A0A087Y5W4_POEFO Loading...

Elongator complex protein 6

AlphaFold DB , UniProt , Accession A0A087Y5W4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 236 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
1M68.8Low78.2Confident48 Ų4875.6 Ų75.624%0.23641%0.405CS..  0121.40177.5-177.4-78.400105.9T3 F41M1-T3 PolarHBondContact O-N 2.93Å; M1-F41 VanDerWaalsContact CE-CA 3.49Å; M1-F41 HydrophobicContact CE-CB 4.12Å
2F77.8Confident79Confident90 Ų9072.7 Ų72.740%0.39540%0.395SS..  trans-80.5105.4-177.7-57.1-83.5000110.2E4 L5 N6 F33 H37F2-E4 VanDerWaalsContact C-N 3.3Å; F2-L5 HydrophobicContact CB-CB 3.99Å; F2-N6 PolarHBondContact O-N 3.38Å; F2-F33 HydrophobicContact CD2-CD2 4.05Å; F2-F33 HydrophobicContact CE1-CD2 4.5Å; F2-F33 HydrophobicContact CE2-CB 4.13Å; F2-F33 AromaticContact CE2-CD2 3.43Å; F2-F33 HydrophobicContact CE2-CD2 3.43Å; F2-F33 VanDerWaalsContact CE2-CD2 3.43Å; F2-F33 HydrophobicContact CE2-CE2 4.3Å; F2-F33 HydrophobicContact CE2-CG 4.22Å; F2-F33 HydrophobicContact CZ-CB 4.21Å; F2-F33 AromaticContact CZ-CD2 3.68Å; F2-F33 HydrophobicContact CZ-CD2 3.68Å; F2-F33 HydrophobicContact CZ-CE2 4.47Å; F2-F33 HydrophobicContact CZ-CG 4.28Å; F2-H37 HydrophobicContact CD2-CB 3.98Å; F2-H37 HydrophobicContact CE2-CB 4.44Å; F2-H37 PolarHBondContact N-ND1 2.82Å; F2-H37 PolarHBondContact O-CE1 3.33Å
3T76.6Confident79.4Confident103 Ų10369.7 Ų69.763%0.63238%0.381SS*.Hα-helixtrans-69.9-29.4179.345.50000112.4M1 N6 S7M1-T3 PolarHBondContact O-N 2.93Å; T3-N6 WeakPolarHBondContact O-CB 3.42Å; T3-N6 PolarHBondContact O-N 3.14Å; T3-S7 PolarHBondContact O-N 3.47Å; T3-S7 VanDerWaalsContact O-N 3.1Å
4E77.5Confident79.8Confident147 Ų14776.1 Ų76.169%0.68742%0.415SS*.Hα-helixtrans-65.8-42.2176.3-68.4153.1-174.800111.2F2 N6 S7 I8F2-E4 VanDerWaalsContact C-N 3.3Å; E4-N6 PolarHBondContact O-N 2.92Å; E4-S7 WeakPolarHBondContact O-CB 3.36Å; E4-S7 PolarHBondContact O-N 3.48Å; E4-S7 VanDerWaalsContact O-N 3.1Å; E4-I8 WeakPolarHBondContact O-CG1 3.37Å; E4-I8 PolarHBondContact O-N 3.1Å
5L79.3Confident80.3Confident18 Ų1876.5 Ų76.59%0.09443%0.426CS..Hα-helixtrans-61.8-44.2176.2-176.663.4000111.6F2 S7 I8 L9 L34F2-L5 HydrophobicContact CB-CB 3.99Å; L5-S7 VanDerWaalsContact C-N 3.25Å; L5-S7 PolarHBondContact O-N 3.1Å; L5-I8 PolarHBondContact O-N 3.32Å; L5-I8 VanDerWaalsContact O-N 3.14Å; L5-L9 HydrophobicContact CD1-CD1 4.04Å; L5-L9 HydrophobicContact CD1-CG 4.16Å; L5-L9 HydrophobicContact CG-CD1 3.94Å; L5-L9 HydrophobicContact CG-CG 4.39Å; L5-L9 WeakPolarHBondContact O-CB 3.36Å; L5-L9 WeakPolarHBondContact O-CG 3.48Å; L5-L9 PolarHBondContact O-N 2.6Å; L5-L34 HydrophobicContact CD2-CD2 3.38Å
6N81.1Confident81Confident17 Ų1774.1 Ų74.19%0.09141%0.41CS..Hα-helixtrans-56.9-40.5173.3-74.6-3.2000112F2 T3 E4 L9 N10 T11 H37F2-N6 PolarHBondContact O-N 3.38Å; T3-N6 WeakPolarHBondContact O-CB 3.42Å; T3-N6 PolarHBondContact O-N 3.14Å; E4-N6 PolarHBondContact O-N 2.92Å; N6-L9 PolarHBondContact O-N 2.95Å; N6-N10 WeakPolarHBondContact O-CA 3.49Å; N6-N10 PolarHBondContact O-N 2.85Å; N6-T11 WeakPolarHBondContact CB-O 3.4Å; N6-T11 PolarHBondContact O-N 2.91Å; N6-H37 PolarHBondContact OD1-CE1 3.5Å; N6-H37 PolarHBondContact OD1-NE2 3.28Å; N6-H37 VanDerWaalsContact OD1-NE2 3.15Å
7S76.3Confident81.6Confident87 Ų8773.9 Ų73.961%0.60841%0.411SS*.Hα-helixtrans-67.1-38.3177-171.40000112.5T3 E4 L5 N10T3-S7 PolarHBondContact O-N 3.47Å; T3-S7 VanDerWaalsContact O-N 3.1Å; E4-S7 WeakPolarHBondContact O-CB 3.36Å; E4-S7 PolarHBondContact O-N 3.48Å; E4-S7 VanDerWaalsContact O-N 3.1Å; L5-S7 VanDerWaalsContact C-N 3.25Å; L5-S7 PolarHBondContact O-N 3.1Å; S7-N10 PolarHBondContact O-N 3.12Å; S7-N10 PolarHBondContact O-OD1 2.99Å
8I77.3Confident82.3Confident118 Ų11875.7 Ų75.761%0.60542%0.416SS*.Hα-helixtrans-65.8-45.4177.1-68.6165.1000109.9E4 L5 N10E4-I8 WeakPolarHBondContact O-CG1 3.37Å; E4-I8 PolarHBondContact O-N 3.1Å; L5-I8 PolarHBondContact O-N 3.32Å; L5-I8 VanDerWaalsContact O-N 3.14Å; I8-N10 PolarHBondContact O-N 3.46Å
9L81.5Confident83Confident31 Ų3172.7 Ų72.716%0.16240%0.404CS..Hα-helixtrans-77.3-6.2179.8-60.6179.2000113.2L5 N6 T11 F38 L215 L217L5-L9 HydrophobicContact CD1-CD1 4.04Å; L5-L9 HydrophobicContact CD1-CG 4.16Å; L5-L9 HydrophobicContact CG-CD1 3.94Å; L5-L9 HydrophobicContact CG-CG 4.39Å; L5-L9 WeakPolarHBondContact O-CB 3.36Å; L5-L9 WeakPolarHBondContact O-CG 3.48Å; L5-L9 PolarHBondContact O-N 2.6Å; N6-L9 PolarHBondContact O-N 2.95Å; L9-T11 HydrophobicContact CB-CG2 4.08Å; L9-T11 WeakPolarHBondContact O-CG2 2.83Å; L9-T11 PolarHBondContact O-N 3.3Å; L9-F38 HydrophobicContact CD1-CZ 4.31Å; L9-L215 HydrophobicContact CD1-CD2 4.49Å; L9-L215 HydrophobicContact CD2-CD2 3.72Å; L9-L217 HydrophobicContact CD2-CD2 4.39Å
10N81.1Confident83.6Confident146 Ų14671.5 Ų71.578%0.78140%0.395SS*.THydrogen-bonded Turntrans51.538.9-171.2-62.9-67.3000113.2N6 S7 I8N6-N10 WeakPolarHBondContact O-CA 3.49Å; N6-N10 PolarHBondContact O-N 2.85Å; S7-N10 PolarHBondContact O-N 3.12Å; S7-N10 PolarHBondContact O-OD1 2.99Å; I8-N10 PolarHBondContact O-N 3.46Å
11T83.6Confident84.3Confident27 Ų2768 Ų6817%0.16638%0.376CS..  trans-115.3149.8-178.6570000112.2N6 L9 F16N6-T11 WeakPolarHBondContact CB-O 3.4Å; N6-T11 PolarHBondContact O-N 2.91Å; L9-T11 HydrophobicContact CB-CG2 4.08Å; L9-T11 WeakPolarHBondContact O-CG2 2.83Å; L9-T11 PolarHBondContact O-N 3.3Å; T11-F16 HydrophobicContact CG2-CB 4.28Å
12S87.3Confident85.7Confident40 Ų4066 Ų6628%0.2837%0.366SS..BIsolated β-bridgetrans-140.3161.1168.979.90000110D14 S15 F41S12-D14 PolarHBondContact O-N 3.05Å; S12-D14 PolarHBondContact OG-N 3.15Å; S12-S15 PolarHBondContact N-O 3.35Å; S12-S15 CarbonylContact O-C 3.51Å; S12-S15 VanDerWaalsContact O-C 3.23Å; S12-S15 PolarHBondContact O-N 3.03Å; S12-S15 PolarHBondContact OG-N 3.46Å; S12-S15 VanDerWaalsContact OG-N 3.12Å; S12-F41 VanDerWaalsContact C-CE2 3.45Å; S12-F41 VanDerWaalsContact C-CZ 3.45Å; S12-F41 VanDerWaalsContact O-CZ 3.29Å; S12-F41 WeakPolarHBondContact O-CZ 3.42Å
13P84.2Confident86.6Confident34 Ų3461.8 Ų61.822%0.22135%0.347CS..THydrogen-bonded Turntrans-56.9-22.2173.9-26.636.3000113.8F41 R44 A45P13-F41 HydrophobicContact CG-CD2 4.23Å; P13-F41 HydrophobicContact CG-CE2 4.21Å; P13-R44 HydrophobicContact CB-CB 4.32Å; P13-R44 HydrophobicContact CG-CB 4.46Å; P13-A45 HydrophobicContact CB-CB 4.09Å; P13-A45 WeakPolarHBondContact O-CA 3.18Å; P13-A45 WeakPolarHBondContact O-CB 3.47Å
14D85.3Confident87.6Confident159 Ų15956.9 Ų56.985%0.8532%0.317SS*.THydrogen-bonded Turntrans-90-19.4178-55.5-49.4000112.8S12S12-D14 PolarHBondContact O-N 3.05Å; S12-D14 PolarHBondContact OG-N 3.15Å
15S87.4Confident88.3Confident83 Ų8349.9 Ų49.958%0.5829%0.285SS*.BIsolated β-bridgetrans-151.2111.9-176.4-169.10000111.5S12S12-S15 PolarHBondContact N-O 3.35Å; S12-S15 CarbonylContact O-C 3.51Å; S12-S15 VanDerWaalsContact O-C 3.23Å; S12-S15 PolarHBondContact O-N 3.03Å; S12-S15 PolarHBondContact OG-N 3.46Å; S12-S15 VanDerWaalsContact OG-N 3.12Å
16F91.4Very high88.8Confident38 Ų3849.2 Ų49.217%0.16728%0.281CS..  trans-147.3156.3175.462.1-86.5000110.2T11 Q18 F41 Y42 A45 C47 P142 N181T11-F16 HydrophobicContact CG2-CB 4.28Å; F16-Q18 HydrophobicContact CE2-CG 4.17Å; F16-F41 HydrophobicContact CB-CE1 4.24Å; F16-F41 HydrophobicContact CB-CZ 4.08Å; F16-F41 HydrophobicContact CD1-CE1 4.2Å; F16-F41 HydrophobicContact CD1-CZ 4.39Å; F16-F41 HydrophobicContact CG-CE1 4.19Å; F16-F41 HydrophobicContact CG-CZ 4.42Å; F16-Y42 HydrophobicContact CD2-CE1 4.12Å; F16-Y42 HydrophobicContact CE2-CE1 4.05Å; F16-A45 HydrophobicContact CD1-CB 4.42Å; F16-A45 HydrophobicContact CE1-CB 3.86Å; F16-C47 WeakPolarHBondContact CZ-SG 3.47Å; F16-P142 HydrophobicContact CZ-CG 4.28Å; F16-N181 WeakPolarHBondContact CD2-ND2 3.49Å
17T91.1Very high88.8Confident71 Ų7153.4 Ų53.444%0.43630%0.296SS..  trans-69.8134176.131.90000110.8E20 N181T17-E20 WeakPolarHBondContact CB-OE1 3.35Å; T17-E20 WeakPolarHBondContact CB-OE2 3.49Å; T17-E20 PolarHBondContact OG1-OE1 3.13Å; T17-E20 PolarHBondContact OG1-OE2 3.38Å; T17-N181 PolarHBondContact O-ND2 2.94Å; T17-N181 PolarHBondContact O-OD1 3.28Å
18Q93.7Very high88.5Confident106 Ų10654.2 Ų54.250%0.49529%0.29SS..SBendtrans-101.2153.7179.8-79.217930.200110.7F16 P142 Q179 N181F16-Q18 HydrophobicContact CE2-CG 4.17Å; Q18-P142 HydrophobicContact CG-CG 4.1Å; Q18-Q179 WeakPolarHBondContact CB-O 3.29Å; Q18-Q179 PolarHBondContact OE1-O 3.46Å; Q18-N181 WeakPolarHBondContact CA-OD1 3.47Å
19G95.4Very high88.4Confident18 Ų1849.9 Ų49.919%0.18627%0.27CS..SBendtrans79.520.7179.400000113.6C175 G180 N181G19-C175 WeakPolarHBondContact CA-O 3Å; G19-C175 WeakPolarHBondContact O-CB 3.48Å; G19-G180 WeakPolarHBondContact CA-O 3.31Å; G19-G180 PolarHBondContact N-O 3.25Å; G19-N181 PolarHBondContact N-OD1 2.92Å
20E96Very high88.6Confident48 Ų4852.7 Ų52.722%0.22429%0.285CS..  trans-99.5141.2-176.5-67.1-165.4146.500112.9T17 C175 N181 M182 N214T17-E20 WeakPolarHBondContact CB-OE1 3.35Å; T17-E20 WeakPolarHBondContact CB-OE2 3.49Å; T17-E20 PolarHBondContact OG1-OE1 3.13Å; T17-E20 PolarHBondContact OG1-OE2 3.38Å; E20-C175 PolarHBondContact O-SG 2.75Å; E20-N181 PolarHBondContact N-OD1 3.34Å; E20-N181 VanDerWaalsContact N-OD1 3.13Å; E20-N181 CarbonylContact O-C 3.52Å; E20-N181 WeakPolarHBondContact O-CA 3.21Å; E20-M182 PolarHBondContact O-N 3.44Å; E20-N214 HydrophobicContact CB-CB 4.37Å; E20-N214 HydrophobicContact CG-CB 4.42Å
21F97.8Very high89Confident0 Ų045.7 Ų45.70%025%0.248CC..EExtended strand (participates in β ladder)trans-105.3111.9165.2174.9-155.4000109.6L23 M182 M184 L209 Q212 C213 N214 L215F21-L23 HydrophobicContact CZ-CB 4.48Å; F21-L23 HydrophobicContact CZ-CD1 4.31Å; F21-M182 HydrophobicContact CB-CB 4.48Å; F21-M182 HydrophobicContact CB-SD 4.5Å; F21-M182 HydrophobicContact CD1-SD 4.29Å; F21-M182 HydrophobicContact CD2-CB 3.99Å; F21-M182 HydrophobicContact CD2-CG 3.62Å; F21-M182 HydrophobicContact CD2-SD 3.36Å; F21-M182 WeakPolarHBondContact CD2-SD 3.37Å; F21-M182 HydrophobicContact CE1-SD 4.42Å; F21-M182 HydrophobicContact CE2-CG 3.97Å; F21-M182 HydrophobicContact CE2-SD 3.53Å; F21-M182 VanDerWaalsContact CE2-SD 3.53Å; F21-M182 HydrophobicContact CG-CG 4.42Å; F21-M182 HydrophobicContact CG-SD 3.8Å; F21-M182 HydrophobicContact CZ-SD 4.07Å; F21-M184 HydrophobicContact CE2-CB 3.94Å; F21-M184 HydrophobicContact CE2-CG 3.86Å; F21-M184 HydrophobicContact CE2-SD 3.89Å; F21-M184 HydrophobicContact CZ-CB 4.39Å; F21-M184 HydrophobicContact CZ-CG 4.37Å; F21-M184 HydrophobicContact CZ-SD 3.87Å; F21-L209 HydrophobicContact CE1-CD2 4.26Å; F21-L209 HydrophobicContact CZ-CD2 4.23Å; F21-Q212 HydrophobicContact CD1-CB 4.21Å; F21-Q212 HydrophobicContact CE1-CB 4.05Å; F21-C213 VanDerWaalsContact CD1-CA 3.42Å; F21-C213 HydrophobicContact CD1-CB 3.71Å; F21-C213 HydrophobicContact CE1-CB 3.91Å; F21-C213 HydrophobicContact CG-CB 4.04Å; F21-C213 HydrophobicContact CZ-CB 4.41Å; F21-C213 WeakPolarHBondContact O-CB 3.28Å; F21-N214 PolarHBondContact N-OD1 3.35Å; F21-N214 PolarHBondContact O-N 3.04Å; F21-L215 PolarHBondContact O-N 3.38Å
22I97.8Very high89.3Confident6 Ų645.2 Ų45.23%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-97.2118174.2-53.4176.5000108.2F38 M182 V183 M184 L215 L217I22-F38 HydrophobicContact CD1-CD1 4.48Å; I22-F38 HydrophobicContact CD1-CE1 3.7Å; I22-F38 HydrophobicContact CD1-CZ 3.87Å; I22-F38 HydrophobicContact CG2-CE2 4.21Å; I22-F38 HydrophobicContact CG2-CZ 4.04Å; I22-M182 PolarHBondContact N-O 2.95Å; I22-V183 HydrophobicContact CB-CG1 4.28Å; I22-V183 HydrophobicContact CB-CG2 4.19Å; I22-V183 HydrophobicContact CD1-CG2 4.36Å; I22-V183 HydrophobicContact CG2-CG1 4.32Å; I22-V183 VanDerWaalsContact O-CA 3.24Å; I22-V183 WeakPolarHBondContact O-CA 3.33Å; I22-M184 PolarHBondContact O-N 3.26Å; I22-M184 VanDerWaalsContact O-N 3.11Å; I22-L215 CarbonylContact C-O 3.57Å; I22-L215 WeakPolarHBondContact CA-O 3.43Å; I22-L215 HydrophobicContact CD1-CD2 4.29Å; I22-L215 HydrophobicContact CG1-CB 4.38Å; I22-L215 HydrophobicContact CG1-CD2 4.15Å; I22-L215 HydrophobicContact CG2-CB 4.49Å; I22-L215 HydrophobicContact CG2-CD2 4.02Å; I22-L215 HydrophobicContact CG2-CG 4.12Å; I22-L217 HydrophobicContact CG2-CD1 4.22Å; I22-L217 HydrophobicContact CG2-CG 4.38Å
23L97.8Very high89.5Confident0 Ų046.2 Ų46.20%025%0.245CC..EExtended strand (participates in β ladder)trans-91.9132.9169.6-176.361.8000108.4F21 V186 L206 L209 I210 C213 L215 N216 L217F21-L23 HydrophobicContact CZ-CB 4.48Å; F21-L23 HydrophobicContact CZ-CD1 4.31Å; L23-V186 HydrophobicContact CD1-CG2 4.09Å; L23-L206 HydrophobicContact CD2-CD1 3.91Å; L23-L209 HydrophobicContact CD1-CB 4.03Å; L23-L209 HydrophobicContact CD1-CD1 3.98Å; L23-L209 HydrophobicContact CD2-CB 3.71Å; L23-I210 HydrophobicContact CD2-CG1 3.77Å; L23-C213 HydrophobicContact CB-CB 3.76Å; L23-L215 PolarHBondContact N-O 2.97Å; L23-N216 HydrophobicContact CB-CB 4.48Å; L23-N216 CarbonylContact O-C 3.54Å; L23-N216 WeakPolarHBondContact O-CA 3.23Å; L23-L217 PolarHBondContact O-N 3.43Å
24V96.5Very high90Very high0 Ų044.6 Ų44.60%024%0.235CC..EExtended strand (participates in β ladder)trans-108.8132.6166.2-173.90000106.5A31 L34 F38 V183 M184 L185 V186 L217V24-A31 HydrophobicContact CG1-CB 3.66Å; V24-L34 HydrophobicContact CG1-CB 4.12Å; V24-L34 HydrophobicContact CG1-CD1 3.51Å; V24-L34 HydrophobicContact CG1-CG 4.42Å; V24-L34 HydrophobicContact CG2-CB 4.28Å; V24-L34 HydrophobicContact CG2-CD1 4.42Å; V24-F38 HydrophobicContact CG2-CE2 4.35Å; V24-V183 HydrophobicContact CG2-CG1 3.86Å; V24-M184 PolarHBondContact N-O 3.19Å; V24-L185 HydrophobicContact CB-CB 4.38Å; V24-L185 HydrophobicContact CB-CD1 3.89Å; V24-L185 HydrophobicContact CG1-CD1 3.61Å; V24-L185 CarbonylContact O-C 3.55Å; V24-L185 VanDerWaalsContact O-CA 3.3Å; V24-L185 WeakPolarHBondContact O-CA 3.34Å; V24-V186 PolarHBondContact O-N 2.8Å; V24-L217 WeakPolarHBondContact CA-O 3.49Å
25S93.4Very high90.5Very high0 Ų037 Ų370%019%0.194CC..EExtended strand (participates in β ladder)trans-131.1146.6174.455.30000110.2V186 N216 L217 H218 V219S25-V186 VanDerWaalsContact CA-O 3.31Å; S25-V186 WeakPolarHBondContact CA-O 3.35Å; S25-N216 PolarHBondContact OG-OD1 3.08Å; S25-L217 PolarHBondContact N-O 3.41Å; S25-H218 CarbonylContact O-C 3.52Å; S25-H218 WeakPolarHBondContact O-CA 3.45Å; S25-H218 PolarHBondContact OG-ND1 3.29Å; S25-V219 PolarHBondContact O-N 3.44Å
26D88.6Confident90.9Very high5 Ų533.7 Ų33.73%0.02717%0.17CC..EExtended strand (participates in β ladder)trans-127.4153.4168.760.935.7000113.3S29 A31 V186 R187 C188 V219D26-S29 WeakPolarHBondContact CB-O 3.46Å; D26-A31 HydrophobicContact CB-CB 3.72Å; D26-A31 WeakPolarHBondContact OD2-CB 3.4Å; D26-A31 PolarHBondContact OD2-N 3.42Å; D26-V186 PolarHBondContact N-O 3.02Å; D26-R187 WeakPolarHBondContact OD1-CA 3.29Å; D26-R187 WeakPolarHBondContact OD1-CB 3.44Å; D26-R187 WeakPolarHBondContact OD1-CG 3.34Å; D26-R187 IonicContact OD2-NE 2.84Å; D26-C188 PolarHBondContact O-N 2.81Å; D26-C188 VanDerWaalsContact O-N 3.16Å; D26-V219 CarbonylContact C-O 3.59Å; D26-V219 VanDerWaalsContact CA-O 3.23Å; D26-V219 WeakPolarHBondContact CA-O 3.44Å; D26-V219 HydrophobicContact CB-CB 4.21Å
27R80.6Confident91Very high105 Ų10532 Ų3240%0.39616%0.162SC..EExtended strand (participates in β ladder)trans-134.1110171.4-173.4173.9-177.8-179.7-1.9108.6S29 V219R27-S29 PolarHBondContact O-N 3.37Å; R27-S29 VanDerWaalsContact O-N 3.09Å; R27-V219 PolarHBondContact N-O 3.01Å
28Q69.9Low91.3Very high103 Ų10328.8 Ų28.848%0.48114%0.142SC..SBendtrans56.421.9179-55175-10.400114.9K190Q28-K190 PolarHBondContact NE2-O 2.84Å
29S76.4Confident91.5Very high28 Ų2823.8 Ų23.820%0.19612%0.119CC..SBendtrans-144.1158.3176.4-167.90000109D26 R27 H231D26-S29 WeakPolarHBondContact CB-O 3.46Å; R27-S29 PolarHBondContact O-N 3.37Å; R27-S29 VanDerWaalsContact O-N 3.09Å; S29-H231 PolarHBondContact OG-O 3.05Å
30D84.6Confident91.5Very high89 Ų8922.9 Ų22.948%0.47611%0.11SC..  trans-90.7112.7-178179.520000111S32 F33 R187D30-S32 WeakPolarHBondContact OD1-CB 3.45Å; D30-S32 PolarHBondContact OD1-N 3.43Å; D30-S32 PolarHBondContact OD1-OG 2.79Å; D30-S32 PolarHBondContact OD2-OG 2.9Å; D30-F33 VanDerWaalsContact O-CD1 3.24Å; D30-F33 WeakPolarHBondContact O-CD1 3.48Å; D30-F33 WeakPolarHBondContact O-CE1 3.31Å; D30-R187 IonicContact OD1-NH2 3.81Å
31A89.3Confident91.5Very high0 Ų020.8 Ų20.80%010%0.1CC..  trans-91.45.1172.800000114.8V24 D26 F33 L34 L185 V219V24-A31 HydrophobicContact CG1-CB 3.66Å; D26-A31 HydrophobicContact CB-CB 3.72Å; D26-A31 WeakPolarHBondContact OD2-CB 3.4Å; D26-A31 PolarHBondContact OD2-N 3.42Å; A31-F33 PolarHBondContact O-N 2.8Å; A31-L34 HydrophobicContact CB-CD1 4.46Å; A31-L34 WeakPolarHBondContact O-CB 3.38Å; A31-L34 PolarHBondContact O-N 2.83Å; A31-L185 HydrophobicContact CB-CD1 3.8Å; A31-V219 HydrophobicContact CB-CB 3.94Å; A31-V219 HydrophobicContact CB-CG2 3.58Å
32S90.2Very high91.4Very high17 Ų1721 Ų2112%0.11910%0.101CC..Hα-helixtrans-56.6-27.9-178.970.30000113.5D30 L34 I35 H36D30-S32 WeakPolarHBondContact OD1-CB 3.45Å; D30-S32 PolarHBondContact OD1-N 3.43Å; D30-S32 PolarHBondContact OD1-OG 2.79Å; D30-S32 PolarHBondContact OD2-OG 2.9Å; S32-L34 PolarHBondContact O-N 3.29Å; S32-I35 WeakPolarHBondContact O-CB 3.36Å; S32-I35 PolarHBondContact O-N 3.49Å; S32-I35 VanDerWaalsContact O-N 3.07Å; S32-H36 PolarHBondContact O-CD2 3.04Å; S32-H36 PolarHBondContact O-N 3.02Å; S32-H36 VanDerWaalsContact O-N 3.11Å
33F91.8Very high91.3Very high61 Ų6121.1 Ų21.127%0.26810%0.101SC..Hα-helixtrans-59.9-29.7176.275.1-91.4000113.1F2 D30 A31 H36 H37 V219 V234F2-F33 HydrophobicContact CD2-CD2 4.05Å; F2-F33 HydrophobicContact CE1-CD2 4.5Å; F2-F33 HydrophobicContact CE2-CB 4.13Å; F2-F33 AromaticContact CE2-CD2 3.43Å; F2-F33 HydrophobicContact CE2-CD2 3.43Å; F2-F33 VanDerWaalsContact CE2-CD2 3.43Å; F2-F33 HydrophobicContact CE2-CE2 4.3Å; F2-F33 HydrophobicContact CE2-CG 4.22Å; F2-F33 HydrophobicContact CZ-CB 4.21Å; F2-F33 AromaticContact CZ-CD2 3.68Å; F2-F33 HydrophobicContact CZ-CD2 3.68Å; F2-F33 HydrophobicContact CZ-CE2 4.47Å; F2-F33 HydrophobicContact CZ-CG 4.28Å; D30-F33 VanDerWaalsContact O-CD1 3.24Å; D30-F33 WeakPolarHBondContact O-CD1 3.48Å; D30-F33 WeakPolarHBondContact O-CE1 3.31Å; A31-F33 PolarHBondContact O-N 2.8Å; F33-H36 PolarHBondContact O-N 3.27Å; F33-H37 WeakPolarHBondContact O-CB 3.48Å; F33-H37 PolarHBondContact O-N 3.09Å; F33-V219 HydrophobicContact CE1-CG1 4.24Å; F33-V219 HydrophobicContact CE1-CG2 4.3Å; F33-V219 HydrophobicContact CZ-CG2 4.31Å; F33-V234 HydrophobicContact CZ-CG2 4.01Å
34L94.4Very high91.2Very high0 Ų026.9 Ų26.90%012%0.123CC..Hα-helixtrans-70.4-38.4175.9-68.6174.1000110.9L5 V24 A31 S32 H37 F38 L217 V219L5-L34 HydrophobicContact CD2-CD2 3.38Å; V24-L34 HydrophobicContact CG1-CB 4.12Å; V24-L34 HydrophobicContact CG1-CD1 3.51Å; V24-L34 HydrophobicContact CG1-CG 4.42Å; V24-L34 HydrophobicContact CG2-CB 4.28Å; V24-L34 HydrophobicContact CG2-CD1 4.42Å; A31-L34 HydrophobicContact CB-CD1 4.46Å; A31-L34 WeakPolarHBondContact O-CB 3.38Å; A31-L34 PolarHBondContact O-N 2.83Å; S32-L34 PolarHBondContact O-N 3.29Å; L34-H37 WeakPolarHBondContact O-CB 3.28Å; L34-H37 PolarHBondContact O-N 2.91Å; L34-F38 WeakPolarHBondContact O-CD2 3.48Å; L34-F38 PolarHBondContact O-N 3.24Å; L34-L217 HydrophobicContact CD1-CB 4.16Å; L34-L217 HydrophobicContact CD1-CD1 4.42Å; L34-V219 HydrophobicContact CD1-CG2 3.62Å
35I96.6Very high91.1Very high0 Ų027.6 Ų27.60%013%0.129CC..Hα-helixtrans-63.1-44.4173.5-61.3-58.7000110.7S32 H37 F38 L39 F51 Y61 D148 V183 L185S32-I35 WeakPolarHBondContact O-CB 3.36Å; S32-I35 PolarHBondContact O-N 3.49Å; S32-I35 VanDerWaalsContact O-N 3.07Å; I35-H37 VanDerWaalsContact C-N 3.28Å; I35-H37 PolarHBondContact O-N 3Å; I35-F38 PolarHBondContact O-N 3.48Å; I35-L39 VanDerWaalsContact O-CB 3.3Å; I35-L39 WeakPolarHBondContact O-CB 3.35Å; I35-L39 PolarHBondContact O-N 3.39Å; I35-F51 HydrophobicContact CG2-CE2 3.98Å; I35-F51 HydrophobicContact CG2-CZ 3.56Å; I35-Y61 HydrophobicContact CG2-CE1 3.96Å; I35-D148 HydrophobicContact CG2-CB 4.1Å; I35-V183 HydrophobicContact CD1-CG1 4.11Å; I35-L185 HydrophobicContact CD1-CB 3.97Å; I35-L185 HydrophobicContact CG1-CB 4.04Å; I35-L185 HydrophobicContact CG1-CD2 4.34Å
36H95.1Very high91.2Very high13 Ų1334.4 Ų34.46%0.0616%0.155CC..Hα-helixtrans-60.3-38.3173.5-70.2-64000113S32 F33 S40 H60 Y61 V64 L68S32-H36 PolarHBondContact O-CD2 3.04Å; S32-H36 PolarHBondContact O-N 3.02Å; S32-H36 VanDerWaalsContact O-N 3.11Å; F33-H36 PolarHBondContact O-N 3.27Å; H36-S40 WeakPolarHBondContact O-CB 3.12Å; H36-S40 PolarHBondContact O-N 3.21Å; H36-S40 VanDerWaalsContact O-N 3.14Å; H36-S40 PolarHBondContact O-OG 3.18Å; H36-H60 AromaticContact CE1-CD2 3.85Å; H36-H60 AromaticContact CE1-NE2 3.76Å; H36-H60 AromaticContact NE2-NE2 3.54Å; H36-Y61 AromaticContact CE1-CD1 3.21Å; H36-Y61 WeakPolarHBondContact CE1-CD1 3.3Å; H36-Y61 AromaticContact CE1-CE1 3.33Å; H36-Y61 WeakPolarHBondContact CE1-CE1 3.43Å; H36-Y61 AromaticContact ND1-CD1 3.33Å; H36-Y61 VanDerWaalsContact ND1-CD1 3.33Å; H36-Y61 WeakPolarHBondContact ND1-CD1 3.41Å; H36-Y61 AromaticContact ND1-CE1 3.61Å; H36-Y61 AromaticContact NE2-CE1 3.96Å; H36-V64 HydrophobicContact CB-CG1 4.11Å; H36-L68 HydrophobicContact CB-CD1 4.35Å
37H94.4Very high91.5Very high1 Ų134.2 Ų34.21%0.00515%0.153CC..Hα-helixtrans-62.7-55.7175.6169.984000111.5F2 N6 F33 L34 I35 L39 S40 F41F2-H37 HydrophobicContact CD2-CB 3.98Å; F2-H37 HydrophobicContact CE2-CB 4.44Å; F2-H37 PolarHBondContact N-ND1 2.82Å; F2-H37 PolarHBondContact O-CE1 3.33Å; N6-H37 PolarHBondContact OD1-CE1 3.5Å; N6-H37 PolarHBondContact OD1-NE2 3.28Å; N6-H37 VanDerWaalsContact OD1-NE2 3.15Å; F33-H37 WeakPolarHBondContact O-CB 3.48Å; F33-H37 PolarHBondContact O-N 3.09Å; L34-H37 WeakPolarHBondContact O-CB 3.28Å; L34-H37 PolarHBondContact O-N 2.91Å; I35-H37 VanDerWaalsContact C-N 3.28Å; I35-H37 PolarHBondContact O-N 3Å; H37-L39 PolarHBondContact O-N 2.89Å; H37-S40 PolarHBondContact O-N 3.31Å; H37-F41 VanDerWaalsContact O-CB 3.3Å; H37-F41 WeakPolarHBondContact O-CB 3.4Å; H37-F41 PolarHBondContact O-N 3.22Å
38F96.9Very high92.2Very high5 Ų530.3 Ų30.32%0.02214%0.139CC..Hα-helixtrans-63.3-39.6-178.7-75.9-63.9000112.2L9 I22 V24 L34 I35 S40 F41 Y42 L146 V183 L217L9-F38 HydrophobicContact CD1-CZ 4.31Å; I22-F38 HydrophobicContact CD1-CD1 4.48Å; I22-F38 HydrophobicContact CD1-CE1 3.7Å; I22-F38 HydrophobicContact CD1-CZ 3.87Å; I22-F38 HydrophobicContact CG2-CE2 4.21Å; I22-F38 HydrophobicContact CG2-CZ 4.04Å; V24-F38 HydrophobicContact CG2-CE2 4.35Å; L34-F38 WeakPolarHBondContact O-CD2 3.48Å; L34-F38 PolarHBondContact O-N 3.24Å; I35-F38 PolarHBondContact O-N 3.48Å; F38-S40 PolarHBondContact O-N 3.44Å; F38-F41 WeakPolarHBondContact O-CB 3.27Å; F38-F41 PolarHBondContact O-N 3.42Å; F38-Y42 HydrophobicContact CB-CD2 4.19Å; F38-Y42 HydrophobicContact CB-CE2 4.13Å; F38-Y42 AromaticContact CD1-CE2 3.84Å; F38-Y42 HydrophobicContact CD1-CE2 3.84Å; F38-Y42 HydrophobicContact CG-CE2 4.37Å; F38-Y42 WeakPolarHBondContact O-CD2 3.3Å; F38-Y42 PolarHBondContact O-N 2.9Å; F38-L146 HydrophobicContact CB-CD2 4.23Å; F38-V183 HydrophobicContact CB-CG2 4.18Å; F38-V183 HydrophobicContact CD1-CG2 4.25Å; F38-V183 HydrophobicContact CD2-CG1 3.76Å; F38-V183 HydrophobicContact CD2-CG2 4.26Å; F38-V183 HydrophobicContact CE2-CG1 4.16Å; F38-V183 HydrophobicContact CG-CG1 4.3Å; F38-V183 HydrophobicContact CG-CG2 3.98Å; F38-L217 HydrophobicContact CE2-CD1 3.87Å; F38-L217 HydrophobicContact CZ-CD1 3.83Å
39L97.3Very high93.5Very high0 Ų025.4 Ų25.40%012%0.117CC..Hα-helixtrans-56.6-50.1173.5178.164.1000111.6I35 H37 F41 L43 V49 F51 Y61 L72 L81 L146I35-L39 VanDerWaalsContact O-CB 3.3Å; I35-L39 WeakPolarHBondContact O-CB 3.35Å; I35-L39 PolarHBondContact O-N 3.39Å; H37-L39 PolarHBondContact O-N 2.89Å; L39-F41 VanDerWaalsContact C-N 3.32Å; L39-F41 PolarHBondContact O-N 3.06Å; L39-L43 HydrophobicContact CD1-CD1 3.81Å; L39-L43 HydrophobicContact CD1-CG 4.28Å; L39-L43 HydrophobicContact CG-CD1 4.06Å; L39-L43 WeakPolarHBondContact O-CB 3.49Å; L39-L43 VanDerWaalsContact O-CG 3.24Å; L39-L43 WeakPolarHBondContact O-CG 3.46Å; L39-L43 PolarHBondContact O-N 3.11Å; L39-L43 VanDerWaalsContact O-N 3.15Å; L39-V49 HydrophobicContact CD1-CG1 4.15Å; L39-F51 HydrophobicContact CD1-CD1 3.84Å; L39-F51 HydrophobicContact CD1-CE1 4.34Å; L39-F51 HydrophobicContact CD2-CD1 3.92Å; L39-F51 HydrophobicContact CD2-CE1 3.68Å; L39-F51 HydrophobicContact CG-CD1 4.45Å; L39-F51 HydrophobicContact CG-CE1 4.49Å; L39-Y61 HydrophobicContact CD2-CD1 4.15Å; L39-L72 HydrophobicContact CD1-CD2 4.46Å; L39-L72 HydrophobicContact CD2-CD1 3.96Å; L39-L72 HydrophobicContact CD2-CD2 3.94Å; L39-L72 HydrophobicContact CG-CD2 4.23Å; L39-L81 HydrophobicContact CD1-CD1 4.35Å; L39-L146 HydrophobicContact CB-CD1 3.86Å; L39-L146 HydrophobicContact CD1-CD1 3.77Å; L39-L146 HydrophobicContact CG-CD1 4.44Å
40S95.8Very high94.5Very high0 Ų024.1 Ų24.10%011%0.108CC..Hα-helixtrans-67.3-35.6179.1-59.60000112.1H36 H37 F38 R44 L68H36-S40 WeakPolarHBondContact O-CB 3.12Å; H36-S40 PolarHBondContact O-N 3.21Å; H36-S40 VanDerWaalsContact O-N 3.14Å; H36-S40 PolarHBondContact O-OG 3.18Å; H37-S40 PolarHBondContact O-N 3.31Å; F38-S40 PolarHBondContact O-N 3.44Å; S40-R44 WeakPolarHBondContact O-CB 3.42Å; S40-R44 VanDerWaalsContact O-CG 3.28Å; S40-R44 WeakPolarHBondContact O-CG 3.36Å; S40-R44 PolarHBondContact O-N 3.45Å; S40-L68 VanDerWaalsContact OG-CD1 3.27Å; S40-L68 WeakPolarHBondContact OG-CD1 3.14Å
41F95.5Very high95.2Very high4 Ų419.9 Ų19.92%0.0189%0.085CC..Hα-helixtrans-61.8-57.3177.6177.4-87000111M1 S12 P13 F16 H37 F38 L39 L43 R44 A45M1-F41 VanDerWaalsContact CE-CA 3.49Å; M1-F41 HydrophobicContact CE-CB 4.12Å; S12-F41 VanDerWaalsContact C-CE2 3.45Å; S12-F41 VanDerWaalsContact C-CZ 3.45Å; S12-F41 VanDerWaalsContact O-CZ 3.29Å; S12-F41 WeakPolarHBondContact O-CZ 3.42Å; P13-F41 HydrophobicContact CG-CD2 4.23Å; P13-F41 HydrophobicContact CG-CE2 4.21Å; F16-F41 HydrophobicContact CB-CE1 4.24Å; F16-F41 HydrophobicContact CB-CZ 4.08Å; F16-F41 HydrophobicContact CD1-CE1 4.2Å; F16-F41 HydrophobicContact CD1-CZ 4.39Å; F16-F41 HydrophobicContact CG-CE1 4.19Å; F16-F41 HydrophobicContact CG-CZ 4.42Å; H37-F41 VanDerWaalsContact O-CB 3.3Å; H37-F41 WeakPolarHBondContact O-CB 3.4Å; H37-F41 PolarHBondContact O-N 3.22Å; F38-F41 WeakPolarHBondContact O-CB 3.27Å; F38-F41 PolarHBondContact O-N 3.42Å; L39-F41 VanDerWaalsContact C-N 3.32Å; L39-F41 PolarHBondContact O-N 3.06Å; F41-L43 PolarHBondContact O-N 3.03Å; F41-R44 PolarHBondContact O-N 2.97Å; F41-A45 WeakPolarHBondContact O-CB 3.18Å; F41-A45 PolarHBondContact O-N 3.42Å
42Y96.9Very high95.6Very high5 Ų519.9 Ų19.92%0.029%0.085CC..Hα-helixtrans-68.6-33.8-175.2-72.6-61.5000112.9F16 F38 R44 A45 R46 C47 V144 L146 N181 V183F16-Y42 HydrophobicContact CD2-CE1 4.12Å; F16-Y42 HydrophobicContact CE2-CE1 4.05Å; F38-Y42 HydrophobicContact CB-CD2 4.19Å; F38-Y42 HydrophobicContact CB-CE2 4.13Å; F38-Y42 AromaticContact CD1-CE2 3.84Å; F38-Y42 HydrophobicContact CD1-CE2 3.84Å; F38-Y42 HydrophobicContact CG-CE2 4.37Å; F38-Y42 WeakPolarHBondContact O-CD2 3.3Å; F38-Y42 PolarHBondContact O-N 2.9Å; Y42-R44 VanDerWaalsContact C-N 3.35Å; Y42-R44 PolarHBondContact O-N 2.92Å; Y42-A45 CarbonylContact O-C 3.59Å; Y42-A45 PolarHBondContact O-N 3.03Å; Y42-R46 PolarHBondContact O-N 2.66Å; Y42-C47 HydrophobicContact CD1-CB 4.46Å; Y42-C47 VanDerWaalsContact O-CB 3.31Å; Y42-C47 WeakPolarHBondContact O-CB 3.44Å; Y42-C47 PolarHBondContact O-N 3.49Å; Y42-V144 HydrophobicContact CD1-CG1 4.34Å; Y42-V144 HydrophobicContact CD1-CG2 3.58Å; Y42-V144 HydrophobicContact CD2-CG1 3.58Å; Y42-V144 HydrophobicContact CD2-CG2 4.33Å; Y42-V144 HydrophobicContact CE1-CG2 3.97Å; Y42-V144 HydrophobicContact CE2-CG1 3.86Å; Y42-V144 HydrophobicContact CG-CB 4.29Å; Y42-V144 HydrophobicContact CG-CG1 3.84Å; Y42-V144 HydrophobicContact CG-CG2 3.77Å; Y42-L146 HydrophobicContact CD2-CD2 4.34Å; Y42-L146 HydrophobicContact CE2-CD2 4.49Å; Y42-N181 HydrophobicContact CE1-CB 4.2Å; Y42-N181 WeakPolarHBondContact OH-CB 3.45Å; Y42-N181 PolarHBondContact OH-ND2 3.45Å; Y42-V183 HydrophobicContact CE2-CG2 3.91Å
43L96.1Very high95.9Very high8 Ų819.1 Ų19.14%0.0428%0.08CC..Hα-helixtrans-65-38.5173.7-71.8175.3000112.2L39 F41 R46 V49 V70 L72 A75 Q80 L81L39-L43 HydrophobicContact CD1-CD1 3.81Å; L39-L43 HydrophobicContact CD1-CG 4.28Å; L39-L43 HydrophobicContact CG-CD1 4.06Å; L39-L43 WeakPolarHBondContact O-CB 3.49Å; L39-L43 VanDerWaalsContact O-CG 3.24Å; L39-L43 WeakPolarHBondContact O-CG 3.46Å; L39-L43 PolarHBondContact O-N 3.11Å; L39-L43 VanDerWaalsContact O-N 3.15Å; F41-L43 PolarHBondContact O-N 3.03Å; L43-R46 PolarHBondContact O-N 3.04Å; L43-V49 HydrophobicContact CD2-CB 4.24Å; L43-V49 HydrophobicContact CD2-CG2 3.77Å; L43-V49 HydrophobicContact CG-CG2 4.18Å; L43-V70 HydrophobicContact CB-CG1 3.88Å; L43-V70 HydrophobicContact CD1-CG1 3.62Å; L43-V70 HydrophobicContact CG-CG1 4.41Å; L43-L72 HydrophobicContact CD1-CD2 3.4Å; L43-L72 VanDerWaalsContact CD1-CD2 3.4Å; L43-A75 HydrophobicContact CD1-CB 4.42Å; L43-A75 HydrophobicContact CD2-CB 3.95Å; L43-Q80 HydrophobicContact CD2-CG 3.98Å; L43-Q80 PolarHBondContact O-NE2 3.4Å; L43-L81 HydrophobicContact CD2-CB 4.36Å
44R94.9Very high96.1Very high121 Ų12116.4 Ų16.446%0.4577%0.068SC..Hα-helixtrans-70.6-34.4174-73.3-179.3-177.8-155-4.1112.5P13 S40 F41 Y42 R46 L68 V70P13-R44 HydrophobicContact CB-CB 4.32Å; P13-R44 HydrophobicContact CG-CB 4.46Å; S40-R44 WeakPolarHBondContact O-CB 3.42Å; S40-R44 VanDerWaalsContact O-CG 3.28Å; S40-R44 WeakPolarHBondContact O-CG 3.36Å; S40-R44 PolarHBondContact O-N 3.45Å; F41-R44 PolarHBondContact O-N 2.97Å; Y42-R44 VanDerWaalsContact C-N 3.35Å; Y42-R44 PolarHBondContact O-N 2.92Å; R44-R46 PolarHBondContact O-N 2.95Å; R44-L68 PolarHBondContact NH2-O 2.8Å; R44-V70 HydrophobicContact CG-CG2 3.88Å
45A94.4Very high96Very high15 Ų1517.3 Ų17.312%0.1248%0.075CC..THydrogen-bonded Turntrans-69.79.9172.300000113.4P13 F16 F41 Y42 C47P13-A45 HydrophobicContact CB-CB 4.09Å; P13-A45 WeakPolarHBondContact O-CA 3.18Å; P13-A45 WeakPolarHBondContact O-CB 3.47Å; F16-A45 HydrophobicContact CD1-CB 4.42Å; F16-A45 HydrophobicContact CE1-CB 3.86Å; F41-A45 WeakPolarHBondContact O-CB 3.18Å; F41-A45 PolarHBondContact O-N 3.42Å; Y42-A45 CarbonylContact O-C 3.59Å; Y42-A45 PolarHBondContact O-N 3.03Å; A45-C47 PolarHBondContact O-N 3.1Å
46R94.5Very high95.8Very high143 Ų14320.9 Ų20.954%0.549%0.092SC..THydrogen-bonded Turntrans56.122.8-179-62.1-70.9-160.8146.56.9113.4Y42 L43 R44 G141Y42-R46 PolarHBondContact O-N 2.66Å; L43-R46 PolarHBondContact O-N 3.04Å; R44-R46 PolarHBondContact O-N 2.95Å; R46-G141 PolarHBondContact O-N 2.97Å
47C95.3Very high95.8Very high0 Ų022.3 Ų22.30%010%0.103CC..EExtended strand (participates in β ladder)trans-73.8153.2176.6-64.20000110.7F16 Y42 A45 Q80 P142 V144F16-C47 WeakPolarHBondContact CZ-SG 3.47Å; Y42-C47 HydrophobicContact CD1-CB 4.46Å; Y42-C47 VanDerWaalsContact O-CB 3.31Å; Y42-C47 WeakPolarHBondContact O-CB 3.44Å; Y42-C47 PolarHBondContact O-N 3.49Å; A45-C47 PolarHBondContact O-N 3.1Å; C47-Q80 WeakPolarHBondContact O-CG 3.24Å; C47-Q80 PolarHBondContact O-NE2 3.46Å; C47-P142 VanDerWaalsContact CB-O 3.29Å; C47-P142 WeakPolarHBondContact CB-O 3.44Å; C47-V144 HydrophobicContact CB-CG2 3.74Å
48K95.2Very high95.9Very high23 Ų2324 Ų2410%0.111%0.111CC..EExtended strand (participates in β ladder)trans-84.8123168-174.3171.7-178.8175.20108.8Q80 S130 W140 P142 N143 V144K48-Q80 CarbonylContact C-O 3.43Å; K48-Q80 WeakPolarHBondContact CA-O 2.99Å; K48-S130 WeakPolarHBondContact CD-OG 3.32Å; K48-S130 WeakPolarHBondContact CE-OG 3.43Å; K48-S130 VanDerWaalsContact NZ-CB 3.34Å; K48-S130 PolarHBondContact NZ-OG 3.49Å; K48-W140 HydrophobicContact CB-CB 3.87Å; K48-W140 HydrophobicContact CB-CG 4.29Å; K48-P142 PolarHBondContact N-O 3.47Å; K48-N143 CarbonylContact O-C 3.58Å; K48-N143 WeakPolarHBondContact O-CA 3.08Å; K48-V144 PolarHBondContact O-N 3.43Å
49V97.6Very high95.8Very high1 Ų128.4 Ų28.41%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-113.1121.8-172-175.90000109.8L39 L43 F51 Q80 L81 V82 V144 L146L39-V49 HydrophobicContact CD1-CG1 4.15Å; L43-V49 HydrophobicContact CD2-CB 4.24Å; L43-V49 HydrophobicContact CD2-CG2 3.77Å; L43-V49 HydrophobicContact CG-CG2 4.18Å; V49-F51 HydrophobicContact CG1-CB 4.3Å; V49-Q80 PolarHBondContact N-O 3.23Å; V49-L81 HydrophobicContact CB-CD1 3.95Å; V49-L81 HydrophobicContact CG1-CD1 3.91Å; V49-L81 CarbonylContact O-C 3.44Å; V49-L81 WeakPolarHBondContact O-CA 3.48Å; V49-V82 PolarHBondContact O-N 3.27Å; V49-V144 CarbonylContact C-O 3.24Å; V49-V144 WeakPolarHBondContact CA-O 3.21Å; V49-V144 HydrophobicContact CG2-CB 4.33Å; V49-L146 HydrophobicContact CG1-CD1 3.68Å; V49-L146 HydrophobicContact CG1-CG 4.04Å
50C97.9Very high95.6Very high1 Ų131.7 Ų31.71%0.00716%0.157CC..EExtended strand (participates in β ladder)trans-97.7117.6160.1-174.20000107.5V82 M127 V144 L145 L146C50-V82 CarbonylContact C-O 3.55Å; C50-V82 WeakPolarHBondContact CA-O 3.33Å; C50-M127 HydrophobicContact CB-CE 3.22Å; C50-M127 HydrophobicContact CB-SD 3.84Å; C50-V144 PolarHBondContact N-O 2.91Å; C50-L145 HydrophobicContact CB-CD1 4.33Å; C50-L145 WeakPolarHBondContact O-CA 3.46Å; C50-L146 PolarHBondContact O-N 3.29Å
51F98.3Very high95.7Very high0 Ų031.8 Ų31.80%016%0.157CC..EExtended strand (participates in β ladder)trans-115.9114.9-177.9-171.1-171.6000110.4I35 L39 V49 Y61 L81 V82 F83 F84 L146 D148I35-F51 HydrophobicContact CG2-CE2 3.98Å; I35-F51 HydrophobicContact CG2-CZ 3.56Å; L39-F51 HydrophobicContact CD1-CD1 3.84Å; L39-F51 HydrophobicContact CD1-CE1 4.34Å; L39-F51 HydrophobicContact CD2-CD1 3.92Å; L39-F51 HydrophobicContact CD2-CE1 3.68Å; L39-F51 HydrophobicContact CG-CD1 4.45Å; L39-F51 HydrophobicContact CG-CE1 4.49Å; V49-F51 HydrophobicContact CG1-CB 4.3Å; F51-Y61 AromaticContact CE1-CD1 3.61Å; F51-Y61 HydrophobicContact CE1-CD1 3.61Å; F51-Y61 AromaticContact CE1-CD2 3.68Å; F51-Y61 HydrophobicContact CE1-CD2 3.68Å; F51-Y61 AromaticContact CE1-CE1 3.8Å; F51-Y61 HydrophobicContact CE1-CE1 3.8Å; F51-Y61 AromaticContact CE1-CE2 3.76Å; F51-Y61 HydrophobicContact CE1-CE2 3.76Å; F51-Y61 AromaticContact CE1-CG 3.62Å; F51-Y61 HydrophobicContact CE1-CG 3.62Å; F51-Y61 AromaticContact CE1-CZ 3.9Å; F51-Y61 AromaticContact CZ-CD1 3.92Å; F51-Y61 HydrophobicContact CZ-CD1 3.92Å; F51-Y61 AromaticContact CZ-CD2 3.96Å; F51-Y61 HydrophobicContact CZ-CD2 3.96Å; F51-Y61 AromaticContact CZ-CE1 3.58Å; F51-Y61 HydrophobicContact CZ-CE1 3.58Å; F51-Y61 AromaticContact CZ-CE2 3.52Å; F51-Y61 HydrophobicContact CZ-CE2 3.52Å; F51-Y61 HydrophobicContact CZ-CG 4.15Å; F51-Y61 AromaticContact CZ-CZ 3.39Å; F51-L81 HydrophobicContact CB-CD1 3.96Å; F51-V82 PolarHBondContact N-O 3.28Å; F51-F83 HydrophobicContact CB-CD2 3.95Å; F51-F83 HydrophobicContact CB-CE2 4.45Å; F51-F83 AromaticContact CD1-CD2 3.55Å; F51-F83 HydrophobicContact CD1-CD2 3.55Å; F51-F83 AromaticContact CD1-CE2 3.39Å; F51-F83 HydrophobicContact CD1-CE2 3.39Å; F51-F83 HydrophobicContact CE1-CD2 4.29Å; F51-F83 AromaticContact CE1-CE2 3.67Å; F51-F83 HydrophobicContact CE1-CE2 3.67Å; F51-F83 AromaticContact CG-CD2 3.92Å; F51-F83 HydrophobicContact CG-CD2 3.92Å; F51-F83 AromaticContact CG-CE2 3.93Å; F51-F83 HydrophobicContact CG-CE2 3.93Å; F51-F83 HydrophobicContact CZ-CE2 4.45Å; F51-F83 WeakPolarHBondContact O-CA 3.45Å; F51-F84 PolarHBondContact O-N 3.33Å; F51-L146 WeakPolarHBondContact CA-O 3.27Å; F51-L146 HydrophobicContact CB-CB 4.34Å; F51-L146 HydrophobicContact CD2-CB 3.52Å; F51-L146 WeakPolarHBondContact CD2-O 3.43Å; F51-L146 HydrophobicContact CE2-CB 4Å; F51-L146 HydrophobicContact CG-CB 4.04Å; F51-D148 HydrophobicContact CE2-CB 3.76Å; F51-D148 HydrophobicContact CZ-CB 3.96Å
52L98.1Very high95.7Very high0 Ų032.4 Ų32.40%017%0.165CC..EExtended strand (participates in β ladder)trans-88.499.4169.5-50.2-173.1000109.5L54 F84 L119 F122 V123 L145 L146 V147 D148 F166L52-L54 PolarHBondContact O-N 2.79Å; L52-F84 HydrophobicContact CB-CD1 4.45Å; L52-F84 HydrophobicContact CD2-CB 3.59Å; L52-F84 HydrophobicContact CD2-CD1 3.92Å; L52-F84 HydrophobicContact CD2-CG 3.98Å; L52-L119 HydrophobicContact CD1-CD1 4.25Å; L52-L119 HydrophobicContact CD1-CG 4.43Å; L52-F122 HydrophobicContact CD2-CD1 4.08Å; L52-F122 HydrophobicContact CD2-CE1 3.76Å; L52-V123 HydrophobicContact CD1-CG2 3.84Å; L52-V123 HydrophobicContact CD2-CG2 4.16Å; L52-V123 HydrophobicContact CG-CG2 4.41Å; L52-L145 HydrophobicContact CD1-CD1 4.33Å; L52-L145 HydrophobicContact CG-CD1 4.12Å; L52-L146 PolarHBondContact N-O 2.91Å; L52-V147 HydrophobicContact CB-CG1 4.28Å; L52-V147 HydrophobicContact CB-CG2 4.26Å; L52-V147 HydrophobicContact CD1-CG2 4.03Å; L52-V147 HydrophobicContact CG-CG2 4.31Å; L52-D148 PolarHBondContact O-N 2.84Å; L52-D148 VanDerWaalsContact O-N 3.12Å; L52-F166 HydrophobicContact CD1-CZ 3.95Å
53G96.9Very high95.6Very high1 Ų134.9 Ų34.91%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-86.689.7169.200000110F84 G86G53-F84 WeakPolarHBondContact CA-O 3.38Å; G53-F84 PolarHBondContact N-O 3.36Å; G53-G86 PolarHBondContact O-N 2.87Å
54L95.9Very high95.5Very high3 Ų336.4 Ų36.42%0.01620%0.196CC..SBendtrans-84.1-31.2178.5-60.9-179000112L52 F84 L87 V147 D148 D149 V152 L153L52-L54 PolarHBondContact O-N 2.79Å; L54-F84 HydrophobicContact CD2-CD1 4.4Å; L54-F84 HydrophobicContact CD2-CE1 4.1Å; L54-L87 WeakPolarHBondContact O-CD2 3.36Å; L54-L87 VanDerWaalsContact O-CG 3.29Å; L54-L87 WeakPolarHBondContact O-CG 3.24Å; L54-V147 HydrophobicContact CD1-CG1 3.85Å; L54-V147 HydrophobicContact CG-CG1 4.42Å; L54-D148 WeakPolarHBondContact CA-OD1 3.33Å; L54-D148 PolarHBondContact N-OD1 2.93Å; L54-D149 WeakPolarHBondContact CD1-O 3.29Å; L54-V152 HydrophobicContact CB-CB 4.27Å; L54-V152 HydrophobicContact CB-CG1 4.36Å; L54-L153 HydrophobicContact CD1-CD1 4.29Å; L54-L153 HydrophobicContact CD1-CD2 4.1Å; L54-L153 HydrophobicContact CD1-CG 3.97Å
55A92.9Very high95.4Very high19 Ų1930.7 Ų30.716%0.15717%0.174CC..SBendtrans-103.5-33.5-179.500000113.7L87 D148 D149 V152A55-L87 WeakPolarHBondContact O-CD1 3.33Å; A55-D148 PolarHBondContact N-OD1 3.07Å; A55-D148 PolarHBondContact N-OD2 3.45Å; A55-D149 HydrophobicContact CB-CB 3.8Å; A55-V152 HydrophobicContact CB-CG2 4.1Å
56Q93Very high95.4Very high76 Ų7635.4 Ų35.436%0.35519%0.194SC..SBendtrans-123.5150.2-172.4-65.3-64.8-22.700113.4H60 Y61 D148Q56-H60 HydrophobicContact CB-CB 4.37Å; Q56-Y61 HydrophobicContact CB-CD2 4.14Å; Q56-Y61 HydrophobicContact CB-CE2 3.47Å; Q56-Y61 VanDerWaalsContact CB-CE2 3.47Å; Q56-Y61 HydrophobicContact CG-CE2 4.5Å; Q56-D148 PolarHBondContact N-OD2 2.65Å; Q56-D148 VanDerWaalsContact N-OD2 3.09Å
57S94.1Very high95.3Very high42 Ų4239 Ų3929%0.29421%0.207SC..  trans-75.4160.6-178.467.20000113.2C59 H60 Y61 E85S57-C59 PolarHBondContact O-N 2.91Å; S57-H60 WeakPolarHBondContact O-CB 3.33Å; S57-H60 PolarHBondContact O-N 3.46Å; S57-H60 VanDerWaalsContact O-N 3.15Å; S57-H60 PolarHBondContact OG-N 2.8Å; S57-Y61 WeakPolarHBondContact O-CD2 3.21Å; S57-Y61 PolarHBondContact O-N 3.11Å; S57-E85 VanDerWaalsContact CB-OE1 3.3Å; S57-E85 WeakPolarHBondContact CB-OE1 3.4Å
58F95.7Very high95.1Very high36 Ų3641 Ų4116%0.15822%0.217CC..Hα-helixtrans-56.6-37.8171.1-178.6-95.7000112H60 Y61 G62 L72 K76 L81 F83F58-H60 VanDerWaalsContact C-N 3.35Å; F58-H60 PolarHBondContact O-N 2.83Å; F58-Y61 PolarHBondContact O-N 2.82Å; F58-G62 PolarHBondContact O-N 3.15Å; F58-L72 HydrophobicContact CE2-CB 3.83Å; F58-L72 HydrophobicContact CE2-CD1 4.44Å; F58-L72 HydrophobicContact CZ-CB 3.68Å; F58-K76 HydrophobicContact CE2-CD 4.26Å; F58-K76 HydrophobicContact CZ-CD 4.34Å; F58-L81 HydrophobicContact CE2-CD2 4.13Å; F58-F83 HydrophobicContact CB-CD1 3.9Å; F58-F83 HydrophobicContact CB-CE1 3.82Å; F58-F83 HydrophobicContact CB-CG 4.46Å; F58-F83 HydrophobicContact CB-CZ 4.31Å; F58-F83 HydrophobicContact CD2-CB 3.81Å; F58-F83 AromaticContact CD2-CD1 3.87Å; F58-F83 HydrophobicContact CD2-CD1 3.87Å; F58-F83 AromaticContact CD2-CD2 3.93Å; F58-F83 HydrophobicContact CD2-CD2 3.93Å; F58-F83 HydrophobicContact CD2-CE1 4.44Å; F58-F83 HydrophobicContact CD2-CE2 4.48Å; F58-F83 AromaticContact CD2-CG 3.6Å; F58-F83 HydrophobicContact CD2-CG 3.6Å; F58-F83 HydrophobicContact CE2-CB 4.2Å; F58-F83 HydrophobicContact CE2-CG 4.39Å; F58-F83 HydrophobicContact CG-CD1 4.38Å
59C94.9Very high95Very high99 Ų9942.6 Ų42.667%0.66924%0.241SC*.Hα-helixtrans-63.1-40.3178.9-66.90000112.1S57 G62 A63S57-C59 PolarHBondContact O-N 2.91Å; C59-G62 PolarHBondContact O-N 2.84Å; C59-A63 WeakPolarHBondContact O-CB 3.29Å; C59-A63 PolarHBondContact O-N 2.99Å
60H94.5Very high94.8Very high69 Ų6943.3 Ų43.332%0.31925%0.245SC..Hα-helixtrans-61.8-54.3176.8178.188.1000110.9H36 Q56 S57 F58 G62 A63 V64H36-H60 AromaticContact CE1-CD2 3.85Å; H36-H60 AromaticContact CE1-NE2 3.76Å; H36-H60 AromaticContact NE2-NE2 3.54Å; Q56-H60 HydrophobicContact CB-CB 4.37Å; S57-H60 WeakPolarHBondContact O-CB 3.33Å; S57-H60 PolarHBondContact O-N 3.46Å; S57-H60 VanDerWaalsContact O-N 3.15Å; S57-H60 PolarHBondContact OG-N 2.8Å; F58-H60 VanDerWaalsContact C-N 3.35Å; F58-H60 PolarHBondContact O-N 2.83Å; H60-G62 VanDerWaalsContact C-N 3.28Å; H60-G62 PolarHBondContact O-N 2.91Å; H60-A63 PolarHBondContact O-N 2.77Å; H60-V64 PolarHBondContact O-N 3.19Å
61Y96.3Very high94.7Very high1 Ų144.5 Ų44.50%0.00425%0.254CS..Hα-helixtrans-61.6-36.2177.1-76.3-69000112.8I35 H36 L39 F51 Q56 S57 F58 S65 L72 F83 D148I35-Y61 HydrophobicContact CG2-CE1 3.96Å; H36-Y61 AromaticContact CE1-CD1 3.21Å; H36-Y61 WeakPolarHBondContact CE1-CD1 3.3Å; H36-Y61 AromaticContact CE1-CE1 3.33Å; H36-Y61 WeakPolarHBondContact CE1-CE1 3.43Å; H36-Y61 AromaticContact ND1-CD1 3.33Å; H36-Y61 VanDerWaalsContact ND1-CD1 3.33Å; H36-Y61 WeakPolarHBondContact ND1-CD1 3.41Å; H36-Y61 AromaticContact ND1-CE1 3.61Å; H36-Y61 AromaticContact NE2-CE1 3.96Å; L39-Y61 HydrophobicContact CD2-CD1 4.15Å; F51-Y61 AromaticContact CE1-CD1 3.61Å; F51-Y61 HydrophobicContact CE1-CD1 3.61Å; F51-Y61 AromaticContact CE1-CD2 3.68Å; F51-Y61 HydrophobicContact CE1-CD2 3.68Å; F51-Y61 AromaticContact CE1-CE1 3.8Å; F51-Y61 HydrophobicContact CE1-CE1 3.8Å; F51-Y61 AromaticContact CE1-CE2 3.76Å; F51-Y61 HydrophobicContact CE1-CE2 3.76Å; F51-Y61 AromaticContact CE1-CG 3.62Å; F51-Y61 HydrophobicContact CE1-CG 3.62Å; F51-Y61 AromaticContact CE1-CZ 3.9Å; F51-Y61 AromaticContact CZ-CD1 3.92Å; F51-Y61 HydrophobicContact CZ-CD1 3.92Å; F51-Y61 AromaticContact CZ-CD2 3.96Å; F51-Y61 HydrophobicContact CZ-CD2 3.96Å; F51-Y61 AromaticContact CZ-CE1 3.58Å; F51-Y61 HydrophobicContact CZ-CE1 3.58Å; F51-Y61 AromaticContact CZ-CE2 3.52Å; F51-Y61 HydrophobicContact CZ-CE2 3.52Å; F51-Y61 HydrophobicContact CZ-CG 4.15Å; F51-Y61 AromaticContact CZ-CZ 3.39Å; Q56-Y61 HydrophobicContact CB-CD2 4.14Å; Q56-Y61 HydrophobicContact CB-CE2 3.47Å; Q56-Y61 VanDerWaalsContact CB-CE2 3.47Å; Q56-Y61 HydrophobicContact CG-CE2 4.5Å; S57-Y61 WeakPolarHBondContact O-CD2 3.21Å; S57-Y61 PolarHBondContact O-N 3.11Å; F58-Y61 PolarHBondContact O-N 2.82Å; Y61-S65 WeakPolarHBondContact O-CB 3.45Å; Y61-S65 PolarHBondContact O-N 2.83Å; Y61-S65 PolarHBondContact O-OG 2.93Å; Y61-L72 VanDerWaalsContact C-CD1 3.46Å; Y61-F83 AromaticContact CD2-CE2 3.74Å; Y61-F83 HydrophobicContact CD2-CE2 3.74Å; Y61-F83 AromaticContact CD2-CZ 3.82Å; Y61-F83 HydrophobicContact CD2-CZ 3.82Å; Y61-F83 HydrophobicContact CE2-CE2 4.4Å; Y61-F83 HydrophobicContact CE2-CZ 4.36Å; Y61-F83 HydrophobicContact CG-CE2 4.37Å; Y61-D148 HydrophobicContact CE2-CB 4.34Å; Y61-D148 WeakPolarHBondContact OH-CB 3.04Å; Y61-D148 PolarHBondContact OH-OD2 3.41Å
62G95.6Very high94.7Very high18 Ų1844.6 Ų44.619%0.18625%0.254CS..Hα-helixtrans-62.3-47.1177.100000112.2F58 C59 H60 V64 S65 Q66F58-G62 PolarHBondContact O-N 3.15Å; C59-G62 PolarHBondContact O-N 2.84Å; H60-G62 VanDerWaalsContact C-N 3.28Å; H60-G62 PolarHBondContact O-N 2.91Å; G62-V64 PolarHBondContact O-N 2.79Å; G62-S65 PolarHBondContact O-N 2.94Å; G62-Q66 VanDerWaalsContact O-CB 3.29Å; G62-Q66 WeakPolarHBondContact O-CB 3.4Å; G62-Q66 PolarHBondContact O-N 2.9Å
63A95.3Very high94.6Very high56 Ų5648.1 Ų48.146%0.46328%0.276SS..Hα-helixtrans-62.1-42.1179.400000112.4C59 H60C59-A63 WeakPolarHBondContact O-CB 3.29Å; C59-A63 PolarHBondContact O-N 2.99Å; H60-A63 PolarHBondContact O-N 2.77Å
64V93.9Very high94.6Very high41 Ų4153.4 Ų53.425%0.24830%0.3CS..Hα-helixtrans-72.2-47.1178.6-178.80000111.1H36 H60 G62 Q66 R67 L68H36-V64 HydrophobicContact CB-CG1 4.11Å; H60-V64 PolarHBondContact O-N 3.19Å; G62-V64 PolarHBondContact O-N 2.79Å; V64-Q66 VanDerWaalsContact C-N 3.26Å; V64-Q66 PolarHBondContact O-N 3.22Å; V64-R67 WeakPolarHBondContact O-CB 3.31Å; V64-R67 PolarHBondContact O-N 3.1Å; V64-L68 HydrophobicContact CG1-CD1 4.48Å; V64-L68 PolarHBondContact O-N 2.96Å; V64-L68 VanDerWaalsContact O-N 3.11Å
65S93.4Very high94.5Very high0 Ų053.5 Ų53.50%030%0.301CS..Hα-helixtrans-61.5-35.5-179.5-56.50000112Y61 G62 R67 L68 G69 V70Y61-S65 WeakPolarHBondContact O-CB 3.45Å; Y61-S65 PolarHBondContact O-N 2.83Å; Y61-S65 PolarHBondContact O-OG 2.93Å; G62-S65 PolarHBondContact O-N 2.94Å; S65-R67 VanDerWaalsContact C-N 3.3Å; S65-R67 PolarHBondContact O-N 3.16Å; S65-L68 CarbonylContact O-C 3.01Å; S65-L68 VanDerWaalsContact O-C 3.24Å; S65-L68 VanDerWaalsContact O-CA 3.3Å; S65-L68 WeakPolarHBondContact O-CA 3.15Å; S65-L68 WeakPolarHBondContact O-CB 3.14Å; S65-L68 PolarHBondContact O-N 2.91Å; S65-G69 PolarHBondContact O-N 2.96Å; S65-G69 VanDerWaalsContact O-N 3.1Å; S65-V70 CarbonylContact C-O 3.5Å; S65-V70 PolarHBondContact O-N 3.4Å
66Q94.3Very high94.6Very high114 Ų11458 Ų5853%0.53332%0.317SS..Hα-helixtrans-61-39.5175.5-172.86531.700111.6G62 V64 L68 G69 V70G62-Q66 VanDerWaalsContact O-CB 3.29Å; G62-Q66 WeakPolarHBondContact O-CB 3.4Å; G62-Q66 PolarHBondContact O-N 2.9Å; V64-Q66 VanDerWaalsContact C-N 3.26Å; V64-Q66 PolarHBondContact O-N 3.22Å; Q66-L68 VanDerWaalsContact C-N 3.25Å; Q66-L68 PolarHBondContact O-N 2.96Å; Q66-G69 PolarHBondContact O-N 3.05Å; Q66-V70 WeakPolarHBondContact CA-O 3.42Å; Q66-V70 PolarHBondContact N-O 2.88Å; Q66-V70 VanDerWaalsContact N-O 3.17Å
67R93.1Very high94.7Very high220 Ų22061.5 Ų61.583%0.8333%0.334SS*.Hα-helixtrans-68.3-28173.6-64175.8-178.8178.21.1112.2V64 S65 G69V64-R67 WeakPolarHBondContact O-CB 3.31Å; V64-R67 PolarHBondContact O-N 3.1Å; S65-R67 VanDerWaalsContact C-N 3.3Å; S65-R67 PolarHBondContact O-N 3.16Å; R67-G69 PolarHBondContact O-N 2.79Å
68L90.7Very high94.6Very high40 Ų4064.4 Ų64.421%0.20934%0.341CS..THydrogen-bonded Turntrans-82.49.7170.9-56.9-173.6000112.8H36 S40 R44 V64 S65 Q66H36-L68 HydrophobicContact CB-CD1 4.35Å; S40-L68 VanDerWaalsContact OG-CD1 3.27Å; S40-L68 WeakPolarHBondContact OG-CD1 3.14Å; R44-L68 PolarHBondContact NH2-O 2.8Å; V64-L68 HydrophobicContact CG1-CD1 4.48Å; V64-L68 PolarHBondContact O-N 2.96Å; V64-L68 VanDerWaalsContact O-N 3.11Å; S65-L68 CarbonylContact O-C 3.01Å; S65-L68 VanDerWaalsContact O-C 3.24Å; S65-L68 VanDerWaalsContact O-CA 3.3Å; S65-L68 WeakPolarHBondContact O-CA 3.15Å; S65-L68 WeakPolarHBondContact O-CB 3.14Å; S65-L68 PolarHBondContact O-N 2.91Å; Q66-L68 VanDerWaalsContact C-N 3.25Å; Q66-L68 PolarHBondContact O-N 2.96Å
69G92Very high94.4Very high58 Ų5864.3 Ų64.360%0.59835%0.35SS*.THydrogen-bonded Turntrans75.122.3175.500000114.7S65 Q66 R67S65-G69 PolarHBondContact O-N 2.96Å; S65-G69 VanDerWaalsContact O-N 3.1Å; Q66-G69 PolarHBondContact O-N 3.05Å; R67-G69 PolarHBondContact O-N 2.79Å
70V94.3Very high94.4Very high15 Ų1560.3 Ų60.39%0.09132%0.322CS..  trans-125.5128178.3-178.70000110L43 R44 S65 Q66 L72L43-V70 HydrophobicContact CB-CG1 3.88Å; L43-V70 HydrophobicContact CD1-CG1 3.62Å; L43-V70 HydrophobicContact CG-CG1 4.41Å; R44-V70 HydrophobicContact CG-CG2 3.88Å; S65-V70 CarbonylContact C-O 3.5Å; S65-V70 PolarHBondContact O-N 3.4Å; Q66-V70 WeakPolarHBondContact CA-O 3.42Å; Q66-V70 PolarHBondContact N-O 2.88Å; Q66-V70 VanDerWaalsContact N-O 3.17Å; V70-L72 HydrophobicContact CG1-CD2 4.44Å
71S96.4Very high94.5Very high27 Ų2757.2 Ų57.219%0.18931%0.307CS..  trans-95110.1176.1-177.30000111T73 Q74 A75S71-T73 VanDerWaalsContact C-N 3.3Å; S71-T73 PolarHBondContact O-N 3.37Å; S71-Q74 PolarHBondContact O-N 2.92Å; S71-Q74 PolarHBondContact OG-N 3.07Å; S71-A75 PolarHBondContact O-N 3.44Å
72L97Very high94.5Very high2 Ų259.2 Ų59.21%0.0132%0.319CS..Hα-helixtrans-67.1-32.5177.5-58.6-167.2000112.6L39 L43 F58 Y61 V70 A75 K76 L81L39-L72 HydrophobicContact CD1-CD2 4.46Å; L39-L72 HydrophobicContact CD2-CD1 3.96Å; L39-L72 HydrophobicContact CD2-CD2 3.94Å; L39-L72 HydrophobicContact CG-CD2 4.23Å; L43-L72 HydrophobicContact CD1-CD2 3.4Å; L43-L72 VanDerWaalsContact CD1-CD2 3.4Å; F58-L72 HydrophobicContact CE2-CB 3.83Å; F58-L72 HydrophobicContact CE2-CD1 4.44Å; F58-L72 HydrophobicContact CZ-CB 3.68Å; Y61-L72 VanDerWaalsContact C-CD1 3.46Å; V70-L72 HydrophobicContact CG1-CD2 4.44Å; L72-A75 PolarHBondContact O-N 3.14Å; L72-K76 WeakPolarHBondContact O-CB 3.23Å; L72-K76 PolarHBondContact O-N 3.09Å; L72-L81 HydrophobicContact CB-CD2 3.94Å; L72-L81 HydrophobicContact CD1-CD2 4.46Å; L72-L81 HydrophobicContact CD2-CD2 4.03Å; L72-L81 HydrophobicContact CG-CD2 4.36Å
73T97.1Very high94.6Very high74 Ų7459.4 Ų59.445%0.45432%0.315SS..Hα-helixtrans-60.9-48.5175.9-53.30000110.5S71 A75 K76 E77S71-T73 VanDerWaalsContact C-N 3.3Å; S71-T73 PolarHBondContact O-N 3.37Å; T73-A75 PolarHBondContact O-N 3.15Å; T73-K76 PolarHBondContact O-N 3.33Å; T73-E77 WeakPolarHBondContact O-CG 3.21Å; T73-E77 PolarHBondContact O-N 2.86Å
74Q95.7Very high94.6Very high112 Ų11257.2 Ų57.252%0.52330%0.295SS..Hα-helixtrans-64.3-42.2176.9-67177.520.900111.9S71 K76 E77 K78S71-Q74 PolarHBondContact O-N 2.92Å; S71-Q74 PolarHBondContact OG-N 3.07Å; Q74-K76 VanDerWaalsContact C-N 3.26Å; Q74-K76 PolarHBondContact O-N 3.24Å; Q74-E77 PolarHBondContact O-N 3.18Å; Q74-K78 WeakPolarHBondContact O-CB 3.46Å; Q74-K78 VanDerWaalsContact O-CG 3.27Å; Q74-K78 WeakPolarHBondContact O-CG 3.11Å; Q74-K78 PolarHBondContact O-N 2.95Å
75A95.6Very high94.6Very high4 Ų458 Ų583%0.03330%0.296CS..Hα-helixtrans-60.2-38.4176.500000111.7L43 S71 L72 T73 G79 Q80 L81L43-A75 HydrophobicContact CD1-CB 4.42Å; L43-A75 HydrophobicContact CD2-CB 3.95Å; S71-A75 PolarHBondContact O-N 3.44Å; L72-A75 PolarHBondContact O-N 3.14Å; T73-A75 PolarHBondContact O-N 3.15Å; A75-G79 PolarHBondContact O-N 3.48Å; A75-Q80 HydrophobicContact CB-CB 4.3Å; A75-Q80 WeakPolarHBondContact O-CA 3.41Å; A75-Q80 WeakPolarHBondContact O-CB 3.3Å; A75-Q80 PolarHBondContact O-N 2.96Å; A75-L81 HydrophobicContact CB-CB 3.81Å; A75-L81 HydrophobicContact CB-CD2 4.5Å; A75-L81 PolarHBondContact O-N 3.49Å
76K95Very high94.5Very high113 Ų11358.1 Ų58.149%0.49130%0.298SS..Hα-helixtrans-69.3-46.2176.1-174.5177.5178.8177.20112.2F58 L72 T73 Q74 K78 G79 L81F58-K76 HydrophobicContact CE2-CD 4.26Å; F58-K76 HydrophobicContact CZ-CD 4.34Å; L72-K76 WeakPolarHBondContact O-CB 3.23Å; L72-K76 PolarHBondContact O-N 3.09Å; T73-K76 PolarHBondContact O-N 3.33Å; Q74-K76 VanDerWaalsContact C-N 3.26Å; Q74-K76 PolarHBondContact O-N 3.24Å; K76-K78 VanDerWaalsContact C-N 3.26Å; K76-K78 PolarHBondContact O-N 3.21Å; K76-G79 PolarHBondContact O-N 3.11Å; K76-L81 WeakPolarHBondContact CA-O 3.05Å
77E93.7Very high94.2Very high150 Ų15057.3 Ų57.370%0.70130%0.297SS*.Hα-helixtrans-60.2-35.9177.9-74.5170175.200112.5T73 Q74 G79T73-E77 WeakPolarHBondContact O-CG 3.21Å; T73-E77 PolarHBondContact O-N 2.86Å; Q74-E77 PolarHBondContact O-N 3.18Å; E77-G79 PolarHBondContact O-N 2.69Å
78K91.9Very high94Very high104 Ų10453.3 Ų53.345%0.45229%0.285SS..THydrogen-bonded Turntrans-80-1.2175.8-65.6179.7174.6-159.70114.2Q74 K76 Q80 W140Q74-K78 WeakPolarHBondContact O-CB 3.46Å; Q74-K78 VanDerWaalsContact O-CG 3.27Å; Q74-K78 WeakPolarHBondContact O-CG 3.11Å; Q74-K78 PolarHBondContact O-N 2.95Å; K76-K78 VanDerWaalsContact C-N 3.26Å; K76-K78 PolarHBondContact O-N 3.21Å; K78-Q80 PolarHBondContact O-N 3.17Å; K78-W140 HydrophobicContact CB-CH2 4.28Å; K78-W140 HydrophobicContact CB-CZ2 3.88Å; K78-W140 HydrophobicContact CD-CH2 4.34Å
79G91.9Very high93.9Very high34 Ų3452.6 Ų52.635%0.35128%0.281SS..THydrogen-bonded Turntrans7010.8-17600000114.7A75 K76 E77A75-G79 PolarHBondContact O-N 3.48Å; K76-G79 PolarHBondContact O-N 3.11Å; E77-G79 PolarHBondContact O-N 2.69Å
80Q94.9Very high93.7Very high15 Ų1550.5 Ų50.57%0.0726%0.257CS..SBendtrans-70.4-38.2173.2-169.5-177.112.900111.2L43 C47 K48 V49 A75 K78 W140L43-Q80 HydrophobicContact CD2-CG 3.98Å; L43-Q80 PolarHBondContact O-NE2 3.4Å; C47-Q80 WeakPolarHBondContact O-CG 3.24Å; C47-Q80 PolarHBondContact O-NE2 3.46Å; K48-Q80 CarbonylContact C-O 3.43Å; K48-Q80 WeakPolarHBondContact CA-O 2.99Å; V49-Q80 PolarHBondContact N-O 3.23Å; A75-Q80 HydrophobicContact CB-CB 4.3Å; A75-Q80 WeakPolarHBondContact O-CA 3.41Å; A75-Q80 WeakPolarHBondContact O-CB 3.3Å; A75-Q80 PolarHBondContact O-N 2.96Å; K78-Q80 PolarHBondContact O-N 3.17Å; Q80-W140 HydrophobicContact CB-CD2 3.97Å; Q80-W140 HydrophobicContact CB-CE3 4.12Å; Q80-W140 HydrophobicContact CB-CH2 3.78Å; Q80-W140 HydrophobicContact CB-CZ2 3.62Å; Q80-W140 HydrophobicContact CB-CZ3 4.01Å; Q80-W140 VanDerWaalsContact CD-CZ3 3.48Å; Q80-W140 HydrophobicContact CG-CD2 3.8Å; Q80-W140 HydrophobicContact CG-CE3 3.62Å; Q80-W140 HydrophobicContact CG-CH2 4.05Å; Q80-W140 HydrophobicContact CG-CZ2 4.22Å; Q80-W140 HydrophobicContact CG-CZ3 3.73Å
81L96.8Very high93.3Very high3 Ų354.7 Ų54.72%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-114.4121.6-177176.465.7000111.2L39 L43 V49 F51 F58 L72 A75 K76 F83L39-L81 HydrophobicContact CD1-CD1 4.35Å; L43-L81 HydrophobicContact CD2-CB 4.36Å; V49-L81 HydrophobicContact CB-CD1 3.95Å; V49-L81 HydrophobicContact CG1-CD1 3.91Å; V49-L81 CarbonylContact O-C 3.44Å; V49-L81 WeakPolarHBondContact O-CA 3.48Å; F51-L81 HydrophobicContact CB-CD1 3.96Å; F58-L81 HydrophobicContact CE2-CD2 4.13Å; L72-L81 HydrophobicContact CB-CD2 3.94Å; L72-L81 HydrophobicContact CD1-CD2 4.46Å; L72-L81 HydrophobicContact CD2-CD2 4.03Å; L72-L81 HydrophobicContact CG-CD2 4.36Å; A75-L81 HydrophobicContact CB-CB 3.81Å; A75-L81 HydrophobicContact CB-CD2 4.5Å; A75-L81 PolarHBondContact O-N 3.49Å; K76-L81 WeakPolarHBondContact CA-O 3.05Å; L81-F83 HydrophobicContact CG-CB 4.45Å
82V96.4Very high92.8Very high43 Ų4353.9 Ų53.926%0.26127%0.272SS..EExtended strand (participates in β ladder)trans-102.2114.6163.1-178.10000107.4V49 C50 F51 F122V49-V82 PolarHBondContact O-N 3.27Å; C50-V82 CarbonylContact C-O 3.55Å; C50-V82 WeakPolarHBondContact CA-O 3.33Å; F51-V82 PolarHBondContact N-O 3.28Å; V82-F122 HydrophobicContact CG1-CZ 4.07Å
83F96.7Very high92.2Very high22 Ų2254 Ų5410%0.09627%0.273CS..EExtended strand (participates in β ladder)trans-108.9124.7178.9-169.8-83.9000110.5F51 F58 Y61 L81 E85F51-F83 HydrophobicContact CB-CD2 3.95Å; F51-F83 HydrophobicContact CB-CE2 4.45Å; F51-F83 AromaticContact CD1-CD2 3.55Å; F51-F83 HydrophobicContact CD1-CD2 3.55Å; F51-F83 AromaticContact CD1-CE2 3.39Å; F51-F83 HydrophobicContact CD1-CE2 3.39Å; F51-F83 HydrophobicContact CE1-CD2 4.29Å; F51-F83 AromaticContact CE1-CE2 3.67Å; F51-F83 HydrophobicContact CE1-CE2 3.67Å; F51-F83 AromaticContact CG-CD2 3.92Å; F51-F83 HydrophobicContact CG-CD2 3.92Å; F51-F83 AromaticContact CG-CE2 3.93Å; F51-F83 HydrophobicContact CG-CE2 3.93Å; F51-F83 HydrophobicContact CZ-CE2 4.45Å; F51-F83 WeakPolarHBondContact O-CA 3.45Å; F58-F83 HydrophobicContact CB-CD1 3.9Å; F58-F83 HydrophobicContact CB-CE1 3.82Å; F58-F83 HydrophobicContact CB-CG 4.46Å; F58-F83 HydrophobicContact CB-CZ 4.31Å; F58-F83 HydrophobicContact CD2-CB 3.81Å; F58-F83 AromaticContact CD2-CD1 3.87Å; F58-F83 HydrophobicContact CD2-CD1 3.87Å; F58-F83 AromaticContact CD2-CD2 3.93Å; F58-F83 HydrophobicContact CD2-CD2 3.93Å; F58-F83 HydrophobicContact CD2-CE1 4.44Å; F58-F83 HydrophobicContact CD2-CE2 4.48Å; F58-F83 AromaticContact CD2-CG 3.6Å; F58-F83 HydrophobicContact CD2-CG 3.6Å; F58-F83 HydrophobicContact CE2-CB 4.2Å; F58-F83 HydrophobicContact CE2-CG 4.39Å; F58-F83 HydrophobicContact CG-CD1 4.38Å; Y61-F83 AromaticContact CD2-CE2 3.74Å; Y61-F83 HydrophobicContact CD2-CE2 3.74Å; Y61-F83 AromaticContact CD2-CZ 3.82Å; Y61-F83 HydrophobicContact CD2-CZ 3.82Å; Y61-F83 HydrophobicContact CE2-CE2 4.4Å; Y61-F83 HydrophobicContact CE2-CZ 4.36Å; Y61-F83 HydrophobicContact CG-CE2 4.37Å; L81-F83 HydrophobicContact CG-CB 4.45Å; F83-E85 HydrophobicContact CD1-CB 4.33Å; F83-E85 HydrophobicContact CE1-CB 4.01Å; F83-E85 HydrophobicContact CE1-CG 4.25Å
84F96.1Very high91.4Very high10 Ų1055.5 Ų55.54%0.04428%0.278CS..EExtended strand (participates in β ladder)trans-103.8130173.7176.5-101.6000110F51 L52 G53 L54 E89 A105 M106 L119 F122F51-F84 PolarHBondContact O-N 3.33Å; L52-F84 HydrophobicContact CB-CD1 4.45Å; L52-F84 HydrophobicContact CD2-CB 3.59Å; L52-F84 HydrophobicContact CD2-CD1 3.92Å; L52-F84 HydrophobicContact CD2-CG 3.98Å; G53-F84 WeakPolarHBondContact CA-O 3.38Å; G53-F84 PolarHBondContact N-O 3.36Å; L54-F84 HydrophobicContact CD2-CD1 4.4Å; L54-F84 HydrophobicContact CD2-CE1 4.1Å; F84-E89 HydrophobicContact CE2-CB 4.08Å; F84-E89 HydrophobicContact CE2-CG 4.04Å; F84-E89 HydrophobicContact CZ-CB 3.95Å; F84-E89 HydrophobicContact CZ-CG 4.1Å; F84-A105 HydrophobicContact CD2-CB 4.38Å; F84-A105 HydrophobicContact CE2-CB 3.53Å; F84-A105 HydrophobicContact CZ-CB 3.74Å; F84-M106 HydrophobicContact CE1-SD 3.99Å; F84-M106 HydrophobicContact CZ-CG 3.79Å; F84-M106 HydrophobicContact CZ-SD 3.82Å; F84-L119 HydrophobicContact CD1-CD1 4.4Å; F84-L119 HydrophobicContact CE1-CD1 3.99Å; F84-L119 HydrophobicContact CZ-CD1 4.29Å; F84-F122 HydrophobicContact CB-CE1 3.58Å; F84-F122 HydrophobicContact CB-CZ 3.77Å; F84-F122 HydrophobicContact CD2-CD1 4.33Å; F84-F122 AromaticContact CD2-CE1 3.95Å; F84-F122 HydrophobicContact CD2-CE1 3.95Å; F84-F122 HydrophobicContact CD2-CE2 4.25Å; F84-F122 AromaticContact CD2-CZ 3.89Å; F84-F122 HydrophobicContact CD2-CZ 3.89Å; F84-F122 HydrophobicContact CG-CD1 4.46Å; F84-F122 AromaticContact CG-CE1 3.92Å; F84-F122 HydrophobicContact CG-CE1 3.92Å; F84-F122 HydrophobicContact CG-CZ 4.18Å
85E93.5Very high90.9Very high57 Ų5755.4 Ų55.427%0.26628%0.28SS..EExtended strand (participates in β ladder)trans-110.788.6-174.8-163.7171.6-171.600109.5S57 F83 L87 K88 E89S57-E85 VanDerWaalsContact CB-OE1 3.3Å; S57-E85 WeakPolarHBondContact CB-OE1 3.4Å; F83-E85 HydrophobicContact CD1-CB 4.33Å; F83-E85 HydrophobicContact CE1-CB 4.01Å; F83-E85 HydrophobicContact CE1-CG 4.25Å; E85-L87 PolarHBondContact O-N 2.96Å; E85-K88 HydrophobicContact CB-CB 4.1Å; E85-K88 HydrophobicContact CG-CB 3.78Å; E85-K88 HydrophobicContact CG-CD 4.49Å; E85-K88 PolarHBondContact O-N 3.05Å; E85-K88 WeakPolarHBondContact OE2-CD 3.24Å; E85-E89 PolarHBondContact O-N 3.4Å
86G92.3Very high89.9Confident3 Ų359.5 Ų59.53%0.03131%0.307CS..Hα-helixtrans-61.2-42.8-169.100000113.8G53 K88 E89 C90G53-G86 PolarHBondContact O-N 2.87Å; G86-K88 VanDerWaalsContact C-N 3.32Å; G86-K88 PolarHBondContact O-N 3.29Å; G86-E89 PolarHBondContact O-N 3.39Å; G86-C90 VanDerWaalsContact O-CB 3.24Å; G86-C90 WeakPolarHBondContact O-CB 3.4Å; G86-C90 PolarHBondContact O-N 3.4Å
87L87.3Confident88.7Confident98 Ų9861.5 Ų61.551%0.51332%0.315SS..Hα-helixtrans-63.1-38.7177.1-65.5-178000112.5L54 A55 E85 L91L54-L87 WeakPolarHBondContact O-CD2 3.36Å; L54-L87 VanDerWaalsContact O-CG 3.29Å; L54-L87 WeakPolarHBondContact O-CG 3.24Å; A55-L87 WeakPolarHBondContact O-CD1 3.33Å; E85-L87 PolarHBondContact O-N 2.96Å; L87-L91 PolarHBondContact O-N 3.41Å; L87-L91 VanDerWaalsContact O-N 3.08Å
88K89.1Confident86.9Confident136 Ų13663.7 Ų63.759%0.59133%0.326SS*.Hα-helixtrans-69.1-40.9178.7-176.4-179.4176-176.30111.2E85 G86 L91 S92E85-K88 HydrophobicContact CB-CB 4.1Å; E85-K88 HydrophobicContact CG-CB 3.78Å; E85-K88 HydrophobicContact CG-CD 4.49Å; E85-K88 PolarHBondContact O-N 3.05Å; E85-K88 WeakPolarHBondContact OE2-CD 3.24Å; G86-K88 VanDerWaalsContact C-N 3.32Å; G86-K88 PolarHBondContact O-N 3.29Å; K88-L91 PolarHBondContact O-N 3.46Å; K88-S92 PolarHBondContact O-N 3.35Å; K88-S92 VanDerWaalsContact O-N 3.08Å
89E88.8Confident85.1Confident24 Ų2466.2 Ų66.211%0.11234%0.344CS..Hα-helixtrans-72.2-36177.1-167.470172.700112.1F84 E85 G86 L91 S92 V93 S103 M106F84-E89 HydrophobicContact CE2-CB 4.08Å; F84-E89 HydrophobicContact CE2-CG 4.04Å; F84-E89 HydrophobicContact CZ-CB 3.95Å; F84-E89 HydrophobicContact CZ-CG 4.1Å; E85-E89 PolarHBondContact O-N 3.4Å; G86-E89 PolarHBondContact O-N 3.39Å; E89-L91 VanDerWaalsContact C-N 3.3Å; E89-L91 PolarHBondContact O-N 3.18Å; E89-S92 WeakPolarHBondContact CA-OG 3.37Å; E89-S92 PolarHBondContact O-N 3.22Å; E89-S92 PolarHBondContact O-OG 2.89Å; E89-S92 PolarHBondContact OE2-OG 2.88Å; E89-V93 WeakPolarHBondContact O-CG2 3.24Å; E89-V93 PolarHBondContact O-N 2.94Å; E89-S103 WeakPolarHBondContact OE1-CB 3.19Å; E89-S103 PolarHBondContact OE1-N 2.9Å; E89-M106 HydrophobicContact CB-CG 3.8Å; E89-M106 HydrophobicContact CG-CB 4.1Å; E89-M106 HydrophobicContact CG-CG 3.6Å
90C87.3Confident83.4Confident14 Ų1468.8 Ų68.810%0.09535%0.35CS..Hα-helixtrans-57.4-46.3171-179.60000110.6G86 S92 V93 L94 M106 L109G86-C90 VanDerWaalsContact O-CB 3.24Å; G86-C90 WeakPolarHBondContact O-CB 3.4Å; G86-C90 PolarHBondContact O-N 3.4Å; C90-S92 PolarHBondContact O-N 3.09Å; C90-V93 PolarHBondContact O-N 3.13Å; C90-L94 WeakPolarHBondContact O-CG 3.43Å; C90-L94 PolarHBondContact O-N 2.99Å; C90-M106 HydrophobicContact CB-CE 4.26Å; C90-L109 HydrophobicContact CB-CD1 4.02Å; C90-L109 WeakPolarHBondContact SG-CD1 3.36Å
91L85.6Confident81.5Confident104 Ų10473 Ų7355%0.54539%0.387SS..Hα-helixtrans-64.5-37.4177.7-167.669.1000112.7L87 K88 E89 V93 L95L87-L91 PolarHBondContact O-N 3.41Å; L87-L91 VanDerWaalsContact O-N 3.08Å; K88-L91 PolarHBondContact O-N 3.46Å; E89-L91 VanDerWaalsContact C-N 3.3Å; E89-L91 PolarHBondContact O-N 3.18Å; L91-V93 VanDerWaalsContact C-N 3.34Å; L91-L95 HydrophobicContact CD1-CD1 3.67Å; L91-L95 HydrophobicContact CD1-CG 4.31Å; L91-L95 HydrophobicContact CG-CD1 4.32Å; L91-L95 WeakPolarHBondContact O-CA 3.29Å; L91-L95 WeakPolarHBondContact O-CB 3.49Å; L91-L95 PolarHBondContact O-N 2.97Å
92S85.2Confident79.8Confident9 Ų977 Ų776%0.06341%0.405CS..Hα-helixtrans-67.1-36.4177.466.70000111.9K88 E89 C90 L95 P96K88-S92 PolarHBondContact O-N 3.35Å; K88-S92 VanDerWaalsContact O-N 3.08Å; E89-S92 WeakPolarHBondContact CA-OG 3.37Å; E89-S92 PolarHBondContact O-N 3.22Å; E89-S92 PolarHBondContact O-OG 2.89Å; E89-S92 PolarHBondContact OE2-OG 2.88Å; C90-S92 PolarHBondContact O-N 3.09Å; S92-L95 CarbonylContact O-C 3.59Å; S92-P96 WeakPolarHBondContact O-CA 3.39Å
93V85.1Confident78.6Confident4 Ų477.5 Ų77.52%0.02441%0.411CS..Hα-helixtrans-69.3-42.8176.5173.40000111.7E89 C90 L91 M106 L109 R110E89-V93 WeakPolarHBondContact O-CG2 3.24Å; E89-V93 PolarHBondContact O-N 2.94Å; C90-V93 PolarHBondContact O-N 3.13Å; L91-V93 VanDerWaalsContact C-N 3.34Å; V93-M106 HydrophobicContact CG2-CB 4.12Å; V93-L109 HydrophobicContact CB-CD1 4.43Å; V93-L109 HydrophobicContact CG1-CB 4.03Å; V93-L109 HydrophobicContact CG1-CD1 4.34Å; V93-R110 HydrophobicContact CG1-CG 3.67Å; V93-R110 PolarHBondContact O-NE 2.84Å; V93-R110 PolarHBondContact O-NH2 3.07Å
94L81.6Confident77.9Confident107 Ų10777.1 Ų77.156%0.5641%0.413SS*.Hα-helixtrans-77.7-31.8-179.2-65.7176000113.2C90C90-L94 WeakPolarHBondContact O-CG 3.43Å; C90-L94 PolarHBondContact O-N 2.99Å
95L83.8Confident77.6Confident109 Ų10976.6 Ų76.657%0.57141%0.411SS*.SBendtrans-124.378.8178.3-59.8177.2000109.8L91 S92 K97L91-L95 HydrophobicContact CD1-CD1 3.67Å; L91-L95 HydrophobicContact CD1-CG 4.31Å; L91-L95 HydrophobicContact CG-CD1 4.32Å; L91-L95 WeakPolarHBondContact O-CA 3.29Å; L91-L95 WeakPolarHBondContact O-CB 3.49Å; L91-L95 PolarHBondContact O-N 2.97Å; S92-L95 CarbonylContact O-C 3.59Å; L95-K97 PolarHBondContact O-N 3.18Å; L95-K97 VanDerWaalsContact O-N 3.14Å
96P75.1Confident77.4Confident90 Ų9074 Ų7458%0.58440%0.398SS*.  trans-60.3120.8-178.2-9.118.7000109.8S92S92-P96 WeakPolarHBondContact O-CA 3.39Å
97K70.7Confident77.2Confident155 Ų15576.6 Ų76.667%0.67441%0.412SS*.  trans-107.3139.6167.1-69.6-178.4179.2178.20107.7L95 N99 N100L95-K97 PolarHBondContact O-N 3.18Å; L95-K97 VanDerWaalsContact O-N 3.14Å; K97-N99 PolarHBondContact O-N 2.87Å; K97-N100 PolarHBondContact O-N 2.8Å
98E55.6Low77.3Confident197 Ų19772.2 Ų72.292%0.92139%0.389SS*.THydrogen-bonded Turntrans-58-5.2-170-65.4-175153.900116.4
99N53.3Low77.3Confident156 Ų15667.7 Ų67.783%0.83437%0.37SS*.THydrogen-bonded Turntrans-129.711.5-169.4-74.3-29.5000116.1K97K97-N99 PolarHBondContact O-N 2.87Å
100N57.3Low77.1Confident89 Ų8972.6 Ų72.648%0.47639%0.388SS..  trans-89.6126.3177.5-74.1-19.9000110.7K97 E102K97-N100 PolarHBondContact O-N 2.8Å; N100-E102 PolarHBondContact O-N 3.49Å
101A53.4Low77Confident102 Ų10275.9 Ų75.984%0.84341%0.405SS*.  trans-66.298.2165.300000107.8S103A101-S103 PolarHBondContact O-N 2.95Å
102E61.8Low76.8Confident88 Ų8875.3 Ų75.341%0.41141%0.407SS..  trans-69.5122.3178.7-61.9-173.116700108.4N100 G104 R110N100-E102 PolarHBondContact O-N 3.49Å; E102-G104 PolarHBondContact O-N 3.35Å; E102-R110 IonicContact OE1-NH1 3.56Å; E102-R110 IonicContact OE1-NH2 3.89Å; E102-R110 IonicContact OE2-NH1 3.37Å
103S71.1Confident76.7Confident54 Ų5480.5 Ų80.538%0.37844%0.441SS..  trans-68.7-18.3170.7177.10000110.8E89 A101 A105 F122E89-S103 WeakPolarHBondContact OE1-CB 3.19Å; E89-S103 PolarHBondContact OE1-N 2.9Å; A101-S103 PolarHBondContact O-N 2.95Å; S103-A105 PolarHBondContact O-N 2.8Å; S103-F122 WeakPolarHBondContact OG-CD2 3.34Å
104G82.9Confident76.5Confident13 Ų1383.2 Ų83.213%0.13446%0.457CS..  trans67.40.4-174.500000113.7E102 M106 N107 S118E102-G104 PolarHBondContact O-N 3.35Å; G104-M106 PolarHBondContact O-N 3.46Å; G104-N107 WeakPolarHBondContact CA-ND2 3.32Å; G104-N107 VanDerWaalsContact O-CB 3.23Å; G104-N107 WeakPolarHBondContact O-CB 3.4Å; G104-N107 PolarHBondContact O-N 2.99Å; G104-N107 VanDerWaalsContact O-N 3.09Å; G104-N107 PolarHBondContact O-ND2 3.08Å; G104-S118 WeakPolarHBondContact O-CB 3.35Å
105A89.1Confident76.8Confident0 Ų078.9 Ų78.90%044%0.438CS..THydrogen-bonded Turntrans-63.6-30.4-174.500000112.5F84 S103 L119 F122F84-A105 HydrophobicContact CD2-CB 4.38Å; F84-A105 HydrophobicContact CE2-CB 3.53Å; F84-A105 HydrophobicContact CZ-CB 3.74Å; S103-A105 PolarHBondContact O-N 2.8Å; A105-L119 HydrophobicContact CB-CD1 4.08Å; A105-L119 PolarHBondContact O-N 3.47Å; A105-F122 HydrophobicContact CB-CB 3.9Å; A105-F122 HydrophobicContact CB-CG 4.14Å
106M89.9Confident77.4Confident1 Ų174 Ų741%0.00541%0.413CS..THydrogen-bonded Turntrans-97.318.9177.5-54.7-64-77.600113.4F84 E89 C90 V93 G104 F108 L109 L156F84-M106 HydrophobicContact CE1-SD 3.99Å; F84-M106 HydrophobicContact CZ-CG 3.79Å; F84-M106 HydrophobicContact CZ-SD 3.82Å; E89-M106 HydrophobicContact CB-CG 3.8Å; E89-M106 HydrophobicContact CG-CB 4.1Å; E89-M106 HydrophobicContact CG-CG 3.6Å; C90-M106 HydrophobicContact CB-CE 4.26Å; V93-M106 HydrophobicContact CG2-CB 4.12Å; G104-M106 PolarHBondContact O-N 3.46Å; M106-F108 HydrophobicContact CB-CE1 4.25Å; M106-F108 HydrophobicContact CE-CE1 3.85Å; M106-F108 HydrophobicContact CE-CE2 4.47Å; M106-F108 HydrophobicContact CE-CZ 3.45Å; M106-F108 VanDerWaalsContact CE-CZ 3.45Å; M106-F108 PolarHBondContact O-N 2.69Å; M106-F108 HydrophobicContact SD-CE1 3.55Å; M106-F108 VanDerWaalsContact SD-CE1 3.55Å; M106-F108 HydrophobicContact SD-CZ 3.82Å; M106-L109 HydrophobicContact CB-CD1 4.02Å; M106-L109 HydrophobicContact CB-CG 4.5Å; M106-L109 HydrophobicContact CE-CD1 4.35Å; M106-L109 WeakPolarHBondContact O-CB 3.49Å; M106-L109 WeakPolarHBondContact O-CG 3.45Å; M106-L109 PolarHBondContact O-N 2.9Å; M106-L156 HydrophobicContact CE-CD1 3.68Å
107N87.4Confident78.3Confident58 Ų5877.3 Ų77.331%0.3141%0.413SS..G310 helixtrans-60.6-19.5-178.6-79.6-12.1000113.9G104 L109 R110 D111G104-N107 WeakPolarHBondContact CA-ND2 3.32Å; G104-N107 VanDerWaalsContact O-CB 3.23Å; G104-N107 WeakPolarHBondContact O-CB 3.4Å; G104-N107 PolarHBondContact O-N 2.99Å; G104-N107 VanDerWaalsContact O-N 3.09Å; G104-N107 PolarHBondContact O-ND2 3.08Å; N107-L109 PolarHBondContact O-N 2.94Å; N107-L109 VanDerWaalsContact O-N 3.12Å; N107-R110 PolarHBondContact O-N 2.83Å; N107-D111 PolarHBondContact O-N 2.77Å
108F88.8Confident79.4Confident7 Ų771 Ų713%0.03139%0.389CS..G310 helixtrans-57.8-22172.868.5-99.4000113.4M106 R110 D111 P112 G115 L116 L153 L156 V158M106-F108 HydrophobicContact CB-CE1 4.25Å; M106-F108 HydrophobicContact CE-CE1 3.85Å; M106-F108 HydrophobicContact CE-CE2 4.47Å; M106-F108 HydrophobicContact CE-CZ 3.45Å; M106-F108 VanDerWaalsContact CE-CZ 3.45Å; M106-F108 PolarHBondContact O-N 2.69Å; M106-F108 HydrophobicContact SD-CE1 3.55Å; M106-F108 VanDerWaalsContact SD-CE1 3.55Å; M106-F108 HydrophobicContact SD-CZ 3.82Å; F108-R110 VanDerWaalsContact C-N 3.28Å; F108-R110 PolarHBondContact O-N 3.3Å; F108-D111 CarbonylContact O-C 3.4Å; F108-P112 VanDerWaalsContact O-CA 3.28Å; F108-P112 WeakPolarHBondContact O-CA 3.32Å; F108-P112 VanDerWaalsContact O-N 3.16Å; F108-G115 VanDerWaalsContact CB-O 3.27Å; F108-G115 WeakPolarHBondContact CB-O 3.49Å; F108-L116 HydrophobicContact CD1-CD2 3.7Å; F108-L116 HydrophobicContact CD2-CD2 4.38Å; F108-L116 HydrophobicContact CE1-CD2 3.67Å; F108-L116 HydrophobicContact CE2-CD2 4.37Å; F108-L116 HydrophobicContact CG-CD2 4.06Å; F108-L116 HydrophobicContact CZ-CD2 4.02Å; F108-L153 HydrophobicContact CZ-CD2 3.92Å; F108-L156 HydrophobicContact CE2-CB 4.47Å; F108-L156 HydrophobicContact CZ-CD1 4.36Å; F108-V158 HydrophobicContact CD2-CG2 3.61Å; F108-V158 HydrophobicContact CE2-CG2 3.39Å; F108-V158 HydrophobicContact CZ-CG2 4.22Å
109L88.8Confident81.3Confident40 Ų4061.6 Ų61.621%0.20935%0.345CS..G310 helixtrans-68.7-27.3173.9-63.8173.3000112.6C90 V93 M106 N107 L156C90-L109 HydrophobicContact CB-CD1 4.02Å; C90-L109 WeakPolarHBondContact SG-CD1 3.36Å; V93-L109 HydrophobicContact CB-CD1 4.43Å; V93-L109 HydrophobicContact CG1-CB 4.03Å; V93-L109 HydrophobicContact CG1-CD1 4.34Å; M106-L109 HydrophobicContact CB-CD1 4.02Å; M106-L109 HydrophobicContact CB-CG 4.5Å; M106-L109 HydrophobicContact CE-CD1 4.35Å; M106-L109 WeakPolarHBondContact O-CB 3.49Å; M106-L109 WeakPolarHBondContact O-CG 3.45Å; M106-L109 PolarHBondContact O-N 2.9Å; N107-L109 PolarHBondContact O-N 2.94Å; N107-L109 VanDerWaalsContact O-N 3.12Å; L109-L156 HydrophobicContact CD2-CB 4.14Å; L109-L156 HydrophobicContact CD2-CD2 4.33Å
110R86.4Confident83.4Confident128 Ų12856.3 Ų56.348%0.48331%0.314SS..THydrogen-bonded Turntrans-95.2-31.6176.2-69.3-178.7-178.8159.95.6112.2V93 E102 N107 F108V93-R110 HydrophobicContact CG1-CG 3.67Å; V93-R110 PolarHBondContact O-NE 2.84Å; V93-R110 PolarHBondContact O-NH2 3.07Å; E102-R110 IonicContact OE1-NH1 3.56Å; E102-R110 IonicContact OE1-NH2 3.89Å; E102-R110 IonicContact OE2-NH1 3.37Å; N107-R110 PolarHBondContact O-N 2.83Å; F108-R110 VanDerWaalsContact C-N 3.28Å; F108-R110 PolarHBondContact O-N 3.3Å
111D84.8Confident85.2Confident83 Ų8355.7 Ų55.744%0.44431%0.308SS..  trans-131.575.5-179.1-166.32.2000111.2N107 F108 P113 V114N107-D111 PolarHBondContact O-N 2.77Å; F108-D111 CarbonylContact O-C 3.4Å; D111-P113 VanDerWaalsContact C-N 3.34Å; D111-P113 WeakPolarHBondContact OD1-CD 3.31Å; D111-V114 HydrophobicContact CB-CG2 4.11Å; D111-V114 VanDerWaalsContact CG-CG2 3.47Å; D111-V114 WeakPolarHBondContact O-CB 3.4Å; D111-V114 PolarHBondContact O-N 2.89Å; D111-V114 VanDerWaalsContact O-N 3.11Å; D111-V114 WeakPolarHBondContact OD2-CG2 3.29Å
112P80.8Confident87.1Confident91 Ų9152.5 Ų52.559%0.59128%0.275SS*.G310 helixtrans-54.5-36.7-176.5-24.232.9000115.4F108 V114 G115F108-P112 VanDerWaalsContact O-CA 3.28Å; F108-P112 WeakPolarHBondContact O-CA 3.32Å; F108-P112 VanDerWaalsContact O-N 3.16Å; P112-V114 PolarHBondContact O-N 2.83Å; P112-V114 VanDerWaalsContact O-N 3.12Å; P112-G115 PolarHBondContact O-N 2.88Å
113P82.6Confident88.8Confident119 Ų11948.3 Ų48.377%0.77326%0.256SS*.G310 helixtrans-57.7-23.2176.3-27.835.1000115.5D111 G115D111-P113 VanDerWaalsContact C-N 3.34Å; D111-P113 WeakPolarHBondContact OD1-CD 3.31Å; P113-G115 PolarHBondContact O-N 2.84Å
114V81.4Confident89.9Confident60 Ų6051.5 Ų51.536%0.36426%0.259SS..G310 helixtrans-71.9-18.6176176.30000111.6D111 P112 R117D111-V114 HydrophobicContact CB-CG2 4.11Å; D111-V114 VanDerWaalsContact CG-CG2 3.47Å; D111-V114 WeakPolarHBondContact O-CB 3.4Å; D111-V114 PolarHBondContact O-N 2.89Å; D111-V114 VanDerWaalsContact O-N 3.11Å; D111-V114 WeakPolarHBondContact OD2-CG2 3.29Å; P112-V114 PolarHBondContact O-N 2.83Å; P112-V114 VanDerWaalsContact O-N 3.12Å; V114-R117 HydrophobicContact CG1-CB 4.09Å; V114-R117 WeakPolarHBondContact O-CB 3.35Å
115G88.4Confident90.4Very high16 Ų1654.6 Ų54.617%0.16528%0.279CS..THydrogen-bonded Turntrans57.9-155.2-17700000112.1F108 P112 P113 R117F108-G115 VanDerWaalsContact CB-O 3.27Å; F108-G115 WeakPolarHBondContact CB-O 3.49Å; P112-G115 PolarHBondContact O-N 2.88Å; P113-G115 PolarHBondContact O-N 2.84Å; G115-R117 PolarHBondContact O-N 3.25Å
116L95.4Very high90.5Very high8 Ų855.5 Ų55.54%0.04229%0.285CS..THydrogen-bonded Turntrans-80.319.5-175.6-63.8177.3000114.3F108 S118 L119 Y120 L153 V158 V163 F166F108-L116 HydrophobicContact CD1-CD2 3.7Å; F108-L116 HydrophobicContact CD2-CD2 4.38Å; F108-L116 HydrophobicContact CE1-CD2 3.67Å; F108-L116 HydrophobicContact CE2-CD2 4.37Å; F108-L116 HydrophobicContact CG-CD2 4.06Å; F108-L116 HydrophobicContact CZ-CD2 4.02Å; L116-S118 PolarHBondContact O-N 2.8Å; L116-L119 HydrophobicContact CD2-CD2 4.33Å; L116-L119 PolarHBondContact O-N 2.99Å; L116-Y120 PolarHBondContact O-N 2.87Å; L116-L153 HydrophobicContact CD1-CD1 3.7Å; L116-L153 HydrophobicContact CD2-CD1 4.23Å; L116-L153 HydrophobicContact CD2-CD2 4.34Å; L116-V158 HydrophobicContact CD1-CG1 4.08Å; L116-V158 HydrophobicContact CD2-CG1 4.12Å; L116-V158 HydrophobicContact CD2-CG2 4.19Å; L116-V158 HydrophobicContact CG-CG1 3.94Å; L116-V163 HydrophobicContact CD1-CB 4.44Å; L116-V163 HydrophobicContact CD1-CG2 4.12Å; L116-F166 HydrophobicContact CB-CB 3.9Å; L116-F166 HydrophobicContact CB-CD2 4.04Å; L116-F166 HydrophobicContact CB-CG 4.18Å; L116-F166 HydrophobicContact CD1-CB 3.56Å; L116-F166 HydrophobicContact CD1-CD1 4.34Å; L116-F166 HydrophobicContact CD1-CD2 4.48Å; L116-F166 HydrophobicContact CD1-CG 3.89Å; L116-F166 HydrophobicContact CG-CB 4.41Å
117R94.5Very high90.4Very high158 Ų15855.6 Ų55.660%0.59629%0.286SS*.Hα-helixtrans-58.8-44.8-177.9-179.7176.9172170-0.8112.4V114 G115 L119 Y120 E121V114-R117 HydrophobicContact CG1-CB 4.09Å; V114-R117 WeakPolarHBondContact O-CB 3.35Å; G115-R117 PolarHBondContact O-N 3.25Å; R117-L119 VanDerWaalsContact C-N 3.33Å; R117-L119 PolarHBondContact O-N 3.42Å; R117-Y120 WeakPolarHBondContact O-CB 3.42Å; R117-Y120 PolarHBondContact O-N 3.01Å; R117-E121 HydrophobicContact CG-CG 4.43Å; R117-E121 IonicContact CZ-OE1 3.96Å; R117-E121 IonicContact NE-OE1 2.63Å; R117-E121 PolarHBondContact NE-OE1 3.39Å; R117-E121 IonicContact NH2-OE1 3.59Å; R117-E121 PolarHBondContact NH2-OE1 3.47Å; R117-E121 WeakPolarHBondContact O-CG 3.47Å; R117-E121 PolarHBondContact O-N 2.89Å
118S93.2Very high90.2Very high23 Ų2357.2 Ų57.216%0.16129%0.294CS..Hα-helixtrans-65.9-35.9-179.8-55.60000112.4G104 L116 E121 F122G104-S118 WeakPolarHBondContact O-CB 3.35Å; L116-S118 PolarHBondContact O-N 2.8Å; S118-E121 PolarHBondContact O-N 3.37Å; S118-F122 PolarHBondContact O-N 3.5Å
119L95.8Very high89.1Confident0 Ų059.4 Ų59.40%032%0.318CS..Hα-helixtrans-66.3-42.3173.9-174.461000111.2L52 F84 A105 L116 R117 F122 V123 L153 F166L52-L119 HydrophobicContact CD1-CD1 4.25Å; L52-L119 HydrophobicContact CD1-CG 4.43Å; F84-L119 HydrophobicContact CD1-CD1 4.4Å; F84-L119 HydrophobicContact CE1-CD1 3.99Å; F84-L119 HydrophobicContact CZ-CD1 4.29Å; A105-L119 HydrophobicContact CB-CD1 4.08Å; A105-L119 PolarHBondContact O-N 3.47Å; L116-L119 HydrophobicContact CD2-CD2 4.33Å; L116-L119 PolarHBondContact O-N 2.99Å; R117-L119 VanDerWaalsContact C-N 3.33Å; R117-L119 PolarHBondContact O-N 3.42Å; L119-F122 WeakPolarHBondContact O-CB 3.46Å; L119-F122 PolarHBondContact O-N 3.38Å; L119-V123 WeakPolarHBondContact O-CG2 3.3Å; L119-V123 PolarHBondContact O-N 3.07Å; L119-L153 HydrophobicContact CD2-CD1 4.41Å; L119-F166 HydrophobicContact CB-CE2 4.19Å; L119-F166 HydrophobicContact CD2-CE1 4.48Å; L119-F166 HydrophobicContact CD2-CE2 3.96Å; L119-F166 HydrophobicContact CD2-CZ 3.92Å; L119-F166 HydrophobicContact CG-CE2 3.77Å; L119-F166 HydrophobicContact CG-CZ 4.02Å
120Y96.8Very high87.4Confident44 Ų4460 Ų6017%0.17333%0.326CS..Hα-helixtrans-61.8-43.5173.2169.4-105000112.2L116 R117 F122 V123 R124 L173L116-Y120 PolarHBondContact O-N 2.87Å; R117-Y120 WeakPolarHBondContact O-CB 3.42Å; R117-Y120 PolarHBondContact O-N 3.01Å; Y120-F122 VanDerWaalsContact C-N 3.29Å; Y120-F122 PolarHBondContact O-N 3.16Å; Y120-V123 PolarHBondContact O-N 3.05Å; Y120-R124 WeakPolarHBondContact O-CB 3.39Å; Y120-R124 PolarHBondContact O-N 3.24Å; Y120-L173 HydrophobicContact CE2-CB 4.36Å; Y120-L173 HydrophobicContact CE2-CD2 3.92Å
121E95.1Very high85.6Confident76 Ų7656.9 Ų56.936%0.35533%0.333SS..Hα-helixtrans-63.1-36.2177.4-75.4174.7-17900111.9R117 S118 R124 S125R117-E121 HydrophobicContact CG-CG 4.43Å; R117-E121 IonicContact CZ-OE1 3.96Å; R117-E121 IonicContact NE-OE1 2.63Å; R117-E121 PolarHBondContact NE-OE1 3.39Å; R117-E121 IonicContact NH2-OE1 3.59Å; R117-E121 PolarHBondContact NH2-OE1 3.47Å; R117-E121 WeakPolarHBondContact O-CG 3.47Å; R117-E121 PolarHBondContact O-N 2.89Å; S118-E121 PolarHBondContact O-N 3.37Å; E121-R124 PolarHBondContact O-N 3.36Å; E121-S125 VanDerWaalsContact O-CB 3.32Å; E121-S125 WeakPolarHBondContact O-CB 3.39Å; E121-S125 PolarHBondContact O-N 2.78Å; E121-S125 PolarHBondContact O-OG 3.47Å
122F94.9Very high83.7Confident36 Ų3656.8 Ų56.816%0.15834%0.339CS..Hα-helixtrans-61.2-49.8170.7169.5-92.2000112L52 V82 F84 S103 A105 S118 L119 Y120 R124 S125 S126L52-F122 HydrophobicContact CD2-CD1 4.08Å; L52-F122 HydrophobicContact CD2-CE1 3.76Å; V82-F122 HydrophobicContact CG1-CZ 4.07Å; F84-F122 HydrophobicContact CB-CE1 3.58Å; F84-F122 HydrophobicContact CB-CZ 3.77Å; F84-F122 HydrophobicContact CD2-CD1 4.33Å; F84-F122 AromaticContact CD2-CE1 3.95Å; F84-F122 HydrophobicContact CD2-CE1 3.95Å; F84-F122 HydrophobicContact CD2-CE2 4.25Å; F84-F122 AromaticContact CD2-CZ 3.89Å; F84-F122 HydrophobicContact CD2-CZ 3.89Å; F84-F122 HydrophobicContact CG-CD1 4.46Å; F84-F122 AromaticContact CG-CE1 3.92Å; F84-F122 HydrophobicContact CG-CE1 3.92Å; F84-F122 HydrophobicContact CG-CZ 4.18Å; S103-F122 WeakPolarHBondContact OG-CD2 3.34Å; A105-F122 HydrophobicContact CB-CB 3.9Å; A105-F122 HydrophobicContact CB-CG 4.14Å; S118-F122 PolarHBondContact O-N 3.5Å; L119-F122 WeakPolarHBondContact O-CB 3.46Å; L119-F122 PolarHBondContact O-N 3.38Å; Y120-F122 VanDerWaalsContact C-N 3.29Å; Y120-F122 PolarHBondContact O-N 3.16Å; F122-R124 VanDerWaalsContact C-N 3.35Å; F122-R124 PolarHBondContact O-N 3.34Å; F122-S125 PolarHBondContact O-N 2.87Å; F122-S126 WeakPolarHBondContact O-CB 3.46Å; F122-S126 PolarHBondContact O-N 3.48Å; F122-S126 PolarHBondContact O-OG 3.24Å
123V95.9Very high82.1Confident0 Ų061.6 Ų61.60%036%0.356CS..Hα-helixtrans-57.5-50.7176.6169.90000109.8L52 L119 Y120 S125 S126 M127 L145 F166L52-V123 HydrophobicContact CD1-CG2 3.84Å; L52-V123 HydrophobicContact CD2-CG2 4.16Å; L52-V123 HydrophobicContact CG-CG2 4.41Å; L119-V123 WeakPolarHBondContact O-CG2 3.3Å; L119-V123 PolarHBondContact O-N 3.07Å; Y120-V123 PolarHBondContact O-N 3.05Å; V123-S125 VanDerWaalsContact C-N 3.33Å; V123-S125 PolarHBondContact O-N 3.25Å; V123-S126 WeakPolarHBondContact O-CB 3.42Å; V123-S126 PolarHBondContact O-N 2.99Å; V123-M127 HydrophobicContact CG1-CG 4.43Å; V123-M127 VanDerWaalsContact O-CG 3.27Å; V123-M127 WeakPolarHBondContact O-CG 3.39Å; V123-M127 PolarHBondContact O-N 3.45Å; V123-L145 HydrophobicContact CG1-CD1 4.15Å; V123-L145 HydrophobicContact CG1-CD2 3.94Å; V123-L145 HydrophobicContact CG2-CD1 4.23Å; V123-F166 HydrophobicContact CG2-CE2 4.5Å; V123-F166 HydrophobicContact CG2-CZ 4.39Å
124R95.3Very high80.6Confident120 Ų12063 Ų6345%0.45335%0.352SS..Hα-helixtrans-56.9-46.7179.8178.8-179.1169.5-159.7-2.8111.8Y120 E121 F122 M127 I128 L173Y120-R124 WeakPolarHBondContact O-CB 3.39Å; Y120-R124 PolarHBondContact O-N 3.24Å; E121-R124 PolarHBondContact O-N 3.36Å; F122-R124 VanDerWaalsContact C-N 3.35Å; F122-R124 PolarHBondContact O-N 3.34Å; R124-M127 PolarHBondContact O-N 2.75Å; R124-I128 HydrophobicContact CG-CD1 3.49Å; R124-I128 VanDerWaalsContact CG-CD1 3.49Å; R124-I128 HydrophobicContact CG-CG1 4.27Å; R124-I128 WeakPolarHBondContact O-CB 3.45Å; R124-I128 VanDerWaalsContact O-CG1 3.28Å; R124-I128 WeakPolarHBondContact O-CG1 3.36Å; R124-I128 PolarHBondContact O-N 2.87Å; R124-L173 HydrophobicContact CB-CD2 3.76Å; R124-L173 HydrophobicContact CG-CD2 3.97Å
125S93.3Very high78.8Confident79 Ų7970.1 Ų70.155%0.55238%0.381SS*.Hα-helixtrans-65.3-40.3-179.9-57.60000111.8E121 F122 V123 M127 I128 G129E121-S125 VanDerWaalsContact O-CB 3.32Å; E121-S125 WeakPolarHBondContact O-CB 3.39Å; E121-S125 PolarHBondContact O-N 2.78Å; E121-S125 PolarHBondContact O-OG 3.47Å; F122-S125 PolarHBondContact O-N 2.87Å; V123-S125 VanDerWaalsContact C-N 3.33Å; V123-S125 PolarHBondContact O-N 3.25Å; S125-M127 VanDerWaalsContact C-N 3.27Å; S125-M127 PolarHBondContact O-N 3.29Å; S125-I128 PolarHBondContact O-N 3.33Å; S125-G129 PolarHBondContact O-N 3.29Å
126S91.5Very high77.2Confident18 Ų1873.2 Ų73.213%0.12641%0.413CS..Hα-helixtrans-62-34176.7-60.70000112.8F122 V123F122-S126 WeakPolarHBondContact O-CB 3.46Å; F122-S126 PolarHBondContact O-N 3.48Å; F122-S126 PolarHBondContact O-OG 3.24Å; V123-S126 WeakPolarHBondContact O-CB 3.42Å; V123-S126 PolarHBondContact O-N 2.99Å
127M87.2Confident75.6Confident4 Ų476 Ų762%0.0244%0.437CS..Hα-helixtrans-85.2-34.9179.5-60.2-59-166.800113.5C50 V123 R124 S125 S130 N143 V144 L145 V174 M178C50-M127 HydrophobicContact CB-CE 3.22Å; C50-M127 HydrophobicContact CB-SD 3.84Å; V123-M127 HydrophobicContact CG1-CG 4.43Å; V123-M127 VanDerWaalsContact O-CG 3.27Å; V123-M127 WeakPolarHBondContact O-CG 3.39Å; V123-M127 PolarHBondContact O-N 3.45Å; R124-M127 PolarHBondContact O-N 2.75Å; S125-M127 VanDerWaalsContact C-N 3.27Å; S125-M127 PolarHBondContact O-N 3.29Å; M127-S130 PolarHBondContact O-OG 2.98Å; M127-N143 HydrophobicContact SD-CB 3.82Å; M127-V144 WeakPolarHBondContact CE-O 3.46Å; M127-L145 HydrophobicContact CE-CB 3.79Å; M127-L145 HydrophobicContact CE-CD1 4.38Å; M127-V174 HydrophobicContact CE-CG2 4.33Å; M127-M178 HydrophobicContact CB-CE 3.67Å; M127-M178 HydrophobicContact CB-SD 3.89Å; M127-M178 HydrophobicContact CG-CE 3.91Å
128I83.3Confident74.4Confident92 Ų9273 Ų7347%0.47243%0.43SS..Hα-helixtrans-81.2-34.1-179.2-65.7176.2000111.9R124 S125 S130 G131R124-I128 HydrophobicContact CG-CD1 3.49Å; R124-I128 VanDerWaalsContact CG-CD1 3.49Å; R124-I128 HydrophobicContact CG-CG1 4.27Å; R124-I128 WeakPolarHBondContact O-CB 3.45Å; R124-I128 VanDerWaalsContact O-CG1 3.28Å; R124-I128 WeakPolarHBondContact O-CG1 3.36Å; R124-I128 PolarHBondContact O-N 2.87Å; S125-I128 PolarHBondContact O-N 3.33Å; I128-S130 PolarHBondContact O-N 2.87Å; I128-G131 PolarHBondContact O-N 3.42Å; I128-G131 VanDerWaalsContact O-N 3.07Å
129G65.5Low73.8Confident53 Ų5381.1 Ų81.155%0.54647%0.466SS..G310 helixtrans-60.6-1.3178.200000114.9S125 G131S125-G129 PolarHBondContact O-N 3.29Å; G129-G131 VanDerWaalsContact C-N 3.32Å
130S53.7Low73.6Confident53 Ų5383.2 Ų83.237%0.37147%0.474SS..G310 helixtrans-73.9-16.4170.9-31.70000114.7K48 M127 I128K48-S130 WeakPolarHBondContact CD-OG 3.32Å; K48-S130 WeakPolarHBondContact CE-OG 3.43Å; K48-S130 VanDerWaalsContact NZ-CB 3.34Å; K48-S130 PolarHBondContact NZ-OG 3.49Å; M127-S130 PolarHBondContact O-OG 2.98Å; I128-S130 PolarHBondContact O-N 2.87Å
131G48.3Very low73.3Confident61 Ų6182.7 Ų82.763%0.62948%0.481SS*.G310 helixtrans-84.8-2.1-168.800000115.6I128 G129 M133I128-G131 PolarHBondContact O-N 3.42Å; I128-G131 VanDerWaalsContact O-N 3.07Å; G129-G131 VanDerWaalsContact C-N 3.32Å; G131-M133 PolarHBondContact O-N 3.27Å
132S43.8Very low73.2Confident82 Ų8280.5 Ų80.557%0.57347%0.474SS*.  trans-7296.1174.551.40000109E134S132-E134 PolarHBondContact O-N 3.24Å
133M47.9Very low73.2Confident192 Ų19280 Ų8095%0.94647%0.473SS*.  trans-62.178.1168.3-67.5-163.7175.700109.7G131G131-M133 PolarHBondContact O-N 3.27Å
134E50.4Low73.3Confident148 Ų14880 Ų8069%0.69247%0.473SS*.  trans-78.1122.3156.8-66.8-169.2176.300107.1S132 G136 A137S132-E134 PolarHBondContact O-N 3.24Å; E134-G136 PolarHBondContact O-N 2.93Å; E134-A137 PolarHBondContact O-N 3.39Å; E134-A137 VanDerWaalsContact O-N 3.08Å
135E43.7Very low73.5Confident209 Ų20974.3 Ų74.398%0.97745%0.451SS*.THydrogen-bonded Turntrans-57.5105.3178.1-71.4-178.5162.700109.6
136G55.7Low73.7Confident81 Ų8170.6 Ų70.684%0.83543%0.425SS*.THydrogen-bonded Turntrans114.4-2.5-179.900000116E134E134-G136 PolarHBondContact O-N 2.93Å
137A62.7Low74Confident67 Ų6769.7 Ų69.755%0.55442%0.419SS*.  trans-66.1135.2172.300000111.2E134 Q139E134-A137 PolarHBondContact O-N 3.39Å; E134-A137 VanDerWaalsContact O-N 3.08Å; A137-Q139 PolarHBondContact O-N 3.47Å; A137-Q139 VanDerWaalsContact O-N 3.1Å
138E68Low74.5Confident96 Ų9669.6 Ų69.645%0.44942%0.418SS..  trans-56.5117.2175.1-76.5-172147.500109.3W140E138-W140 HydrophobicContact CB-CH2 4.34Å; E138-W140 HydrophobicContact CB-CZ2 3.92Å; E138-W140 PolarHBondContact O-N 3.42Å; E138-W140 WeakPolarHBondContact OE2-CH2 3.42Å; E138-W140 WeakPolarHBondContact OE2-CZ2 3.33Å
139Q81.6Confident75Confident192 Ų19265.7 Ų65.790%0.89740%0.398SS*.  trans-76.5109.3176.8-169.3170.827.400109.1A137A137-Q139 PolarHBondContact O-N 3.47Å; A137-Q139 VanDerWaalsContact O-N 3.1Å
140W90.1Very high76.4Confident45 Ų4563.1 Ų63.117%0.1737%0.372CS..  trans-75.8154.6173.5-58113.1000111.2K48 K78 Q80 E138K48-W140 HydrophobicContact CB-CB 3.87Å; K48-W140 HydrophobicContact CB-CG 4.29Å; K78-W140 HydrophobicContact CB-CH2 4.28Å; K78-W140 HydrophobicContact CB-CZ2 3.88Å; K78-W140 HydrophobicContact CD-CH2 4.34Å; Q80-W140 HydrophobicContact CB-CD2 3.97Å; Q80-W140 HydrophobicContact CB-CE3 4.12Å; Q80-W140 HydrophobicContact CB-CH2 3.78Å; Q80-W140 HydrophobicContact CB-CZ2 3.62Å; Q80-W140 HydrophobicContact CB-CZ3 4.01Å; Q80-W140 VanDerWaalsContact CD-CZ3 3.48Å; Q80-W140 HydrophobicContact CG-CD2 3.8Å; Q80-W140 HydrophobicContact CG-CE3 3.62Å; Q80-W140 HydrophobicContact CG-CH2 4.05Å; Q80-W140 HydrophobicContact CG-CZ2 4.22Å; Q80-W140 HydrophobicContact CG-CZ3 3.73Å; E138-W140 HydrophobicContact CB-CH2 4.34Å; E138-W140 HydrophobicContact CB-CZ2 3.92Å; E138-W140 PolarHBondContact O-N 3.42Å; E138-W140 WeakPolarHBondContact OE2-CH2 3.42Å; E138-W140 WeakPolarHBondContact OE2-CZ2 3.33Å
141G90.7Very high78.3Confident32 Ų3261.2 Ų61.233%0.3336%0.359SS..EExtended strand (participates in β ladder)trans-68.7-163.1169.700000112.6R46R46-G141 PolarHBondContact O-N 2.97Å
142P93.1Very high80.5Confident31 Ų3159.4 Ų59.420%0.20134%0.336CS..EExtended strand (participates in β ladder)trans-52.8152.5-177.4-25.433.7000113.8F16 Q18 C47 K48F16-P142 HydrophobicContact CZ-CG 4.28Å; Q18-P142 HydrophobicContact CG-CG 4.1Å; C47-P142 VanDerWaalsContact CB-O 3.29Å; C47-P142 WeakPolarHBondContact CB-O 3.44Å; K48-P142 PolarHBondContact N-O 3.47Å
143N95.4Very high82.9Confident26 Ų2655.5 Ų55.514%0.13931%0.308CS..EExtended strand (participates in β ladder)trans-73.5140.2175.2-72-63.2000110.6K48 M127 M178 G180 N181K48-N143 CarbonylContact O-C 3.58Å; K48-N143 WeakPolarHBondContact O-CA 3.08Å; M127-N143 HydrophobicContact SD-CB 3.82Å; N143-M178 HydrophobicContact CB-CE 4.39Å; N143-M178 HydrophobicContact CB-SD 4.48Å; N143-M178 PolarHBondContact ND2-SD 3.5Å; N143-G180 CarbonylContact O-C 3.55Å; N143-G180 WeakPolarHBondContact O-CA 3.35Å; N143-N181 PolarHBondContact O-N 2.97Å
144V98.1Very high85.1Confident0 Ų047.9 Ų47.90%027%0.271CS..EExtended strand (participates in β ladder)trans-129.7126.2178179.20000109.8Y42 C47 K48 V49 C50 M127 L146 N181Y42-V144 HydrophobicContact CD1-CG1 4.34Å; Y42-V144 HydrophobicContact CD1-CG2 3.58Å; Y42-V144 HydrophobicContact CD2-CG1 3.58Å; Y42-V144 HydrophobicContact CD2-CG2 4.33Å; Y42-V144 HydrophobicContact CE1-CG2 3.97Å; Y42-V144 HydrophobicContact CE2-CG1 3.86Å; Y42-V144 HydrophobicContact CG-CB 4.29Å; Y42-V144 HydrophobicContact CG-CG1 3.84Å; Y42-V144 HydrophobicContact CG-CG2 3.77Å; C47-V144 HydrophobicContact CB-CG2 3.74Å; K48-V144 PolarHBondContact O-N 3.43Å; V49-V144 CarbonylContact C-O 3.24Å; V49-V144 WeakPolarHBondContact CA-O 3.21Å; V49-V144 HydrophobicContact CG2-CB 4.33Å; C50-V144 PolarHBondContact N-O 2.91Å; M127-V144 WeakPolarHBondContact CE-O 3.46Å; V144-L146 HydrophobicContact CG1-CD2 3.94Å; V144-L146 HydrophobicContact CG1-CG 4.03Å; V144-N181 CarbonylContact C-O 3.53Å; V144-N181 WeakPolarHBondContact CA-O 3.3Å; V144-N181 HydrophobicContact CG2-CB 4.43Å
145L98.6Very high87Confident0 Ų045.9 Ų45.90%027%0.274CS..EExtended strand (participates in β ladder)trans-100.1121.2170.3177.258.1000109.6C50 L52 V123 M127 V147 C170 V174 N181 M182 V183 M184C50-L145 HydrophobicContact CB-CD1 4.33Å; C50-L145 WeakPolarHBondContact O-CA 3.46Å; L52-L145 HydrophobicContact CD1-CD1 4.33Å; L52-L145 HydrophobicContact CG-CD1 4.12Å; V123-L145 HydrophobicContact CG1-CD1 4.15Å; V123-L145 HydrophobicContact CG1-CD2 3.94Å; V123-L145 HydrophobicContact CG2-CD1 4.23Å; M127-L145 HydrophobicContact CE-CB 3.79Å; M127-L145 HydrophobicContact CE-CD1 4.38Å; L145-V147 HydrophobicContact CD1-CG2 4.31Å; L145-V147 HydrophobicContact CG-CG2 4.27Å; L145-C170 HydrophobicContact CD2-CB 3.71Å; L145-V174 HydrophobicContact CB-CG2 4.14Å; L145-V174 HydrophobicContact CD2-CG2 4.32Å; L145-N181 PolarHBondContact N-O 2.88Å; L145-M182 HydrophobicContact CD2-CE 3.63Å; L145-M182 CarbonylContact O-C 3.56Å; L145-M182 VanDerWaalsContact O-CA 3.29Å; L145-M182 WeakPolarHBondContact O-CA 3.38Å; L145-V183 PolarHBondContact O-N 3.24Å; L145-M184 HydrophobicContact CD2-CE 4.48Å
146L98.4Very high89.2Confident0 Ų038.8 Ų38.80%024%0.242CC..EExtended strand (participates in β ladder)trans-111.7137.1171.5-61.3177.8000109.2F38 L39 Y42 V49 C50 F51 L52 V144 V183F38-L146 HydrophobicContact CB-CD2 4.23Å; L39-L146 HydrophobicContact CB-CD1 3.86Å; L39-L146 HydrophobicContact CD1-CD1 3.77Å; L39-L146 HydrophobicContact CG-CD1 4.44Å; Y42-L146 HydrophobicContact CD2-CD2 4.34Å; Y42-L146 HydrophobicContact CE2-CD2 4.49Å; V49-L146 HydrophobicContact CG1-CD1 3.68Å; V49-L146 HydrophobicContact CG1-CG 4.04Å; C50-L146 PolarHBondContact O-N 3.29Å; F51-L146 WeakPolarHBondContact CA-O 3.27Å; F51-L146 HydrophobicContact CB-CB 4.34Å; F51-L146 HydrophobicContact CD2-CB 3.52Å; F51-L146 WeakPolarHBondContact CD2-O 3.43Å; F51-L146 HydrophobicContact CE2-CB 4Å; F51-L146 HydrophobicContact CG-CB 4.04Å; L52-L146 PolarHBondContact N-O 2.91Å; V144-L146 HydrophobicContact CG1-CD2 3.94Å; V144-L146 HydrophobicContact CG1-CG 4.03Å; L146-V183 CarbonylContact C-O 3.58Å; L146-V183 WeakPolarHBondContact CA-O 3.2Å; L146-V183 HydrophobicContact CD2-CB 3.48Å; L146-V183 VanDerWaalsContact CD2-CB 3.48Å; L146-V183 HydrophobicContact CD2-CG2 3.51Å
147V98.3Very high90.9Very high0 Ų038 Ų380%023%0.234CC..EExtended strand (participates in β ladder)trans-131.3120.9172.2-171.30000108.2L52 L54 L145 L150 V183 M184 L185L52-V147 HydrophobicContact CB-CG1 4.28Å; L52-V147 HydrophobicContact CB-CG2 4.26Å; L52-V147 HydrophobicContact CD1-CG2 4.03Å; L52-V147 HydrophobicContact CG-CG2 4.31Å; L54-V147 HydrophobicContact CD1-CG1 3.85Å; L54-V147 HydrophobicContact CG-CG1 4.42Å; L145-V147 HydrophobicContact CD1-CG2 4.31Å; L145-V147 HydrophobicContact CG-CG2 4.27Å; V147-L150 HydrophobicContact CG1-CB 4.42Å; V147-L150 HydrophobicContact CG1-CD1 4.14Å; V147-V183 PolarHBondContact N-O 3.11Å; V147-M184 HydrophobicContact CB-CB 4.38Å; V147-M184 HydrophobicContact CB-CG 3.97Å; V147-M184 HydrophobicContact CG2-CE 3.81Å; V147-M184 HydrophobicContact CG2-CG 3.91Å; V147-L185 PolarHBondContact O-N 3.17Å; V147-L185 VanDerWaalsContact O-N 3.07Å
148D96.1Very high92.3Very high1 Ų135.6 Ų35.61%0.00521%0.213CC..SBendtrans-82.1-26.5-170.370.4-18.5000116I35 F51 L52 L54 A55 Q56 Y61 L185I35-D148 HydrophobicContact CG2-CB 4.1Å; F51-D148 HydrophobicContact CE2-CB 3.76Å; F51-D148 HydrophobicContact CZ-CB 3.96Å; L52-D148 PolarHBondContact O-N 2.84Å; L52-D148 VanDerWaalsContact O-N 3.12Å; L54-D148 WeakPolarHBondContact CA-OD1 3.33Å; L54-D148 PolarHBondContact N-OD1 2.93Å; A55-D148 PolarHBondContact N-OD1 3.07Å; A55-D148 PolarHBondContact N-OD2 3.45Å; Q56-D148 PolarHBondContact N-OD2 2.65Å; Q56-D148 VanDerWaalsContact N-OD2 3.09Å; Y61-D148 HydrophobicContact CE2-CB 4.34Å; Y61-D148 WeakPolarHBondContact OH-CB 3.04Å; Y61-D148 PolarHBondContact OH-OD2 3.41Å; D148-L185 WeakPolarHBondContact O-CB 3.37Å; D148-L185 WeakPolarHBondContact O-CD2 3.44Å
149D95.1Very high93.5Very high10 Ų1037.2 Ų37.25%0.05322%0.224CC..  trans-162.1101.6172.2-169.71.5000110.5L54 A55 S151 V152 R187L54-D149 WeakPolarHBondContact CD1-O 3.29Å; A55-D149 HydrophobicContact CB-CB 3.8Å; D149-S151 VanDerWaalsContact C-N 3.33Å; D149-S151 PolarHBondContact OD1-N 2.87Å; D149-S151 VanDerWaalsContact OD1-N 3.13Å; D149-S151 PolarHBondContact OD1-OG 3.4Å; D149-V152 HydrophobicContact CB-CG2 3.93Å; D149-R187 WeakPolarHBondContact OD2-CD 3.37Å; D149-R187 IonicContact OD2-CZ 3.63Å; D149-R187 IonicContact OD2-NE 3.73Å; D149-R187 IonicContact OD2-NH1 3.9Å; D149-R187 PolarHBondContact OD2-NH1 2.98Å
150L95.3Very high94.2Very high0 Ų029.4 Ų29.40%019%0.19CC..SBendtrans-76.4-22.3-178.1-167.567.5000112V147 V152 L153 V163 F166 S167 M184 L185 V186 L205 L209V147-L150 HydrophobicContact CG1-CB 4.42Å; V147-L150 HydrophobicContact CG1-CD1 4.14Å; L150-V152 PolarHBondContact O-N 3.42Å; L150-L153 HydrophobicContact CD1-CD1 3.63Å; L150-L153 WeakPolarHBondContact O-CB 3.48Å; L150-L153 PolarHBondContact O-N 3.05Å; L150-V163 HydrophobicContact CD1-CG1 3.92Å; L150-V163 HydrophobicContact CD2-CG1 3.68Å; L150-V163 HydrophobicContact CG-CG1 3.56Å; L150-F166 HydrophobicContact CD1-CD1 4.26Å; L150-F166 HydrophobicContact CD1-CE1 4.19Å; L150-S167 WeakPolarHBondContact CD2-OG 3.46Å; L150-M184 HydrophobicContact CD2-SD 4Å; L150-L185 WeakPolarHBondContact CB-O 3.46Å; L150-L185 PolarHBondContact N-O 3.32Å; L150-V186 HydrophobicContact CB-CG2 4.17Å; L150-V186 HydrophobicContact CD2-CG2 4.4Å; L150-L205 HydrophobicContact CD2-CD2 4.44Å; L150-L205 HydrophobicContact CG-CD2 4.45Å; L150-L209 HydrophobicContact CD2-CD1 3.81Å
151S93.3Very high94.4Very high12 Ų1229.3 Ų29.38%0.08420%0.202CC..THydrogen-bonded Turntrans-69.6-21.2-179.971.40000112.4D149 L153 L154 S155D149-S151 VanDerWaalsContact C-N 3.33Å; D149-S151 PolarHBondContact OD1-N 2.87Å; D149-S151 VanDerWaalsContact OD1-N 3.13Å; D149-S151 PolarHBondContact OD1-OG 3.4Å; S151-L153 PolarHBondContact O-N 2.93Å; S151-L153 VanDerWaalsContact O-N 3.11Å; S151-L154 WeakPolarHBondContact O-CA 3.49Å; S151-L154 VanDerWaalsContact O-CB 3.3Å; S151-L154 WeakPolarHBondContact O-CB 3.37Å; S151-L154 PolarHBondContact O-N 3.21Å; S151-S155 PolarHBondContact O-N 3.43Å
152V93.8Very high94.6Very high24 Ų2429 Ų2915%0.14520%0.197CC..Hα-helixtrans-53-33.1170.7173.20000111.9L54 A55 D149 L150 L154 S155 L156L54-V152 HydrophobicContact CB-CB 4.27Å; L54-V152 HydrophobicContact CB-CG1 4.36Å; A55-V152 HydrophobicContact CB-CG2 4.1Å; D149-V152 HydrophobicContact CB-CG2 3.93Å; L150-V152 PolarHBondContact O-N 3.42Å; V152-L154 VanDerWaalsContact C-N 3.3Å; V152-L154 PolarHBondContact O-N 3.18Å; V152-S155 WeakPolarHBondContact O-CB 3.21Å; V152-S155 PolarHBondContact O-N 3.29Å; V152-L156 HydrophobicContact CG1-CD1 4.2Å; V152-L156 HydrophobicContact CG1-CG 4.44Å; V152-L156 WeakPolarHBondContact O-CG 3.34Å; V152-L156 PolarHBondContact O-N 3.18Å
153L94.6Very high94.8Very high0 Ų027.5 Ų27.50%019%0.187CC..Hα-helixtrans-64.9-36.1177.6-62.2178.5000111.9L54 F108 L116 L119 L150 S151 L156 G157 V158 V163L54-L153 HydrophobicContact CD1-CD1 4.29Å; L54-L153 HydrophobicContact CD1-CD2 4.1Å; L54-L153 HydrophobicContact CD1-CG 3.97Å; F108-L153 HydrophobicContact CZ-CD2 3.92Å; L116-L153 HydrophobicContact CD1-CD1 3.7Å; L116-L153 HydrophobicContact CD2-CD1 4.23Å; L116-L153 HydrophobicContact CD2-CD2 4.34Å; L119-L153 HydrophobicContact CD2-CD1 4.41Å; L150-L153 HydrophobicContact CD1-CD1 3.63Å; L150-L153 WeakPolarHBondContact O-CB 3.48Å; L150-L153 PolarHBondContact O-N 3.05Å; S151-L153 PolarHBondContact O-N 2.93Å; S151-L153 VanDerWaalsContact O-N 3.11Å; L153-L156 HydrophobicContact CD2-CD1 4.48Å; L153-L156 PolarHBondContact O-N 3.36Å; L153-G157 PolarHBondContact O-N 2.61Å; L153-V158 HydrophobicContact CB-CB 4.3Å; L153-V158 HydrophobicContact CB-CG2 4.34Å; L153-V158 VanDerWaalsContact O-CB 3.23Å; L153-V158 WeakPolarHBondContact O-CB 3.43Å; L153-V158 VanDerWaalsContact O-CG2 3.32Å; L153-V158 WeakPolarHBondContact O-CG2 3.28Å; L153-V158 PolarHBondContact O-N 2.8Å; L153-V163 HydrophobicContact CB-CG2 4Å; L153-V163 HydrophobicContact CD1-CG1 4.44Å; L153-V163 HydrophobicContact CD1-CG2 4.41Å
154L93.2Very high94.9Very high32 Ų3227.9 Ų27.917%0.16819%0.189CC..Hα-helixtrans-65.4-42.2174-54.6-178.3000110.5S151 V152 L156 G157 V158 V160 V163 L205S151-L154 WeakPolarHBondContact O-CA 3.49Å; S151-L154 VanDerWaalsContact O-CB 3.3Å; S151-L154 WeakPolarHBondContact O-CB 3.37Å; S151-L154 PolarHBondContact O-N 3.21Å; V152-L154 VanDerWaalsContact C-N 3.3Å; V152-L154 PolarHBondContact O-N 3.18Å; L154-L156 PolarHBondContact O-N 3.3Å; L154-G157 WeakPolarHBondContact O-CA 3.37Å; L154-G157 PolarHBondContact O-N 3.13Å; L154-V158 VanDerWaalsContact CD2-O 3.31Å; L154-V158 WeakPolarHBondContact CD2-O 3.38Å; L154-V160 HydrophobicContact CD1-CG2 4.25Å; L154-V160 HydrophobicContact CD2-CB 4.32Å; L154-V160 HydrophobicContact CD2-CG2 3.67Å; L154-V163 HydrophobicContact CD2-CG2 3.8Å; L154-L205 HydrophobicContact CD1-CB 4.3Å; L154-L205 HydrophobicContact CD1-CD2 3.92Å; L154-L205 HydrophobicContact CG-CD2 4.3Å
155S90.9Very high94.8Very high106 Ų10632.2 Ų32.274%0.74121%0.212SC*.Hα-helixtrans-63.1-24.6174.8-490000113.3S151 V152S151-S155 PolarHBondContact O-N 3.43Å; V152-S155 WeakPolarHBondContact O-CB 3.21Å; V152-S155 PolarHBondContact O-N 3.29Å
156L90.9Very high94.8Very high59 Ų5932.5 Ų32.531%0.30921%0.213SC..THydrogen-bonded Turntrans-83.55172.4-67.5173.2000113.2M106 F108 L109 V152 L153 L154M106-L156 HydrophobicContact CE-CD1 3.68Å; F108-L156 HydrophobicContact CE2-CB 4.47Å; F108-L156 HydrophobicContact CZ-CD1 4.36Å; L109-L156 HydrophobicContact CD2-CB 4.14Å; L109-L156 HydrophobicContact CD2-CD2 4.33Å; V152-L156 HydrophobicContact CG1-CD1 4.2Å; V152-L156 HydrophobicContact CG1-CG 4.44Å; V152-L156 WeakPolarHBondContact O-CG 3.34Å; V152-L156 PolarHBondContact O-N 3.18Å; L153-L156 HydrophobicContact CD2-CD1 4.48Å; L153-L156 PolarHBondContact O-N 3.36Å; L154-L156 PolarHBondContact O-N 3.3Å
157G89.9Confident94.8Very high65 Ų6532.5 Ų32.567%0.6721%0.213SC*.THydrogen-bonded Turntrans84.615.217700000114.5L153 L154L153-G157 PolarHBondContact O-N 2.61Å; L154-G157 WeakPolarHBondContact O-CA 3.37Å; L154-G157 PolarHBondContact O-N 3.13Å
158V93.4Very high94.8Very high17 Ų1736.7 Ų36.710%0.10323%0.233CC..  trans-79.1131.7175.7-175.70000109.7F108 L116 L153 L154 A162 V163F108-V158 HydrophobicContact CD2-CG2 3.61Å; F108-V158 HydrophobicContact CE2-CG2 3.39Å; F108-V158 HydrophobicContact CZ-CG2 4.22Å; L116-V158 HydrophobicContact CD1-CG1 4.08Å; L116-V158 HydrophobicContact CD2-CG1 4.12Å; L116-V158 HydrophobicContact CD2-CG2 4.19Å; L116-V158 HydrophobicContact CG-CG1 3.94Å; L153-V158 HydrophobicContact CB-CB 4.3Å; L153-V158 HydrophobicContact CB-CG2 4.34Å; L153-V158 VanDerWaalsContact O-CB 3.23Å; L153-V158 WeakPolarHBondContact O-CB 3.43Å; L153-V158 VanDerWaalsContact O-CG2 3.32Å; L153-V158 WeakPolarHBondContact O-CG2 3.28Å; L153-V158 PolarHBondContact O-N 2.8Å; L154-V158 VanDerWaalsContact CD2-O 3.31Å; L154-V158 WeakPolarHBondContact CD2-O 3.38Å; V158-A162 HydrophobicContact CG1-CB 3.89Å; V158-V163 HydrophobicContact CB-CG2 4.31Å; V158-V163 HydrophobicContact CG1-CG2 3.84Å
159D93.3Very high94.8Very high129 Ų12942.8 Ų42.869%0.6926%0.257SS*.  trans-61.3140.6176.1-70.6-61.9000112.3G161 A162 V163D159-G161 PolarHBondContact O-N 2.86Å; D159-G161 VanDerWaalsContact O-N 3.15Å; D159-A162 WeakPolarHBondContact O-CB 3.26Å; D159-A162 PolarHBondContact O-N 3.09Å; D159-V163 PolarHBondContact O-N 2.96Å; D159-V163 VanDerWaalsContact O-N 3.16Å
160V94.8Very high95Very high29 Ų2942.3 Ų42.318%0.17625%0.254CS..Hα-helixtrans-53.8-38.5177.7178.90000111.9L154 A162 V163 L164 G201 V204 L205L154-V160 HydrophobicContact CD1-CG2 4.25Å; L154-V160 HydrophobicContact CD2-CB 4.32Å; L154-V160 HydrophobicContact CD2-CG2 3.67Å; V160-A162 PolarHBondContact O-N 2.9Å; V160-V163 PolarHBondContact O-N 2.78Å; V160-L164 HydrophobicContact CG1-CD1 4.04Å; V160-L164 HydrophobicContact CG1-CG 4.32Å; V160-L164 WeakPolarHBondContact O-CG 3.39Å; V160-L164 PolarHBondContact O-N 2.69Å; V160-G201 WeakPolarHBondContact CG2-O 3.3Å; V160-V204 HydrophobicContact CG1-CB 4.25Å; V160-V204 HydrophobicContact CG1-CG1 3.85Å; V160-L205 HydrophobicContact CG1-CB 3.94Å; V160-L205 HydrophobicContact CG1-CD1 4.46Å
161G95.1Very high95.1Very high42 Ų4246.1 Ų46.143%0.43327%0.269SS..Hα-helixtrans-59.8-42.917600000112.9D159 V163 L164 D165D159-G161 PolarHBondContact O-N 2.86Å; D159-G161 VanDerWaalsContact O-N 3.15Å; G161-V163 VanDerWaalsContact C-N 3.34Å; G161-V163 PolarHBondContact O-N 2.63Å; G161-L164 PolarHBondContact O-N 3.18Å; G161-D165 WeakPolarHBondContact O-CB 3.43Å; G161-D165 PolarHBondContact O-N 3.33Å
162A95.7Very high95.3Very high26 Ų2647 Ų4722%0.21528%0.276CS..Hα-helixtrans-67.8-34.717800000112.1V158 D159 V160 F166V158-A162 HydrophobicContact CG1-CB 3.89Å; D159-A162 WeakPolarHBondContact O-CB 3.26Å; D159-A162 PolarHBondContact O-N 3.09Å; V160-A162 PolarHBondContact O-N 2.9Å; A162-F166 WeakPolarHBondContact O-CB 3.37Å; A162-F166 PolarHBondContact O-N 3.12Å
163V97.1Very high95.4Very high0 Ų046.1 Ų46.10%027%0.271CS..Hα-helixtrans-67.1-42.9173.4-175.30000111.2L116 L150 L153 L154 V158 D159 V160 G161 F166 S167 L205L116-V163 HydrophobicContact CD1-CB 4.44Å; L116-V163 HydrophobicContact CD1-CG2 4.12Å; L150-V163 HydrophobicContact CD1-CG1 3.92Å; L150-V163 HydrophobicContact CD2-CG1 3.68Å; L150-V163 HydrophobicContact CG-CG1 3.56Å; L153-V163 HydrophobicContact CB-CG2 4Å; L153-V163 HydrophobicContact CD1-CG1 4.44Å; L153-V163 HydrophobicContact CD1-CG2 4.41Å; L154-V163 HydrophobicContact CD2-CG2 3.8Å; V158-V163 HydrophobicContact CB-CG2 4.31Å; V158-V163 HydrophobicContact CG1-CG2 3.84Å; D159-V163 PolarHBondContact O-N 2.96Å; D159-V163 VanDerWaalsContact O-N 3.16Å; V160-V163 PolarHBondContact O-N 2.78Å; G161-V163 VanDerWaalsContact C-N 3.34Å; G161-V163 PolarHBondContact O-N 2.63Å; V163-F166 WeakPolarHBondContact O-CB 3.44Å; V163-F166 PolarHBondContact O-N 3.4Å; V163-S167 PolarHBondContact O-N 2.85Å; V163-S167 PolarHBondContact O-OG 3.16Å; V163-L205 HydrophobicContact CB-CD1 4.01Å; V163-L205 HydrophobicContact CG1-CD1 3.57Å; V163-L205 HydrophobicContact CG1-CD2 3.95Å; V163-L205 HydrophobicContact CG1-CG 4.44Å
164L97.4Very high95.5Very high33 Ų3346.1 Ų46.117%0.17327%0.271CS..Hα-helixtrans-63.6-41.5175.7-72.9172.1000112.2V160 G161 S167 H168 L205 L209V160-L164 HydrophobicContact CG1-CD1 4.04Å; V160-L164 HydrophobicContact CG1-CG 4.32Å; V160-L164 WeakPolarHBondContact O-CG 3.39Å; V160-L164 PolarHBondContact O-N 2.69Å; G161-L164 PolarHBondContact O-N 3.18Å; L164-S167 PolarHBondContact O-N 2.84Å; L164-H168 WeakPolarHBondContact O-CB 3.27Å; L164-H168 PolarHBondContact O-N 3.15Å; L164-L205 HydrophobicContact CD2-CD1 3.82Å; L164-L205 HydrophobicContact CG-CD1 4.02Å; L164-L209 HydrophobicContact CD2-CD2 4.01Å; L164-L209 HydrophobicContact CD2-CG 3.99Å
165D96.6Very high95.7Very high92 Ų9244.8 Ų44.849%0.49226%0.264SS..Hα-helixtrans-61.8-45.9174.4-78.7-14.3000111.1G161 S167 H168 Y169G161-D165 WeakPolarHBondContact O-CB 3.43Å; G161-D165 PolarHBondContact O-N 3.33Å; D165-S167 PolarHBondContact O-N 2.9Å; D165-H168 WeakPolarHBondContact O-CB 3.49Å; D165-H168 PolarHBondContact O-N 3.27Å; D165-Y169 HydrophobicContact CB-CD2 4.4Å; D165-Y169 HydrophobicContact CB-CE2 4.15Å; D165-Y169 WeakPolarHBondContact O-CD2 3.36Å; D165-Y169 PolarHBondContact O-N 3.29Å
166F97.9Very high95.9Very high5 Ų543.2 Ų43.22%0.02225%0.253CS..Hα-helixtrans-56.3-50.5175.3168.9-99.3000112L52 L116 L119 V123 L150 A162 V163 H168 Y169 C170 M184L52-F166 HydrophobicContact CD1-CZ 3.95Å; L116-F166 HydrophobicContact CB-CB 3.9Å; L116-F166 HydrophobicContact CB-CD2 4.04Å; L116-F166 HydrophobicContact CB-CG 4.18Å; L116-F166 HydrophobicContact CD1-CB 3.56Å; L116-F166 HydrophobicContact CD1-CD1 4.34Å; L116-F166 HydrophobicContact CD1-CD2 4.48Å; L116-F166 HydrophobicContact CD1-CG 3.89Å; L116-F166 HydrophobicContact CG-CB 4.41Å; L119-F166 HydrophobicContact CB-CE2 4.19Å; L119-F166 HydrophobicContact CD2-CE1 4.48Å; L119-F166 HydrophobicContact CD2-CE2 3.96Å; L119-F166 HydrophobicContact CD2-CZ 3.92Å; L119-F166 HydrophobicContact CG-CE2 3.77Å; L119-F166 HydrophobicContact CG-CZ 4.02Å; V123-F166 HydrophobicContact CG2-CE2 4.5Å; V123-F166 HydrophobicContact CG2-CZ 4.39Å; L150-F166 HydrophobicContact CD1-CD1 4.26Å; L150-F166 HydrophobicContact CD1-CE1 4.19Å; A162-F166 WeakPolarHBondContact O-CB 3.37Å; A162-F166 PolarHBondContact O-N 3.12Å; V163-F166 WeakPolarHBondContact O-CB 3.44Å; V163-F166 PolarHBondContact O-N 3.4Å; F166-H168 VanDerWaalsContact C-N 3.3Å; F166-H168 PolarHBondContact O-N 3.47Å; F166-Y169 PolarHBondContact O-N 2.91Å; F166-C170 VanDerWaalsContact CE2-SG 3.56Å; F166-C170 WeakPolarHBondContact O-CB 3.35Å; F166-C170 PolarHBondContact O-N 3.46Å; F166-C170 PolarHBondContact O-SG 2.9Å; F166-M184 HydrophobicContact CE1-CE 4.06Å
167S98.1Very high96.1Very high0 Ų047.1 Ų47.10%027%0.27CS..Hα-helixtrans-60.3-41.2177.9-62.50000111.8L150 V163 L164 D165 C170 R171 L209L150-S167 WeakPolarHBondContact CD2-OG 3.46Å; V163-S167 PolarHBondContact O-N 2.85Å; V163-S167 PolarHBondContact O-OG 3.16Å; L164-S167 PolarHBondContact O-N 2.84Å; D165-S167 PolarHBondContact O-N 2.9Å; S167-C170 PolarHBondContact O-N 2.94Å; S167-R171 WeakPolarHBondContact O-CB 3.49Å; S167-R171 PolarHBondContact O-N 3.15Å; S167-L209 VanDerWaalsContact CB-CD2 3.42Å
168H97.6Very high96.2Very high89 Ų8946.4 Ų46.441%0.41225%0.25SC..Hα-helixtrans-62.3-48.3176.4-176.879.8000112.2L164 D165 F166 C170 R171 A172L164-H168 WeakPolarHBondContact O-CB 3.27Å; L164-H168 PolarHBondContact O-N 3.15Å; D165-H168 WeakPolarHBondContact O-CB 3.49Å; D165-H168 PolarHBondContact O-N 3.27Å; F166-H168 VanDerWaalsContact C-N 3.3Å; F166-H168 PolarHBondContact O-N 3.47Å; H168-C170 PolarHBondContact O-N 2.81Å; H168-R171 PolarHBondContact O-N 3.22Å; H168-A172 WeakPolarHBondContact O-CB 3.45Å; H168-A172 PolarHBondContact O-N 2.85Å
169Y97.8Very high96.3Very high129 Ų12950.3 Ų50.351%0.50627%0.267SS..Hα-helixtrans-62.6-42.6177.7-74.2-58.3000111.8D165 F166 A172 L173D165-Y169 HydrophobicContact CB-CD2 4.4Å; D165-Y169 HydrophobicContact CB-CE2 4.15Å; D165-Y169 WeakPolarHBondContact O-CD2 3.36Å; D165-Y169 PolarHBondContact O-N 3.29Å; F166-Y169 PolarHBondContact O-N 2.91Å; Y169-A172 PolarHBondContact O-N 3.4Å; Y169-L173 WeakPolarHBondContact O-CB 3.41Å; Y169-L173 PolarHBondContact O-N 3.2Å
170C98Very high96.4Very high0 Ų044.2 Ų44.20%023%0.234CC..Hα-helixtrans-64.3-39.7175.9-74.30000111.9L145 F166 S167 H168 L173 V174 M182L145-C170 HydrophobicContact CD2-CB 3.71Å; F166-C170 VanDerWaalsContact CE2-SG 3.56Å; F166-C170 WeakPolarHBondContact O-CB 3.35Å; F166-C170 PolarHBondContact O-N 3.46Å; F166-C170 PolarHBondContact O-SG 2.9Å; S167-C170 PolarHBondContact O-N 2.94Å; H168-C170 PolarHBondContact O-N 2.81Å; C170-L173 PolarHBondContact O-N 3.42Å; C170-V174 VanDerWaalsContact O-CB 3.31Å; C170-V174 WeakPolarHBondContact O-CB 3.03Å; C170-V174 WeakPolarHBondContact O-CG2 3.45Å; C170-V174 PolarHBondContact O-N 3.47Å; C170-M182 HydrophobicContact CB-CE 3.14Å
171R97.4Very high96.6Very high80 Ų8042.9 Ų42.930%0.30223%0.226SC..Hα-helixtrans-64-45.4174.5177.3-177.9170.3-119.93.6111.7S167 H168 L173 C175 S176 M182 Q212S167-R171 WeakPolarHBondContact O-CB 3.49Å; S167-R171 PolarHBondContact O-N 3.15Å; H168-R171 PolarHBondContact O-N 3.22Å; R171-L173 VanDerWaalsContact C-N 3.29Å; R171-L173 PolarHBondContact O-N 3.25Å; R171-C175 HydrophobicContact CG-CB 4.14Å; R171-C175 WeakPolarHBondContact O-CA 2.93Å; R171-C175 VanDerWaalsContact O-CB 3.24Å; R171-C175 WeakPolarHBondContact O-CB 3.49Å; R171-C175 PolarHBondContact O-N 2.97Å; R171-S176 PolarHBondContact O-N 2.9Å; R171-M182 HydrophobicContact CB-CE 4.48Å; R171-Q212 WeakPolarHBondContact CD-O 3.16Å; R171-Q212 PolarHBondContact NE-O 3.33Å
172A97.4Very high96.7Very high30 Ų3040.9 Ų40.925%0.24821%0.205CC..Iπ-helixtrans-60.2-41.3177.300000111.5H168 Y169 S176 Q177H168-A172 WeakPolarHBondContact O-CB 3.45Å; H168-A172 PolarHBondContact O-N 2.85Å; Y169-A172 PolarHBondContact O-N 3.4Å; A172-S176 WeakPolarHBondContact O-CB 3.49Å; A172-Q177 WeakPolarHBondContact O-CG 3.47Å; A172-Q177 PolarHBondContact O-N 3.33Å; A172-Q177 VanDerWaalsContact O-N 3.09Å
173L97Very high96.8Very high5 Ų539.6 Ų39.63%0.02620%0.195CC..Iπ-helixtrans-70.8-54.9177.6176.962000112.4Y120 R124 Y169 C170 R171 Q177 M178Y120-L173 HydrophobicContact CE2-CB 4.36Å; Y120-L173 HydrophobicContact CE2-CD2 3.92Å; R124-L173 HydrophobicContact CB-CD2 3.76Å; R124-L173 HydrophobicContact CG-CD2 3.97Å; Y169-L173 WeakPolarHBondContact O-CB 3.41Å; Y169-L173 PolarHBondContact O-N 3.2Å; C170-L173 PolarHBondContact O-N 3.42Å; R171-L173 VanDerWaalsContact C-N 3.29Å; R171-L173 PolarHBondContact O-N 3.25Å; L173-Q177 WeakPolarHBondContact O-CB 3.41Å; L173-M178 HydrophobicContact CD1-CE 4.13Å; L173-M178 HydrophobicContact CD2-CE 4.45Å; L173-M178 HydrophobicContact CG-CE 3.76Å; L173-M178 PolarHBondContact O-N 2.82Å; L173-M178 VanDerWaalsContact O-N 3.13Å
174V96.4Very high96.9Very high0 Ų039.6 Ų39.60%020%0.195CC..Iπ-helixtrans-77.7-56-171.4179.50000110.9M127 L145 C170 M178 Q179 G180 N181M127-V174 HydrophobicContact CE-CG2 4.33Å; L145-V174 HydrophobicContact CB-CG2 4.14Å; L145-V174 HydrophobicContact CD2-CG2 4.32Å; C170-V174 VanDerWaalsContact O-CB 3.31Å; C170-V174 WeakPolarHBondContact O-CB 3.03Å; C170-V174 WeakPolarHBondContact O-CG2 3.45Å; C170-V174 PolarHBondContact O-N 3.47Å; V174-M178 HydrophobicContact CB-CE 4.22Å; V174-M178 HydrophobicContact CG2-CE 3.81Å; V174-M178 CarbonylContact O-C 3.57Å; V174-M178 WeakPolarHBondContact O-CB 3.33Å; V174-M178 PolarHBondContact O-N 3.36Å; V174-Q179 PolarHBondContact O-N 3.46Å; V174-G180 WeakPolarHBondContact O-CA 3.32Å; V174-G180 PolarHBondContact O-N 3.04Å; V174-N181 WeakPolarHBondContact CG1-O 3.47Å
175C96.6Very high96.9Very high4 Ų438 Ų383%0.02719%0.187CC..Iπ-helixtrans-76.1-46.9-173.2-56.50000112G19 E20 R171 Q179 G180G19-C175 WeakPolarHBondContact CA-O 3Å; G19-C175 WeakPolarHBondContact O-CB 3.48Å; E20-C175 PolarHBondContact O-SG 2.75Å; R171-C175 HydrophobicContact CG-CB 4.14Å; R171-C175 WeakPolarHBondContact O-CA 2.93Å; R171-C175 VanDerWaalsContact O-CB 3.24Å; R171-C175 WeakPolarHBondContact O-CB 3.49Å; R171-C175 PolarHBondContact O-N 2.97Å; C175-Q179 WeakPolarHBondContact O-CA 3.49Å; C175-G180 WeakPolarHBondContact CA-O 3.43Å
176S95.4Very high96.8Very high73 Ų7333.7 Ų33.751%0.5116%0.163SC..Iπ-helixtrans-83.2-49.7-174.3-49.80000113.2R171 A172 Q179R171-S176 PolarHBondContact O-N 2.9Å; A172-S176 WeakPolarHBondContact O-CB 3.49Å; S176-Q179 PolarHBondContact O-NE2 3.16Å
177Q94.8Very high96.5Very high142 Ų14235.8 Ų35.866%0.66417%0.171SC*.Iπ-helixtrans-81.8-41.6-175.1-64.217229.500113.1A172 L173A172-Q177 WeakPolarHBondContact O-CG 3.47Å; A172-Q177 PolarHBondContact O-N 3.33Å; A172-Q177 VanDerWaalsContact O-N 3.09Å; L173-Q177 WeakPolarHBondContact O-CB 3.41Å
178M93.1Very high95.8Very high49 Ų4936.2 Ų36.224%0.24117%0.174CC..SBendtrans-96.5-5.1-175.6-65.7-172.4-67.100114.1M127 N143 L173 V174 G180M127-M178 HydrophobicContact CB-CE 3.67Å; M127-M178 HydrophobicContact CB-SD 3.89Å; M127-M178 HydrophobicContact CG-CE 3.91Å; N143-M178 HydrophobicContact CB-CE 4.39Å; N143-M178 HydrophobicContact CB-SD 4.48Å; N143-M178 PolarHBondContact ND2-SD 3.5Å; L173-M178 HydrophobicContact CD1-CE 4.13Å; L173-M178 HydrophobicContact CD2-CE 4.45Å; L173-M178 HydrophobicContact CG-CE 3.76Å; L173-M178 PolarHBondContact O-N 2.82Å; L173-M178 VanDerWaalsContact O-N 3.13Å; V174-M178 HydrophobicContact CB-CE 4.22Å; V174-M178 HydrophobicContact CG2-CE 3.81Å; V174-M178 CarbonylContact O-C 3.57Å; V174-M178 WeakPolarHBondContact O-CB 3.33Å; V174-M178 PolarHBondContact O-N 3.36Å; M178-G180 PolarHBondContact O-N 3.32Å; M178-G180 VanDerWaalsContact O-N 3.15Å
179Q95.2Very high94.5Very high100 Ų10037.7 Ų37.747%0.46719%0.185SC..  trans51.833.9-173-58.1-67.6-57.900111.7Q18 V174 C175 S176Q18-Q179 WeakPolarHBondContact CB-O 3.29Å; Q18-Q179 PolarHBondContact OE1-O 3.46Å; V174-Q179 PolarHBondContact O-N 3.46Å; C175-Q179 WeakPolarHBondContact O-CA 3.49Å; S176-Q179 PolarHBondContact O-NE2 3.16Å
180G96.1Very high92.8Very high0 Ų035.8 Ų35.80%018%0.18CC..  trans-95175.5176.600000112.1G19 N143 V174 C175 M178G19-G180 WeakPolarHBondContact CA-O 3.31Å; G19-G180 PolarHBondContact N-O 3.25Å; N143-G180 CarbonylContact O-C 3.55Å; N143-G180 WeakPolarHBondContact O-CA 3.35Å; V174-G180 WeakPolarHBondContact O-CA 3.32Å; V174-G180 PolarHBondContact O-N 3.04Å; C175-G180 WeakPolarHBondContact CA-O 3.43Å; M178-G180 PolarHBondContact O-N 3.32Å; M178-G180 VanDerWaalsContact O-N 3.15Å
181N97.6Very high90.8Very high1 Ų142.7 Ų42.71%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-110.2153179-69.8-1.9000112F16 T17 Q18 G19 E20 Y42 N143 V144 L145 V174F16-N181 WeakPolarHBondContact CD2-ND2 3.49Å; T17-N181 PolarHBondContact O-ND2 2.94Å; T17-N181 PolarHBondContact O-OD1 3.28Å; Q18-N181 WeakPolarHBondContact CA-OD1 3.47Å; G19-N181 PolarHBondContact N-OD1 2.92Å; E20-N181 PolarHBondContact N-OD1 3.34Å; E20-N181 VanDerWaalsContact N-OD1 3.13Å; E20-N181 CarbonylContact O-C 3.52Å; E20-N181 WeakPolarHBondContact O-CA 3.21Å; Y42-N181 HydrophobicContact CE1-CB 4.2Å; Y42-N181 WeakPolarHBondContact OH-CB 3.45Å; Y42-N181 PolarHBondContact OH-ND2 3.45Å; N143-N181 PolarHBondContact O-N 2.97Å; V144-N181 CarbonylContact C-O 3.53Å; V144-N181 WeakPolarHBondContact CA-O 3.3Å; V144-N181 HydrophobicContact CG2-CB 4.43Å; L145-N181 PolarHBondContact N-O 2.88Å; V174-N181 WeakPolarHBondContact CG1-O 3.47Å
182M98Very high88.6Confident0 Ų046.1 Ų46.10%023%0.231CC..EExtended strand (participates in β ladder)trans-125138.8175174.3-169.4-9100109.4E20 F21 I22 L145 C170 R171 M184E20-M182 PolarHBondContact O-N 3.44Å; F21-M182 HydrophobicContact CB-CB 4.48Å; F21-M182 HydrophobicContact CB-SD 4.5Å; F21-M182 HydrophobicContact CD1-SD 4.29Å; F21-M182 HydrophobicContact CD2-CB 3.99Å; F21-M182 HydrophobicContact CD2-CG 3.62Å; F21-M182 HydrophobicContact CD2-SD 3.36Å; F21-M182 WeakPolarHBondContact CD2-SD 3.37Å; F21-M182 HydrophobicContact CE1-SD 4.42Å; F21-M182 HydrophobicContact CE2-CG 3.97Å; F21-M182 HydrophobicContact CE2-SD 3.53Å; F21-M182 VanDerWaalsContact CE2-SD 3.53Å; F21-M182 HydrophobicContact CG-CG 4.42Å; F21-M182 HydrophobicContact CG-SD 3.8Å; F21-M182 HydrophobicContact CZ-SD 4.07Å; I22-M182 PolarHBondContact N-O 2.95Å; L145-M182 HydrophobicContact CD2-CE 3.63Å; L145-M182 CarbonylContact O-C 3.56Å; L145-M182 VanDerWaalsContact O-CA 3.29Å; L145-M182 WeakPolarHBondContact O-CA 3.38Å; C170-M182 HydrophobicContact CB-CE 3.14Å; R171-M182 HydrophobicContact CB-CE 4.48Å; M182-M184 HydrophobicContact CE-CE 3.36Å; M182-M184 HydrophobicContact CE-SD 4.21Å; M182-M184 HydrophobicContact CG-CE 4.26Å; M182-M184 HydrophobicContact CG-CG 3.98Å; M182-M184 HydrophobicContact CG-SD 4.36Å; M182-M184 HydrophobicContact SD-CE 3.59Å; M182-M184 VanDerWaalsContact SD-CE 3.59Å; M182-M184 HydrophobicContact SD-CG 4.03Å; M182-M184 HydrophobicContact SD-SD 3.64Å; M182-M184 VanDerWaalsContact SD-SD 3.64Å
183V98.5Very high86.3Confident0 Ų052 Ų520%026%0.258CS..EExtended strand (participates in β ladder)trans-129.1128.9166-1670000109.4I22 V24 I35 F38 Y42 L145 L146 V147I22-V183 HydrophobicContact CB-CG1 4.28Å; I22-V183 HydrophobicContact CB-CG2 4.19Å; I22-V183 HydrophobicContact CD1-CG2 4.36Å; I22-V183 HydrophobicContact CG2-CG1 4.32Å; I22-V183 VanDerWaalsContact O-CA 3.24Å; I22-V183 WeakPolarHBondContact O-CA 3.33Å; V24-V183 HydrophobicContact CG2-CG1 3.86Å; I35-V183 HydrophobicContact CD1-CG1 4.11Å; F38-V183 HydrophobicContact CB-CG2 4.18Å; F38-V183 HydrophobicContact CD1-CG2 4.25Å; F38-V183 HydrophobicContact CD2-CG1 3.76Å; F38-V183 HydrophobicContact CD2-CG2 4.26Å; F38-V183 HydrophobicContact CE2-CG1 4.16Å; F38-V183 HydrophobicContact CG-CG1 4.3Å; F38-V183 HydrophobicContact CG-CG2 3.98Å; Y42-V183 HydrophobicContact CE2-CG2 3.91Å; L145-V183 PolarHBondContact O-N 3.24Å; L146-V183 CarbonylContact C-O 3.58Å; L146-V183 WeakPolarHBondContact CA-O 3.2Å; L146-V183 HydrophobicContact CD2-CB 3.48Å; L146-V183 VanDerWaalsContact CD2-CB 3.48Å; L146-V183 HydrophobicContact CD2-CG2 3.51Å; V147-V183 PolarHBondContact N-O 3.11Å
184M98.3Very high83.9Confident0 Ų056.9 Ų56.90%029%0.285CS..EExtended strand (participates in β ladder)trans-130.6134.1175.9-63.4178.5156.200110F21 I22 V24 L145 V147 L150 F166 M182F21-M184 HydrophobicContact CE2-CB 3.94Å; F21-M184 HydrophobicContact CE2-CG 3.86Å; F21-M184 HydrophobicContact CE2-SD 3.89Å; F21-M184 HydrophobicContact CZ-CB 4.39Å; F21-M184 HydrophobicContact CZ-CG 4.37Å; F21-M184 HydrophobicContact CZ-SD 3.87Å; I22-M184 PolarHBondContact O-N 3.26Å; I22-M184 VanDerWaalsContact O-N 3.11Å; V24-M184 PolarHBondContact N-O 3.19Å; L145-M184 HydrophobicContact CD2-CE 4.48Å; V147-M184 HydrophobicContact CB-CB 4.38Å; V147-M184 HydrophobicContact CB-CG 3.97Å; V147-M184 HydrophobicContact CG2-CE 3.81Å; V147-M184 HydrophobicContact CG2-CG 3.91Å; L150-M184 HydrophobicContact CD2-SD 4Å; F166-M184 HydrophobicContact CE1-CE 4.06Å; M182-M184 HydrophobicContact CE-CE 3.36Å; M182-M184 HydrophobicContact CE-SD 4.21Å; M182-M184 HydrophobicContact CG-CE 4.26Å; M182-M184 HydrophobicContact CG-CG 3.98Å; M182-M184 HydrophobicContact CG-SD 4.36Å; M182-M184 HydrophobicContact SD-CE 3.59Å; M182-M184 VanDerWaalsContact SD-CE 3.59Å; M182-M184 HydrophobicContact SD-CG 4.03Å; M182-M184 HydrophobicContact SD-SD 3.64Å; M182-M184 VanDerWaalsContact SD-SD 3.64Å
185L97.3Very high81.6Confident0 Ų065.4 Ų65.40%033%0.33CS..EExtended strand (participates in β ladder)trans-94.2136.9167.9174.563.8000110.4V24 A31 I35 V147 D148 L150 R187V24-L185 HydrophobicContact CB-CB 4.38Å; V24-L185 HydrophobicContact CB-CD1 3.89Å; V24-L185 HydrophobicContact CG1-CD1 3.61Å; V24-L185 CarbonylContact O-C 3.55Å; V24-L185 VanDerWaalsContact O-CA 3.3Å; V24-L185 WeakPolarHBondContact O-CA 3.34Å; A31-L185 HydrophobicContact CB-CD1 3.8Å; I35-L185 HydrophobicContact CD1-CB 3.97Å; I35-L185 HydrophobicContact CG1-CB 4.04Å; I35-L185 HydrophobicContact CG1-CD2 4.34Å; V147-L185 PolarHBondContact O-N 3.17Å; V147-L185 VanDerWaalsContact O-N 3.07Å; D148-L185 WeakPolarHBondContact O-CB 3.37Å; D148-L185 WeakPolarHBondContact O-CD2 3.44Å; L150-L185 WeakPolarHBondContact CB-O 3.46Å; L150-L185 PolarHBondContact N-O 3.32Å; L185-R187 HydrophobicContact CD2-CG 4.33Å; L185-R187 HydrophobicContact CG-CG 4.32Å
186V95.3Very high79.5Confident0 Ų071.2 Ų71.20%036%0.361CS..EExtended strand (participates in β ladder)trans-124.2128.1165.8177.60000108.8L23 V24 S25 D26 L150 L205 L206 L209L23-V186 HydrophobicContact CD1-CG2 4.09Å; V24-V186 PolarHBondContact O-N 2.8Å; S25-V186 VanDerWaalsContact CA-O 3.31Å; S25-V186 WeakPolarHBondContact CA-O 3.35Å; D26-V186 PolarHBondContact N-O 3.02Å; L150-V186 HydrophobicContact CB-CG2 4.17Å; L150-V186 HydrophobicContact CD2-CG2 4.4Å; V186-L205 HydrophobicContact CG1-CD2 4.24Å; V186-L205 HydrophobicContact CG2-CD2 4.26Å; V186-L205 HydrophobicContact CG2-CG 4.44Å; V186-L206 HydrophobicContact CG1-CB 4.41Å; V186-L209 HydrophobicContact CG2-CD1 3.54Å
187R91.3Very high77.4Confident49 Ų4974.1 Ų74.119%0.18537%0.371CS..EExtended strand (participates in β ladder)trans-95.8135.8174.1-59.1-169.6167.5111.32111.1D26 D30 D149 L185D26-R187 WeakPolarHBondContact OD1-CA 3.29Å; D26-R187 WeakPolarHBondContact OD1-CB 3.44Å; D26-R187 WeakPolarHBondContact OD1-CG 3.34Å; D26-R187 IonicContact OD2-NE 2.84Å; D30-R187 IonicContact OD1-NH2 3.81Å; D149-R187 WeakPolarHBondContact OD2-CD 3.37Å; D149-R187 IonicContact OD2-CZ 3.63Å; D149-R187 IonicContact OD2-NE 3.73Å; D149-R187 IonicContact OD2-NH1 3.9Å; D149-R187 PolarHBondContact OD2-NH1 2.98Å; L185-R187 HydrophobicContact CD2-CG 4.33Å; L185-R187 HydrophobicContact CG-CG 4.32Å
188C83.2Confident75.4Confident10 Ų1070.5 Ų70.57%0.06837%0.372CS..EExtended strand (participates in β ladder)trans-119.1115.3171.5-64.90000109.5D26 K190D26-C188 PolarHBondContact O-N 2.81Å; D26-C188 VanDerWaalsContact O-N 3.16Å; C188-K190 PolarHBondContact O-N 3.37Å
189N69.7Low73.9Confident119 Ų11969.9 Ų69.964%0.63637%0.369SS*.  trans-100.379.8178.9-75.8-5.9000108.7D199N189-D199 PolarHBondContact N-OD2 3.05Å
190K62.4Low73Confident90 Ų9071.1 Ų71.139%0.39138%0.375SS..  trans-94101.6166.2-147.1172.7-166.8153.50108.4Q28 C188 E203Q28-K190 PolarHBondContact NE2-O 2.84Å; C188-K190 PolarHBondContact O-N 3.37Å; K190-E203 WeakPolarHBondContact CD-OE1 3.39Å; K190-E203 WeakPolarHBondContact CE-OE1 3.32Å; K190-E203 IonicContact NZ-OE1 2.69Å; K190-E203 PolarHBondContact NZ-OE1 3.04Å; K190-E203 IonicContact NZ-OE2 3.95Å
191E55.1Low72.5Confident145 Ų14572.6 Ų72.668%0.67839%0.39SS*.  trans-68.5137.5160.9-65.1-167.4-175.300107.5D193E191-D193 PolarHBondContact O-N 3.24Å; E191-D193 VanDerWaalsContact O-N 3.16Å
192E52Low72Confident152 Ų15273 Ų7371%0.7139%0.393SS*.THydrogen-bonded Turntrans-70.4-7.1-171.6-77178.4170.500113.8
193D49Very low71.6Confident152 Ų15275.4 Ų75.481%0.81340%0.404SS*.THydrogen-bonded Turntrans-122.10.1-167.1-69.1-37.3000115.4E191E191-D193 PolarHBondContact O-N 3.24Å; E191-D193 VanDerWaalsContact O-N 3.16Å
194D46.3Very low71.3Confident109 Ų10978.4 Ų78.458%0.58342%0.423SS*.  trans-101110.6176.5-75.9-28000110.7D196D194-D196 HydrophobicContact CB-CB 4.13Å; D194-D196 PolarHBondContact O-N 2.96Å
195D49.4Very low71.1Confident178 Ų17878.4 Ų78.495%0.95242%0.423SS*.  trans-64.317.7161.1-74.2-42.9000112.1
196D50.6Low71Confident126 Ų12679.6 Ų79.667%0.67443%0.429SS*.  trans-94.1129.8-176.1-16234.8000110.4D194 G198D194-D196 HydrophobicContact CB-CB 4.13Å; D194-D196 PolarHBondContact O-N 2.96Å; D196-G198 PolarHBondContact O-N 3.39Å
197D52.1Low70.9Confident135 Ų13585.2 Ų85.272%0.72245%0.453SS*.G310 helixtrans-65.115.2-177.6-66.8-48.3000113.8D199 E200D197-D199 PolarHBondContact O-N 3.46Å; D197-E200 PolarHBondContact O-N 2.89Å
198G53Low71.1Confident66 Ų6683.8 Ų83.868%0.6845%0.453SS*.G310 helixtrans-67.9-24.8-163.400000116.4D196D196-G198 PolarHBondContact O-N 3.39Å
199D62.3Low71.8Confident35 Ų3583.3 Ų83.319%0.18745%0.45CS..G310 helixtrans-115.819-179.4-158.731000114.1N189 D197 G201 S202 E203N189-D199 PolarHBondContact N-OD2 3.05Å; D197-D199 PolarHBondContact O-N 3.46Å; D199-G201 PolarHBondContact O-N 3.25Å; D199-S202 PolarHBondContact O-N 3.28Å; D199-S202 WeakPolarHBondContact OD1-CB 3.48Å; D199-S202 PolarHBondContact OD1-OG 3.24Å; D199-E203 PolarHBondContact O-N 3.05Å
200E76.1Confident73Confident127 Ų12781 Ų8159%0.59344%0.437SS*.Hα-helixtrans-56-36.4178.1-170.2-179.5-164.800111.5D197 E203 V204D197-E200 PolarHBondContact O-N 2.89Å; E200-E203 PolarHBondContact O-N 3.45Å; E200-V204 HydrophobicContact CG-CG2 4.31Å; E200-V204 VanDerWaalsContact O-CG2 3.26Å; E200-V204 WeakPolarHBondContact O-CG2 3.23Å; E200-V204 PolarHBondContact O-N 3.21Å
201G84.5Confident74.5Confident30 Ų3084.7 Ų84.731%0.30946%0.456SS..Hα-helixtrans-62.1-46.5-179.500000113.9V160 D199 V204 L205V160-G201 WeakPolarHBondContact CG2-O 3.3Å; D199-G201 PolarHBondContact O-N 3.25Å; G201-V204 PolarHBondContact O-N 3.2Å; G201-L205 WeakPolarHBondContact O-CB 3.45Å; G201-L205 PolarHBondContact O-N 2.84Å
202S87.1Confident76.2Confident10 Ų1079.3 Ų79.37%0.0743%0.43CS..Hα-helixtrans-70.2-34.9-179.6-49.70000111.4D199 L205 L206D199-S202 PolarHBondContact O-N 3.28Å; D199-S202 WeakPolarHBondContact OD1-CB 3.48Å; D199-S202 PolarHBondContact OD1-OG 3.24Å; S202-L205 PolarHBondContact O-N 2.79Å; S202-L206 WeakPolarHBondContact O-CB 3.27Å; S202-L206 PolarHBondContact O-N 3.43Å
203E89.6Confident78.3Confident50 Ų5073.2 Ų73.223%0.23440%0.404CS..Hα-helixtrans-64.4-44.4173.4-73.6-162.2-179.300112.4K190 D199 E200 L205 L206 K207K190-E203 WeakPolarHBondContact CD-OE1 3.39Å; K190-E203 WeakPolarHBondContact CE-OE1 3.32Å; K190-E203 IonicContact NZ-OE1 2.69Å; K190-E203 PolarHBondContact NZ-OE1 3.04Å; K190-E203 IonicContact NZ-OE2 3.95Å; D199-E203 PolarHBondContact O-N 3.05Å; E200-E203 PolarHBondContact O-N 3.45Å; E203-L205 VanDerWaalsContact C-N 3.33Å; E203-L206 PolarHBondContact O-N 3.42Å; E203-K207 WeakPolarHBondContact O-CB 3.16Å; E203-K207 VanDerWaalsContact O-CG 3.29Å; E203-K207 WeakPolarHBondContact O-CG 3.47Å; E203-K207 PolarHBondContact O-N 3.25Å; E203-K207 IonicContact OE2-NZ 3.35Å; E203-K207 PolarHBondContact OE2-NZ 3.41Å
204V92.4Very high80.5Confident64 Ų6470.2 Ų70.239%0.38839%0.388SS..Hα-helixtrans-64.2-41.9176.9174.10000110.2V160 E200 G201 K207 G208V160-V204 HydrophobicContact CG1-CB 4.25Å; V160-V204 HydrophobicContact CG1-CG1 3.85Å; E200-V204 HydrophobicContact CG-CG2 4.31Å; E200-V204 VanDerWaalsContact O-CG2 3.26Å; E200-V204 WeakPolarHBondContact O-CG2 3.23Å; E200-V204 PolarHBondContact O-N 3.21Å; G201-V204 PolarHBondContact O-N 3.2Å; V204-K207 PolarHBondContact O-N 3.01Å; V204-G208 PolarHBondContact O-N 2.92Å
205L94.8Very high82.8Confident0 Ų066 Ų660%037%0.366CS..Hα-helixtrans-58.8-50.6174.8178.359.8000111.3L150 L154 V160 V163 L164 V186 G201 S202 E203 K207 G208 L209L150-L205 HydrophobicContact CD2-CD2 4.44Å; L150-L205 HydrophobicContact CG-CD2 4.45Å; L154-L205 HydrophobicContact CD1-CB 4.3Å; L154-L205 HydrophobicContact CD1-CD2 3.92Å; L154-L205 HydrophobicContact CG-CD2 4.3Å; V160-L205 HydrophobicContact CG1-CB 3.94Å; V160-L205 HydrophobicContact CG1-CD1 4.46Å; V163-L205 HydrophobicContact CB-CD1 4.01Å; V163-L205 HydrophobicContact CG1-CD1 3.57Å; V163-L205 HydrophobicContact CG1-CD2 3.95Å; V163-L205 HydrophobicContact CG1-CG 4.44Å; L164-L205 HydrophobicContact CD2-CD1 3.82Å; L164-L205 HydrophobicContact CG-CD1 4.02Å; V186-L205 HydrophobicContact CG1-CD2 4.24Å; V186-L205 HydrophobicContact CG2-CD2 4.26Å; V186-L205 HydrophobicContact CG2-CG 4.44Å; G201-L205 WeakPolarHBondContact O-CB 3.45Å; G201-L205 PolarHBondContact O-N 2.84Å; S202-L205 PolarHBondContact O-N 2.79Å; E203-L205 VanDerWaalsContact C-N 3.33Å; L205-K207 PolarHBondContact O-N 3.19Å; L205-G208 PolarHBondContact O-N 3.12Å; L205-L209 HydrophobicContact CD1-CD1 3.79Å; L205-L209 HydrophobicContact CD1-CG 4.06Å; L205-L209 HydrophobicContact CG-CD1 3.91Å; L205-L209 WeakPolarHBondContact O-CG 3.44Å; L205-L209 PolarHBondContact O-N 3.47Å
206L94.8Very high84.9Confident24 Ų2458.9 Ų58.913%0.12633%0.327CS..Hα-helixtrans-57.2-50.7179175.960.5000111.3L23 V186 S202 E203 G208 L209 I210L23-L206 HydrophobicContact CD2-CD1 3.91Å; V186-L206 HydrophobicContact CG1-CB 4.41Å; S202-L206 WeakPolarHBondContact O-CB 3.27Å; S202-L206 PolarHBondContact O-N 3.43Å; E203-L206 PolarHBondContact O-N 3.42Å; L206-G208 VanDerWaalsContact C-N 3.29Å; L206-G208 PolarHBondContact O-N 3.11Å; L206-L209 PolarHBondContact O-N 3.06Å; L206-I210 HydrophobicContact CD1-CD1 3.97Å; L206-I210 HydrophobicContact CD1-CG1 4.14Å; L206-I210 HydrophobicContact CG-CD1 3.91Å; L206-I210 HydrophobicContact CG-CG1 4.5Å; L206-I210 WeakPolarHBondContact O-CG1 3.24Å; L206-I210 PolarHBondContact O-N 3.33Å
207K94.1Very high87Confident118 Ų11853 Ų5351%0.51330%0.296SS..Hα-helixtrans-57.2-43.9177.9-72.2167-171.8157.30111.3E203 V204 L205 H211E203-K207 WeakPolarHBondContact O-CB 3.16Å; E203-K207 VanDerWaalsContact O-CG 3.29Å; E203-K207 WeakPolarHBondContact O-CG 3.47Å; E203-K207 PolarHBondContact O-N 3.25Å; E203-K207 IonicContact OE2-NZ 3.35Å; E203-K207 PolarHBondContact OE2-NZ 3.41Å; V204-K207 PolarHBondContact O-N 3.01Å; L205-K207 PolarHBondContact O-N 3.19Å; K207-H211 PolarHBondContact O-CD2 3.19Å
208G95.3Very high88.8Confident19 Ų1948.4 Ų48.420%0.19627%0.27CS..Hα-helixtrans-63.5-40.1177.900000113.2V204 L205 L206 Q212V204-G208 PolarHBondContact O-N 2.92Å; L205-G208 PolarHBondContact O-N 3.12Å; L206-G208 VanDerWaalsContact C-N 3.29Å; L206-G208 PolarHBondContact O-N 3.11Å; G208-Q212 WeakPolarHBondContact O-CG 3.44Å
209L96.6Very high90.5Very high0 Ų045.4 Ų45.40%024%0.239CC..Hα-helixtrans-75.6-32-180-66.4172000113.3F21 L23 L150 L164 S167 V186 L205 L206 H211 Q212 C213F21-L209 HydrophobicContact CE1-CD2 4.26Å; F21-L209 HydrophobicContact CZ-CD2 4.23Å; L23-L209 HydrophobicContact CD1-CB 4.03Å; L23-L209 HydrophobicContact CD1-CD1 3.98Å; L23-L209 HydrophobicContact CD2-CB 3.71Å; L150-L209 HydrophobicContact CD2-CD1 3.81Å; L164-L209 HydrophobicContact CD2-CD2 4.01Å; L164-L209 HydrophobicContact CD2-CG 3.99Å; S167-L209 VanDerWaalsContact CB-CD2 3.42Å; V186-L209 HydrophobicContact CG2-CD1 3.54Å; L205-L209 HydrophobicContact CD1-CD1 3.79Å; L205-L209 HydrophobicContact CD1-CG 4.06Å; L205-L209 HydrophobicContact CG-CD1 3.91Å; L205-L209 WeakPolarHBondContact O-CG 3.44Å; L205-L209 PolarHBondContact O-N 3.47Å; L206-L209 PolarHBondContact O-N 3.06Å; L209-H211 PolarHBondContact O-N 3.12Å; L209-Q212 CarbonylContact O-C 3.55Å; L209-Q212 WeakPolarHBondContact O-CA 3.39Å; L209-Q212 PolarHBondContact O-N 3.25Å; L209-C213 PolarHBondContact O-N 3.09Å
210I95.6Very high91.5Very high71 Ų7146.5 Ų46.536%0.36424%0.243SC..Hα-helixtrans-57.1-37.7173.9-73.7168.5000110.8L23 L206 Q212 C213L23-I210 HydrophobicContact CD2-CG1 3.77Å; L206-I210 HydrophobicContact CD1-CD1 3.97Å; L206-I210 HydrophobicContact CD1-CG1 4.14Å; L206-I210 HydrophobicContact CG-CD1 3.91Å; L206-I210 HydrophobicContact CG-CG1 4.5Å; L206-I210 WeakPolarHBondContact O-CG1 3.24Å; L206-I210 PolarHBondContact O-N 3.33Å; I210-Q212 PolarHBondContact O-N 3.01Å; I210-C213 PolarHBondContact O-SG 2.94Å; I210-C213 VanDerWaalsContact O-SG 3.36Å
211H93.6Very high91.5Very high168 Ų16841.8 Ų41.878%0.77823%0.228SC*.THydrogen-bonded Turntrans-71.8-14.1175.7-70.8-59.4000114.1K207 L209K207-H211 PolarHBondContact O-CD2 3.19Å; L209-H211 PolarHBondContact O-N 3.12Å
212Q91.8Very high90.7Very high31 Ų3142.5 Ų42.515%0.14523%0.225CC..THydrogen-bonded Turntrans-102.4-26.5-179.3-61.7-175.333.100113F21 R171 G208 L209 I210F21-Q212 HydrophobicContact CD1-CB 4.21Å; F21-Q212 HydrophobicContact CE1-CB 4.05Å; R171-Q212 WeakPolarHBondContact CD-O 3.16Å; R171-Q212 PolarHBondContact NE-O 3.33Å; G208-Q212 WeakPolarHBondContact O-CG 3.44Å; L209-Q212 CarbonylContact O-C 3.55Å; L209-Q212 WeakPolarHBondContact O-CA 3.39Å; L209-Q212 PolarHBondContact O-N 3.25Å; I210-Q212 PolarHBondContact O-N 3.01Å
213C95.6Very high89.5Confident24 Ų2447.6 Ų47.616%0.16226%0.257CS..  trans-79.1156.8-176.270.70000113F21 L23 L209 I210F21-C213 VanDerWaalsContact CD1-CA 3.42Å; F21-C213 HydrophobicContact CD1-CB 3.71Å; F21-C213 HydrophobicContact CE1-CB 3.91Å; F21-C213 HydrophobicContact CG-CB 4.04Å; F21-C213 HydrophobicContact CZ-CB 4.41Å; F21-C213 WeakPolarHBondContact O-CB 3.28Å; L23-C213 HydrophobicContact CB-CB 3.76Å; L209-C213 PolarHBondContact O-N 3.09Å; I210-C213 PolarHBondContact O-SG 2.94Å; I210-C213 VanDerWaalsContact O-SG 3.36Å
214N95.6Very high88.5Confident90 Ų9051.3 Ų51.348%0.48128%0.284SS..SBendtrans-86.9-30.8171.2-63.885.9000111.6E20 F21E20-N214 HydrophobicContact CB-CB 4.37Å; E20-N214 HydrophobicContact CG-CB 4.42Å; F21-N214 PolarHBondContact N-OD1 3.35Å; F21-N214 PolarHBondContact O-N 3.04Å
215L94.6Very high86.9Confident20 Ų2050.2 Ų50.211%0.10529%0.285CS..EExtended strand (participates in β ladder)trans-143.9132.7-174.2168.759.4000108.6L9 F21 I22 L23 L217 D236L9-L215 HydrophobicContact CD1-CD2 4.49Å; L9-L215 HydrophobicContact CD2-CD2 3.72Å; F21-L215 PolarHBondContact O-N 3.38Å; I22-L215 CarbonylContact C-O 3.57Å; I22-L215 WeakPolarHBondContact CA-O 3.43Å; I22-L215 HydrophobicContact CD1-CD2 4.29Å; I22-L215 HydrophobicContact CG1-CB 4.38Å; I22-L215 HydrophobicContact CG1-CD2 4.15Å; I22-L215 HydrophobicContact CG2-CB 4.49Å; I22-L215 HydrophobicContact CG2-CD2 4.02Å; I22-L215 HydrophobicContact CG2-CG 4.12Å; L23-L215 PolarHBondContact N-O 2.97Å; L215-L217 HydrophobicContact CD1-CD2 3.95Å; L215-L217 HydrophobicContact CD1-CG 4.43Å; L215-L217 HydrophobicContact CD2-CD2 4.3Å; L215-L217 HydrophobicContact CD2-CG 4.34Å; L215-L217 HydrophobicContact CG-CD2 4.24Å; L215-L217 HydrophobicContact CG-CG 4.23Å; L215-D236 HydrophobicContact CD1-CB 4.22Å; L215-D236 WeakPolarHBondContact CD1-OD1 3.38Å; L215-D236 WeakPolarHBondContact CD1-OD2 3.44Å
216N94Very high85.3Confident28 Ų2859.5 Ų59.515%0.1532%0.322CS..EExtended strand (participates in β ladder)trans-120.4107.6174.3172.951.3000110.6L23 S25 H218L23-N216 HydrophobicContact CB-CB 4.48Å; L23-N216 CarbonylContact O-C 3.54Å; L23-N216 WeakPolarHBondContact O-CA 3.23Å; S25-N216 PolarHBondContact OG-OD1 3.08Å; N216-H218 PolarHBondContact O-N 3Å
217L93.1Very high83.3Confident3 Ų360.4 Ų60.42%0.01633%0.33CS..EExtended strand (participates in β ladder)trans-88.2104.7173.5-61.1179.7000109.6L9 I22 L23 V24 S25 L34 F38 L215 V234 C235 D236L9-L217 HydrophobicContact CD2-CD2 4.39Å; I22-L217 HydrophobicContact CG2-CD1 4.22Å; I22-L217 HydrophobicContact CG2-CG 4.38Å; L23-L217 PolarHBondContact O-N 3.43Å; V24-L217 WeakPolarHBondContact CA-O 3.49Å; S25-L217 PolarHBondContact N-O 3.41Å; L34-L217 HydrophobicContact CD1-CB 4.16Å; L34-L217 HydrophobicContact CD1-CD1 4.42Å; F38-L217 HydrophobicContact CE2-CD1 3.87Å; F38-L217 HydrophobicContact CZ-CD1 3.83Å; L215-L217 HydrophobicContact CD1-CD2 3.95Å; L215-L217 HydrophobicContact CD1-CG 4.43Å; L215-L217 HydrophobicContact CD2-CD2 4.3Å; L215-L217 HydrophobicContact CD2-CG 4.34Å; L215-L217 HydrophobicContact CG-CD2 4.24Å; L215-L217 HydrophobicContact CG-CG 4.23Å; L217-V234 HydrophobicContact CB-CG1 4.36Å; L217-V234 HydrophobicContact CD2-CG1 4.42Å; L217-C235 CarbonylContact C-O 3.23Å; L217-C235 WeakPolarHBondContact CA-O 3.4Å; L217-D236 HydrophobicContact CD2-CB 4.31Å
218H90.7Very high81.6Confident39 Ų3962.7 Ų62.718%0.18134%0.339CS..EExtended strand (participates in β ladder)trans-98120.5-180-171.462000111.6S25 N216 V234 C235S25-H218 CarbonylContact O-C 3.52Å; S25-H218 WeakPolarHBondContact O-CA 3.45Å; S25-H218 PolarHBondContact OG-ND1 3.29Å; N216-H218 PolarHBondContact O-N 3Å; H218-V234 CarbonylContact O-C 3.55Å; H218-V234 WeakPolarHBondContact O-CA 3.48Å; H218-C235 PolarHBondContact N-O 3.14Å; H218-C235 PolarHBondContact O-N 2.8Å
219V88.6Confident79.5Confident3 Ų368.5 Ų68.52%0.01837%0.366CS..EExtended strand (participates in β ladder)trans-104123176.6-171.70000109.8S25 D26 R27 A31 F33 L34 Q233 V234S25-V219 PolarHBondContact O-N 3.44Å; D26-V219 CarbonylContact C-O 3.59Å; D26-V219 VanDerWaalsContact CA-O 3.23Å; D26-V219 WeakPolarHBondContact CA-O 3.44Å; D26-V219 HydrophobicContact CB-CB 4.21Å; R27-V219 PolarHBondContact N-O 3.01Å; A31-V219 HydrophobicContact CB-CB 3.94Å; A31-V219 HydrophobicContact CB-CG2 3.58Å; F33-V219 HydrophobicContact CE1-CG1 4.24Å; F33-V219 HydrophobicContact CE1-CG2 4.3Å; F33-V219 HydrophobicContact CZ-CG2 4.31Å; L34-V219 HydrophobicContact CD1-CG2 3.62Å; V219-Q233 WeakPolarHBondContact CA-O 3.35Å; V219-V234 HydrophobicContact CG2-CG2 4.18Å
220Q83.3Confident77.7Confident58 Ų5872.6 Ų72.627%0.27139%0.387SS..EExtended strand (participates in β ladder)trans-136.8153.3177.960.7-177.2-21.400111.6G232 Q233Q220-G232 CarbonylContact O-C 3.58Å; Q220-G232 WeakPolarHBondContact O-CA 3.33Å; Q220-Q233 HydrophobicContact CG-CG 3.58Å; Q220-Q233 PolarHBondContact N-O 3.48Å; Q220-Q233 VanDerWaalsContact N-O 3.09Å; Q220-Q233 PolarHBondContact O-N 2.79Å
221G75.4Confident75.8Confident28 Ų2875.9 Ų75.929%0.28940%0.401SS..  trans-58157.1168.900000112
222L69.1Low74.4Confident44 Ų4469 Ų6923%0.2338%0.375CS..  trans-70.3135.8174-69.6175000110T224 G225 C227 I230L222-T224 PolarHBondContact O-N 2.79Å; L222-G225 PolarHBondContact O-N 3.23Å; L222-C227 HydrophobicContact CD1-CB 4.38Å; L222-I230 HydrophobicContact CD1-CB 3.93Å; L222-I230 HydrophobicContact CD1-CG2 3.69Å; L222-I230 HydrophobicContact CD2-CG2 4.37Å; L222-I230 HydrophobicContact CG-CG2 4.22Å
223P60.8Low73.3Confident117 Ų11770.9 Ų70.976%0.7638%0.384SS*.THydrogen-bonded Turntrans-64.1-13.6176.424.8-32.3000112.9
224T69.8Low72.1Confident128 Ų12873 Ų7379%0.78540%0.396SS*.THydrogen-bonded Turntrans-89.51.417856.90000113.9L222L222-T224 PolarHBondContact O-N 2.79Å
225G59.2Low70.8Confident41 Ų4171.1 Ų71.142%0.42339%0.389SS..  trans89.4-174.7-176.600000114.3L222 C227L222-G225 PolarHBondContact O-N 3.23Å; G225-C227 PolarHBondContact O-N 3.08Å
226Y59.6Low69Low196 Ų19676.8 Ų76.877%0.76942%0.42SS*.  trans-65.8129.8-172.3178.5-98.4000112.9
227C54.2Low67.7Low43 Ų4379.3 Ų79.329%0.29143%0.433SS..  trans-117.9137.4167.3-176.10000109L222 G225 D229 I230L222-C227 HydrophobicContact CD1-CB 4.38Å; G225-C227 PolarHBondContact O-N 3.08Å; C227-D229 PolarHBondContact O-N 2.85Å; C227-I230 HydrophobicContact CB-CB 4.08Å; C227-I230 PolarHBondContact O-N 3.19Å; C227-I230 VanDerWaalsContact O-O 3.06Å
228K57.7Low66.4Low165 Ų16583.3 Ų83.372%0.71746%0.455SS*.SBendtrans-63.9-27.4179.5-168177.8177.8-176.90112.8
229D51.6Low65.1Low141 Ų14185.7 Ų85.775%0.75447%0.471SS*.SBendtrans-102.9-14.3-174.3-57.3-41.9000112.8C227C227-D229 PolarHBondContact O-N 2.85Å
230I57.6Low63.7Low87 Ų8790.6 Ų90.645%0.44650%0.497SS..  trans-130.2113.3-176.7-50.4171.4000109.3L222 C227L222-I230 HydrophobicContact CD1-CB 3.93Å; L222-I230 HydrophobicContact CD1-CG2 3.69Å; L222-I230 HydrophobicContact CD2-CG2 4.37Å; L222-I230 HydrophobicContact CG-CG2 4.22Å; C227-I230 HydrophobicContact CB-CB 4.08Å; C227-I230 PolarHBondContact O-N 3.19Å; C227-I230 VanDerWaalsContact O-O 3.06Å
231H56.8Low62.4Low139 Ų13992.6 Ų92.664%0.64451%0.511SS*.  trans-89-11.4-174.6-65.476.9000113.5S29S29-H231 PolarHBondContact OG-O 3.05Å
232G62.9Low61.6Low23 Ų2396.9 Ų96.924%0.23753%0.526CS..  trans160.5-170.3-178.700000111.8Q220Q220-G232 CarbonylContact O-C 3.58Å; Q220-G232 WeakPolarHBondContact O-CA 3.33Å
233Q69.6Low61Low72 Ų72100.7 Ų100.734%0.33655%0.547SS..EExtended strand (participates in β ladder)trans-124.1147.2173.161.6-173.8-4.400110.5V219 Q220V219-Q233 WeakPolarHBondContact CA-O 3.35Å; Q220-Q233 HydrophobicContact CG-CG 3.58Å; Q220-Q233 PolarHBondContact N-O 3.48Å; Q220-Q233 VanDerWaalsContact N-O 3.09Å; Q220-Q233 PolarHBondContact O-N 2.79Å
234V70.3Confident61.1Low68 Ų6899.5 Ų99.541%0.41253%0.531SS..EExtended strand (participates in β ladder)trans-107.8122.5172.2-172.40000107.6F33 L217 H218 V219F33-V234 HydrophobicContact CZ-CG2 4.01Å; L217-V234 HydrophobicContact CB-CG1 4.36Å; L217-V234 HydrophobicContact CD2-CG1 4.42Å; H218-V234 CarbonylContact O-C 3.55Å; H218-V234 WeakPolarHBondContact O-CA 3.48Å; V219-V234 HydrophobicContact CG2-CG2 4.18Å
235C68.6Low60.3Low51 Ų5197.1 Ų97.135%0.34551%0.51SS..EExtended strand (participates in β ladder)trans-111.4146.6174.1-56.70000109.4L217 H218L217-C235 CarbonylContact C-O 3.23Å; L217-C235 WeakPolarHBondContact CA-O 3.4Å; H218-C235 PolarHBondContact N-O 3.14Å; H218-C235 PolarHBondContact O-N 2.8Å
236D56.2Low60.5Low139 Ų139102.2 Ų102.274%0.74352%0.518SS*.  trans-108.30173.3-179.1-19.9000108.4L215 L217L215-D236 HydrophobicContact CD1-CB 4.22Å; L215-D236 WeakPolarHBondContact CD1-OD1 3.38Å; L215-D236 WeakPolarHBondContact CD1-OD2 3.44Å; L217-D236 HydrophobicContact CD2-CB 4.31Å

Retrieved 236 of 236 residues in 46.8 ms (Link to these results)

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