A0A077ZL76_TRITR Loading...

SBP bac 3 and BPD transp 1 domain containing prot ein

AlphaFold DB , UniProt , Accession A0A077ZL76, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 405 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
1M66.4Low91.6Very high202 Ų20267.5 Ų67.5100%0.99534%0.338SS*.  0105.90-68-173-87.700108.8L4M1-L4 HydrophobicContact CB-CB 4.25Å; M1-L4 HydrophobicContact CB-CD2 4.42Å; M1-L4 HydrophobicContact CE-CD2 3.87Å
2K85Confident92.1Very high161 Ų16168.9 Ų68.970%0.735%0.352SS*.THydrogen-bonded Turntrans-66.9149.8177.1-66.5-177.31791790109.7L4 Y168K2-L4 PolarHBondContact O-N 3.46Å; K2-L4 VanDerWaalsContact O-N 3.16Å; K2-Y168 HydrophobicContact CB-CD1 3.71Å; K2-Y168 HydrophobicContact CB-CD2 3.84Å; K2-Y168 HydrophobicContact CB-CE1 3.81Å; K2-Y168 HydrophobicContact CB-CE2 3.94Å; K2-Y168 HydrophobicContact CB-CG 3.73Å; K2-Y168 HydrophobicContact CD-CD1 4.01Å; K2-Y168 HydrophobicContact CD-CE1 3.74Å; K2-Y168 HydrophobicContact CG-CE1 4.37Å
3G89.2Confident92.6Very high8 Ų865.6 Ų65.68%0.08234%0.342CS..THydrogen-bonded Turntrans80.5-21.6179.100000116.1H5 T6 S7G3-H5 VanDerWaalsContact C-N 3.32Å; G3-H5 PolarHBondContact O-N 3.39Å; G3-T6 WeakPolarHBondContact O-CA 3.3Å; G3-T6 WeakPolarHBondContact O-CB 3.31Å; G3-T6 PolarHBondContact O-N 3.39Å; G3-S7 PolarHBondContact O-N 2.88Å; G3-S7 PolarHBondContact O-OG 3.12Å
4L92.6Very high93Very high55 Ų5560.9 Ų60.929%0.28832%0.317SS..Hα-helixtrans-58.5-42.7-179.3-179.862.4000112.8M1 K2 T6 S7 L8 V165M1-L4 HydrophobicContact CB-CB 4.25Å; M1-L4 HydrophobicContact CB-CD2 4.42Å; M1-L4 HydrophobicContact CE-CD2 3.87Å; K2-L4 PolarHBondContact O-N 3.46Å; K2-L4 VanDerWaalsContact O-N 3.16Å; L4-T6 VanDerWaalsContact C-N 3.3Å; L4-T6 PolarHBondContact O-N 3.11Å; L4-S7 PolarHBondContact O-N 3.35Å; L4-L8 HydrophobicContact CD1-CD1 3.95Å; L4-L8 HydrophobicContact CD1-CG 4Å; L4-L8 HydrophobicContact CD2-CD1 4.49Å; L4-L8 HydrophobicContact CG-CD1 3.87Å; L4-L8 HydrophobicContact CG-CG 4.32Å; L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 WeakPolarHBondContact O-CG 3.47Å; L4-L8 PolarHBondContact O-N 3.37Å; L4-V165 VanDerWaalsContact CA-CG2 3.44Å; L4-V165 HydrophobicContact CB-CG2 4.03Å; L4-V165 HydrophobicContact CD1-CG2 4.2Å
5H94.9Very high93.3Very high145 Ų14558.2 Ų58.267%0.67130%0.303SS*.Hα-helixtrans-58.2-43.8175.1177-89.9000111.5G3 L8 T9G3-H5 VanDerWaalsContact C-N 3.32Å; G3-H5 PolarHBondContact O-N 3.39Å; H5-L8 PolarHBondContact O-N 3.26Å; H5-T9 WeakPolarHBondContact O-CB 3.27Å; H5-T9 VanDerWaalsContact O-CG2 3.31Å; H5-T9 WeakPolarHBondContact O-CG2 3.5Å; H5-T9 PolarHBondContact O-N 3.05Å; H5-T9 PolarHBondContact O-OG1 3.17Å
6T94.6Very high93.6Very high32 Ų3260.7 Ų60.720%0.19632%0.316CS..Hα-helixtrans-62.8-48.9177.7-47.50000111.3G3 L4 L8 T9 L10 L162 E164G3-T6 WeakPolarHBondContact O-CA 3.3Å; G3-T6 WeakPolarHBondContact O-CB 3.31Å; G3-T6 PolarHBondContact O-N 3.39Å; L4-T6 VanDerWaalsContact C-N 3.3Å; L4-T6 PolarHBondContact O-N 3.11Å; T6-L8 PolarHBondContact O-N 3.2Å; T6-T9 PolarHBondContact O-OG1 2.89Å; T6-T9 VanDerWaalsContact O-OG1 3.1Å; T6-L10 WeakPolarHBondContact O-CB 3.17Å; T6-L10 PolarHBondContact O-N 3.32Å; T6-L162 HydrophobicContact CG2-CD1 4.15Å; T6-L162 HydrophobicContact CG2-CD2 4.2Å; T6-L162 HydrophobicContact CG2-CG 4.1Å; T6-E164 HydrophobicContact CG2-CB 4.28Å
7S96Very high93.9Very high1 Ų160.4 Ų60.41%0.00732%0.317CS..Hα-helixtrans-59.5-44.8177.6-55.30000111.8G3 L4 T11 E164 V165G3-S7 PolarHBondContact O-N 2.88Å; G3-S7 PolarHBondContact O-OG 3.12Å; L4-S7 PolarHBondContact O-N 3.35Å; S7-T11 VanDerWaalsContact O-CB 3.31Å; S7-T11 WeakPolarHBondContact O-CB 3.44Å; S7-T11 PolarHBondContact O-N 3.18Å; S7-T11 PolarHBondContact O-OG1 3.01Å; S7-E164 WeakPolarHBondContact OG-CB 3.44Å; S7-E164 PolarHBondContact OG-OE2 2.97Å; S7-V165 WeakPolarHBondContact OG-CG2 3.36Å; S7-V165 PolarHBondContact OG-N 3.02Å
8L96.5Very high94.1Very high81 Ų8157.1 Ų57.142%0.42430%0.3SS..Hα-helixtrans-68.6-47.4-178.3-71.9175.4000112.4L4 H5 T6 L10 T11 V12 F151L4-L8 HydrophobicContact CD1-CD1 3.95Å; L4-L8 HydrophobicContact CD1-CG 4Å; L4-L8 HydrophobicContact CD2-CD1 4.49Å; L4-L8 HydrophobicContact CG-CD1 3.87Å; L4-L8 HydrophobicContact CG-CG 4.32Å; L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 WeakPolarHBondContact O-CG 3.47Å; L4-L8 PolarHBondContact O-N 3.37Å; H5-L8 PolarHBondContact O-N 3.26Å; T6-L8 PolarHBondContact O-N 3.2Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 2.98Å; L8-T11 PolarHBondContact O-N 3.27Å; L8-V12 WeakPolarHBondContact O-CG2 3.47Å; L8-V12 PolarHBondContact O-N 3.48Å; L8-F151 HydrophobicContact CD2-CE2 3.99Å
9T97.1Very high94.3Very high47 Ų4757.3 Ų57.329%0.28830%0.301SS..Hα-helixtrans-62.3-42.7178500000111.4H5 T6 V12 A13H5-T9 WeakPolarHBondContact O-CB 3.27Å; H5-T9 VanDerWaalsContact O-CG2 3.31Å; H5-T9 WeakPolarHBondContact O-CG2 3.5Å; H5-T9 PolarHBondContact O-N 3.05Å; H5-T9 PolarHBondContact O-OG1 3.17Å; T6-T9 PolarHBondContact O-OG1 2.89Å; T6-T9 VanDerWaalsContact O-OG1 3.1Å; T9-V12 PolarHBondContact O-N 2.8Å; T9-A13 WeakPolarHBondContact O-CB 3.3Å; T9-A13 PolarHBondContact O-N 3.12Å
10L97.3Very high94.4Very high0 Ų059.1 Ų59.10%031%0.31CS..Hα-helixtrans-63.1-42.7176.2-172.762.6000111.7T6 L8 S14 A86 L87 L90 T154 A157 L162T6-L10 WeakPolarHBondContact O-CB 3.17Å; T6-L10 PolarHBondContact O-N 3.32Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 2.98Å; L10-S14 WeakPolarHBondContact O-CB 3.37Å; L10-S14 PolarHBondContact O-N 3.19Å; L10-S14 PolarHBondContact O-OG 3.45Å; L10-A86 HydrophobicContact CD1-CB 4.11Å; L10-A86 HydrophobicContact CD2-CB 3.94Å; L10-L87 HydrophobicContact CD1-CB 3.81Å; L10-L90 HydrophobicContact CD1-CD1 4.1Å; L10-L90 HydrophobicContact CD2-CD1 3.59Å; L10-L90 HydrophobicContact CG-CD1 3.59Å; L10-T154 HydrophobicContact CB-CG2 4.33Å; L10-T154 HydrophobicContact CD2-CG2 4.02Å; L10-T154 HydrophobicContact CG-CG2 4.19Å; L10-A157 HydrophobicContact CD2-CB 4.29Å; L10-L162 HydrophobicContact CD2-CD2 4.08Å
11T97.9Very high94.6Very high10 Ų1058.4 Ų58.46%0.06131%0.306CS..Hα-helixtrans-61.9-53.1177-59.80000111.2S7 L8 S14 L15 V150 F151 T154S7-T11 VanDerWaalsContact O-CB 3.31Å; S7-T11 WeakPolarHBondContact O-CB 3.44Å; S7-T11 PolarHBondContact O-N 3.18Å; S7-T11 PolarHBondContact O-OG1 3.01Å; L8-T11 PolarHBondContact O-N 3.27Å; T11-S14 PolarHBondContact O-N 3.19Å; T11-L15 HydrophobicContact CG2-CD1 3.77Å; T11-L15 WeakPolarHBondContact O-CB 3.44Å; T11-L15 VanDerWaalsContact O-CG 3.24Å; T11-L15 WeakPolarHBondContact O-CG 3.43Å; T11-L15 PolarHBondContact O-N 3.39Å; T11-V150 HydrophobicContact CG2-CG1 4.28Å; T11-F151 HydrophobicContact CG2-CB 4.01Å; T11-F151 HydrophobicContact CG2-CD2 4.26Å; T11-F151 WeakPolarHBondContact OG1-CD2 3.5Å; T11-T154 VanDerWaalsContact OG1-CG2 3.26Å; T11-T154 WeakPolarHBondContact OG1-CG2 3.38Å
12V98Very high96Very high85 Ų8548.8 Ų48.852%0.51526%0.259SS..Hα-helixtrans-63.8-46.8-177.1172.80000110.9L8 T9 S14 L15 I16L8-V12 WeakPolarHBondContact O-CG2 3.47Å; L8-V12 PolarHBondContact O-N 3.48Å; T9-V12 PolarHBondContact O-N 2.8Å; V12-S14 PolarHBondContact O-N 3.46Å; V12-L15 PolarHBondContact O-N 3.2Å; V12-I16 HydrophobicContact CG1-CD1 3.89Å; V12-I16 VanDerWaalsContact O-CG1 3.32Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 3.45Å
13A98Very high96.5Very high26 Ų2643.9 Ų43.922%0.21524%0.24CC..Hα-helixtrans-63.2-43.6179.500000111.6T9 L15 I16 V17 W83 L87T9-A13 WeakPolarHBondContact O-CB 3.3Å; T9-A13 PolarHBondContact O-N 3.12Å; A13-L15 VanDerWaalsContact C-N 3.35Å; A13-L15 PolarHBondContact O-N 3.03Å; A13-I16 PolarHBondContact O-N 3.08Å; A13-V17 WeakPolarHBondContact O-CG2 3.37Å; A13-V17 PolarHBondContact O-N 3.11Å; A13-V17 VanDerWaalsContact O-N 3.14Å; A13-W83 HydrophobicContact CB-CH2 4.31Å; A13-W83 HydrophobicContact CB-CZ2 4.45Å; A13-L87 HydrophobicContact CB-CD1 3.6Å
14S98.2Very high96.7Very high0 Ų047.4 Ų47.40%026%0.256CS..Hα-helixtrans-64.1-40.1178.4-56.40000111.9L10 T11 V12 V17 A18 L90 S91L10-S14 WeakPolarHBondContact O-CB 3.37Å; L10-S14 PolarHBondContact O-N 3.19Å; L10-S14 PolarHBondContact O-OG 3.45Å; T11-S14 PolarHBondContact O-N 3.19Å; V12-S14 PolarHBondContact O-N 3.46Å; S14-V17 PolarHBondContact O-N 3.15Å; S14-A18 WeakPolarHBondContact O-CB 3.32Å; S14-A18 PolarHBondContact O-N 3.49Å; S14-L90 WeakPolarHBondContact OG-CB 3.12Å; S14-S91 WeakPolarHBondContact CA-OG 3.14Å
15L98Very high96.9Very high20 Ų2046.4 Ų46.411%0.10525%0.249CC..Hα-helixtrans-67.1-37.8177.8-73.5169.1000112.8T11 V12 A13 L19 V147 V150T11-L15 HydrophobicContact CG2-CD1 3.77Å; T11-L15 WeakPolarHBondContact O-CB 3.44Å; T11-L15 VanDerWaalsContact O-CG 3.24Å; T11-L15 WeakPolarHBondContact O-CG 3.43Å; T11-L15 PolarHBondContact O-N 3.39Å; V12-L15 PolarHBondContact O-N 3.2Å; A13-L15 VanDerWaalsContact C-N 3.35Å; A13-L15 PolarHBondContact O-N 3.03Å; L15-L19 WeakPolarHBondContact O-CB 3.38Å; L15-L19 PolarHBondContact O-N 3.24Å; L15-V147 HydrophobicContact CD1-CB 4.22Å; L15-V147 HydrophobicContact CD1-CG1 3.77Å; L15-V147 HydrophobicContact CD1-CG2 3.99Å; L15-V147 HydrophobicContact CD2-CB 4.49Å; L15-V147 HydrophobicContact CD2-CG2 3.94Å; L15-V150 HydrophobicContact CD2-CB 4.12Å; L15-V150 HydrophobicContact CD2-CG1 4.35Å; L15-V150 HydrophobicContact CD2-CG2 3.87Å; L15-V150 HydrophobicContact CG-CB 4.43Å; L15-V150 HydrophobicContact CG-CG1 4.22Å
16I98.3Very high96.9Very high98 Ų9839.5 Ų39.550%0.50322%0.218SC..Hα-helixtrans-63-49.8176.3-69.5166.3000110V12 A13 L19 I20V12-I16 HydrophobicContact CG1-CD1 3.89Å; V12-I16 VanDerWaalsContact O-CG1 3.32Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 3.45Å; A13-I16 PolarHBondContact O-N 3.08Å; I16-L19 PolarHBondContact O-N 3.38Å; I16-I20 HydrophobicContact CG2-CD1 4.05Å; I16-I20 WeakPolarHBondContact O-CG1 3.43Å; I16-I20 PolarHBondContact O-N 2.93Å; I16-I20 VanDerWaalsContact O-N 3.12Å
17V98.2Very high96.7Very high56 Ų5641.2 Ų41.234%0.33923%0.225SC..Hα-helixtrans-64.1-45.3179177.70000110.5A13 S14 L19 I20 L21A13-V17 WeakPolarHBondContact O-CG2 3.37Å; A13-V17 PolarHBondContact O-N 3.11Å; A13-V17 VanDerWaalsContact O-N 3.14Å; S14-V17 PolarHBondContact O-N 3.15Å; V17-L19 VanDerWaalsContact C-N 3.34Å; V17-L19 PolarHBondContact O-N 2.59Å; V17-I20 PolarHBondContact O-N 3.08Å; V17-L21 HydrophobicContact CG1-CD1 4.01Å; V17-L21 HydrophobicContact CG1-CG 4.42Å; V17-L21 WeakPolarHBondContact O-CG 3.17Å; V17-L21 PolarHBondContact O-N 3.22Å
18A98.2Very high96.6Very high1 Ų142.2 Ų42.21%0.00823%0.23CC..Hα-helixtrans-59.8-43.4178.700000112.1S14 L21 A22 A95S14-A18 WeakPolarHBondContact O-CB 3.32Å; S14-A18 PolarHBondContact O-N 3.49Å; A18-L21 PolarHBondContact O-N 3.38Å; A18-A22 WeakPolarHBondContact O-CB 3.22Å; A18-A22 PolarHBondContact O-N 3.24Å; A18-A95 HydrophobicContact CB-CB 4.3Å
19L96.6Very high96.4Very high60 Ų6038.6 Ų38.631%0.31421%0.211SC..Hα-helixtrans-63.6-45.8179-17861.8000111.4L15 I16 V17 A22 L23 F102 Y143L15-L19 WeakPolarHBondContact O-CB 3.38Å; L15-L19 PolarHBondContact O-N 3.24Å; I16-L19 PolarHBondContact O-N 3.38Å; V17-L19 VanDerWaalsContact C-N 3.34Å; V17-L19 PolarHBondContact O-N 2.59Å; L19-A22 PolarHBondContact O-N 3.49Å; L19-L23 HydrophobicContact CD1-CD1 4.46Å; L19-L23 HydrophobicContact CD1-CG 4.36Å; L19-L23 HydrophobicContact CG-CD1 4.28Å; L19-L23 WeakPolarHBondContact O-CB 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 2.97Å; L19-F102 HydrophobicContact CD1-CE2 3.72Å; L19-F102 HydrophobicContact CD1-CZ 3.93Å; L19-Y143 HydrophobicContact CD1-CE2 4.45Å
20I97.6Very high96.1Very high94 Ų9437.5 Ų37.548%0.48220%0.204SC..Hα-helixtrans-60.2-49.4177.9-67.1166000110.5I16 V17 A22 L23 I24I16-I20 HydrophobicContact CG2-CD1 4.05Å; I16-I20 WeakPolarHBondContact O-CG1 3.43Å; I16-I20 PolarHBondContact O-N 2.93Å; I16-I20 VanDerWaalsContact O-N 3.12Å; V17-I20 PolarHBondContact O-N 3.08Å; I20-A22 VanDerWaalsContact C-N 3.35Å; I20-A22 PolarHBondContact O-N 3.4Å; I20-L23 PolarHBondContact O-N 3.4Å; I20-I24 HydrophobicContact CG2-CD1 4.06Å; I20-I24 WeakPolarHBondContact O-CG1 3.23Å; I20-I24 PolarHBondContact O-N 2.95Å; I20-I24 VanDerWaalsContact O-N 3.16Å
21L98Very high95.7Very high44 Ų4440.3 Ų40.323%0.2322%0.219CC..Hα-helixtrans-61.3-43.9177.9-69.9177.9000111.5V17 A18 L23 I24 F25 L92 A95V17-L21 HydrophobicContact CG1-CD1 4.01Å; V17-L21 HydrophobicContact CG1-CG 4.42Å; V17-L21 WeakPolarHBondContact O-CG 3.17Å; V17-L21 PolarHBondContact O-N 3.22Å; A18-L21 PolarHBondContact O-N 3.38Å; L21-L23 PolarHBondContact O-N 2.92Å; L21-I24 PolarHBondContact O-N 3.35Å; L21-F25 HydrophobicContact CB-CD2 4.43Å; L21-F25 HydrophobicContact CB-CE2 4.03Å; L21-F25 HydrophobicContact CB-CZ 4.49Å; L21-F25 HydrophobicContact CD2-CZ 4.38Å; L21-F25 WeakPolarHBondContact O-CB 3.34Å; L21-F25 WeakPolarHBondContact O-CD2 3.02Å; L21-F25 WeakPolarHBondContact O-CG 3.41Å; L21-F25 PolarHBondContact O-N 3Å; L21-L92 HydrophobicContact CD1-CD2 4.06Å; L21-A95 HydrophobicContact CB-CB 3.74Å; L21-A95 HydrophobicContact CD1-CB 4.2Å
22A96.9Very high95.2Very high0 Ų047.5 Ų47.50%025%0.249CC..Hα-helixtrans-65.2-37.4-179.100000112.9A18 L19 I20 T26 T98 T99 F102A18-A22 WeakPolarHBondContact O-CB 3.22Å; A18-A22 PolarHBondContact O-N 3.24Å; L19-A22 PolarHBondContact O-N 3.49Å; I20-A22 VanDerWaalsContact C-N 3.35Å; I20-A22 PolarHBondContact O-N 3.4Å; A22-T26 WeakPolarHBondContact O-CB 3.13Å; A22-T26 PolarHBondContact O-N 2.85Å; A22-T26 PolarHBondContact O-OG1 3.43Å; A22-T98 HydrophobicContact CB-CG2 3.49Å; A22-T98 VanDerWaalsContact CB-CG2 3.49Å; A22-T99 WeakPolarHBondContact CA-OG1 3.39Å; A22-F102 HydrophobicContact CB-CD2 4.45Å
23L94.1Very high94.8Very high58 Ų5845.8 Ų45.830%0.30424%0.239SC..Hα-helixtrans-62.7-46.7173.6-70.6173.7000111L19 I20 L21 T26 I27 F102 F136L19-L23 HydrophobicContact CD1-CD1 4.46Å; L19-L23 HydrophobicContact CD1-CG 4.36Å; L19-L23 HydrophobicContact CG-CD1 4.28Å; L19-L23 WeakPolarHBondContact O-CB 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 2.97Å; I20-L23 PolarHBondContact O-N 3.4Å; L21-L23 PolarHBondContact O-N 2.92Å; L23-T26 PolarHBondContact O-N 2.84Å; L23-I27 VanDerWaalsContact O-CG1 3.28Å; L23-I27 WeakPolarHBondContact O-CG1 3.4Å; L23-I27 PolarHBondContact O-N 3.45Å; L23-F102 HydrophobicContact CD2-CD2 4.35Å; L23-F102 HydrophobicContact CD2-CE2 4.16Å; L23-F136 HydrophobicContact CD2-CE1 3.73Å; L23-F136 HydrophobicContact CD2-CE2 3.66Å; L23-F136 HydrophobicContact CD2-CZ 3.12Å
24I94.9Very high94.2Very high83 Ų8350 Ų5043%0.42626%0.264SS..Hα-helixtrans-60.2-51.5177.8-67.1166.7000110.3I20 L21 T26 I27 I28I20-I24 HydrophobicContact CG2-CD1 4.06Å; I20-I24 WeakPolarHBondContact O-CG1 3.23Å; I20-I24 PolarHBondContact O-N 2.95Å; I20-I24 VanDerWaalsContact O-N 3.16Å; L21-I24 PolarHBondContact O-N 3.35Å; I24-T26 VanDerWaalsContact C-N 3.33Å; I24-T26 PolarHBondContact O-N 3.44Å; I24-I27 PolarHBondContact O-N 3.17Å; I24-I28 HydrophobicContact CG2-CD1 3.7Å; I24-I28 HydrophobicContact CG2-CG1 4.47Å; I24-I28 VanDerWaalsContact O-CG1 3.25Å; I24-I28 WeakPolarHBondContact O-CG1 3.43Å; I24-I28 PolarHBondContact O-N 3Å
25F96.3Very high94Very high33 Ų3355.1 Ų55.115%0.14530%0.295CS..Hα-helixtrans-63.6-38.6-179.5-64.5-24.1000112.5L21 I27 I28 L29 V40 Y43 T99L21-F25 HydrophobicContact CB-CD2 4.43Å; L21-F25 HydrophobicContact CB-CE2 4.03Å; L21-F25 HydrophobicContact CB-CZ 4.49Å; L21-F25 HydrophobicContact CD2-CZ 4.38Å; L21-F25 WeakPolarHBondContact O-CB 3.34Å; L21-F25 WeakPolarHBondContact O-CD2 3.02Å; L21-F25 WeakPolarHBondContact O-CG 3.41Å; L21-F25 PolarHBondContact O-N 3Å; F25-I27 PolarHBondContact O-N 3.45Å; F25-I28 HydrophobicContact CD1-CD1 4.37Å; F25-I28 PolarHBondContact O-N 3.38Å; F25-L29 WeakPolarHBondContact O-CB 3.26Å; F25-L29 VanDerWaalsContact O-CG 3.3Å; F25-L29 WeakPolarHBondContact O-CG 3.47Å; F25-L29 PolarHBondContact O-N 3.22Å; F25-V40 HydrophobicContact CB-CG1 3.73Å; F25-V40 HydrophobicContact CB-CG2 4.4Å; F25-V40 HydrophobicContact CD1-CG1 4.23Å; F25-V40 HydrophobicContact CD1-CG2 3.56Å; F25-V40 HydrophobicContact CE1-CG2 4.13Å; F25-V40 HydrophobicContact CG-CG1 3.99Å; F25-V40 HydrophobicContact CG-CG2 4.17Å; F25-Y43 HydrophobicContact CD2-CD1 4.15Å; F25-Y43 AromaticContact CD2-CE1 3.89Å; F25-Y43 HydrophobicContact CD2-CE1 3.89Å; F25-Y43 AromaticContact CE2-CD1 3.71Å; F25-Y43 HydrophobicContact CE2-CD1 3.71Å; F25-Y43 AromaticContact CE2-CE1 3.35Å; F25-Y43 HydrophobicContact CE2-CE1 3.35Å; F25-Y43 HydrophobicContact CE2-CE2 4.36Å; F25-Y43 HydrophobicContact CE2-CG 4.39Å; F25-Y43 AromaticContact CE2-CZ 3.7Å; F25-Y43 HydrophobicContact CZ-CD1 4.29Å; F25-Y43 HydrophobicContact CZ-CE1 4.22Å; F25-T99 HydrophobicContact CB-CG2 3.59Å; F25-T99 WeakPolarHBondContact CB-OG1 3.32Å
26T93.9Very high93.8Very high1 Ų158 Ų581%0.00631%0.31CS..Hα-helixtrans-62.3-44.1175.9-62.70000111.2A22 L23 I24 L29 T30 F102 I106A22-T26 WeakPolarHBondContact O-CB 3.13Å; A22-T26 PolarHBondContact O-N 2.85Å; A22-T26 PolarHBondContact O-OG1 3.43Å; L23-T26 PolarHBondContact O-N 2.84Å; I24-T26 VanDerWaalsContact C-N 3.33Å; I24-T26 PolarHBondContact O-N 3.44Å; T26-L29 PolarHBondContact O-N 2.94Å; T26-T30 WeakPolarHBondContact O-CB 3.2Å; T26-T30 PolarHBondContact O-N 3.47Å; T26-T30 PolarHBondContact O-OG1 3.44Å; T26-F102 HydrophobicContact CG2-CB 3.93Å; T26-F102 WeakPolarHBondContact OG1-CB 3.49Å; T26-I106 HydrophobicContact CG2-CD1 3.27Å
27I91.3Very high93.7Very high68 Ų6854.1 Ų54.135%0.34929%0.291SS..Hα-helixtrans-63.5-43.8176.9-69.6166000110.4L23 I24 F25 L29 T30 L31L23-I27 VanDerWaalsContact O-CG1 3.28Å; L23-I27 WeakPolarHBondContact O-CG1 3.4Å; L23-I27 PolarHBondContact O-N 3.45Å; I24-I27 PolarHBondContact O-N 3.17Å; F25-I27 PolarHBondContact O-N 3.45Å; I27-L29 PolarHBondContact O-N 3.37Å; I27-T30 PolarHBondContact O-N 3.31Å; I27-L31 HydrophobicContact CG2-CD1 3.67Å; I27-L31 HydrophobicContact CG2-CG 4.15Å; I27-L31 WeakPolarHBondContact O-CB 3.43Å; I27-L31 WeakPolarHBondContact O-CG 3.22Å; I27-L31 PolarHBondContact O-N 2.97Å
28I93.2Very high93.6Very high21 Ų2160.9 Ų60.911%0.10831%0.311CS..Hα-helixtrans-58.1-48.9177.4-70.7169000111.2I24 F25 T30 L31 K32 L36 V37 V40I24-I28 HydrophobicContact CG2-CD1 3.7Å; I24-I28 HydrophobicContact CG2-CG1 4.47Å; I24-I28 VanDerWaalsContact O-CG1 3.25Å; I24-I28 WeakPolarHBondContact O-CG1 3.43Å; I24-I28 PolarHBondContact O-N 3Å; F25-I28 HydrophobicContact CD1-CD1 4.37Å; F25-I28 PolarHBondContact O-N 3.38Å; I28-T30 VanDerWaalsContact C-N 3.31Å; I28-T30 PolarHBondContact O-N 3.41Å; I28-L31 PolarHBondContact O-N 2.87Å; I28-K32 PolarHBondContact O-N 3.48Å; I28-K32 VanDerWaalsContact O-N 3.15Å; I28-L36 HydrophobicContact CD1-CD2 3.53Å; I28-L36 HydrophobicContact CD1-CG 3.93Å; I28-L36 HydrophobicContact CG1-CD2 3.7Å; I28-L36 HydrophobicContact CG1-CG 4.35Å; I28-L36 HydrophobicContact CG2-CB 3.77Å; I28-L36 HydrophobicContact CG2-CD2 4.1Å; I28-L36 HydrophobicContact CG2-CG 3.99Å; I28-V37 HydrophobicContact CG2-CG2 4.33Å; I28-V40 HydrophobicContact CB-CG2 4.31Å; I28-V40 HydrophobicContact CD1-CG2 4.12Å; I28-V40 HydrophobicContact CG2-CB 4.49Å; I28-V40 HydrophobicContact CG2-CG2 3.8Å
29L93.1Very high93.6Very high6 Ų665.5 Ų65.53%0.03134%0.335CS..Hα-helixtrans-65.6-33.6178.5-68.5177.9000112.6F25 T26 I27 V37 V40 R41 I44 T99 Y103F25-L29 WeakPolarHBondContact O-CB 3.26Å; F25-L29 VanDerWaalsContact O-CG 3.3Å; F25-L29 WeakPolarHBondContact O-CG 3.47Å; F25-L29 PolarHBondContact O-N 3.22Å; T26-L29 PolarHBondContact O-N 2.94Å; I27-L29 PolarHBondContact O-N 3.37Å; L29-V37 HydrophobicContact CD2-CG1 4.06Å; L29-V37 HydrophobicContact CD2-CG2 4.42Å; L29-V40 HydrophobicContact CD1-CG1 3.95Å; L29-V40 HydrophobicContact CD2-CB 4.24Å; L29-V40 HydrophobicContact CD2-CG1 3.9Å; L29-V40 HydrophobicContact CG-CG1 3.8Å; L29-R41 HydrophobicContact CD2-CG 4.13Å; L29-I44 HydrophobicContact CD1-CD1 3.84Å; L29-T99 HydrophobicContact CD1-CG2 3.75Å; L29-Y103 HydrophobicContact CB-CD2 3.67Å; L29-Y103 HydrophobicContact CB-CE1 4.46Å; L29-Y103 HydrophobicContact CB-CE2 3.62Å; L29-Y103 HydrophobicContact CB-CG 4.13Å; L29-Y103 HydrophobicContact CD1-CD1 4.14Å; L29-Y103 HydrophobicContact CD1-CD2 4.45Å; L29-Y103 HydrophobicContact CD1-CG 4.07Å
30T90.7Very high93.6Very high24 Ų2462.9 Ų62.915%0.14732%0.321CS..Hα-helixtrans-75.9-40.1179-52.70000111.9T26 I27 I28 K32 I106 W114 L128T26-T30 WeakPolarHBondContact O-CB 3.2Å; T26-T30 PolarHBondContact O-N 3.47Å; T26-T30 PolarHBondContact O-OG1 3.44Å; I27-T30 PolarHBondContact O-N 3.31Å; I28-T30 VanDerWaalsContact C-N 3.31Å; I28-T30 PolarHBondContact O-N 3.41Å; T30-K32 PolarHBondContact O-N 3.15Å; T30-I106 HydrophobicContact CG2-CG2 3.95Å; T30-I106 WeakPolarHBondContact OG1-CD1 3.2Å; T30-W114 HydrophobicContact CG2-CH2 3.93Å; T30-L128 HydrophobicContact CG2-CD1 4.46Å; T30-L128 HydrophobicContact CG2-CD2 3.4Å; T30-L128 VanDerWaalsContact CG2-CD2 3.4Å; T30-L128 HydrophobicContact CG2-CG 4.37Å
31L87.9Confident93.6Very high59 Ų5965.2 Ų65.231%0.30932%0.324SS..Hα-helixtrans-72-14.2176.2-70.4177.8000113.3I27 I28 T33 K124 L128I27-L31 HydrophobicContact CG2-CD1 3.67Å; I27-L31 HydrophobicContact CG2-CG 4.15Å; I27-L31 WeakPolarHBondContact O-CB 3.43Å; I27-L31 WeakPolarHBondContact O-CG 3.22Å; I27-L31 PolarHBondContact O-N 2.97Å; I28-L31 PolarHBondContact O-N 2.87Å; L31-T33 VanDerWaalsContact C-N 3.34Å; L31-T33 HydrophobicContact CB-CG2 4.25Å; L31-T33 PolarHBondContact O-N 3.48Å; L31-K124 HydrophobicContact CD2-CB 4.47Å; L31-L128 HydrophobicContact CD2-CD1 3.48Å; L31-L128 VanDerWaalsContact CD2-CD1 3.48Å; L31-L128 HydrophobicContact CG-CD1 4Å
32K88.8Confident93.6Very high160 Ų16065.1 Ų65.170%0.69633%0.334SS*.THydrogen-bonded Turntrans56.942.1179.6-59.6-179.3179.8178.60113I28 T30I28-K32 PolarHBondContact O-N 3.48Å; I28-K32 VanDerWaalsContact O-N 3.15Å; T30-K32 PolarHBondContact O-N 3.15Å
33T88.1Confident93.6Very high50 Ų5066.8 Ų66.831%0.30734%0.34SS..  trans-71.2118.517747.80000110.4L31 V35 L36 V37L31-T33 VanDerWaalsContact C-N 3.34Å; L31-T33 HydrophobicContact CB-CG2 4.25Å; L31-T33 PolarHBondContact O-N 3.48Å; T33-V35 PolarHBondContact O-N 3.45Å; T33-L36 PolarHBondContact O-N 2.85Å; T33-L36 WeakPolarHBondContact OG1-CB 3.46Å; T33-V37 WeakPolarHBondContact O-CB 3.25Å; T33-V37 WeakPolarHBondContact O-CG2 3.38Å; T33-V37 PolarHBondContact O-N 3.01Å
34P85.5Confident93.8Very high113 Ų11364.6 Ų64.673%0.73433%0.329SS*.Hα-helixtrans-60.2-53.2-158.219.8-32.6000114.7
35V94.4Very high94Very high109 Ų10965.3 Ų65.366%0.66134%0.338SS*.Hα-helixtrans-68.3-44.6-179.2178.10000111T33 V37 W38 L39T33-V35 PolarHBondContact O-N 3.45Å; V35-V37 PolarHBondContact O-N 3.25Å; V35-W38 PolarHBondContact O-N 2.96Å; V35-L39 PolarHBondContact O-N 3.42Å
36L94.4Very high94Very high79 Ų7968.4 Ų68.441%0.41436%0.355SS..Hα-helixtrans-70.5-35.3-173.4-138.166000111.9I28 T33 W38 L39 V40I28-L36 HydrophobicContact CD1-CD2 3.53Å; I28-L36 HydrophobicContact CD1-CG 3.93Å; I28-L36 HydrophobicContact CG1-CD2 3.7Å; I28-L36 HydrophobicContact CG1-CG 4.35Å; I28-L36 HydrophobicContact CG2-CB 3.77Å; I28-L36 HydrophobicContact CG2-CD2 4.1Å; I28-L36 HydrophobicContact CG2-CG 3.99Å; T33-L36 PolarHBondContact O-N 2.85Å; T33-L36 WeakPolarHBondContact OG1-CB 3.46Å; L36-W38 VanDerWaalsContact C-N 3.31Å; L36-W38 PolarHBondContact O-N 2.63Å; L36-L39 HydrophobicContact CD1-CD1 4.45Å; L36-L39 PolarHBondContact O-N 2.88Å; L36-V40 VanDerWaalsContact O-CG2 3.32Å; L36-V40 WeakPolarHBondContact O-CG2 3.15Å; L36-V40 PolarHBondContact O-N 2.81Å
37V95.9Very high94.2Very high18 Ų1869.6 Ų69.611%0.10936%0.36CS..Hα-helixtrans-60.2-41.8172.9165.80000111.3I28 L29 T33 V35 V40 R41I28-V37 HydrophobicContact CG2-CG2 4.33Å; L29-V37 HydrophobicContact CD2-CG1 4.06Å; L29-V37 HydrophobicContact CD2-CG2 4.42Å; T33-V37 WeakPolarHBondContact O-CB 3.25Å; T33-V37 WeakPolarHBondContact O-CG2 3.38Å; T33-V37 PolarHBondContact O-N 3.01Å; V35-V37 PolarHBondContact O-N 3.25Å; V37-V40 PolarHBondContact O-N 3.24Å; V37-R41 HydrophobicContact CG1-CG 4.4Å; V37-R41 WeakPolarHBondContact O-CB 3.35Å; V37-R41 VanDerWaalsContact O-CG 3.28Å; V37-R41 WeakPolarHBondContact O-CG 3.37Å; V37-R41 PolarHBondContact O-N 3.16Å
38W96.4Very high94.4Very high198 Ų19868 Ų6875%0.7535%0.354SS*.Hα-helixtrans-66.7-43.1-179.8-169.779000111.4V35 L36 R41 G42V35-W38 PolarHBondContact O-N 2.96Å; L36-W38 VanDerWaalsContact C-N 3.31Å; L36-W38 PolarHBondContact O-N 2.63Å; W38-R41 PolarHBondContact O-N 3.46Å; W38-G42 PolarHBondContact O-N 3.33Å
39L97.2Very high94.6Very high97 Ų9770 Ų7051%0.50838%0.379SS..Hα-helixtrans-60-46.9174.2-67.6176.3000112.2V35 L36 R41 G42 Y43V35-L39 PolarHBondContact O-N 3.42Å; L36-L39 HydrophobicContact CD1-CD1 4.45Å; L36-L39 PolarHBondContact O-N 2.88Å; L39-R41 VanDerWaalsContact C-N 3.35Å; L39-R41 PolarHBondContact O-N 3.44Å; L39-G42 PolarHBondContact O-N 3.4Å; L39-Y43 WeakPolarHBondContact O-CB 3.36Å; L39-Y43 PolarHBondContact O-N 3.33Å
40V97.8Very high94.7Very high6 Ų671.8 Ų71.84%0.03639%0.39CS..Hα-helixtrans-64.3-39.4178.3172.40000111.5F25 I28 L29 L36 V37 Y43 I44F25-V40 HydrophobicContact CB-CG1 3.73Å; F25-V40 HydrophobicContact CB-CG2 4.4Å; F25-V40 HydrophobicContact CD1-CG1 4.23Å; F25-V40 HydrophobicContact CD1-CG2 3.56Å; F25-V40 HydrophobicContact CE1-CG2 4.13Å; F25-V40 HydrophobicContact CG-CG1 3.99Å; F25-V40 HydrophobicContact CG-CG2 4.17Å; I28-V40 HydrophobicContact CB-CG2 4.31Å; I28-V40 HydrophobicContact CD1-CG2 4.12Å; I28-V40 HydrophobicContact CG2-CB 4.49Å; I28-V40 HydrophobicContact CG2-CG2 3.8Å; L29-V40 HydrophobicContact CD1-CG1 3.95Å; L29-V40 HydrophobicContact CD2-CB 4.24Å; L29-V40 HydrophobicContact CD2-CG1 3.9Å; L29-V40 HydrophobicContact CG-CG1 3.8Å; L36-V40 VanDerWaalsContact O-CG2 3.32Å; L36-V40 WeakPolarHBondContact O-CG2 3.15Å; L36-V40 PolarHBondContact O-N 2.81Å; V37-V40 PolarHBondContact O-N 3.24Å; V40-Y43 WeakPolarHBondContact O-CB 3.5Å; V40-Y43 PolarHBondContact O-N 2.81Å; V40-I44 HydrophobicContact CG1-CD1 3.86Å; V40-I44 HydrophobicContact CG1-CG1 4.37Å; V40-I44 WeakPolarHBondContact O-CB 3.38Å; V40-I44 VanDerWaalsContact O-CG1 3.26Å; V40-I44 WeakPolarHBondContact O-CG1 3.28Å; V40-I44 PolarHBondContact O-N 2.96Å
41R97.2Very high95.1Very high142 Ų14274.7 Ų74.754%0.53641%0.41SS..Hα-helixtrans-64.6-44.5175.4-76.3178179.4-170.70.4111.9L29 V37 W38 L39 Y43 I44 T45L29-R41 HydrophobicContact CD2-CG 4.13Å; V37-R41 HydrophobicContact CG1-CG 4.4Å; V37-R41 WeakPolarHBondContact O-CB 3.35Å; V37-R41 VanDerWaalsContact O-CG 3.28Å; V37-R41 WeakPolarHBondContact O-CG 3.37Å; V37-R41 PolarHBondContact O-N 3.16Å; W38-R41 PolarHBondContact O-N 3.46Å; L39-R41 VanDerWaalsContact C-N 3.35Å; L39-R41 PolarHBondContact O-N 3.44Å; R41-Y43 VanDerWaalsContact C-N 3.33Å; R41-Y43 PolarHBondContact O-N 3.24Å; R41-I44 PolarHBondContact O-N 3.47Å; R41-T45 PolarHBondContact O-N 3.41Å; R41-T45 PolarHBondContact O-OG1 2.95Å; R41-T45 VanDerWaalsContact O-OG1 3.1Å
42G97.5Very high95.5Very high43 Ų4372.8 Ų72.844%0.44340%0.4SS..Hα-helixtrans-59.5-44.9175.700000112W38 L39 T45 L46W38-G42 PolarHBondContact O-N 3.33Å; L39-G42 PolarHBondContact O-N 3.4Å; G42-T45 PolarHBondContact O-N 2.94Å; G42-L46 WeakPolarHBondContact O-CB 3.5Å; G42-L46 PolarHBondContact O-N 3.47Å
43Y98Very high95.9Very high34 Ų3468.2 Ų68.213%0.13338%0.383CS..Hα-helixtrans-56.2-52.5172.2168.6-91000112.2F25 L39 V40 R41 T45 L46 F47 L92 A96F25-Y43 HydrophobicContact CD2-CD1 4.15Å; F25-Y43 AromaticContact CD2-CE1 3.89Å; F25-Y43 HydrophobicContact CD2-CE1 3.89Å; F25-Y43 AromaticContact CE2-CD1 3.71Å; F25-Y43 HydrophobicContact CE2-CD1 3.71Å; F25-Y43 AromaticContact CE2-CE1 3.35Å; F25-Y43 HydrophobicContact CE2-CE1 3.35Å; F25-Y43 HydrophobicContact CE2-CE2 4.36Å; F25-Y43 HydrophobicContact CE2-CG 4.39Å; F25-Y43 AromaticContact CE2-CZ 3.7Å; F25-Y43 HydrophobicContact CZ-CD1 4.29Å; F25-Y43 HydrophobicContact CZ-CE1 4.22Å; L39-Y43 WeakPolarHBondContact O-CB 3.36Å; L39-Y43 PolarHBondContact O-N 3.33Å; V40-Y43 WeakPolarHBondContact O-CB 3.5Å; V40-Y43 PolarHBondContact O-N 2.81Å; R41-Y43 VanDerWaalsContact C-N 3.33Å; R41-Y43 PolarHBondContact O-N 3.24Å; Y43-T45 VanDerWaalsContact C-N 3.34Å; Y43-T45 PolarHBondContact O-N 3.41Å; Y43-L46 WeakPolarHBondContact O-CB 3.49Å; Y43-L46 PolarHBondContact O-N 3.01Å; Y43-F47 HydrophobicContact CD1-CD2 4.5Å; Y43-F47 AromaticContact CD2-CD2 3.39Å; Y43-F47 HydrophobicContact CD2-CD2 3.39Å; Y43-F47 AromaticContact CD2-CE2 3.46Å; Y43-F47 HydrophobicContact CD2-CE2 3.46Å; Y43-F47 VanDerWaalsContact CD2-CE2 3.46Å; Y43-F47 HydrophobicContact CE1-CD2 4.33Å; Y43-F47 AromaticContact CE2-CD2 3.21Å; Y43-F47 HydrophobicContact CE2-CD2 3.21Å; Y43-F47 AromaticContact CE2-CE2 3.27Å; Y43-F47 HydrophobicContact CE2-CE2 3.27Å; Y43-F47 HydrophobicContact CE2-CG 4.12Å; Y43-F47 HydrophobicContact CE2-CZ 4.23Å; Y43-F47 HydrophobicContact CG-CD2 4.06Å; Y43-F47 HydrophobicContact CG-CE2 4.49Å; Y43-F47 AromaticContact CZ-CD2 3.72Å; Y43-F47 WeakPolarHBondContact O-CD2 3.36Å; Y43-F47 PolarHBondContact O-N 3.4Å; Y43-L92 HydrophobicContact CE2-CB 4.32Å; Y43-L92 HydrophobicContact CE2-CD2 3.91Å; Y43-L92 WeakPolarHBondContact OH-CA 3.48Å; Y43-L92 WeakPolarHBondContact OH-CB 3.35Å; Y43-L92 PolarHBondContact OH-O 3.28Å; Y43-A96 HydrophobicContact CE1-CB 3.85Å
44I98Very high96.3Very high13 Ų1368.9 Ų68.97%0.06739%0.386CS..Hα-helixtrans-58.3-49.7-179.5-72169.3000109.8L29 V40 R41 L46 F47 T48 T99 Q100L29-I44 HydrophobicContact CD1-CD1 3.84Å; V40-I44 HydrophobicContact CG1-CD1 3.86Å; V40-I44 HydrophobicContact CG1-CG1 4.37Å; V40-I44 WeakPolarHBondContact O-CB 3.38Å; V40-I44 VanDerWaalsContact O-CG1 3.26Å; V40-I44 WeakPolarHBondContact O-CG1 3.28Å; V40-I44 PolarHBondContact O-N 2.96Å; R41-I44 PolarHBondContact O-N 3.47Å; I44-L46 VanDerWaalsContact C-N 3.27Å; I44-L46 PolarHBondContact O-N 3.49Å; I44-F47 PolarHBondContact O-N 2.92Å; I44-T48 HydrophobicContact CG2-CG2 4.15Å; I44-T48 WeakPolarHBondContact O-CB 3.18Å; I44-T48 WeakPolarHBondContact O-CG2 3.15Å; I44-T48 PolarHBondContact O-N 3.49Å; I44-T48 PolarHBondContact O-OG1 3.14Å; I44-T99 HydrophobicContact CD1-CG2 3.74Å; I44-Q100 HydrophobicContact CG2-CG 3.74Å
45T97.7Very high96.9Very high98 Ų9863.9 Ų63.960%0.60135%0.353SS*.Hα-helixtrans-57.2-41.3178.8-62.40000112R41 G42 Y43 G49R41-T45 PolarHBondContact O-N 3.41Å; R41-T45 PolarHBondContact O-OG1 2.95Å; R41-T45 VanDerWaalsContact O-OG1 3.1Å; G42-T45 PolarHBondContact O-N 2.94Å; Y43-T45 VanDerWaalsContact C-N 3.34Å; Y43-T45 PolarHBondContact O-N 3.41Å; T45-G49 VanDerWaalsContact O-CA 3.29Å; T45-G49 WeakPolarHBondContact O-CA 3.21Å; T45-G49 PolarHBondContact O-N 3.34Å
46L97.7Very high97Very high97 Ų9758.8 Ų58.851%0.50832%0.322SS..Hα-helixtrans-63.4-51.1177.6179.165.3000111.9G42 Y43 I44 T50G42-L46 WeakPolarHBondContact O-CB 3.5Å; G42-L46 PolarHBondContact O-N 3.47Å; Y43-L46 WeakPolarHBondContact O-CB 3.49Å; Y43-L46 PolarHBondContact O-N 3.01Å; I44-L46 VanDerWaalsContact C-N 3.27Å; I44-L46 PolarHBondContact O-N 3.49Å; L46-T50 HydrophobicContact CD1-CG2 4.33Å; L46-T50 WeakPolarHBondContact O-CB 3.32Å; L46-T50 WeakPolarHBondContact O-CG2 3.42Å; L46-T50 PolarHBondContact O-N 3.04Å; L46-T50 PolarHBondContact O-OG1 3.12Å
47F97.8Very high97Very high26 Ų2658.8 Ų58.811%0.11432%0.319CS..Hα-helixtrans-82.2-23.5-171.9-77.4-79.6000114.2Y43 I44 Q55 L92 N93 A96Y43-F47 HydrophobicContact CD1-CD2 4.5Å; Y43-F47 AromaticContact CD2-CD2 3.39Å; Y43-F47 HydrophobicContact CD2-CD2 3.39Å; Y43-F47 AromaticContact CD2-CE2 3.46Å; Y43-F47 HydrophobicContact CD2-CE2 3.46Å; Y43-F47 VanDerWaalsContact CD2-CE2 3.46Å; Y43-F47 HydrophobicContact CE1-CD2 4.33Å; Y43-F47 AromaticContact CE2-CD2 3.21Å; Y43-F47 HydrophobicContact CE2-CD2 3.21Å; Y43-F47 AromaticContact CE2-CE2 3.27Å; Y43-F47 HydrophobicContact CE2-CE2 3.27Å; Y43-F47 HydrophobicContact CE2-CG 4.12Å; Y43-F47 HydrophobicContact CE2-CZ 4.23Å; Y43-F47 HydrophobicContact CG-CD2 4.06Å; Y43-F47 HydrophobicContact CG-CE2 4.49Å; Y43-F47 AromaticContact CZ-CD2 3.72Å; Y43-F47 WeakPolarHBondContact O-CD2 3.36Å; Y43-F47 PolarHBondContact O-N 3.4Å; I44-F47 PolarHBondContact O-N 2.92Å; F47-Q55 HydrophobicContact CD1-CG 4.48Å; F47-Q55 PolarHBondContact O-NE2 3.21Å; F47-L92 HydrophobicContact CD1-CB 3.68Å; F47-L92 HydrophobicContact CD2-CB 4.49Å; F47-L92 HydrophobicContact CE1-CB 3.42Å; F47-L92 VanDerWaalsContact CE1-CB 3.42Å; F47-L92 HydrophobicContact CE1-CD1 3.77Å; F47-L92 HydrophobicContact CE1-CG 4.23Å; F47-L92 HydrophobicContact CE2-CB 4.28Å; F47-L92 HydrophobicContact CE2-CD1 4.36Å; F47-L92 HydrophobicContact CG-CB 4.24Å; F47-L92 HydrophobicContact CZ-CB 3.76Å; F47-L92 HydrophobicContact CZ-CD1 3.51Å; F47-L92 HydrophobicContact CZ-CG 4.2Å; F47-N93 PolarHBondContact O-ND2 2.68Å; F47-N93 VanDerWaalsContact O-ND2 3.15Å; F47-A96 HydrophobicContact CB-CB 3.7Å
48T96Very high97Very high36 Ų3663.4 Ų63.422%0.22134%0.343CS..Hα-helixtrans-90-17.5169.666.50000113I44 A96 Y97I44-T48 HydrophobicContact CG2-CG2 4.15Å; I44-T48 WeakPolarHBondContact O-CB 3.18Å; I44-T48 WeakPolarHBondContact O-CG2 3.15Å; I44-T48 PolarHBondContact O-N 3.49Å; I44-T48 PolarHBondContact O-OG1 3.14Å; T48-A96 HydrophobicContact CG2-CB 3.78Å; T48-Y97 HydrophobicContact CG2-CD1 4.06Å; T48-Y97 HydrophobicContact CG2-CD2 4.38Å; T48-Y97 HydrophobicContact CG2-CE1 3.93Å; T48-Y97 HydrophobicContact CG2-CE2 4.25Å; T48-Y97 HydrophobicContact CG2-CG 4.28Å; T48-Y97 PolarHBondContact O-OH 3.48Å
49G96.1Very high96.9Very high61 Ų6155.6 Ų55.663%0.62932%0.315SS*.Hα-helixtrans-92.7-13.3-178.700000114.5T45T45-G49 VanDerWaalsContact O-CA 3.29Å; T45-G49 WeakPolarHBondContact O-CA 3.21Å; T45-G49 PolarHBondContact O-N 3.34Å
50T96.6Very high96.7Very high45 Ų4553.5 Ų53.528%0.27630%0.301SS..SBendtrans-111.5138.2178.853.70000110.9L46 L52 Q55L46-T50 HydrophobicContact CD1-CG2 4.33Å; L46-T50 WeakPolarHBondContact O-CB 3.32Å; L46-T50 WeakPolarHBondContact O-CG2 3.42Å; L46-T50 PolarHBondContact O-N 3.04Å; L46-T50 PolarHBondContact O-OG1 3.12Å; T50-L52 PolarHBondContact O-N 3.45Å; T50-Q55 PolarHBondContact O-NE2 3.05Å; T50-Q55 WeakPolarHBondContact OG1-CG 3.32Å; T50-Q55 PolarHBondContact OG1-NE2 2.86Å
51P97.4Very high96.5Very high85 Ų8558.5 Ų58.555%0.55232%0.32SS*.  trans-60.8136.8175.7-22.332.8000111.2L53 V54 Q55P51-L53 PolarHBondContact O-N 3.42Å; P51-L53 VanDerWaalsContact O-N 3.14Å; P51-V54 HydrophobicContact CB-CG2 4.16Å; P51-V54 HydrophobicContact CG-CG2 4.21Å; P51-V54 WeakPolarHBondContact O-CA 3.3Å; P51-V54 WeakPolarHBondContact O-CB 3.31Å; P51-V54 PolarHBondContact O-N 2.87Å; P51-Q55 PolarHBondContact O-N 3.29Å; P51-Q55 VanDerWaalsContact O-N 3.11Å
52L97.6Very high96.2Very high19 Ų1952.7 Ų52.710%0.09930%0.304CS..Hα-helixtrans-54.9-35.9-180175.761.8000112.7T50 V54 Q55 I56 A89 L90 N93 S153 L156T50-L52 PolarHBondContact O-N 3.45Å; L52-V54 VanDerWaalsContact C-N 3.33Å; L52-V54 PolarHBondContact O-N 3.17Å; L52-Q55 WeakPolarHBondContact O-CB 3.38Å; L52-Q55 PolarHBondContact O-N 2.9Å; L52-Q55 VanDerWaalsContact O-N 3.16Å; L52-I56 HydrophobicContact CD1-CD1 4.33Å; L52-I56 HydrophobicContact CD1-CG1 4.27Å; L52-I56 HydrophobicContact CG-CD1 4.09Å; L52-I56 HydrophobicContact CG-CG1 4.47Å; L52-I56 WeakPolarHBondContact O-CG1 3.23Å; L52-I56 PolarHBondContact O-N 3.42Å; L52-A89 HydrophobicContact CD1-CB 4.25Å; L52-L90 HydrophobicContact CD1-CD2 4.48Å; L52-L90 HydrophobicContact CD2-CD2 3.7Å; L52-N93 HydrophobicContact CD1-CB 3.77Å; L52-S153 VanDerWaalsContact CD2-CB 3.42Å; L52-L156 HydrophobicContact CB-CD1 4.19Å; L52-L156 HydrophobicContact CD2-CD1 3.95Å; L52-L156 HydrophobicContact CG-CD1 4Å
53L96.8Very high95.8Very high64 Ų6451.5 Ų51.534%0.33529%0.289SS..Hα-helixtrans-57.6-46.9175-175.559000111.4P51 Q55 I56 F57 L156 T159P51-L53 PolarHBondContact O-N 3.42Å; P51-L53 VanDerWaalsContact O-N 3.14Å; L53-Q55 VanDerWaalsContact C-N 3.3Å; L53-Q55 PolarHBondContact O-N 2.86Å; L53-I56 PolarHBondContact O-N 3.03Å; L53-F57 HydrophobicContact CD1-CD2 3.82Å; L53-F57 HydrophobicContact CD1-CE2 3.51Å; L53-F57 HydrophobicContact CD2-CE2 4.29Å; L53-F57 HydrophobicContact CG-CD2 3.83Å; L53-F57 HydrophobicContact CG-CE2 3.74Å; L53-F57 VanDerWaalsContact O-CD2 3.25Å; L53-F57 WeakPolarHBondContact O-CD2 3.47Å; L53-F57 PolarHBondContact O-N 2.74Å; L53-L156 HydrophobicContact CB-CD1 4.28Å; L53-L156 HydrophobicContact CD1-CB 4.35Å; L53-L156 HydrophobicContact CD1-CD2 4.27Å; L53-T159 HydrophobicContact CD1-CG2 3.97Å
54V97.2Very high95.3Very high64 Ų6451.4 Ų51.439%0.38830%0.298SS..Hα-helixtrans-63.1-39.2177.4178.20000110.7P51 L52 F57 L58P51-V54 HydrophobicContact CB-CG2 4.16Å; P51-V54 HydrophobicContact CG-CG2 4.21Å; P51-V54 WeakPolarHBondContact O-CA 3.3Å; P51-V54 WeakPolarHBondContact O-CB 3.31Å; P51-V54 PolarHBondContact O-N 2.87Å; L52-V54 VanDerWaalsContact C-N 3.33Å; L52-V54 PolarHBondContact O-N 3.17Å; V54-F57 PolarHBondContact O-N 2.9Å; V54-L58 HydrophobicContact CG1-CD1 3.87Å; V54-L58 HydrophobicContact CG1-CG 4.18Å; V54-L58 WeakPolarHBondContact O-CB 3.32Å; V54-L58 WeakPolarHBondContact O-CG 3.43Å; V54-L58 PolarHBondContact O-N 3.45Å
55Q97.4Very high94.8Very high8 Ų857.6 Ų57.64%0.03733%0.327CS..Hα-helixtrans-60.3-46.9175.4-61171.810.400111.2F47 T50 P51 L52 L53 L58 I59 N93F47-Q55 HydrophobicContact CD1-CG 4.48Å; F47-Q55 PolarHBondContact O-NE2 3.21Å; T50-Q55 PolarHBondContact O-NE2 3.05Å; T50-Q55 WeakPolarHBondContact OG1-CG 3.32Å; T50-Q55 PolarHBondContact OG1-NE2 2.86Å; P51-Q55 PolarHBondContact O-N 3.29Å; P51-Q55 VanDerWaalsContact O-N 3.11Å; L52-Q55 WeakPolarHBondContact O-CB 3.38Å; L52-Q55 PolarHBondContact O-N 2.9Å; L52-Q55 VanDerWaalsContact O-N 3.16Å; L53-Q55 VanDerWaalsContact C-N 3.3Å; L53-Q55 PolarHBondContact O-N 2.86Å; Q55-L58 PolarHBondContact O-N 3.17Å; Q55-I59 WeakPolarHBondContact O-CB 3.43Å; Q55-I59 WeakPolarHBondContact O-CD1 3.4Å; Q55-I59 VanDerWaalsContact O-CG1 3.23Å; Q55-I59 WeakPolarHBondContact O-CG1 3.47Å; Q55-I59 PolarHBondContact O-N 2.98Å; Q55-N93 PolarHBondContact NE2-ND2 3.16Å; Q55-N93 VanDerWaalsContact NE2-ND2 3.14Å; Q55-N93 PolarHBondContact OE1-ND2 3.35Å
56I96.3Very high94.5Very high1 Ų159 Ų591%0.00532%0.324CS..Hα-helixtrans-58.7-48.7176-69.8169.8000110.6L52 L53 L58 I59 Y60 A89 L156 I160L52-I56 HydrophobicContact CD1-CD1 4.33Å; L52-I56 HydrophobicContact CD1-CG1 4.27Å; L52-I56 HydrophobicContact CG-CD1 4.09Å; L52-I56 HydrophobicContact CG-CG1 4.47Å; L52-I56 WeakPolarHBondContact O-CG1 3.23Å; L52-I56 PolarHBondContact O-N 3.42Å; L53-I56 PolarHBondContact O-N 3.03Å; I56-L58 PolarHBondContact O-N 3.16Å; I56-I59 PolarHBondContact O-N 3.43Å; I56-Y60 VanDerWaalsContact O-CB 3.31Å; I56-Y60 WeakPolarHBondContact O-CB 3.37Å; I56-Y60 PolarHBondContact O-N 2.93Å; I56-A89 HydrophobicContact CB-CB 4.4Å; I56-A89 HydrophobicContact CG1-CB 3.52Å; I56-L156 HydrophobicContact CD1-CB 3.63Å; I56-L156 HydrophobicContact CD1-CD1 4.42Å; I56-I160 HydrophobicContact CG2-CB 4.38Å; I56-I160 HydrophobicContact CG2-CD1 3.75Å; I56-I160 HydrophobicContact CG2-CG1 3.9Å; I56-I160 HydrophobicContact CG2-CG2 3.59Å
57F95.2Very high93.9Very high79 Ų7958.6 Ų58.635%0.34633%0.328SS..Hα-helixtrans-60.2-46.9178.6-89.4-79.8000112.4L53 V54 Y60 Y61L53-F57 HydrophobicContact CD1-CD2 3.82Å; L53-F57 HydrophobicContact CD1-CE2 3.51Å; L53-F57 HydrophobicContact CD2-CE2 4.29Å; L53-F57 HydrophobicContact CG-CD2 3.83Å; L53-F57 HydrophobicContact CG-CE2 3.74Å; L53-F57 VanDerWaalsContact O-CD2 3.25Å; L53-F57 WeakPolarHBondContact O-CD2 3.47Å; L53-F57 PolarHBondContact O-N 2.74Å; V54-F57 PolarHBondContact O-N 2.9Å; F57-Y60 PolarHBondContact O-N 3.32Å; F57-Y61 AromaticContact CD1-CD2 3.52Å; F57-Y61 HydrophobicContact CD1-CD2 3.52Å; F57-Y61 AromaticContact CD1-CE2 3.42Å; F57-Y61 HydrophobicContact CD1-CE2 3.42Å; F57-Y61 VanDerWaalsContact CD1-CE2 3.42Å; F57-Y61 HydrophobicContact CE1-CD2 4.19Å; F57-Y61 AromaticContact CE1-CE2 3.6Å; F57-Y61 HydrophobicContact CE1-CE2 3.6Å; F57-Y61 HydrophobicContact CG-CD2 4.45Å; F57-Y61 WeakPolarHBondContact O-CB 3.46Å; F57-Y61 PolarHBondContact O-N 3.5Å
58L94.8Very high93.5Very high116 Ų11661.4 Ų61.461%0.60735%0.347SS*.Hα-helixtrans-66.7-39.2-179.8-71.4176.5000112.1V54 Q55 I56 G62V54-L58 HydrophobicContact CG1-CD1 3.87Å; V54-L58 HydrophobicContact CG1-CG 4.18Å; V54-L58 WeakPolarHBondContact O-CB 3.32Å; V54-L58 WeakPolarHBondContact O-CG 3.43Å; V54-L58 PolarHBondContact O-N 3.45Å; Q55-L58 PolarHBondContact O-N 3.17Å; I56-L58 PolarHBondContact O-N 3.16Å; L58-G62 WeakPolarHBondContact O-CA 3.42Å; L58-G62 PolarHBondContact O-N 3.4Å
59I94.4Very high93Very high33 Ų3362 Ų6217%0.16935%0.349CS..Hα-helixtrans-68.8-37.1178.5-71164.5000111.1Q55 I56 P63 C85 I88 A89Q55-I59 WeakPolarHBondContact O-CB 3.43Å; Q55-I59 WeakPolarHBondContact O-CD1 3.4Å; Q55-I59 VanDerWaalsContact O-CG1 3.23Å; Q55-I59 WeakPolarHBondContact O-CG1 3.47Å; Q55-I59 PolarHBondContact O-N 2.98Å; I56-I59 PolarHBondContact O-N 3.43Å; I59-P63 WeakPolarHBondContact O-CD 3.26Å; I59-P63 WeakPolarHBondContact O-CG 3.5Å; I59-C85 HydrophobicContact CG2-CB 3.89Å; I59-I88 HydrophobicContact CD1-CG2 4.11Å; I59-I88 HydrophobicContact CG2-CG2 4.45Å; I59-A89 HydrophobicContact CD1-CB 3.65Å
60Y94.3Very high92.4Very high53 Ų5363.5 Ų63.521%0.20834%0.339CS..Hα-helixtrans-82.3-49.8-178-176.7-111.5000113.3I56 F57 P82 C85 I160I56-Y60 VanDerWaalsContact O-CB 3.31Å; I56-Y60 WeakPolarHBondContact O-CB 3.37Å; I56-Y60 PolarHBondContact O-N 2.93Å; F57-Y60 PolarHBondContact O-N 3.32Å; Y60-P82 HydrophobicContact CE2-CB 4Å; Y60-P82 HydrophobicContact CE2-CG 3.71Å; Y60-C85 HydrophobicContact CD2-CB 4.13Å; Y60-I160 HydrophobicContact CD1-CB 3.61Å; Y60-I160 HydrophobicContact CD1-CG2 3.5Å; Y60-I160 HydrophobicContact CD2-CB 4.27Å; Y60-I160 HydrophobicContact CD2-CD1 4.18Å; Y60-I160 HydrophobicContact CE1-CB 3.94Å; Y60-I160 HydrophobicContact CE1-CG2 4.25Å; Y60-I160 HydrophobicContact CG-CB 3.78Å; Y60-I160 HydrophobicContact CG-CD1 4.18Å; Y60-I160 HydrophobicContact CG-CG2 3.72Å
61Y92.2Very high92Very high111 Ų11168.2 Ų68.244%0.43536%0.358SS..Hα-helixtrans-89.9-20.3-176.9-66.8-74.1000113.8F57 G64 I160F57-Y61 AromaticContact CD1-CD2 3.52Å; F57-Y61 HydrophobicContact CD1-CD2 3.52Å; F57-Y61 AromaticContact CD1-CE2 3.42Å; F57-Y61 HydrophobicContact CD1-CE2 3.42Å; F57-Y61 VanDerWaalsContact CD1-CE2 3.42Å; F57-Y61 HydrophobicContact CE1-CD2 4.19Å; F57-Y61 AromaticContact CE1-CE2 3.6Å; F57-Y61 HydrophobicContact CE1-CE2 3.6Å; F57-Y61 HydrophobicContact CG-CD2 4.45Å; F57-Y61 WeakPolarHBondContact O-CB 3.46Å; F57-Y61 PolarHBondContact O-N 3.5Å; Y61-G64 PolarHBondContact O-N 2.89Å; Y61-I160 HydrophobicContact CE2-CG2 4.23Å
62G91.6Very high91.7Very high21 Ų2171 Ų7122%0.21636%0.358CS..SBendtrans-62.7-52.2-176.100000113.8L58 G64 Q65 F66L58-G62 WeakPolarHBondContact O-CA 3.42Å; L58-G62 PolarHBondContact O-N 3.4Å; G62-G64 PolarHBondContact O-N 2.96Å; G62-Q65 WeakPolarHBondContact O-CB 3.4Å; G62-Q65 PolarHBondContact O-N 2.91Å; G62-F66 WeakPolarHBondContact O-CD2 3.15Å
63P89.8Confident91.1Very high18 Ų1874.9 Ų74.912%0.11739%0.385CS..G310 helixtrans-57.2-33179.2-2836.6000113.7I59 Q65 F66 L69 W76 L79I59-P63 WeakPolarHBondContact O-CD 3.26Å; I59-P63 WeakPolarHBondContact O-CG 3.5Å; P63-Q65 PolarHBondContact O-N 3.24Å; P63-F66 PolarHBondContact O-N 2.98Å; P63-F66 VanDerWaalsContact O-N 3.12Å; P63-L69 HydrophobicContact CB-CD1 4.16Å; P63-W76 HydrophobicContact CB-CZ3 4.16Å; P63-L79 HydrophobicContact CB-CB 4.09Å; P63-L79 HydrophobicContact CB-CD1 3.94Å; P63-L79 HydrophobicContact CG-CB 4.12Å; P63-L79 HydrophobicContact CG-CD1 4.02Å; P63-L79 HydrophobicContact CG-CD2 4.26Å; P63-L79 HydrophobicContact CG-CG 4.36Å
64G86.4Confident90.7Very high31 Ų3175.4 Ų75.432%0.3240%0.399SS..G310 helixtrans-64.9-16.8177.900000114.7Y61 G62 F66Y61-G64 PolarHBondContact O-N 2.89Å; G62-G64 PolarHBondContact O-N 2.96Å; G64-F66 VanDerWaalsContact C-N 3.27Å; G64-F66 PolarHBondContact O-N 3.33Å
65Q88.9Confident90.1Very high144 Ų14476 Ų7667%0.67340%0.399SS*.G310 helixtrans-78.2-9.4175.4-55-55.3-60.300113.3G62 P63 P67G62-Q65 WeakPolarHBondContact O-CB 3.4Å; G62-Q65 PolarHBondContact O-N 2.91Å; P63-Q65 PolarHBondContact O-N 3.24Å; Q65-P67 WeakPolarHBondContact O-CD 3.4Å
66F90.7Very high89.7Confident127 Ų12779.3 Ų79.356%0.55741%0.412SS*.  trans-115.895.9-178.4-59.9-83.7000110.6G62 P63 G64 T68 L69G62-F66 WeakPolarHBondContact O-CD2 3.15Å; P63-F66 PolarHBondContact O-N 2.98Å; P63-F66 VanDerWaalsContact O-N 3.12Å; G64-F66 VanDerWaalsContact C-N 3.27Å; G64-F66 PolarHBondContact O-N 3.33Å; F66-T68 PolarHBondContact O-N 3.41Å; F66-T68 VanDerWaalsContact O-N 3.12Å; F66-L69 HydrophobicContact CB-CD1 3.95Å; F66-L69 HydrophobicContact CB-CG 4.03Å; F66-L69 HydrophobicContact CD2-CD1 4.42Å; F66-L69 WeakPolarHBondContact O-CB 3.28Å; F66-L69 PolarHBondContact O-N 3.44Å
67P85.6Confident89.1Confident89 Ų8985 Ų8558%0.57844%0.438SS*.Hα-helixtrans-55.1-33.1-178.5-27.234.9000113.9Q65 L69 Q70Q65-P67 WeakPolarHBondContact O-CD 3.4Å; P67-L69 PolarHBondContact O-N 2.93Å; P67-Q70 VanDerWaalsContact O-CB 3.27Å; P67-Q70 WeakPolarHBondContact O-CB 3.38Å; P67-Q70 PolarHBondContact O-N 3.17Å
68T89.2Confident88.6Confident85 Ų8585.3 Ų85.352%0.52144%0.443SS..Hα-helixtrans-59.2-28177.6-450000113.4F66 Q70 E71 Y72F66-T68 PolarHBondContact O-N 3.41Å; F66-T68 VanDerWaalsContact O-N 3.12Å; T68-Q70 VanDerWaalsContact C-N 3.27Å; T68-Q70 PolarHBondContact O-N 2.89Å; T68-E71 WeakPolarHBondContact O-CB 3.46Å; T68-E71 PolarHBondContact O-N 3.27Å; T68-Y72 WeakPolarHBondContact O-CD2 3.25Å
69L84.5Confident88.2Confident48 Ų4881.6 Ų81.625%0.25142%0.423SS..Hα-helixtrans-71.7-24.6176.6-66.7178.4000112.3P63 F66 P67 E71 Y72 L75P63-L69 HydrophobicContact CB-CD1 4.16Å; F66-L69 HydrophobicContact CB-CD1 3.95Å; F66-L69 HydrophobicContact CB-CG 4.03Å; F66-L69 HydrophobicContact CD2-CD1 4.42Å; F66-L69 WeakPolarHBondContact O-CB 3.28Å; F66-L69 PolarHBondContact O-N 3.44Å; P67-L69 PolarHBondContact O-N 2.93Å; L69-E71 PolarHBondContact O-N 3.32Å; L69-Y72 PolarHBondContact O-N 3.47Å; L69-L75 HydrophobicContact CD2-CD2 4.07Å
70Q83.9Confident87.8Confident93 Ų9382.4 Ų82.444%0.43543%0.432SS..Hα-helixtrans-72.3-18.4178.2-55176900111.8P67 T68 Y72 W76P67-Q70 VanDerWaalsContact O-CB 3.27Å; P67-Q70 WeakPolarHBondContact O-CB 3.38Å; P67-Q70 PolarHBondContact O-N 3.17Å; T68-Q70 VanDerWaalsContact C-N 3.27Å; T68-Q70 PolarHBondContact O-N 2.89Å; Q70-Y72 PolarHBondContact O-N 3.48Å; Q70-W76 HydrophobicContact CB-CD2 4.45Å; Q70-W76 HydrophobicContact CG-CD2 3.94Å; Q70-W76 HydrophobicContact CG-CE3 3.88Å; Q70-W76 HydrophobicContact CG-CH2 4.15Å; Q70-W76 HydrophobicContact CG-CZ2 4.18Å; Q70-W76 HydrophobicContact CG-CZ3 3.99Å
71E88.9Confident87.7Confident143 Ų14383.6 Ų83.667%0.66844%0.439SS*.THydrogen-bonded Turntrans-71.9-14.7174.2-60.5177-173.200112.9T68 L69 P73T68-E71 WeakPolarHBondContact O-CB 3.46Å; T68-E71 PolarHBondContact O-N 3.27Å; L69-E71 PolarHBondContact O-N 3.32Å; E71-P73 VanDerWaalsContact O-CD 3.3Å; E71-P73 WeakPolarHBondContact O-CD 3.07Å
72Y90.6Very high87.8Confident143 Ų14379.7 Ų79.756%0.56143%0.428SS*.  trans-105.490.4177.1-64.4-83.5000110T68 L69 Q70 A74 L75 W76T68-Y72 WeakPolarHBondContact O-CD2 3.25Å; L69-Y72 PolarHBondContact O-N 3.47Å; Q70-Y72 PolarHBondContact O-N 3.48Å; Y72-A74 VanDerWaalsContact C-N 3.31Å; Y72-A74 PolarHBondContact O-N 3Å; Y72-L75 PolarHBondContact O-N 3.1Å; Y72-L75 VanDerWaalsContact O-N 3.11Å; Y72-W76 WeakPolarHBondContact O-CB 3.33Å; Y72-W76 PolarHBondContact O-N 2.91Å
73P84.8Confident88Confident101 Ų10182.2 Ų82.266%0.65643%0.431SS*.Hα-helixtrans-63.2-36.5-165.4-21.734.1000113.1E71 H77E71-P73 VanDerWaalsContact O-CD 3.3Å; E71-P73 WeakPolarHBondContact O-CD 3.07Å; P73-H77 VanDerWaalsContact O-CB 3.31Å; P73-H77 WeakPolarHBondContact O-CB 3.49Å; P73-H77 PolarHBondContact O-N 3.47Å
74A87.5Confident88.3Confident76 Ų7683 Ų8363%0.62843%0.434SS*.Hα-helixtrans-66.6-42.7178.600000112.1Y72 L78Y72-A74 VanDerWaalsContact C-N 3.31Å; Y72-A74 PolarHBondContact O-N 3Å; A74-L78 WeakPolarHBondContact O-CG 3.45Å; A74-L78 PolarHBondContact O-N 3.23Å
75L86.2Confident88.7Confident76 Ų7681.5 Ų81.540%0.39842%0.419SS..Hα-helixtrans-70.4-41.9177.8-17864.1000110.8L69 Y72 L78 L79L69-L75 HydrophobicContact CD2-CD2 4.07Å; Y72-L75 PolarHBondContact O-N 3.1Å; Y72-L75 VanDerWaalsContact O-N 3.11Å; L75-L78 PolarHBondContact O-N 3.14Å; L75-L79 HydrophobicContact CD1-CD1 4.04Å; L75-L79 HydrophobicContact CD1-CG 4.34Å; L75-L79 HydrophobicContact CD2-CD1 4.47Å; L75-L79 HydrophobicContact CG-CD1 3.9Å; L75-L79 HydrophobicContact CG-CG 4.5Å; L75-L79 WeakPolarHBondContact O-CG 3.3Å; L75-L79 PolarHBondContact O-N 3.21Å
76W87.2Confident89.1Confident78 Ų7874.7 Ų74.730%0.29539%0.387SS..Hα-helixtrans-62.6-43.7177.5-177.3-111000111.9P63 Q70 Y72 L78 L79 S80P63-W76 HydrophobicContact CB-CZ3 4.16Å; Q70-W76 HydrophobicContact CB-CD2 4.45Å; Q70-W76 HydrophobicContact CG-CD2 3.94Å; Q70-W76 HydrophobicContact CG-CE3 3.88Å; Q70-W76 HydrophobicContact CG-CH2 4.15Å; Q70-W76 HydrophobicContact CG-CZ2 4.18Å; Q70-W76 HydrophobicContact CG-CZ3 3.99Å; Y72-W76 WeakPolarHBondContact O-CB 3.33Å; Y72-W76 PolarHBondContact O-N 2.91Å; W76-L78 VanDerWaalsContact C-N 3.28Å; W76-L78 PolarHBondContact O-N 2.93Å; W76-L79 PolarHBondContact O-N 3Å; W76-S80 WeakPolarHBondContact O-CB 3.5Å; W76-S80 PolarHBondContact O-N 3.46Å; W76-S80 PolarHBondContact O-OG 3.1Å; W76-S80 VanDerWaalsContact O-OG 3.05Å
77H85.2Confident89.4Confident120 Ų12069.7 Ų69.756%0.55637%0.366SS*.Hα-helixtrans-54.8-46.5175.2-176.7-73.9000111.2P73 S80 E81P73-H77 VanDerWaalsContact O-CB 3.31Å; P73-H77 WeakPolarHBondContact O-CB 3.49Å; P73-H77 PolarHBondContact O-N 3.47Å; H77-S80 PolarHBondContact O-N 3.38Å; H77-S80 PolarHBondContact O-OG 2.63Å; H77-E81 PolarHBondContact O-N 2.99Å
78L84.5Confident90Very high86 Ų8667.9 Ų67.945%0.4535%0.35SS..Hα-helixtrans-64.6-41.8178.2-66.1170.6000112.6A74 L75 W76 L84A74-L78 WeakPolarHBondContact O-CG 3.45Å; A74-L78 PolarHBondContact O-N 3.23Å; L75-L78 PolarHBondContact O-N 3.14Å; W76-L78 VanDerWaalsContact C-N 3.28Å; W76-L78 PolarHBondContact O-N 2.93Å; L78-L84 HydrophobicContact CB-CD2 3.75Å; L78-L84 HydrophobicContact CD2-CD2 3.48Å; L78-L84 VanDerWaalsContact CD2-CD2 3.48Å; L78-L84 HydrophobicContact CG-CD2 4.2Å; L78-L84 WeakPolarHBondContact O-CD2 3.2Å
79L85.9Confident90.4Very high37 Ų3763.8 Ų63.819%0.19433%0.326CS..Hα-helixtrans-80.5-15.5-178.6-67175.7000113.8P63 L75 W76 C85P63-L79 HydrophobicContact CB-CB 4.09Å; P63-L79 HydrophobicContact CB-CD1 3.94Å; P63-L79 HydrophobicContact CG-CB 4.12Å; P63-L79 HydrophobicContact CG-CD1 4.02Å; P63-L79 HydrophobicContact CG-CD2 4.26Å; P63-L79 HydrophobicContact CG-CG 4.36Å; L75-L79 HydrophobicContact CD1-CD1 4.04Å; L75-L79 HydrophobicContact CD1-CG 4.34Å; L75-L79 HydrophobicContact CD2-CD1 4.47Å; L75-L79 HydrophobicContact CG-CD1 3.9Å; L75-L79 HydrophobicContact CG-CG 4.5Å; L75-L79 WeakPolarHBondContact O-CG 3.3Å; L75-L79 PolarHBondContact O-N 3.21Å; W76-L79 PolarHBondContact O-N 3Å; L79-C85 PolarHBondContact O-SG 3.14Å
80S85.3Confident91Very high51 Ų5161.7 Ų61.736%0.35731%0.314SS..Hα-helixtrans-89.2-17.7178.670.40000113.4W76 H77 P82W76-S80 WeakPolarHBondContact O-CB 3.5Å; W76-S80 PolarHBondContact O-N 3.46Å; W76-S80 PolarHBondContact O-OG 3.1Å; W76-S80 VanDerWaalsContact O-OG 3.05Å; H77-S80 PolarHBondContact O-N 3.38Å; H77-S80 PolarHBondContact O-OG 2.63Å; S80-P82 VanDerWaalsContact O-CD 3.3Å; S80-P82 WeakPolarHBondContact O-CD 3.48Å
81E92.5Very high91.7Very high77 Ų7757.3 Ų57.336%0.3629%0.294SS..  trans-80.6114.9-176.6-170-179.9166.100111H77 W83 L84 C85H77-E81 PolarHBondContact O-N 2.99Å; E81-W83 HydrophobicContact CG-CB 4.41Å; E81-W83 PolarHBondContact O-N 3.47Å; E81-W83 VanDerWaalsContact O-N 3.15Å; E81-L84 HydrophobicContact CB-CB 4.28Å; E81-L84 PolarHBondContact O-N 2.94Å; E81-L84 VanDerWaalsContact O-N 3.11Å; E81-C85 PolarHBondContact O-N 3.43Å; E81-C85 VanDerWaalsContact O-N 3.08Å; E81-C85 PolarHBondContact O-SG 3.47Å
82P94.1Very high92.1Very high30 Ų3052.5 Ų52.520%0.19527%0.273CS..Hα-helixtrans-57.8-35-176.6-23.731.4000113.8Y60 S80 A86 I160 L162Y60-P82 HydrophobicContact CE2-CB 4Å; Y60-P82 HydrophobicContact CE2-CG 3.71Å; S80-P82 VanDerWaalsContact O-CD 3.3Å; S80-P82 WeakPolarHBondContact O-CD 3.48Å; P82-A86 WeakPolarHBondContact O-CB 3.31Å; P82-A86 PolarHBondContact O-N 2.83Å; P82-I160 HydrophobicContact CB-CD1 4.25Å; P82-I160 WeakPolarHBondContact CB-O 3.32Å; P82-I160 WeakPolarHBondContact O-CD1 3.21Å; P82-L162 HydrophobicContact CB-CB 4.19Å; P82-L162 HydrophobicContact CB-CD1 4.46Å
83W96.2Very high92.5Very high74 Ų7446.3 Ų46.328%0.2825%0.25SC..Hα-helixtrans-64.6-43.6179.7-173.791.4000111.7A13 E81 A86 L87 L162A13-W83 HydrophobicContact CB-CH2 4.31Å; A13-W83 HydrophobicContact CB-CZ2 4.45Å; E81-W83 HydrophobicContact CG-CB 4.41Å; E81-W83 PolarHBondContact O-N 3.47Å; E81-W83 VanDerWaalsContact O-N 3.15Å; W83-A86 PolarHBondContact O-N 3.22Å; W83-L87 HydrophobicContact CE3-CD1 4.49Å; W83-L87 HydrophobicContact CH2-CD1 3.4Å; W83-L87 HydrophobicContact CZ2-CD1 4.14Å; W83-L87 HydrophobicContact CZ3-CD1 3.61Å; W83-L87 WeakPolarHBondContact O-CB 3.29Å; W83-L87 PolarHBondContact O-N 3.49Å; W83-L162 HydrophobicContact CB-CD1 3.94Å; W83-L162 HydrophobicContact CB-CD2 4.39Å
84L95.5Very high93.1Very high34 Ų3441.6 Ų41.618%0.17822%0.219CC..Hα-helixtrans-70.8-39.6178.9-176.154.3000111.5L78 E81 A86 L87 I88L78-L84 HydrophobicContact CB-CD2 3.75Å; L78-L84 HydrophobicContact CD2-CD2 3.48Å; L78-L84 VanDerWaalsContact CD2-CD2 3.48Å; L78-L84 HydrophobicContact CG-CD2 4.2Å; L78-L84 WeakPolarHBondContact O-CD2 3.2Å; E81-L84 HydrophobicContact CB-CB 4.28Å; E81-L84 PolarHBondContact O-N 2.94Å; E81-L84 VanDerWaalsContact O-N 3.11Å; L84-A86 VanDerWaalsContact C-N 3.34Å; L84-A86 PolarHBondContact O-N 2.93Å; L84-L87 HydrophobicContact CD1-CD2 4.15Å; L84-L87 PolarHBondContact O-N 3.33Å; L84-I88 HydrophobicContact CD1-CD1 4.18Å; L84-I88 HydrophobicContact CD1-CG1 4.19Å; L84-I88 HydrophobicContact CG-CD1 3.96Å; L84-I88 HydrophobicContact CG-CG1 4.44Å; L84-I88 VanDerWaalsContact O-CG1 3.26Å; L84-I88 WeakPolarHBondContact O-CG1 3.4Å; L84-I88 PolarHBondContact O-N 3.41Å
85C95.9Very high93.6Very high0 Ų038 Ų380%019%0.189CC..Hα-helixtrans-58.2-45.7173.2-67.10000112I59 Y60 L79 E81 I88 A89 I160I59-C85 HydrophobicContact CG2-CB 3.89Å; Y60-C85 HydrophobicContact CD2-CB 4.13Å; L79-C85 PolarHBondContact O-SG 3.14Å; E81-C85 PolarHBondContact O-N 3.43Å; E81-C85 VanDerWaalsContact O-N 3.08Å; E81-C85 PolarHBondContact O-SG 3.47Å; C85-I88 PolarHBondContact O-N 2.65Å; C85-A89 WeakPolarHBondContact O-CB 3.34Å; C85-A89 PolarHBondContact O-N 2.64Å; C85-I160 HydrophobicContact CB-CD1 4.2Å
86A97.2Very high94.2Very high0 Ų034.3 Ų34.30%017%0.17CC..Hα-helixtrans-62.4-43.6175.700000111.7L10 P82 W83 L84 I88 A89 L90 A157 I160 L162L10-A86 HydrophobicContact CD1-CB 4.11Å; L10-A86 HydrophobicContact CD2-CB 3.94Å; P82-A86 WeakPolarHBondContact O-CB 3.31Å; P82-A86 PolarHBondContact O-N 2.83Å; W83-A86 PolarHBondContact O-N 3.22Å; L84-A86 VanDerWaalsContact C-N 3.34Å; L84-A86 PolarHBondContact O-N 2.93Å; A86-I88 PolarHBondContact O-N 2.92Å; A86-A89 PolarHBondContact O-N 2.86Å; A86-L90 WeakPolarHBondContact O-CB 3.08Å; A86-L90 WeakPolarHBondContact O-CD1 3.15Å; A86-L90 VanDerWaalsContact O-CG 3.29Å; A86-L90 WeakPolarHBondContact O-CG 3.26Å; A86-L90 PolarHBondContact O-N 3.32Å; A86-A157 HydrophobicContact CB-CB 3.99Å; A86-I160 HydrophobicContact CB-CD1 4.28Å; A86-L162 HydrophobicContact CB-CD2 4.01Å
87L97.6Very high94.7Very high22 Ų2234.6 Ų34.612%0.11517%0.171CC..Hα-helixtrans-59.6-47.1177.4178.2149.2000110.9L10 A13 W83 L84 S91L10-L87 HydrophobicContact CD1-CB 3.81Å; A13-L87 HydrophobicContact CB-CD1 3.6Å; W83-L87 HydrophobicContact CE3-CD1 4.49Å; W83-L87 HydrophobicContact CH2-CD1 3.4Å; W83-L87 HydrophobicContact CZ2-CD1 4.14Å; W83-L87 HydrophobicContact CZ3-CD1 3.61Å; W83-L87 WeakPolarHBondContact O-CB 3.29Å; W83-L87 PolarHBondContact O-N 3.49Å; L84-L87 HydrophobicContact CD1-CD2 4.15Å; L84-L87 PolarHBondContact O-N 3.33Å; L87-S91 WeakPolarHBondContact O-CB 3.45Å; L87-S91 PolarHBondContact O-N 3.47Å; L87-S91 PolarHBondContact O-OG 2.98Å
88I96.6Very high95.3Very high51 Ų5129 Ų2926%0.26215%0.145SC..Hα-helixtrans-61.1-50.1179.5-68.8166.4000109.7I59 L84 C85 A86 L90 S91 L92I59-I88 HydrophobicContact CD1-CG2 4.11Å; I59-I88 HydrophobicContact CG2-CG2 4.45Å; L84-I88 HydrophobicContact CD1-CD1 4.18Å; L84-I88 HydrophobicContact CD1-CG1 4.19Å; L84-I88 HydrophobicContact CG-CD1 3.96Å; L84-I88 HydrophobicContact CG-CG1 4.44Å; L84-I88 VanDerWaalsContact O-CG1 3.26Å; L84-I88 WeakPolarHBondContact O-CG1 3.4Å; L84-I88 PolarHBondContact O-N 3.41Å; C85-I88 PolarHBondContact O-N 2.65Å; A86-I88 PolarHBondContact O-N 2.92Å; I88-L90 PolarHBondContact O-N 2.87Å; I88-S91 PolarHBondContact O-N 2.88Å; I88-L92 HydrophobicContact CG2-CD1 3.6Å; I88-L92 HydrophobicContact CG2-CG 4.25Å; I88-L92 WeakPolarHBondContact O-CB 3.24Å; I88-L92 WeakPolarHBondContact O-CG 3.49Å; I88-L92 PolarHBondContact O-N 2.62Å
89A97.7Very high95.8Very high0 Ų024.9 Ų24.90%012%0.124CC..Hα-helixtrans-58.8-50.3-179.800000112.1L52 I56 I59 C85 A86 L92 N93L52-A89 HydrophobicContact CD1-CB 4.25Å; I56-A89 HydrophobicContact CB-CB 4.4Å; I56-A89 HydrophobicContact CG1-CB 3.52Å; I59-A89 HydrophobicContact CD1-CB 3.65Å; C85-A89 WeakPolarHBondContact O-CB 3.34Å; C85-A89 PolarHBondContact O-N 2.64Å; A86-A89 PolarHBondContact O-N 2.86Å; A89-L92 PolarHBondContact O-N 2.7Å; A89-N93 VanDerWaalsContact O-CB 3.25Å; A89-N93 WeakPolarHBondContact O-CB 3.38Å; A89-N93 PolarHBondContact O-N 2.87Å
90L98.1Very high96.3Very high3 Ų327.3 Ų27.32%0.01613%0.134CC..Hα-helixtrans-63.2-43179.4-72.8165.8000112L10 S14 L52 A86 I88 S94 T154L10-L90 HydrophobicContact CD1-CD1 4.1Å; L10-L90 HydrophobicContact CD2-CD1 3.59Å; L10-L90 HydrophobicContact CG-CD1 3.59Å; S14-L90 WeakPolarHBondContact OG-CB 3.12Å; L52-L90 HydrophobicContact CD1-CD2 4.48Å; L52-L90 HydrophobicContact CD2-CD2 3.7Å; A86-L90 WeakPolarHBondContact O-CB 3.08Å; A86-L90 WeakPolarHBondContact O-CD1 3.15Å; A86-L90 VanDerWaalsContact O-CG 3.29Å; A86-L90 WeakPolarHBondContact O-CG 3.26Å; A86-L90 PolarHBondContact O-N 3.32Å; I88-L90 PolarHBondContact O-N 2.87Å; L90-S94 VanDerWaalsContact O-CB 3.24Å; L90-S94 WeakPolarHBondContact O-CB 3.44Å; L90-S94 PolarHBondContact O-N 2.93Å; L90-T154 HydrophobicContact CD1-CG2 4.09Å
91S98.3Very high96.8Very high2 Ų226.8 Ų26.81%0.01413%0.127CC..Hα-helixtrans-63.9-45.6179.7-59.30000111.5S14 L87 I88 A95S14-S91 WeakPolarHBondContact CA-OG 3.14Å; L87-S91 WeakPolarHBondContact O-CB 3.45Å; L87-S91 PolarHBondContact O-N 3.47Å; L87-S91 PolarHBondContact O-OG 2.98Å; I88-S91 PolarHBondContact O-N 2.88Å; S91-A95 WeakPolarHBondContact O-CB 3.32Å; S91-A95 PolarHBondContact O-N 3.35Å
92L98.2Very high96.9Very high42 Ų4223.6 Ų23.622%0.2211%0.112CC..Hα-helixtrans-69.9-42.9-177.9-63.4173.4000111.2L21 Y43 F47 I88 A89 A95 A96L21-L92 HydrophobicContact CD1-CD2 4.06Å; Y43-L92 HydrophobicContact CE2-CB 4.32Å; Y43-L92 HydrophobicContact CE2-CD2 3.91Å; Y43-L92 WeakPolarHBondContact OH-CA 3.48Å; Y43-L92 WeakPolarHBondContact OH-CB 3.35Å; Y43-L92 PolarHBondContact OH-O 3.28Å; F47-L92 HydrophobicContact CD1-CB 3.68Å; F47-L92 HydrophobicContact CD2-CB 4.49Å; F47-L92 HydrophobicContact CE1-CB 3.42Å; F47-L92 VanDerWaalsContact CE1-CB 3.42Å; F47-L92 HydrophobicContact CE1-CD1 3.77Å; F47-L92 HydrophobicContact CE1-CG 4.23Å; F47-L92 HydrophobicContact CE2-CB 4.28Å; F47-L92 HydrophobicContact CE2-CD1 4.36Å; F47-L92 HydrophobicContact CG-CB 4.24Å; F47-L92 HydrophobicContact CZ-CB 3.76Å; F47-L92 HydrophobicContact CZ-CD1 3.51Å; F47-L92 HydrophobicContact CZ-CG 4.2Å; I88-L92 HydrophobicContact CG2-CD1 3.6Å; I88-L92 HydrophobicContact CG2-CG 4.25Å; I88-L92 WeakPolarHBondContact O-CB 3.24Å; I88-L92 WeakPolarHBondContact O-CG 3.49Å; I88-L92 PolarHBondContact O-N 2.62Å; A89-L92 PolarHBondContact O-N 2.7Å; L92-A95 PolarHBondContact O-N 3.41Å; L92-A96 PolarHBondContact O-N 3.28Å; L92-A96 VanDerWaalsContact O-N 3.14Å
93N98.2Very high96.9Very high13 Ų1324.2 Ų24.27%0.0711%0.111CC..Hα-helixtrans-58.4-54.4175-167.2-87.8000111.6F47 L52 Q55 A89 A95 A96 Y97F47-N93 PolarHBondContact O-ND2 2.68Å; F47-N93 VanDerWaalsContact O-ND2 3.15Å; L52-N93 HydrophobicContact CD1-CB 3.77Å; Q55-N93 PolarHBondContact NE2-ND2 3.16Å; Q55-N93 VanDerWaalsContact NE2-ND2 3.14Å; Q55-N93 PolarHBondContact OE1-ND2 3.35Å; A89-N93 VanDerWaalsContact O-CB 3.25Å; A89-N93 WeakPolarHBondContact O-CB 3.38Å; A89-N93 PolarHBondContact O-N 2.87Å; N93-A95 VanDerWaalsContact C-N 3.33Å; N93-A95 PolarHBondContact O-N 3.36Å; N93-A96 WeakPolarHBondContact O-CB 3.3Å; N93-A96 PolarHBondContact O-N 3.35Å; N93-A96 VanDerWaalsContact O-N 3.1Å; N93-Y97 WeakPolarHBondContact O-CD2 3.12Å; N93-Y97 PolarHBondContact O-N 2.98Å; N93-Y97 WeakPolarHBondContact OD1-CD2 3.31Å; N93-Y97 VanDerWaalsContact OD1-CE2 3.31Å; N93-Y97 WeakPolarHBondContact OD1-CE2 3.16Å
94S98Very high96.7Very high1 Ų122.4 Ų22.41%0.00712%0.116CC..Hα-helixtrans-67.7-33.5-177.4-168.60000112.4L90 A96 Y97 T98 E146 V150L90-S94 VanDerWaalsContact O-CB 3.24Å; L90-S94 WeakPolarHBondContact O-CB 3.44Å; L90-S94 PolarHBondContact O-N 2.93Å; S94-A96 VanDerWaalsContact C-N 3.28Å; S94-A96 PolarHBondContact O-N 2.88Å; S94-Y97 PolarHBondContact O-N 3.41Å; S94-T98 WeakPolarHBondContact O-CB 3.43Å; S94-T98 PolarHBondContact O-N 3.48Å; S94-T98 PolarHBondContact O-OG1 3.42Å; S94-E146 WeakPolarHBondContact CA-OE1 3.29Å; S94-E146 WeakPolarHBondContact CB-OE1 3.42Å; S94-E146 PolarHBondContact OG-OE1 3.04Å; S94-V150 VanDerWaalsContact OG-CG2 3.26Å; S94-V150 WeakPolarHBondContact OG-CG2 3.43Å
95A98.4Very high96.7Very high0 Ų021.3 Ų21.30%011%0.111CC..Hα-helixtrans-60.3-38.8172.600000111.8A18 L21 S91 L92 N93 T99A18-A95 HydrophobicContact CB-CB 4.3Å; L21-A95 HydrophobicContact CB-CB 3.74Å; L21-A95 HydrophobicContact CD1-CB 4.2Å; S91-A95 WeakPolarHBondContact O-CB 3.32Å; S91-A95 PolarHBondContact O-N 3.35Å; L92-A95 PolarHBondContact O-N 3.41Å; N93-A95 VanDerWaalsContact C-N 3.33Å; N93-A95 PolarHBondContact O-N 3.36Å; A95-T99 VanDerWaalsContact O-CB 3.26Å; A95-T99 WeakPolarHBondContact O-CB 3.26Å; A95-T99 PolarHBondContact O-N 3.1Å; A95-T99 PolarHBondContact O-OG1 2.96Å
96A98.2Very high96.5Very high0 Ų021.6 Ų21.60%011%0.113CC..Hα-helixtrans-66.7-48.4179.200000111.6Y43 F47 T48 L92 N93 S94 T99 Q100Y43-A96 HydrophobicContact CE1-CB 3.85Å; F47-A96 HydrophobicContact CB-CB 3.7Å; T48-A96 HydrophobicContact CG2-CB 3.78Å; L92-A96 PolarHBondContact O-N 3.28Å; L92-A96 VanDerWaalsContact O-N 3.14Å; N93-A96 WeakPolarHBondContact O-CB 3.3Å; N93-A96 PolarHBondContact O-N 3.35Å; N93-A96 VanDerWaalsContact O-N 3.1Å; S94-A96 VanDerWaalsContact C-N 3.28Å; S94-A96 PolarHBondContact O-N 2.88Å; A96-T99 PolarHBondContact O-N 3.34Å; A96-Q100 PolarHBondContact O-N 3.21Å; A96-Q100 VanDerWaalsContact O-N 3.1Å
97Y97.6Very high96.2Very high84 Ų8430.5 Ų30.533%0.32915%0.146SC..Hα-helixtrans-64.6-44.4176-74.8-71.8000112.3T48 N93 S94 T99 Q100 L101T48-Y97 HydrophobicContact CG2-CD1 4.06Å; T48-Y97 HydrophobicContact CG2-CD2 4.38Å; T48-Y97 HydrophobicContact CG2-CE1 3.93Å; T48-Y97 HydrophobicContact CG2-CE2 4.25Å; T48-Y97 HydrophobicContact CG2-CG 4.28Å; T48-Y97 PolarHBondContact O-OH 3.48Å; N93-Y97 WeakPolarHBondContact O-CD2 3.12Å; N93-Y97 PolarHBondContact O-N 2.98Å; N93-Y97 WeakPolarHBondContact OD1-CD2 3.31Å; N93-Y97 VanDerWaalsContact OD1-CE2 3.31Å; N93-Y97 WeakPolarHBondContact OD1-CE2 3.16Å; S94-Y97 PolarHBondContact O-N 3.41Å; Y97-T99 VanDerWaalsContact C-N 3.32Å; Y97-T99 PolarHBondContact O-N 3Å; Y97-Q100 PolarHBondContact O-N 3.35Å; Y97-L101 WeakPolarHBondContact O-CB 3.46Å; Y97-L101 PolarHBondContact O-N 3.09Å
98T96.6Very high95.9Very high1 Ų131.7 Ų31.71%0.00616%0.16CC..Hα-helixtrans-62.8-38.3177.3-59.30000111.5A22 S94 L101 F102 Y143A22-T98 HydrophobicContact CB-CG2 3.49Å; A22-T98 VanDerWaalsContact CB-CG2 3.49Å; S94-T98 WeakPolarHBondContact O-CB 3.43Å; S94-T98 PolarHBondContact O-N 3.48Å; S94-T98 PolarHBondContact O-OG1 3.42Å; T98-L101 WeakPolarHBondContact O-CB 3.24Å; T98-L101 PolarHBondContact O-N 2.84Å; T98-F102 HydrophobicContact CG2-CD1 4.41Å; T98-F102 HydrophobicContact CG2-CD2 3.79Å; T98-F102 HydrophobicContact CG2-CE1 4.08Å; T98-F102 HydrophobicContact CG2-CE2 3.43Å; T98-F102 VanDerWaalsContact CG2-CE2 3.43Å; T98-F102 HydrophobicContact CG2-CG 4.28Å; T98-F102 HydrophobicContact CG2-CZ 3.58Å; T98-F102 WeakPolarHBondContact O-CB 3.41Å; T98-F102 WeakPolarHBondContact O-CG 2.94Å; T98-F102 PolarHBondContact O-N 3.29Å; T98-Y143 HydrophobicContact CG2-CD2 3.89Å; T98-Y143 HydrophobicContact CG2-CE2 3.79Å
99T96.5Very high95.7Very high0 Ų029.6 Ų29.60%015%0.149CC..Hα-helixtrans-62.5-46.6174.3-58.90000111.4A22 F25 L29 I44 A95 A96 Y97 L101 F102 Y103A22-T99 WeakPolarHBondContact CA-OG1 3.39Å; F25-T99 HydrophobicContact CB-CG2 3.59Å; F25-T99 WeakPolarHBondContact CB-OG1 3.32Å; L29-T99 HydrophobicContact CD1-CG2 3.75Å; I44-T99 HydrophobicContact CD1-CG2 3.74Å; A95-T99 VanDerWaalsContact O-CB 3.26Å; A95-T99 WeakPolarHBondContact O-CB 3.26Å; A95-T99 PolarHBondContact O-N 3.1Å; A95-T99 PolarHBondContact O-OG1 2.96Å; A96-T99 PolarHBondContact O-N 3.34Å; Y97-T99 VanDerWaalsContact C-N 3.32Å; Y97-T99 PolarHBondContact O-N 3Å; T99-L101 VanDerWaalsContact C-N 3.27Å; T99-L101 PolarHBondContact O-N 3.24Å; T99-F102 PolarHBondContact O-N 3.46Å; T99-Y103 WeakPolarHBondContact O-CB 3.45Å; T99-Y103 PolarHBondContact O-N 3.4Å
100Q95.4Very high95.4Very high88 Ų8833 Ų3341%0.41117%0.171SC..Hα-helixtrans-60.4-40.9177-73.3-175.1-9.400111.4I44 A96 Y97 G104I44-Q100 HydrophobicContact CG2-CG 3.74Å; A96-Q100 PolarHBondContact O-N 3.21Å; A96-Q100 VanDerWaalsContact O-N 3.1Å; Y97-Q100 PolarHBondContact O-N 3.35Å; Q100-G104 WeakPolarHBondContact O-CA 3.41Å; Q100-G104 PolarHBondContact O-N 3.47Å
101L95.2Very high95Very high41 Ų4140 Ų4022%0.21520%0.204CC..Hα-helixtrans-62-53.7177.4172.761.9000111.8Y97 T98 T99 G104 A105 Y143Y97-L101 WeakPolarHBondContact O-CB 3.46Å; Y97-L101 PolarHBondContact O-N 3.09Å; T98-L101 WeakPolarHBondContact O-CB 3.24Å; T98-L101 PolarHBondContact O-N 2.84Å; T99-L101 VanDerWaalsContact C-N 3.27Å; T99-L101 PolarHBondContact O-N 3.24Å; L101-G104 PolarHBondContact O-N 2.94Å; L101-A105 WeakPolarHBondContact O-CB 3.33Å; L101-A105 PolarHBondContact O-N 3.47Å; L101-Y143 VanDerWaalsContact CD2-N 3.33Å
102F94.8Very high94.7Very high10 Ų1041.6 Ų41.64%0.04422%0.221CC..Hα-helixtrans-66.9-44.3-177.7-71-9.9000112.1L19 A22 L23 T26 T98 T99 G104 A105 I106 F136 S139 Y143L19-F102 HydrophobicContact CD1-CE2 3.72Å; L19-F102 HydrophobicContact CD1-CZ 3.93Å; A22-F102 HydrophobicContact CB-CD2 4.45Å; L23-F102 HydrophobicContact CD2-CD2 4.35Å; L23-F102 HydrophobicContact CD2-CE2 4.16Å; T26-F102 HydrophobicContact CG2-CB 3.93Å; T26-F102 WeakPolarHBondContact OG1-CB 3.49Å; T98-F102 HydrophobicContact CG2-CD1 4.41Å; T98-F102 HydrophobicContact CG2-CD2 3.79Å; T98-F102 HydrophobicContact CG2-CE1 4.08Å; T98-F102 HydrophobicContact CG2-CE2 3.43Å; T98-F102 VanDerWaalsContact CG2-CE2 3.43Å; T98-F102 HydrophobicContact CG2-CG 4.28Å; T98-F102 HydrophobicContact CG2-CZ 3.58Å; T98-F102 WeakPolarHBondContact O-CB 3.41Å; T98-F102 WeakPolarHBondContact O-CG 2.94Å; T98-F102 PolarHBondContact O-N 3.29Å; T99-F102 PolarHBondContact O-N 3.46Å; F102-G104 VanDerWaalsContact C-N 3.31Å; F102-G104 PolarHBondContact O-N 2.92Å; F102-A105 WeakPolarHBondContact O-CB 3.42Å; F102-A105 PolarHBondContact O-N 3.06Å; F102-I106 WeakPolarHBondContact O-CG1 3.37Å; F102-I106 PolarHBondContact O-N 3.25Å; F102-F136 HydrophobicContact CB-CD1 4.34Å; F102-F136 HydrophobicContact CB-CE1 3.85Å; F102-F136 AromaticContact CD1-CD1 3.88Å; F102-F136 HydrophobicContact CD1-CD1 3.88Å; F102-F136 HydrophobicContact CD1-CE1 4.11Å; F102-F136 AromaticContact CD2-CD1 3.95Å; F102-F136 HydrophobicContact CD2-CD1 3.95Å; F102-F136 AromaticContact CD2-CE1 3.39Å; F102-F136 HydrophobicContact CD2-CE1 3.39Å; F102-F136 HydrophobicContact CD2-CZ 4.36Å; F102-F136 HydrophobicContact CE1-CD1 4.1Å; F102-F136 HydrophobicContact CE2-CD1 4.14Å; F102-F136 AromaticContact CE2-CE1 3.84Å; F102-F136 HydrophobicContact CE2-CE1 3.84Å; F102-F136 AromaticContact CG-CD1 3.81Å; F102-F136 HydrophobicContact CG-CD1 3.81Å; F102-F136 AromaticContact CG-CE1 3.53Å; F102-F136 HydrophobicContact CG-CE1 3.53Å; F102-F136 HydrophobicContact CZ-CD1 4.22Å; F102-F136 HydrophobicContact CZ-CE1 4.39Å; F102-S139 VanDerWaalsContact CD1-OG 3.28Å; F102-S139 WeakPolarHBondContact CD1-OG 3.34Å; F102-S139 VanDerWaalsContact CE1-OG 3.32Å; F102-S139 WeakPolarHBondContact CE1-OG 3.43Å; F102-Y143 HydrophobicContact CE1-CD2 4.22Å; F102-Y143 HydrophobicContact CE1-CG 4.39Å; F102-Y143 HydrophobicContact CZ-CD2 4.05Å; F102-Y143 HydrophobicContact CZ-CE2 4.37Å; F102-Y143 HydrophobicContact CZ-CG 4.41Å
103Y93.9Very high94.3Very high43 Ų4342.8 Ų42.817%0.16923%0.225CC..Hα-helixtrans-64.2-37.9175.3-175.8-117000112L29 T99 I106 R107L29-Y103 HydrophobicContact CB-CD2 3.67Å; L29-Y103 HydrophobicContact CB-CE1 4.46Å; L29-Y103 HydrophobicContact CB-CE2 3.62Å; L29-Y103 HydrophobicContact CB-CG 4.13Å; L29-Y103 HydrophobicContact CD1-CD1 4.14Å; L29-Y103 HydrophobicContact CD1-CD2 4.45Å; L29-Y103 HydrophobicContact CD1-CG 4.07Å; T99-Y103 WeakPolarHBondContact O-CB 3.45Å; T99-Y103 PolarHBondContact O-N 3.4Å; Y103-I106 PolarHBondContact O-N 3.16Å; Y103-R107 VanDerWaalsContact CE1-CD 3.45Å; Y103-R107 HydrophobicContact CE1-CG 4.18Å; Y103-R107 HydrophobicContact CE2-CG 4.32Å; Y103-R107 WeakPolarHBondContact O-CG 3.45Å; Y103-R107 PolarHBondContact O-N 3.33Å
104G93.4Very high93.9Very high36 Ų3645.9 Ų45.937%0.37124%0.236SC..Hα-helixtrans-60.3-43.3171.800000112.2Q100 L101 F102 R107 A108Q100-G104 WeakPolarHBondContact O-CA 3.41Å; Q100-G104 PolarHBondContact O-N 3.47Å; L101-G104 PolarHBondContact O-N 2.94Å; F102-G104 VanDerWaalsContact C-N 3.31Å; F102-G104 PolarHBondContact O-N 2.92Å; G104-R107 PolarHBondContact O-N 3.31Å; G104-A108 WeakPolarHBondContact O-CB 3.25Å; G104-A108 PolarHBondContact O-N 2.98Å
105A93.8Very high93.6Very high11 Ų1151.7 Ų51.79%0.09126%0.263CS..Hα-helixtrans-64.5-39176.400000112.7L101 F102 A108 A135L101-A105 WeakPolarHBondContact O-CB 3.33Å; L101-A105 PolarHBondContact O-N 3.47Å; F102-A105 WeakPolarHBondContact O-CB 3.42Å; F102-A105 PolarHBondContact O-N 3.06Å; A105-A108 PolarHBondContact O-N 3.42Å; A105-A135 HydrophobicContact CB-CB 4.21Å
106I92.7Very high93.4Very high6 Ų655.1 Ų55.13%0.03129%0.287CS..Hα-helixtrans-64.5-43.4173.9-67.6172000110.9T26 T30 F102 Y103 A108 I109 W114 L132 A135T26-I106 HydrophobicContact CG2-CD1 3.27Å; T30-I106 HydrophobicContact CG2-CG2 3.95Å; T30-I106 WeakPolarHBondContact OG1-CD1 3.2Å; F102-I106 WeakPolarHBondContact O-CG1 3.37Å; F102-I106 PolarHBondContact O-N 3.25Å; Y103-I106 PolarHBondContact O-N 3.16Å; I106-A108 PolarHBondContact O-N 2.93Å; I106-I109 VanDerWaalsContact O-CB 3.3Å; I106-I109 WeakPolarHBondContact O-CB 3.4Å; I106-I109 VanDerWaalsContact O-CG1 3.32Å; I106-I109 WeakPolarHBondContact O-CG1 3.41Å; I106-I109 PolarHBondContact O-N 3.25Å; I106-W114 HydrophobicContact CG2-CH2 4.19Å; I106-W114 HydrophobicContact CG2-CZ2 3.7Å; I106-L132 HydrophobicContact CD1-CD1 3.44Å; I106-L132 VanDerWaalsContact CD1-CD1 3.44Å; I106-L132 HydrophobicContact CG1-CD1 4.09Å; I106-A135 HydrophobicContact CB-CB 4.44Å; I106-A135 HydrophobicContact CG1-CB 3.63Å
107R91.1Very high93.1Very high186 Ų18655.7 Ų55.770%0.70229%0.291SS*.Hα-helixtrans-67.2-23.6176.6-75.2-175.563.5-158.1-1113.4Y103 G104 I109Y103-R107 VanDerWaalsContact CE1-CD 3.45Å; Y103-R107 HydrophobicContact CE1-CG 4.18Å; Y103-R107 HydrophobicContact CE2-CG 4.32Å; Y103-R107 WeakPolarHBondContact O-CG 3.45Å; Y103-R107 PolarHBondContact O-N 3.33Å; G104-R107 PolarHBondContact O-N 3.31Å; R107-I109 PolarHBondContact O-N 3.09Å
108A91.8Very high92.7Very high48 Ų4856 Ų5640%0.39731%0.305SS..THydrogen-bonded Turntrans-80.6-2.5175.700000113.4G104 A105 I106 R138G104-A108 WeakPolarHBondContact O-CB 3.25Å; G104-A108 PolarHBondContact O-N 2.98Å; A105-A108 PolarHBondContact O-N 3.42Å; I106-A108 PolarHBondContact O-N 2.93Å; A108-R138 PolarHBondContact O-NH1 3.42Å
109I91.6Very high92.5Very high7 Ų760 Ų604%0.03634%0.338CS..SBendtrans-69.3129.2171-62.2-179.1000108.6I106 R107 E111 Q113 L131 Y134 A135I106-I109 VanDerWaalsContact O-CB 3.3Å; I106-I109 WeakPolarHBondContact O-CB 3.4Å; I106-I109 VanDerWaalsContact O-CG1 3.32Å; I106-I109 WeakPolarHBondContact O-CG1 3.41Å; I106-I109 PolarHBondContact O-N 3.25Å; R107-I109 PolarHBondContact O-N 3.09Å; I109-E111 PolarHBondContact O-N 3.14Å; I109-Q113 HydrophobicContact CG2-CB 3.98Å; I109-Q113 HydrophobicContact CG2-CG 4.36Å; I109-Q113 VanDerWaalsContact CG2-OE1 3.27Å; I109-L131 HydrophobicContact CD1-CB 3.83Å; I109-L131 HydrophobicContact CG2-CD2 4.45Å; I109-Y134 HydrophobicContact CD1-CD1 4.29Å; I109-Y134 HydrophobicContact CG1-CD1 4.18Å; I109-Y134 HydrophobicContact CG1-CE1 4.41Å; I109-A135 HydrophobicContact CD1-CB 4.11Å
110P92.3Very high92.4Very high71 Ų7166.8 Ų66.846%0.46137%0.374SS..  trans-53.4134.8177.2-25.534000112.4G112 Q113P110-G112 PolarHBondContact O-N 3.11Å; P110-G112 VanDerWaalsContact O-N 3.11Å; P110-Q113 PolarHBondContact O-N 3.16Å
111E89Confident92.3Very high150 Ų15065.8 Ų65.870%0.70139%0.387SS*.Hα-helixtrans-56.2-31.8-179-64.4-171169.200112.8I109 Q113 W114 Q115I109-E111 PolarHBondContact O-N 3.14Å; E111-Q113 PolarHBondContact O-N 2.91Å; E111-W114 WeakPolarHBondContact O-CB 3.49Å; E111-W114 PolarHBondContact O-N 2.71Å; E111-W114 VanDerWaalsContact O-N 3.11Å; E111-Q115 WeakPolarHBondContact O-CG 3.49Å; E111-Q115 PolarHBondContact O-N 3.46Å
112G91.8Very high92.1Very high36 Ų3666.3 Ų66.337%0.37139%0.389SS..Hα-helixtrans-56-35.4175.900000113.6P110 Q115 S116P110-G112 PolarHBondContact O-N 3.11Å; P110-G112 VanDerWaalsContact O-N 3.11Å; G112-Q115 PolarHBondContact O-N 3.19Å; G112-S116 PolarHBondContact O-N 2.95Å; G112-S116 PolarHBondContact O-OG 2.83Å
113Q90.7Very high91.9Very high67 Ų6768.2 Ų68.231%0.31340%0.404SS..Hα-helixtrans-68.9-37.5178.6-64-1735.600112.2I109 P110 E111 S116 C117 L131I109-Q113 HydrophobicContact CG2-CB 3.98Å; I109-Q113 HydrophobicContact CG2-CG 4.36Å; I109-Q113 VanDerWaalsContact CG2-OE1 3.27Å; P110-Q113 PolarHBondContact O-N 3.16Å; E111-Q113 PolarHBondContact O-N 2.91Å; Q113-S116 PolarHBondContact O-N 3.14Å; Q113-C117 PolarHBondContact O-N 2.89Å; Q113-C117 VanDerWaalsContact O-N 3.15Å; Q113-C117 PolarHBondContact O-SG 2.86Å; Q113-L131 HydrophobicContact CB-CD2 4.13Å
114W89.9Confident91.5Very high78 Ų7873.6 Ų73.630%0.29543%0.428SS..Hα-helixtrans-65.1-43.6174-68.392000111.2T30 I106 E111 C117 S118 T127 L128 L131T30-W114 HydrophobicContact CG2-CH2 3.93Å; I106-W114 HydrophobicContact CG2-CH2 4.19Å; I106-W114 HydrophobicContact CG2-CZ2 3.7Å; E111-W114 WeakPolarHBondContact O-CB 3.49Å; E111-W114 PolarHBondContact O-N 2.71Å; E111-W114 VanDerWaalsContact O-N 3.11Å; W114-C117 PolarHBondContact O-N 2.86Å; W114-S118 PolarHBondContact O-N 3.31Å; W114-T127 HydrophobicContact CE3-CG2 3.66Å; W114-T127 HydrophobicContact CZ3-CG2 3.82Å; W114-L128 HydrophobicContact CH2-CD2 4.2Å; W114-L131 HydrophobicContact CD2-CD1 3.55Å; W114-L131 HydrophobicContact CE3-CD1 3.8Å; W114-L131 HydrophobicContact CG-CD1 4.03Å; W114-L131 HydrophobicContact CH2-CD1 4.17Å; W114-L131 HydrophobicContact CZ2-CD1 3.94Å; W114-L131 HydrophobicContact CZ3-CD1 4.1Å
115Q91.2Very high91.1Very high123 Ų12379.8 Ų79.858%0.57545%0.445SS*.Hα-helixtrans-64.7-39.5177.3-67.6169-3.600111.6E111 G112 S118 A119E111-Q115 WeakPolarHBondContact O-CG 3.49Å; E111-Q115 PolarHBondContact O-N 3.46Å; G112-Q115 PolarHBondContact O-N 3.19Å; Q115-S118 PolarHBondContact O-N 2.92Å; Q115-A119 WeakPolarHBondContact O-CB 3.48Å; Q115-A119 PolarHBondContact O-N 3.16Å
116S93Very high90.9Very high72 Ų7283.1 Ų83.150%0.50346%0.461SS..Hα-helixtrans-61.5-45175.1-60.50000112.5G112 Q113 S118 A119 L120G112-S116 PolarHBondContact O-N 2.95Å; G112-S116 PolarHBondContact O-OG 2.83Å; Q113-S116 PolarHBondContact O-N 3.14Å; S116-S118 VanDerWaalsContact C-N 3.32Å; S116-S118 PolarHBondContact O-N 3.1Å; S116-A119 PolarHBondContact O-N 3.26Å; S116-L120 WeakPolarHBondContact O-CG 3.48Å; S116-L120 PolarHBondContact O-N 3.23Å; S116-L120 VanDerWaalsContact O-N 3.09Å
117C92.2Very high90.8Very high12 Ų1283.3 Ų83.38%0.08146%0.463CS..Hα-helixtrans-62.6-42176.3-62.70000111.3Q113 W114 A119 L120 G121 M122 T127Q113-C117 PolarHBondContact O-N 2.89Å; Q113-C117 VanDerWaalsContact O-N 3.15Å; Q113-C117 PolarHBondContact O-SG 2.86Å; W114-C117 PolarHBondContact O-N 2.86Å; C117-A119 VanDerWaalsContact C-N 3.34Å; C117-A119 PolarHBondContact O-N 3.15Å; C117-L120 PolarHBondContact O-N 3.27Å; C117-G121 PolarHBondContact O-N 3.4Å; C117-M122 HydrophobicContact CB-CB 4.39Å; C117-M122 HydrophobicContact CB-SD 3.9Å; C117-M122 VanDerWaalsContact O-CB 3.3Å; C117-M122 WeakPolarHBondContact O-CB 3.43Å; C117-M122 WeakPolarHBondContact O-CG 3.29Å; C117-M122 PolarHBondContact O-N 3.19Å; C117-M122 VanDerWaalsContact O-N 3.16Å; C117-T127 HydrophobicContact CB-CG2 3.63Å
118S89.6Confident90.6Very high89 Ų8975.4 Ų75.462%0.62243%0.434SS*.Hα-helixtrans-64.9-36.3176.1-169.40000112.6W114 Q115 S116 L120 G121W114-S118 PolarHBondContact O-N 3.31Å; Q115-S118 PolarHBondContact O-N 2.92Å; S116-S118 VanDerWaalsContact C-N 3.32Å; S116-S118 PolarHBondContact O-N 3.1Å; S118-L120 VanDerWaalsContact C-N 3.28Å; S118-L120 PolarHBondContact O-N 2.64Å; S118-G121 PolarHBondContact O-N 3.1Å; S118-G121 VanDerWaalsContact O-N 3.09Å
119A93.3Very high90.4Very high87 Ų8776.3 Ų76.372%0.71944%0.442SS*.Hα-helixtrans-68-28.6176.600000112.4Q115 S116 C117 G121Q115-A119 WeakPolarHBondContact O-CB 3.48Å; Q115-A119 PolarHBondContact O-N 3.16Å; S116-A119 PolarHBondContact O-N 3.26Å; C117-A119 VanDerWaalsContact C-N 3.34Å; C117-A119 PolarHBondContact O-N 3.15Å; A119-G121 PolarHBondContact O-N 3.4Å
120L93.7Very high90.4Very high141 Ų14180.7 Ų80.774%0.73846%0.464SS*.THydrogen-bonded Turntrans-79.23.2171.7-66.9173.9000113.4S116 C117 S118 M122S116-L120 WeakPolarHBondContact O-CG 3.48Å; S116-L120 PolarHBondContact O-N 3.23Å; S116-L120 VanDerWaalsContact O-N 3.09Å; C117-L120 PolarHBondContact O-N 3.27Å; S118-L120 VanDerWaalsContact C-N 3.28Å; S118-L120 PolarHBondContact O-N 2.64Å; L120-M122 HydrophobicContact CB-CG 4.05Å; L120-M122 PolarHBondContact O-N 3.29Å
121G92.5Very high90.2Very high67 Ų6777.8 Ų77.869%0.69144%0.444SS*.THydrogen-bonded Turntrans71.316.6-179.900000114.2C117 S118 A119C117-G121 PolarHBondContact O-N 3.4Å; S118-G121 PolarHBondContact O-N 3.1Å; S118-G121 VanDerWaalsContact O-N 3.09Å; A119-G121 PolarHBondContact O-N 3.4Å
122M92.3Very high90.2Very high52 Ų5272 Ų7226%0.25642%0.418SS..  trans-67.4140.3-179.5-62.7-173.97400111.4C117 L120 D126 I130C117-M122 HydrophobicContact CB-CB 4.39Å; C117-M122 HydrophobicContact CB-SD 3.9Å; C117-M122 VanDerWaalsContact O-CB 3.3Å; C117-M122 WeakPolarHBondContact O-CB 3.43Å; C117-M122 WeakPolarHBondContact O-CG 3.29Å; C117-M122 PolarHBondContact O-N 3.19Å; C117-M122 VanDerWaalsContact O-N 3.16Å; L120-M122 HydrophobicContact CB-CG 4.05Å; L120-M122 PolarHBondContact O-N 3.29Å; M122-D126 HydrophobicContact CB-CB 4.24Å; M122-D126 HydrophobicContact CE-CB 3.59Å; M122-I130 HydrophobicContact CE-CD1 3.2Å; M122-I130 HydrophobicContact CE-CG1 3.96Å; M122-I130 HydrophobicContact SD-CD1 3.88Å
123S89.8Confident90Very high51 Ų5174 Ų7436%0.35743%0.425SS..  trans-68.9164.3173.279.90000110.9K125 D126 T127S123-K125 PolarHBondContact O-N 2.88Å; S123-K125 PolarHBondContact OG-N 3.5Å; S123-D126 WeakPolarHBondContact CB-OD2 3.31Å; S123-D126 PolarHBondContact N-OD2 2.87Å; S123-D126 VanDerWaalsContact N-OD2 3.08Å; S123-D126 PolarHBondContact O-N 2.72Å; S123-D126 VanDerWaalsContact O-N 3.17Å; S123-D126 PolarHBondContact OG-N 3.4Å; S123-D126 PolarHBondContact OG-OD1 2.91Å; S123-D126 PolarHBondContact OG-OD2 3.28Å; S123-T127 WeakPolarHBondContact O-CB 3.41Å; S123-T127 PolarHBondContact O-N 3.47Å; S123-T127 PolarHBondContact O-OG1 2.97Å
124K85Confident89.8Confident155 Ų15576.2 Ų76.267%0.67443%0.431SS*.Hα-helixtrans-58.1-32.1174.6-68.2-170.7-175.2-179.10112.4L31 L128L31-K124 HydrophobicContact CD2-CB 4.47Å; K124-L128 WeakPolarHBondContact O-CB 3.34Å; K124-L128 WeakPolarHBondContact O-CG 3.43Å; K124-L128 PolarHBondContact O-N 3.41Å
125K85.7Confident89.8Confident167 Ų16772.5 Ų72.573%0.72642%0.417SS*.Hα-helixtrans-70.9-44.2177.8-67.6-175-179.5-179.60110.8S123 L128 A129S123-K125 PolarHBondContact O-N 2.88Å; S123-K125 PolarHBondContact OG-N 3.5Å; K125-L128 WeakPolarHBondContact O-CB 3.41Å; K125-L128 PolarHBondContact O-N 3.44Å; K125-A129 PolarHBondContact O-N 3.14Å
126D89.2Confident89.7Confident80 Ų8069 Ų6943%0.42840%0.4SS..Hα-helixtrans-67.7-41.8179.3-47.9-40.1000110.8M122 S123 L128 A129 I130M122-D126 HydrophobicContact CB-CB 4.24Å; M122-D126 HydrophobicContact CE-CB 3.59Å; S123-D126 WeakPolarHBondContact CB-OD2 3.31Å; S123-D126 PolarHBondContact N-OD2 2.87Å; S123-D126 VanDerWaalsContact N-OD2 3.08Å; S123-D126 PolarHBondContact O-N 2.72Å; S123-D126 VanDerWaalsContact O-N 3.17Å; S123-D126 PolarHBondContact OG-N 3.4Å; S123-D126 PolarHBondContact OG-OD1 2.91Å; S123-D126 PolarHBondContact OG-OD2 3.28Å; D126-L128 VanDerWaalsContact C-N 3.31Å; D126-L128 PolarHBondContact O-N 2.98Å; D126-A129 PolarHBondContact O-N 3.24Å; D126-I130 PolarHBondContact O-N 2.83Å; D126-I130 VanDerWaalsContact O-N 3.16Å
127T90.5Very high89.6Confident11 Ų1173.9 Ų73.97%0.06741%0.412CS..Hα-helixtrans-57.6-45.4173.9-55.90000110.8W114 C117 S123 I130 L131W114-T127 HydrophobicContact CE3-CG2 3.66Å; W114-T127 HydrophobicContact CZ3-CG2 3.82Å; C117-T127 HydrophobicContact CB-CG2 3.63Å; S123-T127 WeakPolarHBondContact O-CB 3.41Å; S123-T127 PolarHBondContact O-N 3.47Å; S123-T127 PolarHBondContact O-OG1 2.97Å; T127-I130 PolarHBondContact O-N 2.91Å; T127-L131 HydrophobicContact CG2-CD1 3.75Å; T127-L131 HydrophobicContact CG2-CG 4.35Å; T127-L131 WeakPolarHBondContact O-CB 3.5Å; T127-L131 WeakPolarHBondContact O-CG 3.43Å; T127-L131 PolarHBondContact O-N 3.18Å
128L87.8Confident89.4Confident20 Ų2080.2 Ų80.211%0.10543%0.434CS..Hα-helixtrans-63.3-42.9175.5-84.4171.3000112.2T30 L31 W114 K124 K125 D126 I130 L131 L132T30-L128 HydrophobicContact CG2-CD1 4.46Å; T30-L128 HydrophobicContact CG2-CD2 3.4Å; T30-L128 VanDerWaalsContact CG2-CD2 3.4Å; T30-L128 HydrophobicContact CG2-CG 4.37Å; L31-L128 HydrophobicContact CD2-CD1 3.48Å; L31-L128 VanDerWaalsContact CD2-CD1 3.48Å; L31-L128 HydrophobicContact CG-CD1 4Å; W114-L128 HydrophobicContact CH2-CD2 4.2Å; K124-L128 WeakPolarHBondContact O-CB 3.34Å; K124-L128 WeakPolarHBondContact O-CG 3.43Å; K124-L128 PolarHBondContact O-N 3.41Å; K125-L128 WeakPolarHBondContact O-CB 3.41Å; K125-L128 PolarHBondContact O-N 3.44Å; D126-L128 VanDerWaalsContact C-N 3.31Å; D126-L128 PolarHBondContact O-N 2.98Å; L128-I130 PolarHBondContact O-N 3.15Å; L128-L131 PolarHBondContact O-N 3.02Å; L128-L132 WeakPolarHBondContact O-CB 3.42Å; L128-L132 PolarHBondContact O-N 3.15Å
129A88.2Confident89.6Confident67 Ų6776.2 Ų76.255%0.55441%0.406SS*.Hα-helixtrans-59.2-31.7179.300000112.6K125 D126 P133K125-A129 PolarHBondContact O-N 3.14Å; D126-A129 PolarHBondContact O-N 3.24Å; A129-P133 VanDerWaalsContact O-CD 3.23Å; A129-P133 WeakPolarHBondContact O-CD 3.39Å; A129-P133 WeakPolarHBondContact O-CG 3.34Å
130I90.7Very high89.5Confident99 Ų9977.4 Ų77.451%0.50840%0.4SS..Hα-helixtrans-81.1-47.8176.1-63.7-170.8000112.3M122 D126 T127 L128M122-I130 HydrophobicContact CE-CD1 3.2Å; M122-I130 HydrophobicContact CE-CG1 3.96Å; M122-I130 HydrophobicContact SD-CD1 3.88Å; D126-I130 PolarHBondContact O-N 2.83Å; D126-I130 VanDerWaalsContact O-N 3.16Å; T127-I130 PolarHBondContact O-N 2.91Å; L128-I130 PolarHBondContact O-N 3.15Å
131L88.8Confident89.4Confident9 Ų975 Ų755%0.04739%0.394CS..Hα-helixtrans-81.8-27.7-170.2-65.6-175.7000113.5I109 Q113 W114 T127 L128 Y134 A135I109-L131 HydrophobicContact CD1-CB 3.83Å; I109-L131 HydrophobicContact CG2-CD2 4.45Å; Q113-L131 HydrophobicContact CB-CD2 4.13Å; W114-L131 HydrophobicContact CD2-CD1 3.55Å; W114-L131 HydrophobicContact CE3-CD1 3.8Å; W114-L131 HydrophobicContact CG-CD1 4.03Å; W114-L131 HydrophobicContact CH2-CD1 4.17Å; W114-L131 HydrophobicContact CZ2-CD1 3.94Å; W114-L131 HydrophobicContact CZ3-CD1 4.1Å; T127-L131 HydrophobicContact CG2-CD1 3.75Å; T127-L131 HydrophobicContact CG2-CG 4.35Å; T127-L131 WeakPolarHBondContact O-CB 3.5Å; T127-L131 WeakPolarHBondContact O-CG 3.43Å; T127-L131 PolarHBondContact O-N 3.18Å; L128-L131 PolarHBondContact O-N 3.02Å; L131-Y134 WeakPolarHBondContact O-CB 3.13Å; L131-Y134 PolarHBondContact O-N 2.66Å; L131-A135 PolarHBondContact O-N 3.19Å; L131-A135 VanDerWaalsContact O-N 3.09Å
132L87.5Confident89.5Confident29 Ų2974.4 Ų74.415%0.15238%0.38CS..Hα-helixtrans-66-44.7-174.6-171.969.5000113.3I106 L128 Y134 A135 F136I106-L132 HydrophobicContact CD1-CD1 3.44Å; I106-L132 VanDerWaalsContact CD1-CD1 3.44Å; I106-L132 HydrophobicContact CG1-CD1 4.09Å; L128-L132 WeakPolarHBondContact O-CB 3.42Å; L128-L132 PolarHBondContact O-N 3.15Å; L132-Y134 VanDerWaalsContact C-N 3.26Å; L132-Y134 PolarHBondContact O-N 3.34Å; L132-A135 PolarHBondContact O-N 3.21Å; L132-F136 HydrophobicContact CD1-CD2 4.33Å; L132-F136 HydrophobicContact CD1-CE1 4.12Å; L132-F136 HydrophobicContact CD1-CE2 3.64Å; L132-F136 HydrophobicContact CD1-CZ 3.46Å; L132-F136 VanDerWaalsContact CD1-CZ 3.46Å; L132-F136 HydrophobicContact CD2-CE2 3.59Å; L132-F136 HydrophobicContact CD2-CZ 3.97Å; L132-F136 HydrophobicContact CG-CD2 3.85Å; L132-F136 HydrophobicContact CG-CE2 3.24Å; L132-F136 HydrophobicContact CG-CZ 3.65Å; L132-F136 WeakPolarHBondContact O-CD2 3.1Å; L132-F136 PolarHBondContact O-N 3.07Å
133P88.4Confident89.6Confident78 Ų7873.7 Ų73.751%0.50638%0.375SS..Hα-helixtrans-58.7-36.9174-24.534.8000113.3A129 F136 K137A129-P133 VanDerWaalsContact O-CD 3.23Å; A129-P133 WeakPolarHBondContact O-CD 3.39Å; A129-P133 WeakPolarHBondContact O-CG 3.34Å; P133-F136 PolarHBondContact O-N 2.79Å; P133-K137 WeakPolarHBondContact O-CB 3.28Å; P133-K137 PolarHBondContact O-N 3.4Å
134Y87.6Confident89.8Confident114 Ų11474.4 Ų74.445%0.44738%0.38SS..Hα-helixtrans-65.1-46.7177.1175.6-98.2000111.6I109 L131 L132 F136 K137 R138I109-Y134 HydrophobicContact CD1-CD1 4.29Å; I109-Y134 HydrophobicContact CG1-CD1 4.18Å; I109-Y134 HydrophobicContact CG1-CE1 4.41Å; L131-Y134 WeakPolarHBondContact O-CB 3.13Å; L131-Y134 PolarHBondContact O-N 2.66Å; L132-Y134 VanDerWaalsContact C-N 3.26Å; L132-Y134 PolarHBondContact O-N 3.34Å; Y134-F136 PolarHBondContact O-N 2.81Å; Y134-K137 PolarHBondContact O-N 3.43Å; Y134-R138 PolarHBondContact O-N 2.92Å
135A89.4Confident90.3Very high0 Ų072.1 Ų72.10%038%0.375CS..Hα-helixtrans-59.6-46.2174.900000112.2A105 I106 I109 L131 L132 K137 R138 S139A105-A135 HydrophobicContact CB-CB 4.21Å; I106-A135 HydrophobicContact CB-CB 4.44Å; I106-A135 HydrophobicContact CG1-CB 3.63Å; I109-A135 HydrophobicContact CD1-CB 4.11Å; L131-A135 PolarHBondContact O-N 3.19Å; L131-A135 VanDerWaalsContact O-N 3.09Å; L132-A135 PolarHBondContact O-N 3.21Å; A135-K137 PolarHBondContact O-N 2.8Å; A135-R138 WeakPolarHBondContact O-CB 3.21Å; A135-R138 PolarHBondContact O-N 2.86Å; A135-R138 VanDerWaalsContact O-N 3.16Å; A135-S139 PolarHBondContact O-N 3.37Å; A135-S139 PolarHBondContact O-OG 3.43Å
136F89.5Confident90.8Very high50 Ų5065 Ų6522%0.21934%0.344CS..Hα-helixtrans-62.6-43.5-179.3-71.1-40.9000112.5L23 F102 L132 P133 Y134 R138 S139 L140L23-F136 HydrophobicContact CD2-CE1 3.73Å; L23-F136 HydrophobicContact CD2-CE2 3.66Å; L23-F136 HydrophobicContact CD2-CZ 3.12Å; F102-F136 HydrophobicContact CB-CD1 4.34Å; F102-F136 HydrophobicContact CB-CE1 3.85Å; F102-F136 AromaticContact CD1-CD1 3.88Å; F102-F136 HydrophobicContact CD1-CD1 3.88Å; F102-F136 HydrophobicContact CD1-CE1 4.11Å; F102-F136 AromaticContact CD2-CD1 3.95Å; F102-F136 HydrophobicContact CD2-CD1 3.95Å; F102-F136 AromaticContact CD2-CE1 3.39Å; F102-F136 HydrophobicContact CD2-CE1 3.39Å; F102-F136 HydrophobicContact CD2-CZ 4.36Å; F102-F136 HydrophobicContact CE1-CD1 4.1Å; F102-F136 HydrophobicContact CE2-CD1 4.14Å; F102-F136 AromaticContact CE2-CE1 3.84Å; F102-F136 HydrophobicContact CE2-CE1 3.84Å; F102-F136 AromaticContact CG-CD1 3.81Å; F102-F136 HydrophobicContact CG-CD1 3.81Å; F102-F136 AromaticContact CG-CE1 3.53Å; F102-F136 HydrophobicContact CG-CE1 3.53Å; F102-F136 HydrophobicContact CZ-CD1 4.22Å; F102-F136 HydrophobicContact CZ-CE1 4.39Å; L132-F136 HydrophobicContact CD1-CD2 4.33Å; L132-F136 HydrophobicContact CD1-CE1 4.12Å; L132-F136 HydrophobicContact CD1-CE2 3.64Å; L132-F136 HydrophobicContact CD1-CZ 3.46Å; L132-F136 VanDerWaalsContact CD1-CZ 3.46Å; L132-F136 HydrophobicContact CD2-CE2 3.59Å; L132-F136 HydrophobicContact CD2-CZ 3.97Å; L132-F136 HydrophobicContact CG-CD2 3.85Å; L132-F136 HydrophobicContact CG-CE2 3.24Å; L132-F136 HydrophobicContact CG-CZ 3.65Å; L132-F136 WeakPolarHBondContact O-CD2 3.1Å; L132-F136 PolarHBondContact O-N 3.07Å; P133-F136 PolarHBondContact O-N 2.79Å; Y134-F136 PolarHBondContact O-N 2.81Å; F136-R138 PolarHBondContact O-N 2.93Å; F136-S139 WeakPolarHBondContact CA-OG 3.36Å; F136-S139 PolarHBondContact O-N 3.21Å; F136-S139 PolarHBondContact O-OG 2.9Å; F136-L140 PolarHBondContact O-N 3.41Å; F136-L140 VanDerWaalsContact O-N 3.15Å
137K90.5Very high91.1Very high173 Ų17363.5 Ų63.575%0.75234%0.338SS*.Hα-helixtrans-57-39.3175.7-172.6176.7-178.8178.90111.8P133 Y134 A135 L140P133-K137 WeakPolarHBondContact O-CB 3.28Å; P133-K137 PolarHBondContact O-N 3.4Å; Y134-K137 PolarHBondContact O-N 3.43Å; A135-K137 PolarHBondContact O-N 2.8Å; K137-L140 WeakPolarHBondContact O-CB 3.43Å
138R88.5Confident91.4Very high146 Ų14666.4 Ų66.455%0.55136%0.355SS*.Hα-helixtrans-69.4-35.1177.2-172175180171.7-0.9112.7A108 Y134 A135 F136 L140A108-R138 PolarHBondContact O-NH1 3.42Å; Y134-R138 PolarHBondContact O-N 2.92Å; A135-R138 WeakPolarHBondContact O-CB 3.21Å; A135-R138 PolarHBondContact O-N 2.86Å; A135-R138 VanDerWaalsContact O-N 3.16Å; F136-R138 PolarHBondContact O-N 2.93Å; R138-L140 VanDerWaalsContact C-N 3.31Å; R138-L140 PolarHBondContact O-N 3.31Å
139S92.6Very high91.9Very high5 Ų569.3 Ų69.34%0.03537%0.37CS..Hα-helixtrans-78.4-9.9179.766.90000114.8F102 A135 F136 S141 S142 Y143F102-S139 VanDerWaalsContact CD1-OG 3.28Å; F102-S139 WeakPolarHBondContact CD1-OG 3.34Å; F102-S139 VanDerWaalsContact CE1-OG 3.32Å; F102-S139 WeakPolarHBondContact CE1-OG 3.43Å; A135-S139 PolarHBondContact O-N 3.37Å; A135-S139 PolarHBondContact O-OG 3.43Å; F136-S139 WeakPolarHBondContact CA-OG 3.36Å; F136-S139 PolarHBondContact O-N 3.21Å; F136-S139 PolarHBondContact O-OG 2.9Å; S139-S141 VanDerWaalsContact C-N 3.31Å; S139-S141 PolarHBondContact O-N 2.82Å; S139-S142 PolarHBondContact O-N 2.85Å; S139-S142 VanDerWaalsContact O-N 3.11Å; S139-Y143 PolarHBondContact O-N 3.35Å
140L92.1Very high92.3Very high112 Ų11266.2 Ų66.259%0.58635%0.345SS*.Hα-helixtrans-57-39.8-172.2-174.563.6000113.6F136 K137 R138 Y143 S144F136-L140 PolarHBondContact O-N 3.41Å; F136-L140 VanDerWaalsContact O-N 3.15Å; K137-L140 WeakPolarHBondContact O-CB 3.43Å; R138-L140 VanDerWaalsContact C-N 3.31Å; R138-L140 PolarHBondContact O-N 3.31Å; L140-Y143 PolarHBondContact O-N 3.35Å; L140-S144 PolarHBondContact O-N 3.29Å
141S91.5Very high92.6Very high89 Ų8965.6 Ų65.662%0.62234%0.338SS*.Hα-helixtrans-62.6-46177.8177.20000111.6S139 Y143 S144 N145S139-S141 VanDerWaalsContact C-N 3.31Å; S139-S141 PolarHBondContact O-N 2.82Å; S141-Y143 VanDerWaalsContact C-N 3.35Å; S141-S144 WeakPolarHBondContact O-CB 3.46Å; S141-S144 PolarHBondContact O-N 2.92Å; S141-N145 PolarHBondContact O-N 3.19Å
142S93.1Very high93Very high55 Ų5571.7 Ų71.739%0.38537%0.365SS..Hα-helixtrans-70.9-32177.7-51.90000112.3S139 S144 N145 E146S139-S142 PolarHBondContact O-N 2.85Å; S139-S142 VanDerWaalsContact O-N 3.11Å; S142-S144 VanDerWaalsContact C-N 3.32Å; S142-N145 WeakPolarHBondContact O-CB 3.22Å; S142-N145 PolarHBondContact O-N 3.45Å; S142-E146 PolarHBondContact O-N 3.46Å
143Y94.4Very high93.4Very high37 Ų3771.3 Ų71.315%0.14536%0.364CS..Hα-helixtrans-66.7-35174.4-178.5-110000111.5L19 T98 L101 F102 S139 L140 S141 N145 E146 V147L19-Y143 HydrophobicContact CD1-CE2 4.45Å; T98-Y143 HydrophobicContact CG2-CD2 3.89Å; T98-Y143 HydrophobicContact CG2-CE2 3.79Å; L101-Y143 VanDerWaalsContact CD2-N 3.33Å; F102-Y143 HydrophobicContact CE1-CD2 4.22Å; F102-Y143 HydrophobicContact CE1-CG 4.39Å; F102-Y143 HydrophobicContact CZ-CD2 4.05Å; F102-Y143 HydrophobicContact CZ-CE2 4.37Å; F102-Y143 HydrophobicContact CZ-CG 4.41Å; S139-Y143 PolarHBondContact O-N 3.35Å; L140-Y143 PolarHBondContact O-N 3.35Å; S141-Y143 VanDerWaalsContact C-N 3.35Å; Y143-N145 VanDerWaalsContact C-N 3.28Å; Y143-N145 PolarHBondContact O-N 2.94Å; Y143-E146 WeakPolarHBondContact O-CB 3.26Å; Y143-E146 PolarHBondContact O-N 2.93Å; Y143-E146 VanDerWaalsContact O-N 3.09Å; Y143-V147 HydrophobicContact CD1-CG2 4.23Å; Y143-V147 HydrophobicContact CE1-CG2 3.85Å; Y143-V147 WeakPolarHBondContact O-CG2 3.42Å; Y143-V147 PolarHBondContact O-N 3.47Å
144S95.4Very high93.9Very high66 Ų6667.8 Ų67.846%0.46234%0.341SS..Hα-helixtrans-58.1-40.7171.8-172.40000112.1L140 S141 S142 E146 V147 V148L140-S144 PolarHBondContact O-N 3.29Å; S141-S144 WeakPolarHBondContact O-CB 3.46Å; S141-S144 PolarHBondContact O-N 2.92Å; S142-S144 VanDerWaalsContact C-N 3.32Å; S144-E146 VanDerWaalsContact C-N 3.3Å; S144-E146 PolarHBondContact O-N 2.65Å; S144-V147 WeakPolarHBondContact O-CB 3.49Å; S144-V147 PolarHBondContact O-N 3.14Å; S144-V148 WeakPolarHBondContact O-CG2 3.11Å; S144-V148 PolarHBondContact O-N 3.43Å; S144-V148 VanDerWaalsContact O-N 3.11Å
145N95.1Very high94.2Very high107 Ų10764.2 Ų64.257%0.57233%0.333SS*.Hα-helixtrans-63.2-38.5175.3-64.4-28.4000111.8S141 S142 Y143 V148 L149S141-N145 PolarHBondContact O-N 3.19Å; S142-N145 WeakPolarHBondContact O-CB 3.22Å; S142-N145 PolarHBondContact O-N 3.45Å; Y143-N145 VanDerWaalsContact C-N 3.28Å; Y143-N145 PolarHBondContact O-N 2.94Å; N145-V148 PolarHBondContact O-N 2.96Å; N145-L149 WeakPolarHBondContact O-CB 3.37Å; N145-L149 PolarHBondContact O-N 2.87Å
146E95.5Very high94.6Very high19 Ų1966.4 Ų66.49%0.08935%0.345CS..Hα-helixtrans-65-41.2176.1-175.658.4-158.200111.8S94 S142 Y143 S144 V148 L149 V150S94-E146 WeakPolarHBondContact CA-OE1 3.29Å; S94-E146 WeakPolarHBondContact CB-OE1 3.42Å; S94-E146 PolarHBondContact OG-OE1 3.04Å; S142-E146 PolarHBondContact O-N 3.46Å; Y143-E146 WeakPolarHBondContact O-CB 3.26Å; Y143-E146 PolarHBondContact O-N 2.93Å; Y143-E146 VanDerWaalsContact O-N 3.09Å; S144-E146 VanDerWaalsContact C-N 3.3Å; S144-E146 PolarHBondContact O-N 2.65Å; E146-V148 VanDerWaalsContact C-N 3.33Å; E146-V148 PolarHBondContact O-N 3.47Å; E146-L149 WeakPolarHBondContact O-CB 3.15Å; E146-L149 PolarHBondContact O-N 3.31Å; E146-L149 VanDerWaalsContact O-N 3.1Å; E146-V150 WeakPolarHBondContact O-CG2 3.45Å; E146-V150 PolarHBondContact O-N 3.47Å
147V96.9Very high94.8Very high48 Ų4864 Ų6429%0.29133%0.334SS..Hα-helixtrans-57.6-45.8173.8168.90000111.6L15 Y143 S144 L149 V150 F151L15-V147 HydrophobicContact CD1-CB 4.22Å; L15-V147 HydrophobicContact CD1-CG1 3.77Å; L15-V147 HydrophobicContact CD1-CG2 3.99Å; L15-V147 HydrophobicContact CD2-CB 4.49Å; L15-V147 HydrophobicContact CD2-CG2 3.94Å; Y143-V147 HydrophobicContact CD1-CG2 4.23Å; Y143-V147 HydrophobicContact CE1-CG2 3.85Å; Y143-V147 WeakPolarHBondContact O-CG2 3.42Å; Y143-V147 PolarHBondContact O-N 3.47Å; S144-V147 WeakPolarHBondContact O-CB 3.49Å; S144-V147 PolarHBondContact O-N 3.14Å; V147-L149 VanDerWaalsContact C-N 3.3Å; V147-L149 PolarHBondContact O-N 3.43Å; V147-V150 PolarHBondContact O-N 3.29Å; V147-F151 PolarHBondContact O-N 2.95Å; V147-F151 VanDerWaalsContact O-N 3.14Å
148V96.7Very high95Very high72 Ų7260.5 Ų60.544%0.43632%0.317SS..Hα-helixtrans-64.5-37.7176.3174.60000111.1S144 N145 E146 F151 K152S144-V148 WeakPolarHBondContact O-CG2 3.11Å; S144-V148 PolarHBondContact O-N 3.43Å; S144-V148 VanDerWaalsContact O-N 3.11Å; N145-V148 PolarHBondContact O-N 2.96Å; E146-V148 VanDerWaalsContact C-N 3.33Å; E146-V148 PolarHBondContact O-N 3.47Å; V148-F151 PolarHBondContact O-N 3.1Å; V148-K152 HydrophobicContact CG1-CD 4.4Å; V148-K152 WeakPolarHBondContact O-CG 3.48Å; V148-K152 PolarHBondContact O-N 3.19Å
149L96.7Very high95.1Very high80 Ų8055 Ų5542%0.41930%0.3SS..Hα-helixtrans-66.6-42.5178.2-173.663.1000111.8N145 E146 V147 F151 K152 S153N145-L149 WeakPolarHBondContact O-CB 3.37Å; N145-L149 PolarHBondContact O-N 2.87Å; E146-L149 WeakPolarHBondContact O-CB 3.15Å; E146-L149 PolarHBondContact O-N 3.31Å; E146-L149 VanDerWaalsContact O-N 3.1Å; V147-L149 VanDerWaalsContact C-N 3.3Å; V147-L149 PolarHBondContact O-N 3.43Å; L149-F151 VanDerWaalsContact C-N 3.33Å; L149-F151 PolarHBondContact O-N 3.4Å; L149-K152 PolarHBondContact O-N 2.97Å; L149-S153 VanDerWaalsContact O-CB 3.22Å; L149-S153 WeakPolarHBondContact O-CB 3.41Å; L149-S153 PolarHBondContact O-N 3.41Å; L149-S153 PolarHBondContact O-OG 3.02Å
150V97.6Very high95.1Very high3 Ų354.8 Ų54.82%0.01830%0.298CS..Hα-helixtrans-60.3-44.7174.8173.90000110.7T11 L15 S94 E146 V147 K152 S153 T154T11-V150 HydrophobicContact CG2-CG1 4.28Å; L15-V150 HydrophobicContact CD2-CB 4.12Å; L15-V150 HydrophobicContact CD2-CG1 4.35Å; L15-V150 HydrophobicContact CD2-CG2 3.87Å; L15-V150 HydrophobicContact CG-CB 4.43Å; L15-V150 HydrophobicContact CG-CG1 4.22Å; S94-V150 VanDerWaalsContact OG-CG2 3.26Å; S94-V150 WeakPolarHBondContact OG-CG2 3.43Å; E146-V150 WeakPolarHBondContact O-CG2 3.45Å; E146-V150 PolarHBondContact O-N 3.47Å; V147-V150 PolarHBondContact O-N 3.29Å; V150-K152 PolarHBondContact O-N 2.9Å; V150-S153 WeakPolarHBondContact O-CB 3.42Å; V150-S153 PolarHBondContact O-N 3.15Å; V150-T154 WeakPolarHBondContact O-CG2 3.43Å; V150-T154 PolarHBondContact O-N 3.11Å
151F97.3Very high94.9Very high85 Ų8553.9 Ų53.937%0.37330%0.297SS..Hα-helixtrans-58.4-49176.4-179.3-99.9000111.8L8 T11 V147 V148 L149 S153 T154L8-F151 HydrophobicContact CD2-CE2 3.99Å; T11-F151 HydrophobicContact CG2-CB 4.01Å; T11-F151 HydrophobicContact CG2-CD2 4.26Å; T11-F151 WeakPolarHBondContact OG1-CD2 3.5Å; V147-F151 PolarHBondContact O-N 2.95Å; V147-F151 VanDerWaalsContact O-N 3.14Å; V148-F151 PolarHBondContact O-N 3.1Å; L149-F151 VanDerWaalsContact C-N 3.33Å; L149-F151 PolarHBondContact O-N 3.4Å; F151-S153 VanDerWaalsContact C-N 3.28Å; F151-S153 PolarHBondContact O-N 3.33Å; F151-T154 WeakPolarHBondContact O-CB 3.24Å; F151-T154 PolarHBondContact O-N 3.26Å; F151-T154 PolarHBondContact O-OG1 2.85Å
152K96.2Very high95Very high137 Ų13750.7 Ų50.760%0.59627%0.273SS*.Hα-helixtrans-60.4-39.9176.4-73.2179.4178.3-178.10112V148 L149 V150 T154 S155V148-K152 HydrophobicContact CG1-CD 4.4Å; V148-K152 WeakPolarHBondContact O-CG 3.48Å; V148-K152 PolarHBondContact O-N 3.19Å; L149-K152 PolarHBondContact O-N 2.97Å; V150-K152 PolarHBondContact O-N 2.9Å; K152-T154 VanDerWaalsContact C-N 3.25Å; K152-T154 PolarHBondContact O-N 3.46Å; K152-S155 WeakPolarHBondContact O-CB 3.44Å; K152-S155 PolarHBondContact O-N 3.11Å; K152-S155 PolarHBondContact O-OG 3.17Å
153S97.5Very high94.9Very high21 Ų2150.9 Ų50.915%0.14727%0.269CS..Hα-helixtrans-67.9-20.5-179.9-71.40000113.9L52 L149 V150 F151 S155 L156L52-S153 VanDerWaalsContact CD2-CB 3.42Å; L149-S153 VanDerWaalsContact O-CB 3.22Å; L149-S153 WeakPolarHBondContact O-CB 3.41Å; L149-S153 PolarHBondContact O-N 3.41Å; L149-S153 PolarHBondContact O-OG 3.02Å; V150-S153 WeakPolarHBondContact O-CB 3.42Å; V150-S153 PolarHBondContact O-N 3.15Å; F151-S153 VanDerWaalsContact C-N 3.28Å; F151-S153 PolarHBondContact O-N 3.33Å; S153-S155 PolarHBondContact O-N 3.38Å; S153-S155 VanDerWaalsContact O-N 3.15Å; S153-L156 WeakPolarHBondContact O-CB 3.36Å; S153-L156 PolarHBondContact O-N 3.15Å
154T97Very high94.9Very high4 Ų449.3 Ų49.33%0.02526%0.263CS..G310 helixtrans-57.7-27.3172.364.80000112.7L10 T11 L90 V150 F151 K152 L156 A157 E164L10-T154 HydrophobicContact CB-CG2 4.33Å; L10-T154 HydrophobicContact CD2-CG2 4.02Å; L10-T154 HydrophobicContact CG-CG2 4.19Å; T11-T154 VanDerWaalsContact OG1-CG2 3.26Å; T11-T154 WeakPolarHBondContact OG1-CG2 3.38Å; L90-T154 HydrophobicContact CD1-CG2 4.09Å; V150-T154 WeakPolarHBondContact O-CG2 3.43Å; V150-T154 PolarHBondContact O-N 3.11Å; F151-T154 WeakPolarHBondContact O-CB 3.24Å; F151-T154 PolarHBondContact O-N 3.26Å; F151-T154 PolarHBondContact O-OG1 2.85Å; K152-T154 VanDerWaalsContact C-N 3.25Å; K152-T154 PolarHBondContact O-N 3.46Å; T154-L156 PolarHBondContact O-N 2.79Å; T154-L156 VanDerWaalsContact O-N 3.15Å; T154-A157 WeakPolarHBondContact O-CB 3.32Å; T154-A157 PolarHBondContact O-N 3.46Å; T154-E164 WeakPolarHBondContact O-CG 3.37Å
155S95.4Very high94.8Very high39 Ų3949.1 Ų49.127%0.27326%0.258SS..G310 helixtrans-57.2-28.4174.964.30000113.1K152 S153 A157 Y158K152-S155 WeakPolarHBondContact O-CB 3.44Å; K152-S155 PolarHBondContact O-N 3.11Å; K152-S155 PolarHBondContact O-OG 3.17Å; S153-S155 PolarHBondContact O-N 3.38Å; S153-S155 VanDerWaalsContact O-N 3.15Å; S155-A157 PolarHBondContact O-N 3.48Å; S155-Y158 WeakPolarHBondContact O-CD1 3.48Å; S155-Y158 PolarHBondContact O-N 3.06Å
156L96.4Very high94.5Very high47 Ų4747.1 Ų47.125%0.24625%0.247CC..G310 helixtrans-67.1-18.4178.2-60.5178.7000112.6L52 L53 I56 S153 T154 Y158 T159L52-L156 HydrophobicContact CB-CD1 4.19Å; L52-L156 HydrophobicContact CD2-CD1 3.95Å; L52-L156 HydrophobicContact CG-CD1 4Å; L53-L156 HydrophobicContact CB-CD1 4.28Å; L53-L156 HydrophobicContact CD1-CB 4.35Å; L53-L156 HydrophobicContact CD1-CD2 4.27Å; I56-L156 HydrophobicContact CD1-CB 3.63Å; I56-L156 HydrophobicContact CD1-CD1 4.42Å; S153-L156 WeakPolarHBondContact O-CB 3.36Å; S153-L156 PolarHBondContact O-N 3.15Å; T154-L156 PolarHBondContact O-N 2.79Å; T154-L156 VanDerWaalsContact O-N 3.15Å; L156-Y158 PolarHBondContact O-N 3.5Å; L156-T159 WeakPolarHBondContact O-CB 3.36Å; L156-T159 WeakPolarHBondContact O-CG2 3.5Å; L156-T159 PolarHBondContact O-N 3.48Å; L156-T159 VanDerWaalsContact O-N 3.16Å; L156-T159 PolarHBondContact O-OG1 3.5Å
157A95.4Very high94.3Very high0 Ų046.4 Ų46.40%024%0.244CC..G310 helixtrans-66.2-22.2-178.900000113.3L10 A86 T154 S155 T159 I160 L162 E164L10-A157 HydrophobicContact CD2-CB 4.29Å; A86-A157 HydrophobicContact CB-CB 3.99Å; T154-A157 WeakPolarHBondContact O-CB 3.32Å; T154-A157 PolarHBondContact O-N 3.46Å; S155-A157 PolarHBondContact O-N 3.48Å; A157-T159 PolarHBondContact O-N 3.04Å; A157-T159 VanDerWaalsContact O-N 3.14Å; A157-I160 WeakPolarHBondContact O-CG1 3.3Å; A157-I160 PolarHBondContact O-N 3.02Å; A157-I160 VanDerWaalsContact O-N 3.1Å; A157-L162 HydrophobicContact CB-CB 3.96Å; A157-L162 HydrophobicContact CB-CD2 3.67Å; A157-L162 HydrophobicContact CB-CG 4.28Å; A157-L162 WeakPolarHBondContact O-CB 3.28Å; A157-L162 PolarHBondContact O-N 3.45Å; A157-E164 HydrophobicContact CB-CG 4.45Å
158Y93.2Very high93.9Very high99 Ų9947.7 Ų47.739%0.38824%0.244SC..G310 helixtrans-59.4-28174.795-103.8000112.1S155 L156 I160 T161 L162 M166S155-Y158 WeakPolarHBondContact O-CD1 3.48Å; S155-Y158 PolarHBondContact O-N 3.06Å; L156-Y158 PolarHBondContact O-N 3.5Å; Y158-I160 PolarHBondContact O-N 3.27Å; Y158-T161 PolarHBondContact O-N 3.09Å; Y158-L162 VanDerWaalsContact CA-O 3.31Å; Y158-L162 WeakPolarHBondContact CA-O 3.42Å; Y158-L162 PolarHBondContact N-O 3.31Å; Y158-M166 HydrophobicContact CD1-CG 4.13Å; Y158-M166 HydrophobicContact CE1-CG 4.45Å
159T90.7Very high93.3Very high31 Ų3145.4 Ų45.419%0.1923%0.231CC..G310 helixtrans-66.3-20.1-179.566.40000113.5L53 L156 A157L53-T159 HydrophobicContact CD1-CG2 3.97Å; L156-T159 WeakPolarHBondContact O-CB 3.36Å; L156-T159 WeakPolarHBondContact O-CG2 3.5Å; L156-T159 PolarHBondContact O-N 3.48Å; L156-T159 VanDerWaalsContact O-N 3.16Å; L156-T159 PolarHBondContact O-OG1 3.5Å; A157-T159 PolarHBondContact O-N 3.04Å; A157-T159 VanDerWaalsContact O-N 3.14Å
160I92.4Very high92.6Very high0 Ų045.3 Ų45.30%023%0.229CC..G310 helixtrans-108.631.4172.859.9161.5000111.5I56 Y60 Y61 P82 C85 A86 A157 Y158 L162I56-I160 HydrophobicContact CG2-CB 4.38Å; I56-I160 HydrophobicContact CG2-CD1 3.75Å; I56-I160 HydrophobicContact CG2-CG1 3.9Å; I56-I160 HydrophobicContact CG2-CG2 3.59Å; Y60-I160 HydrophobicContact CD1-CB 3.61Å; Y60-I160 HydrophobicContact CD1-CG2 3.5Å; Y60-I160 HydrophobicContact CD2-CB 4.27Å; Y60-I160 HydrophobicContact CD2-CD1 4.18Å; Y60-I160 HydrophobicContact CE1-CB 3.94Å; Y60-I160 HydrophobicContact CE1-CG2 4.25Å; Y60-I160 HydrophobicContact CG-CB 3.78Å; Y60-I160 HydrophobicContact CG-CD1 4.18Å; Y60-I160 HydrophobicContact CG-CG2 3.72Å; Y61-I160 HydrophobicContact CE2-CG2 4.23Å; P82-I160 HydrophobicContact CB-CD1 4.25Å; P82-I160 WeakPolarHBondContact CB-O 3.32Å; P82-I160 WeakPolarHBondContact O-CD1 3.21Å; C85-I160 HydrophobicContact CB-CD1 4.2Å; A86-I160 HydrophobicContact CB-CD1 4.28Å; A157-I160 WeakPolarHBondContact O-CG1 3.3Å; A157-I160 PolarHBondContact O-N 3.02Å; A157-I160 VanDerWaalsContact O-N 3.1Å; Y158-I160 PolarHBondContact O-N 3.27Å; I160-L162 PolarHBondContact O-N 3.16Å; I160-L162 VanDerWaalsContact O-N 3.17Å
161T88.8Confident91.8Very high92 Ų9248 Ų4856%0.56424%0.243SC*.THydrogen-bonded Turntrans66.21017772.80000115.6Y158 M163Y158-T161 PolarHBondContact O-N 3.09Å; T161-M163 PolarHBondContact O-N 3.23Å
162L93.3Very high90.8Very high23 Ų2348.5 Ų48.512%0.1225%0.249CC..  trans-80.7105.8174-172.567.1000110.2T6 L10 P82 W83 A86 A157 Y158 I160 E164T6-L162 HydrophobicContact CG2-CD1 4.15Å; T6-L162 HydrophobicContact CG2-CD2 4.2Å; T6-L162 HydrophobicContact CG2-CG 4.1Å; L10-L162 HydrophobicContact CD2-CD2 4.08Å; P82-L162 HydrophobicContact CB-CB 4.19Å; P82-L162 HydrophobicContact CB-CD1 4.46Å; W83-L162 HydrophobicContact CB-CD1 3.94Å; W83-L162 HydrophobicContact CB-CD2 4.39Å; A86-L162 HydrophobicContact CB-CD2 4.01Å; A157-L162 HydrophobicContact CB-CB 3.96Å; A157-L162 HydrophobicContact CB-CD2 3.67Å; A157-L162 HydrophobicContact CB-CG 4.28Å; A157-L162 WeakPolarHBondContact O-CB 3.28Å; A157-L162 PolarHBondContact O-N 3.45Å; Y158-L162 VanDerWaalsContact CA-O 3.31Å; Y158-L162 WeakPolarHBondContact CA-O 3.42Å; Y158-L162 PolarHBondContact N-O 3.31Å; I160-L162 PolarHBondContact O-N 3.16Å; I160-L162 VanDerWaalsContact O-N 3.17Å; L162-E164 PolarHBondContact O-N 3.48Å
163M92Very high89.5Confident58 Ų5844.7 Ų44.729%0.28623%0.231SC..  trans-7592.1-177.6-63.8-60.5-64.700112T161 G167 Y168 L171T161-M163 PolarHBondContact O-N 3.23Å; M163-G167 WeakPolarHBondContact CE-O 3.38Å; M163-Y168 HydrophobicContact CB-CD2 4.09Å; M163-Y168 HydrophobicContact CB-CE2 3.61Å; M163-Y168 HydrophobicContact CE-CD1 4.14Å; M163-Y168 HydrophobicContact CE-CD2 4.45Å; M163-Y168 HydrophobicContact CE-CE1 4.4Å; M163-Y168 HydrophobicContact CE-CG 4.17Å; M163-Y168 VanDerWaalsContact O-CE2 3.3Å; M163-Y168 WeakPolarHBondContact O-CE2 3.48Å; M163-L171 HydrophobicContact CE-CB 3.8Å; M163-L171 HydrophobicContact CE-CD1 3.69Å; M163-L171 HydrophobicContact CE-CG 4.36Å
164E93.6Very high88.2Confident4 Ų446.2 Ų46.22%0.01925%0.25CS..  trans-103.1-170.2169.962.660.7-115.700111.4T6 S7 T154 A157 L162 M166 G167 Y168T6-E164 HydrophobicContact CG2-CB 4.28Å; S7-E164 WeakPolarHBondContact OG-CB 3.44Å; S7-E164 PolarHBondContact OG-OE2 2.97Å; T154-E164 WeakPolarHBondContact O-CG 3.37Å; A157-E164 HydrophobicContact CB-CG 4.45Å; L162-E164 PolarHBondContact O-N 3.48Å; E164-M166 VanDerWaalsContact C-N 3.33Å; E164-M166 PolarHBondContact O-N 3.33Å; E164-M166 WeakPolarHBondContact OE1-CA 3.49Å; E164-M166 WeakPolarHBondContact OE1-CB 3.44Å; E164-M166 PolarHBondContact OE1-N 3.36Å; E164-M166 PolarHBondContact OE2-N 2.96Å; E164-G167 PolarHBondContact O-N 3.07Å; E164-G167 VanDerWaalsContact O-N 3.14Å; E164-G167 PolarHBondContact OE1-N 2.83Å; E164-Y168 VanDerWaalsContact O-CD2 3.29Å; E164-Y168 WeakPolarHBondContact O-CD2 3.48Å; E164-Y168 PolarHBondContact O-N 2.91Å
165V92.9Very high86.9Confident62 Ų6254.9 Ų54.938%0.37628%0.283SS..Hα-helixtrans-52.2-47.7-175.4175.50000112.6L4 S7 Y168 S169L4-V165 VanDerWaalsContact CA-CG2 3.44Å; L4-V165 HydrophobicContact CB-CG2 4.03Å; L4-V165 HydrophobicContact CD1-CG2 4.2Å; S7-V165 WeakPolarHBondContact OG-CG2 3.36Å; S7-V165 PolarHBondContact OG-N 3.02Å; V165-Y168 PolarHBondContact O-N 2.92Å; V165-S169 PolarHBondContact O-N 2.93Å
166M89.8Confident85.5Confident66 Ų6657 Ų5733%0.32529%0.294SS..Hα-helixtrans-70.2-36.6178.2179.365.3171.900112Y158 E164 Y168 S169 Q170Y158-M166 HydrophobicContact CD1-CG 4.13Å; Y158-M166 HydrophobicContact CE1-CG 4.45Å; E164-M166 VanDerWaalsContact C-N 3.33Å; E164-M166 PolarHBondContact O-N 3.33Å; E164-M166 WeakPolarHBondContact OE1-CA 3.49Å; E164-M166 WeakPolarHBondContact OE1-CB 3.44Å; E164-M166 PolarHBondContact OE1-N 3.36Å; E164-M166 PolarHBondContact OE2-N 2.96Å; M166-Y168 PolarHBondContact O-N 3.29Å; M166-S169 WeakPolarHBondContact CA-OG 3.39Å; M166-S169 PolarHBondContact O-N 3.36Å; M166-S169 PolarHBondContact O-OG 3.5Å; M166-S169 PolarHBondContact SD-OG 3.45Å; M166-S169 VanDerWaalsContact SD-OG 3.36Å; M166-Q170 HydrophobicContact CE-CG 3.91Å; M166-Q170 HydrophobicContact CG-CG 4.4Å; M166-Q170 WeakPolarHBondContact O-CB 3.22Å; M166-Q170 VanDerWaalsContact O-CG 3.28Å; M166-Q170 WeakPolarHBondContact O-CG 3.48Å; M166-Q170 PolarHBondContact O-N 2.9Å; M166-Q170 HydrophobicContact SD-CG 4.22Å
167G90Very high83.5Confident3 Ų364.4 Ų64.43%0.03132%0.32CS..Hα-helixtrans-60-45.1172.600000112.2M163 E164 Q170 L171M163-G167 WeakPolarHBondContact CE-O 3.38Å; E164-G167 PolarHBondContact O-N 3.07Å; E164-G167 VanDerWaalsContact O-N 3.14Å; E164-G167 PolarHBondContact OE1-N 2.83Å; G167-Q170 PolarHBondContact O-N 2.79Å; G167-L171 WeakPolarHBondContact O-CB 3.44Å; G167-L171 PolarHBondContact O-N 3.24Å
168Y88.7Confident81.2Confident75 Ų7567.9 Ų67.929%0.29434%0.339SS..Hα-helixtrans-68.6-35.1175.8-82.8-75.3000112.7K2 M163 E164 V165 M166 L172K2-Y168 HydrophobicContact CB-CD1 3.71Å; K2-Y168 HydrophobicContact CB-CD2 3.84Å; K2-Y168 HydrophobicContact CB-CE1 3.81Å; K2-Y168 HydrophobicContact CB-CE2 3.94Å; K2-Y168 HydrophobicContact CB-CG 3.73Å; K2-Y168 HydrophobicContact CD-CD1 4.01Å; K2-Y168 HydrophobicContact CD-CE1 3.74Å; K2-Y168 HydrophobicContact CG-CE1 4.37Å; M163-Y168 HydrophobicContact CB-CD2 4.09Å; M163-Y168 HydrophobicContact CB-CE2 3.61Å; M163-Y168 HydrophobicContact CE-CD1 4.14Å; M163-Y168 HydrophobicContact CE-CD2 4.45Å; M163-Y168 HydrophobicContact CE-CE1 4.4Å; M163-Y168 HydrophobicContact CE-CG 4.17Å; M163-Y168 VanDerWaalsContact O-CE2 3.3Å; M163-Y168 WeakPolarHBondContact O-CE2 3.48Å; E164-Y168 VanDerWaalsContact O-CD2 3.29Å; E164-Y168 WeakPolarHBondContact O-CD2 3.48Å; E164-Y168 PolarHBondContact O-N 2.91Å; V165-Y168 PolarHBondContact O-N 2.92Å; M166-Y168 PolarHBondContact O-N 3.29Å; Y168-L172 WeakPolarHBondContact O-CB 3.29Å; Y168-L172 VanDerWaalsContact O-CG 3.24Å; Y168-L172 WeakPolarHBondContact O-CG 3.27Å; Y168-L172 PolarHBondContact O-N 3.5Å
169S84Confident79.4Confident24 Ų2467.1 Ų67.117%0.16834%0.344CS..Hα-helixtrans-64.5-46.7173.671.40000110.5V165 M166 L171 L172 Y173V165-S169 PolarHBondContact O-N 2.93Å; M166-S169 WeakPolarHBondContact CA-OG 3.39Å; M166-S169 PolarHBondContact O-N 3.36Å; M166-S169 PolarHBondContact O-OG 3.5Å; M166-S169 PolarHBondContact SD-OG 3.45Å; M166-S169 VanDerWaalsContact SD-OG 3.36Å; S169-L171 PolarHBondContact O-N 3.36Å; S169-L172 PolarHBondContact O-N 3.41Å; S169-Y173 WeakPolarHBondContact O-CB 3.25Å; S169-Y173 VanDerWaalsContact O-CD1 3.25Å; S169-Y173 WeakPolarHBondContact O-CD1 3.43Å; S169-Y173 VanDerWaalsContact O-CD2 3.27Å; S169-Y173 WeakPolarHBondContact O-CD2 3.42Å; S169-Y173 PolarHBondContact O-N 3Å
170Q82.1Confident77.5Confident79 Ų7969.3 Ų69.337%0.36935%0.353SS..Hα-helixtrans-61.2-39.3175.9-70.2-63.1-37.200113.2M166 G167 Y173 G174M166-Q170 HydrophobicContact CE-CG 3.91Å; M166-Q170 HydrophobicContact CG-CG 4.4Å; M166-Q170 WeakPolarHBondContact O-CB 3.22Å; M166-Q170 VanDerWaalsContact O-CG 3.28Å; M166-Q170 WeakPolarHBondContact O-CG 3.48Å; M166-Q170 PolarHBondContact O-N 2.9Å; M166-Q170 HydrophobicContact SD-CG 4.22Å; G167-Q170 PolarHBondContact O-N 2.79Å; Q170-Y173 WeakPolarHBondContact O-CB 3.45Å; Q170-Y173 PolarHBondContact O-N 3.43Å; Q170-G174 PolarHBondContact O-N 3.09Å
171L82.1Confident75.5Confident59 Ų5975.1 Ų75.131%0.30939%0.388SS..Hα-helixtrans-68.7-39.2175.6178.3153.2000112M163 G167 S169 G174 R175M163-L171 HydrophobicContact CE-CB 3.8Å; M163-L171 HydrophobicContact CE-CD1 3.69Å; M163-L171 HydrophobicContact CE-CG 4.36Å; G167-L171 WeakPolarHBondContact O-CB 3.44Å; G167-L171 PolarHBondContact O-N 3.24Å; S169-L171 PolarHBondContact O-N 3.36Å; L171-G174 PolarHBondContact O-N 3.23Å; L171-R175 WeakPolarHBondContact O-CG 3.47Å; L171-R175 PolarHBondContact O-N 3.43Å
172L74.8Confident74Confident96 Ų9676.5 Ų76.550%0.50339%0.386SS..Hα-helixtrans-62.6-48.2172.2-74.8167.2000109.8Y168 S169 G174 R175 T176Y168-L172 WeakPolarHBondContact O-CB 3.29Å; Y168-L172 VanDerWaalsContact O-CG 3.24Å; Y168-L172 WeakPolarHBondContact O-CG 3.27Å; Y168-L172 PolarHBondContact O-N 3.5Å; S169-L172 PolarHBondContact O-N 3.41Å; L172-G174 VanDerWaalsContact C-N 3.32Å; L172-G174 PolarHBondContact O-N 2.94Å; L172-R175 PolarHBondContact O-N 3.31Å; L172-T176 PolarHBondContact O-N 3.34Å; L172-T176 PolarHBondContact O-OG1 3.11Å
173Y69.9Low73Confident56 Ų5678.7 Ų78.722%0.2240%0.396CS..Hα-helixtrans-54.2-46.2175.9-59.4-23.6000112.1S169 Q170 R175 Y177 D178 M180S169-Y173 WeakPolarHBondContact O-CB 3.25Å; S169-Y173 VanDerWaalsContact O-CD1 3.25Å; S169-Y173 WeakPolarHBondContact O-CD1 3.43Å; S169-Y173 VanDerWaalsContact O-CD2 3.27Å; S169-Y173 WeakPolarHBondContact O-CD2 3.42Å; S169-Y173 PolarHBondContact O-N 3Å; Q170-Y173 WeakPolarHBondContact O-CB 3.45Å; Q170-Y173 PolarHBondContact O-N 3.43Å; Y173-R175 PolarHBondContact O-N 2.96Å; Y173-Y177 VanDerWaalsContact O-CA 3.22Å; Y173-Y177 WeakPolarHBondContact O-CA 2.99Å; Y173-Y177 PolarHBondContact O-N 3.11Å; Y173-D178 WeakPolarHBondContact CD1-O 3.45Å; Y173-M180 HydrophobicContact CE1-CB 4.31Å; Y173-M180 PolarHBondContact OH-O 3.24Å
174G69.4Low72.8Confident53 Ų5382.4 Ų82.455%0.54641%0.411SS..Hα-helixtrans-67.7-19.2177.800000114.7Q170 L171 L172Q170-G174 PolarHBondContact O-N 3.09Å; L171-G174 PolarHBondContact O-N 3.23Å; L172-G174 VanDerWaalsContact C-N 3.32Å; L172-G174 PolarHBondContact O-N 2.94Å
175R69.2Low72.8Confident187 Ų18782.3 Ų82.371%0.70641%0.41SS*.Hα-helixtrans-97.1-40179.2-74.4-178.1-176.2-174.30.9113.4L171 L172 Y173L171-R175 WeakPolarHBondContact O-CG 3.47Å; L171-R175 PolarHBondContact O-N 3.43Å; L172-R175 PolarHBondContact O-N 3.31Å; Y173-R175 PolarHBondContact O-N 2.96Å
176T66Low72.9Confident83 Ų8380.8 Ų80.851%0.50940%0.4SS..Hα-helixtrans-95.2-10.4-177.456.10000112.6L172 D178L172-T176 PolarHBondContact O-N 3.34Å; L172-T176 PolarHBondContact O-OG1 3.11Å; T176-D178 PolarHBondContact O-N 2.88Å; T176-D178 VanDerWaalsContact OG1-CB 3.29Å; T176-D178 WeakPolarHBondContact OG1-CB 3.34Å; T176-D178 PolarHBondContact OG1-N 3.23Å
177Y54.2Low73.3Confident202 Ų20277.6 Ų77.679%0.79238%0.384SS*.  trans51.422.3-167.5-66.8-85.6000113Y173Y173-Y177 VanDerWaalsContact O-CA 3.22Å; Y173-Y177 WeakPolarHBondContact O-CA 2.99Å; Y173-Y177 PolarHBondContact O-N 3.11Å
178D48.4Very low73.6Confident74 Ų7477.5 Ų77.540%0.39638%0.383SS..  trans-99.8106.1-174.1-167.7-5.2000109.2Y173 T176 M180Y173-D178 WeakPolarHBondContact CD1-O 3.45Å; T176-D178 PolarHBondContact O-N 2.88Å; T176-D178 VanDerWaalsContact OG1-CB 3.29Å; T176-D178 WeakPolarHBondContact OG1-CB 3.34Å; T176-D178 PolarHBondContact OG1-N 3.23Å; D178-M180 PolarHBondContact O-N 2.9Å
179V54.6Low74Confident82 Ų8273.9 Ų73.950%0.49737%0.369SS..  trans-93.673.2-166.7-128.80000109.7V181V179-V181 CarbonylContact O-C 3.55Å; V179-V181 PolarHBondContact O-N 3.26Å
180M51.4Low74.6Confident77 Ų7773 Ų7338%0.37936%0.362SS..  trans-81.866.8176.8-80-72.8-101.200112.5Y173 D178 Q221Y173-M180 HydrophobicContact CE1-CB 4.31Å; Y173-M180 PolarHBondContact OH-O 3.24Å; D178-M180 PolarHBondContact O-N 2.9Å; M180-Q221 HydrophobicContact CE-CB 3.93Å; M180-Q221 HydrophobicContact CE-CG 4.19Å; M180-Q221 HydrophobicContact SD-CB 3.43Å; M180-Q221 WeakPolarHBondContact SD-CB 3.43Å; M180-Q221 HydrophobicContact SD-CG 4.23Å; M180-Q221 PolarHBondContact SD-OE1 2.89Å
181V50.7Low75.1Confident122 Ų12269.2 Ų69.274%0.73935%0.345SS*.SBend-118.7112.4127172.70000102.8V179 E183V179-V181 CarbonylContact O-C 3.55Å; V179-V181 PolarHBondContact O-N 3.26Å; V181-E183 PolarHBondContact O-N 3.36Å
182F57.7Low75.5Confident121 Ų12167.5 Ų67.553%0.53134%0.337SS..  trans-31.5113-171.1-64.7-85.9000112.1K184 Q221 E223F182-K184 PolarHBondContact O-N 3.29Å; F182-K184 VanDerWaalsContact O-N 3.14Å; F182-Q221 VanDerWaalsContact CD1-O 3.23Å; F182-Q221 WeakPolarHBondContact CD1-O 3.34Å; F182-E223 HydrophobicContact CB-CB 4.02Å
183E71.2Confident76.3Confident70 Ų7063.6 Ų63.633%0.32732%0.316SS..EExtended strand (participates in β ladder)trans-58.1122.2172.4-175.7172.9-170.200107.3V181 I185 A222 E223 K381V181-E183 PolarHBondContact O-N 3.36Å; E183-I185 HydrophobicContact CG-CG1 4.35Å; E183-A222 HydrophobicContact CB-CB 4.29Å; E183-A222 CarbonylContact O-C 3.46Å; E183-A222 WeakPolarHBondContact O-CA 3.41Å; E183-A222 WeakPolarHBondContact O-CB 3.23Å; E183-E223 PolarHBondContact O-N 2.6Å; E183-K381 IonicContact OE1-NZ 3.78Å; E183-K381 IonicContact OE2-NZ 2.6Å; E183-K381 PolarHBondContact OE2-NZ 3.24Å
184K87.4Confident77.4Confident136 Ų13662.7 Ų62.759%0.59132%0.317SS*.EExtended strand (participates in β ladder)trans-82.1120.1176.3-70.1-170.6176.8-155.90108.5F182 E223F182-K184 PolarHBondContact O-N 3.29Å; F182-K184 VanDerWaalsContact O-N 3.14Å; K184-E223 CarbonylContact C-O 3.56Å; K184-E223 WeakPolarHBondContact CA-O 3.45Å; K184-E223 WeakPolarHBondContact CE-OE2 3.46Å; K184-E223 HydrophobicContact CG-CB 4.25Å; K184-E223 IonicContact NZ-OE1 3.65Å; K184-E223 IonicContact NZ-OE2 3.6Å
185I93.5Very high78.6Confident2 Ų260.5 Ų60.51%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-112.8111.5176-53.5172.2000107.4E183 F187 M220 A222 E223 C224 T225 D244 L378E183-I185 HydrophobicContact CG-CG1 4.35Å; I185-F187 HydrophobicContact CB-CD2 4.44Å; I185-F187 HydrophobicContact CB-CE2 3.8Å; I185-F187 HydrophobicContact CG2-CD2 3.89Å; I185-F187 HydrophobicContact CG2-CE2 3.26Å; I185-F187 HydrophobicContact CG2-CZ 3.67Å; I185-M220 HydrophobicContact CD1-CE 3.39Å; I185-M220 HydrophobicContact CD1-SD 4.31Å; I185-A222 HydrophobicContact CD1-CB 3.67Å; I185-A222 HydrophobicContact CG1-CB 4.12Å; I185-E223 PolarHBondContact N-O 3.05Å; I185-C224 WeakPolarHBondContact O-CA 3.33Å; I185-T225 PolarHBondContact O-N 3.14Å; I185-D244 HydrophobicContact CG2-CB 4.18Å; I185-L378 HydrophobicContact CD1-CD1 3.87Å; I185-L378 HydrophobicContact CG1-CD1 4.33Å; I185-L378 HydrophobicContact CG2-CD1 4.33Å; I185-L378 HydrophobicContact CG2-CD2 4.49Å
186N95.5Very high79.9Confident29 Ų2951.6 Ų51.616%0.15526%0.259CS..EExtended strand (participates in β ladder)trans-87.1126172.9-16921.3000109.7T225 T227 K242 Y243 D244 A245N186-T225 WeakPolarHBondContact CA-OG1 3.23Å; N186-T225 PolarHBondContact OD1-O 2.97Å; N186-T225 PolarHBondContact OD1-OG1 3.38Å; N186-T227 PolarHBondContact ND2-OG1 2.69Å; N186-T227 PolarHBondContact OD1-OG1 3.44Å; N186-K242 PolarHBondContact ND2-O 2.86Å; N186-Y243 VanDerWaalsContact O-CB 3.31Å; N186-Y243 WeakPolarHBondContact O-CB 3.38Å; N186-D244 PolarHBondContact N-OD2 3.43Å; N186-D244 VanDerWaalsContact N-OD2 3.16Å; N186-D244 PolarHBondContact O-N 3.4Å; N186-A245 PolarHBondContact O-N 3.09Å
187F97.9Very high81.3Confident0 Ų047.6 Ų47.60%024%0.235CC..EExtended strand (participates in β ladder)trans-103.2128.2176.2-73-95.3000110.6I185 V189 A213 C224 T225 F226 T227 A245 I247 I369 L382I185-F187 HydrophobicContact CB-CD2 4.44Å; I185-F187 HydrophobicContact CB-CE2 3.8Å; I185-F187 HydrophobicContact CG2-CD2 3.89Å; I185-F187 HydrophobicContact CG2-CE2 3.26Å; I185-F187 HydrophobicContact CG2-CZ 3.67Å; F187-V189 HydrophobicContact CB-CG1 4.41Å; F187-A213 HydrophobicContact CE1-CB 4.41Å; F187-A213 HydrophobicContact CE2-CB 4.46Å; F187-A213 HydrophobicContact CZ-CB 4.37Å; F187-C224 HydrophobicContact CD2-CB 4.47Å; F187-C224 HydrophobicContact CE2-CB 4.42Å; F187-C224 WeakPolarHBondContact CE2-SG 3.44Å; F187-T225 PolarHBondContact N-O 2.91Å; F187-F226 HydrophobicContact CB-CD1 3.82Å; F187-F226 HydrophobicContact CB-CE1 4.11Å; F187-F226 HydrophobicContact CD2-CE1 4.45Å; F187-F226 HydrophobicContact CG-CE1 4.37Å; F187-F226 CarbonylContact O-C 3.46Å; F187-F226 WeakPolarHBondContact O-CA 3.38Å; F187-T227 PolarHBondContact O-N 2.87Å; F187-A245 CarbonylContact C-O 3.59Å; F187-A245 VanDerWaalsContact CA-O 3.31Å; F187-A245 WeakPolarHBondContact CA-O 3.21Å; F187-A245 HydrophobicContact CD1-CB 3.7Å; F187-A245 HydrophobicContact CE1-CB 3.61Å; F187-A245 HydrophobicContact CG-CB 4.49Å; F187-A245 HydrophobicContact CZ-CB 4.31Å; F187-I247 HydrophobicContact CB-CG2 4.08Å; F187-I247 HydrophobicContact CD1-CB 3.99Å; F187-I247 HydrophobicContact CD1-CG2 3.45Å; F187-I247 VanDerWaalsContact CD1-CG2 3.45Å; F187-I247 HydrophobicContact CE1-CB 4.46Å; F187-I247 HydrophobicContact CE1-CG2 4.2Å; F187-I247 HydrophobicContact CG-CG2 4.03Å; F187-I369 HydrophobicContact CE1-CG2 4.1Å; F187-L382 HydrophobicContact CZ-CD2 4.18Å
188G97.6Very high83.2Confident0 Ų039.3 Ų39.30%021%0.206CC..EExtended strand (participates in β ladder)trans-80.1132.3164.500000110.4A245 V246 I247G188-A245 PolarHBondContact N-O 3.35Å; G188-V246 WeakPolarHBondContact O-CA 3.35Å; G188-I247 PolarHBondContact O-N 3.08Å
189V97.4Very high85.3Confident0 Ų039.4 Ų39.40%021%0.206CC..EExtended strand (participates in β ladder)trans-139.9154.4-178.3-53.40000110.7F187 E197 I205 I210 F226 T227 N228 H229 I247F187-V189 HydrophobicContact CB-CG1 4.41Å; V189-E197 HydrophobicContact CB-CG 4.44Å; V189-I205 HydrophobicContact CG2-CD1 3.62Å; V189-I205 HydrophobicContact CG2-CG2 4.15Å; V189-I210 HydrophobicContact CG1-CD1 4.1Å; V189-F226 HydrophobicContact CG1-CD1 3.89Å; V189-F226 HydrophobicContact CG2-CB 4.42Å; V189-T227 PolarHBondContact N-O 3.16Å; V189-N228 CarbonylContact O-C 3.42Å; V189-N228 WeakPolarHBondContact O-CA 3.37Å; V189-N228 PolarHBondContact O-OD1 3.5Å; V189-H229 PolarHBondContact O-N 3.21Å; V189-I247 HydrophobicContact CG1-CG2 4.09Å; V189-I247 WeakPolarHBondContact CG1-O 3.46Å
190S94.9Very high86.9Confident4 Ų436.4 Ų36.43%0.02819%0.192CC..  trans-109.197.6166.6-1780000109T192 H229 S248 E294S190-T192 PolarHBondContact O-N 3.33Å; S190-H229 WeakPolarHBondContact CA-O 3.31Å; S190-H229 WeakPolarHBondContact CB-O 3.25Å; S190-S248 WeakPolarHBondContact CB-OG 3.32Å; S190-S248 PolarHBondContact N-OG 3.31Å; S190-E294 PolarHBondContact OG-OE1 2.96Å
191A93.5Very high88.4Confident1 Ų138 Ų381%0.00822%0.217CC..THydrogen-bonded Turntrans-78.543.8-171.900000114.1S198 I199 I205 N228A191-S198 WeakPolarHBondContact O-CA 3.2Å; A191-I199 HydrophobicContact CB-CD1 3.52Å; A191-I199 HydrophobicContact CB-CG1 4.04Å; A191-I205 HydrophobicContact CB-CD1 4.41Å; A191-I205 HydrophobicContact CB-CG1 4.37Å; A191-I205 HydrophobicContact CB-CG2 3.72Å; A191-N228 WeakPolarHBondContact CB-OD1 3.4Å; A191-N228 PolarHBondContact N-OD1 2.81Å
192T90.4Very high90.1Very high23 Ų2338.6 Ų38.614%0.14122%0.216CC..EExtended strand (participates in β ladder)trans-126.213.4-177.672.60000114S190S190-T192 PolarHBondContact O-N 3.33Å
193Y92.5Very high91.5Very high14 Ų1439.3 Ų39.36%0.05523%0.226CC..EExtended strand (participates in β ladder)trans-133.465.3-166-154.8-122.6000114F196 E197 Y318 D336 V339 W343Y193-F196 AromaticContact CD1-CD2 3.91Å; Y193-F196 HydrophobicContact CD1-CD2 3.91Å; Y193-F196 HydrophobicContact CE1-CD2 4.06Å; Y193-F196 HydrophobicContact CE1-CE2 4.45Å; Y193-F196 WeakPolarHBondContact O-CB 3.29Å; Y193-F196 PolarHBondContact O-N 3.2Å; Y193-E197 CarbonylContact C-O 3.53Å; Y193-E197 WeakPolarHBondContact CA-O 3.14Å; Y193-E197 PolarHBondContact N-O 3.35Å; Y193-E197 PolarHBondContact O-N 2.81Å; Y193-E197 VanDerWaalsContact O-N 3.12Å; Y193-Y318 AromaticContact CD2-CD2 3.44Å; Y193-Y318 HydrophobicContact CD2-CD2 3.44Å; Y193-Y318 VanDerWaalsContact CD2-CD2 3.44Å; Y193-Y318 AromaticContact CD2-CE2 3.67Å; Y193-Y318 HydrophobicContact CD2-CE2 3.67Å; Y193-Y318 HydrophobicContact CD2-CG 4.2Å; Y193-Y318 AromaticContact CE2-CD2 3.53Å; Y193-Y318 HydrophobicContact CE2-CD2 3.53Å; Y193-Y318 AromaticContact CE2-CE2 3.31Å; Y193-Y318 HydrophobicContact CE2-CE2 3.31Å; Y193-Y318 HydrophobicContact CE2-CG 4.22Å; Y193-Y318 AromaticContact CE2-CZ 3.85Å; Y193-D336 HydrophobicContact CE1-CB 4.43Å; Y193-D336 WeakPolarHBondContact CE1-OD2 3.29Å; Y193-D336 WeakPolarHBondContact OH-CB 3.46Å; Y193-D336 PolarHBondContact OH-N 2.92Å; Y193-D336 PolarHBondContact OH-OD2 3.1Å; Y193-V339 HydrophobicContact CD1-CG2 3.55Å; Y193-V339 HydrophobicContact CD2-CB 4.47Å; Y193-V339 HydrophobicContact CD2-CG1 3.8Å; Y193-V339 HydrophobicContact CD2-CG2 4.14Å; Y193-V339 HydrophobicContact CE1-CB 4.17Å; Y193-V339 HydrophobicContact CE1-CG1 4.5Å; Y193-V339 HydrophobicContact CE1-CG2 3.25Å; Y193-V339 HydrophobicContact CE2-CB 3.99Å; Y193-V339 HydrophobicContact CE2-CG1 3.54Å; Y193-V339 HydrophobicContact CE2-CG2 3.88Å; Y193-V339 HydrophobicContact CG-CG1 4.38Å; Y193-V339 HydrophobicContact CG-CG2 3.99Å; Y193-V339 VanDerWaalsContact CZ-CG2 3.43Å; Y193-W343 HydrophobicContact CD2-CH2 4.41Å; Y193-W343 HydrophobicContact CD2-CZ2 4.11Å; Y193-W343 AromaticContact CE2-CH2 3.85Å; Y193-W343 HydrophobicContact CE2-CH2 3.85Å; Y193-W343 AromaticContact CE2-CZ2 4Å; Y193-W343 HydrophobicContact CE2-CZ2 4Å
194P93.2Very high92.6Very high37 Ų3740.8 Ų40.824%0.2423%0.232CC..THydrogen-bonded Turntrans-65.9146.6178.328.7-35.2000111.8V339 E342P194-V339 WeakPolarHBondContact O-CA 3.38Å; P194-V339 VanDerWaalsContact O-CG1 3.28Å; P194-V339 WeakPolarHBondContact O-CG1 3.39Å; P194-V339 WeakPolarHBondContact O-CG2 3.32Å; P194-E342 HydrophobicContact CB-CG 4.4Å
195P93.9Very high92.9Very high6 Ų635.7 Ų35.74%0.03921%0.211CC..THydrogen-bonded Turncis-86.94.75.935.8-37.6000114.4G207 F208 W402 F403P195-G207 CarbonylContact O-C 3.4Å; P195-G207 VanDerWaalsContact O-CA 3.3Å; P195-G207 WeakPolarHBondContact O-CA 3.25Å; P195-F208 PolarHBondContact O-N 2.95Å; P195-W402 HydrophobicContact CB-CE3 3.86Å; P195-F403 HydrophobicContact CB-CE1 4.45Å; P195-F403 HydrophobicContact CG-CD1 4.02Å; P195-F403 HydrophobicContact CG-CE1 3.32Å; P195-F403 HydrophobicContact CG-CZ 3.99Å
196F95.9Very high93Very high0 Ų037.1 Ų37.10%022%0.22CC..THydrogen-bonded Turntrans-70.5-53.5-178.6-65-75.5000111.7Y193 G207 F208 D209 Y267 A338 V339 L367 F403Y193-F196 AromaticContact CD1-CD2 3.91Å; Y193-F196 HydrophobicContact CD1-CD2 3.91Å; Y193-F196 HydrophobicContact CE1-CD2 4.06Å; Y193-F196 HydrophobicContact CE1-CE2 4.45Å; Y193-F196 WeakPolarHBondContact O-CB 3.29Å; Y193-F196 PolarHBondContact O-N 3.2Å; F196-G207 CarbonylContact O-C 3.53Å; F196-G207 WeakPolarHBondContact O-CA 3.42Å; F196-F208 HydrophobicContact CD1-CB 4.45Å; F196-F208 AromaticContact CD1-CD1 3.88Å; F196-F208 HydrophobicContact CD1-CD1 3.88Å; F196-F208 HydrophobicContact CE1-CD1 4.12Å; F196-F208 PolarHBondContact O-N 2.9Å; F196-D209 PolarHBondContact O-N 3.26Å; F196-Y267 HydrophobicContact CE1-CD1 4.13Å; F196-Y267 HydrophobicContact CE1-CD2 4.38Å; F196-Y267 HydrophobicContact CE1-CE1 4.34Å; F196-Y267 HydrophobicContact CE1-CG 4.16Å; F196-Y267 AromaticContact CZ-CD1 3.95Å; F196-Y267 HydrophobicContact CZ-CD1 3.95Å; F196-Y267 AromaticContact CZ-CE1 3.81Å; F196-Y267 HydrophobicContact CZ-CE1 3.81Å; F196-Y267 HydrophobicContact CZ-CG 4.42Å; F196-A338 HydrophobicContact CE2-CB 4.03Å; F196-A338 HydrophobicContact CZ-CB 4.07Å; F196-V339 HydrophobicContact CD2-CG2 3.46Å; F196-V339 VanDerWaalsContact CD2-CG2 3.46Å; F196-V339 HydrophobicContact CE2-CG2 3.61Å; F196-L367 HydrophobicContact CD1-CD1 4.19Å; F196-L367 HydrophobicContact CE1-CD1 3.5Å; F196-L367 VanDerWaalsContact CE1-CD1 3.5Å; F196-L367 HydrophobicContact CE2-CD1 4.37Å; F196-L367 HydrophobicContact CZ-CD1 3.61Å; F196-F403 HydrophobicContact CD1-CZ 4.25Å; F196-F403 AromaticContact CE1-CZ 3.7Å; F196-F403 HydrophobicContact CE1-CZ 3.7Å; F196-F403 HydrophobicContact CZ-CE1 4.36Å; F196-F403 AromaticContact CZ-CZ 3.96Å; F196-F403 HydrophobicContact CZ-CZ 3.96Å
197E95.2Very high93Very high0 Ų035.8 Ų35.80%021%0.213CC..EExtended strand (participates in β ladder)trans-148.8140.7174.5-42.194.3105.200112.4V189 Y193 I205 V206 D209 I210 S248V189-E197 HydrophobicContact CB-CG 4.44Å; Y193-E197 CarbonylContact C-O 3.53Å; Y193-E197 WeakPolarHBondContact CA-O 3.14Å; Y193-E197 PolarHBondContact N-O 3.35Å; Y193-E197 PolarHBondContact O-N 2.81Å; Y193-E197 VanDerWaalsContact O-N 3.12Å; E197-I205 HydrophobicContact CB-CG2 4.42Å; E197-V206 CarbonylContact C-O 3.53Å; E197-V206 WeakPolarHBondContact CA-O 3.33Å; E197-D209 HydrophobicContact CG-CB 3.91Å; E197-I210 HydrophobicContact CG-CD1 4.21Å; E197-I210 HydrophobicContact CG-CG1 4.48Å; E197-S248 WeakPolarHBondContact OE1-CA 3.34Å; E197-S248 WeakPolarHBondContact OE1-CB 3.44Å; E197-S248 PolarHBondContact OE1-OG 3Å
198S94Very high93Very high28 Ų2835.8 Ų35.820%0.19621%0.213CC..EExtended strand (participates in β ladder)trans-155.9163.6176.8600000110.6A191 I205 V206A191-S198 WeakPolarHBondContact O-CA 3.2Å; S198-I205 WeakPolarHBondContact O-CA 3.17Å; S198-V206 PolarHBondContact N-O 3.47Å; S198-V206 PolarHBondContact O-N 3.04Å; S198-V206 WeakPolarHBondContact OG-CG2 3.45Å; S198-V206 PolarHBondContact OG-O 3.35Å
199I92.7Very high93Very high75 Ų7535.8 Ų35.839%0.38521%0.213SC..EExtended strand (participates in β ladder)trans-84.9116.5168.6-55.8-60.1000108.6A191 I205A191-I199 HydrophobicContact CB-CD1 3.52Å; A191-I199 HydrophobicContact CB-CG1 4.04Å; I199-I205 HydrophobicContact CD1-CG1 3.97Å
200G87.8Confident93Very high20 Ų2035.8 Ų35.821%0.20621%0.213CC..  trans-75175.4175.100000113N202 N203 E204G200-N202 PolarHBondContact O-N 3.13Å; G200-N202 VanDerWaalsContact O-N 3.12Å; G200-N203 PolarHBondContact O-N 3.33Å; G200-E204 PolarHBondContact N-O 3.27Å
201A84.5Confident93.1Very high109 Ų10937.3 Ų37.390%0.90122%0.221SC*.THydrogen-bonded Turntrans-58.2-30.6-174.100000114.2N203A201-N203 VanDerWaalsContact C-N 3.32Å; A201-N203 PolarHBondContact O-N 3.19Å
202N86.2Confident93.3Very high136 Ų13637.3 Ų37.373%0.72722%0.221SC*.THydrogen-bonded Turntrans-93.118.1-179.6-65.1-22.1000113.3G200 E204G200-N202 PolarHBondContact O-N 3.13Å; G200-N202 VanDerWaalsContact O-N 3.12Å; N202-E204 HydrophobicContact CB-CG 4.37Å; N202-E204 PolarHBondContact O-N 3.36Å
203N87.6Confident93.7Very high136 Ų13636.2 Ų36.273%0.72721%0.214SC*.SBendtrans61.522.4-175-158.361.6000113.8G200 A201G200-N203 PolarHBondContact O-N 3.33Å; A201-N203 VanDerWaalsContact C-N 3.32Å; A201-N203 PolarHBondContact O-N 3.19Å
204E92.3Very high93.9Very high101 Ų10140 Ų4047%0.47223%0.23SC..  trans-91.4151.3171.158.5177.7171.700110.6G200 N202 V206G200-E204 PolarHBondContact N-O 3.27Å; N202-E204 HydrophobicContact CB-CG 4.37Å; N202-E204 PolarHBondContact O-N 3.36Å; E204-V206 HydrophobicContact CG-CG1 3.87Å
205I94.8Very high94Very high28 Ų2838.9 Ų38.914%0.14422%0.224CC..EExtended strand (participates in β ladder)trans-84126.4175.3-47-178.9000108.3V189 A191 E197 S198 I199 I210 F226 N228V189-I205 HydrophobicContact CG2-CD1 3.62Å; V189-I205 HydrophobicContact CG2-CG2 4.15Å; A191-I205 HydrophobicContact CB-CD1 4.41Å; A191-I205 HydrophobicContact CB-CG1 4.37Å; A191-I205 HydrophobicContact CB-CG2 3.72Å; E197-I205 HydrophobicContact CB-CG2 4.42Å; S198-I205 WeakPolarHBondContact O-CA 3.17Å; I199-I205 HydrophobicContact CD1-CG1 3.97Å; I205-I210 HydrophobicContact CB-CD1 4.31Å; I205-I210 HydrophobicContact CG2-CD1 3.57Å; I205-I210 HydrophobicContact CG2-CG1 3.86Å; I205-I210 WeakPolarHBondContact O-CG2 3.33Å; I205-F226 HydrophobicContact CD1-CB 3.93Å; I205-N228 HydrophobicContact CD1-CB 3.96Å
206V95.7Very high94.2Very high33 Ų3338.6 Ų38.620%0.222%0.223CC..EExtended strand (participates in β ladder)trans-133.9154.7-177.9-59.20000110.9E197 S198 E204E197-V206 CarbonylContact C-O 3.53Å; E197-V206 WeakPolarHBondContact CA-O 3.33Å; S198-V206 PolarHBondContact N-O 3.47Å; S198-V206 PolarHBondContact O-N 3.04Å; S198-V206 WeakPolarHBondContact OG-CG2 3.45Å; S198-V206 PolarHBondContact OG-O 3.35Å; E204-V206 HydrophobicContact CG-CG1 3.87Å
207G95.9Very high94.1Very high0 Ų038.7 Ų38.70%022%0.224CC..SBendtrans146.9175.3177.700000112.3P195 F196 D209 I210 D211 W402P195-G207 CarbonylContact O-C 3.4Å; P195-G207 VanDerWaalsContact O-CA 3.3Å; P195-G207 WeakPolarHBondContact O-CA 3.25Å; F196-G207 CarbonylContact O-C 3.53Å; F196-G207 WeakPolarHBondContact O-CA 3.42Å; G207-D209 VanDerWaalsContact C-N 3.33Å; G207-D209 PolarHBondContact O-N 3.32Å; G207-I210 WeakPolarHBondContact O-CB 3.49Å; G207-I210 PolarHBondContact O-N 2.95Å; G207-I210 VanDerWaalsContact O-N 3.15Å; G207-D211 PolarHBondContact O-N 3.46Å; G207-W402 VanDerWaalsContact C-CE2 3.43Å; G207-W402 VanDerWaalsContact CA-CH2 3.43Å; G207-W402 VanDerWaalsContact CA-CZ2 3.4Å
208F97.2Very high93.9Very high0 Ų047 Ų470%026%0.259CS..Hα-helixtrans-55.7-46.2179.3173.6-97000112.3P195 F196 I210 D211 L212 Y266 Y267 Y395 I398 W402 F403P195-F208 PolarHBondContact O-N 2.95Å; F196-F208 HydrophobicContact CD1-CB 4.45Å; F196-F208 AromaticContact CD1-CD1 3.88Å; F196-F208 HydrophobicContact CD1-CD1 3.88Å; F196-F208 HydrophobicContact CE1-CD1 4.12Å; F196-F208 PolarHBondContact O-N 2.9Å; F208-I210 VanDerWaalsContact C-N 3.27Å; F208-I210 PolarHBondContact O-N 2.9Å; F208-D211 PolarHBondContact O-N 3.44Å; F208-L212 HydrophobicContact CE1-CD2 4.09Å; F208-L212 HydrophobicContact CZ-CD2 4.4Å; F208-L212 VanDerWaalsContact O-CB 3.23Å; F208-L212 WeakPolarHBondContact O-CB 3.48Å; F208-L212 PolarHBondContact O-N 2.89Å; F208-Y266 HydrophobicContact CD1-CE2 4.44Å; F208-Y266 AromaticContact CE1-CD2 3.81Å; F208-Y266 HydrophobicContact CE1-CD2 3.81Å; F208-Y266 AromaticContact CE1-CE2 3.88Å; F208-Y266 HydrophobicContact CE1-CE2 3.88Å; F208-Y267 HydrophobicContact CE1-CD2 4.4Å; F208-Y267 HydrophobicContact CZ-CD2 4.46Å; F208-Y395 AromaticContact CZ-CE2 3.86Å; F208-Y395 HydrophobicContact CZ-CE2 3.86Å; F208-I398 HydrophobicContact CD2-CG2 3.71Å; F208-I398 HydrophobicContact CE2-CG2 3.84Å; F208-W402 HydrophobicContact CB-CB 3.88Å; F208-W402 HydrophobicContact CB-CD2 4.33Å; F208-W402 HydrophobicContact CB-CG 3.75Å; F208-W402 HydrophobicContact CD2-CB 4.08Å; F208-W402 HydrophobicContact CD2-CG 4.3Å; F208-W402 HydrophobicContact CG-CB 4.44Å; F208-F403 HydrophobicContact CB-CE2 4.08Å; F208-F403 HydrophobicContact CB-CZ 4.16Å; F208-F403 HydrophobicContact CD1-CE2 4.01Å; F208-F403 HydrophobicContact CD1-CZ 4.32Å; F208-F403 HydrophobicContact CD2-CD2 4.12Å; F208-F403 AromaticContact CD2-CE2 3.44Å; F208-F403 HydrophobicContact CD2-CE2 3.44Å; F208-F403 VanDerWaalsContact CD2-CE2 3.44Å; F208-F403 HydrophobicContact CD2-CZ 4.33Å; F208-F403 HydrophobicContact CE1-CE2 4.29Å; F208-F403 HydrophobicContact CE2-CD2 4.33Å; F208-F403 AromaticContact CE2-CE2 3.79Å; F208-F403 HydrophobicContact CE2-CE2 3.79Å; F208-F403 AromaticContact CG-CE2 3.56Å; F208-F403 HydrophobicContact CG-CE2 3.56Å; F208-F403 HydrophobicContact CG-CZ 4.02Å; F208-F403 HydrophobicContact CZ-CE2 4.18Å
209D97.7Very high93.8Very high0 Ų050 Ų500%027%0.27CS..Hα-helixtrans-64.8-35.2-179.9-84.410.5000111.1F196 E197 G207 A213 I247 S248 G249 Y266F196-D209 PolarHBondContact O-N 3.26Å; E197-D209 HydrophobicContact CG-CB 3.91Å; G207-D209 VanDerWaalsContact C-N 3.33Å; G207-D209 PolarHBondContact O-N 3.32Å; D209-A213 VanDerWaalsContact O-CB 3.28Å; D209-A213 WeakPolarHBondContact O-CB 3.45Å; D209-A213 PolarHBondContact O-N 3.35Å; D209-I247 HydrophobicContact CB-CD1 4.1Å; D209-I247 HydrophobicContact CB-CG1 3.85Å; D209-I247 WeakPolarHBondContact O-CD1 3.31Å; D209-S248 WeakPolarHBondContact OD2-CA 3.23Å; D209-S248 PolarHBondContact OD2-N 3.38Å; D209-G249 PolarHBondContact OD2-N 3.49Å; D209-Y266 VanDerWaalsContact CG-OH 3.28Å; D209-Y266 VanDerWaalsContact OD1-CE2 3.25Å; D209-Y266 WeakPolarHBondContact OD1-CE2 3.46Å; D209-Y266 PolarHBondContact OD1-OH 2.84Å; D209-Y266 PolarHBondContact OD2-OH 2.85Å
210I97.5Very high93.7Very high0 Ų047.9 Ų47.90%026%0.26CS..Hα-helixtrans-69.2-45.6178.1-52.1-55.5000111.1V189 E197 I205 G207 F208 L212 A213 K214 F226V189-I210 HydrophobicContact CG1-CD1 4.1Å; E197-I210 HydrophobicContact CG-CD1 4.21Å; E197-I210 HydrophobicContact CG-CG1 4.48Å; I205-I210 HydrophobicContact CB-CD1 4.31Å; I205-I210 HydrophobicContact CG2-CD1 3.57Å; I205-I210 HydrophobicContact CG2-CG1 3.86Å; I205-I210 WeakPolarHBondContact O-CG2 3.33Å; G207-I210 WeakPolarHBondContact O-CB 3.49Å; G207-I210 PolarHBondContact O-N 2.95Å; G207-I210 VanDerWaalsContact O-N 3.15Å; F208-I210 VanDerWaalsContact C-N 3.27Å; F208-I210 PolarHBondContact O-N 2.9Å; I210-L212 VanDerWaalsContact C-N 3.34Å; I210-A213 PolarHBondContact O-N 2.86Å; I210-K214 HydrophobicContact CG2-CD 4.22Å; I210-K214 WeakPolarHBondContact O-CB 3.1Å; I210-K214 VanDerWaalsContact O-CG 3.29Å; I210-K214 WeakPolarHBondContact O-CG 3.49Å; I210-K214 PolarHBondContact O-N 2.83Å; I210-F226 HydrophobicContact CD1-CD1 3.62Å; I210-F226 HydrophobicContact CD1-CE1 3.77Å; I210-F226 HydrophobicContact CD1-CG 4.16Å; I210-F226 HydrophobicContact CD1-CZ 4.43Å; I210-F226 HydrophobicContact CG2-CD2 4.33Å; I210-F226 HydrophobicContact CG2-CE1 4.18Å; I210-F226 HydrophobicContact CG2-CE2 3.83Å; I210-F226 HydrophobicContact CG2-CZ 3.74Å
211D97.1Very high93.7Very high37 Ų3750.8 Ų50.820%0.19827%0.268CS..Hα-helixtrans-67.8-37.8178.4-76.8-9.6000111.2G207 F208 K214 A215 I398 Q401 W402G207-D211 PolarHBondContact O-N 3.46Å; F208-D211 PolarHBondContact O-N 3.44Å; D211-K214 PolarHBondContact O-N 3.36Å; D211-A215 WeakPolarHBondContact O-CB 2.96Å; D211-A215 PolarHBondContact O-N 3.41Å; D211-I398 HydrophobicContact CB-CG2 3.86Å; D211-Q401 PolarHBondContact OD2-NE2 3.42Å; D211-W402 PolarHBondContact OD2-NE1 3.29Å
212L98.1Very high93.9Very high0 Ų046 Ų460%023%0.229CC..Hα-helixtrans-60.9-50.8172.2-179.660.9000111F208 I210 K214 A215 L216 I247 Y266 L386 I389 Y395F208-L212 HydrophobicContact CE1-CD2 4.09Å; F208-L212 HydrophobicContact CZ-CD2 4.4Å; F208-L212 VanDerWaalsContact O-CB 3.23Å; F208-L212 WeakPolarHBondContact O-CB 3.48Å; F208-L212 PolarHBondContact O-N 2.89Å; I210-L212 VanDerWaalsContact C-N 3.34Å; L212-K214 PolarHBondContact O-N 2.84Å; L212-A215 WeakPolarHBondContact O-CB 3.46Å; L212-A215 PolarHBondContact O-N 2.93Å; L212-A215 VanDerWaalsContact O-N 3.16Å; L212-L216 HydrophobicContact CD1-CG 4.46Å; L212-L216 HydrophobicContact CG-CD1 4.24Å; L212-L216 VanDerWaalsContact O-CG 3.3Å; L212-L216 WeakPolarHBondContact O-CG 3.4Å; L212-L216 PolarHBondContact O-N 2.87Å; L212-I247 HydrophobicContact CB-CD1 4.44Å; L212-I247 HydrophobicContact CD2-CD1 4.14Å; L212-I247 HydrophobicContact CG-CD1 4.34Å; L212-Y266 HydrophobicContact CD2-CD1 4.23Å; L212-Y266 HydrophobicContact CD2-CD2 3.44Å; L212-Y266 VanDerWaalsContact CD2-CD2 3.44Å; L212-Y266 HydrophobicContact CD2-CE2 4Å; L212-Y266 HydrophobicContact CD2-CG 3.56Å; L212-L386 HydrophobicContact CD1-CD1 4.23Å; L212-I389 HydrophobicContact CD1-CD1 3.5Å; L212-Y395 HydrophobicContact CD1-CD2 4.17Å
213A97.7Very high94Very high0 Ų043.6 Ų43.60%021%0.213CC..Hα-helixtrans-59.7-43.9177.500000112.3F187 D209 I210 A215 L216 C217 C224 F226 I247F187-A213 HydrophobicContact CE1-CB 4.41Å; F187-A213 HydrophobicContact CE2-CB 4.46Å; F187-A213 HydrophobicContact CZ-CB 4.37Å; D209-A213 VanDerWaalsContact O-CB 3.28Å; D209-A213 WeakPolarHBondContact O-CB 3.45Å; D209-A213 PolarHBondContact O-N 3.35Å; I210-A213 PolarHBondContact O-N 2.86Å; A213-A215 VanDerWaalsContact C-N 3.32Å; A213-A215 PolarHBondContact O-N 3.47Å; A213-L216 PolarHBondContact O-N 3.4Å; A213-C217 WeakPolarHBondContact O-CB 3.27Å; A213-C217 PolarHBondContact O-N 3.17Å; A213-C224 PolarHBondContact O-SG 3.13Å; A213-F226 HydrophobicContact CB-CE1 3.6Å; A213-F226 HydrophobicContact CB-CZ 3.77Å; A213-I247 HydrophobicContact CB-CD1 4.15Å; A213-I247 HydrophobicContact CB-CG2 4.15Å
214K96.4Very high94.2Very high93 Ų9338.3 Ų38.340%0.40419%0.186SC..Hα-helixtrans-60.1-41.1175-75.2171.3-177.9168.50111.7I210 D211 L212 C217 K218 F226I210-K214 HydrophobicContact CG2-CD 4.22Å; I210-K214 WeakPolarHBondContact O-CB 3.1Å; I210-K214 VanDerWaalsContact O-CG 3.29Å; I210-K214 WeakPolarHBondContact O-CG 3.49Å; I210-K214 PolarHBondContact O-N 2.83Å; D211-K214 PolarHBondContact O-N 3.36Å; L212-K214 PolarHBondContact O-N 2.84Å; K214-C217 PolarHBondContact O-N 3.43Å; K214-K218 WeakPolarHBondContact O-CB 3.49Å; K214-K218 PolarHBondContact O-N 3.2Å; K214-F226 HydrophobicContact CG-CE2 4.2Å; K214-F226 HydrophobicContact CG-CZ 4.13Å
215A96.7Very high94.3Very high14 Ų1436.1 Ų36.112%0.11618%0.18CC..Hα-helixtrans-66-42.7176.400000112.2D211 L212 A213 K218 Q219 I389 T394 I398D211-A215 WeakPolarHBondContact O-CB 2.96Å; D211-A215 PolarHBondContact O-N 3.41Å; L212-A215 WeakPolarHBondContact O-CB 3.46Å; L212-A215 PolarHBondContact O-N 2.93Å; L212-A215 VanDerWaalsContact O-N 3.16Å; A213-A215 VanDerWaalsContact C-N 3.32Å; A213-A215 PolarHBondContact O-N 3.47Å; A215-K218 PolarHBondContact O-N 2.99Å; A215-Q219 WeakPolarHBondContact O-CB 3.38Å; A215-Q219 PolarHBondContact O-N 3.43Å; A215-I389 HydrophobicContact CB-CD1 4.4Å; A215-T394 HydrophobicContact CB-CG2 4.05Å; A215-I398 HydrophobicContact CB-CD1 3.61Å
216L96.5Very high94.4Very high0 Ų037 Ų370%018%0.183CC..Hα-helixtrans-60.5-48.5173.9-67172000111.1L212 A213 K218 Q219 M220 I369 L382 A385 L386 I389L212-L216 HydrophobicContact CD1-CG 4.46Å; L212-L216 HydrophobicContact CG-CD1 4.24Å; L212-L216 VanDerWaalsContact O-CG 3.3Å; L212-L216 WeakPolarHBondContact O-CG 3.4Å; L212-L216 PolarHBondContact O-N 2.87Å; A213-L216 PolarHBondContact O-N 3.4Å; L216-K218 VanDerWaalsContact C-N 3.34Å; L216-K218 PolarHBondContact O-N 2.84Å; L216-Q219 WeakPolarHBondContact O-CB 3.37Å; L216-Q219 PolarHBondContact O-N 3.48Å; L216-M220 HydrophobicContact CB-CE 4.24Å; L216-M220 WeakPolarHBondContact O-CE 3.05Å; L216-M220 WeakPolarHBondContact O-CG 3.46Å; L216-M220 PolarHBondContact O-N 3.48Å; L216-I369 HydrophobicContact CD1-CD1 3.42Å; L216-I369 VanDerWaalsContact CD1-CD1 3.42Å; L216-L382 HydrophobicContact CD1-CD2 4.29Å; L216-A385 HydrophobicContact CD2-CB 3.74Å; L216-L386 HydrophobicContact CD2-CB 3.91Å; L216-L386 HydrophobicContact CD2-CD1 4.3Å; L216-L386 VanDerWaalsContact CD2-N 3.32Å; L216-I389 HydrophobicContact CD2-CD1 3.55Å; L216-I389 HydrophobicContact CD2-CG1 4.18Å; L216-I389 HydrophobicContact CG-CD1 4.02Å
217C93.9Very high94.4Very high3 Ų337.5 Ų37.52%0.0219%0.186CC..Hα-helixtrans-59.3-43.5176-90.20000112.2A213 K214 Q219 M220 Q221 A222 C224A213-C217 WeakPolarHBondContact O-CB 3.27Å; A213-C217 PolarHBondContact O-N 3.17Å; K214-C217 PolarHBondContact O-N 3.43Å; C217-Q219 VanDerWaalsContact C-N 3.3Å; C217-Q219 PolarHBondContact O-N 2.01Å; C217-M220 CarbonylContact O-C 3.56Å; C217-M220 PolarHBondContact O-N 3.08Å; C217-Q221 PolarHBondContact O-N 3.32Å; C217-A222 HydrophobicContact CB-CB 4.25Å; C217-A222 WeakPolarHBondContact CB-O 3.03Å; C217-A222 PolarHBondContact O-N 2.95Å; C217-C224 HydrophobicContact CB-CB 3.79Å; C217-C224 WeakPolarHBondContact CB-SG 3.41Å; C217-C224 WeakPolarHBondContact SG-CA 3.49Å; C217-C224 WeakPolarHBondContact SG-CB 3.43Å; C217-C224 CovalentContact SG-SG 2.01Å; C217-C224 PolarHBondContact SG-SG 2.94Å
218K92.5Very high94.4Very high173 Ų17341 Ų4175%0.75221%0.205SC*.Hα-helixtrans-59.2-43175.5-175.5-178.3177.9-173.80111.6K214 A215 L216 M220 Q221K214-K218 WeakPolarHBondContact O-CB 3.49Å; K214-K218 PolarHBondContact O-N 3.2Å; A215-K218 PolarHBondContact O-N 2.99Å; L216-K218 VanDerWaalsContact C-N 3.34Å; L216-K218 PolarHBondContact O-N 2.84Å; K218-M220 VanDerWaalsContact C-N 3.34Å; K218-Q221 PolarHBondContact O-N 2.9Å
219Q90.7Very high94.2Very high91 Ų9144.4 Ų44.443%0.42522%0.22SC..Hα-helixtrans-65.5-37.1177.5-175.162.211.800112.4A215 L216 C217 Q221 A385 A388 I389A215-Q219 WeakPolarHBondContact O-CB 3.38Å; A215-Q219 PolarHBondContact O-N 3.43Å; L216-Q219 WeakPolarHBondContact O-CB 3.37Å; L216-Q219 PolarHBondContact O-N 3.48Å; C217-Q219 VanDerWaalsContact C-N 3.3Å; C217-Q219 PolarHBondContact O-N 2.01Å; Q219-Q221 VanDerWaalsContact C-N 3.27Å; Q219-Q221 PolarHBondContact O-N 3.27Å; Q219-A385 HydrophobicContact CB-CB 4.23Å; Q219-A385 HydrophobicContact CG-CB 4.08Å; Q219-A388 HydrophobicContact CG-CB 4.11Å; Q219-I389 HydrophobicContact CB-CG2 4.04Å; Q219-I389 HydrophobicContact CG-CG2 4.21Å
220M91.1Very high94Very high32 Ų3246.3 Ų46.316%0.15824%0.236CC..THydrogen-bonded Turntrans-82.4-1.6176-64-177.4-63.100113.7I185 L216 C217 K218 A222 K381 L382 A385I185-M220 HydrophobicContact CD1-CE 3.39Å; I185-M220 HydrophobicContact CD1-SD 4.31Å; L216-M220 HydrophobicContact CB-CE 4.24Å; L216-M220 WeakPolarHBondContact O-CE 3.05Å; L216-M220 WeakPolarHBondContact O-CG 3.46Å; L216-M220 PolarHBondContact O-N 3.48Å; C217-M220 CarbonylContact O-C 3.56Å; C217-M220 PolarHBondContact O-N 3.08Å; K218-M220 VanDerWaalsContact C-N 3.34Å; M220-A222 HydrophobicContact CB-CB 4.15Å; M220-A222 PolarHBondContact O-N 2.96Å; M220-K381 HydrophobicContact SD-CB 3.71Å; M220-L382 HydrophobicContact CE-CD2 3.71Å; M220-L382 HydrophobicContact SD-CD2 4.16Å; M220-L382 HydrophobicContact SD-CG 4.47Å; M220-A385 HydrophobicContact CG-CB 3.65Å; M220-A385 HydrophobicContact SD-CB 4.14Å
221Q86.7Confident93.8Very high80 Ų8047.2 Ų47.237%0.37424%0.24SC..THydrogen-bonded Turntrans5341.7-171.7-49.9-177.7-33.100112.9M180 F182 C217 K218 Q219M180-Q221 HydrophobicContact CE-CB 3.93Å; M180-Q221 HydrophobicContact CE-CG 4.19Å; M180-Q221 HydrophobicContact SD-CB 3.43Å; M180-Q221 WeakPolarHBondContact SD-CB 3.43Å; M180-Q221 HydrophobicContact SD-CG 4.23Å; M180-Q221 PolarHBondContact SD-OE1 2.89Å; F182-Q221 VanDerWaalsContact CD1-O 3.23Å; F182-Q221 WeakPolarHBondContact CD1-O 3.34Å; C217-Q221 PolarHBondContact O-N 3.32Å; K218-Q221 PolarHBondContact O-N 2.9Å; Q219-Q221 VanDerWaalsContact C-N 3.27Å; Q219-Q221 PolarHBondContact O-N 3.27Å
222A89Confident93.7Very high10 Ų1049.5 Ų49.58%0.08325%0.252CS..EExtended strand (participates in β ladder)trans-110.2156.3-179.200000111.6E183 I185 C217 M220E183-A222 HydrophobicContact CB-CB 4.29Å; E183-A222 CarbonylContact O-C 3.46Å; E183-A222 WeakPolarHBondContact O-CA 3.41Å; E183-A222 WeakPolarHBondContact O-CB 3.23Å; I185-A222 HydrophobicContact CD1-CB 3.67Å; I185-A222 HydrophobicContact CG1-CB 4.12Å; C217-A222 HydrophobicContact CB-CB 4.25Å; C217-A222 WeakPolarHBondContact CB-O 3.03Å; C217-A222 PolarHBondContact O-N 2.95Å; M220-A222 HydrophobicContact CB-CB 4.15Å; M220-A222 PolarHBondContact O-N 2.96Å
223E88.4Confident93.5Very high85 Ų8551 Ų5140%0.39726%0.263SS..EExtended strand (participates in β ladder)trans-97.2116.9170.6-175.7-174.3160.900108.9F182 E183 K184 I185F182-E223 HydrophobicContact CB-CB 4.02Å; E183-E223 PolarHBondContact O-N 2.6Å; K184-E223 CarbonylContact C-O 3.56Å; K184-E223 WeakPolarHBondContact CA-O 3.45Å; K184-E223 WeakPolarHBondContact CE-OE2 3.46Å; K184-E223 HydrophobicContact CG-CB 4.25Å; K184-E223 IonicContact NZ-OE1 3.65Å; K184-E223 IonicContact NZ-OE2 3.6Å; I185-E223 PolarHBondContact N-O 3.05Å
224C92.8Very high93.5Very high24 Ų2451 Ų5116%0.16226%0.263CS..EExtended strand (participates in β ladder)trans-88.7132.3177-92.90000111.2I185 F187 A213 C217 F226I185-C224 WeakPolarHBondContact O-CA 3.33Å; F187-C224 HydrophobicContact CD2-CB 4.47Å; F187-C224 HydrophobicContact CE2-CB 4.42Å; F187-C224 WeakPolarHBondContact CE2-SG 3.44Å; A213-C224 PolarHBondContact O-SG 3.13Å; C217-C224 HydrophobicContact CB-CB 3.79Å; C217-C224 WeakPolarHBondContact CB-SG 3.41Å; C217-C224 WeakPolarHBondContact SG-CA 3.49Å; C217-C224 WeakPolarHBondContact SG-CB 3.43Å; C217-C224 CovalentContact SG-SG 2.01Å; C217-C224 PolarHBondContact SG-SG 2.94Å; C224-F226 HydrophobicContact CB-CE2 4.25Å; C224-F226 HydrophobicContact CB-CZ 4.17Å
225T94.9Very high93.5Very high56 Ų5647.3 Ų47.334%0.34425%0.247SC..EExtended strand (participates in β ladder)trans-121.2156.9164.663.40000110.4I185 N186 F187I185-T225 PolarHBondContact O-N 3.14Å; N186-T225 WeakPolarHBondContact CA-OG1 3.23Å; N186-T225 PolarHBondContact OD1-O 2.97Å; N186-T225 PolarHBondContact OD1-OG1 3.38Å; F187-T225 PolarHBondContact N-O 2.91Å
226F96.4Very high93.5Very high46 Ų4649.4 Ų49.420%0.20226%0.26CS..EExtended strand (participates in β ladder)trans-125.4131.6-176.6-56.9-85.5000110.7F187 V189 I205 I210 A213 K214 C224F187-F226 HydrophobicContact CB-CD1 3.82Å; F187-F226 HydrophobicContact CB-CE1 4.11Å; F187-F226 HydrophobicContact CD2-CE1 4.45Å; F187-F226 HydrophobicContact CG-CE1 4.37Å; F187-F226 CarbonylContact O-C 3.46Å; F187-F226 WeakPolarHBondContact O-CA 3.38Å; V189-F226 HydrophobicContact CG1-CD1 3.89Å; V189-F226 HydrophobicContact CG2-CB 4.42Å; I205-F226 HydrophobicContact CD1-CB 3.93Å; I210-F226 HydrophobicContact CD1-CD1 3.62Å; I210-F226 HydrophobicContact CD1-CE1 3.77Å; I210-F226 HydrophobicContact CD1-CG 4.16Å; I210-F226 HydrophobicContact CD1-CZ 4.43Å; I210-F226 HydrophobicContact CG2-CD2 4.33Å; I210-F226 HydrophobicContact CG2-CE1 4.18Å; I210-F226 HydrophobicContact CG2-CE2 3.83Å; I210-F226 HydrophobicContact CG2-CZ 3.74Å; A213-F226 HydrophobicContact CB-CE1 3.6Å; A213-F226 HydrophobicContact CB-CZ 3.77Å; K214-F226 HydrophobicContact CG-CE2 4.2Å; K214-F226 HydrophobicContact CG-CZ 4.13Å; C224-F226 HydrophobicContact CB-CE2 4.25Å; C224-F226 HydrophobicContact CB-CZ 4.17Å
227T95.5Very high93.5Very high44 Ų4450.3 Ų50.327%0.2727%0.266SS..EExtended strand (participates in β ladder)trans-118.8117.1178.1-52.90000109.6N186 F187 V189N186-T227 PolarHBondContact ND2-OG1 2.69Å; N186-T227 PolarHBondContact OD1-OG1 3.44Å; F187-T227 PolarHBondContact O-N 2.87Å; V189-T227 PolarHBondContact N-O 3.16Å
228N94.9Very high93.7Very high74 Ų7450.2 Ų50.240%0.39627%0.265SS..EExtended strand (participates in β ladder)trans-80.1129.7-179.1-171.932.3000111.9V189 A191 I205V189-N228 CarbonylContact O-C 3.42Å; V189-N228 WeakPolarHBondContact O-CA 3.37Å; V189-N228 PolarHBondContact O-OD1 3.5Å; A191-N228 WeakPolarHBondContact CB-OD1 3.4Å; A191-N228 PolarHBondContact N-OD1 2.81Å; I205-N228 HydrophobicContact CD1-CB 3.96Å
229H93.5Very high93.8Very high70 Ų7047.2 Ų47.232%0.32425%0.252SS..  trans-146.8160.6175.8-81.2-75.5000110.8V189 S190 L234 Y243V189-H229 PolarHBondContact O-N 3.21Å; S190-H229 WeakPolarHBondContact CA-O 3.31Å; S190-H229 WeakPolarHBondContact CB-O 3.25Å; H229-L234 HydrophobicContact CB-CD2 4.18Å; H229-Y243 AromaticContact CD2-CE1 3.91Å
230A93.1Very high94Very high40 Ų4050.8 Ų50.833%0.33127%0.267SS..  trans-61.7142.917100000110.7D232 S233A230-D232 VanDerWaalsContact C-N 3.34Å; A230-D232 WeakPolarHBondContact CB-OD1 3.49Å; A230-D232 PolarHBondContact O-N 2.76Å; A230-S233 PolarHBondContact O-N 2.92Å; A230-S233 VanDerWaalsContact O-N 3.08Å; A230-S233 PolarHBondContact O-OG 3.21Å
231F94.5Very high94.1Very high20 Ų2056.7 Ų56.79%0.08829%0.287CS..G310 helixtrans-58.4-40.9-170.3-178.1-93.2000113.7S233 L234 S248 M250 R256 E294 T297F231-S233 PolarHBondContact O-N 3.14Å; F231-L234 HydrophobicContact CB-CD1 4.46Å; F231-L234 HydrophobicContact CD2-CD1 3.7Å; F231-L234 HydrophobicContact CE2-CD1 4.25Å; F231-L234 HydrophobicContact CG-CD1 4.26Å; F231-L234 VanDerWaalsContact O-CB 3.28Å; F231-L234 WeakPolarHBondContact O-CB 3.3Å; F231-L234 WeakPolarHBondContact O-CG 3.48Å; F231-L234 PolarHBondContact O-N 3.41Å; F231-L234 VanDerWaalsContact O-N 3.09Å; F231-S248 WeakPolarHBondContact CE2-O 3.42Å; F231-M250 HydrophobicContact CE2-CB 4.47Å; F231-M250 HydrophobicContact CE2-CE 4.02Å; F231-M250 HydrophobicContact CZ-CE 4.06Å; F231-M250 HydrophobicContact CZ-CG 4.32Å; F231-R256 VanDerWaalsContact CE1-NH2 3.3Å; F231-E294 HydrophobicContact CB-CG 4.21Å; F231-E294 WeakPolarHBondContact CB-OE1 3.4Å; F231-T297 HydrophobicContact CD1-CG2 3.91Å; F231-T297 HydrophobicContact CE1-CG2 3.98Å
232D93.7Very high94.5Very high84 Ų8459.6 Ų59.645%0.44930%0.298SS..G310 helixtrans-63.1-28.6178.969.2-30.3000113.6A230 L234 P236 N295A230-D232 VanDerWaalsContact C-N 3.34Å; A230-D232 WeakPolarHBondContact CB-OD1 3.49Å; A230-D232 PolarHBondContact O-N 2.76Å; D232-L234 VanDerWaalsContact C-N 3.28Å; D232-L234 PolarHBondContact O-N 2.73Å; D232-P236 WeakPolarHBondContact O-CD 3.49Å; D232-N295 HydrophobicContact CB-CB 4.16Å
233S95.4Very high94.9Very high32 Ų3259.2 Ų59.222%0.22430%0.295CS..G310 helixtrans-81.8-5.6178.278.60000113.4A230 F231 S237A230-S233 PolarHBondContact O-N 2.92Å; A230-S233 VanDerWaalsContact O-N 3.08Å; A230-S233 PolarHBondContact O-OG 3.21Å; F231-S233 PolarHBondContact O-N 3.14Å; S233-S237 WeakPolarHBondContact O-CB 3.39Å; S233-S237 PolarHBondContact O-N 3Å; S233-S237 PolarHBondContact O-OG 3.01Å
234L96.5Very high95.2Very high0 Ų057.4 Ų57.40%029%0.288CS..Hα-helixtrans-66.4-56.3-170.3-70.1173.3000112.9H229 F231 D232 S237 L238 Y243 V246 M250H229-L234 HydrophobicContact CB-CD2 4.18Å; F231-L234 HydrophobicContact CB-CD1 4.46Å; F231-L234 HydrophobicContact CD2-CD1 3.7Å; F231-L234 HydrophobicContact CE2-CD1 4.25Å; F231-L234 HydrophobicContact CG-CD1 4.26Å; F231-L234 VanDerWaalsContact O-CB 3.28Å; F231-L234 WeakPolarHBondContact O-CB 3.3Å; F231-L234 WeakPolarHBondContact O-CG 3.48Å; F231-L234 PolarHBondContact O-N 3.41Å; F231-L234 VanDerWaalsContact O-N 3.09Å; D232-L234 VanDerWaalsContact C-N 3.28Å; D232-L234 PolarHBondContact O-N 2.73Å; L234-S237 PolarHBondContact O-N 2.95Å; L234-L238 WeakPolarHBondContact O-CB 3.29Å; L234-L238 PolarHBondContact O-N 3.38Å; L234-Y243 VanDerWaalsContact C-OH 3.26Å; L234-Y243 WeakPolarHBondContact CA-OH 3.46Å; L234-Y243 WeakPolarHBondContact CD2-OH 3.36Å; L234-Y243 PolarHBondContact O-OH 3.17Å; L234-V246 HydrophobicContact CB-CG1 4.06Å; L234-V246 HydrophobicContact CB-CG2 4.24Å; L234-V246 HydrophobicContact CD1-CG1 3.84Å; L234-V246 HydrophobicContact CD2-CG1 4.4Å; L234-V246 HydrophobicContact CG-CG1 4.33Å; L234-M250 HydrophobicContact CB-CE 4.05Å; L234-M250 HydrophobicContact CD1-CE 4.01Å
235I96.7Very high95.5Very high16 Ų1656.3 Ų56.38%0.08228%0.281CS..Hα-helixtrans-63-45.3179.2-69173.8000112.1S237 L238 K239 M250 R256 Q259 V260I235-S237 VanDerWaalsContact C-N 3.34Å; I235-S237 PolarHBondContact O-N 3Å; I235-L238 WeakPolarHBondContact O-CB 3.23Å; I235-L238 PolarHBondContact O-N 3.16Å; I235-K239 HydrophobicContact CG2-CD 4.32Å; I235-K239 WeakPolarHBondContact O-CG 3.36Å; I235-K239 PolarHBondContact O-N 3.42Å; I235-M250 HydrophobicContact CD1-CE 4.38Å; I235-M250 HydrophobicContact CD1-SD 3.93Å; I235-M250 HydrophobicContact CG1-CE 4.11Å; I235-M250 HydrophobicContact CG1-SD 4.04Å; I235-R256 HydrophobicContact CD1-CB 3.95Å; I235-R256 HydrophobicContact CD1-CG 3.58Å; I235-Q259 HydrophobicContact CG2-CB 4.11Å; I235-V260 HydrophobicContact CD1-CG2 4.43Å; I235-V260 HydrophobicContact CG1-CG1 4.46Å; I235-V260 HydrophobicContact CG2-CG1 3.87Å
236P96.5Very high95.7Very high57 Ų5753.6 Ų53.637%0.3726%0.264SS..Hα-helixtrans-55.3-46.6173.2-27.835.2000113D232 L238 K239 F240D232-P236 WeakPolarHBondContact O-CD 3.49Å; P236-L238 PolarHBondContact O-N 2.81Å; P236-K239 WeakPolarHBondContact O-CB 3.44Å; P236-K239 PolarHBondContact O-N 3.16Å; P236-F240 WeakPolarHBondContact O-CD2 3.5Å; P236-F240 PolarHBondContact O-N 3.46Å; P236-F240 VanDerWaalsContact O-N 3.11Å
237S97.1Very high95.7Very high20 Ų2051.4 Ų51.414%0.1426%0.255CS..Hα-helixtrans-69.3-33.5-178.1-62.10000112.8S233 L234 I235 K239 F240 R241 K242 Y243S233-S237 WeakPolarHBondContact O-CB 3.39Å; S233-S237 PolarHBondContact O-N 3Å; S233-S237 PolarHBondContact O-OG 3.01Å; L234-S237 PolarHBondContact O-N 2.95Å; I235-S237 VanDerWaalsContact C-N 3.34Å; I235-S237 PolarHBondContact O-N 3Å; S237-K239 VanDerWaalsContact C-N 3.33Å; S237-K239 PolarHBondContact O-N 2.94Å; S237-F240 CarbonylContact O-C 3.55Å; S237-F240 PolarHBondContact O-N 2.91Å; S237-R241 PolarHBondContact O-N 2.86Å; S237-K242 PolarHBondContact O-N 3.23Å; S237-Y243 WeakPolarHBondContact CB-OH 3.43Å
238L97.4Very high95.8Very high0 Ų049.5 Ų49.50%024%0.243CC..Hα-helixtrans-58-45170.9-177.954.3000111.5L234 I235 P236 F240 R241 Y243 V246 V260 A370 R372L234-L238 WeakPolarHBondContact O-CB 3.29Å; L234-L238 PolarHBondContact O-N 3.38Å; I235-L238 WeakPolarHBondContact O-CB 3.23Å; I235-L238 PolarHBondContact O-N 3.16Å; P236-L238 PolarHBondContact O-N 2.81Å; L238-F240 VanDerWaalsContact C-N 3.33Å; L238-F240 PolarHBondContact O-N 3.41Å; L238-R241 PolarHBondContact O-N 3.22Å; L238-R241 VanDerWaalsContact O-N 3.07Å; L238-Y243 HydrophobicContact CB-CD2 4.27Å; L238-Y243 HydrophobicContact CB-CE2 3.7Å; L238-Y243 HydrophobicContact CD1-CD2 3.96Å; L238-Y243 HydrophobicContact CD1-CE2 4.22Å; L238-V246 HydrophobicContact CB-CG2 4.18Å; L238-V246 HydrophobicContact CD2-CG2 4.02Å; L238-V246 HydrophobicContact CG-CG2 4.49Å; L238-V260 HydrophobicContact CD2-CB 4.39Å; L238-V260 HydrophobicContact CD2-CG1 3.71Å; L238-A370 HydrophobicContact CD2-CB 3.97Å; L238-R372 HydrophobicContact CD1-CG 4.07Å; L238-R372 HydrophobicContact CG-CG 4.02Å; L238-R372 WeakPolarHBondContact O-CD 3.5Å; L238-R372 WeakPolarHBondContact O-CG 3.28Å; L238-R372 PolarHBondContact O-NH1 2.87Å
239K95Very high95.7Very high111 Ų11146.2 Ų46.248%0.48323%0.227SC..Hα-helixtrans-65.4-36.2178.1-67.9169.966.2-178.80111.9I235 P236 S237 R241I235-K239 HydrophobicContact CG2-CD 4.32Å; I235-K239 WeakPolarHBondContact O-CG 3.36Å; I235-K239 PolarHBondContact O-N 3.42Å; P236-K239 WeakPolarHBondContact O-CB 3.44Å; P236-K239 PolarHBondContact O-N 3.16Å; S237-K239 VanDerWaalsContact C-N 3.33Å; S237-K239 PolarHBondContact O-N 2.94Å; K239-R241 PolarHBondContact O-N 3.43Å
240F95.1Very high95.8Very high166 Ų16643 Ų4373%0.72821%0.211SC*.THydrogen-bonded Turntrans-79.59.7173.2-72-65.4000114.2P236 S237 L238 K242P236-F240 WeakPolarHBondContact O-CD2 3.5Å; P236-F240 PolarHBondContact O-N 3.46Å; P236-F240 VanDerWaalsContact O-N 3.11Å; S237-F240 CarbonylContact O-C 3.55Å; S237-F240 PolarHBondContact O-N 2.91Å; L238-F240 VanDerWaalsContact C-N 3.33Å; L238-F240 PolarHBondContact O-N 3.41Å; F240-K242 PolarHBondContact O-N 3.47Å
241R93.9Very high95.9Very high156 Ų15641.2 Ų41.259%0.58920%0.197SC*.THydrogen-bonded Turntrans5932.1175.2-53.6178.3179-96.3-8.5113.5S237 L238 K239 D374S237-R241 PolarHBondContact O-N 2.86Å; L238-R241 PolarHBondContact O-N 3.22Å; L238-R241 VanDerWaalsContact O-N 3.07Å; K239-R241 PolarHBondContact O-N 3.43Å; R241-D374 IonicContact CZ-OD2 3.19Å; R241-D374 IonicContact NH1-OD2 2.72Å; R241-D374 IonicContact NH2-OD2 3.33Å; R241-D374 PolarHBondContact NH2-OD2 2.76Å
242K94.6Very high95.8Very high140 Ų14041.5 Ų41.561%0.60920%0.199SC*.SBendtrans-69.2-26.1171.7-68-66.1-174177.20112.4N186 S237 F240N186-K242 PolarHBondContact ND2-O 2.86Å; S237-K242 PolarHBondContact O-N 3.23Å; F240-K242 PolarHBondContact O-N 3.47Å
243Y96Very high95.7Very high2 Ų238 Ų381%0.00818%0.181CC..SBendtrans-152.3172.4173.135.6-103.3000109.4N186 H229 L234 S237 L238 A245 V246 R372N186-Y243 VanDerWaalsContact O-CB 3.31Å; N186-Y243 WeakPolarHBondContact O-CB 3.38Å; H229-Y243 AromaticContact CD2-CE1 3.91Å; L234-Y243 VanDerWaalsContact C-OH 3.26Å; L234-Y243 WeakPolarHBondContact CA-OH 3.46Å; L234-Y243 WeakPolarHBondContact CD2-OH 3.36Å; L234-Y243 PolarHBondContact O-OH 3.17Å; S237-Y243 WeakPolarHBondContact CB-OH 3.43Å; L238-Y243 HydrophobicContact CB-CD2 4.27Å; L238-Y243 HydrophobicContact CB-CE2 3.7Å; L238-Y243 HydrophobicContact CD1-CD2 3.96Å; L238-Y243 HydrophobicContact CD1-CE2 4.22Å; Y243-A245 WeakPolarHBondContact CD2-O 3.34Å; Y243-V246 HydrophobicContact CD2-CG2 3.95Å; Y243-V246 HydrophobicContact CE2-CG2 3.26Å; Y243-R372 PolarHBondContact O-NH1 2.99Å
244D96.5Very high95.5Very high48 Ų4839.8 Ų39.826%0.25719%0.191SC..SBendtrans-94.6-31.9-171-60.9-59.2000113.3I185 N186 R372 L378I185-D244 HydrophobicContact CG2-CB 4.18Å; N186-D244 PolarHBondContact N-OD2 3.43Å; N186-D244 VanDerWaalsContact N-OD2 3.16Å; N186-D244 PolarHBondContact O-N 3.4Å; D244-R372 IonicContact OD1-NH2 3.89Å; D244-R372 PolarHBondContact OD1-NH2 3.38Å; D244-L378 HydrophobicContact CB-CD2 3.85Å
245A98.2Very high95.3Very high0 Ų044.9 Ų44.90%022%0.215CC..EExtended strand (participates in β ladder)trans-142.3162.9178.500000111N186 F187 G188 Y243 I369 A370 V371 L378 L382N186-A245 PolarHBondContact O-N 3.09Å; F187-A245 CarbonylContact C-O 3.59Å; F187-A245 VanDerWaalsContact CA-O 3.31Å; F187-A245 WeakPolarHBondContact CA-O 3.21Å; F187-A245 HydrophobicContact CD1-CB 3.7Å; F187-A245 HydrophobicContact CE1-CB 3.61Å; F187-A245 HydrophobicContact CG-CB 4.49Å; F187-A245 HydrophobicContact CZ-CB 4.31Å; G188-A245 PolarHBondContact N-O 3.35Å; Y243-A245 WeakPolarHBondContact CD2-O 3.34Å; A245-I369 HydrophobicContact CB-CG2 3.88Å; A245-A370 CarbonylContact C-O 3.46Å; A245-A370 WeakPolarHBondContact CA-O 3.36Å; A245-V371 HydrophobicContact CB-CG1 3.89Å; A245-L378 HydrophobicContact CB-CD2 4.38Å; A245-L382 HydrophobicContact CB-CD1 4.43Å
246V98.4Very high95.2Very high0 Ų045.1 Ų45.10%022%0.215CC..EExtended strand (participates in β ladder)trans-122126.3170.2173.70000108.2G188 L234 L238 Y243 M250 I369 A370G188-V246 WeakPolarHBondContact O-CA 3.35Å; L234-V246 HydrophobicContact CB-CG1 4.06Å; L234-V246 HydrophobicContact CB-CG2 4.24Å; L234-V246 HydrophobicContact CD1-CG1 3.84Å; L234-V246 HydrophobicContact CD2-CG1 4.4Å; L234-V246 HydrophobicContact CG-CG1 4.33Å; L238-V246 HydrophobicContact CB-CG2 4.18Å; L238-V246 HydrophobicContact CD2-CG2 4.02Å; L238-V246 HydrophobicContact CG-CG2 4.49Å; Y243-V246 HydrophobicContact CD2-CG2 3.95Å; Y243-V246 HydrophobicContact CE2-CG2 3.26Å; V246-M250 HydrophobicContact CG1-CE 3.71Å; V246-M250 HydrophobicContact CG1-SD 4.47Å; V246-I369 CarbonylContact O-C 2.91Å; V246-I369 VanDerWaalsContact O-CA 3.27Å; V246-I369 WeakPolarHBondContact O-CA 3.33Å; V246-I369 WeakPolarHBondContact O-CG2 3.27Å; V246-A370 HydrophobicContact CB-CB 4.22Å; V246-A370 PolarHBondContact N-O 2.9Å; V246-A370 PolarHBondContact O-N 3.28Å
247I98.1Very high95Very high0 Ų045.2 Ų45.20%022%0.217CC..  trans-128.6101.1170.9-171171.9000106.8F187 G188 V189 D209 L212 A213 Y266 I369F187-I247 HydrophobicContact CB-CG2 4.08Å; F187-I247 HydrophobicContact CD1-CB 3.99Å; F187-I247 HydrophobicContact CD1-CG2 3.45Å; F187-I247 VanDerWaalsContact CD1-CG2 3.45Å; F187-I247 HydrophobicContact CE1-CB 4.46Å; F187-I247 HydrophobicContact CE1-CG2 4.2Å; F187-I247 HydrophobicContact CG-CG2 4.03Å; G188-I247 PolarHBondContact O-N 3.08Å; V189-I247 HydrophobicContact CG1-CG2 4.09Å; V189-I247 WeakPolarHBondContact CG1-O 3.46Å; D209-I247 HydrophobicContact CB-CD1 4.1Å; D209-I247 HydrophobicContact CB-CG1 3.85Å; D209-I247 WeakPolarHBondContact O-CD1 3.31Å; L212-I247 HydrophobicContact CB-CD1 4.44Å; L212-I247 HydrophobicContact CD2-CD1 4.14Å; L212-I247 HydrophobicContact CG-CD1 4.34Å; A213-I247 HydrophobicContact CB-CD1 4.15Å; A213-I247 HydrophobicContact CB-CG2 4.15Å; I247-Y266 HydrophobicContact CG1-CE1 4.22Å; I247-I369 HydrophobicContact CB-CG1 4.17Å; I247-I369 HydrophobicContact CB-CG2 4.49Å; I247-I369 HydrophobicContact CD1-CD1 3.87Å; I247-I369 HydrophobicContact CD1-CG1 3.89Å; I247-I369 HydrophobicContact CG1-CD1 4.44Å; I247-I369 HydrophobicContact CG1-CG1 3.93Å
248S96.4Very high94.9Very high4 Ų452.9 Ų52.93%0.02825%0.248CC..SBendtrans-154.956.8-172.9-163.40000113.9S190 E197 D209 F231 M250S190-S248 WeakPolarHBondContact CB-OG 3.32Å; S190-S248 PolarHBondContact N-OG 3.31Å; E197-S248 WeakPolarHBondContact OE1-CA 3.34Å; E197-S248 WeakPolarHBondContact OE1-CB 3.44Å; E197-S248 PolarHBondContact OE1-OG 3Å; D209-S248 WeakPolarHBondContact OD2-CA 3.23Å; D209-S248 PolarHBondContact OD2-N 3.38Å; F231-S248 WeakPolarHBondContact CE2-O 3.42Å; S248-M250 PolarHBondContact O-N 3.11Å
249G93.6Very high94.9Very high5 Ų556.4 Ų56.45%0.05226%0.264CS..SBendtrans48.236.3-175.600000112.8D209 D251 Y266 L367D209-G249 PolarHBondContact OD2-N 3.49Å; G249-D251 PolarHBondContact O-N 3.23Å; G249-Y266 PolarHBondContact N-OH 3.34Å; G249-L367 VanDerWaalsContact O-CD2 3.3Å; G249-L367 WeakPolarHBondContact O-CD2 3.4Å
250M95Very high95Very high1 Ų151.2 Ų51.21%0.00524%0.242CC..  trans-89.1114.2-165-175.4174-69.700110.7F231 L234 I235 V246 S248 I252 F262 L367 G368 A370F231-M250 HydrophobicContact CE2-CB 4.47Å; F231-M250 HydrophobicContact CE2-CE 4.02Å; F231-M250 HydrophobicContact CZ-CE 4.06Å; F231-M250 HydrophobicContact CZ-CG 4.32Å; L234-M250 HydrophobicContact CB-CE 4.05Å; L234-M250 HydrophobicContact CD1-CE 4.01Å; I235-M250 HydrophobicContact CD1-CE 4.38Å; I235-M250 HydrophobicContact CD1-SD 3.93Å; I235-M250 HydrophobicContact CG1-CE 4.11Å; I235-M250 HydrophobicContact CG1-SD 4.04Å; V246-M250 HydrophobicContact CG1-CE 3.71Å; V246-M250 HydrophobicContact CG1-SD 4.47Å; S248-M250 PolarHBondContact O-N 3.11Å; M250-I252 PolarHBondContact O-N 3.48Å; M250-F262 HydrophobicContact CB-CE1 4.48Å; M250-F262 HydrophobicContact CG-CE1 3.96Å; M250-F262 HydrophobicContact CG-CZ 4.13Å; M250-F262 HydrophobicContact SD-CE1 3.85Å; M250-F262 HydrophobicContact SD-CZ 3.84Å; M250-L367 WeakPolarHBondContact O-CA 3.27Å; M250-G368 PolarHBondContact O-N 3.25Å; M250-A370 HydrophobicContact SD-CB 4.32Å
251D94.3Very high95.1Very high4 Ų445 Ų452%0.02122%0.219CC..BIsolated β-bridgetrans-59.2136173.8-54.5-73.9000112G249 T253 R256 N269 T298G249-D251 PolarHBondContact O-N 3.23Å; D251-T253 HydrophobicContact CB-CG2 4.12Å; D251-T253 PolarHBondContact O-N 3.26Å; D251-R256 PolarHBondContact O-NH1 3.18Å; D251-N269 PolarHBondContact OD1-ND2 2.98Å; D251-T298 HydrophobicContact CB-CG2 3.88Å; D251-T298 WeakPolarHBondContact OD2-CB 3.36Å; D251-T298 VanDerWaalsContact OD2-CG2 3.31Å; D251-T298 WeakPolarHBondContact OD2-CG2 3.4Å; D251-T298 PolarHBondContact OD2-OG1 3.3Å
252I93.8Very high95.3Very high25 Ų2538.8 Ų38.813%0.12820%0.196CC..  trans-77.5100.5172.1-56.1171.8000108.5M250 F262 P265 G364 G366M250-I252 PolarHBondContact O-N 3.48Å; I252-F262 HydrophobicContact CB-CG 4.4Å; I252-F262 HydrophobicContact CD1-CB 4.21Å; I252-F262 HydrophobicContact CG1-CB 3.99Å; I252-F262 HydrophobicContact CG1-CD1 3.9Å; I252-F262 HydrophobicContact CG1-CD2 4.49Å; I252-F262 HydrophobicContact CG1-CE1 4.48Å; I252-F262 HydrophobicContact CG1-CG 3.89Å; I252-F262 HydrophobicContact CG2-CB 4.13Å; I252-F262 HydrophobicContact CG2-CD2 3.99Å; I252-F262 HydrophobicContact CG2-CG 4.09Å; I252-P265 HydrophobicContact CD1-CB 4.06Å; I252-G364 VanDerWaalsContact O-CA 3.23Å; I252-G364 WeakPolarHBondContact O-CA 3.37Å; I252-G366 WeakPolarHBondContact CG1-O 3.36Å; I252-G366 PolarHBondContact N-O 3.07Å
253T92.1Very high95.4Very high12 Ų1232.4 Ų32.47%0.07417%0.169CC..  trans-110.2154.5177.675.10000112.2D251 E255 R256 S257 T298 Y362D251-T253 HydrophobicContact CB-CG2 4.12Å; D251-T253 PolarHBondContact O-N 3.26Å; T253-E255 PolarHBondContact O-N 3.06Å; T253-R256 PolarHBondContact O-N 3.19Å; T253-R256 WeakPolarHBondContact OG1-CB 3.49Å; T253-R256 WeakPolarHBondContact OG1-CG 3.31Å; T253-R256 PolarHBondContact OG1-N 2.79Å; T253-R256 VanDerWaalsContact OG1-N 3.13Å; T253-S257 VanDerWaalsContact O-CB 3.29Å; T253-S257 WeakPolarHBondContact O-CB 3.23Å; T253-S257 PolarHBondContact O-N 2.82Å; T253-S257 PolarHBondContact O-OG 3.26Å; T253-T298 HydrophobicContact CG2-CG2 3.73Å; T253-Y362 WeakPolarHBondContact CG2-O 3.42Å
254P91Very high95.4Very high69 Ų6935.7 Ų35.745%0.44819%0.19SC..THydrogen-bonded Turntrans-58-34174.2-26.135000113.1K258P254-K258 WeakPolarHBondContact O-CG 3.33Å; P254-K258 PolarHBondContact O-N 2.84Å
255E91.5Very high95.4Very high107 Ų10735.6 Ų35.650%0.519%0.192SC..THydrogen-bonded Turntrans-69.6-48.2178.8-176.4176.7179.600112T253 S257 K258 K301T253-E255 PolarHBondContact O-N 3.06Å; E255-S257 VanDerWaalsContact C-N 3.3Å; E255-S257 PolarHBondContact O-N 2.9Å; E255-K258 WeakPolarHBondContact O-CB 3.24Å; E255-K258 PolarHBondContact O-N 3.25Å; E255-K301 WeakPolarHBondContact OE2-CE 3.39Å
256R93.8Very high95.2Very high21 Ų2135.7 Ų35.78%0.07919%0.192CC..G310 helixtrans-64.8-38176.8-67.7175.9176.8159.1-0.7110.9F231 I235 D251 T253 K258 Q259 V260 F262 G296F231-R256 VanDerWaalsContact CE1-NH2 3.3Å; I235-R256 HydrophobicContact CD1-CB 3.95Å; I235-R256 HydrophobicContact CD1-CG 3.58Å; D251-R256 PolarHBondContact O-NH1 3.18Å; T253-R256 PolarHBondContact O-N 3.19Å; T253-R256 WeakPolarHBondContact OG1-CB 3.49Å; T253-R256 WeakPolarHBondContact OG1-CG 3.31Å; T253-R256 PolarHBondContact OG1-N 2.79Å; T253-R256 VanDerWaalsContact OG1-N 3.13Å; R256-K258 PolarHBondContact O-N 2.92Å; R256-K258 VanDerWaalsContact O-N 3.14Å; R256-Q259 WeakPolarHBondContact O-CA 3.28Å; R256-Q259 WeakPolarHBondContact O-CB 3.14Å; R256-Q259 PolarHBondContact O-N 3.2Å; R256-V260 VanDerWaalsContact O-CG2 3.3Å; R256-V260 WeakPolarHBondContact O-CG2 3.23Å; R256-V260 PolarHBondContact O-N 2.82Å; R256-F262 HydrophobicContact CB-CE2 3.6Å; R256-F262 HydrophobicContact CB-CZ 3.81Å; R256-G296 PolarHBondContact NH2-O 2.91Å; R256-G296 VanDerWaalsContact NH2-O 3.17Å
257S94.2Very high95Very high58 Ų5837.9 Ų37.941%0.40620%0.201SC..G310 helixtrans-65-15.6178.9-58.60000114.3T253 E255 Q259 V260T253-S257 VanDerWaalsContact O-CB 3.29Å; T253-S257 WeakPolarHBondContact O-CB 3.23Å; T253-S257 PolarHBondContact O-N 2.82Å; T253-S257 PolarHBondContact O-OG 3.26Å; E255-S257 VanDerWaalsContact C-N 3.3Å; E255-S257 PolarHBondContact O-N 2.9Å; S257-Q259 VanDerWaalsContact C-N 3.32Å; S257-V260 CarbonylContact C-O 3.59Å; S257-V260 WeakPolarHBondContact CA-O 3.25Å; S257-V260 VanDerWaalsContact O-O 3.13Å
258K94.9Very high94.6Very high181 Ų18146.1 Ų46.179%0.78724%0.239SC*.G310 helixtrans-75.7-21.9168.8-69.6173.2-175.7178.70112.7P254 E255 R256P254-K258 WeakPolarHBondContact O-CG 3.33Å; P254-K258 PolarHBondContact O-N 2.84Å; E255-K258 WeakPolarHBondContact O-CB 3.24Å; E255-K258 PolarHBondContact O-N 3.25Å; R256-K258 PolarHBondContact O-N 2.92Å; R256-K258 VanDerWaalsContact O-N 3.14Å
259Q95.6Very high94.3Very high75 Ų7546.8 Ų46.835%0.3524%0.242SC..THydrogen-bonded Turntrans-103.9-32.4-174.9-57.1-167.855.100113I235 R256 S257 P373I235-Q259 HydrophobicContact CG2-CB 4.11Å; R256-Q259 WeakPolarHBondContact O-CA 3.28Å; R256-Q259 WeakPolarHBondContact O-CB 3.14Å; R256-Q259 PolarHBondContact O-N 3.2Å; S257-Q259 VanDerWaalsContact C-N 3.32Å; Q259-P373 WeakPolarHBondContact O-CG 3.41Å
260V97.3Very high94.2Very high1 Ų147.1 Ų47.11%0.00624%0.244CC..SBendtrans-137.9161.7-175.4-64.80000110I235 L238 R256 S257 F262 A370 V371I235-V260 HydrophobicContact CD1-CG2 4.43Å; I235-V260 HydrophobicContact CG1-CG1 4.46Å; I235-V260 HydrophobicContact CG2-CG1 3.87Å; L238-V260 HydrophobicContact CD2-CB 4.39Å; L238-V260 HydrophobicContact CD2-CG1 3.71Å; R256-V260 VanDerWaalsContact O-CG2 3.3Å; R256-V260 WeakPolarHBondContact O-CG2 3.23Å; R256-V260 PolarHBondContact O-N 2.82Å; S257-V260 CarbonylContact C-O 3.59Å; S257-V260 WeakPolarHBondContact CA-O 3.25Å; S257-V260 VanDerWaalsContact O-O 3.13Å; V260-F262 HydrophobicContact CG2-CD2 4.19Å; V260-F262 HydrophobicContact CG2-CE2 3.59Å; V260-F262 HydrophobicContact CG2-CZ 3.86Å; V260-A370 HydrophobicContact CB-CB 4.14Å; V260-A370 HydrophobicContact CG2-CB 3.81Å; V260-V371 WeakPolarHBondContact CB-O 2.86Å
261S97.9Very high94.1Very high37 Ų3747 Ų4726%0.25924%0.243SC..EExtended strand (participates in β ladder)trans-101.5134.4170.2-61.20000109.6A370 V371S261-A370 CarbonylContact O-C 3.56Å; S261-A370 WeakPolarHBondContact O-CA 3.23Å; S261-V371 PolarHBondContact N-O 2.81Å; S261-V371 PolarHBondContact O-N 2.8Å
262F97.4Very high94.2Very high24 Ų2447.2 Ų47.211%0.10524%0.244CC..EExtended strand (participates in β ladder)trans-101.4148.3177.9-74.7-83.7000111.6M250 I252 R256 V260 I369 A370 L379M250-F262 HydrophobicContact CB-CE1 4.48Å; M250-F262 HydrophobicContact CG-CE1 3.96Å; M250-F262 HydrophobicContact CG-CZ 4.13Å; M250-F262 HydrophobicContact SD-CE1 3.85Å; M250-F262 HydrophobicContact SD-CZ 3.84Å; I252-F262 HydrophobicContact CB-CG 4.4Å; I252-F262 HydrophobicContact CD1-CB 4.21Å; I252-F262 HydrophobicContact CG1-CB 3.99Å; I252-F262 HydrophobicContact CG1-CD1 3.9Å; I252-F262 HydrophobicContact CG1-CD2 4.49Å; I252-F262 HydrophobicContact CG1-CE1 4.48Å; I252-F262 HydrophobicContact CG1-CG 3.89Å; I252-F262 HydrophobicContact CG2-CB 4.13Å; I252-F262 HydrophobicContact CG2-CD2 3.99Å; I252-F262 HydrophobicContact CG2-CG 4.09Å; R256-F262 HydrophobicContact CB-CE2 3.6Å; R256-F262 HydrophobicContact CB-CZ 3.81Å; V260-F262 HydrophobicContact CG2-CD2 4.19Å; V260-F262 HydrophobicContact CG2-CE2 3.59Å; V260-F262 HydrophobicContact CG2-CZ 3.86Å; F262-I369 CarbonylContact C-O 3.58Å; F262-I369 WeakPolarHBondContact CA-O 3.5Å; F262-A370 HydrophobicContact CD1-CB 3.96Å; F262-A370 HydrophobicContact CE1-CB 3.64Å; F262-A370 HydrophobicContact CZ-CB 4.09Å; F262-L379 WeakPolarHBondContact O-CD1 3.41Å
263T97.8Very high94.3Very high6 Ų646 Ų464%0.03724%0.238CC..PPolyproline II helixtrans-62.6171.2162.360.60000111.2I369 L379 L382 N383T263-I369 HydrophobicContact CG2-CB 3.76Å; T263-I369 HydrophobicContact CG2-CD1 4.49Å; T263-I369 HydrophobicContact CG2-CG1 4.46Å; T263-I369 PolarHBondContact N-O 3.31Å; T263-I369 PolarHBondContact OG1-N 2.92Å; T263-L379 HydrophobicContact CG2-CD1 4.01Å; T263-L382 HydrophobicContact CG2-CB 3.69Å; T263-L382 HydrophobicContact CG2-CD1 4.2Å; T263-N383 VanDerWaalsContact CA-OD1 3.25Å; T263-N383 WeakPolarHBondContact CA-OD1 3.34Å; T263-N383 VanDerWaalsContact CB-OD1 3.31Å; T263-N383 WeakPolarHBondContact CB-OD1 3.27Å
264T95.7Very high94.5Very high72 Ų7245.4 Ų45.444%0.44224%0.235SC..SBendtrans-55.4149.7160.257.20000110.1Y266 N383 L386T264-Y266 PolarHBondContact O-N 3.02Å; T264-N383 PolarHBondContact N-OD1 2.99Å; T264-L386 WeakPolarHBondContact O-CD2 2.99Å
265P95.4Very high94.8Very high46 Ų4642.1 Ų42.130%0.29921%0.214SC..PPolyproline II helixtrans-61.9133.7-178.423.8-33.2000110.9I252 T365 L367 K390I252-P265 HydrophobicContact CD1-CB 4.06Å; P265-T365 VanDerWaalsContact CB-O 3.23Å; P265-T365 WeakPolarHBondContact CB-O 3.44Å; P265-T365 WeakPolarHBondContact CG-O 3.43Å; P265-L367 CarbonylContact C-O 3.59Å; P265-L367 VanDerWaalsContact CA-O 3.23Å; P265-L367 WeakPolarHBondContact CA-O 3.46Å; P265-K390 PolarHBondContact O-NZ 2.87Å
266Y95.5Very high94.9Very high2 Ų244.1 Ų44.11%0.00822%0.221CC..SBendtrans-98.1-18.5176.365.5-103.1000112.6F208 D209 L212 I247 G249 T264 L367 I369 Y395F208-Y266 HydrophobicContact CD1-CE2 4.44Å; F208-Y266 AromaticContact CE1-CD2 3.81Å; F208-Y266 HydrophobicContact CE1-CD2 3.81Å; F208-Y266 AromaticContact CE1-CE2 3.88Å; F208-Y266 HydrophobicContact CE1-CE2 3.88Å; D209-Y266 VanDerWaalsContact CG-OH 3.28Å; D209-Y266 VanDerWaalsContact OD1-CE2 3.25Å; D209-Y266 WeakPolarHBondContact OD1-CE2 3.46Å; D209-Y266 PolarHBondContact OD1-OH 2.84Å; D209-Y266 PolarHBondContact OD2-OH 2.85Å; L212-Y266 HydrophobicContact CD2-CD1 4.23Å; L212-Y266 HydrophobicContact CD2-CD2 3.44Å; L212-Y266 VanDerWaalsContact CD2-CD2 3.44Å; L212-Y266 HydrophobicContact CD2-CE2 4Å; L212-Y266 HydrophobicContact CD2-CG 3.56Å; I247-Y266 HydrophobicContact CG1-CE1 4.22Å; G249-Y266 PolarHBondContact N-OH 3.34Å; T264-Y266 PolarHBondContact O-N 3.02Å; Y266-L367 VanDerWaalsContact CD1-O 3.24Å; Y266-L367 WeakPolarHBondContact CD1-O 3.46Å; Y266-L367 HydrophobicContact CD2-CB 4.37Å; Y266-L367 HydrophobicContact CE1-CB 3.96Å; Y266-L367 HydrophobicContact CE2-CB 3.8Å; Y266-L367 HydrophobicContact CE2-CD1 4.31Å; Y266-L367 PolarHBondContact N-O 3.28Å; Y266-I369 HydrophobicContact CD1-CG1 4.04Å; Y266-I369 HydrophobicContact CE1-CG1 4Å; Y266-Y395 WeakPolarHBondContact O-CE2 3.4Å; Y266-Y395 VanDerWaalsContact O-CZ 3.27Å; Y266-Y395 PolarHBondContact O-OH 2.87Å
267Y93.7Very high94.9Very high46 Ų4648.7 Ų48.718%0.1824%0.241CC..BIsolated β-bridgetrans-147.7133.3179.4-174.4-89.8000110.5F196 F208 A338 G366 L367 F403F196-Y267 HydrophobicContact CE1-CD1 4.13Å; F196-Y267 HydrophobicContact CE1-CD2 4.38Å; F196-Y267 HydrophobicContact CE1-CE1 4.34Å; F196-Y267 HydrophobicContact CE1-CG 4.16Å; F196-Y267 AromaticContact CZ-CD1 3.95Å; F196-Y267 HydrophobicContact CZ-CD1 3.95Å; F196-Y267 AromaticContact CZ-CE1 3.81Å; F196-Y267 HydrophobicContact CZ-CE1 3.81Å; F196-Y267 HydrophobicContact CZ-CG 4.42Å; F208-Y267 HydrophobicContact CE1-CD2 4.4Å; F208-Y267 HydrophobicContact CZ-CD2 4.46Å; Y267-A338 WeakPolarHBondContact OH-CB 3.14Å; Y267-G366 CarbonylContact O-C 3.57Å; Y267-G366 WeakPolarHBondContact O-CA 3.47Å; Y267-L367 HydrophobicContact CD1-CD1 3.66Å; Y267-L367 HydrophobicContact CD1-CG 4.11Å; Y267-L367 HydrophobicContact CG-CD1 4.1Å; Y267-L367 PolarHBondContact O-N 3.11Å; Y267-F403 HydrophobicContact CD2-CE2 4.02Å; Y267-F403 HydrophobicContact CD2-CZ 4.33Å; Y267-F403 AromaticContact CE2-CD2 3.95Å; Y267-F403 HydrophobicContact CE2-CD2 3.95Å; Y267-F403 HydrophobicContact CE2-CE1 4.24Å; Y267-F403 AromaticContact CE2-CE2 3.56Å; Y267-F403 HydrophobicContact CE2-CE2 3.56Å; Y267-F403 HydrophobicContact CE2-CG 4.44Å; Y267-F403 AromaticContact CE2-CZ 3.74Å; Y267-F403 HydrophobicContact CE2-CZ 3.74Å
268E90.1Very high94.8Very high172 Ų17252.2 Ų52.280%0.80426%0.255SS*.  trans-81.5120.1175.6-70.6-176.8-17500110.2
269N88.9Confident94.7Very high18 Ų1846.7 Ų46.710%0.09624%0.237CC..  trans-105.6158.2-168.6-164.127.2000113.6D251 D336 L367D251-N269 PolarHBondContact OD1-ND2 2.98Å; N269-D336 PolarHBondContact ND2-OD1 3.15Å; N269-D336 WeakPolarHBondContact OD1-CB 3.46Å; N269-D336 VanDerWaalsContact OD1-CG 3.27Å; N269-D336 PolarHBondContact OD1-OD1 2.94Å; N269-L367 HydrophobicContact CB-CD2 3.67Å; N269-L367 HydrophobicContact CB-CG 4Å; N269-L367 WeakPolarHBondContact ND2-CD2 3.28Å
270S92Very high94.7Very high12 Ų1244.6 Ų44.68%0.08423%0.226CC..  trans-164.8148.8177.255.80000109.9D336 T337 K356 V357S270-D336 CarbonylContact O-C 3.56Å; S270-D336 WeakPolarHBondContact O-CA 3.48Å; S270-T337 WeakPolarHBondContact O-CB 3.5Å; S270-T337 PolarHBondContact O-N 3.37Å; S270-T337 PolarHBondContact O-OG1 3.15Å; S270-T337 PolarHBondContact OG-OG1 3.16Å; S270-T337 VanDerWaalsContact OG-OG1 3.11Å; S270-K356 WeakPolarHBondContact OG-CE 3.48Å; S270-K356 PolarHBondContact OG-NZ 2.81Å; S270-V357 CarbonylContact C-O 3.46Å; S270-V357 WeakPolarHBondContact CA-O 3.47Å
271A93.9Very high94.5Very high0 Ų052 Ų520%026%0.258CS..EExtended strand (participates in β ladder)trans-124.2154.8-173.600000113.7H299 F334 G335 V357 F363A271-H299 WeakPolarHBondContact CB-NE2 3.3Å; A271-F334 HydrophobicContact CB-CD2 4.29Å; A271-F334 HydrophobicContact CB-CE2 3.47Å; A271-F334 VanDerWaalsContact CB-CE2 3.47Å; A271-F334 HydrophobicContact CB-CZ 3.79Å; A271-G335 VanDerWaalsContact CA-O 3.32Å; A271-G335 WeakPolarHBondContact CA-O 3.3Å; A271-G335 WeakPolarHBondContact CB-O 3.42Å; A271-V357 PolarHBondContact N-O 2.85Å; A271-V357 PolarHBondContact O-N 3.36Å; A271-F363 HydrophobicContact CB-CD1 4.08Å; A271-F363 HydrophobicContact CB-CE1 3.34Å; A271-F363 HydrophobicContact CB-CE2 4.49Å; A271-F363 HydrophobicContact CB-CZ 3.59Å
272V95.5Very high94.3Very high7 Ų752.7 Ų52.74%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-144.5148.2174.3-72.80000110.3F334 G335 V340 V352 K356V272-F334 VanDerWaalsContact C-CD2 3.46Å; V272-F334 WeakPolarHBondContact O-CD2 3.37Å; V272-G335 PolarHBondContact N-O 3.02Å; V272-G335 PolarHBondContact O-N 2.87Å; V272-G335 VanDerWaalsContact O-O 3.1Å; V272-V340 HydrophobicContact CG2-CB 3.95Å; V272-V340 HydrophobicContact CG2-CG1 3.68Å; V272-V340 HydrophobicContact CG2-CG2 3.94Å; V272-V352 HydrophobicContact CB-CG1 4.1Å; V272-V352 HydrophobicContact CG1-CG1 4.15Å; V272-V352 HydrophobicContact CG2-CG2 4.38Å; V272-K356 HydrophobicContact CG1-CB 4.12Å; V272-K356 HydrophobicContact CG1-CG 4.36Å
273V97.1Very high94Very high0 Ų051.6 Ų51.60%026%0.256CS..EExtended strand (participates in β ladder)trans-82138.3168.6-177.10000108.6F283 L286 I291 V333 F334 A353 T354V273-F283 HydrophobicContact CG2-CE1 3.83Å; V273-F283 HydrophobicContact CG2-CZ 4.07Å; V273-L286 HydrophobicContact CB-CD1 4.21Å; V273-L286 HydrophobicContact CG1-CD1 3.95Å; V273-L286 HydrophobicContact CG2-CD1 4.06Å; V273-I291 HydrophobicContact CG1-CD1 4.14Å; V273-I291 HydrophobicContact CG1-CG2 4.15Å; V273-V333 CarbonylContact C-O 3.48Å; V273-V333 WeakPolarHBondContact CA-O 3.46Å; V273-F334 HydrophobicContact CB-CD2 4.41Å; V273-F334 HydrophobicContact CG2-CB 4.02Å; V273-F334 HydrophobicContact CG2-CD2 3.54Å; V273-F334 HydrophobicContact CG2-CE2 4.14Å; V273-F334 HydrophobicContact CG2-CG 3.86Å; V273-A353 HydrophobicContact CB-CB 4.32Å; V273-A353 HydrophobicContact CG1-CB 4.19Å; V273-A353 WeakPolarHBondContact O-CB 3.46Å; V273-A353 PolarHBondContact O-N 2.75Å; V273-T354 HydrophobicContact CB-CG2 3.73Å; V273-T354 HydrophobicContact CG2-CG2 3.75Å; V273-T354 PolarHBondContact N-OG1 3.08Å; V273-T354 VanDerWaalsContact N-OG1 3.08Å
274I96Very high93.8Very high0 Ų054.9 Ų54.90%028%0.283CS..EExtended strand (participates in β ladder)trans-106.9147.7163.560.1169.6000111F322 G332 V333 V340 W343 L344 L350 G351I274-F322 HydrophobicContact CD1-CE1 3.72Å; I274-F322 HydrophobicContact CD1-CE2 4.5Å; I274-F322 HydrophobicContact CD1-CZ 3.42Å; I274-F322 VanDerWaalsContact CD1-CZ 3.42Å; I274-G332 CarbonylContact O-C 3.46Å; I274-G332 WeakPolarHBondContact O-CA 3.4Å; I274-V333 HydrophobicContact CG1-CB 4.11Å; I274-V333 PolarHBondContact N-O 2.8Å; I274-V333 PolarHBondContact O-N 2.82Å; I274-V340 HydrophobicContact CG2-CB 4.23Å; I274-V340 HydrophobicContact CG2-CG1 3.26Å; I274-V340 HydrophobicContact CG2-CG2 4.03Å; I274-W343 HydrophobicContact CD1-CE3 4.08Å; I274-L344 HydrophobicContact CG2-CD2 4.33Å; I274-L350 HydrophobicContact CD1-CD1 3.96Å; I274-G351 VanDerWaalsContact CA-O 3.29Å; I274-G351 WeakPolarHBondContact CA-O 3.35Å
275A96.6Very high93.8Very high0 Ų054.9 Ų54.90%028%0.281CS..EExtended strand (participates in β ladder)trans-144.1-173173.100000109.3K277 Y280 D331 L350 G351 A353A275-K277 PolarHBondContact O-N 3.34Å; A275-Y280 HydrophobicContact CB-CD2 3.64Å; A275-Y280 HydrophobicContact CB-CE2 4.09Å; A275-D331 VanDerWaalsContact CB-O 3.29Å; A275-D331 WeakPolarHBondContact CB-O 3.38Å; A275-L350 CarbonylContact O-C 3.55Å; A275-L350 WeakPolarHBondContact O-CA 3.46Å; A275-L350 WeakPolarHBondContact O-CD2 3.29Å; A275-G351 PolarHBondContact N-O 3.3Å; A275-G351 PolarHBondContact O-N 3.3Å; A275-A353 HydrophobicContact CB-CB 3.73Å
276K94.3Very high93.9Very high149 Ų14952.7 Ų52.765%0.64827%0.267SS*.EExtended strand (participates in β ladder)trans-53.2133.6165.2-175.5176.8180-179.20109.2T279K276-T279 VanDerWaalsContact O-CB 3.27Å; K276-T279 WeakPolarHBondContact O-CB 3.05Å; K276-T279 PolarHBondContact O-N 2.79Å; K276-T279 PolarHBondContact O-OG1 3.25Å
277K93.3Very high93.9Very high116 Ų11659.9 Ų59.950%0.50430%0.298SS..THydrogen-bonded Turntrans-51.7141.4-174.8-162.1178.9176.7170.70111.5A275 T279 Q349A275-K277 PolarHBondContact O-N 3.34Å; K277-T279 PolarHBondContact O-N 3.27Å; K277-T279 PolarHBondContact O-OG1 3.41Å; K277-Q349 WeakPolarHBondContact CB-O 3.49Å; K277-Q349 PolarHBondContact N-O 3.2Å
278D91.3Very high94Very high132 Ų13259.5 Ų59.571%0.70631%0.308SS*.THydrogen-bonded Turntrans57.318175.5-52.8-46.7000115.6
279T93.6Very high94.4Very high66 Ų6654.4 Ų54.441%0.40528%0.283SS..SBendtrans-91.7-36.2-176.8-54.40000113.1K276 K277K276-T279 VanDerWaalsContact O-CB 3.27Å; K276-T279 WeakPolarHBondContact O-CB 3.05Å; K276-T279 PolarHBondContact O-N 2.79Å; K276-T279 PolarHBondContact O-OG1 3.25Å; K277-T279 PolarHBondContact O-N 3.27Å; K277-T279 PolarHBondContact O-OG1 3.41Å
280Y94.8Very high94.8Very high30 Ų3058.4 Ų58.412%0.11830%0.297CS..  trans-138.1154.6-178.6-50.3-62.8000109.1A275 D285 L286 K289 D331 A353A275-Y280 HydrophobicContact CB-CD2 3.64Å; A275-Y280 HydrophobicContact CB-CE2 4.09Å; Y280-D285 HydrophobicContact CD1-CB 3.92Å; Y280-D285 HydrophobicContact CG-CB 4.37Å; Y280-L286 HydrophobicContact CD1-CD2 4.16Å; Y280-L286 HydrophobicContact CD2-CD2 3.53Å; Y280-L286 HydrophobicContact CE2-CD2 4.13Å; Y280-L286 HydrophobicContact CG-CD2 3.55Å; Y280-K289 HydrophobicContact CE1-CD 4.47Å; Y280-K289 HydrophobicContact CE1-CG 4.45Å; Y280-K289 WeakPolarHBondContact OH-CD 3.39Å; Y280-K289 WeakPolarHBondContact OH-CE 3.33Å; Y280-K289 PolarHBondContact OH-NZ 3.13Å; Y280-K289 VanDerWaalsContact OH-NZ 3.07Å; Y280-D331 HydrophobicContact CE2-CB 4.42Å; Y280-A353 CarbonylContact C-O 3.53Å; Y280-A353 WeakPolarHBondContact O-CA 3.16Å
281K92.6Very high95.1Very high156 Ų15657.9 Ų57.968%0.67829%0.293SS*.  trans-132.2-22.6-178.8-64-175.3-180-178.60114.1D285 A353 T354K281-D285 PolarHBondContact N-OD2 2.77Å; K281-A353 CarbonylContact C-O 3.54Å; K281-A353 VanDerWaalsContact CA-O 3.27Å; K281-A353 WeakPolarHBondContact CA-O 3.37Å; K281-A353 PolarHBondContact N-O 3.32Å; K281-T354 WeakPolarHBondContact O-CA 3.31Å
282T94.4Very high95.3Very high52 Ų5257.9 Ų57.932%0.31929%0.293SS..SBendtrans-136.6161.8-176.564.90000110.8A284 D285 A353T282-A284 PolarHBondContact O-N 3.29Å; T282-D285 PolarHBondContact N-OD2 3.14Å; T282-D285 WeakPolarHBondContact O-CB 3.33Å; T282-D285 PolarHBondContact O-N 2.85Å; T282-D285 VanDerWaalsContact O-N 3.08Å; T282-D285 PolarHBondContact OG1-OD2 3.46Å; T282-D285 VanDerWaalsContact OG1-OD2 3.07Å; T282-A353 PolarHBondContact N-O 3.27Å
283F92.4Very high95.3Very high2 Ų257.5 Ų57.51%0.00929%0.291CS..G310 helixtrans-59.3-29.8173.6-80.5-81.8000113V273 D285 L286 Y302 H307 F334 T354 V357V273-F283 HydrophobicContact CG2-CE1 3.83Å; V273-F283 HydrophobicContact CG2-CZ 4.07Å; F283-D285 PolarHBondContact O-N 3.42Å; F283-L286 HydrophobicContact CD1-CD1 4.3Å; F283-L286 WeakPolarHBondContact O-CB 3.28Å; F283-L286 PolarHBondContact O-N 2.97Å; F283-Y302 HydrophobicContact CE1-CE1 4.08Å; F283-Y302 HydrophobicContact CE2-CE1 4.21Å; F283-Y302 HydrophobicContact CZ-CD1 4.49Å; F283-Y302 AromaticContact CZ-CE1 3.76Å; F283-Y302 HydrophobicContact CZ-CE1 3.76Å; F283-H307 WeakPolarHBondContact CB-CE1 3.1Å; F283-H307 AromaticContact CD1-CD2 3.52Å; F283-H307 AromaticContact CD1-CG 3.85Å; F283-H307 AromaticContact CD1-NE2 3.74Å; F283-H307 AromaticContact CD2-NE2 3.71Å; F283-H307 AromaticContact CE1-CD2 3.97Å; F283-H307 AromaticContact CG-CD2 3.73Å; F283-H307 AromaticContact CG-CE1 3.65Å; F283-H307 AromaticContact CG-NE2 3.41Å; F283-H307 WeakPolarHBondContact CG-NE2 3.31Å; F283-F334 HydrophobicContact CZ-CE2 4.37Å; F283-F334 HydrophobicContact CZ-CZ 4.25Å; F283-T354 HydrophobicContact CD1-CG2 3.96Å; F283-T354 HydrophobicContact CD2-CG2 3.82Å; F283-T354 HydrophobicContact CE1-CG2 3.99Å; F283-T354 HydrophobicContact CE2-CG2 3.84Å; F283-T354 HydrophobicContact CG-CG2 3.88Å; F283-T354 HydrophobicContact CZ-CG2 3.92Å; F283-V357 HydrophobicContact CE2-CG2 3.51Å; F283-V357 HydrophobicContact CZ-CG2 3.67Å
284A93.2Very high95.1Very high74 Ų7457.8 Ų57.861%0.61229%0.292SS*.G310 helixtrans-61.5-33.1176.200000112.7T282 L286 K287T282-A284 PolarHBondContact O-N 3.29Å; A284-L286 PolarHBondContact O-N 3.49Å; A284-K287 WeakPolarHBondContact O-CB 3.17Å; A284-K287 PolarHBondContact O-N 3.36Å
285D95.5Very high95Very high73 Ų7359.6 Ų59.639%0.3930%0.302SS..G310 helixtrans-69.4-19.7177.1-56.9-40.7000112.4Y280 K281 T282 F283 K287Y280-D285 HydrophobicContact CD1-CB 3.92Å; Y280-D285 HydrophobicContact CG-CB 4.37Å; K281-D285 PolarHBondContact N-OD2 2.77Å; T282-D285 PolarHBondContact N-OD2 3.14Å; T282-D285 WeakPolarHBondContact O-CB 3.33Å; T282-D285 PolarHBondContact O-N 2.85Å; T282-D285 VanDerWaalsContact O-N 3.08Å; T282-D285 PolarHBondContact OG1-OD2 3.46Å; T282-D285 VanDerWaalsContact OG1-OD2 3.07Å; F283-D285 PolarHBondContact O-N 3.42Å; D285-K287 VanDerWaalsContact C-N 3.31Å
286L96.2Very high94.7Very high0 Ų061.6 Ų61.60%032%0.323CS..G310 helixtrans-87.64.1-178.7-54.9-177000113.2V273 Y280 F283 A284 G288 K289 I291 V310 T354V273-L286 HydrophobicContact CB-CD1 4.21Å; V273-L286 HydrophobicContact CG1-CD1 3.95Å; V273-L286 HydrophobicContact CG2-CD1 4.06Å; Y280-L286 HydrophobicContact CD1-CD2 4.16Å; Y280-L286 HydrophobicContact CD2-CD2 3.53Å; Y280-L286 HydrophobicContact CE2-CD2 4.13Å; Y280-L286 HydrophobicContact CG-CD2 3.55Å; F283-L286 HydrophobicContact CD1-CD1 4.3Å; F283-L286 WeakPolarHBondContact O-CB 3.28Å; F283-L286 PolarHBondContact O-N 2.97Å; A284-L286 PolarHBondContact O-N 3.49Å; L286-G288 PolarHBondContact O-N 3.27Å; L286-K289 HydrophobicContact CB-CB 4.44Å; L286-K289 WeakPolarHBondContact O-CB 3.23Å; L286-K289 WeakPolarHBondContact O-CG 3.13Å; L286-K289 PolarHBondContact O-N 2.92Å; L286-I291 HydrophobicContact CD1-CD1 4.05Å; L286-I291 HydrophobicContact CD1-CG1 4.3Å; L286-I291 HydrophobicContact CD2-CD1 4.2Å; L286-V310 HydrophobicContact CB-CG1 4.38Å; L286-V310 HydrophobicContact CB-CG2 3.88Å; L286-T354 HydrophobicContact CD1-CG2 3.61Å; L286-T354 HydrophobicContact CG-CG2 4.48Å
287K96.6Very high94.7Very high152 Ų15255 Ų5566%0.66130%0.295SS*.THydrogen-bonded Turntrans-54.3123.4177.8-178.9166.9-173.6177.10111.8A284 D285 K289 E309A284-K287 WeakPolarHBondContact O-CB 3.17Å; A284-K287 PolarHBondContact O-N 3.36Å; D285-K287 VanDerWaalsContact C-N 3.31Å; K287-K289 PolarHBondContact O-N 3.34Å; K287-E309 HydrophobicContact CB-CG 4.17Å; K287-E309 HydrophobicContact CD-CB 4.45Å; K287-E309 HydrophobicContact CD-CG 4.47Å; K287-E309 HydrophobicContact CG-CB 4.05Å; K287-E309 HydrophobicContact CG-CG 4.07Å
288G96.3Very high94.7Very high38 Ų3849.9 Ų49.939%0.39227%0.273SS..THydrogen-bonded Turntrans73.6-2.4-178.500000115.1L286 E309L286-G288 PolarHBondContact O-N 3.27Å; G288-E309 PolarHBondContact N-O 3.07Å
289K97.9Very high94.9Very high66 Ų6643.8 Ų43.829%0.28724%0.241SC..  trans-78.5154.3177.3-56.2-58.8-1781630111Y280 L286 K287 I291 K311 D331Y280-K289 HydrophobicContact CE1-CD 4.47Å; Y280-K289 HydrophobicContact CE1-CG 4.45Å; Y280-K289 WeakPolarHBondContact OH-CD 3.39Å; Y280-K289 WeakPolarHBondContact OH-CE 3.33Å; Y280-K289 PolarHBondContact OH-NZ 3.13Å; Y280-K289 VanDerWaalsContact OH-NZ 3.07Å; L286-K289 HydrophobicContact CB-CB 4.44Å; L286-K289 WeakPolarHBondContact O-CB 3.23Å; L286-K289 WeakPolarHBondContact O-CG 3.13Å; L286-K289 PolarHBondContact O-N 2.92Å; K287-K289 PolarHBondContact O-N 3.34Å; K289-I291 HydrophobicContact CB-CD1 4.5Å; K289-K311 WeakPolarHBondContact O-CA 3.2Å; K289-K311 WeakPolarHBondContact O-CB 3.47Å; K289-K311 PolarHBondContact O-N 3.11Å; K289-D331 HydrophobicContact CB-CB 3.82Å; K289-D331 HydrophobicContact CD-CB 4.3Å; K289-D331 HydrophobicContact CG-CB 4.41Å
290R98.1Very high95Very high102 Ų10242.1 Ų42.139%0.38523%0.228SC..EExtended strand (participates in β ladder)trans-95.2112179.6-67.6171.2-63.9172.98.2109.2K311 V313 G328 R329 I330 D331 G332R290-K311 CarbonylContact C-O 3.06Å; R290-K311 VanDerWaalsContact CA-O 3.29Å; R290-K311 WeakPolarHBondContact CA-O 3.38Å; R290-K311 HydrophobicContact CG-CB 4.28Å; R290-K311 HydrophobicContact CG-CD 4.42Å; R290-V313 HydrophobicContact CB-CG2 3.77Å; R290-V313 HydrophobicContact CG-CG2 4.18Å; R290-G328 PolarHBondContact NH2-O 3.22Å; R290-R329 PolarHBondContact NE-O 3.31Å; R290-R329 PolarHBondContact NH1-O 3.26Å; R290-R329 PolarHBondContact NH2-O 2.82Å; R290-R329 VanDerWaalsContact NH2-O 3.12Å; R290-I330 HydrophobicContact CB-CB 4.25Å; R290-I330 HydrophobicContact CB-CG2 4.14Å; R290-I330 WeakPolarHBondContact O-CB 3.16Å; R290-D331 PolarHBondContact N-OD2 2.75Å; R290-D331 IonicContact NE-OD2 3.72Å; R290-D331 PolarHBondContact O-N 2.92Å; R290-G332 PolarHBondContact O-N 2.81Å
291I98.2Very high95Very high0 Ų044.4 Ų44.40%024%0.239CC..EExtended strand (participates in β ladder)trans-108.3127.9179-54.9-57.2000108.5V273 L286 K289 M293 I303 V310 K311 T312 V313 G332 F334V273-I291 HydrophobicContact CG1-CD1 4.14Å; V273-I291 HydrophobicContact CG1-CG2 4.15Å; L286-I291 HydrophobicContact CD1-CD1 4.05Å; L286-I291 HydrophobicContact CD1-CG1 4.3Å; L286-I291 HydrophobicContact CD2-CD1 4.2Å; K289-I291 HydrophobicContact CB-CD1 4.5Å; I291-M293 VanDerWaalsContact C-CE 3.42Å; I291-M293 HydrophobicContact CB-CE 4.1Å; I291-M293 HydrophobicContact CG2-CE 3.9Å; I291-M293 WeakPolarHBondContact O-CE 3.35Å; I291-I303 HydrophobicContact CB-CD1 4.11Å; I291-I303 HydrophobicContact CG2-CD1 3.8Å; I291-V310 HydrophobicContact CB-CG1 4.06Å; I291-V310 HydrophobicContact CG1-CG1 3.34Å; I291-K311 PolarHBondContact N-O 3.14Å; I291-T312 CarbonylContact O-C 3.52Å; I291-V313 PolarHBondContact O-N 2.65Å; I291-G332 CarbonylContact C-O 3.53Å; I291-G332 WeakPolarHBondContact CA-O 3.5Å; I291-F334 HydrophobicContact CG2-CB 3.88Å
292G97.4Very high95.1Very high0 Ų038.2 Ų38.20%021%0.211CC..EExtended strand (participates in β ladder)trans-89.9140.6-18000000112.6V313 G332 V333 F334G292-V313 VanDerWaalsContact CA-O 3.28Å; G292-V313 WeakPolarHBondContact CA-O 3.2Å; G292-G332 PolarHBondContact N-O 3.45Å; G292-V333 CarbonylContact O-C 3.58Å; G292-V333 VanDerWaalsContact O-CA 3.26Å; G292-V333 WeakPolarHBondContact O-CA 3.3Å; G292-F334 PolarHBondContact O-N 3.05Å
293M95.4Very high95.2Very high0 Ų035.7 Ų35.70%020%0.196CC..EExtended strand (participates in β ladder)trans-155.7166.5168.161.2-128.274.900110.5I291 H299 Q300 I303 T312 V313 Y315 Y318I291-M293 VanDerWaalsContact C-CE 3.42Å; I291-M293 HydrophobicContact CB-CE 4.1Å; I291-M293 HydrophobicContact CG2-CE 3.9Å; I291-M293 WeakPolarHBondContact O-CE 3.35Å; M293-H299 HydrophobicContact CB-CB 4.08Å; M293-H299 HydrophobicContact CG-CB 4.32Å; M293-H299 HydrophobicContact SD-CB 4.25Å; M293-Q300 HydrophobicContact CG-CB 3.84Å; M293-Q300 HydrophobicContact CG-CG 4.43Å; M293-Q300 WeakPolarHBondContact SD-CA 3.48Å; M293-Q300 HydrophobicContact SD-CB 3.93Å; M293-Q300 HydrophobicContact SD-CG 4.42Å; M293-Q300 PolarHBondContact SD-N 3.41Å; M293-Q300 VanDerWaalsContact SD-N 3.43Å; M293-I303 HydrophobicContact CE-CD1 3.95Å; M293-I303 HydrophobicContact SD-CD1 4.12Å; M293-T312 HydrophobicContact CE-CG2 4.05Å; M293-T312 HydrophobicContact SD-CG2 4.21Å; M293-V313 PolarHBondContact N-O 2.7Å; M293-V313 VanDerWaalsContact N-O 3.07Å; M293-Y315 PolarHBondContact O-N 3.03Å; M293-Y318 HydrophobicContact CB-CE1 4.37Å
294E93.7Very high95.3Very high6 Ų639.9 Ų39.93%0.02822%0.215CC..EExtended strand (participates in β ladder)trans-73.2147.2176.7-172.5175.7-169.100111.6S190 F231 T297 Y315 Y318S190-E294 PolarHBondContact OG-OE1 2.96Å; F231-E294 HydrophobicContact CB-CG 4.21Å; F231-E294 WeakPolarHBondContact CB-OE1 3.4Å; E294-T297 HydrophobicContact CB-CG2 3.81Å; E294-T297 HydrophobicContact CG-CG2 4.45Å; E294-T297 WeakPolarHBondContact O-CB 2.94Å; E294-T297 VanDerWaalsContact O-CG2 3.3Å; E294-T297 WeakPolarHBondContact O-CG2 3.47Å; E294-T297 PolarHBondContact O-OG1 3.37Å; E294-Y315 CarbonylContact C-O 3Å; E294-Y315 VanDerWaalsContact CA-O 3.31Å; E294-Y315 WeakPolarHBondContact CA-O 3.48Å; E294-Y318 HydrophobicContact CB-CD2 3.8Å; E294-Y318 HydrophobicContact CB-CE2 3.52Å
295N92.9Very high95.4Very high38 Ų3839.9 Ų39.920%0.20321%0.205CC..THydrogen-bonded Turntrans-55.6136.1177.4-83.5-43.5000112.8D232 T297 S314 Y315 D316D232-N295 HydrophobicContact CB-CB 4.16Å; N295-T297 PolarHBondContact O-N 3.33Å; N295-S314 WeakPolarHBondContact OD1-CB 3.11Å; N295-S314 PolarHBondContact OD1-OG 3.19Å; N295-Y315 PolarHBondContact N-O 3.45Å; N295-Y315 PolarHBondContact ND2-O 2.95Å; N295-D316 PolarHBondContact ND2-OD1 3.02Å
296G91Very high95.4Very high42 Ų4240.8 Ų40.843%0.43321%0.207SC..THydrogen-bonded Turntrans74.98.8172.600000114.9R256R256-G296 PolarHBondContact NH2-O 2.91Å; R256-G296 VanDerWaalsContact NH2-O 3.17Å
297T93.9Very high95.3Very high11 Ų1142.2 Ų42.27%0.06721%0.214CC..  trans-78.715817758.40000112.5F231 E294 N295 H299 Q300 K301F231-T297 HydrophobicContact CD1-CG2 3.91Å; F231-T297 HydrophobicContact CE1-CG2 3.98Å; E294-T297 HydrophobicContact CB-CG2 3.81Å; E294-T297 HydrophobicContact CG-CG2 4.45Å; E294-T297 WeakPolarHBondContact O-CB 2.94Å; E294-T297 VanDerWaalsContact O-CG2 3.3Å; E294-T297 WeakPolarHBondContact O-CG2 3.47Å; E294-T297 PolarHBondContact O-OG1 3.37Å; N295-T297 PolarHBondContact O-N 3.33Å; T297-H299 PolarHBondContact O-N 2.52Å; T297-Q300 WeakPolarHBondContact O-CB 3.33Å; T297-Q300 PolarHBondContact O-N 3.35Å; T297-Q300 PolarHBondContact OG1-N 2.91Å; T297-K301 PolarHBondContact O-N 2.82Å
298T93.4Very high95.3Very high8 Ų839.6 Ų39.65%0.04921%0.212CC..Hα-helixtrans-64.7-31.4171.346.60000111.6D251 T253 Q300 K301 Y302 Y362D251-T298 HydrophobicContact CB-CG2 3.88Å; D251-T298 WeakPolarHBondContact OD2-CB 3.36Å; D251-T298 VanDerWaalsContact OD2-CG2 3.31Å; D251-T298 WeakPolarHBondContact OD2-CG2 3.4Å; D251-T298 PolarHBondContact OD2-OG1 3.3Å; T253-T298 HydrophobicContact CG2-CG2 3.73Å; T298-Q300 VanDerWaalsContact C-N 3.34Å; T298-Q300 PolarHBondContact O-N 3.01Å; T298-K301 PolarHBondContact O-N 2.96Å; T298-Y302 WeakPolarHBondContact O-CB 3.15Å; T298-Y302 PolarHBondContact O-N 2.73Å; T298-Y362 WeakPolarHBondContact CB-O 3.41Å; T298-Y362 WeakPolarHBondContact CG2-O 3.24Å
299H95Very high95.2Very high4 Ų441.3 Ų41.32%0.01921%0.21CC..Hα-helixtrans-51.9-49.5169.7-57.4103.6000112.5A271 M293 T297 Y302 I303 Y318 F334 G335 D336 F363A271-H299 WeakPolarHBondContact CB-NE2 3.3Å; M293-H299 HydrophobicContact CB-CB 4.08Å; M293-H299 HydrophobicContact CG-CB 4.32Å; M293-H299 HydrophobicContact SD-CB 4.25Å; T297-H299 PolarHBondContact O-N 2.52Å; H299-Y302 PolarHBondContact O-N 3.06Å; H299-I303 PolarHBondContact O-N 3.33Å; H299-Y318 PolarHBondContact ND1-OH 2.9Å; H299-F334 HydrophobicContact CB-CB 4.34Å; H299-F334 HydrophobicContact CB-CD1 3.49Å; H299-F334 VanDerWaalsContact CB-CD1 3.49Å; H299-F334 HydrophobicContact CB-CE1 4Å; H299-F334 HydrophobicContact CB-CG 4.03Å; H299-F334 AromaticContact CD2-CD1 3.8Å; H299-F334 AromaticContact CD2-CD2 3.95Å; H299-F334 AromaticContact CD2-CE1 3.88Å; H299-F334 AromaticContact CD2-CG 3.82Å; H299-F334 WeakPolarHBondContact O-CD1 3.38Å; H299-G335 VanDerWaalsContact NE2-CA 3.29Å; H299-G335 WeakPolarHBondContact NE2-CA 3.5Å; H299-D336 IonicContact CE1-OD1 3.86Å; H299-D336 PolarHBondContact CE1-OD1 2.91Å; H299-D336 IonicContact CE1-OD2 3.87Å; H299-D336 PolarHBondContact NE2-N 3.02Å; H299-D336 IonicContact NE2-OD1 3.21Å; H299-D336 PolarHBondContact NE2-OD1 3.34Å; H299-F363 AromaticContact CD2-CE1 3.85Å; H299-F363 AromaticContact NE2-CE1 3.78Å
300Q95.6Very high95.2Very high30 Ų3038.5 Ų38.514%0.1420%0.198CC..Hα-helixtrans-59.7-50177.6-170.9-17910.700111.6M293 T297 T298 I303 Q304 S314M293-Q300 HydrophobicContact CG-CB 3.84Å; M293-Q300 HydrophobicContact CG-CG 4.43Å; M293-Q300 WeakPolarHBondContact SD-CA 3.48Å; M293-Q300 HydrophobicContact SD-CB 3.93Å; M293-Q300 HydrophobicContact SD-CG 4.42Å; M293-Q300 PolarHBondContact SD-N 3.41Å; M293-Q300 VanDerWaalsContact SD-N 3.43Å; T297-Q300 WeakPolarHBondContact O-CB 3.33Å; T297-Q300 PolarHBondContact O-N 3.35Å; T297-Q300 PolarHBondContact OG1-N 2.91Å; T298-Q300 VanDerWaalsContact C-N 3.34Å; T298-Q300 PolarHBondContact O-N 3.01Å; Q300-I303 PolarHBondContact O-N 2.87Å; Q300-Q304 VanDerWaalsContact O-CG 3.28Å; Q300-Q304 WeakPolarHBondContact O-CG 3.42Å; Q300-Q304 PolarHBondContact O-N 2.77Å; Q300-Q304 VanDerWaalsContact O-N 3.08Å; Q300-S314 PolarHBondContact NE2-OG 3.33Å
301K94.3Very high95.2Very high79 Ų7939.7 Ų39.734%0.34321%0.206SC..Hα-helixtrans-64.8-41.4-177.9-172.7166.9175.144.20112.1E255 T297 T298 Q304 D305 Y362E255-K301 WeakPolarHBondContact OE2-CE 3.39Å; T297-K301 PolarHBondContact O-N 2.82Å; T298-K301 PolarHBondContact O-N 2.96Å; K301-Q304 PolarHBondContact O-N 3.12Å; K301-D305 WeakPolarHBondContact CG-OD2 3.33Å; K301-D305 IonicContact NZ-OD1 2.76Å; K301-D305 IonicContact NZ-OD2 3.86Å; K301-D305 PolarHBondContact NZ-OD2 3.48Å; K301-D305 WeakPolarHBondContact O-CB 3.34Å; K301-D305 PolarHBondContact O-N 2.81Å; K301-Y362 HydrophobicContact CB-CD1 4.49Å; K301-Y362 HydrophobicContact CG-CD1 4.22Å; K301-Y362 HydrophobicContact CG-CE1 4.07Å
302Y95.4Very high95.1Very high25 Ų2541.7 Ų41.710%0.09822%0.219CC..Hα-helixtrans-60-48.4178.1177.5-93.6000111.8F283 T298 H299 Q304 D305 Q306 H307 F334 V357 D359 Y362 F363F283-Y302 HydrophobicContact CE1-CE1 4.08Å; F283-Y302 HydrophobicContact CE2-CE1 4.21Å; F283-Y302 HydrophobicContact CZ-CD1 4.49Å; F283-Y302 AromaticContact CZ-CE1 3.76Å; F283-Y302 HydrophobicContact CZ-CE1 3.76Å; T298-Y302 WeakPolarHBondContact O-CB 3.15Å; T298-Y302 PolarHBondContact O-N 2.73Å; H299-Y302 PolarHBondContact O-N 3.06Å; Y302-Q304 PolarHBondContact O-N 3.24Å; Y302-D305 PolarHBondContact O-N 3.12Å; Y302-Q306 HydrophobicContact CD2-CB 4.41Å; Y302-Q306 HydrophobicContact CD2-CG 3.91Å; Y302-Q306 HydrophobicContact CE1-CB 4.46Å; Y302-Q306 HydrophobicContact CE2-CB 4.11Å; Y302-Q306 HydrophobicContact CE2-CG 3.72Å; Y302-Q306 VanDerWaalsContact O-CB 3.31Å; Y302-Q306 WeakPolarHBondContact O-CB 3.24Å; Y302-Q306 PolarHBondContact O-N 3.09Å; Y302-H307 AromaticContact CE1-CD2 3.56Å; Y302-H307 AromaticContact CE1-NE2 3.84Å; Y302-H307 AromaticContact CZ-NE2 3.97Å; Y302-H307 PolarHBondContact OH-NE2 2.76Å; Y302-F334 AromaticContact CD1-CE1 3.66Å; Y302-F334 HydrophobicContact CD1-CE1 3.66Å; Y302-F334 AromaticContact CD1-CZ 3.93Å; Y302-F334 HydrophobicContact CD1-CZ 3.93Å; Y302-F334 HydrophobicContact CE1-CZ 4.42Å; Y302-F334 HydrophobicContact CG-CE1 4.27Å; Y302-V357 HydrophobicContact CD2-CG1 4.08Å; Y302-V357 HydrophobicContact CE1-CG1 4.06Å; Y302-V357 HydrophobicContact CE1-CG2 4.01Å; Y302-V357 HydrophobicContact CE2-CG1 3.53Å; Y302-D359 HydrophobicContact CE2-CB 4.36Å; Y302-Y362 HydrophobicContact CD2-CD1 4.33Å; Y302-Y362 AromaticContact CD2-CD2 3.67Å; Y302-Y362 HydrophobicContact CD2-CD2 3.67Å; Y302-Y362 AromaticContact CD2-CE2 4Å; Y302-Y362 HydrophobicContact CD2-CE2 4Å; Y302-Y362 AromaticContact CD2-CG 3.85Å; Y302-Y362 HydrophobicContact CD2-CG 3.85Å; Y302-Y362 HydrophobicContact CE2-CD2 4.36Å; Y302-F363 HydrophobicContact CD2-CE2 4.08Å; Y302-F363 HydrophobicContact CG-CE2 4.19Å
303I95.8Very high95.1Very high0 Ų043.5 Ų43.50%023%0.23CC..Hα-helixtrans-64.4-43.1178.2-66.9-178.9000110.7I291 M293 H299 Q300 D305 H307 V310 T312 F334I291-I303 HydrophobicContact CB-CD1 4.11Å; I291-I303 HydrophobicContact CG2-CD1 3.8Å; M293-I303 HydrophobicContact CE-CD1 3.95Å; M293-I303 HydrophobicContact SD-CD1 4.12Å; H299-I303 PolarHBondContact O-N 3.33Å; Q300-I303 PolarHBondContact O-N 2.87Å; I303-D305 VanDerWaalsContact C-N 3.33Å; I303-D305 PolarHBondContact O-N 3.42Å; I303-H307 HydrophobicContact CG2-CB 4.37Å; I303-H307 CarbonylContact O-C 3.41Å; I303-H307 VanDerWaalsContact O-CA 3.27Å; I303-H307 WeakPolarHBondContact O-CA 3.37Å; I303-H307 PolarHBondContact O-N 3.29Å; I303-H307 VanDerWaalsContact O-O 3.07Å; I303-V310 HydrophobicContact CG2-CB 3.72Å; I303-V310 HydrophobicContact CG2-CG1 3.89Å; I303-T312 HydrophobicContact CB-CG2 3.74Å; I303-T312 HydrophobicContact CG2-CG2 3.46Å; I303-T312 VanDerWaalsContact CG2-CG2 3.46Å; I303-F334 HydrophobicContact CD1-CB 4.13Å; I303-F334 HydrophobicContact CD1-CD1 3.57Å; I303-F334 HydrophobicContact CD1-CE1 4.32Å; I303-F334 HydrophobicContact CD1-CG 4.14Å; I303-F334 HydrophobicContact CG1-CD1 3.76Å; I303-F334 HydrophobicContact CG1-CE1 4.03Å
304Q95.4Very high95.1Very high89 Ų8945.9 Ų45.942%0.41625%0.246SC..Hα-helixtrans-62.6-38.9179.8-73172.5-9.500113Q300 K301 Y302 T312Q300-Q304 VanDerWaalsContact O-CG 3.28Å; Q300-Q304 WeakPolarHBondContact O-CG 3.42Å; Q300-Q304 PolarHBondContact O-N 2.77Å; Q300-Q304 VanDerWaalsContact O-N 3.08Å; K301-Q304 PolarHBondContact O-N 3.12Å; Y302-Q304 PolarHBondContact O-N 3.24Å; Q304-T312 HydrophobicContact CG-CG2 3.94Å
305D95.2Very high95.1Very high74 Ų7446.9 Ų46.940%0.39625%0.25SC..Hα-helixtrans-87.5-37.9-175.4-68-14.5000112.7K301 Y302 I303 Y362K301-D305 WeakPolarHBondContact CG-OD2 3.33Å; K301-D305 IonicContact NZ-OD1 2.76Å; K301-D305 IonicContact NZ-OD2 3.86Å; K301-D305 PolarHBondContact NZ-OD2 3.48Å; K301-D305 WeakPolarHBondContact O-CB 3.34Å; K301-D305 PolarHBondContact O-N 2.81Å; Y302-D305 PolarHBondContact O-N 3.12Å; I303-D305 VanDerWaalsContact C-N 3.33Å; I303-D305 PolarHBondContact O-N 3.42Å; D305-Y362 HydrophobicContact CB-CE1 4Å; D305-Y362 WeakPolarHBondContact CB-OH 3.34Å
306Q94.9Very high95Very high93 Ų9350.5 Ų50.544%0.43527%0.269SS..Hα-helixtrans-103.2-26-173.9-60.2-56-67.500114.5Y302 P308 Y362Y302-Q306 HydrophobicContact CD2-CB 4.41Å; Y302-Q306 HydrophobicContact CD2-CG 3.91Å; Y302-Q306 HydrophobicContact CE1-CB 4.46Å; Y302-Q306 HydrophobicContact CE2-CB 4.11Å; Y302-Q306 HydrophobicContact CE2-CG 3.72Å; Y302-Q306 VanDerWaalsContact O-CB 3.31Å; Y302-Q306 WeakPolarHBondContact O-CB 3.24Å; Y302-Q306 PolarHBondContact O-N 3.09Å; Q306-P308 VanDerWaalsContact C-CD 3.46Å; Q306-Y362 HydrophobicContact CG-CE2 3.99Å; Q306-Y362 PolarHBondContact NE2-OH 3.39Å
307H95.1Very high95Very high29 Ų2949.1 Ų49.113%0.13425%0.253CS..  trans-133.755.4-177.8-64-69.9000111.9F283 Y302 I303 E309 V310F283-H307 WeakPolarHBondContact CB-CE1 3.1Å; F283-H307 AromaticContact CD1-CD2 3.52Å; F283-H307 AromaticContact CD1-CG 3.85Å; F283-H307 AromaticContact CD1-NE2 3.74Å; F283-H307 AromaticContact CD2-NE2 3.71Å; F283-H307 AromaticContact CE1-CD2 3.97Å; F283-H307 AromaticContact CG-CD2 3.73Å; F283-H307 AromaticContact CG-CE1 3.65Å; F283-H307 AromaticContact CG-NE2 3.41Å; F283-H307 WeakPolarHBondContact CG-NE2 3.31Å; Y302-H307 AromaticContact CE1-CD2 3.56Å; Y302-H307 AromaticContact CE1-NE2 3.84Å; Y302-H307 AromaticContact CZ-NE2 3.97Å; Y302-H307 PolarHBondContact OH-NE2 2.76Å; I303-H307 HydrophobicContact CG2-CB 4.37Å; I303-H307 CarbonylContact O-C 3.41Å; I303-H307 VanDerWaalsContact O-CA 3.27Å; I303-H307 WeakPolarHBondContact O-CA 3.37Å; I303-H307 PolarHBondContact O-N 3.29Å; I303-H307 VanDerWaalsContact O-O 3.07Å; H307-E309 WeakPolarHBondContact CA-OE2 3.45Å; H307-E309 IonicContact CG-OE1 2.8Å; H307-E309 IonicContact ND1-OE1 3.2Å; H307-E309 PolarHBondContact ND1-OE1 2.85Å; H307-E309 PolarHBondContact O-N 3.08Å; H307-V310 HydrophobicContact CB-CB 4.42Å; H307-V310 HydrophobicContact CB-CG2 3.92Å; H307-V310 WeakPolarHBondContact O-CB 3.38Å; H307-V310 PolarHBondContact O-N 2.69Å
308P95.5Very high94.9Very high98 Ų9848.7 Ų48.764%0.63625%0.25SS*.THydrogen-bonded Turntrans-60.8-15.2-17727.3-36.8000113.5Q306 V310Q306-P308 VanDerWaalsContact C-CD 3.46Å; P308-V310 PolarHBondContact O-N 3.48Å
309E95.9Very high94.7Very high73 Ų7354 Ų5434%0.34127%0.274SS..THydrogen-bonded Turntrans-69.9-15.3171.472.7-80.6-174.600114.1K287 G288 H307K287-E309 HydrophobicContact CB-CG 4.17Å; K287-E309 HydrophobicContact CD-CB 4.45Å; K287-E309 HydrophobicContact CD-CG 4.47Å; K287-E309 HydrophobicContact CG-CB 4.05Å; K287-E309 HydrophobicContact CG-CG 4.07Å; G288-E309 PolarHBondContact N-O 3.07Å; H307-E309 WeakPolarHBondContact CA-OE2 3.45Å; H307-E309 IonicContact CG-OE1 2.8Å; H307-E309 IonicContact ND1-OE1 3.2Å; H307-E309 PolarHBondContact ND1-OE1 2.85Å; H307-E309 PolarHBondContact O-N 3.08Å
310V97.4Very high94.6Very high7 Ų757.3 Ų57.34%0.04229%0.292CS..SBendtrans-94.8134.4176.2-178.60000109.3L286 I291 I303 H307 P308 T312L286-V310 HydrophobicContact CB-CG1 4.38Å; L286-V310 HydrophobicContact CB-CG2 3.88Å; I291-V310 HydrophobicContact CB-CG1 4.06Å; I291-V310 HydrophobicContact CG1-CG1 3.34Å; I303-V310 HydrophobicContact CG2-CB 3.72Å; I303-V310 HydrophobicContact CG2-CG1 3.89Å; H307-V310 HydrophobicContact CB-CB 4.42Å; H307-V310 HydrophobicContact CB-CG2 3.92Å; H307-V310 WeakPolarHBondContact O-CB 3.38Å; H307-V310 PolarHBondContact O-N 2.69Å; P308-V310 PolarHBondContact O-N 3.48Å; V310-T312 PolarHBondContact O-N 2.89Å
311K97Very high94.6Very high127 Ų12755.9 Ų55.955%0.55229%0.286SS*.EExtended strand (participates in β ladder)trans-85.5108.3-179-60.2-179.6-179.3176.90109.9K289 R290 I291K289-K311 WeakPolarHBondContact O-CA 3.2Å; K289-K311 WeakPolarHBondContact O-CB 3.47Å; K289-K311 PolarHBondContact O-N 3.11Å; R290-K311 CarbonylContact C-O 3.06Å; R290-K311 VanDerWaalsContact CA-O 3.29Å; R290-K311 WeakPolarHBondContact CA-O 3.38Å; R290-K311 HydrophobicContact CG-CB 4.28Å; R290-K311 HydrophobicContact CG-CD 4.42Å; I291-K311 PolarHBondContact N-O 3.14Å
312T97.1Very high94.4Very high42 Ų4253 Ų5326%0.25827%0.273SS..EExtended strand (participates in β ladder)trans-70.5131.6171.757.50000111.1I291 M293 I303 Q304 V310I291-T312 CarbonylContact O-C 3.52Å; M293-T312 HydrophobicContact CE-CG2 4.05Å; M293-T312 HydrophobicContact SD-CG2 4.21Å; I303-T312 HydrophobicContact CB-CG2 3.74Å; I303-T312 HydrophobicContact CG2-CG2 3.46Å; I303-T312 VanDerWaalsContact CG2-CG2 3.46Å; Q304-T312 HydrophobicContact CG-CG2 3.94Å; V310-T312 PolarHBondContact O-N 2.89Å
313V97.5Very high94.3Very high39 Ų3955.8 Ų55.824%0.23629%0.289CS..EExtended strand (participates in β ladder)trans-115.9121.3170.2-172.70000108.1R290 I291 G292 M293 Y315 I330R290-V313 HydrophobicContact CB-CG2 3.77Å; R290-V313 HydrophobicContact CG-CG2 4.18Å; I291-V313 PolarHBondContact O-N 2.65Å; G292-V313 VanDerWaalsContact CA-O 3.28Å; G292-V313 WeakPolarHBondContact CA-O 3.2Å; M293-V313 PolarHBondContact N-O 2.7Å; M293-V313 VanDerWaalsContact N-O 3.07Å; V313-Y315 HydrophobicContact CB-CE2 3.94Å; V313-Y315 HydrophobicContact CG1-CD2 4.31Å; V313-Y315 HydrophobicContact CG1-CE2 3.47Å; V313-Y315 VanDerWaalsContact CG1-CE2 3.47Å; V313-Y315 WeakPolarHBondContact O-CD2 3.17Å; V313-I330 HydrophobicContact CB-CG2 4.07Å; V313-I330 HydrophobicContact CG1-CG2 4.16Å; V313-I330 HydrophobicContact CG2-CG2 3.95Å
314S94.5Very high94.3Very high49 Ų4957.3 Ų57.334%0.34330%0.297SS..EExtended strand (participates in β ladder)trans-96.3135.8-172.6-75.10000111.6N295 Q300N295-S314 WeakPolarHBondContact OD1-CB 3.11Å; N295-S314 PolarHBondContact OD1-OG 3.19Å; Q300-S314 PolarHBondContact NE2-OG 3.33Å
315Y95.1Very high94.3Very high27 Ų2753.9 Ų53.911%0.10628%0.281CS..EExtended strand (participates in β ladder)trans-129153179-66.6-89.8000111.3M293 E294 N295 V313 S317 N320 A321 D324 I330M293-Y315 PolarHBondContact O-N 3.03Å; E294-Y315 CarbonylContact C-O 3Å; E294-Y315 VanDerWaalsContact CA-O 3.31Å; E294-Y315 WeakPolarHBondContact CA-O 3.48Å; N295-Y315 PolarHBondContact N-O 3.45Å; N295-Y315 PolarHBondContact ND2-O 2.95Å; V313-Y315 HydrophobicContact CB-CE2 3.94Å; V313-Y315 HydrophobicContact CG1-CD2 4.31Å; V313-Y315 HydrophobicContact CG1-CE2 3.47Å; V313-Y315 VanDerWaalsContact CG1-CE2 3.47Å; V313-Y315 WeakPolarHBondContact O-CD2 3.17Å; Y315-S317 WeakPolarHBondContact CB-O 3.46Å; Y315-S317 PolarHBondContact O-N 2.81Å; Y315-N320 HydrophobicContact CD1-CB 3.76Å; Y315-N320 HydrophobicContact CE1-CB 4.48Å; Y315-N320 HydrophobicContact CG-CB 4.5Å; Y315-A321 HydrophobicContact CD1-CB 4.41Å; Y315-A321 HydrophobicContact CD2-CB 3.5Å; Y315-A321 HydrophobicContact CE2-CB 3.83Å; Y315-A321 HydrophobicContact CG-CB 3.83Å; Y315-D324 HydrophobicContact CE1-CB 4.21Å; Y315-D324 WeakPolarHBondContact CE1-OD2 2.79Å; Y315-D324 WeakPolarHBondContact OH-CB 3.39Å; Y315-D324 PolarHBondContact OH-OD2 3.2Å; Y315-I330 HydrophobicContact CE2-CD1 4.08Å; Y315-I330 HydrophobicContact CE2-CG2 4.38Å; Y315-I330 VanDerWaalsContact OH-CG2 3.26Å; Y315-I330 WeakPolarHBondContact OH-CG2 3.44Å
316D90Very high94.1Very high114 Ų11456.3 Ų56.361%0.6129%0.288SS*.SBendtrans-73.4-16.7173.4-60.8-23000112.9N295N295-D316 PolarHBondContact ND2-OD1 3.02Å
317S91.1Very high94Very high13 Ų1356.5 Ų56.59%0.09129%0.292CS..SBendtrans-157.1153.6174.673.30000111Y315 Q319 N320 A321Y315-S317 WeakPolarHBondContact CB-O 3.46Å; Y315-S317 PolarHBondContact O-N 2.81Å; S317-Q319 PolarHBondContact O-N 2.83Å; S317-N320 PolarHBondContact O-N 2.89Å; S317-A321 PolarHBondContact O-N 3.11Å
318Y91.3Very high94Very high3 Ų357.4 Ų57.41%0.01231%0.31CS..Hα-helixtrans-62.5-29.5175.1-83.6-77.5000113Y193 M293 E294 H299 N320 A321 F322 V333 F334 W343Y193-Y318 AromaticContact CD2-CD2 3.44Å; Y193-Y318 HydrophobicContact CD2-CD2 3.44Å; Y193-Y318 VanDerWaalsContact CD2-CD2 3.44Å; Y193-Y318 AromaticContact CD2-CE2 3.67Å; Y193-Y318 HydrophobicContact CD2-CE2 3.67Å; Y193-Y318 HydrophobicContact CD2-CG 4.2Å; Y193-Y318 AromaticContact CE2-CD2 3.53Å; Y193-Y318 HydrophobicContact CE2-CD2 3.53Å; Y193-Y318 AromaticContact CE2-CE2 3.31Å; Y193-Y318 HydrophobicContact CE2-CE2 3.31Å; Y193-Y318 HydrophobicContact CE2-CG 4.22Å; Y193-Y318 AromaticContact CE2-CZ 3.85Å; M293-Y318 HydrophobicContact CB-CE1 4.37Å; E294-Y318 HydrophobicContact CB-CD2 3.8Å; E294-Y318 HydrophobicContact CB-CE2 3.52Å; H299-Y318 PolarHBondContact ND1-OH 2.9Å; Y318-N320 VanDerWaalsContact C-N 3.28Å; Y318-N320 PolarHBondContact O-N 3.02Å; Y318-A321 WeakPolarHBondContact O-CB 3.42Å; Y318-A321 PolarHBondContact O-N 3.47Å; Y318-A321 VanDerWaalsContact O-N 3.12Å; Y318-F322 WeakPolarHBondContact O-CD2 3.42Å; Y318-F322 PolarHBondContact O-N 3.31Å; Y318-V333 HydrophobicContact CD1-CG1 3.7Å; Y318-V333 HydrophobicContact CE1-CG1 3.74Å; Y318-F334 VanDerWaalsContact CE1-O 3.24Å; Y318-F334 WeakPolarHBondContact CE1-O 3.48Å; Y318-F334 PolarHBondContact OH-O 2.86Å; Y318-W343 AromaticContact CD1-CH2 3.34Å; Y318-W343 HydrophobicContact CD1-CH2 3.34Å; Y318-W343 AromaticContact CD1-CZ2 3.87Å; Y318-W343 HydrophobicContact CD1-CZ2 3.87Å; Y318-W343 HydrophobicContact CD1-CZ3 4.3Å; Y318-W343 HydrophobicContact CD2-CH2 4.36Å; Y318-W343 HydrophobicContact CD2-CZ2 4.45Å; Y318-W343 AromaticContact CE1-CH2 3.7Å; Y318-W343 HydrophobicContact CE1-CH2 3.7Å; Y318-W343 HydrophobicContact CE1-CZ3 4.47Å; Y318-W343 AromaticContact CG-CH2 3.7Å; Y318-W343 HydrophobicContact CG-CH2 3.7Å; Y318-W343 AromaticContact CG-CZ2 3.77Å; Y318-W343 HydrophobicContact CG-CZ2 3.77Å
319Q90.2Very high94Very high119 Ų11959.1 Ų59.156%0.55630%0.304SS*.Hα-helixtrans-57-42.4176.6-65.9176.5-16.800111.9S317 F322 I323S317-Q319 PolarHBondContact O-N 2.83Å; Q319-F322 PolarHBondContact O-N 2.73Å; Q319-I323 WeakPolarHBondContact O-CG1 3.33Å; Q319-I323 PolarHBondContact O-N 2.82Å; Q319-I323 VanDerWaalsContact O-N 3.1Å
320N93.1Very high94.1Very high74 Ų7455.9 Ų55.940%0.39629%0.289SS..Hα-helixtrans-68.3-39.4177-70.1-26.4000111.8Y315 S317 Y318 F322 I323 D324Y315-N320 HydrophobicContact CD1-CB 3.76Å; Y315-N320 HydrophobicContact CE1-CB 4.48Å; Y315-N320 HydrophobicContact CG-CB 4.5Å; S317-N320 PolarHBondContact O-N 2.89Å; Y318-N320 VanDerWaalsContact C-N 3.28Å; Y318-N320 PolarHBondContact O-N 3.02Å; N320-F322 VanDerWaalsContact C-N 3.31Å; N320-F322 PolarHBondContact O-N 3.5Å; N320-I323 PolarHBondContact O-N 3.02Å; N320-D324 PolarHBondContact O-N 3.28Å; N320-D324 VanDerWaalsContact O-N 3.13Å
321A94.2Very high94.1Very high0 Ų057.4 Ų57.40%030%0.297CS..Hα-helixtrans-59.7-42.5174.200000111.5Y315 S317 Y318 D324 L325 I330 V333Y315-A321 HydrophobicContact CD1-CB 4.41Å; Y315-A321 HydrophobicContact CD2-CB 3.5Å; Y315-A321 HydrophobicContact CE2-CB 3.83Å; Y315-A321 HydrophobicContact CG-CB 3.83Å; S317-A321 PolarHBondContact O-N 3.11Å; Y318-A321 WeakPolarHBondContact O-CB 3.42Å; Y318-A321 PolarHBondContact O-N 3.47Å; Y318-A321 VanDerWaalsContact O-N 3.12Å; A321-D324 PolarHBondContact O-N 3.17Å; A321-L325 WeakPolarHBondContact O-CB 3.44Å; A321-L325 PolarHBondContact O-N 2.72Å; A321-I330 HydrophobicContact CB-CD1 4.35Å; A321-I330 VanDerWaalsContact O-CD1 3.26Å; A321-I330 WeakPolarHBondContact O-CD1 3.48Å; A321-V333 HydrophobicContact CB-CG2 4.04Å
322F91.2Very high94.2Very high17 Ų1751.3 Ų51.38%0.07527%0.27CS..Hα-helixtrans-66.2-38.2177.5-93.5-87000114I274 Y318 Q319 N320 D324 L325 K326 V333 W343 L350I274-F322 HydrophobicContact CD1-CE1 3.72Å; I274-F322 HydrophobicContact CD1-CE2 4.5Å; I274-F322 HydrophobicContact CD1-CZ 3.42Å; I274-F322 VanDerWaalsContact CD1-CZ 3.42Å; Y318-F322 WeakPolarHBondContact O-CD2 3.42Å; Y318-F322 PolarHBondContact O-N 3.31Å; Q319-F322 PolarHBondContact O-N 2.73Å; N320-F322 VanDerWaalsContact C-N 3.31Å; N320-F322 PolarHBondContact O-N 3.5Å; F322-D324 VanDerWaalsContact C-N 3.27Å; F322-D324 PolarHBondContact O-N 3.3Å; F322-L325 PolarHBondContact O-N 2.95Å; F322-K326 WeakPolarHBondContact O-CB 3.34Å; F322-K326 WeakPolarHBondContact O-CG 3.35Å; F322-K326 PolarHBondContact O-N 2.72Å; F322-V333 HydrophobicContact CE2-CG1 4.09Å; F322-W343 HydrophobicContact CD2-CD2 4.46Å; F322-W343 HydrophobicContact CD2-CZ2 4.48Å; F322-W343 HydrophobicContact CE1-CB 4.11Å; F322-W343 HydrophobicContact CE1-CD2 4.39Å; F322-W343 HydrophobicContact CE1-CG 4.23Å; F322-W343 AromaticContact CE2-CD2 3.25Å; F322-W343 HydrophobicContact CE2-CD2 3.25Å; F322-W343 AromaticContact CE2-CE2 3.39Å; F322-W343 AromaticContact CE2-CE3 3.4Å; F322-W343 HydrophobicContact CE2-CE3 3.4Å; F322-W343 AromaticContact CE2-CG 3.81Å; F322-W343 HydrophobicContact CE2-CG 3.81Å; F322-W343 AromaticContact CE2-CH2 3.8Å; F322-W343 HydrophobicContact CE2-CH2 3.8Å; F322-W343 AromaticContact CE2-CZ2 3.65Å; F322-W343 HydrophobicContact CE2-CZ2 3.65Å; F322-W343 AromaticContact CE2-CZ3 3.67Å; F322-W343 HydrophobicContact CE2-CZ3 3.67Å; F322-W343 HydrophobicContact CZ-CB 3.63Å; F322-W343 AromaticContact CZ-CD2 3.19Å; F322-W343 HydrophobicContact CZ-CD2 3.19Å; F322-W343 AromaticContact CZ-CE2 3.85Å; F322-W343 AromaticContact CZ-CE3 3.27Å; F322-W343 HydrophobicContact CZ-CE3 3.27Å; F322-W343 AromaticContact CZ-CG 3.4Å; F322-W343 HydrophobicContact CZ-CG 3.4Å; F322-W343 HydrophobicContact CZ-CZ2 4.45Å; F322-W343 AromaticContact CZ-CZ3 3.96Å; F322-W343 HydrophobicContact CZ-CZ3 3.96Å; F322-L350 HydrophobicContact CD1-CD1 4.31Å; F322-L350 HydrophobicContact CE1-CD1 3.75Å
323I92.5Very high94.2Very high85 Ų8549.3 Ų49.344%0.43626%0.258SS..Hα-helixtrans-59.7-44.4174.3-70.2165.9000109.5Q319 N320 K326 N327Q319-I323 WeakPolarHBondContact O-CG1 3.33Å; Q319-I323 PolarHBondContact O-N 2.82Å; Q319-I323 VanDerWaalsContact O-N 3.1Å; N320-I323 PolarHBondContact O-N 3.02Å; I323-K326 PolarHBondContact O-N 2.83Å; I323-N327 WeakPolarHBondContact O-CB 3.48Å; I323-N327 PolarHBondContact O-N 3.43Å; I323-N327 PolarHBondContact O-ND2 3.38Å; I323-N327 VanDerWaalsContact O-ND2 3.14Å
324D96.2Very high94.1Very high31 Ų3147.5 Ų47.517%0.16625%0.247CC..Hα-helixtrans-70.7-34.4178.4-86.14000113.4Y315 N320 A321 F322 N327 G328 R329 I330Y315-D324 HydrophobicContact CE1-CB 4.21Å; Y315-D324 WeakPolarHBondContact CE1-OD2 2.79Å; Y315-D324 WeakPolarHBondContact OH-CB 3.39Å; Y315-D324 PolarHBondContact OH-OD2 3.2Å; N320-D324 PolarHBondContact O-N 3.28Å; N320-D324 VanDerWaalsContact O-N 3.13Å; A321-D324 PolarHBondContact O-N 3.17Å; F322-D324 VanDerWaalsContact C-N 3.27Å; F322-D324 PolarHBondContact O-N 3.3Å; D324-N327 CarbonylContact O-C 3.59Å; D324-N327 PolarHBondContact O-N 3.48Å; D324-G328 PolarHBondContact O-N 3.3Å; D324-G328 VanDerWaalsContact O-N 3.07Å; D324-R329 HydrophobicContact CB-CB 3.92Å; D324-R329 PolarHBondContact O-N 3.28Å; D324-R329 IonicContact OD1-CZ 3.98Å; D324-R329 IonicContact OD1-NE 3.21Å; D324-R329 PolarHBondContact OD1-NE 2.81Å; D324-R329 IonicContact OD1-NH2 3.96Å; D324-R329 PolarHBondContact OD1-NH2 2.96Å; D324-R329 IonicContact OD2-NE 2.74Å; D324-I330 HydrophobicContact CB-CD1 4.44Å; D324-I330 HydrophobicContact CB-CG1 4.21Å; D324-I330 PolarHBondContact O-N 3.19Å
325L95.2Very high94.2Very high17 Ų1745.1 Ų45.19%0.08923%0.23CC..Hα-helixtrans-62.1-46.7172.4-179.861.4000110.8A321 F322 N327 G328 I330 V333 L350A321-L325 WeakPolarHBondContact O-CB 3.44Å; A321-L325 PolarHBondContact O-N 2.72Å; F322-L325 PolarHBondContact O-N 2.95Å; L325-N327 VanDerWaalsContact C-N 3.27Å; L325-N327 PolarHBondContact O-N 2.62Å; L325-G328 PolarHBondContact O-N 2.73Å; L325-G328 VanDerWaalsContact O-N 3.08Å; L325-I330 HydrophobicContact CB-CD1 4.12Å; L325-I330 HydrophobicContact CB-CG1 3.87Å; L325-I330 HydrophobicContact CD1-CG1 4.29Å; L325-V333 HydrophobicContact CB-CG2 4.29Å; L325-V333 HydrophobicContact CD2-CG2 3.96Å; L325-L350 HydrophobicContact CD2-CD1 3.8Å; L325-L350 HydrophobicContact CD2-CD2 3.94Å; L325-L350 HydrophobicContact CG-CD2 4.37Å
326K91Very high94.1Very high125 Ų12544 Ų4454%0.54323%0.226SC..Hα-helixtrans-62-36.3176.9-73.7178.1-178.4-174.40112.2F322 I323 G328 N347F322-K326 WeakPolarHBondContact O-CB 3.34Å; F322-K326 WeakPolarHBondContact O-CG 3.35Å; F322-K326 PolarHBondContact O-N 2.72Å; I323-K326 PolarHBondContact O-N 2.83Å; K326-G328 VanDerWaalsContact C-N 3.26Å; K326-G328 PolarHBondContact O-N 3.43Å; K326-N347 WeakPolarHBondContact CE-OD1 3.48Å; K326-N347 PolarHBondContact NZ-OD1 3.25Å
327N93.8Very high94.2Very high97 Ų9739.8 Ų39.852%0.51920%0.204SC..THydrogen-bonded Turntrans-81.60177.5-66.9-25.2000113.6I323 D324 L325 R329I323-N327 WeakPolarHBondContact O-CB 3.48Å; I323-N327 PolarHBondContact O-N 3.43Å; I323-N327 PolarHBondContact O-ND2 3.38Å; I323-N327 VanDerWaalsContact O-ND2 3.14Å; D324-N327 CarbonylContact O-C 3.59Å; D324-N327 PolarHBondContact O-N 3.48Å; L325-N327 VanDerWaalsContact C-N 3.27Å; L325-N327 PolarHBondContact O-N 2.62Å; N327-R329 HydrophobicContact CB-CG 4.44Å; N327-R329 PolarHBondContact ND2-NH2 2.96Å; N327-R329 PolarHBondContact O-N 3.3Å
328G93.8Very high94.3Very high49 Ų4939.7 Ų39.751%0.50521%0.205SC..THydrogen-bonded Turntrans69.116.3-178.100000114.5R290 D324 L325 K326 I330R290-G328 PolarHBondContact NH2-O 3.22Å; D324-G328 PolarHBondContact O-N 3.3Å; D324-G328 VanDerWaalsContact O-N 3.07Å; L325-G328 PolarHBondContact O-N 2.73Å; L325-G328 VanDerWaalsContact O-N 3.08Å; K326-G328 VanDerWaalsContact C-N 3.26Å; K326-G328 PolarHBondContact O-N 3.43Å; G328-I330 VanDerWaalsContact C-N 3.33Å
329R96.8Very high94.3Very high133 Ų13339.6 Ų39.650%0.50220%0.204SC..SBendtrans-79-17.7175.5-72.5-163.7-78.9-126.32.5112.9R290 D324 N327R290-R329 PolarHBondContact NE-O 3.31Å; R290-R329 PolarHBondContact NH1-O 3.26Å; R290-R329 PolarHBondContact NH2-O 2.82Å; R290-R329 VanDerWaalsContact NH2-O 3.12Å; D324-R329 HydrophobicContact CB-CB 3.92Å; D324-R329 PolarHBondContact O-N 3.28Å; D324-R329 IonicContact OD1-CZ 3.98Å; D324-R329 IonicContact OD1-NE 3.21Å; D324-R329 PolarHBondContact OD1-NE 2.81Å; D324-R329 IonicContact OD1-NH2 3.96Å; D324-R329 PolarHBondContact OD1-NH2 2.96Å; D324-R329 IonicContact OD2-NE 2.74Å; N327-R329 HydrophobicContact CB-CG 4.44Å; N327-R329 PolarHBondContact ND2-NH2 2.96Å; N327-R329 PolarHBondContact O-N 3.3Å
330I97.8Very high94.4Very high5 Ų533.9 Ų33.93%0.02618%0.178CC..SBendtrans-133.8162.1166.760.9175000109.5R290 V313 Y315 A321 D324 L325 G328 G332 V333R290-I330 HydrophobicContact CB-CB 4.25Å; R290-I330 HydrophobicContact CB-CG2 4.14Å; R290-I330 WeakPolarHBondContact O-CB 3.16Å; V313-I330 HydrophobicContact CB-CG2 4.07Å; V313-I330 HydrophobicContact CG1-CG2 4.16Å; V313-I330 HydrophobicContact CG2-CG2 3.95Å; Y315-I330 HydrophobicContact CE2-CD1 4.08Å; Y315-I330 HydrophobicContact CE2-CG2 4.38Å; Y315-I330 VanDerWaalsContact OH-CG2 3.26Å; Y315-I330 WeakPolarHBondContact OH-CG2 3.44Å; A321-I330 HydrophobicContact CB-CD1 4.35Å; A321-I330 VanDerWaalsContact O-CD1 3.26Å; A321-I330 WeakPolarHBondContact O-CD1 3.48Å; D324-I330 HydrophobicContact CB-CD1 4.44Å; D324-I330 HydrophobicContact CB-CG1 4.21Å; D324-I330 PolarHBondContact O-N 3.19Å; L325-I330 HydrophobicContact CB-CD1 4.12Å; L325-I330 HydrophobicContact CB-CG1 3.87Å; L325-I330 HydrophobicContact CD1-CG1 4.29Å; G328-I330 VanDerWaalsContact C-N 3.33Å; I330-G332 WeakPolarHBondContact CD1-O 3.18Å; I330-V333 HydrophobicContact CD1-CG2 3.81Å
331D97.8Very high94.3Very high39 Ų3934.3 Ų34.321%0.20918%0.18CC..SBendtrans-96.1-20.7-173.8-62.5-82.6000113A275 Y280 K289 R290A275-D331 VanDerWaalsContact CB-O 3.29Å; A275-D331 WeakPolarHBondContact CB-O 3.38Å; Y280-D331 HydrophobicContact CE2-CB 4.42Å; K289-D331 HydrophobicContact CB-CB 3.82Å; K289-D331 HydrophobicContact CD-CB 4.3Å; K289-D331 HydrophobicContact CG-CB 4.41Å; R290-D331 PolarHBondContact N-OD2 2.75Å; R290-D331 IonicContact NE-OD2 3.72Å; R290-D331 PolarHBondContact O-N 2.92Å
332G97.4Very high94.2Very high0 Ų037.1 Ų37.10%019%0.193CC..EExtended strand (participates in β ladder)trans-168.7173.7177.900000112.8I274 R290 I291 G292 I330I274-G332 CarbonylContact O-C 3.46Å; I274-G332 WeakPolarHBondContact O-CA 3.4Å; R290-G332 PolarHBondContact O-N 2.81Å; I291-G332 CarbonylContact C-O 3.53Å; I291-G332 WeakPolarHBondContact CA-O 3.5Å; G292-G332 PolarHBondContact N-O 3.45Å; I330-G332 WeakPolarHBondContact CD1-O 3.18Å
333V97.3Very high94.2Very high0 Ų037.4 Ų37.40%019%0.194CC..EExtended strand (participates in β ladder)trans-129.6136.3176.3170.40000109.1V273 I274 G292 Y318 A321 F322 L325 I330 W343V273-V333 CarbonylContact C-O 3.48Å; V273-V333 WeakPolarHBondContact CA-O 3.46Å; I274-V333 HydrophobicContact CG1-CB 4.11Å; I274-V333 PolarHBondContact N-O 2.8Å; I274-V333 PolarHBondContact O-N 2.82Å; G292-V333 CarbonylContact O-C 3.58Å; G292-V333 VanDerWaalsContact O-CA 3.26Å; G292-V333 WeakPolarHBondContact O-CA 3.3Å; Y318-V333 HydrophobicContact CD1-CG1 3.7Å; Y318-V333 HydrophobicContact CE1-CG1 3.74Å; A321-V333 HydrophobicContact CB-CG2 4.04Å; F322-V333 HydrophobicContact CE2-CG1 4.09Å; L325-V333 HydrophobicContact CB-CG2 4.29Å; L325-V333 HydrophobicContact CD2-CG2 3.96Å; I330-V333 HydrophobicContact CD1-CG2 3.81Å; V333-W343 HydrophobicContact CG1-CH2 4.29Å; V333-W343 HydrophobicContact CG1-CZ3 4Å
334F97Very high94.2Very high0 Ų035.2 Ų35.20%018%0.183CC..EExtended strand (participates in β ladder)trans-107.3124.3179-168.9-153.8000111.2A271 V272 V273 F283 I291 G292 H299 Y302 I303 Y318 V357 F363A271-F334 HydrophobicContact CB-CD2 4.29Å; A271-F334 HydrophobicContact CB-CE2 3.47Å; A271-F334 VanDerWaalsContact CB-CE2 3.47Å; A271-F334 HydrophobicContact CB-CZ 3.79Å; V272-F334 VanDerWaalsContact C-CD2 3.46Å; V272-F334 WeakPolarHBondContact O-CD2 3.37Å; V273-F334 HydrophobicContact CB-CD2 4.41Å; V273-F334 HydrophobicContact CG2-CB 4.02Å; V273-F334 HydrophobicContact CG2-CD2 3.54Å; V273-F334 HydrophobicContact CG2-CE2 4.14Å; V273-F334 HydrophobicContact CG2-CG 3.86Å; F283-F334 HydrophobicContact CZ-CE2 4.37Å; F283-F334 HydrophobicContact CZ-CZ 4.25Å; I291-F334 HydrophobicContact CG2-CB 3.88Å; G292-F334 PolarHBondContact O-N 3.05Å; H299-F334 HydrophobicContact CB-CB 4.34Å; H299-F334 HydrophobicContact CB-CD1 3.49Å; H299-F334 VanDerWaalsContact CB-CD1 3.49Å; H299-F334 HydrophobicContact CB-CE1 4Å; H299-F334 HydrophobicContact CB-CG 4.03Å; H299-F334 AromaticContact CD2-CD1 3.8Å; H299-F334 AromaticContact CD2-CD2 3.95Å; H299-F334 AromaticContact CD2-CE1 3.88Å; H299-F334 AromaticContact CD2-CG 3.82Å; H299-F334 WeakPolarHBondContact O-CD1 3.38Å; Y302-F334 AromaticContact CD1-CE1 3.66Å; Y302-F334 HydrophobicContact CD1-CE1 3.66Å; Y302-F334 AromaticContact CD1-CZ 3.93Å; Y302-F334 HydrophobicContact CD1-CZ 3.93Å; Y302-F334 HydrophobicContact CE1-CZ 4.42Å; Y302-F334 HydrophobicContact CG-CE1 4.27Å; I303-F334 HydrophobicContact CD1-CB 4.13Å; I303-F334 HydrophobicContact CD1-CD1 3.57Å; I303-F334 HydrophobicContact CD1-CE1 4.32Å; I303-F334 HydrophobicContact CD1-CG 4.14Å; I303-F334 HydrophobicContact CG1-CD1 3.76Å; I303-F334 HydrophobicContact CG1-CE1 4.03Å; Y318-F334 VanDerWaalsContact CE1-O 3.24Å; Y318-F334 WeakPolarHBondContact CE1-O 3.48Å; Y318-F334 PolarHBondContact OH-O 2.86Å; F334-V357 HydrophobicContact CE2-CG2 4.45Å; F334-V357 HydrophobicContact CZ-CB 4.48Å; F334-V357 HydrophobicContact CZ-CG2 4.16Å; F334-F363 HydrophobicContact CE1-CZ 4.21Å; F334-F363 AromaticContact CZ-CZ 3.84Å; F334-F363 HydrophobicContact CZ-CZ 3.84Å
335G94.7Very high93.9Very high0 Ų040.1 Ų40.10%020%0.203CC..EExtended strand (participates in β ladder)trans-159.5176.8-177.300000112.4A271 V272 H299A271-G335 VanDerWaalsContact CA-O 3.32Å; A271-G335 WeakPolarHBondContact CA-O 3.3Å; A271-G335 WeakPolarHBondContact CB-O 3.42Å; V272-G335 PolarHBondContact N-O 3.02Å; V272-G335 PolarHBondContact O-N 2.87Å; V272-G335 VanDerWaalsContact O-O 3.1Å; H299-G335 VanDerWaalsContact NE2-CA 3.29Å; H299-G335 WeakPolarHBondContact NE2-CA 3.5Å
336D93.9Very high93.7Very high2 Ų244.1 Ų44.11%0.01123%0.228CC..EExtended strand (participates in β ladder)trans-68.5143.9-179.8-60.8-44.3000110.9Y193 N269 S270 H299 A338 V339 V340Y193-D336 HydrophobicContact CE1-CB 4.43Å; Y193-D336 WeakPolarHBondContact CE1-OD2 3.29Å; Y193-D336 WeakPolarHBondContact OH-CB 3.46Å; Y193-D336 PolarHBondContact OH-N 2.92Å; Y193-D336 PolarHBondContact OH-OD2 3.1Å; N269-D336 PolarHBondContact ND2-OD1 3.15Å; N269-D336 WeakPolarHBondContact OD1-CB 3.46Å; N269-D336 VanDerWaalsContact OD1-CG 3.27Å; N269-D336 PolarHBondContact OD1-OD1 2.94Å; S270-D336 CarbonylContact O-C 3.56Å; S270-D336 WeakPolarHBondContact O-CA 3.48Å; H299-D336 IonicContact CE1-OD1 3.86Å; H299-D336 PolarHBondContact CE1-OD1 2.91Å; H299-D336 IonicContact CE1-OD2 3.87Å; H299-D336 PolarHBondContact NE2-N 3.02Å; H299-D336 IonicContact NE2-OD1 3.21Å; H299-D336 PolarHBondContact NE2-OD1 3.34Å; D336-A338 PolarHBondContact O-N 3.4Å; D336-V339 HydrophobicContact CB-CG2 4.42Å; D336-V339 PolarHBondContact O-N 3.29Å; D336-V340 WeakPolarHBondContact O-CB 3.3Å; D336-V340 WeakPolarHBondContact O-CG2 3.48Å; D336-V340 PolarHBondContact O-N 3.48Å
337T92.9Very high93.7Very high26 Ų2638.6 Ų38.616%0.1620%0.204CC..Hα-helixtrans-57.1-38.6-175.2-56.30000111.5S270 V340 N341S270-T337 WeakPolarHBondContact O-CB 3.5Å; S270-T337 PolarHBondContact O-N 3.37Å; S270-T337 PolarHBondContact O-OG1 3.15Å; S270-T337 PolarHBondContact OG-OG1 3.16Å; S270-T337 VanDerWaalsContact OG-OG1 3.11Å; T337-V340 PolarHBondContact O-N 3.35Å; T337-N341 WeakPolarHBondContact O-CB 3.45Å; T337-N341 PolarHBondContact O-N 3.33Å; T337-N341 PolarHBondContact O-ND2 3.43Å
338A92Very high93.6Very high12 Ų1238.9 Ų38.910%0.09921%0.211CC..Hα-helixtrans-63.2-45.417800000111.8F196 Y267 D336 N341 E342 F403F196-A338 HydrophobicContact CE2-CB 4.03Å; F196-A338 HydrophobicContact CZ-CB 4.07Å; Y267-A338 WeakPolarHBondContact OH-CB 3.14Å; D336-A338 PolarHBondContact O-N 3.4Å; A338-N341 PolarHBondContact O-N 3.39Å; A338-E342 PolarHBondContact O-N 3.44Å; A338-F403 HydrophobicContact CB-CD1 4.16Å; A338-F403 HydrophobicContact CB-CE1 3.61Å
339V92.2Very high93.5Very high0 Ų040.8 Ų40.80%021%0.207CC..Hα-helixtrans-69.2-42.41781730000111.3Y193 P194 F196 D336 N341 E342 W343Y193-V339 HydrophobicContact CD1-CG2 3.55Å; Y193-V339 HydrophobicContact CD2-CB 4.47Å; Y193-V339 HydrophobicContact CD2-CG1 3.8Å; Y193-V339 HydrophobicContact CD2-CG2 4.14Å; Y193-V339 HydrophobicContact CE1-CB 4.17Å; Y193-V339 HydrophobicContact CE1-CG1 4.5Å; Y193-V339 HydrophobicContact CE1-CG2 3.25Å; Y193-V339 HydrophobicContact CE2-CB 3.99Å; Y193-V339 HydrophobicContact CE2-CG1 3.54Å; Y193-V339 HydrophobicContact CE2-CG2 3.88Å; Y193-V339 HydrophobicContact CG-CG1 4.38Å; Y193-V339 HydrophobicContact CG-CG2 3.99Å; Y193-V339 VanDerWaalsContact CZ-CG2 3.43Å; P194-V339 WeakPolarHBondContact O-CA 3.38Å; P194-V339 VanDerWaalsContact O-CG1 3.28Å; P194-V339 WeakPolarHBondContact O-CG1 3.39Å; P194-V339 WeakPolarHBondContact O-CG2 3.32Å; F196-V339 HydrophobicContact CD2-CG2 3.46Å; F196-V339 VanDerWaalsContact CD2-CG2 3.46Å; F196-V339 HydrophobicContact CE2-CG2 3.61Å; D336-V339 HydrophobicContact CB-CG2 4.42Å; D336-V339 PolarHBondContact O-N 3.29Å; V339-N341 VanDerWaalsContact C-N 3.31Å; V339-N341 PolarHBondContact O-N 2.93Å; V339-E342 WeakPolarHBondContact O-CB 3.43Å; V339-E342 PolarHBondContact O-N 2.92Å; V339-E342 VanDerWaalsContact O-N 3.1Å; V339-W343 HydrophobicContact CB-CZ2 4.49Å; V339-W343 HydrophobicContact CG1-CD2 3.66Å; V339-W343 HydrophobicContact CG1-CE3 3.95Å; V339-W343 HydrophobicContact CG1-CG 4.46Å; V339-W343 HydrophobicContact CG1-CH2 3.43Å; V339-W343 VanDerWaalsContact CG1-CH2 3.43Å; V339-W343 HydrophobicContact CG1-CZ2 3.08Å; V339-W343 HydrophobicContact CG1-CZ3 3.86Å; V339-W343 PolarHBondContact O-N 3.49Å
340V92.3Very high93.4Very high0 Ų035.2 Ų35.20%019%0.187CC..Hα-helixtrans-57.1-45.7174.9159.50000111.3V272 I274 D336 T337 E342 W343 L344V272-V340 HydrophobicContact CG2-CB 3.95Å; V272-V340 HydrophobicContact CG2-CG1 3.68Å; V272-V340 HydrophobicContact CG2-CG2 3.94Å; I274-V340 HydrophobicContact CG2-CB 4.23Å; I274-V340 HydrophobicContact CG2-CG1 3.26Å; I274-V340 HydrophobicContact CG2-CG2 4.03Å; D336-V340 WeakPolarHBondContact O-CB 3.3Å; D336-V340 WeakPolarHBondContact O-CG2 3.48Å; D336-V340 PolarHBondContact O-N 3.48Å; T337-V340 PolarHBondContact O-N 3.35Å; V340-E342 VanDerWaalsContact C-N 3.25Å; V340-E342 PolarHBondContact O-N 3.41Å; V340-W343 HydrophobicContact CB-CE3 4.41Å; V340-W343 HydrophobicContact CG2-CE3 3.83Å; V340-W343 HydrophobicContact CG2-CZ3 3.88Å; V340-W343 PolarHBondContact O-N 3.08Å; V340-W343 VanDerWaalsContact O-N 3.15Å; V340-L344 HydrophobicContact CG1-CD1 3.95Å; V340-L344 HydrophobicContact CG1-CG 4.27Å; V340-L344 WeakPolarHBondContact O-CG 3.42Å; V340-L344 PolarHBondContact O-N 3.42Å
341N91.2Very high93.2Very high83 Ų8335.6 Ų35.644%0.44419%0.192SC..Hα-helixtrans-60.4-37.7177.6-73.3-19.5000111.8T337 A338 V339 L344 K345T337-N341 WeakPolarHBondContact O-CB 3.45Å; T337-N341 PolarHBondContact O-N 3.33Å; T337-N341 PolarHBondContact O-ND2 3.43Å; A338-N341 PolarHBondContact O-N 3.39Å; V339-N341 VanDerWaalsContact C-N 3.31Å; V339-N341 PolarHBondContact O-N 2.93Å; N341-L344 PolarHBondContact O-N 3.49Å; N341-K345 WeakPolarHBondContact O-CG 3.32Å; N341-K345 PolarHBondContact O-N 3.42Å
342E90.9Very high93.1Very high59 Ų5937.2 Ų37.228%0.27620%0.203SC..Hα-helixtrans-65.9-42.6174.6-170.455.7-148.700111.9P194 A338 V339 V340 L344 K345P194-E342 HydrophobicContact CB-CG 4.4Å; A338-E342 PolarHBondContact O-N 3.44Å; V339-E342 WeakPolarHBondContact O-CB 3.43Å; V339-E342 PolarHBondContact O-N 2.92Å; V339-E342 VanDerWaalsContact O-N 3.1Å; V340-E342 VanDerWaalsContact C-N 3.25Å; V340-E342 PolarHBondContact O-N 3.41Å; E342-L344 VanDerWaalsContact C-N 3.35Å; E342-L344 PolarHBondContact O-N 3.2Å; E342-K345 PolarHBondContact O-N 2.83Å; E342-K345 WeakPolarHBondContact OE2-CD 3.28Å; E342-K345 WeakPolarHBondContact OE2-CE 3.5Å; E342-K345 IonicContact OE2-NZ 3.76Å; E342-K345 PolarHBondContact OE2-NZ 3.44Å
343W91.3Very high93Very high22 Ų2237.3 Ų37.38%0.08320%0.204CC..Hα-helixtrans-63.1-38.4175.4-63.1-26.9000113Y193 I274 Y318 F322 V333 V339 V340 K345 T346 N347Y193-W343 HydrophobicContact CD2-CH2 4.41Å; Y193-W343 HydrophobicContact CD2-CZ2 4.11Å; Y193-W343 AromaticContact CE2-CH2 3.85Å; Y193-W343 HydrophobicContact CE2-CH2 3.85Å; Y193-W343 AromaticContact CE2-CZ2 4Å; Y193-W343 HydrophobicContact CE2-CZ2 4Å; I274-W343 HydrophobicContact CD1-CE3 4.08Å; Y318-W343 AromaticContact CD1-CH2 3.34Å; Y318-W343 HydrophobicContact CD1-CH2 3.34Å; Y318-W343 AromaticContact CD1-CZ2 3.87Å; Y318-W343 HydrophobicContact CD1-CZ2 3.87Å; Y318-W343 HydrophobicContact CD1-CZ3 4.3Å; Y318-W343 HydrophobicContact CD2-CH2 4.36Å; Y318-W343 HydrophobicContact CD2-CZ2 4.45Å; Y318-W343 AromaticContact CE1-CH2 3.7Å; Y318-W343 HydrophobicContact CE1-CH2 3.7Å; Y318-W343 HydrophobicContact CE1-CZ3 4.47Å; Y318-W343 AromaticContact CG-CH2 3.7Å; Y318-W343 HydrophobicContact CG-CH2 3.7Å; Y318-W343 AromaticContact CG-CZ2 3.77Å; Y318-W343 HydrophobicContact CG-CZ2 3.77Å; F322-W343 HydrophobicContact CD2-CD2 4.46Å; F322-W343 HydrophobicContact CD2-CZ2 4.48Å; F322-W343 HydrophobicContact CE1-CB 4.11Å; F322-W343 HydrophobicContact CE1-CD2 4.39Å; F322-W343 HydrophobicContact CE1-CG 4.23Å; F322-W343 AromaticContact CE2-CD2 3.25Å; F322-W343 HydrophobicContact CE2-CD2 3.25Å; F322-W343 AromaticContact CE2-CE2 3.39Å; F322-W343 AromaticContact CE2-CE3 3.4Å; F322-W343 HydrophobicContact CE2-CE3 3.4Å; F322-W343 AromaticContact CE2-CG 3.81Å; F322-W343 HydrophobicContact CE2-CG 3.81Å; F322-W343 AromaticContact CE2-CH2 3.8Å; F322-W343 HydrophobicContact CE2-CH2 3.8Å; F322-W343 AromaticContact CE2-CZ2 3.65Å; F322-W343 HydrophobicContact CE2-CZ2 3.65Å; F322-W343 AromaticContact CE2-CZ3 3.67Å; F322-W343 HydrophobicContact CE2-CZ3 3.67Å; F322-W343 HydrophobicContact CZ-CB 3.63Å; F322-W343 AromaticContact CZ-CD2 3.19Å; F322-W343 HydrophobicContact CZ-CD2 3.19Å; F322-W343 AromaticContact CZ-CE2 3.85Å; F322-W343 AromaticContact CZ-CE3 3.27Å; F322-W343 HydrophobicContact CZ-CE3 3.27Å; F322-W343 AromaticContact CZ-CG 3.4Å; F322-W343 HydrophobicContact CZ-CG 3.4Å; F322-W343 HydrophobicContact CZ-CZ2 4.45Å; F322-W343 AromaticContact CZ-CZ3 3.96Å; F322-W343 HydrophobicContact CZ-CZ3 3.96Å; V333-W343 HydrophobicContact CG1-CH2 4.29Å; V333-W343 HydrophobicContact CG1-CZ3 4Å; V339-W343 HydrophobicContact CB-CZ2 4.49Å; V339-W343 HydrophobicContact CG1-CD2 3.66Å; V339-W343 HydrophobicContact CG1-CE3 3.95Å; V339-W343 HydrophobicContact CG1-CG 4.46Å; V339-W343 HydrophobicContact CG1-CH2 3.43Å; V339-W343 VanDerWaalsContact CG1-CH2 3.43Å; V339-W343 HydrophobicContact CG1-CZ2 3.08Å; V339-W343 HydrophobicContact CG1-CZ3 3.86Å; V339-W343 PolarHBondContact O-N 3.49Å; V340-W343 HydrophobicContact CB-CE3 4.41Å; V340-W343 HydrophobicContact CG2-CE3 3.83Å; V340-W343 HydrophobicContact CG2-CZ3 3.88Å; V340-W343 PolarHBondContact O-N 3.08Å; V340-W343 VanDerWaalsContact O-N 3.15Å; W343-K345 VanDerWaalsContact C-N 3.3Å; W343-K345 PolarHBondContact O-N 2.99Å; W343-T346 PolarHBondContact O-N 3.47Å; W343-T346 PolarHBondContact O-OG1 3.2Å; W343-N347 WeakPolarHBondContact O-CB 3.41Å; W343-N347 PolarHBondContact O-N 3.48Å; W343-N347 VanDerWaalsContact O-N 3.11Å; W343-N347 PolarHBondContact O-ND2 3.48Å
344L91.9Very high92.9Very high40 Ų4037.7 Ų37.721%0.20921%0.206CC..Hα-helixtrans-66.1-29.3-179.7-70.9175.7000112.8I274 V340 N341 E342 T346 N347 L350 V352I274-L344 HydrophobicContact CG2-CD2 4.33Å; V340-L344 HydrophobicContact CG1-CD1 3.95Å; V340-L344 HydrophobicContact CG1-CG 4.27Å; V340-L344 WeakPolarHBondContact O-CG 3.42Å; V340-L344 PolarHBondContact O-N 3.42Å; N341-L344 PolarHBondContact O-N 3.49Å; E342-L344 VanDerWaalsContact C-N 3.35Å; E342-L344 PolarHBondContact O-N 3.2Å; L344-T346 PolarHBondContact O-N 3.43Å; L344-N347 CarbonylContact O-C 3.17Å; L344-N347 PolarHBondContact O-N 2.91Å; L344-L350 HydrophobicContact CD2-CB 3.87Å; L344-L350 WeakPolarHBondContact CD2-O 3.4Å; L344-V352 HydrophobicContact CD1-CG2 4.28Å
345K91Very high92.6Very high134 Ų13442.4 Ų42.458%0.58323%0.228SC*.Hα-helixtrans-59.4-35.8175.4-68.2172.2-171168.40112.6N341 E342 W343N341-K345 WeakPolarHBondContact O-CG 3.32Å; N341-K345 PolarHBondContact O-N 3.42Å; E342-K345 PolarHBondContact O-N 2.83Å; E342-K345 WeakPolarHBondContact OE2-CD 3.28Å; E342-K345 WeakPolarHBondContact OE2-CE 3.5Å; E342-K345 IonicContact OE2-NZ 3.76Å; E342-K345 PolarHBondContact OE2-NZ 3.44Å; W343-K345 VanDerWaalsContact C-N 3.3Å; W343-K345 PolarHBondContact O-N 2.99Å
346T89.9Confident92.5Very high100 Ų10048.5 Ų48.561%0.61326%0.255SS*.Hα-helixtrans-102.3-3.5-177.658.30000113.5W343 L344W343-T346 PolarHBondContact O-N 3.47Å; W343-T346 PolarHBondContact O-OG1 3.2Å; L344-T346 PolarHBondContact O-N 3.43Å
347N91.7Very high92.4Very high10 Ų1048.8 Ų48.85%0.05326%0.257CS..  trans-134.370.4-178-60.9-85.9000111.2K326 W343 L344 Q349 L350K326-N347 WeakPolarHBondContact CE-OD1 3.48Å; K326-N347 PolarHBondContact NZ-OD1 3.25Å; W343-N347 WeakPolarHBondContact O-CB 3.41Å; W343-N347 PolarHBondContact O-N 3.48Å; W343-N347 VanDerWaalsContact O-N 3.11Å; W343-N347 PolarHBondContact O-ND2 3.48Å; L344-N347 CarbonylContact O-C 3.17Å; L344-N347 PolarHBondContact O-N 2.91Å; N347-Q349 VanDerWaalsContact CA-OE1 3.24Å; N347-Q349 PolarHBondContact O-N 2.93Å; N347-L350 HydrophobicContact CB-CB 4.43Å; N347-L350 HydrophobicContact CB-CD1 3.75Å; N347-L350 HydrophobicContact CB-CG 4.03Å; N347-L350 PolarHBondContact O-N 3.44Å
348P91.7Very high92.3Very high102 Ų10251.7 Ų51.766%0.66228%0.275SS*.THydrogen-bonded Turntrans-64.7-13.8-174.627.6-36.6000114.7L350P348-L350 VanDerWaalsContact C-N 3.29Å
349Q92.2Very high92.1Very high90 Ų9053.6 Ų53.642%0.42128%0.283SS..THydrogen-bonded Turntrans-78.3-12.2174.477.4-744.100113.7K277 N347K277-Q349 WeakPolarHBondContact CB-O 3.49Å; K277-Q349 PolarHBondContact N-O 3.2Å; N347-Q349 VanDerWaalsContact CA-OE1 3.24Å; N347-Q349 PolarHBondContact O-N 2.93Å
350L94.7Very high91.8Very high16 Ų1658.1 Ų58.18%0.08431%0.312CS..EExtended strand (participates in β ladder)trans-98.1159.9177.7-57.3-179.5000110.3I274 A275 F322 L325 L344 N347 P348I274-L350 HydrophobicContact CD1-CD1 3.96Å; A275-L350 CarbonylContact O-C 3.55Å; A275-L350 WeakPolarHBondContact O-CA 3.46Å; A275-L350 WeakPolarHBondContact O-CD2 3.29Å; F322-L350 HydrophobicContact CD1-CD1 4.31Å; F322-L350 HydrophobicContact CE1-CD1 3.75Å; L325-L350 HydrophobicContact CD2-CD1 3.8Å; L325-L350 HydrophobicContact CD2-CD2 3.94Å; L325-L350 HydrophobicContact CG-CD2 4.37Å; L344-L350 HydrophobicContact CD2-CB 3.87Å; L344-L350 WeakPolarHBondContact CD2-O 3.4Å; N347-L350 HydrophobicContact CB-CB 4.43Å; N347-L350 HydrophobicContact CB-CD1 3.75Å; N347-L350 HydrophobicContact CB-CG 4.03Å; N347-L350 PolarHBondContact O-N 3.44Å; P348-L350 VanDerWaalsContact C-N 3.29Å
351G94.4Very high91.5Very high12 Ų1263.5 Ų63.512%0.12434%0.337CS..EExtended strand (participates in β ladder)trans-156.5165175.100000111.2I274 A275 A353I274-G351 VanDerWaalsContact CA-O 3.29Å; I274-G351 WeakPolarHBondContact CA-O 3.35Å; A275-G351 PolarHBondContact N-O 3.3Å; A275-G351 PolarHBondContact O-N 3.3Å; G351-A353 PolarHBondContact O-N 3.25Å
352V95.7Very high91.3Very high74 Ų7460.5 Ų60.545%0.44832%0.32SS..EExtended strand (participates in β ladder)trans-62.8132.8174.51770000109.6V272 L344 T354V272-V352 HydrophobicContact CB-CG1 4.1Å; V272-V352 HydrophobicContact CG1-CG1 4.15Å; V272-V352 HydrophobicContact CG2-CG2 4.38Å; L344-V352 HydrophobicContact CD1-CG2 4.28Å; V352-T354 WeakPolarHBondContact CG1-O 3.3Å
353A95Very high90.9Very high2 Ų257.9 Ų57.92%0.01731%0.308CS..  trans-114.8-7.8-170.500000113.7V273 A275 Y280 K281 T282 G351V273-A353 HydrophobicContact CB-CB 4.32Å; V273-A353 HydrophobicContact CG1-CB 4.19Å; V273-A353 WeakPolarHBondContact O-CB 3.46Å; V273-A353 PolarHBondContact O-N 2.75Å; A275-A353 HydrophobicContact CB-CB 3.73Å; Y280-A353 CarbonylContact C-O 3.53Å; Y280-A353 WeakPolarHBondContact O-CA 3.16Å; K281-A353 CarbonylContact C-O 3.54Å; K281-A353 VanDerWaalsContact CA-O 3.27Å; K281-A353 WeakPolarHBondContact CA-O 3.37Å; K281-A353 PolarHBondContact N-O 3.32Å; T282-A353 PolarHBondContact N-O 3.27Å; G351-A353 PolarHBondContact O-N 3.25Å
354T94.2Very high89.9Confident7 Ų757.6 Ų57.64%0.04331%0.312CS..SBendtrans-142.7164-178.761.60000110.9V273 K281 F283 L286 V352V273-T354 HydrophobicContact CB-CG2 3.73Å; V273-T354 HydrophobicContact CG2-CG2 3.75Å; V273-T354 PolarHBondContact N-OG1 3.08Å; V273-T354 VanDerWaalsContact N-OG1 3.08Å; K281-T354 WeakPolarHBondContact O-CA 3.31Å; F283-T354 HydrophobicContact CD1-CG2 3.96Å; F283-T354 HydrophobicContact CD2-CG2 3.82Å; F283-T354 HydrophobicContact CE1-CG2 3.99Å; F283-T354 HydrophobicContact CE2-CG2 3.84Å; F283-T354 HydrophobicContact CG-CG2 3.88Å; F283-T354 HydrophobicContact CZ-CG2 3.92Å; L286-T354 HydrophobicContact CD1-CG2 3.61Å; L286-T354 HydrophobicContact CG-CG2 4.48Å; V352-T354 WeakPolarHBondContact CG1-O 3.3Å
355E91.3Very high89.4Confident100 Ų10060.2 Ų60.247%0.46733%0.329SS..PPolyproline II helixtrans-56.5158.716059.5-86.7-169.600112.7
356K92.1Very high89.4Confident127 Ų12753.9 Ų53.955%0.55230%0.302SS*.PPolyproline II helixtrans-72.7123.1177-173.2-179.9-178.2179.40110.2S270 V272 T358S270-K356 WeakPolarHBondContact OG-CE 3.48Å; S270-K356 PolarHBondContact OG-NZ 2.81Å; V272-K356 HydrophobicContact CG1-CB 4.12Å; V272-K356 HydrophobicContact CG1-CG 4.36Å; K356-T358 HydrophobicContact CG-CG2 4.36Å
357V92.3Very high89.6Confident9 Ų949.1 Ų49.16%0.05527%0.273CS..BIsolated β-bridgetrans-93.4129.3178-170.50000109.7S270 A271 F283 Y302 F334 D359 F363S270-V357 CarbonylContact C-O 3.46Å; S270-V357 WeakPolarHBondContact CA-O 3.47Å; A271-V357 PolarHBondContact N-O 2.85Å; A271-V357 PolarHBondContact O-N 3.36Å; F283-V357 HydrophobicContact CE2-CG2 3.51Å; F283-V357 HydrophobicContact CZ-CG2 3.67Å; Y302-V357 HydrophobicContact CD2-CG1 4.08Å; Y302-V357 HydrophobicContact CE1-CG1 4.06Å; Y302-V357 HydrophobicContact CE1-CG2 4.01Å; Y302-V357 HydrophobicContact CE2-CG1 3.53Å; F334-V357 HydrophobicContact CE2-CG2 4.45Å; F334-V357 HydrophobicContact CZ-CB 4.48Å; F334-V357 HydrophobicContact CZ-CG2 4.16Å; V357-D359 HydrophobicContact CG1-CB 4.38Å; V357-F363 HydrophobicContact CB-CE2 4.03Å; V357-F363 HydrophobicContact CG1-CD2 3.88Å; V357-F363 HydrophobicContact CG1-CE2 3.36Å; V357-F363 HydrophobicContact CG1-CZ 4.25Å
358T90.1Very high89.8Confident87 Ų8748.6 Ų48.653%0.53427%0.27SS..  trans-135.619-179.550.30000112K356 P360K356-T358 HydrophobicContact CG-CG2 4.36Å; T358-P360 WeakPolarHBondContact O-CD 3.47Å; T358-P360 VanDerWaalsContact O-N 3.11Å
359D88.8Confident90.1Very high52 Ų5243.8 Ų43.828%0.27824%0.239SC..  trans-58114.7-176.1-172.9-24.5000111.1Y302 V357 Q361 Y362 F363Y302-D359 HydrophobicContact CE2-CB 4.36Å; V357-D359 HydrophobicContact CG1-CB 4.38Å; D359-Q361 PolarHBondContact O-N 3.1Å; D359-Q361 VanDerWaalsContact O-N 3.11Å; D359-Q361 VanDerWaalsContact OD1-CB 3.24Å; D359-Q361 WeakPolarHBondContact OD1-CB 3.31Å; D359-Q361 PolarHBondContact OD1-N 3.36Å; D359-Y362 HydrophobicContact CB-CD2 4.02Å; D359-Y362 PolarHBondContact O-N 2.79Å; D359-Y362 WeakPolarHBondContact OD2-CD2 3.26Å; D359-Y362 WeakPolarHBondContact OD2-CE2 3.39Å; D359-F363 PolarHBondContact O-N 3.33Å
360P84.3Confident90.4Very high94 Ų9439.5 Ų39.561%0.6122%0.219SC*.THydrogen-bonded Turntrans-61.9-19.8-178.3-22.834000114T358 Y362 G364T358-P360 WeakPolarHBondContact O-CD 3.47Å; T358-P360 VanDerWaalsContact O-N 3.11Å; P360-Y362 VanDerWaalsContact C-N 3.28Å; P360-Y362 PolarHBondContact O-N 2.84Å; P360-G364 WeakPolarHBondContact O-CA 3.16Å; P360-G364 PolarHBondContact O-N 2.92Å; P360-G364 VanDerWaalsContact O-N 3.14Å
361Q86.2Confident90.6Very high113 Ų11338.8 Ų38.853%0.52822%0.215SC..THydrogen-bonded Turntrans-69.2-28.5177-177.457.847.100112.2D359D359-Q361 PolarHBondContact O-N 3.1Å; D359-Q361 VanDerWaalsContact O-N 3.11Å; D359-Q361 VanDerWaalsContact OD1-CB 3.24Å; D359-Q361 WeakPolarHBondContact OD1-CB 3.31Å; D359-Q361 PolarHBondContact OD1-N 3.36Å
362Y86.7Confident90.7Very high21 Ų2138.9 Ų38.98%0.08221%0.212CC..THydrogen-bonded Turntrans-111.6-46.3-175.8-59.3-92000112.3T253 T298 K301 Y302 D305 Q306 D359 P360T253-Y362 WeakPolarHBondContact CG2-O 3.42Å; T298-Y362 WeakPolarHBondContact CB-O 3.41Å; T298-Y362 WeakPolarHBondContact CG2-O 3.24Å; K301-Y362 HydrophobicContact CB-CD1 4.49Å; K301-Y362 HydrophobicContact CG-CD1 4.22Å; K301-Y362 HydrophobicContact CG-CE1 4.07Å; Y302-Y362 HydrophobicContact CD2-CD1 4.33Å; Y302-Y362 AromaticContact CD2-CD2 3.67Å; Y302-Y362 HydrophobicContact CD2-CD2 3.67Å; Y302-Y362 AromaticContact CD2-CE2 4Å; Y302-Y362 HydrophobicContact CD2-CE2 4Å; Y302-Y362 AromaticContact CD2-CG 3.85Å; Y302-Y362 HydrophobicContact CD2-CG 3.85Å; Y302-Y362 HydrophobicContact CE2-CD2 4.36Å; D305-Y362 HydrophobicContact CB-CE1 4Å; D305-Y362 WeakPolarHBondContact CB-OH 3.34Å; Q306-Y362 HydrophobicContact CG-CE2 3.99Å; Q306-Y362 PolarHBondContact NE2-OH 3.39Å; D359-Y362 HydrophobicContact CB-CD2 4.02Å; D359-Y362 PolarHBondContact O-N 2.79Å; D359-Y362 WeakPolarHBondContact OD2-CD2 3.26Å; D359-Y362 WeakPolarHBondContact OD2-CE2 3.39Å; P360-Y362 VanDerWaalsContact C-N 3.28Å; P360-Y362 PolarHBondContact O-N 2.84Å
363F84.3Confident90.7Very high3 Ų338.4 Ų38.41%0.01321%0.21CC..THydrogen-bonded Turntrans-950.3-178.8-57.9-80.9000112.2A271 H299 Y302 F334 V357 D359 G366A271-F363 HydrophobicContact CB-CD1 4.08Å; A271-F363 HydrophobicContact CB-CE1 3.34Å; A271-F363 HydrophobicContact CB-CE2 4.49Å; A271-F363 HydrophobicContact CB-CZ 3.59Å; H299-F363 AromaticContact CD2-CE1 3.85Å; H299-F363 AromaticContact NE2-CE1 3.78Å; Y302-F363 HydrophobicContact CD2-CE2 4.08Å; Y302-F363 HydrophobicContact CG-CE2 4.19Å; F334-F363 HydrophobicContact CE1-CZ 4.21Å; F334-F363 AromaticContact CZ-CZ 3.84Å; F334-F363 HydrophobicContact CZ-CZ 3.84Å; V357-F363 HydrophobicContact CB-CE2 4.03Å; V357-F363 HydrophobicContact CG1-CD2 3.88Å; V357-F363 HydrophobicContact CG1-CE2 3.36Å; V357-F363 HydrophobicContact CG1-CZ 4.25Å; D359-F363 PolarHBondContact O-N 3.33Å; F363-G366 PolarHBondContact O-N 3.31Å
364G69.6Low90.6Very high16 Ų1643 Ų4317%0.16523%0.234CC..THydrogen-bonded Turntrans66.2-152.8167.700000113.8I252 P360I252-G364 VanDerWaalsContact O-CA 3.23Å; I252-G364 WeakPolarHBondContact O-CA 3.37Å; P360-G364 WeakPolarHBondContact O-CA 3.16Å; P360-G364 PolarHBondContact O-N 2.92Å; P360-G364 VanDerWaalsContact O-N 3.14Å
365T80.9Confident90.6Very high95 Ų9544.4 Ų44.458%0.58324%0.242SC*.THydrogen-bonded Turntrans-89.816.1167.859.40000111.9P265P265-T365 VanDerWaalsContact CB-O 3.23Å; P265-T365 WeakPolarHBondContact CB-O 3.44Å; P265-T365 WeakPolarHBondContact CG-O 3.43Å
366G90.8Very high90.7Very high1 Ų147.1 Ų47.11%0.0125%0.252CS..SBendtrans109.5-167.2-172.600000114.7I252 Y267 F363I252-G366 WeakPolarHBondContact CG1-O 3.36Å; I252-G366 PolarHBondContact N-O 3.07Å; Y267-G366 CarbonylContact O-C 3.57Å; Y267-G366 WeakPolarHBondContact O-CA 3.47Å; F363-G366 PolarHBondContact O-N 3.31Å
367L95.1Very high90.7Very high0 Ų044 Ų440%025%0.25CS..BIsolated β-bridgetrans-86.1137.9-175.2-47.8-177.9000111F196 G249 M250 P265 Y266 Y267 N269F196-L367 HydrophobicContact CD1-CD1 4.19Å; F196-L367 HydrophobicContact CE1-CD1 3.5Å; F196-L367 VanDerWaalsContact CE1-CD1 3.5Å; F196-L367 HydrophobicContact CE2-CD1 4.37Å; F196-L367 HydrophobicContact CZ-CD1 3.61Å; G249-L367 VanDerWaalsContact O-CD2 3.3Å; G249-L367 WeakPolarHBondContact O-CD2 3.4Å; M250-L367 WeakPolarHBondContact O-CA 3.27Å; P265-L367 CarbonylContact C-O 3.59Å; P265-L367 VanDerWaalsContact CA-O 3.23Å; P265-L367 WeakPolarHBondContact CA-O 3.46Å; Y266-L367 VanDerWaalsContact CD1-O 3.24Å; Y266-L367 WeakPolarHBondContact CD1-O 3.46Å; Y266-L367 HydrophobicContact CD2-CB 4.37Å; Y266-L367 HydrophobicContact CE1-CB 3.96Å; Y266-L367 HydrophobicContact CE2-CB 3.8Å; Y266-L367 HydrophobicContact CE2-CD1 4.31Å; Y266-L367 PolarHBondContact N-O 3.28Å; Y267-L367 HydrophobicContact CD1-CD1 3.66Å; Y267-L367 HydrophobicContact CD1-CG 4.11Å; Y267-L367 HydrophobicContact CG-CD1 4.1Å; Y267-L367 PolarHBondContact O-N 3.11Å; N269-L367 HydrophobicContact CB-CD2 3.67Å; N269-L367 HydrophobicContact CB-CG 4Å; N269-L367 WeakPolarHBondContact ND2-CD2 3.28Å
368G96.1Very high90.7Very high0 Ų043.9 Ų43.90%025%0.249CC..  trans-137.9154.9-17800000113.4M250M250-G368 PolarHBondContact O-N 3.25Å
369I98.2Very high91.1Very high1 Ų141.2 Ų41.21%0.00523%0.231CC..  trans-84.6122.6173.5-55.3173.8000107.8F187 L216 A245 V246 I247 F262 T263 Y266 L382F187-I369 HydrophobicContact CE1-CG2 4.1Å; L216-I369 HydrophobicContact CD1-CD1 3.42Å; L216-I369 VanDerWaalsContact CD1-CD1 3.42Å; A245-I369 HydrophobicContact CB-CG2 3.88Å; V246-I369 CarbonylContact O-C 2.91Å; V246-I369 VanDerWaalsContact O-CA 3.27Å; V246-I369 WeakPolarHBondContact O-CA 3.33Å; V246-I369 WeakPolarHBondContact O-CG2 3.27Å; I247-I369 HydrophobicContact CB-CG1 4.17Å; I247-I369 HydrophobicContact CB-CG2 4.49Å; I247-I369 HydrophobicContact CD1-CD1 3.87Å; I247-I369 HydrophobicContact CD1-CG1 3.89Å; I247-I369 HydrophobicContact CG1-CD1 4.44Å; I247-I369 HydrophobicContact CG1-CG1 3.93Å; F262-I369 CarbonylContact C-O 3.58Å; F262-I369 WeakPolarHBondContact CA-O 3.5Å; T263-I369 HydrophobicContact CG2-CB 3.76Å; T263-I369 HydrophobicContact CG2-CD1 4.49Å; T263-I369 HydrophobicContact CG2-CG1 4.46Å; T263-I369 PolarHBondContact N-O 3.31Å; T263-I369 PolarHBondContact OG1-N 2.92Å; Y266-I369 HydrophobicContact CD1-CG1 4.04Å; Y266-I369 HydrophobicContact CE1-CG1 4Å; I369-L382 HydrophobicContact CD1-CD2 4.38Å; I369-L382 HydrophobicContact CG2-CD1 3.95Å
370A98.1Very high91.4Very high0 Ų044.7 Ų44.70%025%0.246CC..EExtended strand (participates in β ladder)trans-90136.1177.600000111.6L238 A245 V246 M250 V260 S261 F262L238-A370 HydrophobicContact CD2-CB 3.97Å; A245-A370 CarbonylContact C-O 3.46Å; A245-A370 WeakPolarHBondContact CA-O 3.36Å; V246-A370 HydrophobicContact CB-CB 4.22Å; V246-A370 PolarHBondContact N-O 2.9Å; V246-A370 PolarHBondContact O-N 3.28Å; M250-A370 HydrophobicContact SD-CB 4.32Å; V260-A370 HydrophobicContact CB-CB 4.14Å; V260-A370 HydrophobicContact CG2-CB 3.81Å; S261-A370 CarbonylContact O-C 3.56Å; S261-A370 WeakPolarHBondContact O-CA 3.23Å; F262-A370 HydrophobicContact CD1-CB 3.96Å; F262-A370 HydrophobicContact CE1-CB 3.64Å; F262-A370 HydrophobicContact CZ-CB 4.09Å
371V98.1Very high91.8Very high0 Ų043.5 Ų43.50%023%0.231CC..EExtended strand (participates in β ladder)trans-129.2163.6169.8-58.80000110.3A245 V260 S261 L378 L379 L382A245-V371 HydrophobicContact CB-CG1 3.89Å; V260-V371 WeakPolarHBondContact CB-O 2.86Å; S261-V371 PolarHBondContact N-O 2.81Å; S261-V371 PolarHBondContact O-N 2.8Å; V371-L378 HydrophobicContact CG1-CD2 3.92Å; V371-L378 HydrophobicContact CG1-CG 4.13Å; V371-L379 HydrophobicContact CG2-CB 3.81Å; V371-L379 HydrophobicContact CG2-CD1 3.98Å; V371-L379 HydrophobicContact CG2-CG 4.36Å; V371-L382 HydrophobicContact CG1-CD1 3.71Å
372R97.7Very high92.3Very high15 Ų1538.1 Ų38.16%0.05721%0.206CC..  trans-63.1143.2174.9-62.5176-72.8-82.50.1110.6L238 Y243 D244 D374 N375L238-R372 HydrophobicContact CD1-CG 4.07Å; L238-R372 HydrophobicContact CG-CG 4.02Å; L238-R372 WeakPolarHBondContact O-CD 3.5Å; L238-R372 WeakPolarHBondContact O-CG 3.28Å; L238-R372 PolarHBondContact O-NH1 2.87Å; Y243-R372 PolarHBondContact O-NH1 2.99Å; D244-R372 IonicContact OD1-NH2 3.89Å; D244-R372 PolarHBondContact OD1-NH2 3.38Å; R372-D374 WeakPolarHBondContact CB-OD1 3.32Å; R372-D374 IonicContact NE-OD1 2.72Å; R372-D374 PolarHBondContact O-N 3.07Å; R372-D374 VanDerWaalsContact O-N 3.14Å; R372-N375 HydrophobicContact CB-CB 4.39Å; R372-N375 PolarHBondContact O-N 2.81Å
373P95.1Very high92.9Very high63 Ų6339 Ų3941%0.40921%0.212SC..THydrogen-bonded Turntrans-60.8-25.1-178.3-25.135000115.2Q259Q259-P373 WeakPolarHBondContact O-CG 3.41Å
374D92.6Very high93.5Very high98 Ų9843.6 Ų43.652%0.52424%0.237SC..THydrogen-bonded Turntrans-78.9-18.2175.565.5-30.5000112.8R241 R372 K376R241-D374 IonicContact CZ-OD2 3.19Å; R241-D374 IonicContact NH1-OD2 2.72Å; R241-D374 IonicContact NH2-OD2 3.33Å; R241-D374 PolarHBondContact NH2-OD2 2.76Å; R372-D374 WeakPolarHBondContact CB-OD1 3.32Å; R372-D374 IonicContact NE-OD1 2.72Å; R372-D374 PolarHBondContact O-N 3.07Å; R372-D374 VanDerWaalsContact O-N 3.14Å; D374-K376 VanDerWaalsContact C-N 3.3Å; D374-K376 PolarHBondContact O-N 3.12Å; D374-K376 VanDerWaalsContact O-N 3.13Å
375N94.3Very high94.7Very high38 Ų3843 Ų4320%0.20323%0.23CC..  trans-90.556.6-178-160.9-3.3000112.7R372 A377 L378 L379R372-N375 HydrophobicContact CB-CB 4.39Å; R372-N375 PolarHBondContact O-N 2.81Å; N375-A377 VanDerWaalsContact C-N 3.27Å; N375-A377 PolarHBondContact O-N 3.31Å; N375-L378 HydrophobicContact CB-CB 4.49Å; N375-L378 VanDerWaalsContact CG-CB 3.43Å; N375-L378 WeakPolarHBondContact ND2-CB 3.49Å; N375-L378 WeakPolarHBondContact ND2-CD2 3.26Å; N375-L378 PolarHBondContact O-N 3.08Å; N375-L378 VanDerWaalsContact OD1-CB 3.23Å; N375-L378 WeakPolarHBondContact OD1-CB 3.26Å; N375-L378 PolarHBondContact OD1-N 2.9Å; N375-L379 PolarHBondContact O-N 3.2Å
376K93.3Very high95.4Very high157 Ų15738.6 Ų38.668%0.68320%0.203SC*.Hα-helixtrans-61.9-33.7-179.9-63.4-176-179.3-178.90113D374 L379 E380D374-K376 VanDerWaalsContact C-N 3.3Å; D374-K376 PolarHBondContact O-N 3.12Å; D374-K376 VanDerWaalsContact O-N 3.13Å; K376-L379 WeakPolarHBondContact O-CB 3.36Å; K376-L379 PolarHBondContact O-N 2.86Å; K376-E380 WeakPolarHBondContact O-CB 3.41Å; K376-E380 PolarHBondContact O-N 3.13Å
377A91.3Very high95.7Very high62 Ų6241.3 Ų41.351%0.51223%0.226SC..Hα-helixtrans-63.2-45.4178.900000111.9N375 E380 K381N375-A377 VanDerWaalsContact C-N 3.27Å; N375-A377 PolarHBondContact O-N 3.31Å; A377-E380 PolarHBondContact O-N 3.42Å; A377-K381 WeakPolarHBondContact O-CG 3.39Å; A377-K381 PolarHBondContact O-N 2.69Å
378L93.9Very high95.7Very high5 Ų542.8 Ų42.83%0.02624%0.237CC..Hα-helixtrans-66.2-40.5175.5-179.160.1000111.5I185 D244 A245 V371 N375 E380 K381 L382I185-L378 HydrophobicContact CD1-CD1 3.87Å; I185-L378 HydrophobicContact CG1-CD1 4.33Å; I185-L378 HydrophobicContact CG2-CD1 4.33Å; I185-L378 HydrophobicContact CG2-CD2 4.49Å; D244-L378 HydrophobicContact CB-CD2 3.85Å; A245-L378 HydrophobicContact CB-CD2 4.38Å; V371-L378 HydrophobicContact CG1-CD2 3.92Å; V371-L378 HydrophobicContact CG1-CG 4.13Å; N375-L378 HydrophobicContact CB-CB 4.49Å; N375-L378 VanDerWaalsContact CG-CB 3.43Å; N375-L378 WeakPolarHBondContact ND2-CB 3.49Å; N375-L378 WeakPolarHBondContact ND2-CD2 3.26Å; N375-L378 PolarHBondContact O-N 3.08Å; N375-L378 VanDerWaalsContact OD1-CB 3.23Å; N375-L378 WeakPolarHBondContact OD1-CB 3.26Å; N375-L378 PolarHBondContact OD1-N 2.9Å; L378-E380 VanDerWaalsContact C-N 3.34Å; L378-E380 PolarHBondContact O-N 3.27Å; L378-K381 PolarHBondContact O-N 2.86Å; L378-L382 HydrophobicContact CD1-CD1 4.15Å; L378-L382 HydrophobicContact CD1-CG 4.09Å; L378-L382 HydrophobicContact CG-CD1 3.88Å; L378-L382 HydrophobicContact CG-CG 4.3Å; L378-L382 WeakPolarHBondContact O-CB 3.41Å; L378-L382 VanDerWaalsContact O-CG 3.29Å; L378-L382 WeakPolarHBondContact O-CG 3.2Å; L378-L382 PolarHBondContact O-N 3.5Å
379L96.8Very high95.7Very high31 Ų3142.9 Ų42.916%0.16224%0.238CC..Hα-helixtrans-57.3-47.7176.6-177.260.7000111.9F262 T263 V371 N375 K376 L382 N383F262-L379 WeakPolarHBondContact O-CD1 3.41Å; T263-L379 HydrophobicContact CG2-CD1 4.01Å; V371-L379 HydrophobicContact CG2-CB 3.81Å; V371-L379 HydrophobicContact CG2-CD1 3.98Å; V371-L379 HydrophobicContact CG2-CG 4.36Å; N375-L379 PolarHBondContact O-N 3.2Å; K376-L379 WeakPolarHBondContact O-CB 3.36Å; K376-L379 PolarHBondContact O-N 2.86Å; L379-L382 PolarHBondContact O-N 3.47Å; L379-N383 WeakPolarHBondContact O-CB 3.48Å; L379-N383 PolarHBondContact O-N 2.97Å; L379-N383 PolarHBondContact O-ND2 2.99Å
380E95.5Very high95.5Very high125 Ų12546.9 Ų46.958%0.58426%0.255SS*.Hα-helixtrans-64.7-44.7179.8-172.217717600111.3K376 A377 L378 L382 N383 N384K376-E380 WeakPolarHBondContact O-CB 3.41Å; K376-E380 PolarHBondContact O-N 3.13Å; A377-E380 PolarHBondContact O-N 3.42Å; L378-E380 VanDerWaalsContact C-N 3.34Å; L378-E380 PolarHBondContact O-N 3.27Å; E380-L382 PolarHBondContact O-N 2.94Å; E380-N383 PolarHBondContact O-N 3.32Å; E380-N384 WeakPolarHBondContact O-CB 2.99Å; E380-N384 VanDerWaalsContact O-CG 3.26Å; E380-N384 PolarHBondContact O-N 3.34Å; E380-N384 PolarHBondContact O-ND2 2.79Å
381K93.7Very high95.4Very high70 Ų7051.2 Ų51.230%0.30429%0.292SS..Hα-helixtrans-58-46.8174.3-74.8177.4175.1179.70112.2E183 M220 A377 L378 N384 A385E183-K381 IonicContact OE1-NZ 3.78Å; E183-K381 IonicContact OE2-NZ 2.6Å; E183-K381 PolarHBondContact OE2-NZ 3.24Å; M220-K381 HydrophobicContact SD-CB 3.71Å; A377-K381 WeakPolarHBondContact O-CG 3.39Å; A377-K381 PolarHBondContact O-N 2.69Å; L378-K381 PolarHBondContact O-N 2.86Å; K381-N384 PolarHBondContact O-N 3.06Å; K381-A385 VanDerWaalsContact O-CB 3.25Å; K381-A385 WeakPolarHBondContact O-CB 3.29Å; K381-A385 PolarHBondContact O-N 2.87Å
382L97.1Very high95.2Very high0 Ų055.5 Ų55.50%031%0.314CS..Hα-helixtrans-63.7-42.5178.3-73.1168.7000112F187 L216 M220 A245 T263 I369 V371 L378 L379 E380 A385 L386F187-L382 HydrophobicContact CZ-CD2 4.18Å; L216-L382 HydrophobicContact CD1-CD2 4.29Å; M220-L382 HydrophobicContact CE-CD2 3.71Å; M220-L382 HydrophobicContact SD-CD2 4.16Å; M220-L382 HydrophobicContact SD-CG 4.47Å; A245-L382 HydrophobicContact CB-CD1 4.43Å; T263-L382 HydrophobicContact CG2-CB 3.69Å; T263-L382 HydrophobicContact CG2-CD1 4.2Å; I369-L382 HydrophobicContact CD1-CD2 4.38Å; I369-L382 HydrophobicContact CG2-CD1 3.95Å; V371-L382 HydrophobicContact CG1-CD1 3.71Å; L378-L382 HydrophobicContact CD1-CD1 4.15Å; L378-L382 HydrophobicContact CD1-CG 4.09Å; L378-L382 HydrophobicContact CG-CD1 3.88Å; L378-L382 HydrophobicContact CG-CG 4.3Å; L378-L382 WeakPolarHBondContact O-CB 3.41Å; L378-L382 VanDerWaalsContact O-CG 3.29Å; L378-L382 WeakPolarHBondContact O-CG 3.2Å; L378-L382 PolarHBondContact O-N 3.5Å; L379-L382 PolarHBondContact O-N 3.47Å; E380-L382 PolarHBondContact O-N 2.94Å; L382-A385 PolarHBondContact O-N 2.83Å; L382-L386 VanDerWaalsContact O-CB 3.23Å; L382-L386 WeakPolarHBondContact O-CB 3.5Å; L382-L386 PolarHBondContact O-N 3.32Å
383N98Very high95Very high38 Ų3856.4 Ų56.420%0.20333%0.328CS..Hα-helixtrans-64.3-44.6176.7-81.4-36.8000112.1T263 T264 L379 E380 L386 A387T263-N383 VanDerWaalsContact CA-OD1 3.25Å; T263-N383 WeakPolarHBondContact CA-OD1 3.34Å; T263-N383 VanDerWaalsContact CB-OD1 3.31Å; T263-N383 WeakPolarHBondContact CB-OD1 3.27Å; T264-N383 PolarHBondContact N-OD1 2.99Å; L379-N383 WeakPolarHBondContact O-CB 3.48Å; L379-N383 PolarHBondContact O-N 2.97Å; L379-N383 PolarHBondContact O-ND2 2.99Å; E380-N383 PolarHBondContact O-N 3.32Å; N383-L386 PolarHBondContact O-N 3.38Å; N383-A387 WeakPolarHBondContact O-CB 3.29Å; N383-A387 PolarHBondContact O-N 2.89Å
384N96.5Very high95.1Very high101 Ų10155.9 Ų55.954%0.5432%0.324SS..Hα-helixtrans-65-42.3177.6-71.9-20.7000111.3E380 K381 A387 A388E380-N384 WeakPolarHBondContact O-CB 2.99Å; E380-N384 VanDerWaalsContact O-CG 3.26Å; E380-N384 PolarHBondContact O-N 3.34Å; E380-N384 PolarHBondContact O-ND2 2.79Å; K381-N384 PolarHBondContact O-N 3.06Å; N384-A387 PolarHBondContact O-N 3.44Å; N384-A388 WeakPolarHBondContact O-CB 3.47Å; N384-A388 PolarHBondContact O-N 3.21Å
385A95.1Very high95.2Very high4 Ų452.9 Ų52.93%0.03331%0.306CS..Hα-helixtrans-63.2-44.117500000111.5L216 Q219 M220 K381 L382 A387 A388 I389L216-A385 HydrophobicContact CD2-CB 3.74Å; Q219-A385 HydrophobicContact CB-CB 4.23Å; Q219-A385 HydrophobicContact CG-CB 4.08Å; M220-A385 HydrophobicContact CG-CB 3.65Å; M220-A385 HydrophobicContact SD-CB 4.14Å; K381-A385 VanDerWaalsContact O-CB 3.25Å; K381-A385 WeakPolarHBondContact O-CB 3.29Å; K381-A385 PolarHBondContact O-N 2.87Å; L382-A385 PolarHBondContact O-N 2.83Å; A385-A387 PolarHBondContact O-N 3.32Å; A385-A388 PolarHBondContact O-N 3.25Å; A385-I389 WeakPolarHBondContact O-CG1 3.5Å; A385-I389 WeakPolarHBondContact O-CG2 3.4Å; A385-I389 PolarHBondContact O-N 3.18Å
386L97.3Very high95.3Very high1 Ų155.6 Ų55.61%0.00532%0.317CS..Hα-helixtrans-62.1-42.8177.8-175.359.3000111.6L212 L216 T264 L382 N383 I389 K390L212-L386 HydrophobicContact CD1-CD1 4.23Å; L216-L386 HydrophobicContact CD2-CB 3.91Å; L216-L386 HydrophobicContact CD2-CD1 4.3Å; L216-L386 VanDerWaalsContact CD2-N 3.32Å; T264-L386 WeakPolarHBondContact O-CD2 2.99Å; L382-L386 VanDerWaalsContact O-CB 3.23Å; L382-L386 WeakPolarHBondContact O-CB 3.5Å; L382-L386 PolarHBondContact O-N 3.32Å; N383-L386 PolarHBondContact O-N 3.38Å; L386-I389 HydrophobicContact CD1-CD1 4.2Å; L386-I389 HydrophobicContact CD1-CG1 4.38Å; L386-I389 WeakPolarHBondContact O-CG1 3.2Å; L386-K390 HydrophobicContact CD1-CD 4.46Å; L386-K390 HydrophobicContact CG-CD 4.38Å; L386-K390 WeakPolarHBondContact O-CB 3.36Å; L386-K390 VanDerWaalsContact O-CG 3.27Å; L386-K390 WeakPolarHBondContact O-CG 3.49Å; L386-K390 PolarHBondContact O-N 3.22Å; L386-K390 VanDerWaalsContact O-N 3.08Å
387A96.9Very high95.4Very high59 Ų5955.5 Ų55.549%0.48832%0.317SS..Hα-helixtrans-62.4-42.8174.400000111.9N383 N384 A385 K390 A391N383-A387 WeakPolarHBondContact O-CB 3.29Å; N383-A387 PolarHBondContact O-N 2.89Å; N384-A387 PolarHBondContact O-N 3.44Å; A385-A387 PolarHBondContact O-N 3.32Å; A387-K390 PolarHBondContact O-N 3.03Å; A387-A391 WeakPolarHBondContact O-CB 3.37Å; A387-A391 PolarHBondContact O-N 2.91Å
388A94.4Very high95.6Very high30 Ų3053.3 Ų53.325%0.24830%0.296CS..Hα-helixtrans-64.5-47.7179.500000112.6Q219 N384 A385 K390 A391 D392Q219-A388 HydrophobicContact CG-CB 4.11Å; N384-A388 WeakPolarHBondContact O-CB 3.47Å; N384-A388 PolarHBondContact O-N 3.21Å; A385-A388 PolarHBondContact O-N 3.25Å; A388-K390 VanDerWaalsContact C-N 3.27Å; A388-K390 PolarHBondContact O-N 2.82Å; A388-A391 PolarHBondContact O-N 3.46Å; A388-A391 VanDerWaalsContact O-N 3.13Å; A388-D392 PolarHBondContact O-N 3.12Å
389I95.5Very high95.6Very high2 Ų253.9 Ų53.91%0.0130%0.301CS..Hα-helixtrans-71.1-22.8179.967.7168.7000113L212 A215 L216 Q219 A385 L386 D392 T394 Y395L212-I389 HydrophobicContact CD1-CD1 3.5Å; A215-I389 HydrophobicContact CB-CD1 4.4Å; L216-I389 HydrophobicContact CD2-CD1 3.55Å; L216-I389 HydrophobicContact CD2-CG1 4.18Å; L216-I389 HydrophobicContact CG-CD1 4.02Å; Q219-I389 HydrophobicContact CB-CG2 4.04Å; Q219-I389 HydrophobicContact CG-CG2 4.21Å; A385-I389 WeakPolarHBondContact O-CG1 3.5Å; A385-I389 WeakPolarHBondContact O-CG2 3.4Å; A385-I389 PolarHBondContact O-N 3.18Å; L386-I389 HydrophobicContact CD1-CD1 4.2Å; L386-I389 HydrophobicContact CD1-CG1 4.38Å; L386-I389 WeakPolarHBondContact O-CG1 3.2Å; I389-D392 WeakPolarHBondContact CA-OD1 3.15Å; I389-T394 HydrophobicContact CB-CG2 4.4Å; I389-T394 PolarHBondContact O-N 3.4Å; I389-T394 VanDerWaalsContact O-N 3.16Å; I389-Y395 WeakPolarHBondContact O-CB 3.48Å; I389-Y395 PolarHBondContact O-N 2.77Å
390K95.5Very high95.5Very high85 Ų8556.4 Ų56.437%0.3731%0.314SS..Hα-helixtrans-72.2-41.8169.3-77.6-179.2178.6-175.50110.7P265 L386 A387 A388 Y395P265-K390 PolarHBondContact O-NZ 2.87Å; L386-K390 HydrophobicContact CD1-CD 4.46Å; L386-K390 HydrophobicContact CG-CD 4.38Å; L386-K390 WeakPolarHBondContact O-CB 3.36Å; L386-K390 VanDerWaalsContact O-CG 3.27Å; L386-K390 WeakPolarHBondContact O-CG 3.49Å; L386-K390 PolarHBondContact O-N 3.22Å; L386-K390 VanDerWaalsContact O-N 3.08Å; A387-K390 PolarHBondContact O-N 3.03Å; A388-K390 VanDerWaalsContact C-N 3.27Å; A388-K390 PolarHBondContact O-N 2.82Å; K390-Y395 HydrophobicContact CG-CD1 4.22Å; K390-Y395 HydrophobicContact CG-CD2 4.24Å; K390-Y395 HydrophobicContact CG-CG 3.81Å
391A94.6Very high95.4Very high92 Ų9256 Ų5676%0.7631%0.312SS*.Hα-helixtrans-70.7-33.2-179.500000113.6A387 A388A387-A391 WeakPolarHBondContact O-CB 3.37Å; A387-A391 PolarHBondContact O-N 2.91Å; A388-A391 PolarHBondContact O-N 3.46Å; A388-A391 VanDerWaalsContact O-N 3.13Å
392D93.5Very high95.4Very high90 Ų9055.5 Ų55.548%0.48131%0.309SS..THydrogen-bonded Turntrans-87.5-3.2-178.875.610.3000114.5A388 I389 T394A388-D392 PolarHBondContact O-N 3.12Å; I389-D392 WeakPolarHBondContact CA-OD1 3.15Å; D392-T394 VanDerWaalsContact C-N 3.34Å; D392-T394 VanDerWaalsContact CG-OG1 3.31Å; D392-T394 WeakPolarHBondContact OD1-CB 3.5Å; D392-T394 PolarHBondContact OD1-N 2.8Å; D392-T394 PolarHBondContact OD1-OG1 3.07Å; D392-T394 PolarHBondContact OD2-OG1 2.85Å
393G94.7Very high95.1Very high34 Ų3457.3 Ų57.335%0.35132%0.316SS..SBendtrans84.5-2179.800000115.2Y395 Q396 K397G393-Y395 VanDerWaalsContact C-N 3.32Å; G393-Y395 PolarHBondContact O-N 2.81Å; G393-Q396 PolarHBondContact O-N 3.45Å; G393-K397 PolarHBondContact O-N 3.29Å; G393-K397 VanDerWaalsContact O-N 3.08Å
394T96Very high94.2Very high52 Ų5259.6 Ų59.632%0.31933%0.334SS..Hα-helixtrans-60.4-42.2176.9-61.40000111.5A215 I389 D392 Q396 K397 I398A215-T394 HydrophobicContact CB-CG2 4.05Å; I389-T394 HydrophobicContact CB-CG2 4.4Å; I389-T394 PolarHBondContact O-N 3.4Å; I389-T394 VanDerWaalsContact O-N 3.16Å; D392-T394 VanDerWaalsContact C-N 3.34Å; D392-T394 VanDerWaalsContact CG-OG1 3.31Å; D392-T394 WeakPolarHBondContact OD1-CB 3.5Å; D392-T394 PolarHBondContact OD1-N 2.8Å; D392-T394 PolarHBondContact OD1-OG1 3.07Å; D392-T394 PolarHBondContact OD2-OG1 2.85Å; T394-Q396 PolarHBondContact O-N 3.38Å; T394-K397 PolarHBondContact O-N 3.31Å; T394-I398 HydrophobicContact CG2-CD1 4.01Å; T394-I398 WeakPolarHBondContact O-CG1 3.27Å; T394-I398 PolarHBondContact O-N 2.74Å; T394-I398 VanDerWaalsContact O-N 3.09Å
395Y96.3Very high92.5Very high35 Ų3567.2 Ų67.214%0.13737%0.366CS..Hα-helixtrans-57.5-48.1175.1171.4-90.9000111.5F208 L212 Y266 I389 K390 G393 K397 I398 S399F208-Y395 AromaticContact CZ-CE2 3.86Å; F208-Y395 HydrophobicContact CZ-CE2 3.86Å; L212-Y395 HydrophobicContact CD1-CD2 4.17Å; Y266-Y395 WeakPolarHBondContact O-CE2 3.4Å; Y266-Y395 VanDerWaalsContact O-CZ 3.27Å; Y266-Y395 PolarHBondContact O-OH 2.87Å; I389-Y395 WeakPolarHBondContact O-CB 3.48Å; I389-Y395 PolarHBondContact O-N 2.77Å; K390-Y395 HydrophobicContact CG-CD1 4.22Å; K390-Y395 HydrophobicContact CG-CD2 4.24Å; K390-Y395 HydrophobicContact CG-CG 3.81Å; G393-Y395 VanDerWaalsContact C-N 3.32Å; G393-Y395 PolarHBondContact O-N 2.81Å; Y395-K397 VanDerWaalsContact C-N 3.31Å; Y395-K397 PolarHBondContact O-N 3.32Å; Y395-I398 PolarHBondContact O-N 3.08Å; Y395-I398 VanDerWaalsContact O-N 3.17Å; Y395-S399 WeakPolarHBondContact O-CB 3.29Å; Y395-S399 PolarHBondContact O-N 3.07Å
396Q95Very high92.4Very high94 Ų9470.4 Ų70.444%0.43938%0.383SS..Hα-helixtrans-62.3-42.3-178.2-171.161.448.200110.8G393 T394 I398 S399 D400G393-Q396 PolarHBondContact O-N 3.45Å; T394-Q396 PolarHBondContact O-N 3.38Å; Q396-I398 VanDerWaalsContact C-N 3.32Å; Q396-I398 PolarHBondContact O-N 3Å; Q396-S399 WeakPolarHBondContact O-CB 3.44Å; Q396-S399 PolarHBondContact O-N 3.14Å; Q396-S399 VanDerWaalsContact O-N 3.16Å; Q396-D400 PolarHBondContact NE2-OD1 3.3Å; Q396-D400 PolarHBondContact O-N 3.33Å
397K96Very high92.1Very high156 Ų15674.1 Ų74.168%0.67840%0.403SS*.Hα-helixtrans-59.1-41.6175.7-176.4179.5177.9-179.40112.7G393 T394 Y395 Q401G393-K397 PolarHBondContact O-N 3.29Å; G393-K397 VanDerWaalsContact O-N 3.08Å; T394-K397 PolarHBondContact O-N 3.31Å; Y395-K397 VanDerWaalsContact C-N 3.31Å; Y395-K397 PolarHBondContact O-N 3.32Å; K397-Q401 PolarHBondContact O-N 3Å
398I96Very high91.9Very high15 Ų1574.9 Ų74.98%0.07740%0.398CS..Hα-helixtrans-68.3-41.9176.4-64165.5000110F208 D211 A215 T394 Y395 Q396 Q401 W402F208-I398 HydrophobicContact CD2-CG2 3.71Å; F208-I398 HydrophobicContact CE2-CG2 3.84Å; D211-I398 HydrophobicContact CB-CG2 3.86Å; A215-I398 HydrophobicContact CB-CD1 3.61Å; T394-I398 HydrophobicContact CG2-CD1 4.01Å; T394-I398 WeakPolarHBondContact O-CG1 3.27Å; T394-I398 PolarHBondContact O-N 2.74Å; T394-I398 VanDerWaalsContact O-N 3.09Å; Y395-I398 PolarHBondContact O-N 3.08Å; Y395-I398 VanDerWaalsContact O-N 3.17Å; Q396-I398 VanDerWaalsContact C-N 3.32Å; Q396-I398 PolarHBondContact O-N 3Å; I398-Q401 WeakPolarHBondContact O-CB 3.39Å; I398-Q401 PolarHBondContact O-N 3.21Å; I398-W402 PolarHBondContact O-N 3.41Å
399S94.1Very high91.7Very high18 Ų1877.5 Ų77.513%0.12641%0.407CS..Hα-helixtrans-60-47.5176.4-171.40000111.8Y395 Q396 Q401 W402 F403Y395-S399 WeakPolarHBondContact O-CB 3.29Å; Y395-S399 PolarHBondContact O-N 3.07Å; Q396-S399 WeakPolarHBondContact O-CB 3.44Å; Q396-S399 PolarHBondContact O-N 3.14Å; Q396-S399 VanDerWaalsContact O-N 3.16Å; S399-Q401 VanDerWaalsContact C-N 3.25Å; S399-Q401 PolarHBondContact O-N 2.94Å; S399-W402 PolarHBondContact O-N 2.87Å; S399-F403 WeakPolarHBondContact O-CA 3.46Å; S399-F403 WeakPolarHBondContact O-CB 3.2Å; S399-F403 PolarHBondContact O-N 3.04Å
400D93.7Very high91.5Very high83 Ų8382.3 Ų82.344%0.44443%0.431SS..Hα-helixtrans-64.9-30.8-179.8-64.7-18.8000112.2Q396Q396-D400 PolarHBondContact NE2-OD1 3.3Å; Q396-D400 PolarHBondContact O-N 3.33Å
401Q93.5Very high91.2Very high116 Ų11682.1 Ų82.154%0.54244%0.436SS..Hα-helixtrans-67-42.1176.6-177.4-174.8-55.200112.1D211 K397 I398 S399D211-Q401 PolarHBondContact OD2-NE2 3.42Å; K397-Q401 PolarHBondContact O-N 3Å; I398-Q401 WeakPolarHBondContact O-CB 3.39Å; I398-Q401 PolarHBondContact O-N 3.21Å; S399-Q401 VanDerWaalsContact C-N 3.25Å; S399-Q401 PolarHBondContact O-N 2.94Å
402W93.5Very high91Very high61 Ų6181.4 Ų81.423%0.23141%0.412CS..Hα-helixtrans-96.6-23.3-173.8-71.5102.3000113.7P195 G207 F208 D211 I398 S399 P404P195-W402 HydrophobicContact CB-CE3 3.86Å; G207-W402 VanDerWaalsContact C-CE2 3.43Å; G207-W402 VanDerWaalsContact CA-CH2 3.43Å; G207-W402 VanDerWaalsContact CA-CZ2 3.4Å; F208-W402 HydrophobicContact CB-CB 3.88Å; F208-W402 HydrophobicContact CB-CD2 4.33Å; F208-W402 HydrophobicContact CB-CG 3.75Å; F208-W402 HydrophobicContact CD2-CB 4.08Å; F208-W402 HydrophobicContact CD2-CG 4.3Å; F208-W402 HydrophobicContact CG-CB 4.44Å; D211-W402 PolarHBondContact OD2-NE1 3.29Å; I398-W402 PolarHBondContact O-N 3.41Å; S399-W402 PolarHBondContact O-N 2.87Å; W402-P404 VanDerWaalsContact C-CD 3.45Å
403F90.2Very high90.8Very high37 Ų3780.7 Ų80.716%0.16241%0.407CS..SBendtrans-128.164.2-179.2-50.1-72.1000110.7P195 F196 F208 Y267 A338 S399 Q405P195-F403 HydrophobicContact CB-CE1 4.45Å; P195-F403 HydrophobicContact CG-CD1 4.02Å; P195-F403 HydrophobicContact CG-CE1 3.32Å; P195-F403 HydrophobicContact CG-CZ 3.99Å; F196-F403 HydrophobicContact CD1-CZ 4.25Å; F196-F403 AromaticContact CE1-CZ 3.7Å; F196-F403 HydrophobicContact CE1-CZ 3.7Å; F196-F403 HydrophobicContact CZ-CE1 4.36Å; F196-F403 AromaticContact CZ-CZ 3.96Å; F196-F403 HydrophobicContact CZ-CZ 3.96Å; F208-F403 HydrophobicContact CB-CE2 4.08Å; F208-F403 HydrophobicContact CB-CZ 4.16Å; F208-F403 HydrophobicContact CD1-CE2 4.01Å; F208-F403 HydrophobicContact CD1-CZ 4.32Å; F208-F403 HydrophobicContact CD2-CD2 4.12Å; F208-F403 AromaticContact CD2-CE2 3.44Å; F208-F403 HydrophobicContact CD2-CE2 3.44Å; F208-F403 VanDerWaalsContact CD2-CE2 3.44Å; F208-F403 HydrophobicContact CD2-CZ 4.33Å; F208-F403 HydrophobicContact CE1-CE2 4.29Å; F208-F403 HydrophobicContact CE2-CD2 4.33Å; F208-F403 AromaticContact CE2-CE2 3.79Å; F208-F403 HydrophobicContact CE2-CE2 3.79Å; F208-F403 AromaticContact CG-CE2 3.56Å; F208-F403 HydrophobicContact CG-CE2 3.56Å; F208-F403 HydrophobicContact CG-CZ 4.02Å; F208-F403 HydrophobicContact CZ-CE2 4.18Å; Y267-F403 HydrophobicContact CD2-CE2 4.02Å; Y267-F403 HydrophobicContact CD2-CZ 4.33Å; Y267-F403 AromaticContact CE2-CD2 3.95Å; Y267-F403 HydrophobicContact CE2-CD2 3.95Å; Y267-F403 HydrophobicContact CE2-CE1 4.24Å; Y267-F403 AromaticContact CE2-CE2 3.56Å; Y267-F403 HydrophobicContact CE2-CE2 3.56Å; Y267-F403 HydrophobicContact CE2-CG 4.44Å; Y267-F403 AromaticContact CE2-CZ 3.74Å; Y267-F403 HydrophobicContact CE2-CZ 3.74Å; A338-F403 HydrophobicContact CB-CD1 4.16Å; A338-F403 HydrophobicContact CB-CE1 3.61Å; S399-F403 WeakPolarHBondContact O-CA 3.46Å; S399-F403 WeakPolarHBondContact O-CB 3.2Å; S399-F403 PolarHBondContact O-N 3.04Å; F403-Q405 PolarHBondContact O-N 3.07Å
404P79.1Confident90.4Very high87 Ų8784.6 Ų84.657%0.56541%0.412SS*.  trans-62.1134.9174.727.8-34.1000109.7W402W402-P404 VanDerWaalsContact C-CD 3.45Å
405Q61.9Low89.9Confident261 Ų26187.5 Ų87.5100%1.2242%0.42SS*.  trans-67.10177.9-68.3-164.85.200113.1F403F403-Q405 PolarHBondContact O-N 3.07Å

Retrieved 405 of 405 residues in 545.1 ms (Link to these results)

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