I237-Y342 HydrophobicContact CG1-CE1 4.07Å; I237-Y342 HydrophobicContact CG1-CG 4.13Å; I237-Y342 HydrophobicContact CG2-CG 4.42Å
238P96.2Very high87.4Confident86 Ų8659 Ų5956%0.55833%0.329SS*.THydrogen-bonded Turntrans-60.3139.3177.3-24.135.1000112.1L236 I240 Y342L236-P238 VanDerWaalsContact O-CD 3.3Å; L236-P238 WeakPolarHBondContact O-CD 3.13Å; P238-I240 VanDerWaalsContact C-N 3.27Å; P238-I240 PolarHBondContact O-N 3.21Å; P238-Y342 VanDerWaalsContact CD-CD2 3.45Å; P238-Y342 HydrophobicContact CG-CD2 4.32Å
239G95.1Very high86.8Confident24 Ų2464.1 Ų64.125%0.24736%0.357CS..THydrogen-bonded Turntrans81.7-7.4178.800000115.4Y241 D242G239-Y241 PolarHBondContact O-N 3.34Å; G239-Y241 VanDerWaalsContact O-N 3.12Å; G239-D242 WeakPolarHBondContact CA-OD2 3.1Å; G239-D242 WeakPolarHBondContact O-CB 3.37Å; G239-D242 PolarHBondContact O-N 3.45Å; G239-D242 VanDerWaalsContact O-N 3.13Å
240I92.5Very high86.5Confident2 Ų266.7 Ų66.71%0.0137%0.367CS..THydrogen-bonded Turntrans-61.8-26.4-175.3-162.964.9000113.4I235 I237 P238 I324 Q330 V335I235-I240 HydrophobicContact CB-CG2 4.13Å; I235-I240 HydrophobicContact CG2-CB 4.44Å; I235-I240 HydrophobicContact CG2-CG1 4.2Å; I235-I240 HydrophobicContact CG2-CG2 3.94Å; I237-I240 HydrophobicContact CB-CB 4.26Å; I237-I240 HydrophobicContact CG2-CB 4.43Å; I237-I240 WeakPolarHBondContact O-CB 3.07Å; I237-I240 WeakPolarHBondContact O-CG2 3.34Å; I237-I240 PolarHBondContact O-N 2.65Å; P238-I240 VanDerWaalsContact C-N 3.27Å; P238-I240 PolarHBondContact O-N 3.21Å; I240-I324 HydrophobicContact CD1-CD1 4.42Å; I240-Q330 PolarHBondContact O-NE2 3.07Å; I240-V335 HydrophobicContact CD1-CB 4.41Å; I240-V335 HydrophobicContact CD1-CG1 3.67Å; I240-V335 HydrophobicContact CD1-CG2 4.16Å
241Y90.4Very high86.2Confident78 Ų7865.4 Ų65.431%0.30636%0.359SS..THydrogen-bonded Turntrans-95-3.8-177.7-63.8-73.4000113.8K234 I235 G239 Q243 V244 H294K234-Y241 HydrophobicContact CG-CE2 4.23Å; I235-Y241 HydrophobicContact CB-CE2 4.45Å; I235-Y241 PolarHBondContact N-OH 3.2Å; I235-Y241 WeakPolarHBondContact O-CE2 3.38Å; G239-Y241 PolarHBondContact O-N 3.34Å; G239-Y241 VanDerWaalsContact O-N 3.12Å; Y241-Q243 VanDerWaalsContact C-N 3.31Å; Y241-Q243 PolarHBondContact O-N 2.75Å; Y241-V244 HydrophobicContact CD1-CG2 4.38Å; Y241-V244 WeakPolarHBondContact O-CB 3.4Å; Y241-V244 VanDerWaalsContact O-CG2 3.31Å; Y241-V244 WeakPolarHBondContact O-CG2 3.36Å; Y241-V244 PolarHBondContact O-N 2.97Å; Y241-H294 AromaticContact CD1-CE1 3.84Å; Y241-H294 AromaticContact CD1-ND1 3.44Å; Y241-H294 WeakPolarHBondContact CD1-ND1 3.29Å; Y241-H294 HydrophobicContact CE1-CB 4.49Å; Y241-H294 AromaticContact CE1-ND1 3.21Å; Y241-H294 WeakPolarHBondContact CE1-ND1 3.18Å
242D92.3Very high86.1Confident138 Ų13860.7 Ų60.774%0.73834%0.338SS*.THydrogen-bonded Turntrans-69-29.8-167.3-66.7-1000112.8G239G239-D242 WeakPolarHBondContact CA-OD2 3.1Å; G239-D242 WeakPolarHBondContact O-CB 3.37Å; G239-D242 PolarHBondContact O-N 3.45Å; G239-D242 VanDerWaalsContact O-N 3.13Å
243Q89.1Confident86.4Confident54 Ų5463.1 Ų63.125%0.25235%0.347SS..THydrogen-bonded Turntrans-97.88-179.1-59.8-168-33.500114Y241 A245 D329 Q330 E334Y241-Q243 VanDerWaalsContact C-N 3.31Å; Y241-Q243 PolarHBondContact O-N 2.75Å; Q243-A245 PolarHBondContact O-N 2.73Å; Q243-D329 PolarHBondContact O-N 3.33Å; Q243-Q330 HydrophobicContact CB-CG 4.1Å; Q243-E334 PolarHBondContact NE2-OE1 2.9Å; Q243-E334 PolarHBondContact NE2-OE2 3.45Å
244V87.8Confident86.6Confident43 Ų4363.9 Ų63.926%0.26134%0.344SS..PPolyproline II helixtrans-77.4118.9-173-178.50000109.4Y241 H294 V327Y241-V244 HydrophobicContact CD1-CG2 4.38Å; Y241-V244 WeakPolarHBondContact O-CB 3.4Å; Y241-V244 VanDerWaalsContact O-CG2 3.31Å; Y241-V244 WeakPolarHBondContact O-CG2 3.36Å; Y241-V244 PolarHBondContact O-N 2.97Å; V244-H294 WeakPolarHBondContact CG2-CE1 3.38Å; V244-V327 HydrophobicContact CG1-CG2 3.86Å; V244-V327 HydrophobicContact CG2-CG2 4.31Å
245A84.5Confident86.3Confident28 Ų2858.6 Ų58.623%0.23132%0.321CS..PPolyproline II helixtrans-61.6139.5177.700000110.5Q243 P328Q243-A245 PolarHBondContact O-N 2.73Å; A245-P328 HydrophobicContact CB-CB 4.37Å; A245-P328 VanDerWaalsContact CB-O 3.26Å; A245-P328 WeakPolarHBondContact CB-O 3.19Å; A245-P328 PolarHBondContact N-O 3.1Å
246A78.6Confident85.6Confident87 Ų8762.6 Ų62.672%0.71935%0.346SS*.PPolyproline II helixtrans-75.5147.8173.300000110.5T248A246-T248 PolarHBondContact O-N 2.93Å
247F73.8Confident84.7Confident59 Ų5965.4 Ų65.426%0.25936%0.361SS..PPolyproline II helixtrans-60.6126.7172.1-81-91.7000111.5E251 K252 Y255 M288 Y292F247-E251 HydrophobicContact CD1-CB 4.48Å; F247-K252 HydrophobicContact CB-CD 4.35Å; F247-K252 VanDerWaalsContact CB-CE 3.43Å; F247-K252 HydrophobicContact CB-CG 3.97Å; F247-K252 HydrophobicContact CD1-CG 4.33Å; F247-K252 HydrophobicContact CG-CG 4.43Å; F247-K252 WeakPolarHBondContact O-CE 3.29Å; F247-Y255 HydrophobicContact CE1-CD2 4.21Å; F247-Y255 HydrophobicContact CE1-CE2 4.04Å; F247-M288 HydrophobicContact CE1-CB 4.31Å; F247-M288 HydrophobicContact CE1-CG 4.4Å; F247-M288 HydrophobicContact CE1-SD 3.93Å; F247-M288 HydrophobicContact CZ-CB 3.89Å; F247-M288 HydrophobicContact CZ-CG 4.44Å; F247-M288 HydrophobicContact CZ-SD 4.2Å; F247-Y292 HydrophobicContact CD1-CD2 4.28Å; F247-Y292 HydrophobicContact CD1-CE1 4.4Å; F247-Y292 HydrophobicContact CD1-CE2 4.04Å; F247-Y292 HydrophobicContact CD2-CD1 4.46Å; F247-Y292 HydrophobicContact CD2-CG 4.39Å; F247-Y292 HydrophobicContact CE1-CD1 4.3Å; F247-Y292 AromaticContact CE1-CD2 3.28Å; F247-Y292 HydrophobicContact CE1-CD2 3.28Å; F247-Y292 HydrophobicContact CE1-CE1 4.27Å; F247-Y292 AromaticContact CE1-CE2 3.28Å; F247-Y292 HydrophobicContact CE1-CE2 3.28Å; F247-Y292 AromaticContact CE1-CG 3.82Å; F247-Y292 HydrophobicContact CE1-CG 3.82Å; F247-Y292 AromaticContact CE1-CZ 3.78Å; F247-Y292 HydrophobicContact CE2-CD1 4.08Å; F247-Y292 AromaticContact CE2-CD2 3.89Å; F247-Y292 HydrophobicContact CE2-CD2 3.89Å; F247-Y292 AromaticContact CE2-CG 3.6Å; F247-Y292 HydrophobicContact CE2-CG 3.6Å; F247-Y292 AromaticContact CZ-CD1 4Å; F247-Y292 HydrophobicContact CZ-CD1 4Å; F247-Y292 AromaticContact CZ-CD2 3.04Å; F247-Y292 HydrophobicContact CZ-CD2 3.04Å; F247-Y292 HydrophobicContact CZ-CE1 4.43Å; F247-Y292 AromaticContact CZ-CE2 3.61Å; F247-Y292 HydrophobicContact CZ-CE2 3.61Å; F247-Y292 AromaticContact CZ-CG 3.26Å; F247-Y292 HydrophobicContact CZ-CG 3.26Å
248T80.8Confident83.9Confident69 Ų6966 Ų6642%0.42336%0.364SS..PPolyproline II helixtrans-69.9154.5165.266.40000110.2A246 E250 E251 K252A246-T248 PolarHBondContact O-N 2.93Å; T248-E250 PolarHBondContact O-N 3.34Å; T248-E251 PolarHBondContact N-OE2 3.14Å; T248-E251 PolarHBondContact O-N 3.04Å; T248-E251 WeakPolarHBondContact OG1-CB 2.97Å; T248-E251 VanDerWaalsContact OG1-CD 3.25Å; T248-E251 WeakPolarHBondContact OG1-CG 3.26Å; T248-E251 PolarHBondContact OG1-N 2.95Å; T248-E251 VanDerWaalsContact OG1-N 3.15Å; T248-E251 PolarHBondContact OG1-OE2 2.99Å; T248-K252 WeakPolarHBondContact O-CG 3.34Å; T248-K252 PolarHBondContact O-N 2.97Å; T248-K252 VanDerWaalsContact O-N 3.15Å
249D83.2Confident83.1Confident109 Ų10966.4 Ų66.458%0.58336%0.362SS*.Hα-helixtrans-68.5-26.8176.8-69-26.3000112.2K252 Q253D249-K252 IonicContact OD1-NZ 2.7Å; D249-K252 PolarHBondContact OD1-NZ 3.48Å; D249-Q253 WeakPolarHBondContact O-CG 3.32Å; D249-Q253 PolarHBondContact O-N 3.1Å
250E85.3Confident82.1Confident91 Ų9167 Ų6743%0.42536%0.357SS..Hα-helixtrans-65.2-48.1173-176.1174-164.400111.3T248 K252 Q253 L254 F371 H372T248-E250 PolarHBondContact O-N 3.34Å; E250-K252 VanDerWaalsContact C-N 3.35Å; E250-K252 PolarHBondContact O-N 3.25Å; E250-Q253 WeakPolarHBondContact O-CB 3.44Å; E250-Q253 PolarHBondContact O-N 2.79Å; E250-Q253 VanDerWaalsContact O-N 3.14Å; E250-L254 PolarHBondContact O-N 3.38Å; E250-L254 VanDerWaalsContact O-N 3.13Å; E250-F371 HydrophobicContact CG-CZ 4.19Å; E250-H372 IonicContact OE1-CE1 3.07Å; E250-H372 PolarHBondContact OE1-CE1 2.84Å; E250-H372 IonicContact OE1-NE2 2.8Å; E250-H372 PolarHBondContact OE1-NE2 2.87Å; E250-H372 IonicContact OE2-NE2 3.9Å
251E80Confident81Confident22 Ų2269.8 Ų69.810%0.10337%0.372CS..Hα-helixtrans-61.1-43.2176.7-74.3166.3143.800111.7F247 T248 Q253 L254 Y255 Y292F247-E251 HydrophobicContact CD1-CB 4.48Å; T248-E251 PolarHBondContact N-OE2 3.14Å; T248-E251 PolarHBondContact O-N 3.04Å; T248-E251 WeakPolarHBondContact OG1-CB 2.97Å; T248-E251 VanDerWaalsContact OG1-CD 3.25Å; T248-E251 WeakPolarHBondContact OG1-CG 3.26Å; T248-E251 PolarHBondContact OG1-N 2.95Å; T248-E251 VanDerWaalsContact OG1-N 3.15Å; T248-E251 PolarHBondContact OG1-OE2 2.99Å; E251-Q253 PolarHBondContact O-N 3.37Å; E251-L254 WeakPolarHBondContact O-CB 3.23Å; E251-L254 PolarHBondContact O-N 3.34Å; E251-L254 VanDerWaalsContact O-N 3.11Å; E251-Y255 HydrophobicContact CB-CE2 4.2Å; E251-Y255 WeakPolarHBondContact O-CD2 3.49Å; E251-Y255 PolarHBondContact O-N 2.94Å; E251-Y292 PolarHBondContact OE1-OH 3.44Å
252K79.2Confident79.8Confident90 Ų9066.2 Ų66.239%0.39136%0.359SS..Hα-helixtrans-56.1-40.4176.3-69.1172.1-158.7156.40111.6F247 T248 D249 E250 Y255 T256F247-K252 HydrophobicContact CB-CD 4.35Å; F247-K252 VanDerWaalsContact CB-CE 3.43Å; F247-K252 HydrophobicContact CB-CG 3.97Å; F247-K252 HydrophobicContact CD1-CG 4.33Å; F247-K252 HydrophobicContact CG-CG 4.43Å; F247-K252 WeakPolarHBondContact O-CE 3.29Å; T248-K252 WeakPolarHBondContact O-CG 3.34Å; T248-K252 PolarHBondContact O-N 2.97Å; T248-K252 VanDerWaalsContact O-N 3.15Å; D249-K252 IonicContact OD1-NZ 2.7Å; D249-K252 PolarHBondContact OD1-NZ 3.48Å; E250-K252 VanDerWaalsContact C-N 3.35Å; E250-K252 PolarHBondContact O-N 3.25Å; K252-Y255 PolarHBondContact O-N 3.03Å; K252-T256 WeakPolarHBondContact O-CG2 3.42Å; K252-T256 PolarHBondContact O-N 3.04Å
253Q82.2Confident78.4Confident130 Ų13062.3 Ų62.361%0.60734%0.34SS*.Hα-helixtrans-67.5-38.8178.6-71173.324.600112D249 E250 E251 Y255 T256D249-Q253 WeakPolarHBondContact O-CG 3.32Å; D249-Q253 PolarHBondContact O-N 3.1Å; E250-Q253 WeakPolarHBondContact O-CB 3.44Å; E250-Q253 PolarHBondContact O-N 2.79Å; E250-Q253 VanDerWaalsContact O-N 3.14Å; E251-Q253 PolarHBondContact O-N 3.37Å; Q253-Y255 VanDerWaalsContact C-N 3.27Å; Q253-Y255 PolarHBondContact O-N 3.01Å; Q253-T256 PolarHBondContact O-N 2.89Å; Q253-T256 PolarHBondContact O-OG1 2.98Å
254L83Confident77.2Confident45 Ų4563.4 Ų63.424%0.23635%0.35CS..Hα-helixtrans-56.3-44.8173.9-66.2176.9000111Y186 E250 E251 T256 F371 L393Y186-L254 HydrophobicContact CE1-CD1 4.14Å; E250-L254 PolarHBondContact O-N 3.38Å; E250-L254 VanDerWaalsContact O-N 3.13Å; E251-L254 WeakPolarHBondContact O-CB 3.23Å; E251-L254 PolarHBondContact O-N 3.34Å; E251-L254 VanDerWaalsContact O-N 3.11Å; L254-T256 VanDerWaalsContact C-N 3.33Å; L254-T256 PolarHBondContact O-N 3.23Å; L254-F371 HydrophobicContact CD1-CE1 4Å; L254-F371 HydrophobicContact CD1-CE2 4.21Å; L254-F371 HydrophobicContact CD1-CZ 3.77Å; L254-L393 HydrophobicContact CD1-CB 4.29Å; L254-L393 HydrophobicContact CD1-CD1 4.35Å; L254-L393 HydrophobicContact CD2-CB 4.36Å; L254-L393 HydrophobicContact CD2-CD1 4.12Å
255Y76.9Confident76.2Confident2 Ų262.4 Ų62.41%0.00834%0.343CS..Hα-helixtrans-71.1-22.1-178.3-64.9-62.8000114.5Y186 F247 E251 K252 Q253 N257 I258 Y287 M288 L291 Y292 R395Y186-Y255 PolarHBondContact OH-OH 2.89Å; Y186-Y255 VanDerWaalsContact OH-OH 3.12Å; F247-Y255 HydrophobicContact CE1-CD2 4.21Å; F247-Y255 HydrophobicContact CE1-CE2 4.04Å; E251-Y255 HydrophobicContact CB-CE2 4.2Å; E251-Y255 WeakPolarHBondContact O-CD2 3.49Å; E251-Y255 PolarHBondContact O-N 2.94Å; K252-Y255 PolarHBondContact O-N 3.03Å; Q253-Y255 VanDerWaalsContact C-N 3.27Å; Q253-Y255 PolarHBondContact O-N 3.01Å; Y255-N257 VanDerWaalsContact C-N 3.26Å; Y255-N257 PolarHBondContact O-N 3.47Å; Y255-I258 HydrophobicContact CD1-CD1 3.44Å; Y255-I258 VanDerWaalsContact CD1-CD1 3.44Å; Y255-I258 HydrophobicContact CE1-CD1 3.93Å; Y255-I258 HydrophobicContact CG-CD1 4.46Å; Y255-Y287 AromaticContact CD1-CD1 3.99Å; Y255-Y287 HydrophobicContact CD1-CD1 3.99Å; Y255-Y287 AromaticContact CD1-CE1 3.92Å; Y255-Y287 HydrophobicContact CD1-CE1 3.92Å; Y255-Y287 HydrophobicContact CE1-CD1 4.18Å; Y255-Y287 AromaticContact CE1-CE1 3.76Å; Y255-Y287 HydrophobicContact CE1-CE1 3.76Å; Y255-M288 HydrophobicContact CD1-CG 4.2Å; Y255-M288 HydrophobicContact CD2-CG 4.06Å; Y255-M288 HydrophobicContact CD2-SD 3.88Å; Y255-M288 HydrophobicContact CG-CG 3.82Å; Y255-M288 HydrophobicContact CG-SD 3.94Å; Y255-L291 HydrophobicContact CD1-CD1 4.33Å; Y255-L291 HydrophobicContact CE1-CD1 3.33Å; Y255-L291 WeakPolarHBondContact OH-CD1 3.23Å; Y255-Y292 HydrophobicContact CE2-CE2 4.08Å; Y255-R395 WeakPolarHBondContact OH-CD 3.49Å; Y255-R395 WeakPolarHBondContact OH-CG 3.37Å
256T76Confident75.2Confident87 Ų8764.5 Ų64.553%0.53436%0.356SS..Hα-helixtrans-65.2-26.4178.853.90000114.5K252 Q253 L254K252-T256 WeakPolarHBondContact O-CG2 3.42Å; K252-T256 PolarHBondContact O-N 3.04Å; Q253-T256 PolarHBondContact O-N 2.89Å; Q253-T256 PolarHBondContact O-OG1 2.98Å; L254-T256 VanDerWaalsContact C-N 3.33Å; L254-T256 PolarHBondContact O-N 3.23Å
257N75.8Confident74.8Confident126 Ų12662.5 Ų62.567%0.67433%0.33SS*.THydrogen-bonded Turntrans-112.98.1-172.4-63.2-46.9000113.7Y255 D259Y255-N257 VanDerWaalsContact C-N 3.26Å; Y255-N257 PolarHBondContact O-N 3.47Å; N257-D259 PolarHBondContact O-N 3.23Å
258I80Confident74.4Confident17 Ų1760.7 Ų60.79%0.08732%0.321CS..  trans-64130.8178.6-69.2-173.5000109.5Y255 F260 Y287 D392 T394Y255-I258 HydrophobicContact CD1-CD1 3.44Å; Y255-I258 VanDerWaalsContact CD1-CD1 3.44Å; Y255-I258 HydrophobicContact CE1-CD1 3.93Å; Y255-I258 HydrophobicContact CG-CD1 4.46Å; I258-F260 HydrophobicContact CG2-CB 3.82Å; I258-F260 PolarHBondContact O-N 3.12Å; I258-Y287 HydrophobicContact CD1-CD1 4.06Å; I258-Y287 HydrophobicContact CD1-CE1 3.51Å; I258-D392 WeakPolarHBondContact CA-OD2 3.27Å; I258-D392 HydrophobicContact CG1-CB 4.4Å; I258-T394 HydrophobicContact CD1-CG2 4.36Å
259D78.9Confident73.4Confident94 Ų9463.9 Ų63.950%0.50333%0.325SS..  trans-79.674.7176.9-16925.1000110K181 N257 D392K181-D259 HydrophobicContact CB-CB 3.98Å; K181-D259 HydrophobicContact CD-CB 3.44Å; K181-D259 VanDerWaalsContact CD-CB 3.44Å; K181-D259 HydrophobicContact CG-CB 4.37Å; N257-D259 PolarHBondContact O-N 3.23Å; D259-D392 PolarHBondContact N-OD2 3.35Å
260F74.7Confident72.4Confident35 Ų3565.8 Ų65.815%0.15434%0.336CS..  trans-141.8128.4177.1177.4-107000110.6V177 I258 I262 E265 W268V177-F260 HydrophobicContact CG1-CB 3.78Å; V177-F260 HydrophobicContact CG1-CD1 4.33Å; V177-F260 HydrophobicContact CG1-CD2 3.55Å; V177-F260 HydrophobicContact CG1-CE2 4.18Å; V177-F260 HydrophobicContact CG1-CG 3.62Å; I258-F260 HydrophobicContact CG2-CB 3.82Å; I258-F260 PolarHBondContact O-N 3.12Å; F260-I262 HydrophobicContact CE1-CB 4.14Å; F260-I262 HydrophobicContact CZ-CB 4.2Å; F260-E265 HydrophobicContact CD2-CG 3.97Å; F260-E265 HydrophobicContact CE2-CB 4.42Å; F260-E265 HydrophobicContact CE2-CG 3.82Å; F260-W268 AromaticContact CE2-CD1 3.94Å; F260-W268 AromaticContact CE2-NE1 3.61Å; F260-W268 AromaticContact CZ-CD1 3.86Å; F260-W268 AromaticContact CZ-NE1 3.44Å
261N68.2Low71.5Confident61 Ų6164.8 Ų64.833%0.32633%0.333SS..  trans-137.9109.4172.7177-7.7000110.1V263 T264 E265N261-V263 PolarHBondContact O-N 3.15Å; N261-V263 VanDerWaalsContact OD1-CB 3.29Å; N261-V263 WeakPolarHBondContact OD1-CB 3.27Å; N261-V263 PolarHBondContact OD1-N 3.19Å; N261-T264 HydrophobicContact CB-CG2 4.48Å; N261-T264 VanDerWaalsContact CB-OG1 3.28Å; N261-T264 WeakPolarHBondContact CB-OG1 3.31Å; N261-T264 PolarHBondContact O-N 3.16Å; N261-T264 PolarHBondContact O-OG1 3.26Å; N261-E265 WeakPolarHBondContact O-CG 3.28Å; N261-E265 PolarHBondContact O-N 2.84Å
262I66Low70.4Confident4 Ų467.7 Ų67.72%0.02135%0.347CS..THydrogen-bonded Turntrans-54.6-25.4-179.8-161.9169.3000113.8F260 W268 L275 R283 Q286F260-I262 HydrophobicContact CE1-CB 4.14Å; F260-I262 HydrophobicContact CZ-CB 4.2Å; I262-W268 HydrophobicContact CD1-CD2 4.11Å; I262-W268 HydrophobicContact CD1-CE3 3.84Å; I262-W268 HydrophobicContact CD1-CZ3 4.4Å; I262-W268 HydrophobicContact CG1-CB 3.71Å; I262-W268 HydrophobicContact CG1-CD2 3.76Å; I262-W268 HydrophobicContact CG1-CE3 3.94Å; I262-W268 HydrophobicContact CG1-CG 3.65Å; I262-W268 VanDerWaalsContact O-CB 3.28Å; I262-W268 WeakPolarHBondContact O-CB 3.18Å; I262-L275 HydrophobicContact CD1-CD1 3.55Å; I262-L275 HydrophobicContact CD1-CD2 4.1Å; I262-L275 HydrophobicContact CD1-CG 4.49Å; I262-L275 HydrophobicContact CG1-CD1 4.38Å; I262-R283 HydrophobicContact CG2-CB 3.87Å; I262-R283 VanDerWaalsContact CG2-CD 3.42Å; I262-R283 HydrophobicContact CG2-CG 3.59Å; I262-Q286 VanDerWaalsContact CD1-OE1 3.23Å
263V62.3Low69.5Low56 Ų5672.8 Ų72.834%0.33937%0.372SS..THydrogen-bonded Turntrans-77.2-38.8177.4-175.90000111.3N261 R269N261-V263 PolarHBondContact O-N 3.15Å; N261-V263 VanDerWaalsContact OD1-CB 3.29Å; N261-V263 WeakPolarHBondContact OD1-CB 3.27Å; N261-V263 PolarHBondContact OD1-N 3.19Å; V263-R269 PolarHBondContact O-NE 3.31Å
264T63.2Low68.4Low77 Ų7771.7 Ų71.747%0.47237%0.374SS..THydrogen-bonded Turntrans-83-31.6-176.653.50000111.6N261 S266 R269N261-T264 HydrophobicContact CB-CG2 4.48Å; N261-T264 VanDerWaalsContact CB-OG1 3.28Å; N261-T264 WeakPolarHBondContact CB-OG1 3.31Å; N261-T264 PolarHBondContact O-N 3.16Å; N261-T264 PolarHBondContact O-OG1 3.26Å; T264-S266 PolarHBondContact O-N 2.78Å; T264-S266 VanDerWaalsContact O-N 3.1Å; T264-R269 PolarHBondContact O-NH2 2.81Å
265E66.8Low67.4Low22 Ų2271.4 Ų71.410%0.10337%0.372CS..  trans-68.4106.4179.2-70.3-62.1166.300111G178 C179 F260 N261 Y267 W268 R269G178-E265 WeakPolarHBondContact CA-OE1 3.43Å; C179-E265 PolarHBondContact N-OE1 2.67Å; C179-E265 PolarHBondContact SG-OE2 3.29Å; F260-E265 HydrophobicContact CD2-CG 3.97Å; F260-E265 HydrophobicContact CE2-CB 4.42Å; F260-E265 HydrophobicContact CE2-CG 3.82Å; N261-E265 WeakPolarHBondContact O-CG 3.28Å; N261-E265 PolarHBondContact O-N 2.84Å; E265-Y267 HydrophobicContact CB-CD1 3.99Å; E265-Y267 HydrophobicContact CB-CE1 3.68Å; E265-Y267 HydrophobicContact CG-CE1 4.02Å; E265-Y267 PolarHBondContact O-N 3.12Å; E265-Y267 VanDerWaalsContact O-N 3.13Å; E265-Y267 WeakPolarHBondContact OE2-CE1 3.05Å; E265-W268 HydrophobicContact CB-CG 4.48Å; E265-W268 WeakPolarHBondContact O-CB 3.43Å; E265-W268 PolarHBondContact O-N 3.34Å; E265-R269 PolarHBondContact O-N 3.3Å
266S64.9Low66.5Low72 Ų7274.8 Ų74.850%0.50340%0.4SS..Hα-helixtrans-61.2-28.6-168.662.30000113.8T264 W268 R269T264-S266 PolarHBondContact O-N 2.78Å; T264-S266 VanDerWaalsContact O-N 3.1Å; S266-W268 VanDerWaalsContact C-N 3.27Å; S266-W268 PolarHBondContact O-N 2.89Å; S266-R269 WeakPolarHBondContact O-CB 3.45Å; S266-R269 PolarHBondContact O-N 3.21Å
267Y69.2Low65.6Low44 Ų4474.4 Ų74.417%0.17339%0.389CS..Hα-helixtrans-71.3-22.2177.771.1-88.7000113V177 E265 G422 D423V177-Y267 PolarHBondContact O-OH 3.43Å; E265-Y267 HydrophobicContact CB-CD1 3.99Å; E265-Y267 HydrophobicContact CB-CE1 3.68Å; E265-Y267 HydrophobicContact CG-CE1 4.02Å; E265-Y267 PolarHBondContact O-N 3.12Å; E265-Y267 VanDerWaalsContact O-N 3.13Å; E265-Y267 WeakPolarHBondContact OE2-CE1 3.05Å; Y267-G422 WeakPolarHBondContact CE2-O 3.34Å; Y267-D423 HydrophobicContact CD1-CB 3.53Å; Y267-D423 HydrophobicContact CE1-CB 4.18Å; Y267-D423 HydrophobicContact CG-CB 3.8Å
268W65.5Low64.4Low21 Ų2173.2 Ų73.28%0.0839%0.39CS..Hα-helixtrans-84.3-21.4171.1-75.899.8000114F260 I262 E265 S266 N270 L271 E272 L275F260-W268 AromaticContact CE2-CD1 3.94Å; F260-W268 AromaticContact CE2-NE1 3.61Å; F260-W268 AromaticContact CZ-CD1 3.86Å; F260-W268 AromaticContact CZ-NE1 3.44Å; I262-W268 HydrophobicContact CD1-CD2 4.11Å; I262-W268 HydrophobicContact CD1-CE3 3.84Å; I262-W268 HydrophobicContact CD1-CZ3 4.4Å; I262-W268 HydrophobicContact CG1-CB 3.71Å; I262-W268 HydrophobicContact CG1-CD2 3.76Å; I262-W268 HydrophobicContact CG1-CE3 3.94Å; I262-W268 HydrophobicContact CG1-CG 3.65Å; I262-W268 VanDerWaalsContact O-CB 3.28Å; I262-W268 WeakPolarHBondContact O-CB 3.18Å; E265-W268 HydrophobicContact CB-CG 4.48Å; E265-W268 WeakPolarHBondContact O-CB 3.43Å; E265-W268 PolarHBondContact O-N 3.34Å; S266-W268 VanDerWaalsContact C-N 3.27Å; S266-W268 PolarHBondContact O-N 2.89Å; W268-N270 PolarHBondContact O-N 3.38Å; W268-L271 HydrophobicContact CD2-CD1 4.34Å; W268-L271 HydrophobicContact CE3-CB 4.17Å; W268-L271 HydrophobicContact CE3-CD1 3.56Å; W268-L271 HydrophobicContact CE3-CG 4.46Å; W268-L271 HydrophobicContact CH2-CD1 4.39Å; W268-L271 HydrophobicContact CZ3-CD1 3.6Å; W268-L271 WeakPolarHBondContact O-CA 3.23Å; W268-L271 VanDerWaalsContact O-CB 3.32Å; W268-L271 WeakPolarHBondContact O-CB 3.43Å; W268-L271 PolarHBondContact O-N 3.01Å; W268-E272 PolarHBondContact O-N 2.85Å; W268-L275 HydrophobicContact CE3-CD2 4.21Å; W268-L275 HydrophobicContact CZ3-CD2 4.12Å
269R60.1Low63.2Low136 Ų13676.3 Ų76.351%0.51341%0.407SS..Hα-helixtrans-60.1-33.4-175.4-70.2-176.3-178.2172.25.2112.9V263 T264 E265 S266 L271 E272V263-R269 PolarHBondContact O-NE 3.31Å; T264-R269 PolarHBondContact O-NH2 2.81Å; E265-R269 PolarHBondContact O-N 3.3Å; S266-R269 WeakPolarHBondContact O-CB 3.45Å; S266-R269 PolarHBondContact O-N 3.21Å; R269-L271 PolarHBondContact O-N 3.41Å; R269-E272 PolarHBondContact O-N 3.44Å
270N63.1Low61.6Low149 Ų14979.2 Ų79.280%0.79742%0.416SS*.THydrogen-bonded Turntrans-72.7-10.2174.8-65-21.6000113.1W268W268-N270 PolarHBondContact O-N 3.38Å
271L65Low60.1Low70 Ų7086.3 Ų86.337%0.36644%0.443SS..THydrogen-bonded Turntrans-101.7-11.2179.6-58.8176.6000113W268 R269 E273 V274 L275W268-L271 HydrophobicContact CD2-CD1 4.34Å; W268-L271 HydrophobicContact CE3-CB 4.17Å; W268-L271 HydrophobicContact CE3-CD1 3.56Å; W268-L271 HydrophobicContact CE3-CG 4.46Å; W268-L271 HydrophobicContact CH2-CD1 4.39Å; W268-L271 HydrophobicContact CZ3-CD1 3.6Å; W268-L271 WeakPolarHBondContact O-CA 3.23Å; W268-L271 VanDerWaalsContact O-CB 3.32Å; W268-L271 WeakPolarHBondContact O-CB 3.43Å; W268-L271 PolarHBondContact O-N 3.01Å; R269-L271 PolarHBondContact O-N 3.41Å; L271-E273 PolarHBondContact O-N 2.69Å; L271-E273 VanDerWaalsContact O-N 3.12Å; L271-V274 HydrophobicContact CB-CG2 4.09Å; L271-V274 HydrophobicContact CD2-CG2 3.94Å; L271-V274 CarbonylContact O-C 3.58Å; L271-V274 WeakPolarHBondContact O-CG2 3.33Å; L271-V274 PolarHBondContact O-N 3.39Å; L271-L275 HydrophobicContact CB-CD2 4.44Å; L271-L275 WeakPolarHBondContact O-CG 3.43Å; L271-L275 PolarHBondContact O-N 2.86Å
272E58.1Low59.3Low84 Ų8484.6 Ų84.639%0.39344%0.435SS..G310 helixtrans-53.2-38.4-173.7-77.6-170.5164.500113.1W268 R269 V274W268-E272 PolarHBondContact O-N 2.85Å; R269-E272 PolarHBondContact O-N 3.44Å; E272-V274 VanDerWaalsContact C-N 3.32Å; E272-V274 PolarHBondContact O-N 3.38Å
273E58.8Low58.8Low196 Ų19687.6 Ų87.692%0.91645%0.446SS*.G310 helixtrans-73.8-20.7179.4-63.1-173.4171.500113.8L271L271-E273 PolarHBondContact O-N 2.69Å; L271-E273 VanDerWaalsContact O-N 3.12Å
274V60.6Low58.3Low108 Ų10888 Ų8866%0.65545%0.446SS*.G310 helixtrans-107.12.2-177.9-62.80000113.1L271 E272 A276L271-V274 HydrophobicContact CB-CG2 4.09Å; L271-V274 HydrophobicContact CD2-CG2 3.94Å; L271-V274 CarbonylContact O-C 3.58Å; L271-V274 WeakPolarHBondContact O-CG2 3.33Å; L271-V274 PolarHBondContact O-N 3.39Å; E272-V274 VanDerWaalsContact C-N 3.32Å; E272-V274 PolarHBondContact O-N 3.38Å; V274-A276 PolarHBondContact O-N 2.92Å; V274-A276 VanDerWaalsContact O-N 3.15Å
275L62.3Low57.7Low39 Ų3986.2 Ų86.220%0.20444%0.436CS..  trans-64.6116.8174.5-66.3179.9000109.7I262 W268 L271 R277I262-L275 HydrophobicContact CD1-CD1 3.55Å; I262-L275 HydrophobicContact CD1-CD2 4.1Å; I262-L275 HydrophobicContact CD1-CG 4.49Å; I262-L275 HydrophobicContact CG1-CD1 4.38Å; W268-L275 HydrophobicContact CE3-CD2 4.21Å; W268-L275 HydrophobicContact CZ3-CD2 4.12Å; L271-L275 HydrophobicContact CB-CD2 4.44Å; L271-L275 WeakPolarHBondContact O-CG 3.43Å; L271-L275 PolarHBondContact O-N 2.86Å; L275-R277 PolarHBondContact O-N 2.79Å
276A57.6Low57.1Low72 Ų7286.4 Ų86.460%0.59544%0.437SS*.SBendtrans-60.8-10.3-179.900000114.2V274V274-A276 PolarHBondContact O-N 2.92Å; V274-A276 VanDerWaalsContact O-N 3.15Å
277R57.4Low56.8Low80 Ų8083.8 Ų83.830%0.30242%0.416SS..  trans-145.8127.7-175.9-47.9-177.5177.5175.90.4109.7N232 L275 T282 Q286N232-R277 PolarHBondContact O-NE 3.24Å; N232-R277 PolarHBondContact O-NH2 3.38Å; L275-R277 PolarHBondContact O-N 2.79Å; R277-T282 VanDerWaalsContact C-CG2 3.41Å; R277-T282 HydrophobicContact CB-CG2 3.06Å; R277-T282 HydrophobicContact CG-CG2 4.28Å; R277-T282 WeakPolarHBondContact O-CG2 3.17Å; R277-Q286 PolarHBondContact O-NE2 2.85Å
278S50.5Low56.3Low100 Ų10083.1 Ų83.170%0.69942%0.415SS*.  trans-110.9-7.6-159.9540000117.7R283S278-R283 PolarHBondContact O-NH2 3.33Å
279D53.8Low55.6Low83 Ų8383.1 Ų83.144%0.44442%0.417SS..SBendtrans-90.1158.9-176.576.865.2000114.2Y281 T282 R283D279-Y281 PolarHBondContact O-N 3.22Å; D279-Y281 WeakPolarHBondContact OD1-CB 3.39Å; D279-Y281 PolarHBondContact OD1-N 3.02Å; D279-Y281 VanDerWaalsContact OD1-N 3.1Å; D279-T282 CarbonylContact O-C 3.56Å; D279-T282 WeakPolarHBondContact O-CA 3.34Å; D279-T282 WeakPolarHBondContact O-CB 3.46Å; D279-T282 PolarHBondContact O-N 3.38Å; D279-T282 WeakPolarHBondContact OD1-CB 3.16Å; D279-T282 PolarHBondContact OD1-N 2.93Å; D279-T282 PolarHBondContact OD1-OG1 3.02Å; D279-T282 VanDerWaalsContact OD1-OG1 3.1Å; D279-T282 WeakPolarHBondContact OD2-CB 3.49Å; D279-T282 PolarHBondContact OD2-OG1 2.81Å; D279-R283 WeakPolarHBondContact O-CG 3.09Å; D279-R283 PolarHBondContact O-N 3.36Å
280F44.5Very low55.5Low154 Ų15481.4 Ų81.468%0.67541%0.411SS*.Hα-helixtrans-66.1-36-175.5-178-93.6000113.4T282 R283 L284F280-T282 PolarHBondContact O-N 2.65Å; F280-R283 WeakPolarHBondContact O-CB 3.19Å; F280-R283 PolarHBondContact O-N 3.11Å; F280-L284 PolarHBondContact O-N 3.05Å
281Y44.6Very low55.2Low185 Ų18574.4 Ų74.473%0.72537%0.373SS*.Hα-helixtrans-64.5-38.8173.8-132.6-91.3000109.8D279 R283 C285D279-Y281 PolarHBondContact O-N 3.22Å; D279-Y281 WeakPolarHBondContact OD1-CB 3.39Å; D279-Y281 PolarHBondContact OD1-N 3.02Å; D279-Y281 VanDerWaalsContact OD1-N 3.1Å; Y281-R283 VanDerWaalsContact C-N 3.27Å; Y281-R283 PolarHBondContact O-N 2.93Å; Y281-C285 WeakPolarHBondContact O-CA 3.33Å; Y281-C285 WeakPolarHBondContact O-CB 3.19Å; Y281-C285 PolarHBondContact O-N 3.03Å; Y281-C285 PolarHBondContact O-SG 3.07Å
282T51.8Low54.7Low25 Ų2571.5 Ų71.515%0.15336%0.357CS..Hα-helixtrans-61.6-25.8169.4-78.90000112.9R277 D279 F280 C285 Q286R277-T282 VanDerWaalsContact C-CG2 3.41Å; R277-T282 HydrophobicContact CB-CG2 3.06Å; R277-T282 HydrophobicContact CG-CG2 4.28Å; R277-T282 WeakPolarHBondContact O-CG2 3.17Å; D279-T282 CarbonylContact O-C 3.56Å; D279-T282 WeakPolarHBondContact O-CA 3.34Å; D279-T282 WeakPolarHBondContact O-CB 3.46Å; D279-T282 PolarHBondContact O-N 3.38Å; D279-T282 WeakPolarHBondContact OD1-CB 3.16Å; D279-T282 PolarHBondContact OD1-N 2.93Å; D279-T282 PolarHBondContact OD1-OG1 3.02Å; D279-T282 VanDerWaalsContact OD1-OG1 3.1Å; D279-T282 WeakPolarHBondContact OD2-CB 3.49Å; D279-T282 PolarHBondContact OD2-OG1 2.81Å; F280-T282 PolarHBondContact O-N 2.65Å; T282-C285 CarbonylContact O-C 3.57Å; T282-Q286 HydrophobicContact CG2-CG 4.43Å; T282-Q286 WeakPolarHBondContact O-CA 3.35Å; T282-Q286 VanDerWaalsContact O-CB 3.25Å; T282-Q286 WeakPolarHBondContact O-CB 3.36Å; T282-Q286 WeakPolarHBondContact O-CG 3.43Å; T282-Q286 PolarHBondContact O-N 3.45Å
283R53.9Low54.6Low67 Ų6769.3 Ų69.325%0.25335%0.35SS..Hα-helixtrans-78.3-43.9176.8-64167.8-154.2-131.93112.4I262 S278 D279 F280 Y281 C285 Q286 Y287I262-R283 HydrophobicContact CG2-CB 3.87Å; I262-R283 VanDerWaalsContact CG2-CD 3.42Å; I262-R283 HydrophobicContact CG2-CG 3.59Å; S278-R283 PolarHBondContact O-NH2 3.33Å; D279-R283 WeakPolarHBondContact O-CG 3.09Å; D279-R283 PolarHBondContact O-N 3.36Å; F280-R283 WeakPolarHBondContact O-CB 3.19Å; F280-R283 PolarHBondContact O-N 3.11Å; Y281-R283 VanDerWaalsContact C-N 3.27Å; Y281-R283 PolarHBondContact O-N 2.93Å; R283-C285 VanDerWaalsContact C-N 3.32Å; R283-Q286 WeakPolarHBondContact O-CB 3.2Å; R283-Q286 PolarHBondContact O-N 2.81Å; R283-Q286 VanDerWaalsContact O-N 3.07Å; R283-Y287 PolarHBondContact O-N 2.69Å
284L53.6Low54.7Low65 Ų6560 Ų6034%0.3431%0.306SS..Hα-helixtrans-64.3-43.9168.8-165.580.5000109.9F280 Q286 Y287 M288F280-L284 PolarHBondContact O-N 3.05Å; L284-Q286 PolarHBondContact O-N 3.02Å; L284-Y287 PolarHBondContact O-N 2.84Å; L284-M288 PolarHBondContact O-N 3.3Å
285C49.3Very low55.2Low39 Ų3957.8 Ų57.826%0.26429%0.29SS..Hα-helixtrans-62.5-25.4170.4-72.70000111.8Y281 T282 R283 Y287 M288 V289Y281-C285 WeakPolarHBondContact O-CA 3.33Å; Y281-C285 WeakPolarHBondContact O-CB 3.19Å; Y281-C285 PolarHBondContact O-N 3.03Å; Y281-C285 PolarHBondContact O-SG 3.07Å; T282-C285 CarbonylContact O-C 3.57Å; R283-C285 VanDerWaalsContact C-N 3.32Å; C285-Y287 VanDerWaalsContact C-N 3.35Å; C285-M288 CarbonylContact O-C 3.54Å; C285-M288 PolarHBondContact O-N 2.78Å; C285-V289 HydrophobicContact CB-CG2 4.42Å; C285-V289 VanDerWaalsContact O-CA 3.27Å; C285-V289 WeakPolarHBondContact O-CA 3.42Å; C285-V289 WeakPolarHBondContact O-CB 3.49Å; C285-V289 WeakPolarHBondContact O-CG2 3.43Å; C285-V289 PolarHBondContact O-N 2.75Å
286Q53.5Low56.3Low26 Ų2656.9 Ų56.912%0.12129%0.286CS..Hα-helixtrans-69.8-38.5178.1-93.5160.4-2.100110.4I262 R277 T282 R283 L284 V289 R290I262-Q286 VanDerWaalsContact CD1-OE1 3.23Å; R277-Q286 PolarHBondContact O-NE2 2.85Å; T282-Q286 HydrophobicContact CG2-CG 4.43Å; T282-Q286 WeakPolarHBondContact O-CA 3.35Å; T282-Q286 VanDerWaalsContact O-CB 3.25Å; T282-Q286 WeakPolarHBondContact O-CB 3.36Å; T282-Q286 WeakPolarHBondContact O-CG 3.43Å; T282-Q286 PolarHBondContact O-N 3.45Å; R283-Q286 WeakPolarHBondContact O-CB 3.2Å; R283-Q286 PolarHBondContact O-N 2.81Å; R283-Q286 VanDerWaalsContact O-N 3.07Å; L284-Q286 PolarHBondContact O-N 3.02Å; Q286-V289 PolarHBondContact O-N 2.74Å; Q286-R290 WeakPolarHBondContact O-CB 3.3Å; Q286-R290 VanDerWaalsContact O-CG 3.24Å; Q286-R290 WeakPolarHBondContact O-CG 3.43Å; Q286-R290 PolarHBondContact O-N 2.91Å
287Y59.4Low57.8Low16 Ų1656.3 Ų56.36%0.06328%0.277CS..Hα-helixtrans-66-45.9169.1-170.7-105000111V177 Y255 I258 R283 L284 C285 V289 R290 L291 T394 R395V177-Y287 HydrophobicContact CB-CE2 4.02Å; V177-Y287 HydrophobicContact CG1-CD2 3.62Å; V177-Y287 HydrophobicContact CG1-CE2 3.29Å; V177-Y287 HydrophobicContact CG1-CG 4.44Å; V177-Y287 HydrophobicContact CG2-CE1 4.33Å; V177-Y287 HydrophobicContact CG2-CE2 3.47Å; V177-Y287 VanDerWaalsContact CG2-CE2 3.47Å; V177-Y287 WeakPolarHBondContact CG2-OH 3.38Å; Y255-Y287 AromaticContact CD1-CD1 3.99Å; Y255-Y287 HydrophobicContact CD1-CD1 3.99Å; Y255-Y287 AromaticContact CD1-CE1 3.92Å; Y255-Y287 HydrophobicContact CD1-CE1 3.92Å; Y255-Y287 HydrophobicContact CE1-CD1 4.18Å; Y255-Y287 AromaticContact CE1-CE1 3.76Å; Y255-Y287 HydrophobicContact CE1-CE1 3.76Å; I258-Y287 HydrophobicContact CD1-CD1 4.06Å; I258-Y287 HydrophobicContact CD1-CE1 3.51Å; R283-Y287 PolarHBondContact O-N 2.69Å; L284-Y287 PolarHBondContact O-N 2.84Å; C285-Y287 VanDerWaalsContact C-N 3.35Å; Y287-V289 VanDerWaalsContact C-N 3.32Å; Y287-V289 PolarHBondContact O-N 2.8Å; Y287-R290 VanDerWaalsContact O-CB 3.27Å; Y287-R290 WeakPolarHBondContact O-CB 3.46Å; Y287-R290 PolarHBondContact O-N 3.22Å; Y287-L291 HydrophobicContact CD1-CD1 3.96Å; Y287-L291 HydrophobicContact CE1-CD1 3.55Å; Y287-L291 VanDerWaalsContact O-CG 3.28Å; Y287-L291 WeakPolarHBondContact O-CG 2.85Å; Y287-L291 PolarHBondContact O-N 3.43Å; Y287-T394 VanDerWaalsContact OH-CB 3.28Å; Y287-T394 WeakPolarHBondContact OH-CB 3.38Å; Y287-R395 PolarHBondContact OH-O 2.78Å
288M58.5Low59.4Low31 Ų3156.7 Ų56.715%0.15329%0.285CS..Hα-helixtrans-65.9-31.6174.4-64.7-162.7-66.100113.7F247 Y255 L284 C285 R290 L291 Y292F247-M288 HydrophobicContact CE1-CB 4.31Å; F247-M288 HydrophobicContact CE1-CG 4.4Å; F247-M288 HydrophobicContact CE1-SD 3.93Å; F247-M288 HydrophobicContact CZ-CB 3.89Å; F247-M288 HydrophobicContact CZ-CG 4.44Å; F247-M288 HydrophobicContact CZ-SD 4.2Å; Y255-M288 HydrophobicContact CD1-CG 4.2Å; Y255-M288 HydrophobicContact CD2-CG 4.06Å; Y255-M288 HydrophobicContact CD2-SD 3.88Å; Y255-M288 HydrophobicContact CG-CG 3.82Å; Y255-M288 HydrophobicContact CG-SD 3.94Å; L284-M288 PolarHBondContact O-N 3.3Å; C285-M288 CarbonylContact O-C 3.54Å; C285-M288 PolarHBondContact O-N 2.78Å; M288-R290 VanDerWaalsContact C-N 3.35Å; M288-L291 CarbonylContact O-C 3.47Å; M288-L291 WeakPolarHBondContact O-CA 3.42Å; M288-L291 WeakPolarHBondContact O-CB 3.38Å; M288-L291 PolarHBondContact O-N 3.13Å; M288-Y292 PolarHBondContact O-N 2.96Å
289V51.4Low61.3Low21 Ų2156.3 Ų56.313%0.12727%0.272CS..Hα-helixtrans-67.1-42.2176.5155.90000107.5R189 C285 Q286 Y287 L291 Y292 V293R189-V289 PolarHBondContact NH2-O 3.16Å; C285-V289 HydrophobicContact CB-CG2 4.42Å; C285-V289 VanDerWaalsContact O-CA 3.27Å; C285-V289 WeakPolarHBondContact O-CA 3.42Å; C285-V289 WeakPolarHBondContact O-CB 3.49Å; C285-V289 WeakPolarHBondContact O-CG2 3.43Å; C285-V289 PolarHBondContact O-N 2.75Å; Q286-V289 PolarHBondContact O-N 2.74Å; Y287-V289 VanDerWaalsContact C-N 3.32Å; Y287-V289 PolarHBondContact O-N 2.8Å; V289-L291 PolarHBondContact O-N 3.45Å; V289-Y292 PolarHBondContact O-N 2.9Å; V289-V293 HydrophobicContact CB-CB 4.05Å; V289-V293 HydrophobicContact CB-CG2 4.1Å; V289-V293 HydrophobicContact CG1-CB 3.73Å; V289-V293 HydrophobicContact CG1-CG1 4.12Å; V289-V293 HydrophobicContact CG1-CG2 4.24Å; V289-V293 HydrophobicContact CG2-CB 4.17Å; V289-V293 HydrophobicContact CG2-CG2 3.73Å; V289-V293 WeakPolarHBondContact O-CA 3.35Å; V289-V293 WeakPolarHBondContact O-CB 2.96Å; V289-V293 PolarHBondContact O-N 3.19Å
290R57Low63.2Low100 Ų10055 Ų5538%0.37727%0.269SS..Hα-helixtrans-58.9-8.5168.4-77.7166.4154.7-130.1-22.3113.9R189 Q286 Y287 M288 G397R189-R290 PolarHBondContact NE-O 3.42Å; R189-R290 PolarHBondContact NH1-O 2.96Å; R189-R290 PolarHBondContact NH2-O 3Å; Q286-R290 WeakPolarHBondContact O-CB 3.3Å; Q286-R290 VanDerWaalsContact O-CG 3.24Å; Q286-R290 WeakPolarHBondContact O-CG 3.43Å; Q286-R290 PolarHBondContact O-N 2.91Å; Y287-R290 VanDerWaalsContact O-CB 3.27Å; Y287-R290 WeakPolarHBondContact O-CB 3.46Å; Y287-R290 PolarHBondContact O-N 3.22Å; M288-R290 VanDerWaalsContact C-N 3.35Å; R290-G397 WeakPolarHBondContact O-CA 3.23Å
291L56.8Low65.7Low1 Ų149.8 Ų49.81%0.00525%0.25CC..Hα-helixtrans-118.4-25.7-178.3-55.6171.6000112.3Y255 Y287 M288 V289 V327 R395Y255-L291 HydrophobicContact CD1-CD1 4.33Å; Y255-L291 HydrophobicContact CE1-CD1 3.33Å; Y255-L291 WeakPolarHBondContact OH-CD1 3.23Å; Y287-L291 HydrophobicContact CD1-CD1 3.96Å; Y287-L291 HydrophobicContact CE1-CD1 3.55Å; Y287-L291 VanDerWaalsContact O-CG 3.28Å; Y287-L291 WeakPolarHBondContact O-CG 2.85Å; Y287-L291 PolarHBondContact O-N 3.43Å; M288-L291 CarbonylContact O-C 3.47Å; M288-L291 WeakPolarHBondContact O-CA 3.42Å; M288-L291 WeakPolarHBondContact O-CB 3.38Å; M288-L291 PolarHBondContact O-N 3.13Å; V289-L291 PolarHBondContact O-N 3.45Å; L291-V327 WeakPolarHBondContact O-CG1 3.23Å; L291-R395 HydrophobicContact CB-CB 4.3Å; L291-R395 HydrophobicContact CD1-CB 3.93Å; L291-R395 HydrophobicContact CD2-CB 3.55Å; L291-R395 WeakPolarHBondContact CD2-O 3.41Å; L291-R395 HydrophobicContact CG-CB 4.06Å; L291-R395 PolarHBondContact O-NH2 3.28Å
292Y55.1Low68.2Low10 Ų1045.7 Ų45.74%0.03924%0.237CC..Hα-helixtrans-134.9-10.3-171.6-68.4-95.5000115.7F247 E251 Y255 M288 V289 R395F247-Y292 HydrophobicContact CD1-CD2 4.28Å; F247-Y292 HydrophobicContact CD1-CE1 4.4Å; F247-Y292 HydrophobicContact CD1-CE2 4.04Å; F247-Y292 HydrophobicContact CD2-CD1 4.46Å; F247-Y292 HydrophobicContact CD2-CG 4.39Å; F247-Y292 HydrophobicContact CE1-CD1 4.3Å; F247-Y292 AromaticContact CE1-CD2 3.28Å; F247-Y292 HydrophobicContact CE1-CD2 3.28Å; F247-Y292 HydrophobicContact CE1-CE1 4.27Å; F247-Y292 AromaticContact CE1-CE2 3.28Å; F247-Y292 HydrophobicContact CE1-CE2 3.28Å; F247-Y292 AromaticContact CE1-CG 3.82Å; F247-Y292 HydrophobicContact CE1-CG 3.82Å; F247-Y292 AromaticContact CE1-CZ 3.78Å; F247-Y292 HydrophobicContact CE2-CD1 4.08Å; F247-Y292 AromaticContact CE2-CD2 3.89Å; F247-Y292 HydrophobicContact CE2-CD2 3.89Å; F247-Y292 AromaticContact CE2-CG 3.6Å; F247-Y292 HydrophobicContact CE2-CG 3.6Å; F247-Y292 AromaticContact CZ-CD1 4Å; F247-Y292 HydrophobicContact CZ-CD1 4Å; F247-Y292 AromaticContact CZ-CD2 3.04Å; F247-Y292 HydrophobicContact CZ-CD2 3.04Å; F247-Y292 HydrophobicContact CZ-CE1 4.43Å; F247-Y292 AromaticContact CZ-CE2 3.61Å; F247-Y292 HydrophobicContact CZ-CE2 3.61Å; F247-Y292 AromaticContact CZ-CG 3.26Å; F247-Y292 HydrophobicContact CZ-CG 3.26Å; E251-Y292 PolarHBondContact OE1-OH 3.44Å; Y255-Y292 HydrophobicContact CE2-CE2 4.08Å; M288-Y292 PolarHBondContact O-N 2.96Å; V289-Y292 PolarHBondContact O-N 2.9Å; Y292-R395 WeakPolarHBondContact OH-CD 3.08Å; Y292-R395 PolarHBondContact OH-NH1 2.96Å
293V56.6Low70.4Confident38 Ų3846.7 Ų46.723%0.2325%0.253CS..SBendtrans-104.3126.2173.6175.40000108.7R189 V289 L295R189-V293 PolarHBondContact NH2-O 3.27Å; V289-V293 HydrophobicContact CB-CB 4.05Å; V289-V293 HydrophobicContact CB-CG2 4.1Å; V289-V293 HydrophobicContact CG1-CB 3.73Å; V289-V293 HydrophobicContact CG1-CG1 4.12Å; V289-V293 HydrophobicContact CG1-CG2 4.24Å; V289-V293 HydrophobicContact CG2-CB 4.17Å; V289-V293 HydrophobicContact CG2-CG2 3.73Å; V289-V293 WeakPolarHBondContact O-CA 3.35Å; V289-V293 WeakPolarHBondContact O-CB 2.96Å; V289-V293 PolarHBondContact O-N 3.19Å; V293-L295 PolarHBondContact O-N 3.18Å
294H59.9Low72.4Confident1 Ų144.8 Ų44.81%0.00525%0.251CS..PPolyproline II helixtrans-51.6125.6176.6-5263.6000109.2I235 Y241 V244 Q330I235-H294 HydrophobicContact CD1-CB 3.21Å; I235-H294 HydrophobicContact CG1-CB 4.04Å; Y241-H294 AromaticContact CD1-CE1 3.84Å; Y241-H294 AromaticContact CD1-ND1 3.44Å; Y241-H294 WeakPolarHBondContact CD1-ND1 3.29Å; Y241-H294 HydrophobicContact CE1-CB 4.49Å; Y241-H294 AromaticContact CE1-ND1 3.21Å; Y241-H294 WeakPolarHBondContact CE1-ND1 3.18Å; V244-H294 WeakPolarHBondContact CG2-CE1 3.38Å; H294-Q330 PolarHBondContact CD2-NE2 3.48Å; H294-Q330 VanDerWaalsContact CD2-NE2 3.27Å; H294-Q330 PolarHBondContact CD2-OE1 3.05Å; H294-Q330 PolarHBondContact NE2-NE2 3.09Å; H294-Q330 PolarHBondContact NE2-OE1 3.28Å
295L72.6Confident74.4Confident61 Ų6145.2 Ų45.232%0.31925%0.25SS..PPolyproline II helixtrans-103.3123.9167.6-61.9-178.3000106.5V293 I324 R325V293-L295 PolarHBondContact O-N 3.18Å; L295-I324 WeakPolarHBondContact O-CA 3.2Å; L295-R325 PolarHBondContact O-N 3.16Å
296L84.7Confident76.6Confident20 Ų2048.5 Ų48.511%0.10527%0.274CS..EExtended strand (participates in β ladder)trans-103.5124.6164.5-174.2149.2000107.2L228 V229 I235 I237 L298 F322 S323 I324L228-L296 HydrophobicContact CB-CD1 3.64Å; L228-L296 HydrophobicContact CB-CD2 3.91Å; L228-L296 HydrophobicContact CB-CG 4.44Å; L228-L296 HydrophobicContact CD1-CD1 4.2Å; L228-L296 HydrophobicContact CD1-CD2 4.24Å; L228-L296 HydrophobicContact CD2-CD1 4.16Å; L228-L296 HydrophobicContact CG-CD1 4.22Å; V229-L296 HydrophobicContact CB-CD2 4.38Å; V229-L296 HydrophobicContact CG1-CD2 4.25Å; I235-L296 HydrophobicContact CD1-CB 3.76Å; I235-L296 HydrophobicContact CD1-CD1 4.43Å; I235-L296 HydrophobicContact CG1-CB 3.95Å; I235-L296 HydrophobicContact CG2-CD1 4.49Å; I237-L296 HydrophobicContact CD1-CD1 4.44Å; L296-L298 HydrophobicContact CD2-CD2 3.83Å; L296-L298 HydrophobicContact CD2-CG 4.31Å; L296-F322 HydrophobicContact CD1-CD2 3.93Å; L296-F322 HydrophobicContact CD1-CE2 4Å; L296-F322 HydrophobicContact CD2-CD2 4.33Å; L296-F322 HydrophobicContact CG-CD2 3.97Å; L296-S323 VanDerWaalsContact CA-O 3.29Å; L296-S323 WeakPolarHBondContact CA-O 3.37Å; L296-I324 HydrophobicContact CD1-CD1 4.13Å; L296-I324 HydrophobicContact CD1-CG1 3.95Å; L296-I324 HydrophobicContact CG-CG1 4.29Å
297S88.1Confident78.5Confident59 Ų5954.1 Ų54.141%0.41330%0.3SS..EExtended strand (participates in β ladder)trans-116.6126.3178-64.50000109F322 S323S297-F322 WeakPolarHBondContact O-CA 3.1Å; S297-F322 WeakPolarHBondContact O-CB 3.09Å; S297-S323 PolarHBondContact N-O 2.79Å; S297-S323 VanDerWaalsContact N-O 3.08Å; S297-S323 PolarHBondContact O-N 3.05Å; S297-S323 VanDerWaalsContact O-N 3.08Å
298L90.9Very high80Confident89 Ų8959.7 Ų59.747%0.46634%0.338SS..EExtended strand (participates in β ladder)trans-83.9128.6166.8-57.3-177.9000107.9L225 L228 L296 F322L225-L298 HydrophobicContact CB-CD1 4.14Å; L225-L298 HydrophobicContact CB-CD2 4.04Å; L225-L298 HydrophobicContact CD2-CD2 4.05Å; L225-L298 HydrophobicContact CG-CD2 4.45Å; L228-L298 HydrophobicContact CD1-CD2 4.05Å; L296-L298 HydrophobicContact CD2-CD2 3.83Å; L296-L298 HydrophobicContact CD2-CG 4.31Å; L298-F322 HydrophobicContact CD2-CB 3.81Å
299E91.5Very high81.7Confident91 Ų9161.6 Ų61.643%0.42537%0.366SS..EExtended strand (participates in β ladder)trans-113.5-54-166.4-62.2179.1-162.100112.7Y193 K321 S323Y193-E299 WeakPolarHBondContact CE2-OE1 3.45Å; Y193-E299 WeakPolarHBondContact CE2-OE2 3.42Å; Y193-E299 PolarHBondContact OH-OE2 3.19Å; E299-K321 HydrophobicContact CB-CB 4.46Å; E299-K321 PolarHBondContact N-O 2.94Å; E299-S323 VanDerWaalsContact OE1-CB 3.25Å; E299-S323 WeakPolarHBondContact OE1-CB 3.49Å; E299-S323 PolarHBondContact OE1-OG 3.28Å
300S93.4Very high83.8Confident56 Ų5665.4 Ų65.439%0.39240%0.4SS..EExtended strand (participates in β ladder)trans-157.4165.4-177.762.80000112.8K321S300-K321 PolarHBondContact O-N 3.5Å; S300-K321 WeakPolarHBondContact OG-CD 3.4Å
301V97.4Very high85.7Confident44 Ų4466.3 Ų66.327%0.26741%0.406SS..EExtended strand (participates in β ladder)trans-123.1113.5167.7179.70000108.2M218 L221 A304 V318 I319M218-V301 HydrophobicContact SD-CG1 3.96Å; L221-V301 HydrophobicContact CD2-CB 4.49Å; L221-V301 HydrophobicContact CD2-CG1 3.65Å; L221-V301 HydrophobicContact CD2-CG2 4.07Å; V301-A304 HydrophobicContact CG1-CB 3.91Å; V301-V318 HydrophobicContact CG1-CB 4.09Å; V301-V318 HydrophobicContact CG1-CG1 4.42Å; V301-I319 WeakPolarHBondContact CA-O 3.39Å
302E96.7Very high87.6Confident100 Ų10070.8 Ų70.847%0.46743%0.434SS..EExtended strand (participates in β ladder)trans-89.2148.9173.4171.4-175.516300110.8A304 V318 I319 K321E302-A304 VanDerWaalsContact C-N 3.26Å; E302-A304 PolarHBondContact O-N 3.05Å; E302-V318 CarbonylContact O-C 3.55Å; E302-V318 VanDerWaalsContact O-CA 3.3Å; E302-V318 WeakPolarHBondContact O-CA 3.44Å; E302-I319 HydrophobicContact CB-CB 4.3Å; E302-I319 PolarHBondContact N-O 3.36Å; E302-I319 PolarHBondContact O-N 2.97Å; E302-K321 VanDerWaalsContact CB-NZ 3.3Å; E302-K321 IonicContact OE2-NZ 2.82Å; E302-K321 PolarHBondContact OE2-NZ 2.91Å
303G97.1Very high89.6Confident46 Ų4671.7 Ų71.747%0.47444%0.44SS..SBendtrans87-11.5-179.500000114.1
304A97.1Very high91.6Very high26 Ų2670 Ų7022%0.21543%0.43CS..SBendtrans-87.2171.8170.700000112.1M218 V301 E302 S306 P315 V318M218-A304 HydrophobicContact CE-CB 4.47Å; M218-A304 HydrophobicContact SD-CB 3.89Å; V301-A304 HydrophobicContact CG1-CB 3.91Å; E302-A304 VanDerWaalsContact C-N 3.26Å; E302-A304 PolarHBondContact O-N 3.05Å; A304-S306 PolarHBondContact O-N 3.4Å; A304-P315 HydrophobicContact CB-CG 4.24Å; A304-V318 HydrophobicContact CB-CG1 4.29Å
305F96.5Very high93.4Very high74 Ų7470.5 Ų70.533%0.32543%0.433SS..  trans-77.2112.5172174.3-107.6000110.4E307 K311 V313F305-E307 VanDerWaalsContact CE1-O 3.27Å; F305-E307 WeakPolarHBondContact CE1-O 3.3Å; F305-E307 HydrophobicContact CE2-CB 3.84Å; F305-E307 HydrophobicContact CZ-CB 4.21Å; F305-E307 WeakPolarHBondContact CZ-O 3.36Å; F305-K311 HydrophobicContact CB-CB 4.29Å; F305-K311 HydrophobicContact CB-CD 4.36Å; F305-K311 HydrophobicContact CD1-CB 3.88Å; F305-K311 HydrophobicContact CD2-CB 3.63Å; F305-K311 HydrophobicContact CD2-CD 3.66Å; F305-K311 HydrophobicContact CD2-CG 4.29Å; F305-K311 HydrophobicContact CE1-CB 4.08Å; F305-K311 HydrophobicContact CE2-CB 3.84Å; F305-K311 HydrophobicContact CE2-CD 4.26Å; F305-K311 HydrophobicContact CG-CB 3.64Å; F305-K311 HydrophobicContact CG-CD 4.16Å; F305-K311 HydrophobicContact CZ-CB 4.06Å; F305-V313 HydrophobicContact CB-CG1 4.35Å
306S94.9Very high94.6Very high109 Ų10968.8 Ų68.876%0.76243%0.426SS*.  trans-118.9-0.5-176.961.30000114.4A304A304-S306 PolarHBondContact O-N 3.4Å
307E92.4Very high95.3Very high143 Ų14371.7 Ų71.767%0.66844%0.438SS*.SBendtrans-80.4158.1178.3-67.3178.7-178.100111.6F305F305-E307 VanDerWaalsContact CE1-O 3.27Å; F305-E307 WeakPolarHBondContact CE1-O 3.3Å; F305-E307 HydrophobicContact CE2-CB 3.84Å; F305-E307 HydrophobicContact CZ-CB 4.21Å; F305-E307 WeakPolarHBondContact CZ-O 3.36Å
308P91.4Very high95.8Very high133 Ų13368.9 Ų68.986%0.86442%0.418SS*.SBendtrans-56.6140.7170.9-24.334.4000112.4
309G94.6Very high96.2Very high71 Ų7165.4 Ų65.473%0.73240%0.4SS*.SBendtrans114.9-153.9176.900000112.7
310A95.2Very high96.5Very high102 Ų10261.1 Ų61.184%0.84338%0.38SS*.  trans-135.9133.6-179.800000110.5
311K96.2Very high96.7Very high119 Ų11959.8 Ų59.852%0.51737%0.367SS..  trans-133.1117175.8-168.8-179.5177.4-171.50109.4F305 V313F305-K311 HydrophobicContact CB-CB 4.29Å; F305-K311 HydrophobicContact CB-CD 4.36Å; F305-K311 HydrophobicContact CD1-CB 3.88Å; F305-K311 HydrophobicContact CD2-CB 3.63Å; F305-K311 HydrophobicContact CD2-CD 3.66Å; F305-K311 HydrophobicContact CD2-CG 4.29Å; F305-K311 HydrophobicContact CE1-CB 4.08Å; F305-K311 HydrophobicContact CE2-CB 3.84Å; F305-K311 HydrophobicContact CE2-CD 4.26Å; F305-K311 HydrophobicContact CG-CB 3.64Å; F305-K311 HydrophobicContact CG-CD 4.16Å; F305-K311 HydrophobicContact CZ-CB 4.06Å; K311-V313 VanDerWaalsContact C-N 3.28Å; K311-V313 HydrophobicContact CB-CG1 4.21Å; K311-V313 HydrophobicContact CD-CB 4.36Å; K311-V313 HydrophobicContact CD-CG1 3.83Å; K311-V313 HydrophobicContact CG-CB 4.1Å; K311-V313 HydrophobicContact CG-CG1 3.77Å; K311-V313 PolarHBondContact O-N 2.83Å
312T97.1Very high96.7Very high94 Ų9457.7 Ų57.758%0.57735%0.354SS*.  trans-81.471.3-178.750.80000111.3S207S207-T312 PolarHBondContact N-O 3.03Å; S207-T312 VanDerWaalsContact N-O 3.12Å; S207-T312 WeakPolarHBondContact OG-CA 3.48Å; S207-T312 WeakPolarHBondContact OG-CB 2.83Å; S207-T312 PolarHBondContact OG-O 3.3Å
313V97.9Very high96.6Very high30 Ų3053.2 Ų53.218%0.18233%0.334CS..EExtended strand (participates in β ladder)trans-128.5142.4-172.265.50000111.6D204 L205 F305 K311D204-V313 HydrophobicContact CB-CG2 3.66Å; L205-V313 WeakPolarHBondContact O-CA 3.28Å; F305-V313 HydrophobicContact CB-CG1 4.35Å; K311-V313 VanDerWaalsContact C-N 3.28Å; K311-V313 HydrophobicContact CB-CG1 4.21Å; K311-V313 HydrophobicContact CD-CB 4.36Å; K311-V313 HydrophobicContact CD-CG1 3.83Å; K311-V313 HydrophobicContact CG-CB 4.1Å; K311-V313 HydrophobicContact CG-CG1 3.77Å; K311-V313 PolarHBondContact O-N 2.83Å
314I98.3Very high96.5Very high3 Ų351 Ų512%0.01531%0.311CS..EExtended strand (participates in β ladder)trans-99.1110.8162.1-62.6164.9000106.3L205 V214 E216 C316L205-I314 HydrophobicContact CB-CB 4.17Å; L205-I314 PolarHBondContact N-O 3.39Å; L205-I314 PolarHBondContact O-N 3.3Å; V214-I314 HydrophobicContact CG2-CD1 4.07Å; E216-I314 HydrophobicContact CB-CG2 4.13Å; E216-I314 HydrophobicContact CG-CD1 4.17Å; E216-I314 HydrophobicContact CG-CG1 4.34Å; E216-I314 HydrophobicContact CG-CG2 3.93Å; I314-C316 PolarHBondContact O-N 3.2Å
315P98.4Very high96.2Very high11 Ų1153 Ų537%0.07131%0.313CS..  trans-61.8132.7176.8-24.535.8000111.2D204 M218 A304 V318D204-P315 WeakPolarHBondContact OD1-CA 3.34Å; M218-P315 HydrophobicContact CG-CB 4.46Å; M218-P315 HydrophobicContact CG-CG 3.86Å; A304-P315 HydrophobicContact CB-CG 4.24Å; P315-V318 HydrophobicContact CB-CG1 3.54Å; P315-V318 HydrophobicContact CG-CG1 4.18Å
316C98Very high96Very high24 Ų2449.5 Ų49.516%0.16230%0.298CS..SBendtrans-74.3-30.1-178.771.80000113.7V199 C200 A201 Q203 D204 I314V199-C316 CarbonylContact C-O 3.59Å; V199-C316 WeakPolarHBondContact CA-O 3.44Å; C200-C316 PolarHBondContact N-O 3.45Å; A201-C316 HydrophobicContact CB-CB 3.98Å; A201-C316 PolarHBondContact N-O 3.17Å; A201-C316 WeakPolarHBondContact O-CB 3.01Å; Q203-C316 VanDerWaalsContact O-CB 3.24Å; Q203-C316 WeakPolarHBondContact O-CB 3.43Å; D204-C316 PolarHBondContact OD1-N 2.93Å; I314-C316 PolarHBondContact O-N 3.2Å
317K98.6Very high95.7Very high81 Ų8144.3 Ų44.335%0.35226%0.262SS..EExtended strand (participates in β ladder)trans-141.7132.9-179.4166.9171.3167.6155.50108.8E197 V198 V199E197-K317 HydrophobicContact CG-CD 4.39Å; E197-K317 HydrophobicContact CG-CG 4.36Å; E197-K317 WeakPolarHBondContact OE1-CE 3.47Å; E197-K317 IonicContact OE1-NZ 2.7Å; E197-K317 PolarHBondContact OE1-NZ 2.7Å; E197-K317 VanDerWaalsContact OE2-CE 3.26Å; E197-K317 WeakPolarHBondContact OE2-CE 3.4Å; E197-K317 IonicContact OE2-NZ 2.7Å; E197-K317 PolarHBondContact OE2-NZ 3.17Å; V198-K317 WeakPolarHBondContact O-CA 3.38Å; V199-K317 HydrophobicContact CG2-CB 4.06Å; V199-K317 HydrophobicContact CG2-CD 4.08Å; V199-K317 HydrophobicContact CG2-CG 3.94Å
318V98.6Very high95.5Very high0 Ų037.9 Ų37.90%023%0.232CC..EExtended strand (participates in β ladder)trans-135.2145.4175.1-66.20000110.8E197 V198 A217 M218 L221 V301 E302 A304 P315E197-V318 CarbonylContact C-O 3.55Å; E197-V318 WeakPolarHBondContact CA-O 3.48Å; V198-V318 HydrophobicContact CB-CG2 4.21Å; V198-V318 PolarHBondContact N-O 3.44Å; V198-V318 PolarHBondContact O-N 3.04Å; A217-V318 HydrophobicContact CB-CG2 3.91Å; M218-V318 HydrophobicContact CG-CG1 3.94Å; M218-V318 HydrophobicContact SD-CB 4.22Å; M218-V318 HydrophobicContact SD-CG1 3.67Å; M218-V318 HydrophobicContact SD-CG2 4.32Å; L221-V318 HydrophobicContact CB-CG2 3.87Å; L221-V318 HydrophobicContact CD2-CB 3.84Å; L221-V318 HydrophobicContact CD2-CG2 3.54Å; L221-V318 HydrophobicContact CG-CG2 4.3Å; V301-V318 HydrophobicContact CG1-CB 4.09Å; V301-V318 HydrophobicContact CG1-CG1 4.42Å; E302-V318 CarbonylContact O-C 3.55Å; E302-V318 VanDerWaalsContact O-CA 3.3Å; E302-V318 WeakPolarHBondContact O-CA 3.44Å; A304-V318 HydrophobicContact CB-CG1 4.29Å; P315-V318 HydrophobicContact CB-CG1 3.54Å; P315-V318 HydrophobicContact CG-CG1 4.18Å
319I98.6Very high95.3Very high17 Ų1736.4 Ų36.49%0.08722%0.217CC..EExtended strand (participates in β ladder)trans-124.7107.2178.2-54.1176.8000108.5M195 V196 E197 V301 E302M195-I319 HydrophobicContact CB-CG2 3.79Å; M195-I319 HydrophobicContact CG-CG2 4.27Å; V196-I319 CarbonylContact O-C 3.52Å; V196-I319 VanDerWaalsContact O-CA 3.3Å; V196-I319 WeakPolarHBondContact O-CA 3.45Å; E197-I319 HydrophobicContact CB-CG1 4.06Å; E197-I319 HydrophobicContact CG-CG1 4.09Å; V301-I319 WeakPolarHBondContact CA-O 3.39Å; E302-I319 HydrophobicContact CB-CB 4.3Å; E302-I319 PolarHBondContact N-O 3.36Å; E302-I319 PolarHBondContact O-N 2.97Å
320G98.3Very high95.2Very high0 Ų033.2 Ų33.20%018%0.183CC..EExtended strand (participates in β ladder)trans-80.6134.4171.200000110.8M195 V196M195-G320 WeakPolarHBondContact CA-O 3.44Å; V196-G320 PolarHBondContact N-O 3.12Å; V196-G320 PolarHBondContact O-N 2.9Å
321K97.7Very high95.1Very high29 Ų2933 Ų3313%0.12616%0.164CC..EExtended strand (participates in β ladder)trans-111.6131.1178.3-56.1-165.6179.575.50110.4Y193 F194 M195 E299 S300 E302Y193-K321 HydrophobicContact CE1-CB 4Å; Y193-K321 HydrophobicContact CE1-CD 4.12Å; Y193-K321 HydrophobicContact CE1-CG 4.37Å; Y193-K321 WeakPolarHBondContact OH-CB 3.47Å; Y193-K321 WeakPolarHBondContact OH-CD 3.28Å; F194-K321 WeakPolarHBondContact O-CA 3.43Å; M195-K321 HydrophobicContact CE-CD 4.47Å; E299-K321 HydrophobicContact CB-CB 4.46Å; E299-K321 PolarHBondContact N-O 2.94Å; S300-K321 PolarHBondContact O-N 3.5Å; S300-K321 WeakPolarHBondContact OG-CD 3.4Å; E302-K321 VanDerWaalsContact CB-NZ 3.3Å; E302-K321 IonicContact OE2-NZ 2.82Å; E302-K321 PolarHBondContact OE2-NZ 2.91Å
322F96.7Very high95Very high0 Ų028 Ų280%015%0.145CC..EExtended strand (participates in β ladder)trans-149.3159.4173.775.5-87.8000110.2F194 V196 L225 L228 L296 S297 L298 I324 V339 L343F194-F322 HydrophobicContact CB-CD1 3.86Å; F194-F322 HydrophobicContact CB-CD2 4.37Å; F194-F322 HydrophobicContact CB-CE1 3.4Å; F194-F322 VanDerWaalsContact CB-CE1 3.4Å; F194-F322 HydrophobicContact CB-CE2 3.97Å; F194-F322 HydrophobicContact CB-CG 4.33Å; F194-F322 HydrophobicContact CB-CZ 3.48Å; F194-F322 VanDerWaalsContact CB-CZ 3.48Å; F194-F322 HydrophobicContact CD1-CZ 4.43Å; F194-F322 HydrophobicContact CD2-CD2 4.07Å; F194-F322 HydrophobicContact CD2-CE1 4.43Å; F194-F322 AromaticContact CD2-CE2 3.44Å; F194-F322 HydrophobicContact CD2-CE2 3.44Å; F194-F322 VanDerWaalsContact CD2-CE2 3.44Å; F194-F322 AromaticContact CD2-CZ 3.67Å; F194-F322 HydrophobicContact CD2-CZ 3.67Å; F194-F322 HydrophobicContact CE2-CE2 4.18Å; F194-F322 HydrophobicContact CG-CE1 4.08Å; F194-F322 AromaticContact CG-CE2 3.9Å; F194-F322 HydrophobicContact CG-CE2 3.9Å; F194-F322 AromaticContact CG-CZ 3.61Å; F194-F322 HydrophobicContact CG-CZ 3.61Å; F194-F322 PolarHBondContact N-O 3.1Å; F194-F322 PolarHBondContact O-N 3.13Å; F194-F322 VanDerWaalsContact O-N 3.17Å; V196-F322 HydrophobicContact CG2-CD1 4.01Å; V196-F322 HydrophobicContact CG2-CE1 3.51Å; L225-F322 HydrophobicContact CD2-CD1 4.08Å; L228-F322 HydrophobicContact CD1-CD1 3.79Å; L228-F322 HydrophobicContact CD1-CD2 3.95Å; L228-F322 HydrophobicContact CD1-CE1 3.76Å; L228-F322 HydrophobicContact CD1-CE2 3.93Å; L228-F322 HydrophobicContact CD1-CG 3.87Å; L228-F322 HydrophobicContact CD1-CZ 3.82Å; L228-F322 HydrophobicContact CD2-CE2 4.29Å; L228-F322 HydrophobicContact CD2-CZ 4.1Å; L296-F322 HydrophobicContact CD1-CD2 3.93Å; L296-F322 HydrophobicContact CD1-CE2 4Å; L296-F322 HydrophobicContact CD2-CD2 4.33Å; L296-F322 HydrophobicContact CG-CD2 3.97Å; S297-F322 WeakPolarHBondContact O-CA 3.1Å; S297-F322 WeakPolarHBondContact O-CB 3.09Å; L298-F322 HydrophobicContact CD2-CB 3.81Å; F322-I324 HydrophobicContact CD2-CG1 4.36Å; F322-I324 HydrophobicContact CE2-CD1 4.22Å; F322-I324 HydrophobicContact CE2-CG1 4.08Å; F322-V339 HydrophobicContact CE2-CG1 4.28Å; F322-V339 HydrophobicContact CZ-CG1 3.62Å; F322-L343 HydrophobicContact CE1-CD1 4.02Å; F322-L343 HydrophobicContact CZ-CD1 4.11Å
323S95.1Very high94.9Very high6 Ų626.9 Ų26.94%0.04215%0.145CC..EExtended strand (participates in β ladder)trans-131.1153176.658.20000112C192 L296 S297 E299C192-S323 CarbonylContact O-C 3.46Å; C192-S323 VanDerWaalsContact O-CA 3.28Å; C192-S323 WeakPolarHBondContact O-CA 3.18Å; L296-S323 VanDerWaalsContact CA-O 3.29Å; L296-S323 WeakPolarHBondContact CA-O 3.37Å; S297-S323 PolarHBondContact N-O 2.79Å; S297-S323 VanDerWaalsContact N-O 3.08Å; S297-S323 PolarHBondContact O-N 3.05Å; S297-S323 VanDerWaalsContact O-N 3.08Å; E299-S323 VanDerWaalsContact OE1-CB 3.25Å; E299-S323 WeakPolarHBondContact OE1-CB 3.49Å; E299-S323 PolarHBondContact OE1-OG 3.28Å
324I93.9Very high94.8Very high0 Ų030.1 Ų30.10%016%0.158CC..EExtended strand (participates in β ladder)trans-117.2120.6171.7-55.9-176.7000107.8L191 C192 F194 I235 I237 I240 L295 L296 F322 L326 V335 V339L191-I324 CarbonylContact C-O 3.52Å; L191-I324 WeakPolarHBondContact CA-O 3.36Å; C192-I324 PolarHBondContact N-O 2.82Å; C192-I324 PolarHBondContact O-N 2.77Å; F194-I324 HydrophobicContact CE2-CD1 4.05Å; F194-I324 HydrophobicContact CE2-CG1 4.1Å; I235-I324 HydrophobicContact CD1-CG2 4.06Å; I237-I324 HydrophobicContact CD1-CD1 3.85Å; I240-I324 HydrophobicContact CD1-CD1 4.42Å; L295-I324 WeakPolarHBondContact O-CA 3.2Å; L296-I324 HydrophobicContact CD1-CD1 4.13Å; L296-I324 HydrophobicContact CD1-CG1 3.95Å; L296-I324 HydrophobicContact CG-CG1 4.29Å; F322-I324 HydrophobicContact CD2-CG1 4.36Å; F322-I324 HydrophobicContact CE2-CD1 4.22Å; F322-I324 HydrophobicContact CE2-CG1 4.08Å; I324-L326 HydrophobicContact CG2-CD2 4.09Å; I324-V335 HydrophobicContact CD1-CG1 4.25Å; I324-V339 HydrophobicContact CD1-CG2 3.54Å
325R91.6Very high94.7Very high68 Ų6830.1 Ų30.126%0.25716%0.158SC..EExtended strand (participates in β ladder)trans-79122.9170.5-65.1-73.4-178.5174.91.8109.8R189 G190 L295 S399R189-R325 HydrophobicContact CB-CB 4.36Å; G190-R325 CarbonylContact O-C 3.46Å; G190-R325 WeakPolarHBondContact O-CA 3.28Å; L295-R325 PolarHBondContact O-N 3.16Å; R325-S399 PolarHBondContact NH1-OG 3.1Å
326L92.1Very high94.6Very high0 Ų031.6 Ų31.60%016%0.164CC..EExtended strand (participates in β ladder)trans-89.9151.2-177.5-50.6-173.9000111.3R189 G190 I324 Q330 P332 V335R189-L326 CarbonylContact C-O 3.5Å; R189-L326 VanDerWaalsContact CA-O 3.24Å; R189-L326 WeakPolarHBondContact CA-O 3.28Å; R189-L326 WeakPolarHBondContact CB-O 3.49Å; R189-L326 WeakPolarHBondContact CG-O 3.22Å; G190-L326 PolarHBondContact N-O 3.24Å; G190-L326 PolarHBondContact O-N 2.97Å; I324-L326 HydrophobicContact CG2-CD2 4.09Å; L326-Q330 HydrophobicContact CB-CB 4.34Å; L326-P332 HydrophobicContact CD1-CB 4.27Å; L326-P332 HydrophobicContact CD1-CG 3.78Å; L326-V335 HydrophobicContact CD2-CB 4.17Å; L326-V335 HydrophobicContact CD2-CG1 3.89Å; L326-V335 HydrophobicContact CD2-CG2 3.89Å
327V89.7Confident94.6Very high0 Ų035.4 Ų35.40%018%0.179CC..  trans-127.9155.8174.7-58.80000109R189 V244 L291 D329 Q330R189-V327 HydrophobicContact CG-CG1 4.23Å; V244-V327 HydrophobicContact CG1-CG2 3.86Å; V244-V327 HydrophobicContact CG2-CG2 4.31Å; L291-V327 WeakPolarHBondContact O-CG1 3.23Å; V327-D329 PolarHBondContact O-N 3.11Å; V327-Q330 VanDerWaalsContact O-CB 3.28Å; V327-Q330 WeakPolarHBondContact O-CB 3.06Å; V327-Q330 WeakPolarHBondContact O-CG 3.48Å; V327-Q330 PolarHBondContact O-N 2.91Å; V327-Q330 PolarHBondContact O-OE1 2.86Å
328P86.7Confident94.5Very high8 Ų834.2 Ų34.25%0.05218%0.176CC..THydrogen-bonded Turntrans-51.5134.9172.7-25.635000110.6A245 P366 L368A245-P328 HydrophobicContact CB-CB 4.37Å; A245-P328 VanDerWaalsContact CB-O 3.26Å; A245-P328 WeakPolarHBondContact CB-O 3.19Å; A245-P328 PolarHBondContact N-O 3.1Å; P328-P366 HydrophobicContact CG-CB 4.03Å; P328-P366 HydrophobicContact CG-CG 4.34Å; P328-L368 HydrophobicContact CB-CD1 3.85Å; P328-L368 HydrophobicContact CG-CD1 3.45Å; P328-L368 VanDerWaalsContact CG-CD1 3.45Å; P328-L368 HydrophobicContact CG-CD2 4.44Å; P328-L368 HydrophobicContact CG-CG 3.61Å
329D88.7Confident94.5Very high102 Ų10234.2 Ų34.255%0.54518%0.176SC..THydrogen-bonded Turncis-107.533.96.6-63.5-33.8000112.5Q243 V327 H331Q243-D329 PolarHBondContact O-N 3.33Å; V327-D329 PolarHBondContact O-N 3.11Å; D329-H331 PolarHBondContact O-CE1 2.96Å; D329-H331 PolarHBondContact O-ND1 3.26Å; D329-H331 VanDerWaalsContact O-ND1 3.08Å
330Q91.3Very high94.4Very high4 Ų435 Ų352%0.01918%0.182CC..  trans-68.8139.9-174.6-67.6-178.7-64.200113.7I240 Q243 H294 L326 V327 V335I240-Q330 PolarHBondContact O-NE2 3.07Å; Q243-Q330 HydrophobicContact CB-CG 4.1Å; H294-Q330 PolarHBondContact CD2-NE2 3.48Å; H294-Q330 VanDerWaalsContact CD2-NE2 3.27Å; H294-Q330 PolarHBondContact CD2-OE1 3.05Å; H294-Q330 PolarHBondContact NE2-NE2 3.09Å; H294-Q330 PolarHBondContact NE2-OE1 3.28Å; L326-Q330 HydrophobicContact CB-CB 4.34Å; V327-Q330 VanDerWaalsContact O-CB 3.28Å; V327-Q330 WeakPolarHBondContact O-CB 3.06Å; V327-Q330 WeakPolarHBondContact O-CG 3.48Å; V327-Q330 PolarHBondContact O-N 2.91Å; V327-Q330 PolarHBondContact O-OE1 2.86Å; Q330-V335 HydrophobicContact CB-CG2 4.3Å
331H93.4Very high94.4Very high96 Ų9639.2 Ų39.244%0.44421%0.205SC..  trans-104.3128.1174.6-6381.4000111D329 A333 E334 V335D329-H331 PolarHBondContact O-CE1 2.96Å; D329-H331 PolarHBondContact O-ND1 3.26Å; D329-H331 VanDerWaalsContact O-ND1 3.08Å; H331-A333 VanDerWaalsContact C-N 3.35Å; H331-A333 PolarHBondContact O-N 3.28Å; H331-E334 HydrophobicContact CB-CG 4.32Å; H331-E334 PolarHBondContact O-N 2.87Å; H331-E334 VanDerWaalsContact O-N 3.12Å; H331-V335 PolarHBondContact O-N 3.12Å
332P94.1Very high94.4Very high16 Ų1639.3 Ų39.310%0.10420%0.204CC..Hα-helixtrans-50.2-48-179.2-31.935.5000114.7L326 E334 V335 E336 R365L326-P332 HydrophobicContact CD1-CB 4.27Å; L326-P332 HydrophobicContact CD1-CG 3.78Å; P332-E334 VanDerWaalsContact C-N 3.26Å; P332-E334 PolarHBondContact O-N 3.12Å; P332-V335 PolarHBondContact O-N 3.41Å; P332-V335 VanDerWaalsContact O-N 3.15Å; P332-E336 WeakPolarHBondContact O-CB 3.47Å; P332-E336 VanDerWaalsContact O-CG 3.23Å; P332-E336 WeakPolarHBondContact O-CG 3.29Å; P332-E336 PolarHBondContact O-N 2.99Å; P332-R365 HydrophobicContact CG-CG 3.86Å
333A95.3Very high94.5Very high70 Ų7039.3 Ų39.358%0.57920%0.204SC*.Hα-helixtrans-59.2-35.7-17800000113.2H331 Q337H331-A333 VanDerWaalsContact C-N 3.35Å; H331-A333 PolarHBondContact O-N 3.28Å; A333-Q337 WeakPolarHBondContact O-CB 3.4Å; A333-Q337 PolarHBondContact O-N 2.85Å; A333-Q337 VanDerWaalsContact O-N 3.16Å
334E95.9Very high94.6Very high98 Ų9842.2 Ų42.246%0.45822%0.222SC..Hα-helixtrans-72.8-44.3177.4-65.7-169.9-133.800111.3Q243 H331 P332 E336 Q337 L338Q243-E334 PolarHBondContact NE2-OE1 2.9Å; Q243-E334 PolarHBondContact NE2-OE2 3.45Å; H331-E334 HydrophobicContact CB-CG 4.32Å; H331-E334 PolarHBondContact O-N 2.87Å; H331-E334 VanDerWaalsContact O-N 3.12Å; P332-E334 VanDerWaalsContact C-N 3.26Å; P332-E334 PolarHBondContact O-N 3.12Å; E334-E336 VanDerWaalsContact C-N 3.34Å; E334-E336 PolarHBondContact O-N 2.99Å; E334-Q337 PolarHBondContact O-N 2.61Å; E334-L338 WeakPolarHBondContact O-CG 3.39Å; E334-L338 PolarHBondContact O-N 3.34Å
335V95.8Very high94.8Very high3 Ų349.2 Ų49.22%0.01825%0.252CS..Hα-helixtrans-62.1-42.9177.3173.60000111.2I240 I324 L326 Q330 H331 P332 Q337 L338 V339I240-V335 HydrophobicContact CD1-CB 4.41Å; I240-V335 HydrophobicContact CD1-CG1 3.67Å; I240-V335 HydrophobicContact CD1-CG2 4.16Å; I324-V335 HydrophobicContact CD1-CG1 4.25Å; L326-V335 HydrophobicContact CD2-CB 4.17Å; L326-V335 HydrophobicContact CD2-CG1 3.89Å; L326-V335 HydrophobicContact CD2-CG2 3.89Å; Q330-V335 HydrophobicContact CB-CG2 4.3Å; H331-V335 PolarHBondContact O-N 3.12Å; P332-V335 PolarHBondContact O-N 3.41Å; P332-V335 VanDerWaalsContact O-N 3.15Å; V335-Q337 VanDerWaalsContact C-N 3.33Å; V335-Q337 PolarHBondContact O-N 3.33Å; V335-L338 PolarHBondContact O-N 3.48Å; V335-V339 HydrophobicContact CG1-CG2 4.38Å; V335-V339 VanDerWaalsContact O-CG2 3.25Å; V335-V339 WeakPolarHBondContact O-CG2 3.25Å; V335-V339 PolarHBondContact O-N 3.4Å
336E97Very high95.1Very high41 Ų4147.3 Ų47.319%0.19225%0.246CC..Hα-helixtrans-57.1-46.7174.5-72.4170-167.900111.7F194 P332 E334 L338 V339 V340 P360 S363F194-E336 HydrophobicContact CE1-CB 4.23Å; F194-E336 HydrophobicContact CE1-CG 4.01Å; F194-E336 HydrophobicContact CZ-CB 4.41Å; F194-E336 HydrophobicContact CZ-CG 3.98Å; P332-E336 WeakPolarHBondContact O-CB 3.47Å; P332-E336 VanDerWaalsContact O-CG 3.23Å; P332-E336 WeakPolarHBondContact O-CG 3.29Å; P332-E336 PolarHBondContact O-N 2.99Å; E334-E336 VanDerWaalsContact C-N 3.34Å; E334-E336 PolarHBondContact O-N 2.99Å; E336-L338 PolarHBondContact O-N 2.74Å; E336-V339 PolarHBondContact O-N 3.08Å; E336-V340 WeakPolarHBondContact O-CB 3.25Å; E336-V340 VanDerWaalsContact O-CG2 3.28Å; E336-V340 WeakPolarHBondContact O-CG2 3.49Å; E336-V340 PolarHBondContact O-N 2.62Å; E336-P360 HydrophobicContact CB-CB 4.32Å; E336-P360 HydrophobicContact CB-CG 3.89Å; E336-P360 HydrophobicContact CG-CB 3.8Å; E336-P360 HydrophobicContact CG-CG 3.94Å; E336-S363 VanDerWaalsContact OE1-CB 3.22Å; E336-S363 WeakPolarHBondContact OE1-CB 3.49Å; E336-S363 PolarHBondContact OE1-OG 3.2Å
337Q97.4Very high95.3Very high104 Ų10448.1 Ų48.149%0.48625%0.25SS..Hα-helixtrans-64.5-40.9178.5-172.160.476.400112.4A333 E334 V335 N341A333-Q337 WeakPolarHBondContact O-CB 3.4Å; A333-Q337 PolarHBondContact O-N 2.85Å; A333-Q337 VanDerWaalsContact O-N 3.16Å; E334-Q337 PolarHBondContact O-N 2.61Å; V335-Q337 VanDerWaalsContact C-N 3.33Å; V335-Q337 PolarHBondContact O-N 3.33Å; Q337-N341 VanDerWaalsContact NE2-CG 3.3Å; Q337-N341 PolarHBondContact NE2-ND2 2.88Å; Q337-N341 PolarHBondContact NE2-OD1 3.42Å; Q337-N341 VanDerWaalsContact O-CB 3.28Å; Q337-N341 WeakPolarHBondContact O-CB 3.35Å; Q337-N341 PolarHBondContact O-N 3.16Å; Q337-N341 PolarHBondContact O-ND2 2.69Å
338L97.4Very high95.6Very high56 Ų5652 Ų5229%0.29328%0.278SS..Hα-helixtrans-60.5-46.4175.8-70.7175.5000111.5I237 E334 V335 E336 Y342I237-L338 HydrophobicContact CG2-CB 4.01Å; E334-L338 WeakPolarHBondContact O-CG 3.39Å; E334-L338 PolarHBondContact O-N 3.34Å; V335-L338 PolarHBondContact O-N 3.48Å; E336-L338 PolarHBondContact O-N 2.74Å; L338-Y342 VanDerWaalsContact O-CB 3.3Å; L338-Y342 WeakPolarHBondContact O-CB 3.3Å; L338-Y342 PolarHBondContact O-N 3.14Å
339V97.5Very high96Very high0 Ų055.4 Ų55.40%030%0.301CS..Hα-helixtrans-63-51179.6169.80000111.4F194 I237 F322 I324 V335 E336 N341 Y342 L343F194-V339 HydrophobicContact CD1-CB 4.31Å; F194-V339 HydrophobicContact CD1-CG1 3.66Å; F194-V339 HydrophobicContact CD2-CG1 4.3Å; F194-V339 HydrophobicContact CE1-CB 3.7Å; F194-V339 HydrophobicContact CE1-CG1 3.57Å; F194-V339 HydrophobicContact CE1-CG2 4.11Å; F194-V339 HydrophobicContact CE2-CB 4.37Å; F194-V339 HydrophobicContact CE2-CG1 4.22Å; F194-V339 HydrophobicContact CE2-CG2 3.9Å; F194-V339 HydrophobicContact CG-CG1 4.03Å; F194-V339 HydrophobicContact CZ-CB 3.74Å; F194-V339 HydrophobicContact CZ-CG1 3.87Å; F194-V339 HydrophobicContact CZ-CG2 3.6Å; I237-V339 HydrophobicContact CD1-CG2 3.64Å; F322-V339 HydrophobicContact CE2-CG1 4.28Å; F322-V339 HydrophobicContact CZ-CG1 3.62Å; I324-V339 HydrophobicContact CD1-CG2 3.54Å; V335-V339 HydrophobicContact CG1-CG2 4.38Å; V335-V339 VanDerWaalsContact O-CG2 3.25Å; V335-V339 WeakPolarHBondContact O-CG2 3.25Å; V335-V339 PolarHBondContact O-N 3.4Å; E336-V339 PolarHBondContact O-N 3.08Å; V339-N341 VanDerWaalsContact C-N 3.32Å; V339-N341 PolarHBondContact O-N 3.16Å; V339-Y342 PolarHBondContact O-N 3.45Å; V339-L343 HydrophobicContact CG1-CD1 4.09Å; V339-L343 PolarHBondContact O-N 2.98Å
340V97.9Very high96.2Very high33 Ų3354.9 Ų54.920%0.229%0.292CS..Hα-helixtrans-59-45.5-179.9170.50000110.6E336 T344 V358 P360E336-V340 WeakPolarHBondContact O-CB 3.25Å; E336-V340 VanDerWaalsContact O-CG2 3.28Å; E336-V340 WeakPolarHBondContact O-CG2 3.49Å; E336-V340 PolarHBondContact O-N 2.62Å; V340-T344 VanDerWaalsContact O-CB 3.24Å; V340-T344 WeakPolarHBondContact O-CB 3.28Å; V340-T344 PolarHBondContact O-N 2.91Å; V340-T344 PolarHBondContact O-OG1 3.4Å; V340-V358 HydrophobicContact CG2-CB 4.3Å; V340-V358 HydrophobicContact CG2-CG1 3.9Å; V340-P360 HydrophobicContact CG2-CG 4.24Å
341N97.9Very high96.3Very high90 Ų9059.2 Ų59.248%0.48132%0.323SS..Hα-helixtrans-63.1-44.6178.5-74-18.5000112.2Q337 V339 K345Q337-N341 VanDerWaalsContact NE2-CG 3.3Å; Q337-N341 PolarHBondContact NE2-ND2 2.88Å; Q337-N341 PolarHBondContact NE2-OD1 3.42Å; Q337-N341 VanDerWaalsContact O-CB 3.28Å; Q337-N341 WeakPolarHBondContact O-CB 3.35Å; Q337-N341 PolarHBondContact O-N 3.16Å; Q337-N341 PolarHBondContact O-ND2 2.69Å; V339-N341 VanDerWaalsContact C-N 3.32Å; V339-N341 PolarHBondContact O-N 3.16Å; N341-K345 WeakPolarHBondContact O-CB 3.1Å; N341-K345 PolarHBondContact O-N 3.36Å
342Y98.1Very high96.5Very high31 Ų3155.4 Ų55.412%0.12231%0.307CS..Hα-helixtrans-62.7-53-179.4177.7-110.9000111.7Q227 L228 I237 P238 L338 V339 T344 K345 M346Q227-Y342 HydrophobicContact CB-CE1 4.47Å; Q227-Y342 VanDerWaalsContact O-CE1 3.23Å; Q227-Y342 WeakPolarHBondContact O-CE1 3.25Å; Q227-Y342 PolarHBondContact O-OH 2.92Å; L228-Y342 HydrophobicContact CD2-CD1 4.45Å; L228-Y342 HydrophobicContact CD2-CE1 4.47Å; I237-Y342 HydrophobicContact CB-CD1 4.44Å; I237-Y342 HydrophobicContact CG1-CD1 3.63Å; I237-Y342 HydrophobicContact CG1-CE1 4.07Å; I237-Y342 HydrophobicContact CG1-CG 4.13Å; I237-Y342 HydrophobicContact CG2-CG 4.42Å; P238-Y342 VanDerWaalsContact CD-CD2 3.45Å; P238-Y342 HydrophobicContact CG-CD2 4.32Å; L338-Y342 VanDerWaalsContact O-CB 3.3Å; L338-Y342 WeakPolarHBondContact O-CB 3.3Å; L338-Y342 PolarHBondContact O-N 3.14Å; V339-Y342 PolarHBondContact O-N 3.45Å; Y342-T344 PolarHBondContact O-N 3.5Å; Y342-K345 PolarHBondContact O-N 3.43Å; Y342-M346 HydrophobicContact CD1-CG 4.45Å; Y342-M346 HydrophobicContact CD2-CG 4.33Å; Y342-M346 HydrophobicContact CE1-CG 4.13Å; Y342-M346 HydrophobicContact CE2-CG 3.99Å; Y342-M346 HydrophobicContact CE2-SD 4.12Å; Y342-M346 WeakPolarHBondContact O-CG 3.28Å; Y342-M346 PolarHBondContact O-N 3.35Å
343L98.1Very high96.6Very high0 Ų059.1 Ų59.10%033%0.331CS..Hα-helixtrans-64.5-39.4-178.9-71.7-179000112.5V196 L224 L228 F322 V339 K345 M346 H347 V358V196-L343 HydrophobicContact CG2-CD1 3.74Å; L224-L343 HydrophobicContact CB-CD2 4.17Å; L224-L343 HydrophobicContact CD2-CD2 4.25Å; L228-L343 HydrophobicContact CD2-CD1 4.45Å; L228-L343 HydrophobicContact CD2-CD2 3.84Å; L228-L343 HydrophobicContact CD2-CG 4.28Å; L228-L343 HydrophobicContact CG-CD2 4.32Å; F322-L343 HydrophobicContact CE1-CD1 4.02Å; F322-L343 HydrophobicContact CZ-CD1 4.11Å; V339-L343 HydrophobicContact CG1-CD1 4.09Å; V339-L343 PolarHBondContact O-N 2.98Å; L343-K345 VanDerWaalsContact C-N 3.34Å; L343-K345 PolarHBondContact O-N 2.93Å; L343-M346 PolarHBondContact O-N 3.32Å; L343-H347 WeakPolarHBondContact O-CB 3.35Å; L343-H347 PolarHBondContact O-N 3.09Å; L343-V358 HydrophobicContact CB-CG2 3.87Å; L343-V358 HydrophobicContact CD1-CG1 3.96Å; L343-V358 HydrophobicContact CD1-CG2 4.1Å
344T97.5Very high96.7Very high66 Ų6656.4 Ų56.441%0.40531%0.307SS..Hα-helixtrans-59.7-46.3174.8-58.70000110.8V340 Y342 M346 H347 S348V340-T344 VanDerWaalsContact O-CB 3.24Å; V340-T344 WeakPolarHBondContact O-CB 3.28Å; V340-T344 PolarHBondContact O-N 2.91Å; V340-T344 PolarHBondContact O-OG1 3.4Å; Y342-T344 PolarHBondContact O-N 3.5Å; T344-M346 PolarHBondContact O-N 3.13Å; T344-H347 PolarHBondContact O-N 2.94Å; T344-S348 PolarHBondContact O-N 3.48Å; T344-S348 PolarHBondContact O-OG 2.9Å; T344-S348 VanDerWaalsContact O-OG 3.12Å
345K97.5Very high96.9Very high148 Ų14858.6 Ų58.664%0.64332%0.317SS*.Hα-helixtrans-63.1-41.5177.4-177.5-179.3177.6-177.50112.4N341 Y342 L343 S348 S349N341-K345 WeakPolarHBondContact O-CB 3.1Å; N341-K345 PolarHBondContact O-N 3.36Å; Y342-K345 PolarHBondContact O-N 3.43Å; L343-K345 VanDerWaalsContact C-N 3.34Å; L343-K345 PolarHBondContact O-N 2.93Å; K345-S348 PolarHBondContact O-N 2.88Å; K345-S349 WeakPolarHBondContact O-CB 3.22Å; K345-S349 PolarHBondContact O-N 3.02Å; K345-S349 PolarHBondContact O-OG 2.69Å
346M97Very high97Very high27 Ų2760.4 Ų60.413%0.13333%0.326CS..Hα-helixtrans-62.8-44.2177.8-71.2-52.5-71.200111.5Y223 L224 Q227 Y342 L343 T344 S349 R350Y223-M346 HydrophobicContact CE1-CB 4.43Å; Y223-M346 HydrophobicContact CE1-CE 4.15Å; Y223-M346 WeakPolarHBondContact OH-CE 3.48Å; L224-M346 HydrophobicContact CD2-CB 3.78Å; Q227-M346 HydrophobicContact CB-CE 3.94Å; Q227-M346 HydrophobicContact CG-CE 3.55Å; Y342-M346 HydrophobicContact CD1-CG 4.45Å; Y342-M346 HydrophobicContact CD2-CG 4.33Å; Y342-M346 HydrophobicContact CE1-CG 4.13Å; Y342-M346 HydrophobicContact CE2-CG 3.99Å; Y342-M346 HydrophobicContact CE2-SD 4.12Å; Y342-M346 WeakPolarHBondContact O-CG 3.28Å; Y342-M346 PolarHBondContact O-N 3.35Å; L343-M346 PolarHBondContact O-N 3.32Å; T344-M346 PolarHBondContact O-N 3.13Å; M346-S349 PolarHBondContact O-N 2.86Å; M346-R350 PolarHBondContact O-N 2.79Å; M346-R350 VanDerWaalsContact O-N 3.07Å
347H96.9Very high97Very high18 Ų1865.3 Ų65.38%0.08334%0.343CS..Hα-helixtrans-63.9-45.1176.2-177.4-94.5000112.5L224 L343 T344 S349 R350 N354 L356L224-H347 HydrophobicContact CD1-CB 4.44Å; L224-H347 HydrophobicContact CD2-CB 4.04Å; L343-H347 WeakPolarHBondContact O-CB 3.35Å; L343-H347 PolarHBondContact O-N 3.09Å; T344-H347 PolarHBondContact O-N 2.94Å; H347-S349 VanDerWaalsContact C-N 3.28Å; H347-S349 PolarHBondContact O-N 2.95Å; H347-R350 WeakPolarHBondContact O-CB 3.42Å; H347-R350 PolarHBondContact O-N 2.88Å; H347-N354 PolarHBondContact CE1-O 2.85Å; H347-N354 PolarHBondContact NE2-O 2.87Å; H347-L356 HydrophobicContact CB-CD2 3.43Å; H347-L356 VanDerWaalsContact CB-CD2 3.43Å
348S95.6Very high97Very high82 Ų8261.3 Ų61.357%0.57333%0.326SS*.Hα-helixtrans-58.9-40.2174.7-61.50000112.2T344 K345 R350 S351T344-S348 PolarHBondContact O-N 3.48Å; T344-S348 PolarHBondContact O-OG 2.9Å; T344-S348 VanDerWaalsContact O-OG 3.12Å; K345-S348 PolarHBondContact O-N 2.88Å; S348-R350 VanDerWaalsContact C-N 3.29Å; S348-R350 PolarHBondContact O-N 3.14Å; S348-S351 PolarHBondContact O-N 3.1Å
349S95.6Very high96.9Very high79 Ų7961.2 Ų61.255%0.55232%0.323SS*.Hα-helixtrans-68.2-29.7179.6-55.50000112.5K345 M346 H347 S351K345-S349 WeakPolarHBondContact O-CB 3.22Å; K345-S349 PolarHBondContact O-N 3.02Å; K345-S349 PolarHBondContact O-OG 2.69Å; M346-S349 PolarHBondContact O-N 2.86Å; H347-S349 VanDerWaalsContact C-N 3.28Å; H347-S349 PolarHBondContact O-N 2.95Å; S349-S351 PolarHBondContact O-N 3.43Å
350R93.6Very high96.8Very high91 Ų9163.7 Ų63.734%0.34334%0.34SS..Hα-helixtrans-69.2-16.8175.5-172.3172.1177.988.4-3.3113.3S219 D220 Y223 M346 H347 S348 S352S219-R350 PolarHBondContact O-NH2 2.99Å; D220-R350 WeakPolarHBondContact OD1-CD 3.3Å; D220-R350 IonicContact OD1-CZ 3.58Å; D220-R350 IonicContact OD1-NE 2.77Å; D220-R350 PolarHBondContact OD1-NE 3.08Å; D220-R350 IonicContact OD1-NH2 3.59Å; Y223-R350 VanDerWaalsContact CB-NH1 3.3Å; Y223-R350 VanDerWaalsContact CD1-CD 3.46Å; Y223-R350 HydrophobicContact CD1-CG 4.44Å; Y223-R350 HydrophobicContact CE1-CB 4.08Å; Y223-R350 HydrophobicContact CE1-CG 4.37Å; M346-R350 PolarHBondContact O-N 2.79Å; M346-R350 VanDerWaalsContact O-N 3.07Å; H347-R350 WeakPolarHBondContact O-CB 3.42Å; H347-R350 PolarHBondContact O-N 2.88Å; S348-R350 VanDerWaalsContact C-N 3.29Å; S348-R350 PolarHBondContact O-N 3.14Å; R350-S352 PolarHBondContact O-N 3.01Å
351S93.7Very high96.4Very high95 Ų9567.8 Ų67.866%0.66436%0.356SS*.THydrogen-bonded Turntrans56.333.5-178.4-53.90000113.4S348 S349S348-S351 PolarHBondContact O-N 3.1Å; S349-S351 PolarHBondContact O-N 3.43Å
352S96Very high95.8Very high16 Ų1666.6 Ų66.611%0.11235%0.348CS..  trans-79.1138.9172.7-1760000110.8D220 R350 N354D220-S352 WeakPolarHBondContact OD2-CB 3.45Å; D220-S352 PolarHBondContact OD2-OG 2.96Å; R350-S352 PolarHBondContact O-N 3.01Å; S352-N354 PolarHBondContact O-N 3.41Å; S352-N354 WeakPolarHBondContact OG-CB 3.13Å; S352-N354 PolarHBondContact OG-N 3.45Å; S352-N354 PolarHBondContact OG-ND2 3.05Å
353P97.3Very high95.5Very high93 Ų9368 Ų6860%0.60436%0.362SS*.  trans-77.9-517334.6-36.6000113.4H215H215-P353 HydrophobicContact CB-CG 3.93Å; H215-P353 VanDerWaalsContact CD2-CD 3.49Å; H215-P353 WeakPolarHBondContact CD2-CD 3.29Å; H215-P353 WeakPolarHBondContact ND1-CD 3.25Å
354N98.2Very high95.1Very high14 Ų1468.2 Ų68.28%0.07537%0.365CS..SBendtrans-66.8154-177.7-68-18.6000111.7V198 V199 C200 H215 D220 H347 S352V198-N354 HydrophobicContact CG1-CB 3.94Å; V199-N354 WeakPolarHBondContact O-CA 3.41Å; V199-N354 WeakPolarHBondContact O-CB 3.38Å; C200-N354 VanDerWaalsContact CA-OD1 3.31Å; C200-N354 WeakPolarHBondContact CA-OD1 3.19Å; C200-N354 VanDerWaalsContact CB-CG 3.5Å; C200-N354 WeakPolarHBondContact CB-OD1 3.17Å; H215-N354 PolarHBondContact O-ND2 3.15Å; H215-N354 PolarHBondContact O-OD1 2.9Å; D220-N354 WeakPolarHBondContact OD2-CB 3.37Å; D220-N354 PolarHBondContact OD2-ND2 3.26Å; H347-N354 PolarHBondContact CE1-O 2.85Å; H347-N354 PolarHBondContact NE2-O 2.87Å; S352-N354 PolarHBondContact O-N 3.41Å; S352-N354 WeakPolarHBondContact OG-CB 3.13Å; S352-N354 PolarHBondContact OG-N 3.45Å; S352-N354 PolarHBondContact OG-ND2 3.05Å
355Q98Very high94.9Very high143 Ų14369.9 Ų69.967%0.66836%0.363SS*.EExtended strand (participates in β ladder)trans-85130177.3-58.6177.62000109.2V198 V199V198-Q355 CarbonylContact C-O 3.58Å; V198-Q355 VanDerWaalsContact CA-O 3.3Å; V198-Q355 WeakPolarHBondContact CA-O 3.4Å; V199-Q355 HydrophobicContact CB-CB 4.32Å; V199-Q355 PolarHBondContact N-O 3.47Å; V199-Q355 PolarHBondContact O-N 3.07Å
356L98.3Very high94.7Very high41 Ų4163.7 Ų63.722%0.21534%0.338CS..EExtended strand (participates in β ladder)trans-111.4133.7174.7174.768.6000110V196 E197 V198 L224 H347 V358V196-L356 HydrophobicContact CG1-CD1 3.72Å; E197-L356 WeakPolarHBondContact O-CA 3.45Å; V198-L356 HydrophobicContact CG2-CD1 4.03Å; L224-L356 HydrophobicContact CD1-CD1 3.72Å; L224-L356 HydrophobicContact CD1-CD2 4.3Å; H347-L356 HydrophobicContact CB-CD2 3.43Å; H347-L356 VanDerWaalsContact CB-CD2 3.43Å; L356-V358 HydrophobicContact CD1-CG2 3.99Å; L356-V358 HydrophobicContact CD2-CG2 4Å; L356-V358 HydrophobicContact CG-CG2 4.02Å
357R98.1Very high94.5Very high144 Ų14462.6 Ų62.654%0.54333%0.333SS..EExtended strand (participates in β ladder)trans-133.2114.1166.3-173.1-177.6173.3-163.7-6.6109.8E197 Q359E197-R357 HydrophobicContact CB-CB 4.28Å; E197-R357 PolarHBondContact N-O 3.12Å; E197-R357 PolarHBondContact O-N 2.89Å; R357-Q359 HydrophobicContact CG-CG 3.8Å; R357-Q359 VanDerWaalsContact CZ-NE2 3.28Å; R357-Q359 VanDerWaalsContact NE-NE2 3.14Å
358V97.7Very high94.3Very high21 Ų2165 Ų6513%0.12735%0.346CS..EExtended strand (participates in β ladder)trans-98.3122174.2-174.50000108.4V196 V340 L343 L356V196-V358 HydrophobicContact CG1-CG2 4.49Å; V340-V358 HydrophobicContact CG2-CB 4.3Å; V340-V358 HydrophobicContact CG2-CG1 3.9Å; L343-V358 HydrophobicContact CB-CG2 3.87Å; L343-V358 HydrophobicContact CD1-CG1 3.96Å; L343-V358 HydrophobicContact CD1-CG2 4.1Å; L356-V358 HydrophobicContact CD1-CG2 3.99Å; L356-V358 HydrophobicContact CD2-CG2 4Å; L356-V358 HydrophobicContact CG-CG2 4.02Å
359Q95.3Very high94.3Very high53 Ų5361.5 Ų61.525%0.24832%0.322CS..EExtended strand (participates in β ladder)trans-124.4115-175.9-58.8177.764.800109.6M195 R357M195-Q359 PolarHBondContact N-O 3.29Å; M195-Q359 PolarHBondContact O-N 3.45Å; R357-Q359 HydrophobicContact CG-CG 3.8Å; R357-Q359 VanDerWaalsContact CZ-NE2 3.28Å; R357-Q359 VanDerWaalsContact NE-NE2 3.14Å
360P94.9Very high94.3Very high52 Ų5261.9 Ų61.934%0.33832%0.318SS..EExtended strand (participates in β ladder)trans-55.5139.7155.6-20.933.8000109.6F194 E336 V340F194-P360 HydrophobicContact CD1-CG 4.4Å; F194-P360 HydrophobicContact CE1-CB 4.35Å; F194-P360 HydrophobicContact CE1-CG 4.14Å; E336-P360 HydrophobicContact CB-CB 4.32Å; E336-P360 HydrophobicContact CB-CG 3.89Å; E336-P360 HydrophobicContact CG-CB 3.8Å; E336-P360 HydrophobicContact CG-CG 3.94Å; V340-P360 HydrophobicContact CG2-CG 4.24Å
361H89.5Confident94.3Very high119 Ų11958.4 Ų58.455%0.55131%0.305SS*.EExtended strand (participates in β ladder)trans-111.5-79.9-178.3-174-74.4000111.7Y193 M195Y193-H361 HydrophobicContact CD1-CB 4.14Å; Y193-H361 PolarHBondContact O-N 2.79Å; M195-H361 HydrophobicContact CE-CB 4.43Å; M195-H361 WeakPolarHBondContact CE-CD2 3.33Å
362H85.2Confident94.4Very high66 Ų6659.3 Ų59.331%0.30630%0.298SS..EExtended strand (participates in β ladder)trans-119.9147.7173.663.1-98.2000109.1L191 Y193L191-H362 VanDerWaalsContact CD2-NE2 3.25Å; L191-H362 WeakPolarHBondContact CD2-NE2 3.46Å; Y193-H362 VanDerWaalsContact CB-CE1 3.41Å; Y193-H362 WeakPolarHBondContact CB-CE1 3.45Å; Y193-H362 WeakPolarHBondContact CB-O 3.37Å; Y193-H362 AromaticContact CD2-CE1 3.37Å; Y193-H362 WeakPolarHBondContact CD2-CE1 3.36Å; Y193-H362 AromaticContact CD2-NE2 3.65Å; Y193-H362 AromaticContact CG-CE1 3.39Å; Y193-H362 AromaticContact CG-ND1 3.94Å; Y193-H362 AromaticContact CG-NE2 3.83Å; Y193-H362 PolarHBondContact N-O 3.29Å
363S90.7Very high94.5Very high59 Ų5960.8 Ų60.841%0.41331%0.305SS..EExtended strand (participates in β ladder)trans-144.6152.5175.958.30000112.7L191 E336L191-S363 CarbonylContact O-C 3.54Å; L191-S363 WeakPolarHBondContact O-CA 3.3Å; L191-S363 VanDerWaalsContact O-CB 3.23Å; L191-S363 WeakPolarHBondContact O-CB 3.13Å; E336-S363 VanDerWaalsContact OE1-CB 3.22Å; E336-S363 WeakPolarHBondContact OE1-CB 3.49Å; E336-S363 PolarHBondContact OE1-OG 3.2Å
364G90.7Very high94.5Very high6 Ų662.8 Ų62.86%0.06230%0.304CS..EExtended strand (participates in β ladder)trans-140.7139.9-179.200000109.9G190 L191G190-G364 CarbonylContact C-O 3.55Å; G190-G364 WeakPolarHBondContact CA-O 3.32Å; L191-G364 PolarHBondContact N-O 2.92Å; L191-G364 PolarHBondContact O-N 3.26Å
365R92.8Very high94.5Very high100 Ų10062.1 Ų62.138%0.37730%0.301SS..  trans-74.5149.6176.8-74-177.9-70155.62.1110.5P332 L404 E408P332-R365 HydrophobicContact CG-CG 3.86Å; R365-L404 HydrophobicContact CB-CD2 3.51Å; R365-L404 HydrophobicContact CG-CD2 4.33Å; R365-E408 IonicContact CZ-OE1 3.92Å; R365-E408 VanDerWaalsContact CZ-OE1 3.23Å; R365-E408 IonicContact CZ-OE2 3.31Å; R365-E408 IonicContact NH1-OE1 3.82Å; R365-E408 PolarHBondContact NH1-OE1 2.97Å; R365-E408 IonicContact NH2-OE1 2.69Å; R365-E408 PolarHBondContact NH2-OE1 3.38Å; R365-E408 IonicContact NH2-OE2 3.38Å; R365-E408 PolarHBondContact NH2-OE2 2.96Å
366P92.8Very high94.5Very high18 Ų1855.3 Ų55.312%0.11727%0.269CS..  trans-63154.2167.329.7-34.4000110.4G190 P328G190-P366 VanDerWaalsContact N-CA 3.34Å; P328-P366 HydrophobicContact CG-CB 4.03Å; P328-P366 HydrophobicContact CG-CG 4.34Å
367W94.3Very high94.5Very high4 Ų456.4 Ų56.42%0.01528%0.277CS..EExtended strand (participates in β ladder)trans-125.3137.9178.8168.875.3000110.1Y186 G187 L188 A403 L404 E407 V414 L416Y186-W367 VanDerWaalsContact C-CZ3 3.46Å; G187-W367 CarbonylContact C-O 3.57Å; G187-W367 WeakPolarHBondContact CA-O 3.29Å; L188-W367 HydrophobicContact CB-CB 4.4Å; L188-W367 HydrophobicContact CB-CE3 4.05Å; L188-W367 HydrophobicContact CD1-CE3 3.74Å; L188-W367 HydrophobicContact CD1-CZ3 4.28Å; L188-W367 HydrophobicContact CG-CE3 3.76Å; L188-W367 HydrophobicContact CG-CZ3 4.21Å; L188-W367 PolarHBondContact N-O 2.94Å; L188-W367 PolarHBondContact O-N 3.26Å; W367-A403 HydrophobicContact CB-CB 4.48Å; W367-A403 HydrophobicContact CD2-CB 3.9Å; W367-A403 HydrophobicContact CE3-CB 4.3Å; W367-A403 HydrophobicContact CG-CB 3.97Å; W367-L404 HydrophobicContact CB-CB 4.36Å; W367-E407 PolarHBondContact NE1-OE2 2.77Å; W367-E407 VanDerWaalsContact NE1-OE2 3.15Å; W367-V414 HydrophobicContact CH2-CG1 4.5Å; W367-V414 HydrophobicContact CZ2-CB 3.78Å; W367-V414 HydrophobicContact CZ2-CG1 3.82Å; W367-V414 WeakPolarHBondContact CZ2-O 3.45Å; W367-L416 HydrophobicContact CE3-CD1 4.39Å; W367-L416 HydrophobicContact CH2-CD1 3.56Å; W367-L416 HydrophobicContact CZ2-CD1 4.27Å; W367-L416 HydrophobicContact CZ3-CD1 3.63Å; W367-L416 HydrophobicContact CZ3-CD2 4.34Å; W367-L416 HydrophobicContact CZ3-CG 4.45Å
368L92.9Very high94.5Very high68 Ų6849.7 Ų49.736%0.35625%0.253SS..EExtended strand (participates in β ladder)trans-139.5131.9174-81.1-177.1000108.5Y186 P328 R395Y186-L368 HydrophobicContact CD2-CD2 4.35Å; Y186-L368 HydrophobicContact CE2-CD2 4.36Å; Y186-L368 WeakPolarHBondContact O-CA 3.4Å; P328-L368 HydrophobicContact CB-CD1 3.85Å; P328-L368 HydrophobicContact CG-CD1 3.45Å; P328-L368 VanDerWaalsContact CG-CD1 3.45Å; P328-L368 HydrophobicContact CG-CD2 4.44Å; P328-L368 HydrophobicContact CG-CG 3.61Å; L368-R395 HydrophobicContact CD2-CG 4.44Å
369S94.9Very high94.5Very high10 Ų1048.7 Ų48.77%0.0725%0.246CC..  trans-119.1150.8179.91760000111.5Y186 F371 F376 N413 V414Y186-S369 PolarHBondContact O-N 3.37Å; S369-F371 PolarHBondContact O-N 2.7Å; S369-F371 VanDerWaalsContact O-N 3.11Å; S369-F376 WeakPolarHBondContact OG-CE2 3.49Å; S369-N413 PolarHBondContact OG-ND2 3.34Å; S369-V414 WeakPolarHBondContact CB-O 3.31Å; S369-V414 PolarHBondContact OG-O 3.5Å
370D94.7Very high94.6Very high87 Ų8748.7 Ų48.747%0.46525%0.245SC..  trans-70.9100.7173.7175.918.1000110.6H372 N373 N413D370-H372 PolarHBondContact O-N 2.97Å; D370-H372 VanDerWaalsContact OD1-CB 3.31Å; D370-H372 WeakPolarHBondContact OD1-CB 3.21Å; D370-H372 IonicContact OD1-CD2 2.79Å; D370-H372 PolarHBondContact OD1-CD2 3.18Å; D370-H372 IonicContact OD1-CG 3.68Å; D370-H372 PolarHBondContact OD1-N 3.31Å; D370-N373 VanDerWaalsContact O-CB 3.26Å; D370-N373 WeakPolarHBondContact O-CB 3.35Å; D370-N373 PolarHBondContact O-N 3.46Å; D370-N373 VanDerWaalsContact O-N 3.17Å; D370-N413 PolarHBondContact O-ND2 3.44Å
371F94.3Very high94.8Very high18 Ų1850.4 Ų50.48%0.07925%0.248CC..THydrogen-bonded Turntrans-74.41179.759.6-103.4000114.4Y186 E250 L254 S369 F376 L393Y186-F371 HydrophobicContact CD1-CD1 4.18Å; Y186-F371 AromaticContact CD2-CD1 3.6Å; Y186-F371 HydrophobicContact CD2-CD1 3.6Å; Y186-F371 HydrophobicContact CD2-CE1 4.18Å; Y186-F371 HydrophobicContact CE1-CD1 4.45Å; Y186-F371 AromaticContact CE2-CD1 3.9Å; Y186-F371 HydrophobicContact CE2-CD1 3.9Å; Y186-F371 HydrophobicContact CE2-CE1 4.02Å; Y186-F371 HydrophobicContact CG-CB 4.23Å; Y186-F371 AromaticContact CG-CD1 3.76Å; Y186-F371 HydrophobicContact CG-CD1 3.76Å; Y186-F371 HydrophobicContact CG-CG 4.39Å; E250-F371 HydrophobicContact CG-CZ 4.19Å; L254-F371 HydrophobicContact CD1-CE1 4Å; L254-F371 HydrophobicContact CD1-CE2 4.21Å; L254-F371 HydrophobicContact CD1-CZ 3.77Å; S369-F371 PolarHBondContact O-N 2.7Å; S369-F371 VanDerWaalsContact O-N 3.11Å; F371-F376 HydrophobicContact CB-CD1 3.83Å; F371-F376 HydrophobicContact CB-CE1 4.08Å; F371-F376 HydrophobicContact CB-CG 4.1Å; F371-F376 VanDerWaalsContact O-CB 3.3Å; F371-F376 WeakPolarHBondContact O-CB 3.5Å; F371-L393 HydrophobicContact CB-CD1 3.98Å; F371-L393 HydrophobicContact CB-CD2 4.17Å; F371-L393 HydrophobicContact CD2-CD1 3.48Å; F371-L393 VanDerWaalsContact CD2-CD1 3.48Å; F371-L393 HydrophobicContact CE2-CD1 4.13Å; F371-L393 HydrophobicContact CG-CD1 3.79Å
372H95.6Very high95.2Very high113 Ų11344.7 Ų44.752%0.52322%0.221SC..THydrogen-bonded Turntrans-87.4-8.7169.2-61.6-71000112.7E250 D370E250-H372 IonicContact OE1-CE1 3.07Å; E250-H372 PolarHBondContact OE1-CE1 2.84Å; E250-H372 IonicContact OE1-NE2 2.8Å; E250-H372 PolarHBondContact OE1-NE2 2.87Å; E250-H372 IonicContact OE2-NE2 3.9Å; D370-H372 PolarHBondContact O-N 2.97Å; D370-H372 VanDerWaalsContact OD1-CB 3.31Å; D370-H372 WeakPolarHBondContact OD1-CB 3.21Å; D370-H372 IonicContact OD1-CD2 2.79Å; D370-H372 PolarHBondContact OD1-CD2 3.18Å; D370-H372 IonicContact OD1-CG 3.68Å; D370-H372 PolarHBondContact OD1-N 3.31Å
373N97.5Very high95.8Very high47 Ų4741.6 Ų41.625%0.25121%0.207SC..SBendtrans-61.6151.3179.6-165.2-77.8000112.2D370 N375 F376 V377 N413D370-N373 VanDerWaalsContact O-CB 3.26Å; D370-N373 WeakPolarHBondContact O-CB 3.35Å; D370-N373 PolarHBondContact O-N 3.46Å; D370-N373 VanDerWaalsContact O-N 3.17Å; N373-N375 PolarHBondContact O-N 3.46Å; N373-N375 VanDerWaalsContact O-N 3.09Å; N373-N375 PolarHBondContact OD1-N 3.48Å; N373-F376 HydrophobicContact CB-CD2 4.47Å; N373-F376 PolarHBondContact O-N 2.85Å; N373-V377 PolarHBondContact O-N 3.2Å; N373-V377 VanDerWaalsContact O-N 3.14Å; N373-N413 HydrophobicContact CB-CB 4.08Å; N373-N413 VanDerWaalsContact CB-CG 3.49Å; N373-N413 WeakPolarHBondContact CB-ND2 3.4Å; N373-N413 VanDerWaalsContact CG-CB 3.44Å; N373-N413 VanDerWaalsContact CG-CG 3.43Å
374K97.5Very high96.1Very high135 Ų13543.8 Ų43.859%0.58721%0.209SC*.Hα-helixtrans-52.6-31.9175.7-71.2-170.2174.8-166.60113.3Y168 V377 A378Y168-K374 HydrophobicContact CE1-CB 4.36Å; K374-V377 PolarHBondContact O-N 2.93Å; K374-A378 WeakPolarHBondContact O-CB 3.38Å; K374-A378 PolarHBondContact O-N 3.21Å
375N98.1Very high96.5Very high0 Ų048.1 Ų48.10%024%0.235CC..Hα-helixtrans-56-51.4175.1-161.44.7000111.9Y168 V169 N373 V377 A378 G379 N413 M415 Y448Y168-N375 HydrophobicContact CD1-CB 3.9Å; Y168-N375 HydrophobicContact CE1-CB 4.44Å; V169-N375 PolarHBondContact O-ND2 3.04Å; N373-N375 PolarHBondContact O-N 3.46Å; N373-N375 VanDerWaalsContact O-N 3.09Å; N373-N375 PolarHBondContact OD1-N 3.48Å; N375-V377 PolarHBondContact O-N 3.43Å; N375-A378 PolarHBondContact O-N 2.98Å; N375-G379 PolarHBondContact O-N 3.44Å; N375-N413 WeakPolarHBondContact CB-OD1 3.3Å; N375-N413 PolarHBondContact ND2-O 3.07Å; N375-N413 VanDerWaalsContact ND2-O 3.14Å; N375-N413 PolarHBondContact ND2-OD1 3.29Å; N375-M415 WeakPolarHBondContact ND2-CB 3.26Å; N375-M415 VanDerWaalsContact O-SD 3.39Å; N375-Y448 PolarHBondContact OD1-OH 3.23Å
376F98.2Very high96.7Very high0 Ų044.9 Ų44.90%023%0.226CC..Hα-helixtrans-67.3-35.6176.8-76.8-99.2000112.5I184 S369 F371 N373 G379 K380 L393 N413 V414 M415I184-F376 HydrophobicContact CG2-CD1 3.48Å; I184-F376 VanDerWaalsContact CG2-CD1 3.48Å; I184-F376 HydrophobicContact CG2-CE1 3.59Å; S369-F376 WeakPolarHBondContact OG-CE2 3.49Å; F371-F376 HydrophobicContact CB-CD1 3.83Å; F371-F376 HydrophobicContact CB-CE1 4.08Å; F371-F376 HydrophobicContact CB-CG 4.1Å; F371-F376 VanDerWaalsContact O-CB 3.3Å; F371-F376 WeakPolarHBondContact O-CB 3.5Å; N373-F376 HydrophobicContact CB-CD2 4.47Å; N373-F376 PolarHBondContact O-N 2.85Å; F376-G379 PolarHBondContact O-N 3.11Å; F376-K380 WeakPolarHBondContact O-CB 3.32Å; F376-K380 VanDerWaalsContact O-CG 3.28Å; F376-K380 WeakPolarHBondContact O-CG 3.34Å; F376-K380 PolarHBondContact O-N 3.46Å; F376-L393 HydrophobicContact CD1-CD2 3.96Å; F376-L393 HydrophobicContact CE1-CD2 4.47Å; F376-N413 WeakPolarHBondContact CE2-OD1 3.44Å; F376-V414 WeakPolarHBondContact CE2-O 3.38Å; F376-M415 HydrophobicContact CD1-CG 4.12Å; F376-M415 HydrophobicContact CD1-SD 4.4Å; F376-M415 HydrophobicContact CD2-CB 4.24Å; F376-M415 HydrophobicContact CD2-CG 4.32Å; F376-M415 HydrophobicContact CE1-CB 4.49Å; F376-M415 HydrophobicContact CE1-CG 3.94Å; F376-M415 HydrophobicContact CE2-CB 3.87Å; F376-M415 HydrophobicContact CE2-CG 4.15Å; F376-M415 HydrophobicContact CG-CG 4.3Å; F376-M415 HydrophobicContact CG-SD 4.33Å; F376-M415 HydrophobicContact CZ-CB 4.01Å; F376-M415 HydrophobicContact CZ-CG 3.96Å
377V98Very high96.9Very high65 Ų6545.5 Ų45.539%0.39423%0.226SC..Hα-helixtrans-62.1-44.8174.7177.70000110.7N373 K374 N375 K380 K381N373-V377 PolarHBondContact O-N 3.2Å; N373-V377 VanDerWaalsContact O-N 3.14Å; K374-V377 PolarHBondContact O-N 2.93Å; N375-V377 PolarHBondContact O-N 3.43Å; V377-K380 PolarHBondContact O-N 3.03Å; V377-K381 WeakPolarHBondContact O-CG 3.13Å; V377-K381 PolarHBondContact O-N 2.93Å; V377-K381 VanDerWaalsContact O-N 3.08Å
378A98.4Very high97.1Very high3 Ų348.5 Ų48.53%0.02526%0.258CS..Hα-helixtrans-62.8-45.1176.200000111.6K374 N375 K380 K381 A382 Y448 E451 I452K374-A378 WeakPolarHBondContact O-CB 3.38Å; K374-A378 PolarHBondContact O-N 3.21Å; N375-A378 PolarHBondContact O-N 2.98Å; A378-K380 PolarHBondContact O-N 3.17Å; A378-K381 PolarHBondContact O-N 2.84Å; A378-A382 WeakPolarHBondContact O-CB 3.32Å; A378-A382 PolarHBondContact O-N 2.94Å; A378-Y448 HydrophobicContact CB-CD2 4.15Å; A378-Y448 HydrophobicContact CB-CE2 4.18Å; A378-E451 HydrophobicContact CB-CB 3.82Å; A378-I452 HydrophobicContact CB-CB 3.92Å; A378-I452 HydrophobicContact CB-CD1 3.78Å; A378-I452 HydrophobicContact CB-CG1 4.42Å
379G98.4Very high97.1Very high0 Ų047.4 Ų47.40%026%0.256CS..Hα-helixtrans-57.3-45.6174.300000113N375 F376 A382 M383N375-G379 PolarHBondContact O-N 3.44Å; F376-G379 PolarHBondContact O-N 3.11Å; G379-A382 PolarHBondContact O-N 3.21Å; G379-M383 WeakPolarHBondContact O-CB 3.41Å; G379-M383 WeakPolarHBondContact O-CG 3.49Å; G379-M383 PolarHBondContact O-N 3.34Å
380K97.9Very high97.1Very high52 Ų5251.3 Ų51.323%0.22627%0.273CS..Hα-helixtrans-59.9-48.5178.1-75.4173.4-179.5170.40111.7I184 F376 V377 A378 M383 K384 P391I184-K380 HydrophobicContact CD1-CB 4.34Å; I184-K380 HydrophobicContact CD1-CG 3.75Å; I184-K380 VanDerWaalsContact CD1-N 3.27Å; F376-K380 WeakPolarHBondContact O-CB 3.32Å; F376-K380 VanDerWaalsContact O-CG 3.28Å; F376-K380 WeakPolarHBondContact O-CG 3.34Å; F376-K380 PolarHBondContact O-N 3.46Å; V377-K380 PolarHBondContact O-N 3.03Å; A378-K380 PolarHBondContact O-N 3.17Å; K380-M383 PolarHBondContact O-N 2.71Å; K380-K384 WeakPolarHBondContact O-CB 3.34Å; K380-K384 PolarHBondContact O-N 3.45Å; K380-P391 HydrophobicContact CB-CG 4.32Å; K380-P391 HydrophobicContact CG-CG 3.98Å
381K98.3Very high97.1Very high88 Ų8847.7 Ų47.738%0.38325%0.254SS..Hα-helixtrans-62.7-43.7177.8-69.5-178.4-179.3179.90111.8V377 A378 M383 K384 T385 E451 E454V377-K381 WeakPolarHBondContact O-CG 3.13Å; V377-K381 PolarHBondContact O-N 2.93Å; V377-K381 VanDerWaalsContact O-N 3.08Å; A378-K381 PolarHBondContact O-N 2.84Å; K381-M383 PolarHBondContact O-N 2.83Å; K381-K384 WeakPolarHBondContact O-CB 3.46Å; K381-K384 PolarHBondContact O-N 3.08Å; K381-T385 PolarHBondContact O-N 3.06Å; K381-T385 PolarHBondContact O-OG1 2.87Å; K381-T385 VanDerWaalsContact O-OG1 3.12Å; K381-E451 HydrophobicContact CB-CG 3.98Å; K381-E451 WeakPolarHBondContact CD-OE2 3.21Å; K381-E451 IonicContact NZ-OE2 3.1Å; K381-E451 PolarHBondContact NZ-OE2 3.3Å; K381-E454 IonicContact NZ-OE2 3.37Å
382A98.5Very high97Very high0 Ų047.6 Ų47.60%025%0.254CS..Hα-helixtrans-62.1-43.9178.200000112A378 G379 T385 V386 L444 A447 E451A378-A382 WeakPolarHBondContact O-CB 3.32Å; A378-A382 PolarHBondContact O-N 2.94Å; G379-A382 PolarHBondContact O-N 3.21Å; A382-T385 PolarHBondContact O-N 3.47Å; A382-V386 PolarHBondContact O-N 3.29Å; A382-V386 VanDerWaalsContact O-N 3.08Å; A382-L444 HydrophobicContact CB-CD1 3.78Å; A382-A447 HydrophobicContact CB-CB 4.01Å; A382-E451 HydrophobicContact CB-CG 4.22Å
383M97.4Very high96.8Very high0 Ų042.9 Ų42.90%023%0.233CC..Hα-helixtrans-62.2-43.4173.9-76.8-172.816500111.9P182 C183 I184 G379 K380 K381 T385 V386 Y387 P391 L417 L444P182-M383 HydrophobicContact CB-CE 4.27Å; P182-M383 HydrophobicContact CB-SD 3.87Å; P182-M383 HydrophobicContact CG-SD 4.47Å; C183-M383 WeakPolarHBondContact O-CE 3.23Å; I184-M383 HydrophobicContact CD1-SD 3.91Å; I184-M383 HydrophobicContact CG1-CE 3.94Å; I184-M383 HydrophobicContact CG1-SD 3.38Å; I184-M383 WeakPolarHBondContact CG1-SD 3.24Å; G379-M383 WeakPolarHBondContact O-CB 3.41Å; G379-M383 WeakPolarHBondContact O-CG 3.49Å; G379-M383 PolarHBondContact O-N 3.34Å; K380-M383 PolarHBondContact O-N 2.71Å; K381-M383 PolarHBondContact O-N 2.83Å; M383-T385 VanDerWaalsContact C-N 3.33Å; M383-T385 PolarHBondContact O-N 2.68Å; M383-V386 PolarHBondContact O-N 2.64Å; M383-Y387 WeakPolarHBondContact O-CB 3.38Å; M383-Y387 PolarHBondContact O-N 3.17Å; M383-P391 HydrophobicContact CB-CB 4.18Å; M383-P391 HydrophobicContact CB-CG 3.92Å; M383-P391 HydrophobicContact CG-CB 4.43Å; M383-P391 HydrophobicContact CG-CG 4.38Å; M383-P391 HydrophobicContact SD-CB 3.35Å; M383-P391 WeakPolarHBondContact SD-CB 3.21Å; M383-P391 HydrophobicContact SD-CG 3.68Å; M383-L417 HydrophobicContact CE-CD1 3.36Å; M383-L417 HydrophobicContact CE-CG 3.97Å; M383-L417 HydrophobicContact CG-CD1 4.35Å; M383-L417 HydrophobicContact SD-CD1 4.16Å; M383-L444 HydrophobicContact CB-CD1 4.26Å; M383-L444 HydrophobicContact CE-CD2 3.68Å; M383-L444 HydrophobicContact CG-CD1 3.48Å; M383-L444 VanDerWaalsContact CG-CD1 3.48Å; M383-L444 HydrophobicContact CG-CD2 3.97Å; M383-L444 HydrophobicContact CG-CG 4.39Å
384K97.9Very high96.5Very high105 Ų10540.7 Ų40.746%0.45722%0.221SC..Hα-helixtrans-60-42.1174.8-169.7-172.7-1621550112.4K380 K381 V386 G388 C389 E390K380-K384 WeakPolarHBondContact O-CB 3.34Å; K380-K384 PolarHBondContact O-N 3.45Å; K381-K384 WeakPolarHBondContact O-CB 3.46Å; K381-K384 PolarHBondContact O-N 3.08Å; K384-V386 VanDerWaalsContact C-N 3.34Å; K384-V386 PolarHBondContact O-N 2.55Å; K384-G388 WeakPolarHBondContact O-CA 3.31Å; K384-G388 PolarHBondContact O-N 3.17Å; K384-C389 VanDerWaalsContact CA-O 3.3Å; K384-C389 WeakPolarHBondContact CA-O 3.14Å; K384-E390 VanDerWaalsContact CD-OE1 3.23Å; K384-E390 WeakPolarHBondContact CD-OE1 3.34Å; K384-E390 VanDerWaalsContact CE-OE1 3.27Å; K384-E390 WeakPolarHBondContact CE-OE1 3.43Å; K384-E390 IonicContact NZ-OE1 3.81Å; K384-E390 PolarHBondContact NZ-OE1 3.25Å
385T98Very high96.1Very high98 Ų9834.3 Ų34.360%0.60119%0.193SC*.Hα-helixtrans-62.3-39.9178.1-68.50000112.1K381 A382 M383K381-T385 PolarHBondContact O-N 3.06Å; K381-T385 PolarHBondContact O-OG1 2.87Å; K381-T385 VanDerWaalsContact O-OG1 3.12Å; A382-T385 PolarHBondContact O-N 3.47Å; M383-T385 VanDerWaalsContact C-N 3.33Å; M383-T385 PolarHBondContact O-N 2.68Å
386V98Very high95.6Very high32 Ų3236 Ų3619%0.19420%0.201CC..Hα-helixtrans-89.5-40.2-174.6175.30000113.4A382 M383 K384 L440 K443 L444 A447A382-V386 PolarHBondContact O-N 3.29Å; A382-V386 VanDerWaalsContact O-N 3.08Å; M383-V386 PolarHBondContact O-N 2.64Å; K384-V386 VanDerWaalsContact C-N 3.34Å; K384-V386 PolarHBondContact O-N 2.55Å; V386-L440 HydrophobicContact CG1-CB 3.99Å; V386-L440 HydrophobicContact CG1-CD2 4.21Å; V386-K443 HydrophobicContact CG1-CB 4.1Å; V386-K443 HydrophobicContact CG2-CB 4.08Å; V386-L444 HydrophobicContact CG1-CB 4.46Å; V386-L444 HydrophobicContact CG2-CB 4.37Å; V386-A447 HydrophobicContact CG2-CB 4.06Å
387Y96.9Very high95Very high31 Ų3137 Ų3712%0.12221%0.211CC..Hα-helixtrans-101.9-12.9-175.1-66.1-84.2000113.7W176 P182 M383 C389 L440 L444W176-Y387 AromaticContact CH2-CD1 3.94Å; W176-Y387 HydrophobicContact CH2-CD1 3.94Å; W176-Y387 AromaticContact CH2-CE1 3.42Å; W176-Y387 HydrophobicContact CH2-CE1 3.42Å; W176-Y387 VanDerWaalsContact CH2-CE1 3.42Å; W176-Y387 AromaticContact CH2-CZ 3.9Å; W176-Y387 HydrophobicContact CZ2-CD1 4.35Å; W176-Y387 AromaticContact CZ2-CE1 3.66Å; W176-Y387 HydrophobicContact CZ2-CE1 3.66Å; W176-Y387 HydrophobicContact CZ2-CE2 4.28Å; W176-Y387 AromaticContact CZ2-CZ 3.6Å; P182-Y387 HydrophobicContact CB-CD2 4.31Å; P182-Y387 HydrophobicContact CB-CG 4.48Å; P182-Y387 HydrophobicContact CG-CD2 4.2Å; P182-Y387 HydrophobicContact CG-CG 4.07Å; M383-Y387 WeakPolarHBondContact O-CB 3.38Å; M383-Y387 PolarHBondContact O-N 3.17Å; Y387-C389 VanDerWaalsContact C-N 3.29Å; Y387-C389 PolarHBondContact O-N 3.18Å; Y387-L440 HydrophobicContact CD1-CD1 4.03Å; Y387-L440 HydrophobicContact CE1-CB 3.84Å; Y387-L440 HydrophobicContact CE1-CD1 3.64Å; Y387-L440 HydrophobicContact CE1-CG 4.41Å; Y387-L444 HydrophobicContact CE2-CB 4.28Å; Y387-L444 HydrophobicContact CE2-CD2 4.02Å
388G96.8Very high94.5Very high66 Ų6635 Ų3568%0.6820%0.204SC*.SBendtrans79.15.7177.700000115K384K384-G388 WeakPolarHBondContact O-CA 3.31Å; K384-G388 PolarHBondContact O-N 3.17Å
389C94.5Very high94.2Very high46 Ų4635.8 Ų35.831%0.31121%0.209SC..SBendtrans-136.7155.7179.261.90000111.9K384 Y387K384-C389 VanDerWaalsContact CA-O 3.3Å; K384-C389 WeakPolarHBondContact CA-O 3.14Å; Y387-C389 VanDerWaalsContact C-N 3.29Å; Y387-C389 PolarHBondContact O-N 3.18Å
390E93.7Very high93.9Very high91 Ų9136.3 Ų36.343%0.42521%0.212SC..PPolyproline II helixtrans-69.5131.9170.1-65.8-69.215800109.3K181 K384K181-E390 WeakPolarHBondContact CE-O 3.47Å; K384-E390 VanDerWaalsContact CD-OE1 3.23Å; K384-E390 WeakPolarHBondContact CD-OE1 3.34Å; K384-E390 VanDerWaalsContact CE-OE1 3.27Å; K384-E390 WeakPolarHBondContact CE-OE1 3.43Å; K384-E390 IonicContact NZ-OE1 3.81Å; K384-E390 PolarHBondContact NZ-OE1 3.25Å
391P95.3Very high93.4Very high12 Ų1235.9 Ų35.98%0.07822%0.215CC..PPolyproline II helixtrans-74.4156.9178.332.4-35.8000111.8P182 I184 K380 M383P182-P391 HydrophobicContact CB-CB 4.38Å; P182-P391 HydrophobicContact CG-CB 4.18Å; P182-P391 CarbonylContact O-C 3.4Å; P182-P391 WeakPolarHBondContact O-CA 3.34Å; P182-P391 VanDerWaalsContact O-CB 3.3Å; P182-P391 WeakPolarHBondContact O-CB 3.33Å; I184-P391 HydrophobicContact CD1-CB 4.49Å; I184-P391 HydrophobicContact CD1-CG 3.72Å; I184-P391 HydrophobicContact CG1-CB 4.15Å; I184-P391 HydrophobicContact CG1-CG 3.92Å; K380-P391 HydrophobicContact CB-CG 4.32Å; K380-P391 HydrophobicContact CG-CG 3.98Å; M383-P391 HydrophobicContact CB-CB 4.18Å; M383-P391 HydrophobicContact CB-CG 3.92Å; M383-P391 HydrophobicContact CG-CB 4.43Å; M383-P391 HydrophobicContact CG-CG 4.38Å; M383-P391 HydrophobicContact SD-CB 3.35Å; M383-P391 WeakPolarHBondContact SD-CB 3.21Å; M383-P391 HydrophobicContact SD-CG 3.68Å
392D92.3Very high93.2Very high15 Ų1531.7 Ų31.78%0.0820%0.197CC..EExtended strand (participates in β ladder)trans-75.9140.3168.1-77.1-27.5000111K181 P182 C183 I184 I258 D259 T394K181-D392 WeakPolarHBondContact CD-OD2 3.41Å; K181-D392 WeakPolarHBondContact CE-OD1 3.37Å; K181-D392 VanDerWaalsContact NZ-CG 3.3Å; K181-D392 IonicContact NZ-OD1 3.55Å; K181-D392 PolarHBondContact NZ-OD1 2.95Å; K181-D392 IonicContact NZ-OD2 3.3Å; K181-D392 PolarHBondContact NZ-OD2 2.87Å; P182-D392 PolarHBondContact O-N 3.25Å; C183-D392 CarbonylContact C-O 3.54Å; C183-D392 VanDerWaalsContact CA-O 3.26Å; C183-D392 WeakPolarHBondContact CA-O 3.47Å; I184-D392 PolarHBondContact N-O 2.79Å; I258-D392 WeakPolarHBondContact CA-OD2 3.27Å; I258-D392 HydrophobicContact CG1-CB 4.4Å; D259-D392 PolarHBondContact N-OD2 3.35Å; D392-T394 HydrophobicContact CB-CG2 4.04Å
393L92.3Very high93.1Very high14 Ų1431.7 Ų31.77%0.07320%0.197CC..EExtended strand (participates in β ladder)trans-85.7120167.1-76.6179.2000109.2I184 Y186 L254 F371 F376I184-L393 HydrophobicContact CB-CD2 4.15Å; I184-L393 HydrophobicContact CG2-CD2 4.49Å; I184-L393 WeakPolarHBondContact O-CA 2.99Å; Y186-L393 HydrophobicContact CD1-CB 4.04Å; Y186-L393 HydrophobicContact CE1-CB 4.04Å; L254-L393 HydrophobicContact CD1-CB 4.29Å; L254-L393 HydrophobicContact CD1-CD1 4.35Å; L254-L393 HydrophobicContact CD2-CB 4.36Å; L254-L393 HydrophobicContact CD2-CD1 4.12Å; F371-L393 HydrophobicContact CB-CD1 3.98Å; F371-L393 HydrophobicContact CB-CD2 4.17Å; F371-L393 HydrophobicContact CD2-CD1 3.48Å; F371-L393 VanDerWaalsContact CD2-CD1 3.48Å; F371-L393 HydrophobicContact CE2-CD1 4.13Å; F371-L393 HydrophobicContact CG-CD1 3.79Å; F376-L393 HydrophobicContact CD1-CD2 3.96Å; F376-L393 HydrophobicContact CE1-CD2 4.47Å
394T89.8Confident93Very high1 Ų132.9 Ų32.91%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-125.1155.7-170.961.50000111.6V177 C183 I184 T185 Y186 I258 Y287 D392V177-T394 HydrophobicContact CG2-CG2 3.55Å; C183-T394 HydrophobicContact CB-CG2 3.74Å; I184-T394 PolarHBondContact O-N 2.57Å; I184-T394 PolarHBondContact O-OG1 3.13Å; T185-T394 CarbonylContact C-O 3.41Å; T185-T394 VanDerWaalsContact CA-O 3.22Å; T185-T394 WeakPolarHBondContact CA-O 3.22Å; T185-T394 PolarHBondContact OG1-OG1 3.43Å; Y186-T394 WeakPolarHBondContact CD1-O 3.19Å; Y186-T394 WeakPolarHBondContact CE1-O 3.24Å; Y186-T394 PolarHBondContact N-O 3.29Å; I258-T394 HydrophobicContact CD1-CG2 4.36Å; Y287-T394 VanDerWaalsContact OH-CB 3.28Å; Y287-T394 WeakPolarHBondContact OH-CB 3.38Å; D392-T394 HydrophobicContact CB-CG2 4.04Å
395R90.1Very high92.9Very high2 Ų228 Ų281%0.00818%0.182CC..EExtended strand (participates in β ladder)trans-105.1170.3155.2-62.3176.151.8176.7-8.1107.2Y186 G187 Y255 Y287 L291 Y292 L368Y186-R395 HydrophobicContact CD1-CG 4.41Å; Y186-R395 HydrophobicContact CD2-CG 4.05Å; Y186-R395 HydrophobicContact CE1-CG 3.98Å; Y186-R395 HydrophobicContact CE2-CG 3.58Å; Y186-R395 HydrophobicContact CG-CG 4.44Å; G187-R395 CarbonylContact O-C 3.58Å; G187-R395 VanDerWaalsContact O-CA 3.23Å; G187-R395 WeakPolarHBondContact O-CA 3.3Å; G187-R395 WeakPolarHBondContact O-CB 3.2Å; Y255-R395 WeakPolarHBondContact OH-CD 3.49Å; Y255-R395 WeakPolarHBondContact OH-CG 3.37Å; Y287-R395 PolarHBondContact OH-O 2.78Å; L291-R395 HydrophobicContact CB-CB 4.3Å; L291-R395 HydrophobicContact CD1-CB 3.93Å; L291-R395 HydrophobicContact CD2-CB 3.55Å; L291-R395 WeakPolarHBondContact CD2-O 3.41Å; L291-R395 HydrophobicContact CG-CB 4.06Å; L291-R395 PolarHBondContact O-NH2 3.28Å; Y292-R395 WeakPolarHBondContact OH-CD 3.08Å; Y292-R395 PolarHBondContact OH-NH1 2.96Å; L368-R395 HydrophobicContact CD2-CG 4.44Å
396E87.9Confident92.9Very high34 Ų3423.4 Ų23.416%0.15915%0.154CC..EExtended strand (participates in β ladder)trans-131.7149.1179.3-172.3165.9-179.100112.7N174 Y175 T185 G187 L188 R189 G398N174-E396 WeakPolarHBondContact CB-OE2 3.36Å; N174-E396 PolarHBondContact ND2-OE2 3.32Å; Y175-E396 VanDerWaalsContact CD2-OE1 3.31Å; Y175-E396 WeakPolarHBondContact CD2-OE1 3.46Å; T185-E396 HydrophobicContact CG2-CB 3.99Å; G187-E396 PolarHBondContact O-N 3.42Å; L188-E396 HydrophobicContact CD2-CB 4.04Å; R189-E396 PolarHBondContact N-O 3.47Å; E396-G398 VanDerWaalsContact C-N 3.34Å
397G85.8Confident92.8Very high21 Ų2124 Ų2422%0.21615%0.154CC..SBendtrans-80.9-13.5-177.200000114.4R290R290-G397 WeakPolarHBondContact O-CA 3.23Å
398G86.9Confident92.8Very high24 Ų2425.3 Ų25.325%0.24716%0.162CC..SBendtrans-75.5-177.8171.900000112.6R189 E396R189-G398 PolarHBondContact N-O 3.08Å; E396-G398 VanDerWaalsContact C-N 3.34Å
399S90.7Very high92.8Very high19 Ų1922.4 Ų22.413%0.13313%0.131CC..  trans-139.6129-178-61.70000108.7R189 G190 R325R189-S399 WeakPolarHBondContact O-CA 3.1Å; R189-S399 VanDerWaalsContact O-CB 3.22Å; R189-S399 WeakPolarHBondContact O-CB 2.98Å; R189-S399 PolarHBondContact O-OG 3.45Å; G190-S399 PolarHBondContact O-OG 3.04Å; R325-S399 PolarHBondContact NH1-OG 3.1Å
400I92.3Very high93Very high11 Ų1121 Ų216%0.05612%0.121CC..  trans-126.884.5170.1-51.5178.5000104.9Y75 I171 D173 L188 V402 A403 L416Y75-I400 HydrophobicContact CE1-CG2 4.06Å; I171-I400 HydrophobicContact CG2-CD1 4.34Å; D173-I400 HydrophobicContact CB-CD1 3.94Å; D173-I400 VanDerWaalsContact O-CD1 3.3Å; D173-I400 WeakPolarHBondContact O-CD1 3.2Å; L188-I400 HydrophobicContact CD1-CB 3.62Å; L188-I400 HydrophobicContact CD1-CD1 4.2Å; L188-I400 HydrophobicContact CD1-CG1 3.92Å; L188-I400 HydrophobicContact CD2-CD1 4.48Å; L188-I400 HydrophobicContact CD2-CG1 4.3Å; I400-V402 HydrophobicContact CG2-CG1 3.88Å; I400-V402 PolarHBondContact O-N 3.36Å; I400-V402 VanDerWaalsContact O-N 3.07Å; I400-A403 WeakPolarHBondContact O-CB 3.16Å; I400-A403 PolarHBondContact O-N 3.24Å; I400-L416 HydrophobicContact CD1-CD2 3.97Å
401P88.2Confident93.1Very high43 Ų4319.7 Ų19.728%0.27913%0.131SC..THydrogen-bonded Turntrans-53.7-33.9-168.3-28.736.3000113.5A403 L404P401-A403 PolarHBondContact O-N 2.86Å; P401-L404 PolarHBondContact O-N 2.86Å
402V93.9Very high93.3Very high1 Ų123 Ų231%0.00614%0.144CC..Hα-helixtrans-66.9-17.5-17972.80000114.1Y75 F151 L155 I400 L404 T405 L406Y75-V402 HydrophobicContact CD1-CG1 3.92Å; Y75-V402 HydrophobicContact CD2-CG1 4.15Å; Y75-V402 HydrophobicContact CE1-CG1 3.52Å; Y75-V402 HydrophobicContact CE2-CG1 3.75Å; Y75-V402 HydrophobicContact CG-CG1 4.23Å; Y75-V402 VanDerWaalsContact CZ-CG1 3.43Å; F151-V402 HydrophobicContact CD1-CB 4.16Å; F151-V402 HydrophobicContact CD1-CG2 3.59Å; F151-V402 HydrophobicContact CE1-CB 3.99Å; F151-V402 HydrophobicContact CE1-CG1 4.28Å; F151-V402 HydrophobicContact CE1-CG2 3.22Å; F151-V402 HydrophobicContact CZ-CG2 4.29Å; L155-V402 HydrophobicContact CD1-CG2 3.39Å; I400-V402 HydrophobicContact CG2-CG1 3.88Å; I400-V402 PolarHBondContact O-N 3.36Å; I400-V402 VanDerWaalsContact O-N 3.07Å; V402-L404 PolarHBondContact O-N 3.29Å; V402-T405 PolarHBondContact O-N 3.28Å; V402-T405 VanDerWaalsContact O-N 3.15Å; V402-L406 HydrophobicContact CG1-CD1 4.33Å; V402-L406 HydrophobicContact CG2-CD1 3.97Å; V402-L406 HydrophobicContact CG2-CG 3.77Å; V402-L406 WeakPolarHBondContact O-CB 3.38Å; V402-L406 WeakPolarHBondContact O-CG 3.34Å; V402-L406 PolarHBondContact O-N 2.84Å
403A96.6Very high93.6Very high0 Ų022.9 Ų22.90%014%0.144CC..Hα-helixtrans-55.4-42.2174.500000111.1I171 L188 W367 I400 P401 E407 V414 L416I171-A403 HydrophobicContact CD1-CB 3.96Å; L188-A403 HydrophobicContact CD1-CB 3.93Å; W367-A403 HydrophobicContact CB-CB 4.48Å; W367-A403 HydrophobicContact CD2-CB 3.9Å; W367-A403 HydrophobicContact CE3-CB 4.3Å; W367-A403 HydrophobicContact CG-CB 3.97Å; I400-A403 WeakPolarHBondContact O-CB 3.16Å; I400-A403 PolarHBondContact O-N 3.24Å; P401-A403 PolarHBondContact O-N 2.86Å; A403-E407 PolarHBondContact O-N 3.12Å; A403-V414 HydrophobicContact CB-CG1 4.46Å; A403-L416 HydrophobicContact CB-CD1 4.5Å
404L95.4Very high93.9Very high24 Ų2422.2 Ų22.213%0.12614%0.141CC..Hα-helixtrans-73-41.7175.8-175.261.6000112.1R365 W367 P401 V402 L406 E407 E408R365-L404 HydrophobicContact CB-CD2 3.51Å; R365-L404 HydrophobicContact CG-CD2 4.33Å; W367-L404 HydrophobicContact CB-CB 4.36Å; P401-L404 PolarHBondContact O-N 2.86Å; V402-L404 PolarHBondContact O-N 3.29Å; L404-L406 VanDerWaalsContact C-N 3.32Å; L404-L406 PolarHBondContact O-N 3.02Å; L404-E407 PolarHBondContact O-N 3.2Å; L404-E408 HydrophobicContact CD1-CG 4.38Å; L404-E408 HydrophobicContact CG-CG 4.48Å; L404-E408 WeakPolarHBondContact O-CG 3.16Å; L404-E408 PolarHBondContact O-N 2.97Å
405T95.5Very high94.3Very high4 Ų422.2 Ų22.23%0.02514%0.14CC..Hα-helixtrans-61.2-41.2178.1-55.30000111.7D152 L155 Y156 V402 E408 C409D152-T405 HydrophobicContact CB-CG2 4.18Å; D152-T405 VanDerWaalsContact CG-OG1 3.25Å; D152-T405 VanDerWaalsContact OD1-CB 3.28Å; D152-T405 WeakPolarHBondContact OD1-CB 3.39Å; D152-T405 VanDerWaalsContact OD1-CG2 3.27Å; D152-T405 WeakPolarHBondContact OD1-CG2 3.44Å; D152-T405 PolarHBondContact OD1-OG1 2.81Å; D152-T405 PolarHBondContact OD2-OG1 3.03Å; L155-T405 HydrophobicContact CB-CG2 4.23Å; L155-T405 HydrophobicContact CD1-CG2 3.92Å; Y156-T405 HydrophobicContact CD2-CG2 4.45Å; Y156-T405 HydrophobicContact CE2-CG2 3.97Å; V402-T405 PolarHBondContact O-N 3.28Å; V402-T405 VanDerWaalsContact O-N 3.15Å; T405-E408 PolarHBondContact O-N 3.44Å; T405-C409 VanDerWaalsContact O-CB 3.23Å; T405-C409 WeakPolarHBondContact O-CB 3.18Å; T405-C409 PolarHBondContact O-N 3.3Å; T405-C409 PolarHBondContact O-SG 3.15Å
406L97.4Very high94.7Very high0 Ų022.1 Ų22.10%014%0.14CC..Hα-helixtrans-64.6-42.1176.1-72.9167.2000111.5L73 Y75 V139 L155 V169 I171 V402 L404 C409 T410 V414L73-L406 HydrophobicContact CD2-CD2 3.8Å; Y75-L406 HydrophobicContact CD2-CD1 4.43Å; Y75-L406 HydrophobicContact CG-CD1 3.97Å; V139-L406 HydrophobicContact CG1-CD2 4.46Å; L155-L406 HydrophobicContact CD1-CD2 3.8Å; L155-L406 HydrophobicContact CD1-CG 4.14Å; L155-L406 HydrophobicContact CD2-CD2 4.04Å; V169-L406 HydrophobicContact CG1-CB 4.3Å; V169-L406 HydrophobicContact CG1-CD1 4.09Å; I171-L406 HydrophobicContact CD1-CD1 4.06Å; V402-L406 HydrophobicContact CG1-CD1 4.33Å; V402-L406 HydrophobicContact CG2-CD1 3.97Å; V402-L406 HydrophobicContact CG2-CG 3.77Å; V402-L406 WeakPolarHBondContact O-CB 3.38Å; V402-L406 WeakPolarHBondContact O-CG 3.34Å; V402-L406 PolarHBondContact O-N 2.84Å; L404-L406 VanDerWaalsContact C-N 3.32Å; L404-L406 PolarHBondContact O-N 3.02Å; L406-C409 PolarHBondContact O-N 2.81Å; L406-T410 VanDerWaalsContact O-CB 3.3Å; L406-T410 WeakPolarHBondContact O-CB 3.34Å; L406-T410 VanDerWaalsContact O-CG2 3.27Å; L406-T410 WeakPolarHBondContact O-CG2 3.32Å; L406-T410 PolarHBondContact O-N 3.41Å; L406-T410 PolarHBondContact O-OG1 2.8Å; L406-V414 HydrophobicContact CB-CG2 4.36Å
407E96.9Very high95.2Very high44 Ų4420.5 Ų20.521%0.20613%0.133CC..Hα-helixtrans-61-45.6174.3-173.6159.5-124.200111.4W367 A403 L404 G411 V414W367-E407 PolarHBondContact NE1-OE2 2.77Å; W367-E407 VanDerWaalsContact NE1-OE2 3.15Å; A403-E407 PolarHBondContact O-N 3.12Å; L404-E407 PolarHBondContact O-N 3.2Å; E407-G411 WeakPolarHBondContact O-CA 3.34Å; E407-G411 PolarHBondContact O-N 3.43Å; E407-V414 HydrophobicContact CB-CG2 3.7Å; E407-V414 HydrophobicContact CG-CG2 4.45Å
408E96.4Very high95.7Very high60 Ų6019.5 Ų19.528%0.2812%0.122SC..Hα-helixtrans-69.4-35.8179-72.4177.5159.900113.5Y156 K159 R365 L404 T405Y156-E408 PolarHBondContact OH-OE2 3.49Å; K159-E408 PolarHBondContact NZ-O 2.92Å; R365-E408 IonicContact CZ-OE1 3.92Å; R365-E408 VanDerWaalsContact CZ-OE1 3.23Å; R365-E408 IonicContact CZ-OE2 3.31Å; R365-E408 IonicContact NH1-OE1 3.82Å; R365-E408 PolarHBondContact NH1-OE1 2.97Å; R365-E408 IonicContact NH2-OE1 2.69Å; R365-E408 PolarHBondContact NH2-OE1 3.38Å; R365-E408 IonicContact NH2-OE2 3.38Å; R365-E408 PolarHBondContact NH2-OE2 2.96Å; L404-E408 HydrophobicContact CD1-CG 4.38Å; L404-E408 HydrophobicContact CG-CG 4.48Å; L404-E408 WeakPolarHBondContact O-CG 3.16Å; L404-E408 PolarHBondContact O-N 2.97Å; T405-E408 PolarHBondContact O-N 3.44Å
409C97.4Very high96.2Very high4 Ų418.3 Ų18.33%0.02711%0.11CC..Hα-helixtrans-76.7-41.5179.7-70.60000111.8K159 L163 T405 L406K159-C409 HydrophobicContact CB-CB 4.45Å; K159-C409 WeakPolarHBondContact CG-O 3.19Å; L163-C409 HydrophobicContact CD1-CB 3.72Å; T405-C409 VanDerWaalsContact O-CB 3.23Å; T405-C409 WeakPolarHBondContact O-CB 3.18Å; T405-C409 PolarHBondContact O-N 3.3Å; T405-C409 PolarHBondContact O-SG 3.15Å; L406-C409 PolarHBondContact O-N 2.81Å
410T97.8Very high96.5Very high17 Ų1717.5 Ų17.510%0.10411%0.105CC..Hα-helixtrans-85.7-27.1-179.4650000112.7L73 L163 V166 V169 L406 K412L73-T410 HydrophobicContact CD2-CG2 4.16Å; L163-T410 HydrophobicContact CB-CG2 4.3Å; L163-T410 HydrophobicContact CD1-CG2 4.45Å; L163-T410 HydrophobicContact CD2-CG2 4.1Å; V166-T410 HydrophobicContact CB-CG2 4.37Å; V166-T410 HydrophobicContact CG1-CG2 4.23Å; V169-T410 HydrophobicContact CG2-CG2 4.08Å; L406-T410 VanDerWaalsContact O-CB 3.3Å; L406-T410 WeakPolarHBondContact O-CB 3.34Å; L406-T410 VanDerWaalsContact O-CG2 3.27Å; L406-T410 WeakPolarHBondContact O-CG2 3.32Å; L406-T410 PolarHBondContact O-N 3.41Å; L406-T410 PolarHBondContact O-OG1 2.8Å; T410-K412 PolarHBondContact O-N 2.96Å; T410-K412 WeakPolarHBondContact OG1-CB 3.23Å; T410-K412 PolarHBondContact OG1-N 3.48Å; T410-K412 VanDerWaalsContact OG1-N 3.11Å
411G97.2Very high96.6Very high63 Ų6317 Ų1765%0.64910%0.102SC*.  trans63.122.1-166.800000112.8E407E407-G411 WeakPolarHBondContact O-CA 3.34Å; E407-G411 PolarHBondContact O-N 3.43Å
412K98.2Very high96.7Very high81 Ų8115.8 Ų15.835%0.35210%0.098SC..SBendtrans-116.1157.8-176.4-55-54.7171.6-175.90110.9V166 D167 T410 V414V166-K412 HydrophobicContact CG1-CG 4.42Å; V166-K412 WeakPolarHBondContact O-CE 3.49Å; V166-K412 WeakPolarHBondContact O-CG 3.44Å; D167-K412 WeakPolarHBondContact O-CB 3.18Å; T410-K412 PolarHBondContact O-N 2.96Å; T410-K412 WeakPolarHBondContact OG1-CB 3.23Å; T410-K412 PolarHBondContact OG1-N 3.48Å; T410-K412 VanDerWaalsContact OG1-N 3.11Å; K412-V414 PolarHBondContact O-N 3.33Å
413N98.3Very high96.6Very high14 Ų1416.9 Ų16.98%0.07510%0.104CC..  trans-67.2130.4178.7-179.2-97.5000111V169 S369 D370 N373 N375 F376V169-N413 PolarHBondContact N-O 3.17Å; V169-N413 VanDerWaalsContact N-O 3.1Å; S369-N413 PolarHBondContact OG-ND2 3.34Å; D370-N413 PolarHBondContact O-ND2 3.44Å; N373-N413 HydrophobicContact CB-CB 4.08Å; N373-N413 VanDerWaalsContact CB-CG 3.49Å; N373-N413 WeakPolarHBondContact CB-ND2 3.4Å; N373-N413 VanDerWaalsContact CG-CB 3.44Å; N373-N413 VanDerWaalsContact CG-CG 3.43Å; N375-N413 WeakPolarHBondContact CB-OD1 3.3Å; N375-N413 PolarHBondContact ND2-O 3.07Å; N375-N413 VanDerWaalsContact ND2-O 3.14Å; N375-N413 PolarHBondContact ND2-OD1 3.29Å; F376-N413 WeakPolarHBondContact CE2-OD1 3.44Å
414V98.6Very high96.6Very high0 Ų016.9 Ų16.90%010%0.104CC..EExtended strand (participates in β ladder)trans-99.3135.5172.8-179.20000109V169 I171 W367 S369 F376 A403 L406 E407 K412 L416V169-V414 HydrophobicContact CB-CB 4.31Å; V169-V414 HydrophobicContact CB-CG1 4.42Å; V169-V414 HydrophobicContact CB-CG2 3.81Å; V169-V414 HydrophobicContact CG1-CG1 4.2Å; V169-V414 HydrophobicContact CG1-CG2 4.09Å; V169-V414 HydrophobicContact CG2-CG2 4.17Å; I171-V414 HydrophobicContact CD1-CG1 3.86Å; I171-V414 HydrophobicContact CG1-CG1 4.26Å; W367-V414 HydrophobicContact CH2-CG1 4.5Å; W367-V414 HydrophobicContact CZ2-CB 3.78Å; W367-V414 HydrophobicContact CZ2-CG1 3.82Å; W367-V414 WeakPolarHBondContact CZ2-O 3.45Å; S369-V414 WeakPolarHBondContact CB-O 3.31Å; S369-V414 PolarHBondContact OG-O 3.5Å; F376-V414 WeakPolarHBondContact CE2-O 3.38Å; A403-V414 HydrophobicContact CB-CG1 4.46Å; L406-V414 HydrophobicContact CB-CG2 4.36Å; E407-V414 HydrophobicContact CB-CG2 3.7Å; E407-V414 HydrophobicContact CG-CG2 4.45Å; K412-V414 PolarHBondContact O-N 3.33Å; V414-L416 HydrophobicContact CG1-CD1 4.22Å
415M98.5Very high96.5Very high0 Ų019.8 Ų19.80%012%0.117CC..EExtended strand (participates in β ladder)trans-125.7137172.7178.5-17765.100109.5V169 C170 I171 I184 N375 F376 L417 Y448V169-M415 PolarHBondContact O-N 3.36Å; C170-M415 WeakPolarHBondContact CA-O 3.5Å; I171-M415 PolarHBondContact N-O 2.94Å; I184-M415 HydrophobicContact CG2-CG 3.6Å; I184-M415 HydrophobicContact CG2-SD 3.72Å; N375-M415 WeakPolarHBondContact ND2-CB 3.26Å; N375-M415 VanDerWaalsContact O-SD 3.39Å; F376-M415 HydrophobicContact CD1-CG 4.12Å; F376-M415 HydrophobicContact CD1-SD 4.4Å; F376-M415 HydrophobicContact CD2-CB 4.24Å; F376-M415 HydrophobicContact CD2-CG 4.32Å; F376-M415 HydrophobicContact CE1-CB 4.49Å; F376-M415 HydrophobicContact CE1-CG 3.94Å; F376-M415 HydrophobicContact CE2-CB 3.87Å; F376-M415 HydrophobicContact CE2-CG 4.15Å; F376-M415 HydrophobicContact CG-CG 4.3Å; F376-M415 HydrophobicContact CG-SD 4.33Å; F376-M415 HydrophobicContact CZ-CB 4.01Å; F376-M415 HydrophobicContact CZ-CG 3.96Å; M415-L417 HydrophobicContact CE-CB 4.26Å; M415-L417 HydrophobicContact CE-CD1 4.14Å; M415-L417 HydrophobicContact CE-CD2 4.47Å; M415-L417 HydrophobicContact SD-CD1 4.46Å; M415-Y448 HydrophobicContact CE-CD2 3.9Å; M415-Y448 HydrophobicContact CE-CE2 3.48Å; M415-Y448 VanDerWaalsContact CE-CE2 3.48Å
416L98.5Very high96.5Very high0 Ų020.7 Ų20.70%013%0.126CC..EExtended strand (participates in β ladder)trans-98.6120168-90.366.7000109.9I171 N174 I184 T185 L188 W367 I400 A403 V414I171-L416 HydrophobicContact CB-CD1 3.86Å; I171-L416 HydrophobicContact CB-CG 3.97Å; I171-L416 HydrophobicContact CD1-CD1 4.05Å; I171-L416 HydrophobicContact CG1-CD1 4.34Å; I171-L416 HydrophobicContact CG2-CD1 4.34Å; I171-L416 HydrophobicContact CG2-CG 4.14Å; I171-L416 CarbonylContact O-C 3.22Å; I171-L416 VanDerWaalsContact O-CA 3.32Å; I171-L416 WeakPolarHBondContact O-CA 3.24Å; N174-L416 HydrophobicContact CB-CD2 4.14Å; I184-L416 WeakPolarHBondContact CG2-O 3.09Å; T185-L416 HydrophobicContact CG2-CB 4.32Å; T185-L416 HydrophobicContact CG2-CD2 4.12Å; T185-L416 PolarHBondContact N-O 2.91Å; T185-L416 WeakPolarHBondContact O-CB 3.44Å; T185-L416 PolarHBondContact O-N 3.1Å; L188-L416 HydrophobicContact CD1-CD1 4.47Å; L188-L416 HydrophobicContact CD1-CD2 3.71Å; L188-L416 HydrophobicContact CD2-CD2 3.91Å; L188-L416 HydrophobicContact CG-CD2 3.92Å; W367-L416 HydrophobicContact CE3-CD1 4.39Å; W367-L416 HydrophobicContact CH2-CD1 3.56Å; W367-L416 HydrophobicContact CZ2-CD1 4.27Å; W367-L416 HydrophobicContact CZ3-CD1 3.63Å; W367-L416 HydrophobicContact CZ3-CD2 4.34Å; W367-L416 HydrophobicContact CZ3-CG 4.45Å; I400-L416 HydrophobicContact CD1-CD2 3.97Å; A403-L416 HydrophobicContact CB-CD1 4.5Å; V414-L416 HydrophobicContact CG1-CD1 4.22Å
417L97.9Very high96.4Very high0 Ų025.8 Ų25.80%015%0.149CC..EExtended strand (participates in β ladder)trans-111.492.8-177.6-165.970.5000109.8I171 I184 M383 M415 L419 L444 L445 Y448I171-L417 PolarHBondContact O-N 2.83Å; I184-L417 HydrophobicContact CD1-CD1 4.31Å; I184-L417 HydrophobicContact CG1-CD1 4.05Å; M383-L417 HydrophobicContact CE-CD1 3.36Å; M383-L417 HydrophobicContact CE-CG 3.97Å; M383-L417 HydrophobicContact CG-CD1 4.35Å; M383-L417 HydrophobicContact SD-CD1 4.16Å; M415-L417 HydrophobicContact CE-CB 4.26Å; M415-L417 HydrophobicContact CE-CD1 4.14Å; M415-L417 HydrophobicContact CE-CD2 4.47Å; M415-L417 HydrophobicContact SD-CD1 4.46Å; L417-L419 PolarHBondContact O-N 3.26Å; L417-L444 HydrophobicContact CD1-CD2 4.44Å; L417-L444 HydrophobicContact CD2-CD1 4.22Å; L417-L444 HydrophobicContact CD2-CD2 4.15Å; L417-L444 HydrophobicContact CD2-CG 3.98Å; L417-L444 HydrophobicContact CG-CD2 4.09Å; L417-L444 HydrophobicContact CG-CG 4.45Å; L417-L445 HydrophobicContact CD2-CD2 3.99Å; L417-Y448 HydrophobicContact CD2-CG 4.37Å
418A97.4Very high96.4Very high0 Ų025.2 Ų25.20%015%0.15CC..  trans-68126.9-172.500000112.6N174 W176N174-A418 WeakPolarHBondContact O-CA 3.48Å; N174-A418 WeakPolarHBondContact O-CB 3.5Å; N174-A418 VanDerWaalsContact OD1-CA 3.3Å; N174-A418 WeakPolarHBondContact OD1-CA 3.3Å; N174-A418 WeakPolarHBondContact OD1-CB 3.43Å; N174-A418 PolarHBondContact OD1-N 3.21Å; W176-A418 PolarHBondContact NE1-O 3.36Å
419L97.9Very high96.3Very high0 Ų026.1 Ų26.10%015%0.154CC..  trans-102.2-37.8173.8-56.8-161000112.2P114 A117 C172 N174 L417 N437 L444 L445P114-L419 HydrophobicContact CB-CD1 4.04Å; P114-L419 HydrophobicContact CB-CG 4.47Å; P114-L419 HydrophobicContact CG-CB 4.45Å; P114-L419 HydrophobicContact CG-CD1 4.5Å; A117-L419 HydrophobicContact CB-CD1 4.11Å; C172-L419 HydrophobicContact CB-CG 4.47Å; N174-L419 PolarHBondContact O-N 2.97Å; L417-L419 PolarHBondContact O-N 3.26Å; L419-N437 WeakPolarHBondContact O-CB 3.48Å; L419-N437 PolarHBondContact O-ND2 3.4Å; L419-L444 HydrophobicContact CD2-CD2 3.7Å; L419-L445 HydrophobicContact CD1-CD1 4.11Å; L419-L445 HydrophobicContact CD1-CD2 4.45Å; L419-L445 HydrophobicContact CD1-CG 4.3Å; L419-L445 HydrophobicContact CD2-CD2 4.28Å
420G96.8Very high96.3Very high1 Ų128 Ų281%0.0116%0.164CC..BIsolated β-bridgetrans-69.7157.7-178.200000113.3W176 D424W176-G420 VanDerWaalsContact CG-O 3.32Å; W176-G420 PolarHBondContact N-O 3.44Å; G420-D424 WeakPolarHBondContact CA-OD2 3.43Å
421A94.6Very high96.4Very high0 Ų027.2 Ų27.20%016%0.159CC..  trans-91.6158.8173.400000111.3D423 D424A421-D423 PolarHBondContact O-N 2.78Å; A421-D424 WeakPolarHBondContact CB-OD1 3.3Å; A421-D424 PolarHBondContact N-OD1 2.8Å; A421-D424 PolarHBondContact N-OD2 3.31Å; A421-D424 VanDerWaalsContact O-CB 3.23Å; A421-D424 WeakPolarHBondContact O-CB 3.48Å; A421-D424 VanDerWaalsContact O-CG 3.25Å; A421-D424 PolarHBondContact O-N 3.11Å
422G90.1Very high96.4Very high19 Ų1924.4 Ų24.420%0.19613%0.129CC..THydrogen-bonded Turntrans-63.8-14.6-179.200000115.1W176 G178 Y267W176-G422 WeakPolarHBondContact O-CA 3.45Å; W176-G422 PolarHBondContact O-N 3.41Å; G178-G422 PolarHBondContact O-N 3.18Å; Y267-G422 WeakPolarHBondContact CE2-O 3.34Å
423D91.8Very high96.4Very high24 Ų2420.5 Ų20.513%0.12811%0.112CC..THydrogen-bonded Turntrans-103.517.9175.782.4-39.2000113.5K102 Y267 A421 M425 K432K102-D423 IonicContact NZ-OD2 3.16Å; Y267-D423 HydrophobicContact CD1-CB 3.53Å; Y267-D423 HydrophobicContact CE1-CB 4.18Å; Y267-D423 HydrophobicContact CG-CB 3.8Å; A421-D423 PolarHBondContact O-N 2.78Å; D423-M425 WeakPolarHBondContact O-CG 3.22Å; D423-M425 PolarHBondContact O-N 2.86Å; D423-K432 WeakPolarHBondContact O-CE 3.42Å; D423-K432 WeakPolarHBondContact OD1-CE 3.3Å; D423-K432 IonicContact OD1-NZ 2.69Å; D423-K432 PolarHBondContact OD1-NZ 3.33Å; D423-K432 IonicContact OD2-NZ 3.52Å; D423-K432 PolarHBondContact OD2-NZ 2.92Å
424D95.8Very high96.4Very high0 Ų020.9 Ų20.90%011%0.114CC..SBendtrans-70.4-19.4178.2-79.99.1000113T109 G420 A421 A426 E431 K432T109-D424 WeakPolarHBondContact CB-OD2 3.44Å; T109-D424 HydrophobicContact CG2-CB 3.63Å; T109-D424 PolarHBondContact OG1-OD2 3.22Å; G420-D424 WeakPolarHBondContact CA-OD2 3.43Å; A421-D424 WeakPolarHBondContact CB-OD1 3.3Å; A421-D424 PolarHBondContact N-OD1 2.8Å; A421-D424 PolarHBondContact N-OD2 3.31Å; A421-D424 VanDerWaalsContact O-CB 3.23Å; A421-D424 WeakPolarHBondContact O-CB 3.48Å; A421-D424 VanDerWaalsContact O-CG 3.25Å; A421-D424 PolarHBondContact O-N 3.11Å; D424-A426 PolarHBondContact O-N 3.2Å; D424-E431 VanDerWaalsContact O-CA 3.31Å; D424-E431 WeakPolarHBondContact O-CA 3.26Å; D424-K432 WeakPolarHBondContact CA-O 3.47Å; D424-K432 WeakPolarHBondContact CB-O 3.38Å; D424-K432 PolarHBondContact O-N 2.87Å; D424-K432 WeakPolarHBondContact OD1-CE 3.3Å; D424-K432 IonicContact OD1-NZ 3.95Å
425M93.7Very high96.4Very high84 Ų8424.1 Ų24.141%0.41413%0.128SC..  trans58.344.9172.7-57.2-58.3-6200113.6D423 S428D423-M425 WeakPolarHBondContact O-CG 3.22Å; D423-M425 PolarHBondContact O-N 2.86Å; M425-S428 VanDerWaalsContact O-CB 3.3Å; M425-S428 WeakPolarHBondContact O-CB 3.31Å; M425-S428 PolarHBondContact O-N 2.71Å; M425-S428 VanDerWaalsContact O-N 3.14Å
426A95.9Very high96.4Very high24 Ų2429.2 Ų29.220%0.19815%0.148CC..THydrogen-bonded Turntrans-51.7148.5169.600000111.8T109 D110 Y175 D424 S428T109-A426 HydrophobicContact CG2-CB 4.18Å; D110-A426 HydrophobicContact CB-CB 4.07Å; Y175-A426 HydrophobicContact CE1-CB 3.95Å; Y175-A426 HydrophobicContact CE2-CB 4Å; Y175-A426 WeakPolarHBondContact OH-CB 3.45Å; D424-A426 PolarHBondContact O-N 3.2Å; A426-S428 PolarHBondContact O-N 3.46Å
427H95.7Very high96.4Very high106 Ų10629.2 Ų29.249%0.49115%0.148SC..THydrogen-bonded Turntrans58.66.1-172.9-56.4-131.3000115.8Q81 D110 E145Q81-H427 HydrophobicContact CG-CB 4.21Å; Q81-H427 WeakPolarHBondContact CG-ND1 3.31Å; Q81-H427 PolarHBondContact NE2-CE1 3.17Å; Q81-H427 PolarHBondContact NE2-ND1 3.46Å; D110-H427 IonicContact OD2-CD2 2.87Å; D110-H427 PolarHBondContact OD2-CD2 3.1Å; D110-H427 IonicContact OD2-NE2 2.74Å; D110-H427 PolarHBondContact OD2-NE2 2.94Å; E145-H427 IonicContact OE2-CE1 2.72Å; E145-H427 PolarHBondContact OE2-CE1 3.35Å; E145-H427 IonicContact OE2-ND1 3.23Å; E145-H427 IonicContact OE2-NE2 3.81Å
428S95.3Very high96.4Very high32 Ų3229.2 Ų29.222%0.22415%0.148CC..SBendtrans-117.5175-174.3-1760000112.4W89 M425 A426W89-S428 WeakPolarHBondContact CZ2-O 3.29Å; M425-S428 VanDerWaalsContact O-CB 3.3Å; M425-S428 WeakPolarHBondContact O-CB 3.31Å; M425-S428 PolarHBondContact O-N 2.71Å; M425-S428 VanDerWaalsContact O-N 3.14Å; A426-S428 PolarHBondContact O-N 3.46Å
429Q95.8Very high96.5Very high79 Ų7929.7 Ų29.737%0.36915%0.15SC..THydrogen-bonded Turntrans-65.4145.6167.3-54.983-6.400110.8D87 W89 E431D87-Q429 HydrophobicContact CB-CG 4.25Å; D87-Q429 WeakPolarHBondContact O-CG 3.13Å; D87-Q429 PolarHBondContact O-NE2 2.86Å; W89-Q429 HydrophobicContact CG-CB 4.41Å; Q429-E431 VanDerWaalsContact C-N 3.27Å; Q429-E431 PolarHBondContact O-N 2.7Å
430N97.2Very high96.5Very high44 Ų4431.2 Ų31.224%0.23516%0.158CC..THydrogen-bonded Turntrans61.533.5176.6-44.7-73.1000113.4S90 Y104 K432S90-N430 VanDerWaalsContact CB-OD1 3.23Å; S90-N430 WeakPolarHBondContact CB-OD1 3.44Å; S90-N430 PolarHBondContact N-OD1 2.89Å; S90-N430 PolarHBondContact OG-OD1 2.86Å; Y104-N430 HydrophobicContact CD1-CB 4.25Å; Y104-N430 WeakPolarHBondContact CD1-O 3.4Å; Y104-N430 HydrophobicContact CE1-CB 4.27Å; N430-K432 PolarHBondContact O-N 3.34Å
431E98.6Very high96.6Very high0 Ų031.2 Ų31.20%016%0.158CC..  trans-49.5138.3168.2-170.8-161.713800110W89 Y104 G105 R106 G107 A108 T109 D110 D424 Q429W89-E431 HydrophobicContact CH2-CB 3.71Å; W89-E431 HydrophobicContact CZ2-CB 4.42Å; W89-E431 HydrophobicContact CZ3-CB 4.5Å; Y104-E431 WeakPolarHBondContact CA-O 3.43Å; G105-E431 PolarHBondContact N-O 3.32Å; R106-E431 WeakPolarHBondContact CA-OE2 3.43Å; R106-E431 WeakPolarHBondContact CD-OE2 3.48Å; R106-E431 IonicContact CZ-OE2 3.02Å; R106-E431 IonicContact NE-OE2 2.55Å; R106-E431 IonicContact NH1-OE2 3.94Å; R106-E431 PolarHBondContact NH1-OE2 2.93Å; G107-E431 WeakPolarHBondContact CA-OE1 3.5Å; G107-E431 VanDerWaalsContact N-CD 3.27Å; G107-E431 PolarHBondContact N-OE1 3.44Å; G107-E431 PolarHBondContact N-OE2 3.36Å; A108-E431 PolarHBondContact N-OE1 3.28Å; T109-E431 HydrophobicContact CG2-CG 3.82Å; T109-E431 PolarHBondContact N-OE1 2.7Å; D110-E431 PolarHBondContact N-OE1 3.42Å; D424-E431 VanDerWaalsContact O-CA 3.31Å; D424-E431 WeakPolarHBondContact O-CA 3.26Å; Q429-E431 VanDerWaalsContact C-N 3.27Å; Q429-E431 PolarHBondContact O-N 2.7Å
432K98.4Very high96.7Very high4 Ų431.3 Ų31.32%0.01716%0.158CC..EExtended strand (participates in β ladder)trans-145.6156.7178.365.292.2-159.5-103.90111K102 L103 Y104 D423 D424 N430 N434K102-K432 HydrophobicContact CB-CB 4.48Å; K102-K432 HydrophobicContact CB-CD 4.12Å; K102-K432 HydrophobicContact CD-CD 4.13Å; K102-K432 HydrophobicContact CG-CD 4.22Å; L103-K432 WeakPolarHBondContact O-CA 3.3Å; Y104-K432 HydrophobicContact CD1-CB 3.66Å; Y104-K432 HydrophobicContact CD1-CG 4.39Å; Y104-K432 HydrophobicContact CE1-CB 3.8Å; Y104-K432 HydrophobicContact CE1-CG 4.02Å; Y104-K432 HydrophobicContact CG-CB 4.11Å; D423-K432 WeakPolarHBondContact O-CE 3.42Å; D423-K432 WeakPolarHBondContact OD1-CE 3.3Å; D423-K432 IonicContact OD1-NZ 2.69Å; D423-K432 PolarHBondContact OD1-NZ 3.33Å; D423-K432 IonicContact OD2-NZ 3.52Å; D423-K432 PolarHBondContact OD2-NZ 2.92Å; D424-K432 WeakPolarHBondContact CA-O 3.47Å; D424-K432 WeakPolarHBondContact CB-O 3.38Å; D424-K432 PolarHBondContact O-N 2.87Å; D424-K432 WeakPolarHBondContact OD1-CE 3.3Å; D424-K432 IonicContact OD1-NZ 3.95Å; N430-K432 PolarHBondContact O-N 3.34Å; K432-N434 WeakPolarHBondContact CD-OD1 3.35Å; K432-N434 WeakPolarHBondContact CE-OD1 3.21Å; K432-N434 PolarHBondContact NZ-OD1 3.34Å
433I98.6Very high97.1Very high0 Ų033.6 Ų33.60%016%0.163CC..EExtended strand (participates in β ladder)trans-113.3134.5154.3-166.3168.1000108.7L13 L103 A108 K435 N437L13-I433 HydrophobicContact CD2-CG2 3.96Å; L103-I433 HydrophobicContact CB-CG2 4.02Å; L103-I433 WeakPolarHBondContact CB-O 3.49Å; L103-I433 HydrophobicContact CD1-CG2 4.19Å; L103-I433 PolarHBondContact N-O 2.92Å; L103-I433 PolarHBondContact O-N 3.33Å; A108-I433 HydrophobicContact CB-CG2 4.18Å; A108-I433 WeakPolarHBondContact O-CB 3.43Å; A108-I433 VanDerWaalsContact O-CG2 3.3Å; A108-I433 WeakPolarHBondContact O-CG2 3.45Å; I433-K435 PolarHBondContact O-N 3.41Å; I433-N437 HydrophobicContact CG1-CB 4.29Å
434N98.2Very high97.4Very high22 Ų2232.5 Ų32.512%0.11816%0.157CC..EExtended strand (participates in β ladder)trans-64.8136.9173.6-64.1-37.6000109.2K102 K432 R436 N437 Y438K102-N434 WeakPolarHBondContact CG-OD1 3.42Å; K432-N434 WeakPolarHBondContact CD-OD1 3.35Å; K432-N434 WeakPolarHBondContact CE-OD1 3.21Å; K432-N434 PolarHBondContact NZ-OD1 3.34Å; N434-R436 PolarHBondContact O-N 3.45Å; N434-N437 HydrophobicContact CB-CB 4.04Å; N434-N437 WeakPolarHBondContact CB-OD1 3.47Å; N434-N437 PolarHBondContact ND2-OD1 2.93Å; N434-N437 WeakPolarHBondContact O-CA 3.41Å; N434-N437 WeakPolarHBondContact O-CB 3.32Å; N434-N437 PolarHBondContact O-N 3.26Å; N434-Y438 PolarHBondContact O-N 2.98Å
435K98.4Very high97.6Very high67 Ų6732.5 Ų32.529%0.29116%0.157SC..Hα-helixtrans-57.7-37.2176.4-172.6172.572.2-173.90111.3V6 V10 E98 G101 L103 I433 N437 Y438 I439V6-K435 HydrophobicContact CG1-CD 4.24Å; V10-K435 HydrophobicContact CG2-CD 4.2Å; V10-K435 HydrophobicContact CG2-CG 4.46Å; E98-K435 WeakPolarHBondContact OE1-CD 3.26Å; E98-K435 WeakPolarHBondContact OE1-CE 3.47Å; E98-K435 IonicContact OE1-NZ 3.44Å; E98-K435 PolarHBondContact OE1-NZ 2.86Å; G101-K435 VanDerWaalsContact O-CB 3.3Å; G101-K435 WeakPolarHBondContact O-CB 3.47Å; G101-K435 PolarHBondContact O-N 3.3Å; L103-K435 HydrophobicContact CD1-CB 4.49Å; L103-K435 HydrophobicContact CD2-CB 4.47Å; L103-K435 HydrophobicContact CG-CB 4.3Å; I433-K435 PolarHBondContact O-N 3.41Å; K435-N437 PolarHBondContact O-N 3.24Å; K435-Y438 PolarHBondContact O-N 3.17Å; K435-I439 HydrophobicContact CG-CG1 4.15Å; K435-I439 WeakPolarHBondContact O-CB 3.31Å; K435-I439 VanDerWaalsContact O-CG1 3.28Å; K435-I439 WeakPolarHBondContact O-CG1 3.5Å; K435-I439 PolarHBondContact O-N 3.24Å
436R97.6Very high97.8Very high108 Ų10829 Ų2941%0.40814%0.142SC..Hα-helixtrans-54.9-51.5171.6174.3-178.1168.7-113.15.3111.2N434 L440N434-R436 PolarHBondContact O-N 3.45Å; R436-L440 HydrophobicContact CG-CD1 3.69Å; R436-L440 HydrophobicContact CG-CG 4.26Å; R436-L440 VanDerWaalsContact O-CB 3.24Å; R436-L440 WeakPolarHBondContact O-CB 3.49Å; R436-L440 WeakPolarHBondContact O-CG 3.47Å; R436-L440 PolarHBondContact O-N 3.18Å
437N98.3Very high97.9Very high0 Ų028.7 Ų28.70%014%0.14CC..Hα-helixtrans-62.6-44.7-178.5-76.270.2000111.6L419 I433 N434 K435 G441L419-N437 WeakPolarHBondContact O-CB 3.48Å; L419-N437 PolarHBondContact O-ND2 3.4Å; I433-N437 HydrophobicContact CG1-CB 4.29Å; N434-N437 HydrophobicContact CB-CB 4.04Å; N434-N437 WeakPolarHBondContact CB-OD1 3.47Å; N434-N437 PolarHBondContact ND2-OD1 2.93Å; N434-N437 WeakPolarHBondContact O-CA 3.41Å; N434-N437 WeakPolarHBondContact O-CB 3.32Å; N434-N437 PolarHBondContact O-N 3.26Å; K435-N437 PolarHBondContact O-N 3.24Å; N437-G441 WeakPolarHBondContact O-CA 3.49Å; N437-G441 PolarHBondContact O-N 2.86Å
438Y98.6Very high98Very high0 Ų023.6 Ų23.60%012%0.116CC..Hα-helixtrans-63.6-45.6178.5178.5-128.6000113.1Y9 L13 L103 G113 V116 A117 N120 N434 K435 T442Y9-Y438 WeakPolarHBondContact O-CE1 3.42Å; Y9-Y438 PolarHBondContact O-OH 3.26Å; L13-Y438 HydrophobicContact CB-CE1 4.23Å; L13-Y438 HydrophobicContact CD2-CD1 4.3Å; L13-Y438 HydrophobicContact CD2-CD2 4.4Å; L13-Y438 HydrophobicContact CD2-CE1 4.13Å; L13-Y438 HydrophobicContact CD2-CE2 4.27Å; L13-Y438 HydrophobicContact CD2-CG 4.42Å; L103-Y438 HydrophobicContact CD1-CD1 4.04Å; G113-Y438 WeakPolarHBondContact O-CE2 3.13Å; V116-Y438 WeakPolarHBondContact CG1-OH 3.44Å; A117-Y438 HydrophobicContact CB-CD2 4.32Å; A117-Y438 HydrophobicContact CB-CE2 4.1Å; N120-Y438 PolarHBondContact ND2-OH 2.78Å; N434-Y438 PolarHBondContact O-N 2.98Å; K435-Y438 PolarHBondContact O-N 3.17Å; Y438-T442 PolarHBondContact O-N 2.92Å; Y438-T442 PolarHBondContact O-OG1 3.37Å
439I98.4Very high98.2Very high9 Ų922.1 Ų22.15%0.04611%0.106CC..Hα-helixtrans-74.6-45.7-178.2-60-52.3000112V2 V6 Y9 K435 G441 T442 K443V2-I439 HydrophobicContact CG1-CG2 3.88Å; V6-I439 HydrophobicContact CB-CD1 4.26Å; V6-I439 HydrophobicContact CG1-CD1 4Å; V6-I439 HydrophobicContact CG1-CG1 4.07Å; V6-I439 HydrophobicContact CG2-CD1 3.89Å; V6-I439 HydrophobicContact CG2-CG1 3.96Å; V6-I439 HydrophobicContact CG2-CG2 3.85Å; Y9-I439 HydrophobicContact CD2-CD1 4.05Å; K435-I439 HydrophobicContact CG-CG1 4.15Å; K435-I439 WeakPolarHBondContact O-CB 3.31Å; K435-I439 VanDerWaalsContact O-CG1 3.28Å; K435-I439 WeakPolarHBondContact O-CG1 3.5Å; K435-I439 PolarHBondContact O-N 3.24Å; I439-G441 VanDerWaalsContact C-N 3.3Å; I439-T442 WeakPolarHBondContact O-CB 3.4Å; I439-T442 PolarHBondContact O-N 2.87Å; I439-K443 PolarHBondContact O-N 2.52Å
440L98.2Very high98.3Very high33 Ų3322.9 Ų22.917%0.17311%0.108CC..Hα-helixtrans-68.2-33.7174.9-65.1-175.2000111.3V386 Y387 R436 T442 K443 L444V386-L440 HydrophobicContact CG1-CB 3.99Å; V386-L440 HydrophobicContact CG1-CD2 4.21Å; Y387-L440 HydrophobicContact CD1-CD1 4.03Å; Y387-L440 HydrophobicContact CE1-CB 3.84Å; Y387-L440 HydrophobicContact CE1-CD1 3.64Å; Y387-L440 HydrophobicContact CE1-CG 4.41Å; R436-L440 HydrophobicContact CG-CD1 3.69Å; R436-L440 HydrophobicContact CG-CG 4.26Å; R436-L440 VanDerWaalsContact O-CB 3.24Å; R436-L440 WeakPolarHBondContact O-CB 3.49Å; R436-L440 WeakPolarHBondContact O-CG 3.47Å; R436-L440 PolarHBondContact O-N 3.18Å; L440-T442 PolarHBondContact O-N 2.94Å; L440-K443 HydrophobicContact CD2-CD 4.11Å; L440-K443 CarbonylContact O-C 3.37Å; L440-K443 WeakPolarHBondContact O-CA 3.3Å; L440-K443 WeakPolarHBondContact O-CB 3.47Å; L440-K443 PolarHBondContact O-N 3.48Å; L440-K443 VanDerWaalsContact O-N 3.08Å; L440-L444 WeakPolarHBondContact O-CB 3.39Å; L440-L444 PolarHBondContact O-N 2.93Å
441G98.3Very high98.3Very high0 Ų022.4 Ų22.40%010%0.104CC..Hα-helixtrans-57.4-47171.500000111.4N437 I439 K443 L444 L445N437-G441 WeakPolarHBondContact O-CA 3.49Å; N437-G441 PolarHBondContact O-N 2.86Å; I439-G441 VanDerWaalsContact C-N 3.3Å; G441-K443 VanDerWaalsContact C-N 3.29Å; G441-K443 PolarHBondContact O-N 3.2Å; G441-L444 WeakPolarHBondContact O-CB 3.44Å; G441-L444 PolarHBondContact O-N 3.28Å; G441-L445 VanDerWaalsContact O-CG 3.31Å; G441-L445 WeakPolarHBondContact O-CG 3.16Å; G441-L445 PolarHBondContact O-N 3.44Å
442T98.4Very high98.3Very high2 Ų222.5 Ų22.51%0.01211%0.105CC..Hα-helixtrans-55.8-42.5172.8-57.30000111.8V2 Y9 N120 V121 Y438 I439 L440 G446V2-T442 HydrophobicContact CG1-CG2 4.42Å; V2-T442 HydrophobicContact CG2-CG2 4.13Å; Y9-T442 HydrophobicContact CE2-CG2 4.33Å; N120-T442 HydrophobicContact CB-CG2 3.68Å; V121-T442 HydrophobicContact CG2-CG2 3.89Å; V121-T442 WeakPolarHBondContact CG2-O 3.35Å; Y438-T442 PolarHBondContact O-N 2.92Å; Y438-T442 PolarHBondContact O-OG1 3.37Å; I439-T442 WeakPolarHBondContact O-CB 3.4Å; I439-T442 PolarHBondContact O-N 2.87Å; L440-T442 PolarHBondContact O-N 2.94Å; T442-G446 PolarHBondContact O-N 3.04Å
443K98.4Very high98.3Very high68 Ų6824.2 Ų24.230%0.29612%0.12SC..Hα-helixtrans-66.9-40.4175.2-65.3-179.6172179.30112.7V2 E3 V386 I439 L440 G441 G446 A447V2-K443 HydrophobicContact CB-CG 4.21Å; V2-K443 HydrophobicContact CG1-CD 4.46Å; V2-K443 HydrophobicContact CG1-CG 3.77Å; V2-K443 HydrophobicContact CG2-CG 4.42Å; E3-K443 VanDerWaalsContact OE1-CE 3.31Å; E3-K443 WeakPolarHBondContact OE1-CE 3.45Å; E3-K443 IonicContact OE1-NZ 3.47Å; E3-K443 PolarHBondContact OE1-NZ 2.73Å; V386-K443 HydrophobicContact CG1-CB 4.1Å; V386-K443 HydrophobicContact CG2-CB 4.08Å; I439-K443 PolarHBondContact O-N 2.52Å; L440-K443 HydrophobicContact CD2-CD 4.11Å; L440-K443 CarbonylContact O-C 3.37Å; L440-K443 WeakPolarHBondContact O-CA 3.3Å; L440-K443 WeakPolarHBondContact O-CB 3.47Å; L440-K443 PolarHBondContact O-N 3.48Å; L440-K443 VanDerWaalsContact O-N 3.08Å; G441-K443 VanDerWaalsContact C-N 3.29Å; G441-K443 PolarHBondContact O-N 3.2Å; K443-G446 PolarHBondContact O-N 3.29Å; K443-A447 WeakPolarHBondContact O-CB 3.24Å; K443-A447 PolarHBondContact O-N 3.39Å
444L98.5Very high97.9Very high0 Ų032.7 Ų32.70%016%0.159CC..Hα-helixtrans-60-48.2178.6162.763.2000110.5A382 M383 V386 Y387 L417 L419 L440 G441 G446 A447 Y448A382-L444 HydrophobicContact CB-CD1 3.78Å; M383-L444 HydrophobicContact CB-CD1 4.26Å; M383-L444 HydrophobicContact CE-CD2 3.68Å; M383-L444 HydrophobicContact CG-CD1 3.48Å; M383-L444 VanDerWaalsContact CG-CD1 3.48Å; M383-L444 HydrophobicContact CG-CD2 3.97Å; M383-L444 HydrophobicContact CG-CG 4.39Å; V386-L444 HydrophobicContact CG1-CB 4.46Å; V386-L444 HydrophobicContact CG2-CB 4.37Å; Y387-L444 HydrophobicContact CE2-CB 4.28Å; Y387-L444 HydrophobicContact CE2-CD2 4.02Å; L417-L444 HydrophobicContact CD1-CD2 4.44Å; L417-L444 HydrophobicContact CD2-CD1 4.22Å; L417-L444 HydrophobicContact CD2-CD2 4.15Å; L417-L444 HydrophobicContact CD2-CG 3.98Å; L417-L444 HydrophobicContact CG-CD2 4.09Å; L417-L444 HydrophobicContact CG-CG 4.45Å; L419-L444 HydrophobicContact CD2-CD2 3.7Å; L440-L444 WeakPolarHBondContact O-CB 3.39Å; L440-L444 PolarHBondContact O-N 2.93Å; G441-L444 WeakPolarHBondContact O-CB 3.44Å; G441-L444 PolarHBondContact O-N 3.28Å; L444-G446 VanDerWaalsContact C-N 3.33Å; L444-G446 PolarHBondContact O-N 3.39Å; L444-A447 PolarHBondContact O-N 3.47Å; L444-Y448 WeakPolarHBondContact O-CB 3.42Å; L444-Y448 PolarHBondContact O-N 2.98Å
445L98.5Very high97.9Very high0 Ų033.2 Ų33.20%016%0.161CC..Hα-helixtrans-57.8-46.4176.5-64.3-176000111A117 W118 V121 C172 L417 L419 G441 Y448 L449A117-L445 HydrophobicContact CB-CD1 3.82Å; W118-L445 HydrophobicContact CD2-CD1 3.7Å; W118-L445 HydrophobicContact CD2-CG 4.46Å; W118-L445 HydrophobicContact CE3-CB 4.34Å; W118-L445 HydrophobicContact CE3-CD1 4.22Å; W118-L445 HydrophobicContact CG-CD1 3.81Å; W118-L445 HydrophobicContact CH2-CB 4.27Å; W118-L445 HydrophobicContact CH2-CD2 4.16Å; W118-L445 HydrophobicContact CZ2-CB 4.48Å; W118-L445 HydrophobicContact CZ2-CD1 4.35Å; W118-L445 HydrophobicContact CZ2-CD2 3.63Å; W118-L445 HydrophobicContact CZ2-CG 4.34Å; W118-L445 HydrophobicContact CZ3-CB 4.18Å; V121-L445 HydrophobicContact CG2-CB 3.71Å; V121-L445 HydrophobicContact CG2-CD1 4.46Å; C172-L445 VanDerWaalsContact SG-CD2 3.54Å; L417-L445 HydrophobicContact CD2-CD2 3.99Å; L419-L445 HydrophobicContact CD1-CD1 4.11Å; L419-L445 HydrophobicContact CD1-CD2 4.45Å; L419-L445 HydrophobicContact CD1-CG 4.3Å; L419-L445 HydrophobicContact CD2-CD2 4.28Å; G441-L445 VanDerWaalsContact O-CG 3.31Å; G441-L445 WeakPolarHBondContact O-CG 3.16Å; G441-L445 PolarHBondContact O-N 3.44Å; L445-Y448 PolarHBondContact O-N 3.02Å; L445-L449 WeakPolarHBondContact O-CG 3.27Å; L445-L449 PolarHBondContact O-N 3.35Å
446G97.9Very high97.9Very high11 Ų1131.4 Ų31.411%0.11316%0.155CC..Hα-helixtrans-61-44.3174.600000113.6T442 K443 L444 L449 F450T442-G446 PolarHBondContact O-N 3.04Å; K443-G446 PolarHBondContact O-N 3.29Å; L444-G446 VanDerWaalsContact C-N 3.33Å; L444-G446 PolarHBondContact O-N 3.39Å; G446-L449 PolarHBondContact O-N 2.96Å; G446-F450 VanDerWaalsContact O-CD2 3.25Å; G446-F450 WeakPolarHBondContact O-CD2 3.38Å; G446-F450 PolarHBondContact O-N 2.89Å
447A98.3Very high97.9Very high17 Ų1727.2 Ų27.214%0.1414%0.141CC..Hα-helixtrans-63.8-40.4177.100000112.1A382 V386 K443 L444 L449 F450 E451A382-A447 HydrophobicContact CB-CB 4.01Å; V386-A447 HydrophobicContact CG2-CB 4.06Å; K443-A447 WeakPolarHBondContact O-CB 3.24Å; K443-A447 PolarHBondContact O-N 3.39Å; L444-A447 PolarHBondContact O-N 3.47Å; A447-L449 VanDerWaalsContact C-N 3.29Å; A447-L449 PolarHBondContact O-N 3.39Å; A447-F450 PolarHBondContact O-N 3.16Å; A447-F450 VanDerWaalsContact O-N 3.11Å; A447-E451 WeakPolarHBondContact O-CG 3.45Å; A447-E451 PolarHBondContact O-N 3.15Å
448Y98.6Very high97.9Very high0 Ų028.8 Ų28.80%015%0.149CC..Hα-helixtrans-58.2-40.7175.6162.3-108.6000111.9V72 W118 C170 N375 A378 M415 L417 L444 L445 F450 E451 I452V72-Y448 HydrophobicContact CG1-CE1 4.09Å; W118-Y448 HydrophobicContact CH2-CD1 4.11Å; W118-Y448 HydrophobicContact CH2-CE1 4.32Å; C170-Y448 HydrophobicContact CB-CE1 4Å; N375-Y448 PolarHBondContact OD1-OH 3.23Å; A378-Y448 HydrophobicContact CB-CD2 4.15Å; A378-Y448 HydrophobicContact CB-CE2 4.18Å; M415-Y448 HydrophobicContact CE-CD2 3.9Å; M415-Y448 HydrophobicContact CE-CE2 3.48Å; M415-Y448 VanDerWaalsContact CE-CE2 3.48Å; L417-Y448 HydrophobicContact CD2-CG 4.37Å; L444-Y448 WeakPolarHBondContact O-CB 3.42Å; L444-Y448 PolarHBondContact O-N 2.98Å; L445-Y448 PolarHBondContact O-N 3.02Å; Y448-F450 VanDerWaalsContact C-N 3.29Å; Y448-F450 PolarHBondContact O-N 2.85Å; Y448-E451 PolarHBondContact O-N 2.97Å; Y448-I452 HydrophobicContact CD2-CB 4.44Å; Y448-I452 HydrophobicContact CE2-CB 3.97Å; Y448-I452 HydrophobicContact CE2-CD1 4.49Å; Y448-I452 HydrophobicContact CE2-CG1 4.2Å; Y448-I452 HydrophobicContact CE2-CG2 4.39Å; Y448-I452 WeakPolarHBondContact O-CB 3.42Å; Y448-I452 VanDerWaalsContact O-CG2 3.29Å; Y448-I452 WeakPolarHBondContact O-CG2 3.47Å; Y448-I452 PolarHBondContact O-N 3.12Å
449L98.5Very high97.8Very high0 Ų030.6 Ų30.60%016%0.158CC..Hα-helixtrans-62.1-34.9176.3-61.5-173.1000113.1W118 V121 F125 L132 P133 V134 L136 L445 G446 A447 A453W118-L449 HydrophobicContact CH2-CD2 4Å; W118-L449 HydrophobicContact CZ3-CD1 4.18Å; W118-L449 HydrophobicContact CZ3-CD2 3.89Å; W118-L449 HydrophobicContact CZ3-CG 4.17Å; V121-L449 HydrophobicContact CG1-CD1 4.18Å; F125-L449 HydrophobicContact CE2-CD1 4.15Å; L132-L449 HydrophobicContact CD2-CD1 4.14Å; P133-L449 HydrophobicContact CG-CB 3.93Å; P133-L449 WeakPolarHBondContact CG-O 3.11Å; V134-L449 HydrophobicContact CG2-CB 4.36Å; V134-L449 HydrophobicContact CG2-CD2 3.84Å; V134-L449 HydrophobicContact CG2-CG 4.46Å; L136-L449 HydrophobicContact CD1-CD1 4.04Å; L136-L449 HydrophobicContact CD2-CD2 3.9Å; L445-L449 WeakPolarHBondContact O-CG 3.27Å; L445-L449 PolarHBondContact O-N 3.35Å; G446-L449 PolarHBondContact O-N 2.96Å; A447-L449 VanDerWaalsContact C-N 3.29Å; A447-L449 PolarHBondContact O-N 3.39Å; L449-A453 WeakPolarHBondContact O-CB 3.5Å
450F98.1Very high97.8Very high95 Ų9532 Ų3242%0.41717%0.166SC..Hα-helixtrans-69.9-47.2173.4-73.9-75.1000111.4F125 I130 P133 G446 A447 Y448 I452 A453 E454F125-F450 HydrophobicContact CE1-CE1 4.43Å; F125-F450 AromaticContact CE1-CE2 3.84Å; F125-F450 HydrophobicContact CE1-CE2 3.84Å; F125-F450 AromaticContact CE1-CZ 3.57Å; F125-F450 HydrophobicContact CE1-CZ 3.57Å; F125-F450 HydrophobicContact CZ-CD2 4.33Å; F125-F450 AromaticContact CZ-CE2 3.54Å; F125-F450 HydrophobicContact CZ-CE2 3.54Å; F125-F450 AromaticContact CZ-CZ 3.79Å; F125-F450 HydrophobicContact CZ-CZ 3.79Å; I130-F450 HydrophobicContact CG2-CZ 3.97Å; P133-F450 HydrophobicContact CB-CD1 4.15Å; P133-F450 HydrophobicContact CB-CE1 4.43Å; P133-F450 HydrophobicContact CG-CD1 3.99Å; P133-F450 HydrophobicContact CG-CE1 4.24Å; P133-F450 HydrophobicContact CG-CG 4.28Å; G446-F450 VanDerWaalsContact O-CD2 3.25Å; G446-F450 WeakPolarHBondContact O-CD2 3.38Å; G446-F450 PolarHBondContact O-N 2.89Å; A447-F450 PolarHBondContact O-N 3.16Å; A447-F450 VanDerWaalsContact O-N 3.11Å; Y448-F450 VanDerWaalsContact C-N 3.29Å; Y448-F450 PolarHBondContact O-N 2.85Å; F450-I452 VanDerWaalsContact C-N 3.34Å; F450-I452 PolarHBondContact O-N 3.13Å; F450-A453 PolarHBondContact O-N 2.96Å; F450-E454 PolarHBondContact O-N 3.42Å
451E98.2Very high97.8Very high34 Ų3431.9 Ų31.916%0.15917%0.165CC..Hα-helixtrans-65.5-33-176.9-67.5-71.4-178.400113.4A378 K381 A382 A447 Y448 A453A378-E451 HydrophobicContact CB-CB 3.82Å; K381-E451 HydrophobicContact CB-CG 3.98Å; K381-E451 WeakPolarHBondContact CD-OE2 3.21Å; K381-E451 IonicContact NZ-OE2 3.1Å; K381-E451 PolarHBondContact NZ-OE2 3.3Å; A382-E451 HydrophobicContact CB-CG 4.22Å; A447-E451 WeakPolarHBondContact O-CG 3.45Å; A447-E451 PolarHBondContact O-N 3.15Å; Y448-E451 PolarHBondContact O-N 2.97Å; E451-A453 VanDerWaalsContact C-N 3.34Å
452I97.9Very high97.7Very high3 Ų334.4 Ų34.42%0.01518%0.178CC..Hα-helixtrans-81.7-15.6179.3-162.357.8000113.1V72 V134 Y168 A378 Y448 F450V72-I452 HydrophobicContact CG2-CG1 4.42Å; V72-I452 HydrophobicContact CG2-CG2 3.89Å; V134-I452 HydrophobicContact CG1-CG2 3.93Å; Y168-I452 HydrophobicContact CD1-CD1 4.18Å; Y168-I452 HydrophobicContact CD2-CD1 3.72Å; Y168-I452 HydrophobicContact CD2-CG1 3.54Å; Y168-I452 HydrophobicContact CE1-CD1 4.12Å; Y168-I452 HydrophobicContact CE2-CD1 3.62Å; Y168-I452 HydrophobicContact CE2-CG1 3.73Å; Y168-I452 HydrophobicContact CG-CD1 3.98Å; Y168-I452 HydrophobicContact CG-CG1 4.09Å; A378-I452 HydrophobicContact CB-CB 3.92Å; A378-I452 HydrophobicContact CB-CD1 3.78Å; A378-I452 HydrophobicContact CB-CG1 4.42Å; Y448-I452 HydrophobicContact CD2-CB 4.44Å; Y448-I452 HydrophobicContact CE2-CB 3.97Å; Y448-I452 HydrophobicContact CE2-CD1 4.49Å; Y448-I452 HydrophobicContact CE2-CG1 4.2Å; Y448-I452 HydrophobicContact CE2-CG2 4.39Å; Y448-I452 WeakPolarHBondContact O-CB 3.42Å; Y448-I452 VanDerWaalsContact O-CG2 3.29Å; Y448-I452 WeakPolarHBondContact O-CG2 3.47Å; Y448-I452 PolarHBondContact O-N 3.12Å; F450-I452 VanDerWaalsContact C-N 3.34Å; F450-I452 PolarHBondContact O-N 3.13Å
453A97.4Very high97.7Very high40 Ų4037.1 Ų37.133%0.33119%0.192SC..Hα-helixtrans-81-24.1174.700000112.9P133 V134 L449 F450 E451P133-A453 HydrophobicContact CB-CB 3.73Å; V134-A453 HydrophobicContact CG1-CB 3.84Å; L449-A453 WeakPolarHBondContact O-CB 3.5Å; F450-A453 PolarHBondContact O-N 2.96Å; E451-A453 VanDerWaalsContact C-N 3.34Å
454E91.9Very high97.6Very high177 Ų17734.3 Ų34.383%0.82718%0.182SC*.  trans-72.30172.7-63.2-170.516900112.6K381 F450K381-E454 IonicContact NZ-OE2 3.37Å; F450-E454 PolarHBondContact O-N 3.42Å

Retrieved 454 of 454 residues in 506.6 ms (Link to these results)

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