A0A061IMS3_CRIGR Loading...

Epimerase family protein SDR39U1 isoform X3

AlphaFold DB , UniProt , Accession A0A061IMS3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Sdr39u1, Length 294 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
1M94.6Very high95.7Very high54 Ų5428.1 Ų28.127%0.26616%0.157SC..  0150.70-76.1-178.1-9000109.5V3 H25 E26 D53 V54 R101 L206 E207M1-V3 HydrophobicContact CB-CG2 4.44Å; M1-H25 PolarHBondContact N-ND1 3.27Å; M1-H25 CarbonylContact O-C 3.56Å; M1-H25 WeakPolarHBondContact O-CA 3.45Å; M1-H25 WeakPolarHBondContact O-CB 3.25Å; M1-E26 PolarHBondContact O-N 3.3Å; M1-D53 WeakPolarHBondContact CA-OD2 3.42Å; M1-D53 HydrophobicContact CB-CB 4.31Å; M1-D53 HydrophobicContact CG-CB 4.3Å; M1-V54 HydrophobicContact SD-CG2 4.37Å; M1-R101 PolarHBondContact SD-NH2 3.46Å; M1-L206 HydrophobicContact CE-CD2 3.23Å; M1-L206 HydrophobicContact CE-CG 4.43Å; M1-L206 HydrophobicContact SD-CD2 3.78Å; M1-L206 HydrophobicContact SD-CG 4.5Å; M1-E207 HydrophobicContact CE-CG 3.94Å
2R97.9Very high95.8Very high89 Ų8928.8 Ų28.834%0.33616%0.16SC..EExtended strand (participates in β ladder)trans-95119.1170.3-68.6168.1-65-168.84109.3E26 L51 C52 D53 V54R2-E26 WeakPolarHBondContact CA-O 3.17Å; R2-E26 HydrophobicContact CG-CB 4.18Å; R2-E26 WeakPolarHBondContact CG-OE2 3.08Å; R2-L51 VanDerWaalsContact NH1-CG 3.33Å; R2-C52 HydrophobicContact CB-CB 4.45Å; R2-D53 PolarHBondContact N-OD2 2.82Å; R2-D53 IonicContact NE-OD1 3.65Å; R2-D53 IonicContact NH2-OD1 2.83Å; R2-D53 PolarHBondContact NH2-OD1 2.89Å; R2-D53 PolarHBondContact O-N 3.39Å; R2-V54 PolarHBondContact O-N 3.25Å
3V98.5Very high95.8Very high2 Ų226.7 Ų26.71%0.01215%0.148CC..EExtended strand (participates in β ladder)trans-116.4120.1-174.5-167.80000109.6M1 V5 L20 H25 E26 V27 T28 V54 I56 L206M1-V3 HydrophobicContact CB-CG2 4.44Å; V3-V5 HydrophobicContact CG1-CG2 3.96Å; V3-L20 HydrophobicContact CB-CD1 4.15Å; V3-L20 HydrophobicContact CG1-CD1 3.95Å; V3-L20 HydrophobicContact CG2-CD1 4.34Å; V3-L20 HydrophobicContact CG2-CD2 4.17Å; V3-H25 HydrophobicContact CG2-CB 4.24Å; V3-E26 PolarHBondContact N-O 2.81Å; V3-V27 WeakPolarHBondContact O-CA 3.33Å; V3-T28 PolarHBondContact O-N 2.97Å; V3-V54 WeakPolarHBondContact CA-O 3.08Å; V3-I56 HydrophobicContact CG1-CD1 3.95Å; V3-I56 HydrophobicContact CG1-CG1 4.16Å; V3-L206 HydrophobicContact CB-CD1 4.29Å; V3-L206 HydrophobicContact CG1-CD1 3.64Å; V3-L206 HydrophobicContact CG2-CD1 3.61Å
4L98.5Very high95.8Very high1 Ų128.7 Ų28.71%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-92121.3173.2-171.269.2000109.4T28 V30 T39 L44 L49 P50 C52 V54 V55 I56 L89L4-T28 CarbonylContact C-O 3.56Å; L4-T28 WeakPolarHBondContact CA-O 3.47Å; L4-T28 HydrophobicContact CD1-CG2 3.85Å; L4-V30 HydrophobicContact CD1-CG2 3.63Å; L4-V30 HydrophobicContact CD2-CG2 3.97Å; L4-V30 HydrophobicContact CG-CG2 3.71Å; L4-T39 HydrophobicContact CD1-CG2 4.36Å; L4-L44 HydrophobicContact CD2-CD1 4.38Å; L4-L49 HydrophobicContact CD2-CD1 3.52Å; L4-L49 HydrophobicContact CD2-CG 4.47Å; L4-P50 HydrophobicContact CD1-CG 3.76Å; L4-P50 HydrophobicContact CD2-CG 3.93Å; L4-P50 HydrophobicContact CG-CG 4.44Å; L4-C52 HydrophobicContact CB-CB 4.2Å; L4-V54 PolarHBondContact N-O 3.18Å; L4-V55 HydrophobicContact CB-CG1 4.44Å; L4-V55 HydrophobicContact CB-CG2 4.24Å; L4-V55 HydrophobicContact CD2-CG1 4.33Å; L4-V55 HydrophobicContact CD2-CG2 4.38Å; L4-V55 CarbonylContact O-C 3.55Å; L4-V55 WeakPolarHBondContact O-CA 3.32Å; L4-I56 PolarHBondContact O-N 3.18Å; L4-L89 HydrophobicContact CD2-CD2 4.15Å
5V98.6Very high95.8Very high0 Ų028.1 Ų28.10%016%0.162CC..EExtended strand (participates in β ladder)trans-117.9104.2-177-172.60000111.1V3 G7 G8 L16 L20 V27 T28 W29 V30 I56 L58V3-V5 HydrophobicContact CG1-CG2 3.96Å; V5-G7 PolarHBondContact O-N 3.14Å; V5-G8 PolarHBondContact O-N 3.24Å; V5-L16 HydrophobicContact CG1-CD2 4.38Å; V5-L16 HydrophobicContact CG2-CD2 4.49Å; V5-L20 HydrophobicContact CG2-CD1 4.41Å; V5-V27 HydrophobicContact CG2-CG1 3.88Å; V5-T28 PolarHBondContact N-O 3.27Å; V5-W29 CarbonylContact O-C 3.51Å; V5-W29 WeakPolarHBondContact O-CA 3.42Å; V5-V30 PolarHBondContact O-N 3.41Å; V5-I56 CarbonylContact C-O 3.56Å; V5-I56 WeakPolarHBondContact CA-O 3.48Å; V5-L58 HydrophobicContact CG1-CD1 3.87Å; V5-L58 HydrophobicContact CG1-CG 4.28Å
6G97.9Very high95.9Very high0 Ų026.4 Ų26.40%015%0.152CC..EExtended strand (participates in β ladder)trans-66.5126169.900000111.3G8 I56 L58 A59G6-G8 VanDerWaalsContact C-N 3.28Å; G6-G8 PolarHBondContact O-N 2.79Å; G6-I56 PolarHBondContact N-O 3.17Å; G6-L58 CarbonylContact O-C 3.5Å; G6-L58 WeakPolarHBondContact O-CA 3.36Å; G6-L58 WeakPolarHBondContact O-CB 3.4Å; G6-L58 PolarHBondContact O-N 2.97Å; G6-A59 PolarHBondContact O-N 2.97Å
7G94.6Very high96Very high15 Ų1525.3 Ų25.316%0.15515%0.146CC..THydrogen-bonded Turntrans72.220.4-175.300000114V5 T9 G10 V30V5-G7 PolarHBondContact O-N 3.14Å; G7-T9 PolarHBondContact O-N 2.83Å; G7-G10 PolarHBondContact O-N 3.48Å; G7-V30 PolarHBondContact N-O 2.83Å
8G92.4Very high96Very high0 Ų031.4 Ų31.40%017%0.173CC..THydrogen-bonded Turntrans-58.3-20.6-176.800000115.6V5 G6 G10 G13 T14V5-G8 PolarHBondContact O-N 3.24Å; G6-G8 VanDerWaalsContact C-N 3.28Å; G6-G8 PolarHBondContact O-N 2.79Å; G8-G10 PolarHBondContact O-N 3.21Å; G8-G13 CarbonylContact O-C 3.54Å; G8-G13 VanDerWaalsContact O-CA 3.32Å; G8-G13 WeakPolarHBondContact O-CA 3.4Å; G8-T14 PolarHBondContact O-N 3.35Å
9T92.4Very high96Very high65 Ų6533.1 Ų33.140%0.39918%0.181SC..THydrogen-bonded Turntrans-71.8-11.2175.256.60000113.9G7 W29G7-T9 PolarHBondContact O-N 2.83Å; T9-W29 HydrophobicContact CG2-CD2 4.36Å; T9-W29 HydrophobicContact CG2-CE3 3.38Å; T9-W29 HydrophobicContact CG2-CZ3 3.63Å
10G93.3Very high96.1Very high32 Ų3231.5 Ų31.533%0.3317%0.172SC..SBendtrans-75.7-179.4-177.700000113.6G7 G8 G13 T14G7-G10 PolarHBondContact O-N 3.48Å; G8-G10 PolarHBondContact O-N 3.21Å; G10-G13 PolarHBondContact O-N 2.93Å; G10-T14 WeakPolarHBondContact O-CB 3.49Å; G10-T14 PolarHBondContact O-N 2.74Å; G10-T14 PolarHBondContact O-OG1 3.11Å
11F94.4Very high96.2Very high51 Ų5136.3 Ų36.322%0.22419%0.192CC..Hα-helixtrans-56.3-57.6-179.9177.1-124.9000112.5T14 A15 V160 G165 I195F11-T14 PolarHBondContact O-N 3.36Å; F11-A15 PolarHBondContact O-N 3.29Å; F11-V160 HydrophobicContact CE1-CB 4.28Å; F11-V160 HydrophobicContact CE1-CG1 3.94Å; F11-G165 VanDerWaalsContact CE2-CA 3.49Å; F11-I195 HydrophobicContact CD1-CD1 3.95Å; F11-I195 HydrophobicContact CD2-CD1 3.87Å; F11-I195 HydrophobicContact CE1-CD1 3.68Å; F11-I195 HydrophobicContact CE2-CD1 3.57Å; F11-I195 HydrophobicContact CG-CD1 4.06Å; F11-I195 HydrophobicContact CZ-CB 4.48Å; F11-I195 HydrophobicContact CZ-CD1 3.5Å; F11-I195 VanDerWaalsContact CZ-CD1 3.5Å
12I96.7Very high96.3Very high37 Ų3737.8 Ų37.819%0.1921%0.212CC..Hα-helixtrans-64.4-43.6178.1-58.4165.3000110.4T14 A15 L16 L58 V160 L198 L202I12-T14 VanDerWaalsContact C-N 3.3Å; I12-T14 PolarHBondContact O-N 3.02Å; I12-A15 PolarHBondContact O-N 3.42Å; I12-L16 WeakPolarHBondContact O-CB 3.42Å; I12-L16 PolarHBondContact O-N 3.06Å; I12-L58 HydrophobicContact CB-CD1 4.25Å; I12-L58 HydrophobicContact CG2-CD1 3.93Å; I12-L58 HydrophobicContact CG2-CD2 4.27Å; I12-V160 HydrophobicContact CD1-CG2 3.97Å; I12-V160 HydrophobicContact CG1-CG1 4.35Å; I12-V160 HydrophobicContact CG1-CG2 4.31Å; I12-L198 HydrophobicContact CD1-CD2 3.8Å; I12-L198 HydrophobicContact CG1-CD2 4.06Å; I12-L198 HydrophobicContact CG2-CD2 3.89Å; I12-L198 HydrophobicContact CG2-CG 4.43Å; I12-L202 HydrophobicContact CG2-CD1 4.27Å
13G96.1Very high96.1Very high1 Ų140 Ų401%0.0122%0.221CC..Hα-helixtrans-61.3-36.2-177.600000113.7G8 G10 T17 L58G8-G13 CarbonylContact O-C 3.54Å; G8-G13 VanDerWaalsContact O-CA 3.32Å; G8-G13 WeakPolarHBondContact O-CA 3.4Å; G10-G13 PolarHBondContact O-N 2.93Å; G13-T17 VanDerWaalsContact O-CB 3.29Å; G13-T17 WeakPolarHBondContact O-CB 3.44Å; G13-T17 PolarHBondContact O-N 3.46Å; G13-T17 PolarHBondContact O-OG1 2.84Å; G13-L58 VanDerWaalsContact CA-CD1 3.48Å
14T95.3Very high96.1Very high55 Ų5542.8 Ų42.834%0.33725%0.25SC..Hα-helixtrans-67.8-47.9177.7-58.20000111.1G8 G10 F11 I12 T17 Q18G8-T14 PolarHBondContact O-N 3.35Å; G10-T14 WeakPolarHBondContact O-CB 3.49Å; G10-T14 PolarHBondContact O-N 2.74Å; G10-T14 PolarHBondContact O-OG1 3.11Å; F11-T14 PolarHBondContact O-N 3.36Å; I12-T14 VanDerWaalsContact C-N 3.3Å; I12-T14 PolarHBondContact O-N 3.02Å; T14-T17 PolarHBondContact O-N 3.01Å; T14-Q18 WeakPolarHBondContact O-CG 3.4Å; T14-Q18 PolarHBondContact O-N 2.8Å
15A96.1Very high96Very high20 Ų2043.8 Ų43.817%0.16526%0.255CS..Hα-helixtrans-63.3-44.1177.100000111.9F11 I12 T17 Q18 L19 I195F11-A15 PolarHBondContact O-N 3.29Å; I12-A15 PolarHBondContact O-N 3.42Å; A15-T17 VanDerWaalsContact C-N 3.31Å; A15-T17 PolarHBondContact O-N 3.29Å; A15-Q18 PolarHBondContact O-N 2.94Å; A15-L19 PolarHBondContact O-N 3.42Å; A15-L19 VanDerWaalsContact O-N 3.11Å; A15-I195 HydrophobicContact CB-CD1 3.47Å; A15-I195 VanDerWaalsContact CB-CD1 3.47Å; A15-I195 HydrophobicContact CB-CG1 3.58Å
16L97.9Very high96Very high0 Ų050 Ų500%028%0.284CS..Hα-helixtrans-58-44.4174.517762.4000111.5V5 I12 Q18 L19 L20 I56 L58 A199 L202 I203V5-L16 HydrophobicContact CG1-CD2 4.38Å; V5-L16 HydrophobicContact CG2-CD2 4.49Å; I12-L16 WeakPolarHBondContact O-CB 3.42Å; I12-L16 PolarHBondContact O-N 3.06Å; L16-Q18 PolarHBondContact O-N 2.85Å; L16-L19 PolarHBondContact O-N 3.4Å; L16-L20 HydrophobicContact CD1-CD1 4.01Å; L16-L20 HydrophobicContact CD1-CD2 4.49Å; L16-L20 HydrophobicContact CD1-CG 3.95Å; L16-L20 HydrophobicContact CD2-CD1 4.37Å; L16-L20 HydrophobicContact CG-CD1 3.75Å; L16-L20 HydrophobicContact CG-CG 4.16Å; L16-L20 WeakPolarHBondContact O-CB 3.32Å; L16-L20 VanDerWaalsContact O-CG 3.23Å; L16-L20 WeakPolarHBondContact O-CG 3.23Å; L16-L20 PolarHBondContact O-N 3.37Å; L16-I56 HydrophobicContact CD2-CD1 3.87Å; L16-I56 HydrophobicContact CD2-CG2 4.29Å; L16-L58 HydrophobicContact CD2-CD1 4.04Å; L16-A199 HydrophobicContact CB-CB 4.5Å; L16-A199 HydrophobicContact CD1-CB 4.5Å; L16-L202 HydrophobicContact CD1-CB 3.93Å; L16-L202 HydrophobicContact CD1-CD1 4.4Å; L16-L202 HydrophobicContact CD2-CD1 4.01Å; L16-I203 HydrophobicContact CD1-CD1 4.33Å; L16-I203 HydrophobicContact CD1-CG1 3.81Å
17T97.1Very high96Very high8 Ų851 Ų515%0.04929%0.29CS..Hα-helixtrans-64.2-40.3-179.7-610000112.2G13 T14 A15 K21 V27 W29G13-T17 VanDerWaalsContact O-CB 3.29Å; G13-T17 WeakPolarHBondContact O-CB 3.44Å; G13-T17 PolarHBondContact O-N 3.46Å; G13-T17 PolarHBondContact O-OG1 2.84Å; T14-T17 PolarHBondContact O-N 3.01Å; A15-T17 VanDerWaalsContact C-N 3.31Å; A15-T17 PolarHBondContact O-N 3.29Å; T17-K21 HydrophobicContact CG2-CD 4.19Å; T17-K21 HydrophobicContact CG2-CG 4.47Å; T17-K21 WeakPolarHBondContact O-CB 3.34Å; T17-K21 WeakPolarHBondContact O-CG 3.5Å; T17-K21 PolarHBondContact O-N 2.83Å; T17-V27 HydrophobicContact CG2-CB 4.06Å; T17-V27 HydrophobicContact CG2-CG1 3.95Å; T17-V27 HydrophobicContact CG2-CG2 4.22Å; T17-W29 HydrophobicContact CG2-CZ2 3.79Å; T17-W29 WeakPolarHBondContact OG1-CZ2 3.37Å; T17-W29 PolarHBondContact OG1-NE1 2.76Å
18Q96Very high96.1Very high135 Ų13553 Ų5363%0.63130%0.299SS*.Hα-helixtrans-60.6-47.4175.6-72.3174.8-7.100110.8T14 A15 L16 K21 A22T14-Q18 WeakPolarHBondContact O-CG 3.4Å; T14-Q18 PolarHBondContact O-N 2.8Å; A15-Q18 PolarHBondContact O-N 2.94Å; L16-Q18 PolarHBondContact O-N 2.85Å; Q18-K21 PolarHBondContact O-N 2.98Å; Q18-A22 WeakPolarHBondContact O-CB 3.4Å; Q18-A22 PolarHBondContact O-N 3.29Å
19L96.5Very high96.4Very high64 Ų6455 Ų5534%0.33531%0.306SS..Hα-helixtrans-69.8-39.4-178.5-167.962.9000112.4A15 L16 A22 R23 A199 I203A15-L19 PolarHBondContact O-N 3.42Å; A15-L19 VanDerWaalsContact O-N 3.11Å; L16-L19 PolarHBondContact O-N 3.4Å; L19-A22 PolarHBondContact O-N 3.05Å; L19-R23 WeakPolarHBondContact O-CG 3.41Å; L19-R23 PolarHBondContact O-N 3.38Å; L19-R23 VanDerWaalsContact O-N 3.14Å; L19-A199 HydrophobicContact CD2-CB 4.04Å; L19-I203 HydrophobicContact CB-CD1 3.67Å; L19-I203 HydrophobicContact CD2-CD1 3.47Å; L19-I203 VanDerWaalsContact CD2-CD1 3.47Å; L19-I203 HydrophobicContact CD2-CG1 4.5Å; L19-I203 HydrophobicContact CG-CD1 3.32Å
20L97.6Very high96.6Very high0 Ų051.9 Ų51.90%029%0.287CS..Hα-helixtrans-58.7-47.6173.1-76.3173.2000111.5V3 V5 L16 R23 G24 H25 V27 I203 L206V3-L20 HydrophobicContact CB-CD1 4.15Å; V3-L20 HydrophobicContact CG1-CD1 3.95Å; V3-L20 HydrophobicContact CG2-CD1 4.34Å; V3-L20 HydrophobicContact CG2-CD2 4.17Å; V5-L20 HydrophobicContact CG2-CD1 4.41Å; L16-L20 HydrophobicContact CD1-CD1 4.01Å; L16-L20 HydrophobicContact CD1-CD2 4.49Å; L16-L20 HydrophobicContact CD1-CG 3.95Å; L16-L20 HydrophobicContact CD2-CD1 4.37Å; L16-L20 HydrophobicContact CG-CD1 3.75Å; L16-L20 HydrophobicContact CG-CG 4.16Å; L16-L20 WeakPolarHBondContact O-CB 3.32Å; L16-L20 VanDerWaalsContact O-CG 3.23Å; L16-L20 WeakPolarHBondContact O-CG 3.23Å; L16-L20 PolarHBondContact O-N 3.37Å; L20-R23 CarbonylContact O-C 3.54Å; L20-R23 PolarHBondContact O-N 3.27Å; L20-G24 PolarHBondContact O-N 2.81Å; L20-H25 HydrophobicContact CB-CB 4.22Å; L20-H25 HydrophobicContact CD2-CB 4.4Å; L20-H25 VanDerWaalsContact O-CB 3.32Å; L20-H25 WeakPolarHBondContact O-CB 3.43Å; L20-H25 PolarHBondContact O-N 3.44Å; L20-V27 HydrophobicContact CB-CG2 3.67Å; L20-V27 HydrophobicContact CD1-CG2 3.78Å; L20-V27 HydrophobicContact CG-CG2 4.38Å; L20-I203 HydrophobicContact CD2-CD1 4Å; L20-I203 HydrophobicContact CD2-CG1 3.73Å; L20-I203 HydrophobicContact CG-CD1 4.15Å; L20-I203 HydrophobicContact CG-CG1 4.2Å; L20-L206 HydrophobicContact CD2-CD1 4.14Å
21K96.9Very high96.6Very high133 Ų13350.7 Ų50.758%0.57827%0.274SS*.Hα-helixtrans-64.7-40.7178.3-75-177.6176.1-172.40112.1T17 Q18 R23 G24 V27T17-K21 HydrophobicContact CG2-CD 4.19Å; T17-K21 HydrophobicContact CG2-CG 4.47Å; T17-K21 WeakPolarHBondContact O-CB 3.34Å; T17-K21 WeakPolarHBondContact O-CG 3.5Å; T17-K21 PolarHBondContact O-N 2.83Å; Q18-K21 PolarHBondContact O-N 2.98Å; K21-R23 PolarHBondContact O-N 3.4Å; K21-G24 PolarHBondContact O-N 3.33Å; K21-V27 HydrophobicContact CG-CG2 4.31Å
22A96.9Very high96.5Very high85 Ų8557.4 Ų57.470%0.70230%0.298SS*.Hα-helixtrans-60.8-27.3175.800000112.6Q18 L19 G24Q18-A22 WeakPolarHBondContact O-CB 3.4Å; Q18-A22 PolarHBondContact O-N 3.29Å; L19-A22 PolarHBondContact O-N 3.05Å; A22-G24 VanDerWaalsContact C-N 3.33Å
23R95.4Very high96.1Very high135 Ų13562.2 Ų62.251%0.50932%0.319SS..THydrogen-bonded Turntrans-91.912.9174.6-62.218079.990.5-7113.7L19 L20 K21 E207L19-R23 WeakPolarHBondContact O-CG 3.41Å; L19-R23 PolarHBondContact O-N 3.38Å; L19-R23 VanDerWaalsContact O-N 3.14Å; L20-R23 CarbonylContact O-C 3.54Å; L20-R23 PolarHBondContact O-N 3.27Å; K21-R23 PolarHBondContact O-N 3.4Å; R23-E207 IonicContact CZ-OE1 3.92Å; R23-E207 IonicContact CZ-OE2 2.95Å; R23-E207 IonicContact NE-OE1 3.64Å; R23-E207 PolarHBondContact NE-OE1 3.09Å; R23-E207 IonicContact NE-OE2 2.64Å; R23-E207 PolarHBondContact NE-OE2 3.36Å; R23-E207 IonicContact NH2-OE1 3.6Å; R23-E207 IonicContact NH2-OE2 3.62Å; R23-E207 PolarHBondContact NH2-OE2 2.97Å
24G96.9Very high95.9Very high61 Ų6166.1 Ų66.163%0.62935%0.345SS*.THydrogen-bonded Turntrans75.725.8175.900000114.1L20 K21 A22L20-G24 PolarHBondContact O-N 2.81Å; K21-G24 PolarHBondContact O-N 3.33Å; A22-G24 VanDerWaalsContact C-N 3.33Å
25H97.6Very high95.6Very high22 Ų2265 Ų6510%0.10234%0.344CS..  trans-96.6145.3173.6-55.5-28.7000112M1 V3 L20 E207M1-H25 PolarHBondContact N-ND1 3.27Å; M1-H25 CarbonylContact O-C 3.56Å; M1-H25 WeakPolarHBondContact O-CA 3.45Å; M1-H25 WeakPolarHBondContact O-CB 3.25Å; V3-H25 HydrophobicContact CG2-CB 4.24Å; L20-H25 HydrophobicContact CB-CB 4.22Å; L20-H25 HydrophobicContact CD2-CB 4.4Å; L20-H25 VanDerWaalsContact O-CB 3.32Å; L20-H25 WeakPolarHBondContact O-CB 3.43Å; L20-H25 PolarHBondContact O-N 3.44Å; H25-E207 IonicContact CE1-OE1 2.78Å; H25-E207 IonicContact NE2-OE1 3.48Å; H25-E207 PolarHBondContact NE2-OE1 3.22Å
26E97.6Very high95.1Very high132 Ų13270.3 Ų70.362%0.61738%0.377SS*.EExtended strand (participates in β ladder)trans-87.4136.9171.5-66.7176.9-17100109M1 R2 V3M1-E26 PolarHBondContact O-N 3.3Å; R2-E26 WeakPolarHBondContact CA-O 3.17Å; R2-E26 HydrophobicContact CG-CB 4.18Å; R2-E26 WeakPolarHBondContact CG-OE2 3.08Å; V3-E26 PolarHBondContact N-O 2.81Å
27V97.8Very high94.7Very high20 Ų2072.9 Ų72.912%0.12140%0.403CS..EExtended strand (participates in β ladder)trans-127.4125.1-175-174.30000110.1V3 V5 T17 L20 K21V3-V27 WeakPolarHBondContact O-CA 3.33Å; V5-V27 HydrophobicContact CG2-CG1 3.88Å; T17-V27 HydrophobicContact CG2-CB 4.06Å; T17-V27 HydrophobicContact CG2-CG1 3.95Å; T17-V27 HydrophobicContact CG2-CG2 4.22Å; L20-V27 HydrophobicContact CB-CG2 3.67Å; L20-V27 HydrophobicContact CD1-CG2 3.78Å; L20-V27 HydrophobicContact CG-CG2 4.38Å; K21-V27 HydrophobicContact CG-CG2 4.31Å
28T97.6Very high94.4Very high56 Ų5677.1 Ų77.134%0.34442%0.418SS..EExtended strand (participates in β ladder)trans-114130.1170.8-59.50000108.5V3 L4 V5 T39V3-T28 PolarHBondContact O-N 2.97Å; L4-T28 CarbonylContact C-O 3.56Å; L4-T28 WeakPolarHBondContact CA-O 3.47Å; L4-T28 HydrophobicContact CD1-CG2 3.85Å; V5-T28 PolarHBondContact N-O 3.27Å; T28-T39 HydrophobicContact CG2-CG2 4.48Å
29W97.5Very high94.4Very high43 Ų4371.8 Ų71.816%0.16340%0.395CS..EExtended strand (participates in β ladder)trans-92.5144.7177-63.6-15.6000111.9V5 T9 T17 G37 R38 T39V5-W29 CarbonylContact O-C 3.51Å; V5-W29 WeakPolarHBondContact O-CA 3.42Å; T9-W29 HydrophobicContact CG2-CD2 4.36Å; T9-W29 HydrophobicContact CG2-CE3 3.38Å; T9-W29 HydrophobicContact CG2-CZ3 3.63Å; T17-W29 HydrophobicContact CG2-CZ2 3.79Å; T17-W29 WeakPolarHBondContact OG1-CZ2 3.37Å; T17-W29 PolarHBondContact OG1-NE1 2.76Å; W29-G37 PolarHBondContact N-O 3.03Å; W29-R38 HydrophobicContact CB-CG 4.18Å; W29-R38 HydrophobicContact CE3-CG 4.32Å; W29-R38 CarbonylContact O-C 3.55Å; W29-R38 VanDerWaalsContact O-CA 3.25Å; W29-R38 WeakPolarHBondContact O-CA 3.43Å; W29-T39 PolarHBondContact O-N 3.04Å
30V97.3Very high94.4Very high0 Ų069 Ų690%038%0.381CS..EExtended strand (participates in β ladder)trans-100.2121.1161.4-164.20000108.6L4 V5 G7 T39 W41 L44L4-V30 HydrophobicContact CD1-CG2 3.63Å; L4-V30 HydrophobicContact CD2-CG2 3.97Å; L4-V30 HydrophobicContact CG-CG2 3.71Å; V5-V30 PolarHBondContact O-N 3.41Å; G7-V30 PolarHBondContact N-O 2.83Å; V30-T39 VanDerWaalsContact CA-O 3.29Å; V30-T39 WeakPolarHBondContact CA-O 3.4Å; V30-T39 HydrophobicContact CB-CG2 4.43Å; V30-T39 HydrophobicContact CG1-CG2 4.32Å; V30-T39 HydrophobicContact CG2-CG2 3.94Å; V30-W41 HydrophobicContact CB-CE3 4.42Å; V30-W41 HydrophobicContact CB-CH2 4.15Å; V30-W41 HydrophobicContact CB-CZ2 4.23Å; V30-W41 HydrophobicContact CB-CZ3 4.26Å; V30-W41 HydrophobicContact CG1-CD2 3.53Å; V30-W41 HydrophobicContact CG1-CE3 3.5Å; V30-W41 VanDerWaalsContact CG1-CE3 3.5Å; V30-W41 HydrophobicContact CG1-CG 4.09Å; V30-W41 HydrophobicContact CG1-CH2 4.08Å; V30-W41 HydrophobicContact CG1-CZ2 4.09Å; V30-W41 HydrophobicContact CG1-CZ3 3.8Å; V30-L44 HydrophobicContact CG1-CD2 4.33Å
31S94.1Very high94.3Very high7 Ų770.8 Ų70.85%0.04939%0.387CS..EExtended strand (participates in β ladder)trans-136.4168.5-177.152.80000113.2Q33 R38 T39 T40 W41S31-Q33 VanDerWaalsContact C-N 3.32Å; S31-Q33 PolarHBondContact OG-O 3.44Å; S31-R38 WeakPolarHBondContact OG-CD 3.46Å; S31-T39 PolarHBondContact N-O 2.86Å; S31-T40 VanDerWaalsContact O-CA 3.27Å; S31-T40 WeakPolarHBondContact O-CA 3.36Å; S31-W41 PolarHBondContact O-N 2.83Å
32R91.4Very high94.2Very high192 Ų19268.2 Ų68.273%0.72539%0.386SS*.SBendtrans-69.5-31.6174.5-68.8178.4-69.1-163.4-3.9112.7E61R32-E61 IonicContact NH1-OE2 3.54Å
33Q89.4Confident94.1Very high137 Ų13767.8 Ų67.864%0.6437%0.369SS*.SBendtrans-110.8142.8-177.4-62.9-62.2-22.600110S31S31-Q33 VanDerWaalsContact C-N 3.32Å; S31-Q33 PolarHBondContact OG-O 3.44Å
34P90.6Very high94.2Very high84 Ų8461.5 Ų61.555%0.54535%0.346SS..  trans-69.7165.1175.530.9-35.2000111.3T40P34-T40 HydrophobicContact CB-CG2 3.94Å
35G88.5Confident94.1Very high30 Ų3062.5 Ų62.531%0.30934%0.343SS..BIsolated β-bridgetrans165174.4173.500000113.3G37 R38G35-G37 PolarHBondContact O-N 3Å; G35-R38 WeakPolarHBondContact O-CB 3.37Å; G35-R38 PolarHBondContact O-N 3.22Å
36P86.9Confident93.9Very high133 Ų13371.5 Ų71.586%0.86438%0.376SS*.THydrogen-bonded Turntrans-58.9130.1-179.6-23.433.6000112.3R38P36-R38 PolarHBondContact O-N 3.41Å
37G88.1Confident93.8Very high53 Ų5370 Ų7055%0.54638%0.38SS..THydrogen-bonded Turntrans68.720.3-177.300000113.9W29 G35W29-G37 PolarHBondContact N-O 3.03Å; G35-G37 PolarHBondContact O-N 3Å
38R92.5Very high93.6Very high97 Ų9770.5 Ų70.537%0.36639%0.39SS..EExtended strand (participates in β ladder)trans-130146.7-179.7-45.1-173.7-178.4171-2.2111W29 S31 G35 P36W29-R38 HydrophobicContact CB-CG 4.18Å; W29-R38 HydrophobicContact CE3-CG 4.32Å; W29-R38 CarbonylContact O-C 3.55Å; W29-R38 VanDerWaalsContact O-CA 3.25Å; W29-R38 WeakPolarHBondContact O-CA 3.43Å; S31-R38 WeakPolarHBondContact OG-CD 3.46Å; G35-R38 WeakPolarHBondContact O-CB 3.37Å; G35-R38 PolarHBondContact O-N 3.22Å; P36-R38 PolarHBondContact O-N 3.41Å
39T94.5Very high93.5Very high23 Ų2369.2 Ų69.214%0.14138%0.381CS..EExtended strand (participates in β ladder)trans-117.2155.9162-172.90000109.4L4 T28 W29 V30 S31 E43L4-T39 HydrophobicContact CD1-CG2 4.36Å; T28-T39 HydrophobicContact CG2-CG2 4.48Å; W29-T39 PolarHBondContact O-N 3.04Å; V30-T39 VanDerWaalsContact CA-O 3.29Å; V30-T39 WeakPolarHBondContact CA-O 3.4Å; V30-T39 HydrophobicContact CB-CG2 4.43Å; V30-T39 HydrophobicContact CG1-CG2 4.32Å; V30-T39 HydrophobicContact CG2-CG2 3.94Å; S31-T39 PolarHBondContact N-O 2.86Å; T39-E43 VanDerWaalsContact CA-OE2 3.29Å; T39-E43 WeakPolarHBondContact CA-OE2 3.39Å; T39-E43 WeakPolarHBondContact OG1-CB 3.34Å; T39-E43 PolarHBondContact OG1-OE2 3.45Å
40T96.5Very high93.3Very high7 Ų769.6 Ų69.64%0.04339%0.389CS..EExtended strand (participates in β ladder)trans-91.5159177.963.70000112.6S31 P34 S42 E43 L44S31-T40 VanDerWaalsContact O-CA 3.27Å; S31-T40 WeakPolarHBondContact O-CA 3.36Å; P34-T40 HydrophobicContact CB-CG2 3.94Å; T40-S42 PolarHBondContact O-N 3Å; T40-S42 PolarHBondContact OG1-OG 3.05Å; T40-E43 PolarHBondContact N-OE2 2.85Å; T40-E43 PolarHBondContact O-N 3.33Å; T40-E43 WeakPolarHBondContact OG1-CB 3.36Å; T40-E43 WeakPolarHBondContact OG1-CG 3.26Å; T40-E43 PolarHBondContact OG1-N 3.25Å; T40-E43 VanDerWaalsContact OG1-N 3.12Å; T40-E43 PolarHBondContact OG1-OE1 3.39Å; T40-L44 WeakPolarHBondContact O-CB 3.41Å; T40-L44 PolarHBondContact O-N 2.68Å
41W96.4Very high93.2Very high37 Ų3774.8 Ų74.814%0.1442%0.416CS..Hα-helixtrans-59.4-34.5171.7-61.8108.3000112.4V30 S31 L44 S45 A59 T85 L88 L89V30-W41 HydrophobicContact CB-CE3 4.42Å; V30-W41 HydrophobicContact CB-CH2 4.15Å; V30-W41 HydrophobicContact CB-CZ2 4.23Å; V30-W41 HydrophobicContact CB-CZ3 4.26Å; V30-W41 HydrophobicContact CG1-CD2 3.53Å; V30-W41 HydrophobicContact CG1-CE3 3.5Å; V30-W41 VanDerWaalsContact CG1-CE3 3.5Å; V30-W41 HydrophobicContact CG1-CG 4.09Å; V30-W41 HydrophobicContact CG1-CH2 4.08Å; V30-W41 HydrophobicContact CG1-CZ2 4.09Å; V30-W41 HydrophobicContact CG1-CZ3 3.8Å; S31-W41 PolarHBondContact O-N 2.83Å; W41-L44 HydrophobicContact CE3-CD2 4.13Å; W41-L44 HydrophobicContact CZ3-CD2 4.31Å; W41-S45 WeakPolarHBondContact O-CB 3.28Å; W41-S45 PolarHBondContact O-N 2.9Å; W41-A59 HydrophobicContact CH2-CB 3.88Å; W41-A59 HydrophobicContact CZ2-CB 3.54Å; W41-T85 HydrophobicContact CD2-CG2 3.89Å; W41-T85 HydrophobicContact CE3-CG2 4.02Å; W41-T85 HydrophobicContact CH2-CG2 3.79Å; W41-T85 HydrophobicContact CZ2-CG2 3.65Å; W41-T85 HydrophobicContact CZ3-CG2 3.96Å; W41-L88 HydrophobicContact CB-CD2 4.34Å; W41-L88 HydrophobicContact CE3-CD2 3.96Å; W41-L88 WeakPolarHBondContact O-CD2 3.33Å; W41-L89 HydrophobicContact CH2-CD1 4Å; W41-L89 HydrophobicContact CZ3-CD1 3.81Å; W41-L89 HydrophobicContact CZ3-CG 3.98Å
42S95.3Very high93.4Very high78 Ų7874.9 Ų74.955%0.54542%0.416SS..Hα-helixtrans-71.4-39.4176.649.80000112.4T40 S45 R46T40-S42 PolarHBondContact O-N 3Å; T40-S42 PolarHBondContact OG1-OG 3.05Å; S42-S45 PolarHBondContact O-N 3.4Å; S42-R46 WeakPolarHBondContact O-CB 3.36Å; S42-R46 WeakPolarHBondContact O-CG 3.43Å; S42-R46 PolarHBondContact O-N 3.48Å; S42-R46 VanDerWaalsContact O-N 3.11Å
43E95Very high93.7Very high77 Ų7767.9 Ų67.936%0.3639%0.393SS..Hα-helixtrans-61.3-49.8171.1-77.2159.5-155.900111.2T39 T40 S45 R46 S47T39-E43 VanDerWaalsContact CA-OE2 3.29Å; T39-E43 WeakPolarHBondContact CA-OE2 3.39Å; T39-E43 WeakPolarHBondContact OG1-CB 3.34Å; T39-E43 PolarHBondContact OG1-OE2 3.45Å; T40-E43 PolarHBondContact N-OE2 2.85Å; T40-E43 PolarHBondContact O-N 3.33Å; T40-E43 WeakPolarHBondContact OG1-CB 3.36Å; T40-E43 WeakPolarHBondContact OG1-CG 3.26Å; T40-E43 PolarHBondContact OG1-N 3.25Å; T40-E43 VanDerWaalsContact OG1-N 3.12Å; T40-E43 PolarHBondContact OG1-OE1 3.39Å; E43-S45 VanDerWaalsContact C-N 3.26Å; E43-S45 PolarHBondContact O-N 3.31Å; E43-R46 PolarHBondContact O-N 2.81Å; E43-S47 WeakPolarHBondContact O-CB 3.27Å; E43-S47 PolarHBondContact O-N 2.75Å
44L95.9Very high94.1Very high3 Ų361.3 Ų61.32%0.01636%0.363CS..Hα-helixtrans-55.8-41.8176.9-177.776.3000111.6L4 V30 T40 W41 R46 G48 L49 L88 L89L4-L44 HydrophobicContact CD2-CD1 4.38Å; V30-L44 HydrophobicContact CG1-CD2 4.33Å; T40-L44 WeakPolarHBondContact O-CB 3.41Å; T40-L44 PolarHBondContact O-N 2.68Å; W41-L44 HydrophobicContact CE3-CD2 4.13Å; W41-L44 HydrophobicContact CZ3-CD2 4.31Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 3.48Å; L44-G48 VanDerWaalsContact O-CA 3.3Å; L44-G48 WeakPolarHBondContact O-CA 3.49Å; L44-G48 PolarHBondContact O-N 3.46Å; L44-L49 HydrophobicContact CD1-CD1 4.06Å; L44-L88 HydrophobicContact CD2-CD2 3.99Å; L44-L88 HydrophobicContact CD2-CG 3.89Å; L44-L88 HydrophobicContact CG-CG 4.46Å; L44-L89 HydrophobicContact CD2-CD2 3.52Å; L44-L89 HydrophobicContact CD2-CG 4.09Å
45S95.3Very high94.5Very high81 Ų8157.3 Ų57.357%0.56634%0.337SS*.Hα-helixtrans-67.8-28.3177.5-175.50000114.1W41 S42 E43W41-S45 WeakPolarHBondContact O-CB 3.28Å; W41-S45 PolarHBondContact O-N 2.9Å; S42-S45 PolarHBondContact O-N 3.4Å; E43-S45 VanDerWaalsContact C-N 3.26Å; E43-S45 PolarHBondContact O-N 3.31Å
46R94.8Very high95Very high211 Ų21155.9 Ų55.980%0.79632%0.322SS*.Hα-helixtrans-90.5-44.5-178.2-80.1169.629.8138.7-1.3112.6S42 E43 L44S42-R46 WeakPolarHBondContact O-CB 3.36Å; S42-R46 WeakPolarHBondContact O-CG 3.43Å; S42-R46 PolarHBondContact O-N 3.48Å; S42-R46 VanDerWaalsContact O-N 3.11Å; E43-R46 PolarHBondContact O-N 2.81Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 3.48Å
47S93.6Very high95.6Very high100 Ų10049.6 Ų49.670%0.69928%0.281SS*.Hα-helixtrans-100.7-8.3-169.5-63.20000112.8E43E43-S47 WeakPolarHBondContact O-CB 3.27Å; E43-S47 PolarHBondContact O-N 2.75Å
48G93.9Very high96Very high32 Ų3248.4 Ų48.433%0.3326%0.262SS..  trans81-172.5-178.200000112.8L44L44-G48 VanDerWaalsContact O-CA 3.3Å; L44-G48 WeakPolarHBondContact O-CA 3.49Å; L44-G48 PolarHBondContact O-N 3.46Å
49L95.7Very high96.2Very high29 Ų2944.2 Ų44.215%0.15225%0.248CC..  trans-69.6125.5-178.1-163.372.1000109.8L4 L44 V55 L89 A92 I93 A96 P100L4-L49 HydrophobicContact CD2-CD1 3.52Å; L4-L49 HydrophobicContact CD2-CG 4.47Å; L44-L49 HydrophobicContact CD1-CD1 4.06Å; L49-V55 HydrophobicContact CD1-CG2 4.04Å; L49-V55 HydrophobicContact CD2-CG2 4.12Å; L49-L89 HydrophobicContact CD1-CD2 4.4Å; L49-A92 HydrophobicContact CB-CB 4.09Å; L49-A92 HydrophobicContact CD1-CB 4.2Å; L49-I93 HydrophobicContact CD2-CG1 3.97Å; L49-A96 HydrophobicContact CD2-CB 4.33Å; L49-P100 HydrophobicContact CD2-CG 4.1Å
50P94.5Very high96.1Very high51 Ų5144.9 Ų44.933%0.33126%0.259SS..  trans-64156.1170.529.1-35.3000110L4 C52L4-P50 HydrophobicContact CD1-CG 3.76Å; L4-P50 HydrophobicContact CD2-CG 3.93Å; L4-P50 HydrophobicContact CG-CG 4.44Å; P50-C52 PolarHBondContact O-N 2.9Å; P50-C52 PolarHBondContact O-SG 3.27Å
51L95.1Very high95.8Very high108 Ų10846.4 Ų46.457%0.56527%0.266SS*.SBendtrans-59.9111179-175.161000110.4R2R2-L51 VanDerWaalsContact NH1-CG 3.33Å
52C97.3Very high95.5Very high9 Ų948.6 Ų48.66%0.06128%0.28CS..  trans-146.7152.6-177.859.90000110.7R2 L4 P50R2-C52 HydrophobicContact CB-CB 4.45Å; L4-C52 HydrophobicContact CB-CB 4.2Å; P50-C52 PolarHBondContact O-N 2.9Å; P50-C52 PolarHBondContact O-SG 3.27Å
53D98.1Very high95.2Very high45 Ų4545.4 Ų45.424%0.24126%0.258CS..SBendtrans-89.7-31.5178.9-47.5-42.6000110M1 R2 P100 R101M1-D53 WeakPolarHBondContact CA-OD2 3.42Å; M1-D53 HydrophobicContact CB-CB 4.31Å; M1-D53 HydrophobicContact CG-CB 4.3Å; R2-D53 PolarHBondContact N-OD2 2.82Å; R2-D53 IonicContact NE-OD1 3.65Å; R2-D53 IonicContact NH2-OD1 2.83Å; R2-D53 PolarHBondContact NH2-OD1 2.89Å; R2-D53 PolarHBondContact O-N 3.39Å; D53-P100 CarbonylContact O-C 3.57Å; D53-P100 WeakPolarHBondContact O-CA 3.43Å; D53-P100 VanDerWaalsContact O-CB 3.28Å; D53-P100 WeakPolarHBondContact O-CB 3.34Å; D53-R101 WeakPolarHBondContact O-CG 3.41Å; D53-R101 PolarHBondContact O-N 3.42Å
54V98.5Very high95Very high0 Ų044 Ų440%025%0.252CS..EExtended strand (participates in β ladder)trans-142.1144-178.6179.20000111.4M1 R2 V3 L4 I56 R101 A102 I104 L206M1-V54 HydrophobicContact SD-CG2 4.37Å; R2-V54 PolarHBondContact O-N 3.25Å; V3-V54 WeakPolarHBondContact CA-O 3.08Å; L4-V54 PolarHBondContact N-O 3.18Å; V54-I56 HydrophobicContact CG1-CG1 4.25Å; V54-R101 HydrophobicContact CG2-CG 4.02Å; V54-A102 WeakPolarHBondContact CA-O 3.41Å; V54-A102 HydrophobicContact CB-CB 4.47Å; V54-A102 HydrophobicContact CG1-CB 3.94Å; V54-A102 HydrophobicContact CG2-CB 3.88Å; V54-I104 HydrophobicContact CG1-CD1 4.29Å; V54-L206 HydrophobicContact CB-CD1 3.7Å; V54-L206 HydrophobicContact CB-CG 4.03Å; V54-L206 HydrophobicContact CG1-CB 4.36Å; V54-L206 HydrophobicContact CG1-CD1 3.5Å; V54-L206 VanDerWaalsContact CG1-CD1 3.5Å; V54-L206 HydrophobicContact CG1-CG 3.85Å; V54-L206 HydrophobicContact CG2-CD1 4.12Å; V54-L206 HydrophobicContact CG2-CG 3.88Å
55V98.7Very high94.7Very high0 Ų045.7 Ų45.70%026%0.262CS..EExtended strand (participates in β ladder)trans-118.4133.9174.8-174.20000109.5L4 L49 L89 I93 P100 A102 W103 I104L4-V55 HydrophobicContact CB-CG1 4.44Å; L4-V55 HydrophobicContact CB-CG2 4.24Å; L4-V55 HydrophobicContact CD2-CG1 4.33Å; L4-V55 HydrophobicContact CD2-CG2 4.38Å; L4-V55 CarbonylContact O-C 3.55Å; L4-V55 WeakPolarHBondContact O-CA 3.32Å; L49-V55 HydrophobicContact CD1-CG2 4.04Å; L49-V55 HydrophobicContact CD2-CG2 4.12Å; V55-L89 HydrophobicContact CG1-CD1 4.41Å; V55-L89 HydrophobicContact CG1-CD2 3.85Å; V55-I93 HydrophobicContact CB-CD1 4.1Å; V55-I93 HydrophobicContact CG1-CD1 4.31Å; V55-I93 HydrophobicContact CG2-CD1 4.18Å; V55-I93 HydrophobicContact CG2-CG1 4.24Å; V55-P100 HydrophobicContact CG2-CB 4.11Å; V55-P100 HydrophobicContact CG2-CG 3.81Å; V55-A102 PolarHBondContact N-O 3.06Å; V55-W103 HydrophobicContact CB-CE3 3.8Å; V55-W103 HydrophobicContact CB-CZ3 4.21Å; V55-W103 HydrophobicContact CG1-CE3 3.67Å; V55-W103 HydrophobicContact CG1-CZ3 3.54Å; V55-W103 WeakPolarHBondContact O-CA 3.47Å; V55-I104 PolarHBondContact O-N 3.46Å
56I98.8Very high94.3Very high0 Ų044.7 Ų44.70%025%0.253CS..EExtended strand (participates in β ladder)trans-126.1132.7175.5-52.9-178000108.5V3 L4 V5 G6 L16 V54 L58 I104 L206V3-I56 HydrophobicContact CG1-CD1 3.95Å; V3-I56 HydrophobicContact CG1-CG1 4.16Å; L4-I56 PolarHBondContact O-N 3.18Å; V5-I56 CarbonylContact C-O 3.56Å; V5-I56 WeakPolarHBondContact CA-O 3.48Å; G6-I56 PolarHBondContact N-O 3.17Å; L16-I56 HydrophobicContact CD2-CD1 3.87Å; L16-I56 HydrophobicContact CD2-CG2 4.29Å; V54-I56 HydrophobicContact CG1-CG1 4.25Å; I56-L58 HydrophobicContact CG2-CD2 4.01Å; I56-L58 HydrophobicContact CG2-CG 4.14Å; I56-I104 CarbonylContact C-O 3.58Å; I56-I104 VanDerWaalsContact CA-O 3.25Å; I56-I104 WeakPolarHBondContact CA-O 3.4Å; I56-I104 HydrophobicContact CD1-CD1 4.31Å; I56-I104 HydrophobicContact CG1-CB 4.14Å; I56-I104 HydrophobicContact CG1-CD1 4.25Å; I56-I104 HydrophobicContact CG1-CG1 4.48Å; I56-I104 HydrophobicContact CG2-CB 4.4Å; I56-L206 HydrophobicContact CD1-CD1 4.03Å
57N98.7Very high94Very high0 Ų045.8 Ų45.80%026%0.257CS..EExtended strand (participates in β ladder)trans-114.4121.2172.7-164.823.6000112.5A59 T86 L89 W103 I104 L105 V106N57-A59 WeakPolarHBondContact OD1-CB 3.48Å; N57-A59 PolarHBondContact OD1-N 2.9Å; N57-A59 VanDerWaalsContact OD1-N 3.11Å; N57-T86 PolarHBondContact ND2-OG1 3.49Å; N57-L89 HydrophobicContact CB-CD1 3.73Å; N57-W103 HydrophobicContact CB-CH2 3.48Å; N57-W103 VanDerWaalsContact CB-CH2 3.48Å; N57-W103 HydrophobicContact CB-CZ3 3.75Å; N57-I104 PolarHBondContact N-O 2.81Å; N57-L105 HydrophobicContact CB-CD1 4.06Å; N57-V106 PolarHBondContact O-N 2.93Å
58L97.9Very high94Very high29 Ų2944.3 Ų44.315%0.15224%0.236CC..  trans-119.55.7176.3-51.5177.3000111.3V5 G6 I12 G13 L16 I56 G60 V106 L202V5-L58 HydrophobicContact CG1-CD1 3.87Å; V5-L58 HydrophobicContact CG1-CG 4.28Å; G6-L58 CarbonylContact O-C 3.5Å; G6-L58 WeakPolarHBondContact O-CA 3.36Å; G6-L58 WeakPolarHBondContact O-CB 3.4Å; G6-L58 PolarHBondContact O-N 2.97Å; I12-L58 HydrophobicContact CB-CD1 4.25Å; I12-L58 HydrophobicContact CG2-CD1 3.93Å; I12-L58 HydrophobicContact CG2-CD2 4.27Å; G13-L58 VanDerWaalsContact CA-CD1 3.48Å; L16-L58 HydrophobicContact CD2-CD1 4.04Å; I56-L58 HydrophobicContact CG2-CD2 4.01Å; I56-L58 HydrophobicContact CG2-CG 4.14Å; L58-G60 PolarHBondContact O-N 3.49Å; L58-V106 HydrophobicContact CD2-CB 3.7Å; L58-V106 HydrophobicContact CD2-CG2 3.28Å; L58-L202 HydrophobicContact CD2-CD1 4.26Å
59A95.6Very high93.9Very high8 Ų852.5 Ų52.57%0.06626%0.257CS..  trans-69.3132.3-175.200000111.4G6 W41 N57 T85G6-A59 PolarHBondContact O-N 2.97Å; W41-A59 HydrophobicContact CH2-CB 3.88Å; W41-A59 HydrophobicContact CZ2-CB 3.54Å; N57-A59 WeakPolarHBondContact OD1-CB 3.48Å; N57-A59 PolarHBondContact OD1-N 2.9Å; N57-A59 VanDerWaalsContact OD1-N 3.11Å; A59-T85 HydrophobicContact CB-CG2 4.18Å
60G91.7Very high93.8Very high37 Ų3752.8 Ų52.838%0.38126%0.256SS..  trans176.3145.8174.200000111.5L58L58-G60 PolarHBondContact O-N 3.49Å
61E90.1Very high93.8Very high39 Ų3953.8 Ų53.818%0.18226%0.259CS..  trans-68.2145.6174.1-171.654.4-130.800110.7R32 V63 F74 S81 R82R32-E61 IonicContact NH1-OE2 3.54Å; E61-V63 PolarHBondContact O-N 3.01Å; E61-V63 VanDerWaalsContact O-N 3.09Å; E61-F74 HydrophobicContact CG-CE2 3.77Å; E61-S81 WeakPolarHBondContact CB-OG 3.29Å; E61-S81 PolarHBondContact N-OG 3.25Å; E61-R82 VanDerWaalsContact O-CZ 3.31Å; E61-R82 PolarHBondContact O-NH1 3.33Å; E61-R82 PolarHBondContact O-NH2 2.72Å
62N90.3Very high93.8Very high83 Ų8356.3 Ų56.344%0.44427%0.268SS..  trans-74.8102.9-176.9-178.80.1000111.2L64 N65 F74N62-L64 VanDerWaalsContact C-N 3.31Å; N62-L64 PolarHBondContact O-N 2.79Å; N62-L64 PolarHBondContact OD1-N 3.31Å; N62-L64 VanDerWaalsContact OD1-N 3.09Å; N62-N65 HydrophobicContact CB-CB 4.36Å; N62-N65 VanDerWaalsContact O-CB 3.29Å; N62-N65 WeakPolarHBondContact O-CB 3.37Å; N62-N65 PolarHBondContact O-N 2.68Å; N62-F74 WeakPolarHBondContact O-CZ 3.32Å
63V90.4Very high93.8Very high12 Ų1258.6 Ų58.67%0.07329%0.287CS..THydrogen-bonded Turntrans-57.6-41.7-180170.60000112.3E61 N65 W70 V78 F132 R258 M261E61-V63 PolarHBondContact O-N 3.01Å; E61-V63 VanDerWaalsContact O-N 3.09Å; V63-N65 PolarHBondContact O-N 2.84Å; V63-W70 HydrophobicContact CG1-CH2 4.38Å; V63-W70 HydrophobicContact CG1-CZ3 4.3Å; V63-V78 HydrophobicContact CG2-CB 4.48Å; V63-V78 HydrophobicContact CG2-CG1 3.64Å; V63-V78 HydrophobicContact CG2-CG2 3.94Å; V63-F132 HydrophobicContact CB-CE1 4.49Å; V63-F132 HydrophobicContact CG1-CD1 4.48Å; V63-F132 HydrophobicContact CG1-CE1 3.43Å; V63-F132 VanDerWaalsContact CG1-CE1 3.43Å; V63-F132 HydrophobicContact CG1-CZ 3.7Å; V63-F132 HydrophobicContact CG2-CE1 4.23Å; V63-R258 HydrophobicContact CG1-CG 4.13Å; V63-R258 WeakPolarHBondContact O-CD 3.39Å; V63-R258 PolarHBondContact O-NH1 3.38Å; V63-M261 HydrophobicContact CG1-SD 3.89Å
64L89.3Confident93.7Very high46 Ų4656.4 Ų56.424%0.24128%0.276CS..THydrogen-bonded Turntrans-88.927.5-177.4-62.2-178.2000112.5N62 P66 Q170 M261 L262N62-L64 VanDerWaalsContact C-N 3.31Å; N62-L64 PolarHBondContact O-N 2.79Å; N62-L64 PolarHBondContact OD1-N 3.31Å; N62-L64 VanDerWaalsContact OD1-N 3.09Å; L64-P66 WeakPolarHBondContact O-CD 3.38Å; L64-Q170 PolarHBondContact O-NE2 3.1Å; L64-M261 HydrophobicContact CD2-SD 4.38Å; L64-L262 HydrophobicContact CD2-CD1 3.79Å
65N89.7Confident93.6Very high40 Ų4058.3 Ų58.321%0.21429%0.285CS..  trans-74.6109.8170.9-174.4-9.8000110.1N62 V63 R67 R68 R258N62-N65 HydrophobicContact CB-CB 4.36Å; N62-N65 VanDerWaalsContact O-CB 3.29Å; N62-N65 WeakPolarHBondContact O-CB 3.37Å; N62-N65 PolarHBondContact O-N 2.68Å; V63-N65 PolarHBondContact O-N 2.84Å; N65-R67 PolarHBondContact O-N 2.88Å; N65-R67 WeakPolarHBondContact OD1-CB 3.42Å; N65-R67 PolarHBondContact OD1-N 3.28Å; N65-R68 HydrophobicContact CB-CB 4.45Å; N65-R68 HydrophobicContact CB-CG 4.17Å; N65-R68 PolarHBondContact O-N 2.82Å; N65-R258 PolarHBondContact O-NH1 2.95Å
66P86.8Confident93.5Very high60 Ų6065.2 Ų65.239%0.3931%0.314SS..THydrogen-bonded Turntrans-70.6-17-177.130.6-36.3000112.6L64 R68 V253 F254L64-P66 WeakPolarHBondContact O-CD 3.38Å; P66-R68 VanDerWaalsContact C-N 3.26Å; P66-R68 PolarHBondContact O-N 3.48Å; P66-V253 HydrophobicContact CB-CG1 4.17Å; P66-F254 HydrophobicContact CB-CE1 3.94Å; P66-F254 HydrophobicContact CB-CZ 4.18Å
67R89.6Confident93.3Very high233 Ų23368.5 Ų68.588%0.87933%0.33SS*.THydrogen-bonded Turntrans-77.6-12.7177.9-59.3-178.5178.3161.1-0.6112.9N65N65-R67 PolarHBondContact O-N 2.88Å; N65-R67 WeakPolarHBondContact OD1-CB 3.42Å; N65-R67 PolarHBondContact OD1-N 3.28Å
68R92.6Very high93.2Very high70 Ų7068.5 Ų68.526%0.26433%0.33SS..SBendtrans-101.5123.3179.2-66.7-71.8-57.1-120.18.4109N65 P66 F74 E77 R258N65-R68 HydrophobicContact CB-CB 4.45Å; N65-R68 HydrophobicContact CB-CG 4.17Å; N65-R68 PolarHBondContact O-N 2.82Å; P66-R68 VanDerWaalsContact C-N 3.26Å; P66-R68 PolarHBondContact O-N 3.48Å; R68-F74 HydrophobicContact CB-CD1 3.93Å; R68-F74 HydrophobicContact CB-CD2 4.2Å; R68-F74 HydrophobicContact CB-CE1 3.74Å; R68-F74 HydrophobicContact CB-CE2 3.99Å; R68-F74 HydrophobicContact CB-CG 4.17Å; R68-F74 HydrophobicContact CB-CZ 3.76Å; R68-F74 HydrophobicContact CG-CD2 4.31Å; R68-F74 HydrophobicContact CG-CE2 3.94Å; R68-F74 HydrophobicContact CG-CZ 4.08Å; R68-F74 VanDerWaalsContact CZ-CD2 3.4Å; R68-F74 VanDerWaalsContact NH2-CD2 3.31Å; R68-E77 IonicContact CZ-OE1 3.22Å; R68-E77 IonicContact CZ-OE2 3.71Å; R68-E77 IonicContact NH1-OE1 3.78Å; R68-E77 IonicContact NH1-OE2 3.69Å; R68-E77 PolarHBondContact NH1-OE2 3.3Å; R68-E77 IonicContact NH2-OE1 3.41Å; R68-E77 PolarHBondContact NH2-OE1 2.76Å; R68-E77 IonicContact NH2-OE2 2.79Å; R68-E77 PolarHBondContact NH2-OE2 2.99Å; R68-R258 PolarHBondContact O-NH1 3.26Å; R68-R258 PolarHBondContact O-NH2 3.21Å
69R92.1Very high93.2Very high204 Ų20469.1 Ų69.177%0.7733%0.333SS*.  trans-68.4139.6170.3-175.1173.8175.8174.1-1109.7N71R69-N71 PolarHBondContact O-N 2.96Å; R69-N71 VanDerWaalsContact O-N 3.09Å
70W95Very high93.2Very high34 Ų3471.1 Ų71.113%0.12934%0.344CS..  trans-77.592.1174.5-161.1-111.3000110.1V63 F74 Q75 V78 F131 F132 E257 R258V63-W70 HydrophobicContact CG1-CH2 4.38Å; V63-W70 HydrophobicContact CG1-CZ3 4.3Å; W70-F74 HydrophobicContact CD2-CD1 4.48Å; W70-F74 AromaticContact CE3-CD1 3.38Å; W70-F74 HydrophobicContact CE3-CD1 3.38Å; W70-F74 AromaticContact CE3-CE1 3.53Å; W70-F74 HydrophobicContact CE3-CE1 3.53Å; W70-F74 AromaticContact CZ3-CD1 3.64Å; W70-F74 HydrophobicContact CZ3-CD1 3.64Å; W70-F74 AromaticContact CZ3-CE1 3.53Å; W70-F74 HydrophobicContact CZ3-CE1 3.53Å; W70-F74 HydrophobicContact CZ3-CZ 4.47Å; W70-Q75 HydrophobicContact CD2-CG 4.23Å; W70-Q75 HydrophobicContact CH2-CG 4.18Å; W70-Q75 HydrophobicContact CZ2-CG 3.61Å; W70-Q75 VanDerWaalsContact NE1-NE2 3.19Å; W70-V78 HydrophobicContact CH2-CG2 4.29Å; W70-V78 HydrophobicContact CZ3-CG2 4.09Å; W70-F131 HydrophobicContact CH2-CD1 4.3Å; W70-F131 AromaticContact CH2-CE1 3.83Å; W70-F131 HydrophobicContact CH2-CE1 3.83Å; W70-F131 HydrophobicContact CH2-CZ 4.37Å; W70-F131 AromaticContact CZ2-CD1 3.87Å; W70-F131 HydrophobicContact CZ2-CD1 3.87Å; W70-F131 AromaticContact CZ2-CE1 3.77Å; W70-F131 HydrophobicContact CZ2-CE1 3.77Å; W70-F131 HydrophobicContact CZ2-CG 4.46Å; W70-F131 HydrophobicContact CZ2-CZ 4.26Å; W70-F132 AromaticContact CH2-CE1 3.87Å; W70-F132 HydrophobicContact CH2-CE1 3.87Å; W70-F132 AromaticContact CH2-CZ 3.71Å; W70-F132 HydrophobicContact CH2-CZ 3.71Å; W70-F132 HydrophobicContact CZ2-CE1 4.19Å; W70-F132 AromaticContact CZ2-CZ 3.7Å; W70-F132 HydrophobicContact CZ2-CZ 3.7Å; W70-E257 PolarHBondContact NE1-OE2 2.93Å; W70-R258 HydrophobicContact CD2-CG 3.73Å; W70-R258 HydrophobicContact CE3-CG 3.59Å; W70-R258 HydrophobicContact CG-CG 4.36Å; W70-R258 HydrophobicContact CH2-CG 4.16Å; W70-R258 HydrophobicContact CZ2-CG 4.25Å; W70-R258 HydrophobicContact CZ3-CG 3.83Å
71N93.9Very high93.4Very high72 Ų7270.8 Ų70.839%0.38534%0.336SS..SBendtrans-129.6170.2176.863.414.4000110R69 A73 F74 Q75R69-N71 PolarHBondContact O-N 2.96Å; R69-N71 VanDerWaalsContact O-N 3.09Å; N71-A73 PolarHBondContact O-N 3Å; N71-A73 PolarHBondContact OD1-N 2.72Å; N71-F74 PolarHBondContact O-N 3.32Å; N71-F74 WeakPolarHBondContact OD1-CB 3.29Å; N71-F74 PolarHBondContact OD1-N 3.01Å; N71-Q75 PolarHBondContact O-N 3.29Å
72E95.4Very high93.8Very high162 Ų16270.2 Ų70.276%0.75733%0.332SS*.Hα-helixtrans-55.4-38-178.3-66.2-180-179.600112.9Q75 K76E72-Q75 PolarHBondContact O-N 3.02Å; E72-K76 VanDerWaalsContact O-CB 3.31Å; E72-K76 WeakPolarHBondContact O-CB 3.29Å; E72-K76 PolarHBondContact O-N 2.79Å
73A96.3Very high94.2Very high56 Ų5667.6 Ų67.646%0.46332%0.319SS..Hα-helixtrans-61.5-46.417700000111.7N71 K76 E77N71-A73 PolarHBondContact O-N 3Å; N71-A73 PolarHBondContact OD1-N 2.72Å; A73-K76 PolarHBondContact O-N 2.95Å; A73-E77 WeakPolarHBondContact O-CG 3.17Å; A73-E77 PolarHBondContact O-N 3.14Å
74F96.1Very high94.5Very high0 Ų071.6 Ų71.60%034%0.34CS..Hα-helixtrans-72.1-36.9178-175.4-132.3000112.7E61 N62 R68 W70 N71 K76 E77 V78E61-F74 HydrophobicContact CG-CE2 3.77Å; N62-F74 WeakPolarHBondContact O-CZ 3.32Å; R68-F74 HydrophobicContact CB-CD1 3.93Å; R68-F74 HydrophobicContact CB-CD2 4.2Å; R68-F74 HydrophobicContact CB-CE1 3.74Å; R68-F74 HydrophobicContact CB-CE2 3.99Å; R68-F74 HydrophobicContact CB-CG 4.17Å; R68-F74 HydrophobicContact CB-CZ 3.76Å; R68-F74 HydrophobicContact CG-CD2 4.31Å; R68-F74 HydrophobicContact CG-CE2 3.94Å; R68-F74 HydrophobicContact CG-CZ 4.08Å; R68-F74 VanDerWaalsContact CZ-CD2 3.4Å; R68-F74 VanDerWaalsContact NH2-CD2 3.31Å; W70-F74 HydrophobicContact CD2-CD1 4.48Å; W70-F74 AromaticContact CE3-CD1 3.38Å; W70-F74 HydrophobicContact CE3-CD1 3.38Å; W70-F74 AromaticContact CE3-CE1 3.53Å; W70-F74 HydrophobicContact CE3-CE1 3.53Å; W70-F74 AromaticContact CZ3-CD1 3.64Å; W70-F74 HydrophobicContact CZ3-CD1 3.64Å; W70-F74 AromaticContact CZ3-CE1 3.53Å; W70-F74 HydrophobicContact CZ3-CE1 3.53Å; W70-F74 HydrophobicContact CZ3-CZ 4.47Å; N71-F74 PolarHBondContact O-N 3.32Å; N71-F74 WeakPolarHBondContact OD1-CB 3.29Å; N71-F74 PolarHBondContact OD1-N 3.01Å; F74-K76 VanDerWaalsContact C-N 3.3Å; F74-K76 PolarHBondContact O-N 3.12Å; F74-E77 PolarHBondContact O-N 3.35Å; F74-V78 HydrophobicContact CD2-CG2 4.31Å; F74-V78 HydrophobicContact CE1-CG2 4.36Å; F74-V78 HydrophobicContact CE2-CG2 3.99Å; F74-V78 HydrophobicContact CZ-CG2 4.01Å; F74-V78 WeakPolarHBondContact O-CG2 3.37Å; F74-V78 PolarHBondContact O-N 2.99Å
75Q96Very high94.9Very high40 Ų4070.2 Ų70.219%0.18733%0.333CS..Hα-helixtrans-58-44.3170.9-76.8174.5-15.300111.1W70 N71 E72 V78 L79 F131 E257W70-Q75 HydrophobicContact CD2-CG 4.23Å; W70-Q75 HydrophobicContact CH2-CG 4.18Å; W70-Q75 HydrophobicContact CZ2-CG 3.61Å; W70-Q75 VanDerWaalsContact NE1-NE2 3.19Å; N71-Q75 PolarHBondContact O-N 3.29Å; E72-Q75 PolarHBondContact O-N 3.02Å; Q75-V78 PolarHBondContact O-N 3.39Å; Q75-L79 PolarHBondContact O-N 3.08Å; Q75-F131 HydrophobicContact CB-CE2 3.88Å; Q75-F131 HydrophobicContact CB-CZ 3.97Å; Q75-F131 HydrophobicContact CG-CE2 4Å; Q75-F131 HydrophobicContact CG-CZ 4.14Å; Q75-E257 PolarHBondContact NE2-OE2 2.79Å
76K96.6Very high95.4Very high144 Ų14468.3 Ų68.363%0.62632%0.323SS*.Hα-helixtrans-61.4-45.7175.4-174.9177-178.9178.20111.5E72 A73 F74 V78 L79 T80E72-K76 VanDerWaalsContact O-CB 3.31Å; E72-K76 WeakPolarHBondContact O-CB 3.29Å; E72-K76 PolarHBondContact O-N 2.79Å; A73-K76 PolarHBondContact O-N 2.95Å; F74-K76 VanDerWaalsContact C-N 3.3Å; F74-K76 PolarHBondContact O-N 3.12Å; K76-V78 VanDerWaalsContact C-N 3.34Å; K76-V78 PolarHBondContact O-N 2.62Å; K76-L79 WeakPolarHBondContact O-CB 3.3Å; K76-L79 PolarHBondContact O-N 3.19Å; K76-T80 HydrophobicContact CG-CG2 4.1Å; K76-T80 WeakPolarHBondContact O-CG2 3.46Å; K76-T80 PolarHBondContact O-N 2.94Å; K76-T80 PolarHBondContact O-OG1 3.28Å
77E96.4Very high95.9Very high70 Ų7070.3 Ų70.333%0.32733%0.327SS..Hα-helixtrans-61.1-40.8175.6-75174.4-13700112.8R68 A73 F74 L79 S81R68-E77 IonicContact CZ-OE1 3.22Å; R68-E77 IonicContact CZ-OE2 3.71Å; R68-E77 IonicContact NH1-OE1 3.78Å; R68-E77 IonicContact NH1-OE2 3.69Å; R68-E77 PolarHBondContact NH1-OE2 3.3Å; R68-E77 IonicContact NH2-OE1 3.41Å; R68-E77 PolarHBondContact NH2-OE1 2.76Å; R68-E77 IonicContact NH2-OE2 2.79Å; R68-E77 PolarHBondContact NH2-OE2 2.99Å; A73-E77 WeakPolarHBondContact O-CG 3.17Å; A73-E77 PolarHBondContact O-N 3.14Å; F74-E77 PolarHBondContact O-N 3.35Å; E77-L79 VanDerWaalsContact C-N 3.29Å; E77-L79 PolarHBondContact O-N 2.98Å; E77-S81 WeakPolarHBondContact O-CB 3.27Å; E77-S81 PolarHBondContact O-N 3.46Å; E77-S81 PolarHBondContact O-OG 3.46Å
78V96.4Very high96.3Very high0 Ų061 Ų610%029%0.294CS..Hα-helixtrans-59.1-42.9175.4163.60000110.8V63 W70 F74 Q75 K76 S81 R82 F131 L135V63-V78 HydrophobicContact CG2-CB 4.48Å; V63-V78 HydrophobicContact CG2-CG1 3.64Å; V63-V78 HydrophobicContact CG2-CG2 3.94Å; W70-V78 HydrophobicContact CH2-CG2 4.29Å; W70-V78 HydrophobicContact CZ3-CG2 4.09Å; F74-V78 HydrophobicContact CD2-CG2 4.31Å; F74-V78 HydrophobicContact CE1-CG2 4.36Å; F74-V78 HydrophobicContact CE2-CG2 3.99Å; F74-V78 HydrophobicContact CZ-CG2 4.01Å; F74-V78 WeakPolarHBondContact O-CG2 3.37Å; F74-V78 PolarHBondContact O-N 2.99Å; Q75-V78 PolarHBondContact O-N 3.39Å; K76-V78 VanDerWaalsContact C-N 3.34Å; K76-V78 PolarHBondContact O-N 2.62Å; V78-S81 PolarHBondContact O-OG 3.08Å; V78-R82 VanDerWaalsContact O-CD 3.3Å; V78-R82 WeakPolarHBondContact O-CD 3.46Å; V78-R82 WeakPolarHBondContact O-CG 3.49Å; V78-R82 PolarHBondContact O-NH1 2.87Å; V78-F131 HydrophobicContact CG1-CE1 4.1Å; V78-F131 HydrophobicContact CG1-CZ 4.38Å; V78-L135 HydrophobicContact CG1-CD2 3.92Å
79L97Very high96.6Very high41 Ų4157.7 Ų57.722%0.21528%0.282CS..Hα-helixtrans-67.7-58.5175.9-77.4159.3000111.8Q75 K76 E77 S81 R82 L83 F131 L135Q75-L79 PolarHBondContact O-N 3.08Å; K76-L79 WeakPolarHBondContact O-CB 3.3Å; K76-L79 PolarHBondContact O-N 3.19Å; E77-L79 VanDerWaalsContact C-N 3.29Å; E77-L79 PolarHBondContact O-N 2.98Å; L79-S81 PolarHBondContact O-N 2.7Å; L79-R82 WeakPolarHBondContact O-CB 3.41Å; L79-R82 PolarHBondContact O-N 3.36Å; L79-R82 VanDerWaalsContact O-N 3.09Å; L79-L83 HydrophobicContact CD2-CD1 4.21Å; L79-L83 WeakPolarHBondContact O-CG 3.46Å; L79-L83 PolarHBondContact O-N 3.12Å; L79-F131 HydrophobicContact CD1-CE2 3.83Å; L79-F131 HydrophobicContact CD1-CZ 3.98Å; L79-F131 HydrophobicContact CG-CE2 4.28Å; L79-F131 HydrophobicContact CG-CZ 3.95Å; L79-L135 HydrophobicContact CD2-CB 4.37Å; L79-L135 HydrophobicContact CD2-CD1 3.54Å; L79-L135 HydrophobicContact CG-CD1 4.31Å
80T96.2Very high96.9Very high50 Ų5048.3 Ų48.331%0.30725%0.248SC..Hα-helixtrans-65.2-38-171.956.30000112.5K76 R82 D84K76-T80 HydrophobicContact CG-CG2 4.1Å; K76-T80 WeakPolarHBondContact O-CG2 3.46Å; K76-T80 PolarHBondContact O-N 2.94Å; K76-T80 PolarHBondContact O-OG1 3.28Å; T80-R82 PolarHBondContact O-N 3.12Å; T80-D84 WeakPolarHBondContact CB-OD2 3.34Å; T80-D84 VanDerWaalsContact O-CB 3.22Å; T80-D84 WeakPolarHBondContact O-CB 3.15Å; T80-D84 PolarHBondContact O-N 3.45Å
81S96.1Very high97Very high30 Ų3052.8 Ų52.821%0.2127%0.268CS..Hα-helixtrans-58.3-23.2176.360.80000113.7E61 E77 V78 L79 T85E61-S81 WeakPolarHBondContact CB-OG 3.29Å; E61-S81 PolarHBondContact N-OG 3.25Å; E77-S81 WeakPolarHBondContact O-CB 3.27Å; E77-S81 PolarHBondContact O-N 3.46Å; E77-S81 PolarHBondContact O-OG 3.46Å; V78-S81 PolarHBondContact O-OG 3.08Å; L79-S81 PolarHBondContact O-N 2.7Å; S81-T85 VanDerWaalsContact O-CG2 3.3Å; S81-T85 WeakPolarHBondContact O-CG2 3.2Å; S81-T85 PolarHBondContact O-OG1 2.8Å
82R97.8Very high97.2Very high27 Ų2749.9 Ų49.910%0.10225%0.254CS..Hα-helixtrans-99.8-52.4-179.6-69.9173.3167.271.16.2111.8E61 V78 L79 T80 T85 T86 W139E61-R82 VanDerWaalsContact O-CZ 3.31Å; E61-R82 PolarHBondContact O-NH1 3.33Å; E61-R82 PolarHBondContact O-NH2 2.72Å; V78-R82 VanDerWaalsContact O-CD 3.3Å; V78-R82 WeakPolarHBondContact O-CD 3.46Å; V78-R82 WeakPolarHBondContact O-CG 3.49Å; V78-R82 PolarHBondContact O-NH1 2.87Å; L79-R82 WeakPolarHBondContact O-CB 3.41Å; L79-R82 PolarHBondContact O-N 3.36Å; L79-R82 VanDerWaalsContact O-N 3.09Å; T80-R82 PolarHBondContact O-N 3.12Å; R82-T85 PolarHBondContact O-OG1 3.48Å; R82-T85 VanDerWaalsContact O-OG1 3.13Å; R82-T86 WeakPolarHBondContact O-CB 3.4Å; R82-T86 PolarHBondContact O-N 2.85Å; R82-T86 VanDerWaalsContact O-N 3.11Å; R82-T86 PolarHBondContact O-OG1 2.84Å; R82-W139 HydrophobicContact CB-CD2 3.79Å; R82-W139 HydrophobicContact CB-CE3 4.28Å; R82-W139 HydrophobicContact CB-CG 4.22Å; R82-W139 HydrophobicContact CB-CH2 4.31Å; R82-W139 HydrophobicContact CB-CZ2 3.81Å; R82-W139 VanDerWaalsContact CD-CH2 3.45Å; R82-W139 HydrophobicContact CG-CD2 4.09Å; R82-W139 HydrophobicContact CG-CE3 4.14Å; R82-W139 HydrophobicContact CG-CH2 3.58Å; R82-W139 HydrophobicContact CG-CZ2 3.48Å; R82-W139 VanDerWaalsContact CG-CZ2 3.48Å; R82-W139 HydrophobicContact CG-CZ3 3.92Å; R82-W139 PolarHBondContact O-NE1 2.88Å
83L98.2Very high97.4Very high29 Ų2942.3 Ų42.315%0.15222%0.219CC..Hα-helixtrans-67.8-47.2-175.9-60-174.6000111.3L79 T85 T86 H87 K138 W139 A142L79-L83 HydrophobicContact CD2-CD1 4.21Å; L79-L83 WeakPolarHBondContact O-CG 3.46Å; L79-L83 PolarHBondContact O-N 3.12Å; L83-T85 PolarHBondContact O-N 3.15Å; L83-T86 PolarHBondContact O-N 3.37Å; L83-H87 VanDerWaalsContact O-CB 3.32Å; L83-H87 WeakPolarHBondContact O-CB 3.39Å; L83-H87 PolarHBondContact O-CD2 3.12Å; L83-H87 PolarHBondContact O-N 3.4Å; L83-K138 HydrophobicContact CD1-CB 4.28Å; L83-K138 HydrophobicContact CD2-CB 3.97Å; L83-K138 WeakPolarHBondContact CD2-O 3.4Å; L83-W139 HydrophobicContact CD2-CB 4.03Å; L83-W139 HydrophobicContact CD2-CG 4.46Å; L83-A142 HydrophobicContact CD2-CB 4.19Å
84D97.8Very high97.4Very high96 Ų9643.2 Ų43.251%0.51322%0.219SC..Hα-helixtrans-67.7-42.6-174.3-60.3-10000111.2T80 T86 L88T80-D84 WeakPolarHBondContact CB-OD2 3.34Å; T80-D84 VanDerWaalsContact O-CB 3.22Å; T80-D84 WeakPolarHBondContact O-CB 3.15Å; T80-D84 PolarHBondContact O-N 3.45Å; D84-T86 VanDerWaalsContact C-N 3.34Å; D84-L88 WeakPolarHBondContact O-CB 3.27Å; D84-L88 PolarHBondContact O-N 3.36Å
85T97.9Very high97.4Very high17 Ų1750.5 Ų50.510%0.10425%0.25CS..Hα-helixtrans-66.2-38.9178.157.10000111.7W41 A59 S81 R82 L83 L89W41-T85 HydrophobicContact CD2-CG2 3.89Å; W41-T85 HydrophobicContact CE3-CG2 4.02Å; W41-T85 HydrophobicContact CH2-CG2 3.79Å; W41-T85 HydrophobicContact CZ2-CG2 3.65Å; W41-T85 HydrophobicContact CZ3-CG2 3.96Å; A59-T85 HydrophobicContact CB-CG2 4.18Å; S81-T85 VanDerWaalsContact O-CG2 3.3Å; S81-T85 WeakPolarHBondContact O-CG2 3.2Å; S81-T85 PolarHBondContact O-OG1 2.8Å; R82-T85 PolarHBondContact O-OG1 3.48Å; R82-T85 VanDerWaalsContact O-OG1 3.13Å; L83-T85 PolarHBondContact O-N 3.15Å; T85-L89 WeakPolarHBondContact O-CG 3.33Å; T85-L89 PolarHBondContact O-N 3.15Å; T85-L89 VanDerWaalsContact O-N 3.11Å
86T98.6Very high97.4Very high0 Ų049.9 Ų49.90%025%0.252CS..Hα-helixtrans-70-47.5178.3-58.30000111.4N57 R82 L83 D84 L88 L89 A90 W103 L105 W139 A142 A143N57-T86 PolarHBondContact ND2-OG1 3.49Å; R82-T86 WeakPolarHBondContact O-CB 3.4Å; R82-T86 PolarHBondContact O-N 2.85Å; R82-T86 VanDerWaalsContact O-N 3.11Å; R82-T86 PolarHBondContact O-OG1 2.84Å; L83-T86 PolarHBondContact O-N 3.37Å; D84-T86 VanDerWaalsContact C-N 3.34Å; T86-L88 VanDerWaalsContact C-N 3.29Å; T86-L88 PolarHBondContact O-N 3.01Å; T86-L89 PolarHBondContact O-N 3.09Å; T86-A90 WeakPolarHBondContact O-CB 3.25Å; T86-A90 PolarHBondContact O-N 2.77Å; T86-W103 HydrophobicContact CG2-CZ2 4Å; T86-L105 HydrophobicContact CG2-CD1 4.13Å; T86-W139 PolarHBondContact OG1-NE1 3.29Å; T86-A142 HydrophobicContact CG2-CB 4.04Å; T86-A143 HydrophobicContact CG2-CB 3.51Å
87H98.1Very high97.3Very high101 Ų10151.7 Ų51.747%0.46826%0.263SS..Hα-helixtrans-59.3-41.2175-83.1-54.3000112.1L83 A90 K91 A142L83-H87 VanDerWaalsContact O-CB 3.32Å; L83-H87 WeakPolarHBondContact O-CB 3.39Å; L83-H87 PolarHBondContact O-CD2 3.12Å; L83-H87 PolarHBondContact O-N 3.4Å; H87-A90 PolarHBondContact O-N 2.96Å; H87-K91 VanDerWaalsContact O-CB 3.22Å; H87-K91 WeakPolarHBondContact O-CB 3.17Å; H87-K91 PolarHBondContact O-N 3.3Å; H87-A142 WeakPolarHBondContact CE1-CA 3.32Å; H87-A142 WeakPolarHBondContact CE1-CB 3.44Å; H87-A142 PolarHBondContact ND1-O 3.05Å; H87-A142 WeakPolarHBondContact NE2-CB 3.19Å
88L98.3Very high97.2Very high39 Ų3954.9 Ų54.920%0.20428%0.277CS..Hα-helixtrans-60.9-47.6177.317558.1000111.3W41 L44 D84 T86 K91 A92W41-L88 HydrophobicContact CB-CD2 4.34Å; W41-L88 HydrophobicContact CE3-CD2 3.96Å; W41-L88 WeakPolarHBondContact O-CD2 3.33Å; L44-L88 HydrophobicContact CD2-CD2 3.99Å; L44-L88 HydrophobicContact CD2-CG 3.89Å; L44-L88 HydrophobicContact CG-CG 4.46Å; D84-L88 WeakPolarHBondContact O-CB 3.27Å; D84-L88 PolarHBondContact O-N 3.36Å; T86-L88 VanDerWaalsContact C-N 3.29Å; T86-L88 PolarHBondContact O-N 3.01Å; L88-K91 PolarHBondContact O-N 3.42Å; L88-A92 VanDerWaalsContact O-CB 3.3Å; L88-A92 WeakPolarHBondContact O-CB 3.32Å; L88-A92 PolarHBondContact O-N 3.48Å
89L98.5Very high97.2Very high0 Ų057.3 Ų57.30%029%0.293CS..Hα-helixtrans-64.9-46177-74.3165.3000111.8L4 W41 L44 L49 V55 N57 T85 T86 K91 A92 I93 W103L4-L89 HydrophobicContact CD2-CD2 4.15Å; W41-L89 HydrophobicContact CH2-CD1 4Å; W41-L89 HydrophobicContact CZ3-CD1 3.81Å; W41-L89 HydrophobicContact CZ3-CG 3.98Å; L44-L89 HydrophobicContact CD2-CD2 3.52Å; L44-L89 HydrophobicContact CD2-CG 4.09Å; L49-L89 HydrophobicContact CD1-CD2 4.4Å; V55-L89 HydrophobicContact CG1-CD1 4.41Å; V55-L89 HydrophobicContact CG1-CD2 3.85Å; N57-L89 HydrophobicContact CB-CD1 3.73Å; T85-L89 WeakPolarHBondContact O-CG 3.33Å; T85-L89 PolarHBondContact O-N 3.15Å; T85-L89 VanDerWaalsContact O-N 3.11Å; T86-L89 PolarHBondContact O-N 3.09Å; L89-K91 VanDerWaalsContact C-N 3.31Å; L89-K91 PolarHBondContact O-N 3.12Å; L89-A92 PolarHBondContact O-N 3.21Å; L89-A92 VanDerWaalsContact O-N 3.13Å; L89-I93 VanDerWaalsContact O-CG1 3.24Å; L89-I93 WeakPolarHBondContact O-CG1 3.32Å; L89-I93 PolarHBondContact O-N 2.95Å; L89-W103 HydrophobicContact CB-CH2 3.82Å; L89-W103 HydrophobicContact CB-CZ3 4.12Å; L89-W103 HydrophobicContact CD1-CH2 3.97Å; L89-W103 HydrophobicContact CD1-CZ3 4.06Å
90A98.4Very high97.3Very high7 Ų755.4 Ų55.46%0.05828%0.283CS..Hα-helixtrans-58.7-43.3178.500000111.9T86 H87 I93 T94 A142 L145T86-A90 WeakPolarHBondContact O-CB 3.25Å; T86-A90 PolarHBondContact O-N 2.77Å; H87-A90 PolarHBondContact O-N 2.96Å; A90-I93 PolarHBondContact O-N 2.98Å; A90-T94 WeakPolarHBondContact O-CB 3.17Å; A90-T94 PolarHBondContact O-N 2.9Å; A90-T94 PolarHBondContact O-OG1 2.94Å; A90-A142 WeakPolarHBondContact CB-O 3.47Å; A90-L145 HydrophobicContact CB-CD2 3.78Å; A90-L145 VanDerWaalsContact O-CD2 3.3Å; A90-L145 WeakPolarHBondContact O-CD2 3.3Å
91K97.8Very high97.3Very high128 Ų12857.7 Ų57.756%0.55729%0.286SS*.Hα-helixtrans-66.3-39.6175.2-174.9177.1179.8179.30112.3H87 L88 L89 T94 K95H87-K91 VanDerWaalsContact O-CB 3.22Å; H87-K91 WeakPolarHBondContact O-CB 3.17Å; H87-K91 PolarHBondContact O-N 3.3Å; L88-K91 PolarHBondContact O-N 3.42Å; L89-K91 VanDerWaalsContact C-N 3.31Å; L89-K91 PolarHBondContact O-N 3.12Å; K91-T94 PolarHBondContact O-N 3.33Å; K91-K95 HydrophobicContact CG-CD 4.35Å; K91-K95 WeakPolarHBondContact O-CG 3.3Å; K91-K95 PolarHBondContact O-N 2.8Å
92A97.9Very high97.4Very high11 Ų1156.3 Ų56.39%0.09128%0.276CS..Hα-helixtrans-66.1-40.2177.600000111.6L49 L88 L89 K95 A96L49-A92 HydrophobicContact CB-CB 4.09Å; L49-A92 HydrophobicContact CD1-CB 4.2Å; L88-A92 VanDerWaalsContact O-CB 3.3Å; L88-A92 WeakPolarHBondContact O-CB 3.32Å; L88-A92 PolarHBondContact O-N 3.48Å; L89-A92 PolarHBondContact O-N 3.21Å; L89-A92 VanDerWaalsContact O-N 3.13Å; A92-K95 PolarHBondContact O-N 2.99Å; A92-A96 PolarHBondContact O-N 3.48Å
93I98.3Very high97.5Very high3 Ų355.1 Ų55.12%0.01527%0.272CS..Hα-helixtrans-62-49.2174-68.6164.9000110.8L49 V55 L89 A90 K95 A96 P100 W103 L145 T150L49-I93 HydrophobicContact CD2-CG1 3.97Å; V55-I93 HydrophobicContact CB-CD1 4.1Å; V55-I93 HydrophobicContact CG1-CD1 4.31Å; V55-I93 HydrophobicContact CG2-CD1 4.18Å; V55-I93 HydrophobicContact CG2-CG1 4.24Å; L89-I93 VanDerWaalsContact O-CG1 3.24Å; L89-I93 WeakPolarHBondContact O-CG1 3.32Å; L89-I93 PolarHBondContact O-N 2.95Å; A90-I93 PolarHBondContact O-N 2.98Å; I93-K95 PolarHBondContact O-N 3.09Å; I93-A96 WeakPolarHBondContact O-CB 3.29Å; I93-A96 PolarHBondContact O-N 3.19Å; I93-P100 HydrophobicContact CD1-CG 4.38Å; I93-P100 HydrophobicContact CG1-CG 3.91Å; I93-P100 HydrophobicContact CG2-CG 4Å; I93-W103 HydrophobicContact CD1-CB 4.09Å; I93-W103 HydrophobicContact CD1-CD2 3.74Å; I93-W103 HydrophobicContact CD1-CE3 3.76Å; I93-W103 HydrophobicContact CD1-CG 3.91Å; I93-W103 HydrophobicContact CD1-CZ3 4.42Å; I93-L145 HydrophobicContact CB-CD1 4.44Å; I93-L145 HydrophobicContact CB-CD2 4.11Å; I93-L145 HydrophobicContact CG2-CD1 3.56Å; I93-L145 HydrophobicContact CG2-CD2 4Å; I93-L145 HydrophobicContact CG2-CG 4.45Å; I93-T150 HydrophobicContact CG2-CG2 4.27Å
94T97.3Very high97.5Very high74 Ų7453.8 Ų53.845%0.45427%0.265SS..Hα-helixtrans-60.8-29.4-178.5-55.50000112.7A90 K91 P146A90-T94 WeakPolarHBondContact O-CB 3.17Å; A90-T94 PolarHBondContact O-N 2.9Å; A90-T94 PolarHBondContact O-OG1 2.94Å; K91-T94 PolarHBondContact O-N 3.33Å; T94-P146 HydrophobicContact CG2-CG 3.8Å
95K96.1Very high97.6Very high153 Ų15349.2 Ų49.267%0.66524%0.24SC*.THydrogen-bonded Turntrans-96.3-4.2-178.2-69-175.4174.7-1570114.2K91 A92 I93K91-K95 HydrophobicContact CG-CD 4.35Å; K91-K95 WeakPolarHBondContact O-CG 3.3Å; K91-K95 PolarHBondContact O-N 2.8Å; A92-K95 PolarHBondContact O-N 2.99Å; I93-K95 PolarHBondContact O-N 3.09Å
96A96.1Very high97.6Very high27 Ų2748.9 Ų48.922%0.22324%0.238CC..  trans-70.9132.8-177.300000110.5L49 A92 I93 H98 P99L49-A96 HydrophobicContact CD2-CB 4.33Å; A92-A96 PolarHBondContact O-N 3.48Å; I93-A96 WeakPolarHBondContact O-CB 3.29Å; I93-A96 PolarHBondContact O-N 3.19Å; A96-H98 PolarHBondContact O-N 3.45Å; A96-P99 HydrophobicContact CB-CB 4.45Å
97E93.4Very high97.6Very high183 Ų18349.5 Ų49.586%0.85524%0.242SC*.SBendtrans-62-36.3172.6-64.7-179.7172.500111.4P99E97-P99 WeakPolarHBondContact O-CD 3.3Å
98H94.6Very high97.6Very high137 Ų13745.4 Ų45.463%0.63423%0.227SC*.SBendtrans-11983.2173-61-57000108.9A96A96-H98 PolarHBondContact O-N 3.45Å
99P97.1Very high97.6Very high50 Ų5044.1 Ų44.133%0.32522%0.221SC..  trans-65.4148.1-177.928.2-34.5000110.7A96 E97A96-P99 HydrophobicContact CB-CB 4.45Å; E97-P99 WeakPolarHBondContact O-CD 3.3Å
100P97.9Very high97.5Very high1 Ų145 Ų451%0.00623%0.228CC..  trans-61.1151.4173.529-37.5000110.2L49 D53 V55 I93 A102 T150L49-P100 HydrophobicContact CD2-CG 4.1Å; D53-P100 CarbonylContact O-C 3.57Å; D53-P100 WeakPolarHBondContact O-CA 3.43Å; D53-P100 VanDerWaalsContact O-CB 3.28Å; D53-P100 WeakPolarHBondContact O-CB 3.34Å; V55-P100 HydrophobicContact CG2-CB 4.11Å; V55-P100 HydrophobicContact CG2-CG 3.81Å; I93-P100 HydrophobicContact CD1-CG 4.38Å; I93-P100 HydrophobicContact CG1-CG 3.91Å; I93-P100 HydrophobicContact CG2-CG 4Å; P100-A102 VanDerWaalsContact C-N 3.3Å; P100-A102 PolarHBondContact O-N 3Å; P100-T150 HydrophobicContact CG-CG2 4.31Å; P100-T150 WeakPolarHBondContact O-CB 3.25Å; P100-T150 VanDerWaalsContact O-CG2 3.27Å; P100-T150 WeakPolarHBondContact O-CG2 3.24Å; P100-T150 PolarHBondContact O-OG1 2.85Å
101R97.8Very high97.5Very high99 Ų9946.5 Ų46.537%0.37423%0.232SC..SBendtrans-73.4-24.3177.878.8-166.5-170.8149.419.5112.5M1 D53 V54 R151 L206M1-R101 PolarHBondContact SD-NH2 3.46Å; D53-R101 WeakPolarHBondContact O-CG 3.41Å; D53-R101 PolarHBondContact O-N 3.42Å; V54-R101 HydrophobicContact CG2-CG 4.02Å; R101-R151 WeakPolarHBondContact O-CB 3.48Å; R101-R151 PolarHBondContact O-N 3.2Å; R101-L206 PolarHBondContact NH2-O 3.38Å
102A98.3Very high97.6Very high0 Ų040.4 Ų40.40%021%0.206CC..EExtended strand (participates in β ladder)trans-141146.2179.100000113V54 V55 P100 R151V54-A102 WeakPolarHBondContact CA-O 3.41Å; V54-A102 HydrophobicContact CB-CB 4.47Å; V54-A102 HydrophobicContact CG1-CB 3.94Å; V54-A102 HydrophobicContact CG2-CB 3.88Å; V55-A102 PolarHBondContact N-O 3.06Å; P100-A102 VanDerWaalsContact C-N 3.3Å; P100-A102 PolarHBondContact O-N 3Å; A102-R151 CarbonylContact C-O 3.58Å; A102-R151 WeakPolarHBondContact CA-O 3.44Å
103W98.7Very high97.6Very high3 Ų345.9 Ų45.91%0.01123%0.227CC..EExtended strand (participates in β ladder)trans-131120.2176.1164.6-129.1000108.9V55 N57 T86 L89 I93 A143 L145 T150 R151 V153V55-W103 HydrophobicContact CB-CE3 3.8Å; V55-W103 HydrophobicContact CB-CZ3 4.21Å; V55-W103 HydrophobicContact CG1-CE3 3.67Å; V55-W103 HydrophobicContact CG1-CZ3 3.54Å; V55-W103 WeakPolarHBondContact O-CA 3.47Å; N57-W103 HydrophobicContact CB-CH2 3.48Å; N57-W103 VanDerWaalsContact CB-CH2 3.48Å; N57-W103 HydrophobicContact CB-CZ3 3.75Å; T86-W103 HydrophobicContact CG2-CZ2 4Å; L89-W103 HydrophobicContact CB-CH2 3.82Å; L89-W103 HydrophobicContact CB-CZ3 4.12Å; L89-W103 HydrophobicContact CD1-CH2 3.97Å; L89-W103 HydrophobicContact CD1-CZ3 4.06Å; I93-W103 HydrophobicContact CD1-CB 4.09Å; I93-W103 HydrophobicContact CD1-CD2 3.74Å; I93-W103 HydrophobicContact CD1-CE3 3.76Å; I93-W103 HydrophobicContact CD1-CG 3.91Å; I93-W103 HydrophobicContact CD1-CZ3 4.42Å; W103-A143 HydrophobicContact CZ2-CB 3.82Å; W103-A143 PolarHBondContact NE1-O 3.34Å; W103-L145 HydrophobicContact CB-CD1 4.08Å; W103-L145 HydrophobicContact CG-CD1 4.14Å; W103-T150 HydrophobicContact CB-CG2 3.65Å; W103-R151 PolarHBondContact N-O 2.88Å; W103-V153 PolarHBondContact O-N 2.95Å
104I98.8Very high97.5Very high0 Ų046.8 Ų46.80%023%0.233CC..EExtended strand (participates in β ladder)trans-124122.4-173.1-48.6176.2000109.8V54 V55 I56 N57 V153 V155 L202 A205 L206V54-I104 HydrophobicContact CG1-CD1 4.29Å; V55-I104 PolarHBondContact O-N 3.46Å; I56-I104 CarbonylContact C-O 3.58Å; I56-I104 VanDerWaalsContact CA-O 3.25Å; I56-I104 WeakPolarHBondContact CA-O 3.4Å; I56-I104 HydrophobicContact CD1-CD1 4.31Å; I56-I104 HydrophobicContact CG1-CB 4.14Å; I56-I104 HydrophobicContact CG1-CD1 4.25Å; I56-I104 HydrophobicContact CG1-CG1 4.48Å; I56-I104 HydrophobicContact CG2-CB 4.4Å; N57-I104 PolarHBondContact N-O 2.81Å; I104-V153 VanDerWaalsContact CA-O 3.3Å; I104-V153 WeakPolarHBondContact CA-O 3.3Å; I104-V153 HydrophobicContact CG1-CB 4.24Å; I104-V153 HydrophobicContact CG2-CB 4.26Å; I104-V153 HydrophobicContact CG2-CG1 4.43Å; I104-V155 HydrophobicContact CG2-CG2 4.33Å; I104-L202 HydrophobicContact CG2-CD2 3.69Å; I104-A205 HydrophobicContact CD1-CB 3.9Å; I104-L206 HydrophobicContact CD1-CB 3.9Å
105L98.9Very high97.4Very high1 Ų144.2 Ų44.21%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-106.6140173.5-177.469000110.4N57 T86 T107 W139 E140 A143 V153 V154 V155N57-L105 HydrophobicContact CB-CD1 4.06Å; T86-L105 HydrophobicContact CG2-CD1 4.13Å; L105-T107 HydrophobicContact CD2-CG2 3.37Å; L105-T107 HydrophobicContact CG-CG2 3.8Å; L105-W139 HydrophobicContact CD2-CG 4.29Å; L105-E140 HydrophobicContact CD2-CG 4.48Å; L105-A143 HydrophobicContact CB-CB 4.32Å; L105-A143 HydrophobicContact CD2-CB 3.7Å; L105-A143 HydrophobicContact CG-CB 4.44Å; L105-V153 PolarHBondContact N-O 2.87Å; L105-V154 HydrophobicContact CB-CG2 4.4Å; L105-V154 CarbonylContact O-C 3.54Å; L105-V154 WeakPolarHBondContact O-CA 3.21Å; L105-V155 PolarHBondContact O-N 2.61Å
106V98.8Very high97.3Very high10 Ų1042.2 Ų42.26%0.06122%0.221CC..EExtended strand (participates in β ladder)trans-105.3121.7165.6-179.80000109.9N57 L58 W139 V155 L202N57-V106 PolarHBondContact O-N 2.93Å; L58-V106 HydrophobicContact CD2-CB 3.7Å; L58-V106 HydrophobicContact CD2-CG2 3.28Å; V106-W139 WeakPolarHBondContact O-CH2 3.38Å; V106-V155 WeakPolarHBondContact CA-O 3.1Å; V106-V155 HydrophobicContact CG2-CB 4.39Å; V106-L202 HydrophobicContact CG2-CD1 4.06Å; V106-L202 HydrophobicContact CG2-CD2 3.58Å; V106-L202 HydrophobicContact CG2-CG 4.42Å
107T98.6Very high97.3Very high13 Ų1346.1 Ų46.18%0.0824%0.242CC..EExtended strand (participates in β ladder)trans-115.6-132.9174.360.90000109.7L105 V136 W139 E140 V154 V155 R156L105-T107 HydrophobicContact CD2-CG2 3.37Å; L105-T107 HydrophobicContact CG-CG2 3.8Å; T107-V136 HydrophobicContact CG2-CG1 4.44Å; T107-W139 HydrophobicContact CG2-CB 4.42Å; T107-W139 HydrophobicContact CG2-CD2 3.93Å; T107-W139 HydrophobicContact CG2-CE3 3.96Å; T107-W139 HydrophobicContact CG2-CG 4.13Å; T107-E140 HydrophobicContact CG2-CG 3.83Å; T107-E140 PolarHBondContact OG1-OE1 2.8Å; T107-V154 HydrophobicContact CG2-CG1 4.21Å; T107-V155 PolarHBondContact N-O 3.11Å; T107-R156 WeakPolarHBondContact OG1-CG 3.48Å
108G97.4Very high97.4Very high14 Ų1442.3 Ų42.314%0.14423%0.225CC..EExtended strand (participates in β ladder)trans-158.2155.9-177.800000113.8A110 Y111 S157G108-A110 PolarHBondContact O-N 2.82Å; G108-A110 VanDerWaalsContact O-N 3.09Å; G108-Y111 PolarHBondContact O-N 3.36Å; G108-S157 WeakPolarHBondContact CA-O 3.4Å
109V98Very high97.6Very high12 Ų1240 Ų407%0.07321%0.214CC..G310 helixtrans-64.7-6.8175.2-65.90000114.3Y111 Y112 S157 P191 V218 V268V109-Y111 PolarHBondContact O-N 3.13Å; V109-Y112 HydrophobicContact CB-CD2 4.15Å; V109-Y112 HydrophobicContact CG1-CE2 4.45Å; V109-Y112 WeakPolarHBondContact O-CD2 3.41Å; V109-Y112 PolarHBondContact O-N 3.33Å; V109-S157 PolarHBondContact N-O 3.46Å; V109-P191 HydrophobicContact CG2-CB 4.14Å; V109-P191 HydrophobicContact CG2-CG 3.7Å; V109-V218 HydrophobicContact CG1-CG1 3.8Å; V109-V268 HydrophobicContact CB-CG2 4.08Å; V109-V268 HydrophobicContact CG1-CB 4.37Å; V109-V268 HydrophobicContact CG1-CG1 4.1Å; V109-V268 HydrophobicContact CG1-CG2 3.99Å
110A97.8Very high97.7Very high18 Ų1838.7 Ų38.715%0.14920%0.203CC..G310 helixtrans-60.4-8.5169.800000113.5G108 Y112 F132 S133G108-A110 PolarHBondContact O-N 2.82Å; G108-A110 VanDerWaalsContact O-N 3.09Å; A110-Y112 PolarHBondContact O-N 2.92Å; A110-F132 HydrophobicContact CB-CB 3.76Å; A110-S133 VanDerWaalsContact O-CA 3.29Å; A110-S133 WeakPolarHBondContact O-CA 3.45Å; A110-S133 WeakPolarHBondContact O-CB 3.42Å
111Y98.6Very high97.7Very high40 Ų4040.1 Ų40.116%0.15721%0.21CC..G310 helixtrans-57.8-37.9164.6-173.9-98000112.5G108 V109 G126 G127 F129 V136 R156G108-Y111 PolarHBondContact O-N 3.36Å; V109-Y111 PolarHBondContact O-N 3.13Å; Y111-G126 VanDerWaalsContact CE1-CA 3.49Å; Y111-G126 VanDerWaalsContact CZ-C 3.41Å; Y111-G126 CarbonylContact O-C 3.59Å; Y111-G126 VanDerWaalsContact O-CA 3.3Å; Y111-G126 WeakPolarHBondContact O-CA 3.47Å; Y111-G126 PolarHBondContact OH-O 3.5Å; Y111-G127 PolarHBondContact O-N 3.1Å; Y111-F129 VanDerWaalsContact O-CE1 3.23Å; Y111-F129 WeakPolarHBondContact O-CE1 3.36Å; Y111-V136 HydrophobicContact CD2-CB 4.32Å; Y111-V136 HydrophobicContact CD2-CG1 3.89Å; Y111-V136 HydrophobicContact CG-CG1 4.31Å; Y111-R156 VanDerWaalsContact CD1-NH1 3.31Å
112Y98.4Very high97.7Very high0 Ų035.7 Ų35.70%019%0.194CC..SBendtrans-87.8139.1-175.3-51.2-68.7000111.1V109 A110 Y120 D121 E122 F129 R156 N216 Q266 V268V109-Y112 HydrophobicContact CB-CD2 4.15Å; V109-Y112 HydrophobicContact CG1-CE2 4.45Å; V109-Y112 WeakPolarHBondContact O-CD2 3.41Å; V109-Y112 PolarHBondContact O-N 3.33Å; A110-Y112 PolarHBondContact O-N 2.92Å; Y112-Y120 AromaticContact CD1-CD1 3.96Å; Y112-Y120 HydrophobicContact CD1-CD1 3.96Å; Y112-Y120 AromaticContact CD1-CG 3.93Å; Y112-Y120 HydrophobicContact CD1-CG 3.93Å; Y112-Y120 HydrophobicContact CG-CD1 4.32Å; Y112-Y120 HydrophobicContact CG-CD2 4.42Å; Y112-Y120 AromaticContact CG-CG 3.93Å; Y112-Y120 HydrophobicContact CG-CG 3.93Å; Y112-D121 WeakPolarHBondContact CE1-O 3.42Å; Y112-D121 PolarHBondContact OH-O 3.14Å; Y112-E122 WeakPolarHBondContact OH-CA 3.33Å; Y112-F129 VanDerWaalsContact C-CZ 3.42Å; Y112-F129 WeakPolarHBondContact O-CZ 3.37Å; Y112-R156 PolarHBondContact OH-NH1 3.43Å; Y112-N216 WeakPolarHBondContact CE2-OD1 3.46Å; Y112-N216 PolarHBondContact OH-ND2 2.78Å; Y112-N216 PolarHBondContact OH-OD1 2.87Å; Y112-Q266 VanDerWaalsContact O-CG 3.3Å; Y112-Q266 WeakPolarHBondContact O-CG 3.15Å; Y112-Q266 PolarHBondContact O-NE2 2.83Å; Y112-V268 HydrophobicContact CD2-CG1 4.37Å; Y112-V268 HydrophobicContact CD2-CG2 3.91Å; Y112-V268 HydrophobicContact CE2-CG1 4.05Å; Y112-V268 HydrophobicContact CE2-CG2 4.4Å
113K97.8Very high97.8Very high125 Ų12541.3 Ų41.354%0.54322%0.224SC..PPolyproline II helixtrans-66.6129.8-178.6-168.1175.1179.7-179.60109.9S115 Y120 F129K113-S115 PolarHBondContact O-N 3.01Å; K113-Y120 WeakPolarHBondContact O-CE2 3.46Å; K113-Y120 PolarHBondContact O-OH 3.29Å; K113-F129 VanDerWaalsContact CA-CE1 3.46Å; K113-F129 HydrophobicContact CB-CD1 3.91Å; K113-F129 HydrophobicContact CB-CE1 3.68Å; K113-F129 HydrophobicContact CB-CE2 4.46Å; K113-F129 HydrophobicContact CB-CG 4.41Å; K113-F129 HydrophobicContact CB-CZ 4.01Å; K113-F129 HydrophobicContact CG-CD1 4.17Å; K113-F129 HydrophobicContact CG-CD2 4.28Å; K113-F129 HydrophobicContact CG-CE1 4.3Å; K113-F129 HydrophobicContact CG-CE2 4.42Å; K113-F129 HydrophobicContact CG-CG 4.17Å; K113-F129 HydrophobicContact CG-CZ 4.46Å
114P96.9Very high97.7Very high22 Ų2242.2 Ų42.214%0.14323%0.231CC..PPolyproline II helixtrans-56.6134.6172.1-19.427.9000111.7T260 E264 G265P114-T260 HydrophobicContact CG-CG2 4.46Å; P114-E264 HydrophobicContact CB-CB 3.65Å; P114-E264 WeakPolarHBondContact CB-OE2 3.29Å; P114-E264 HydrophobicContact CG-CB 4.16Å; P114-G265 WeakPolarHBondContact CA-O 3.36Å
115S96.3Very high97.7Very high20 Ų2047.5 Ų47.514%0.1427%0.265CS..  trans-158.2139.9-179.81800000111.1K113 T117 E118 F189 G265K113-S115 PolarHBondContact O-N 3.01Å; S115-T117 VanDerWaalsContact C-N 3.29Å; S115-T117 PolarHBondContact OG-N 3.44Å; S115-T117 PolarHBondContact OG-OG1 3.36Å; S115-E118 VanDerWaalsContact OG-CG 3.29Å; S115-E118 WeakPolarHBondContact OG-CG 3.4Å; S115-E118 PolarHBondContact OG-N 3.11Å; S115-E118 VanDerWaalsContact OG-N 3.15Å; S115-F189 WeakPolarHBondContact O-CD2 3.4Å; S115-F189 WeakPolarHBondContact O-CE2 3.22Å; S115-G265 PolarHBondContact N-O 3.5Å; S115-G265 VanDerWaalsContact N-O 3.1Å
116P93.9Very high97.7Very high112 Ų11248.3 Ų48.373%0.72727%0.273SS*.SBendtrans-76.5-13.4174.331.6-34.8000113.6F189P116-F189 WeakPolarHBondContact O-CE2 3.32Å
117T94.3Very high97.6Very high108 Ų10847.9 Ų47.966%0.66327%0.271SS*.SBendtrans-123.3-30.6-172.454.40000114.2S115S115-T117 VanDerWaalsContact C-N 3.29Å; S115-T117 PolarHBondContact OG-N 3.44Å; S115-T117 PolarHBondContact OG-OG1 3.36Å
118E97.3Very high97.5Very high103 Ų10353.2 Ų53.248%0.48130%0.299SS..  trans-74.4145.1-174.8-61.1-60.4120.900111.3S115 Y120 K267S115-E118 VanDerWaalsContact OG-CG 3.29Å; S115-E118 WeakPolarHBondContact OG-CG 3.4Å; S115-E118 PolarHBondContact OG-N 3.11Å; S115-E118 VanDerWaalsContact OG-N 3.15Å; E118-Y120 HydrophobicContact CB-CE1 4.22Å; E118-Y120 HydrophobicContact CB-CE2 3.82Å; E118-Y120 VanDerWaalsContact CB-OH 3.3Å; E118-Y120 WeakPolarHBondContact CB-OH 3.46Å; E118-K267 WeakPolarHBondContact O-CB 3.47Å
119E98.1Very high97.5Very high88 Ų8855.6 Ų55.641%0.41131%0.306SS..EExtended strand (participates in β ladder)trans-112.3135.4172-174.9174.9112.500109.2K267 V269E119-K267 HydrophobicContact CB-CD 4.05Å; E119-K267 HydrophobicContact CG-CD 4.07Å; E119-K267 HydrophobicContact CG-CG 4.34Å; E119-K267 WeakPolarHBondContact OE2-CE 3.26Å; E119-K267 IonicContact OE2-NZ 2.7Å; E119-K267 PolarHBondContact OE2-NZ 3.03Å; E119-V269 HydrophobicContact CG-CG2 3.58Å
120Y98.6Very high97.4Very high23 Ų2357.1 Ų57.19%0.0931%0.314CS..EExtended strand (participates in β ladder)trans-121.1136.4-177.4-57.5-75.5000111.2Y112 K113 E118 Q266 K267 V268 V269Y112-Y120 AromaticContact CD1-CD1 3.96Å; Y112-Y120 HydrophobicContact CD1-CD1 3.96Å; Y112-Y120 AromaticContact CD1-CG 3.93Å; Y112-Y120 HydrophobicContact CD1-CG 3.93Å; Y112-Y120 HydrophobicContact CG-CD1 4.32Å; Y112-Y120 HydrophobicContact CG-CD2 4.42Å; Y112-Y120 AromaticContact CG-CG 3.93Å; Y112-Y120 HydrophobicContact CG-CG 3.93Å; K113-Y120 WeakPolarHBondContact O-CE2 3.46Å; K113-Y120 PolarHBondContact O-OH 3.29Å; E118-Y120 HydrophobicContact CB-CE1 4.22Å; E118-Y120 HydrophobicContact CB-CE2 3.82Å; E118-Y120 VanDerWaalsContact CB-OH 3.3Å; E118-Y120 WeakPolarHBondContact CB-OH 3.46Å; Y120-Q266 HydrophobicContact CD2-CB 4.1Å; Y120-Q266 HydrophobicContact CE2-CB 4.37Å; Y120-K267 PolarHBondContact N-O 2.83Å; Y120-V268 CarbonylContact O-C 3.52Å; Y120-V268 WeakPolarHBondContact O-CA 3.46Å; Y120-V269 PolarHBondContact O-N 2.98Å
121D98.6Very high97.4Very high31 Ų3158.3 Ų58.317%0.16632%0.316CS..  trans-118.4-171.3164.76612.4000111.1Y112 D123 S124 N216 R271Y112-D121 WeakPolarHBondContact CE1-O 3.42Å; Y112-D121 PolarHBondContact OH-O 3.14Å; D121-D123 PolarHBondContact O-N 3.43Å; D121-D123 PolarHBondContact OD1-N 3.18Å; D121-S124 PolarHBondContact N-OG 2.98Å; D121-S124 WeakPolarHBondContact O-CB 3.24Å; D121-S124 PolarHBondContact O-N 2.7Å; D121-S124 PolarHBondContact O-OG 3.37Å; D121-S124 PolarHBondContact OD1-N 3.14Å; D121-S124 PolarHBondContact OD1-OG 3.23Å; D121-N216 VanDerWaalsContact C-ND2 3.33Å; D121-R271 HydrophobicContact CB-CB 4.11Å; D121-R271 IonicContact OD2-CZ 3.59Å; D121-R271 IonicContact OD2-NE 2.83Å; D121-R271 PolarHBondContact OD2-NE 3.27Å
122E98.6Very high97.3Very high7 Ų756.9 Ų56.93%0.03331%0.31CS..THydrogen-bonded Turntrans-65.5-24.5-174.9-68.292.4161.300114.4Y112 V214 N216 R271 R272 T273Y112-E122 WeakPolarHBondContact OH-CA 3.33Å; E122-V214 HydrophobicContact CB-CB 4.23Å; E122-V214 HydrophobicContact CB-CG1 4.04Å; E122-V214 HydrophobicContact CG-CG1 4.05Å; E122-N216 HydrophobicContact CG-CB 4.11Å; E122-N216 PolarHBondContact N-ND2 3.45Å; E122-N216 WeakPolarHBondContact OE1-CB 3.46Å; E122-N216 PolarHBondContact OE1-N 2.9Å; E122-R271 PolarHBondContact OE1-N 2.86Å; E122-R271 PolarHBondContact OE2-N 3.17Å; E122-R272 HydrophobicContact CB-CB 4.3Å; E122-R272 VanDerWaalsContact CB-CD 3.44Å; E122-R272 HydrophobicContact CB-CG 3.9Å; E122-R272 VanDerWaalsContact CD-N 3.29Å; E122-R272 HydrophobicContact CG-CB 3.98Å; E122-R272 HydrophobicContact CG-CG 4.14Å; E122-R272 PolarHBondContact OE1-N 3.03Å; E122-R272 PolarHBondContact OE2-N 2.82Å; E122-T273 PolarHBondContact OE1-N 3.45Å; E122-T273 PolarHBondContact OE1-OG1 2.9Å
123D98.4Very high97.3Very high117 Ų11756.9 Ų56.963%0.62631%0.31SS*.THydrogen-bonded Turntrans-93.4-5.7-179.1-60.8-41.6000112.2D121 R272D121-D123 PolarHBondContact O-N 3.43Å; D121-D123 PolarHBondContact OD1-N 3.18Å; D123-R272 IonicContact OD1-NH1 3.48Å
124S98.6Very high97.3Very high23 Ų2354 Ų5416%0.16130%0.301CS..SBendtrans-68.4142.1-179.9-61.50000112.5D121D121-S124 PolarHBondContact N-OG 2.98Å; D121-S124 WeakPolarHBondContact O-CB 3.24Å; D121-S124 PolarHBondContact O-N 2.7Å; D121-S124 PolarHBondContact O-OG 3.37Å; D121-S124 PolarHBondContact OD1-N 3.14Å; D121-S124 PolarHBondContact OD1-OG 3.23Å
125P98.1Very high97.3Very high111 Ų11153.3 Ų53.372%0.72130%0.296SS*.  trans-73.1155.2-177.131.5-36.2000112.3
126G97.6Very high97.4Very high17 Ų1752.6 Ų52.618%0.17529%0.29CS..  trans176.8-161.5178.100000113.5Y111Y111-G126 VanDerWaalsContact CE1-CA 3.49Å; Y111-G126 VanDerWaalsContact CZ-C 3.41Å; Y111-G126 CarbonylContact O-C 3.59Å; Y111-G126 VanDerWaalsContact O-CA 3.3Å; Y111-G126 WeakPolarHBondContact O-CA 3.47Å; Y111-G126 PolarHBondContact OH-O 3.5Å
127G97.6Very high97.6Very high1 Ų148.9 Ų48.91%0.0127%0.266CS..SBendtrans84.812.6167.800000116.2Y111 S133 N134 T137Y111-G127 PolarHBondContact O-N 3.1Å; G127-S133 CarbonylContact C-O 3.47Å; G127-S133 WeakPolarHBondContact CA-O 3.23Å; G127-S133 CarbonylContact O-C 3.56Å; G127-N134 WeakPolarHBondContact O-CA 3.35Å; G127-N134 PolarHBondContact O-N 3.4Å; G127-T137 VanDerWaalsContact C-OG1 3.31Å; G127-T137 WeakPolarHBondContact CA-OG1 3.39Å; G127-T137 PolarHBondContact O-OG1 2.98Å
128N97.2Very high97.8Very high126 Ų12648.8 Ų48.867%0.67426%0.256SS*.  trans-143.221.2-168.667.4-12.7000115.7S133N128-S133 PolarHBondContact N-OG 3.17Å
129F96.8Very high97.9Very high63 Ų6344.8 Ų44.828%0.27624%0.237SC..SBendtrans-118.7-23.3-174.453.4-97.1000115Y111 Y112 K113 S133Y111-F129 VanDerWaalsContact O-CE1 3.23Å; Y111-F129 WeakPolarHBondContact O-CE1 3.36Å; Y112-F129 VanDerWaalsContact C-CZ 3.42Å; Y112-F129 WeakPolarHBondContact O-CZ 3.37Å; K113-F129 VanDerWaalsContact CA-CE1 3.46Å; K113-F129 HydrophobicContact CB-CD1 3.91Å; K113-F129 HydrophobicContact CB-CE1 3.68Å; K113-F129 HydrophobicContact CB-CE2 4.46Å; K113-F129 HydrophobicContact CB-CG 4.41Å; K113-F129 HydrophobicContact CB-CZ 4.01Å; K113-F129 HydrophobicContact CG-CD1 4.17Å; K113-F129 HydrophobicContact CG-CD2 4.28Å; K113-F129 HydrophobicContact CG-CE1 4.3Å; K113-F129 HydrophobicContact CG-CE2 4.42Å; K113-F129 HydrophobicContact CG-CG 4.17Å; K113-F129 HydrophobicContact CG-CZ 4.46Å; F129-S133 PolarHBondContact N-OG 3.11Å
130D96.3Very high97.9Very high45 Ų4541.9 Ų41.924%0.24122%0.223CC..SBendtrans-147.5-178.3177.673.524.4000112.8F132 S133 N134D130-F132 VanDerWaalsContact C-N 3.34Å; D130-F132 PolarHBondContact O-N 2.9Å; D130-F132 WeakPolarHBondContact OD1-CA 3.47Å; D130-F132 PolarHBondContact OD1-N 2.78Å; D130-S133 PolarHBondContact N-OG 2.96Å; D130-S133 PolarHBondContact O-OG 2.84Å; D130-S133 VanDerWaalsContact O-OG 3.09Å; D130-S133 PolarHBondContact OD1-N 3.29Å; D130-N134 VanDerWaalsContact O-CB 3.31Å; D130-N134 WeakPolarHBondContact O-CB 3.5Å; D130-N134 PolarHBondContact O-N 2.8Å; D130-N134 PolarHBondContact O-ND2 2.9Å
131F96.7Very high97.9Very high43 Ų4346 Ų4619%0.18924%0.243CC..Hα-helixtrans-55.9-45179.2177.4-88.8000113W70 Q75 V78 L79 L135W70-F131 HydrophobicContact CH2-CD1 4.3Å; W70-F131 AromaticContact CH2-CE1 3.83Å; W70-F131 HydrophobicContact CH2-CE1 3.83Å; W70-F131 HydrophobicContact CH2-CZ 4.37Å; W70-F131 AromaticContact CZ2-CD1 3.87Å; W70-F131 HydrophobicContact CZ2-CD1 3.87Å; W70-F131 AromaticContact CZ2-CE1 3.77Å; W70-F131 HydrophobicContact CZ2-CE1 3.77Å; W70-F131 HydrophobicContact CZ2-CG 4.46Å; W70-F131 HydrophobicContact CZ2-CZ 4.26Å; Q75-F131 HydrophobicContact CB-CE2 3.88Å; Q75-F131 HydrophobicContact CB-CZ 3.97Å; Q75-F131 HydrophobicContact CG-CE2 4Å; Q75-F131 HydrophobicContact CG-CZ 4.14Å; V78-F131 HydrophobicContact CG1-CE1 4.1Å; V78-F131 HydrophobicContact CG1-CZ 4.38Å; L79-F131 HydrophobicContact CD1-CE2 3.83Å; L79-F131 HydrophobicContact CD1-CZ 3.98Å; L79-F131 HydrophobicContact CG-CE2 4.28Å; L79-F131 HydrophobicContact CG-CZ 3.95Å; F131-L135 HydrophobicContact CE1-CD2 4.49Å; F131-L135 VanDerWaalsContact O-CB 3.31Å; F131-L135 WeakPolarHBondContact O-CB 3.32Å; F131-L135 PolarHBondContact O-N 2.96Å
132F97.1Very high97.9Very high9 Ų944.7 Ų44.74%0.03924%0.237CC..Hα-helixtrans-76.9-36.7-174.5-64.2-67.1000112.1V63 W70 A110 D130 L135 V136 E257 R258 M261V63-F132 HydrophobicContact CB-CE1 4.49Å; V63-F132 HydrophobicContact CG1-CD1 4.48Å; V63-F132 HydrophobicContact CG1-CE1 3.43Å; V63-F132 VanDerWaalsContact CG1-CE1 3.43Å; V63-F132 HydrophobicContact CG1-CZ 3.7Å; V63-F132 HydrophobicContact CG2-CE1 4.23Å; W70-F132 AromaticContact CH2-CE1 3.87Å; W70-F132 HydrophobicContact CH2-CE1 3.87Å; W70-F132 AromaticContact CH2-CZ 3.71Å; W70-F132 HydrophobicContact CH2-CZ 3.71Å; W70-F132 HydrophobicContact CZ2-CE1 4.19Å; W70-F132 AromaticContact CZ2-CZ 3.7Å; W70-F132 HydrophobicContact CZ2-CZ 3.7Å; A110-F132 HydrophobicContact CB-CB 3.76Å; D130-F132 VanDerWaalsContact C-N 3.34Å; D130-F132 PolarHBondContact O-N 2.9Å; D130-F132 WeakPolarHBondContact OD1-CA 3.47Å; D130-F132 PolarHBondContact OD1-N 2.78Å; F132-L135 HydrophobicContact CD1-CD2 4.36Å; F132-L135 WeakPolarHBondContact O-CB 3.39Å; F132-L135 PolarHBondContact O-N 2.92Å; F132-V136 WeakPolarHBondContact O-CG2 3.39Å; F132-V136 PolarHBondContact O-N 3.13Å; F132-E257 WeakPolarHBondContact CE2-O 3.11Å; F132-R258 HydrophobicContact CE2-CG 4.49Å; F132-R258 HydrophobicContact CZ-CG 3.9Å; F132-M261 HydrophobicContact CD1-SD 3.99Å; F132-M261 HydrophobicContact CD2-CG 3.87Å; F132-M261 HydrophobicContact CD2-SD 3.87Å; F132-M261 HydrophobicContact CE1-SD 3.82Å; F132-M261 HydrophobicContact CE2-CG 3.89Å; F132-M261 HydrophobicContact CE2-SD 3.66Å; F132-M261 HydrophobicContact CG-CG 4.44Å; F132-M261 HydrophobicContact CG-SD 4.03Å; F132-M261 HydrophobicContact CZ-CG 4.48Å; F132-M261 HydrophobicContact CZ-SD 3.65Å
133S97.8Very high97.9Very high0 Ų044.5 Ų44.50%024%0.236CC..Hα-helixtrans-63.5-46.117480.20000110.4A110 G127 N128 F129 D130 L135 V136 T137A110-S133 VanDerWaalsContact O-CA 3.29Å; A110-S133 WeakPolarHBondContact O-CA 3.45Å; A110-S133 WeakPolarHBondContact O-CB 3.42Å; G127-S133 CarbonylContact C-O 3.47Å; G127-S133 WeakPolarHBondContact CA-O 3.23Å; G127-S133 CarbonylContact O-C 3.56Å; N128-S133 PolarHBondContact N-OG 3.17Å; F129-S133 PolarHBondContact N-OG 3.11Å; D130-S133 PolarHBondContact N-OG 2.96Å; D130-S133 PolarHBondContact O-OG 2.84Å; D130-S133 VanDerWaalsContact O-OG 3.09Å; D130-S133 PolarHBondContact OD1-N 3.29Å; S133-L135 VanDerWaalsContact C-N 3.31Å; S133-L135 PolarHBondContact O-N 2.93Å; S133-V136 PolarHBondContact O-N 3.46Å; S133-T137 PolarHBondContact O-N 2.83Å; S133-T137 VanDerWaalsContact O-N 3.08Å; S133-T137 PolarHBondContact O-OG1 3.24Å
134N98Very high97.8Very high65 Ų6547.4 Ų47.435%0.34824%0.239SC..Hα-helixtrans-65.1-35.7176.3-78.5-70.4000111.9G127 D130 K138G127-N134 WeakPolarHBondContact O-CA 3.35Å; G127-N134 PolarHBondContact O-N 3.4Å; D130-N134 VanDerWaalsContact O-CB 3.31Å; D130-N134 WeakPolarHBondContact O-CB 3.5Å; D130-N134 PolarHBondContact O-N 2.8Å; D130-N134 PolarHBondContact O-ND2 2.9Å; N134-K138 WeakPolarHBondContact O-CG 3.48Å; N134-K138 PolarHBondContact O-N 2.93Å
135L98Very high97.8Very high7 Ų747 Ų474%0.03723%0.234CC..Hα-helixtrans-59.3-49.4172167.366.7000110.6V78 L79 F131 F132 S133 T137 K138 W139V78-L135 HydrophobicContact CG1-CD2 3.92Å; L79-L135 HydrophobicContact CD2-CB 4.37Å; L79-L135 HydrophobicContact CD2-CD1 3.54Å; L79-L135 HydrophobicContact CG-CD1 4.31Å; F131-L135 HydrophobicContact CE1-CD2 4.49Å; F131-L135 VanDerWaalsContact O-CB 3.31Å; F131-L135 WeakPolarHBondContact O-CB 3.32Å; F131-L135 PolarHBondContact O-N 2.96Å; F132-L135 HydrophobicContact CD1-CD2 4.36Å; F132-L135 WeakPolarHBondContact O-CB 3.39Å; F132-L135 PolarHBondContact O-N 2.92Å; S133-L135 VanDerWaalsContact C-N 3.31Å; S133-L135 PolarHBondContact O-N 2.93Å; L135-T137 PolarHBondContact O-N 3.44Å; L135-K138 PolarHBondContact O-N 3.41Å; L135-W139 WeakPolarHBondContact O-CB 3.48Å; L135-W139 PolarHBondContact O-N 3.32Å
136V98.4Very high97.5Very high5 Ų546.2 Ų46.23%0.0323%0.229CC..Hα-helixtrans-61.4-44.6-179.4177.50000111T107 Y111 F132 S133 K138 W139 E140T107-V136 HydrophobicContact CG2-CG1 4.44Å; Y111-V136 HydrophobicContact CD2-CB 4.32Å; Y111-V136 HydrophobicContact CD2-CG1 3.89Å; Y111-V136 HydrophobicContact CG-CG1 4.31Å; F132-V136 WeakPolarHBondContact O-CG2 3.39Å; F132-V136 PolarHBondContact O-N 3.13Å; S133-V136 PolarHBondContact O-N 3.46Å; V136-K138 PolarHBondContact O-N 2.81Å; V136-W139 PolarHBondContact O-N 2.93Å; V136-W139 VanDerWaalsContact O-N 3.17Å; V136-E140 HydrophobicContact CG1-CG 4.16Å; V136-E140 VanDerWaalsContact CG1-OE1 3.22Å; V136-E140 WeakPolarHBondContact CG1-OE1 3.3Å; V136-E140 WeakPolarHBondContact O-CG 3.38Å; V136-E140 PolarHBondContact O-N 3.01Å
137T98.6Very high97.3Very high35 Ų3548.1 Ų48.122%0.21525%0.249CC..Hα-helixtrans-55.6-54.3175.5-60.10000112G127 S133 L135 W139 E140 E141G127-T137 VanDerWaalsContact C-OG1 3.31Å; G127-T137 WeakPolarHBondContact CA-OG1 3.39Å; G127-T137 PolarHBondContact O-OG1 2.98Å; S133-T137 PolarHBondContact O-N 2.83Å; S133-T137 VanDerWaalsContact O-N 3.08Å; S133-T137 PolarHBondContact O-OG1 3.24Å; L135-T137 PolarHBondContact O-N 3.44Å; T137-W139 PolarHBondContact O-N 3.34Å; T137-E140 PolarHBondContact O-N 3.14Å; T137-E141 WeakPolarHBondContact O-CB 3.41Å; T137-E141 VanDerWaalsContact O-CG 3.3Å; T137-E141 WeakPolarHBondContact O-CG 3.27Å; T137-E141 PolarHBondContact O-N 2.94Å
138K98.6Very high96.9Very high105 Ų10557.3 Ų57.346%0.45729%0.292SS..Hα-helixtrans-61.6-33.2179.1-70.1176.5-178.4-178.90112.2L83 N134 L135 V136 A142L83-K138 HydrophobicContact CD1-CB 4.28Å; L83-K138 HydrophobicContact CD2-CB 3.97Å; L83-K138 WeakPolarHBondContact CD2-O 3.4Å; N134-K138 WeakPolarHBondContact O-CG 3.48Å; N134-K138 PolarHBondContact O-N 2.93Å; L135-K138 PolarHBondContact O-N 3.41Å; V136-K138 PolarHBondContact O-N 2.81Å; K138-A142 VanDerWaalsContact O-CB 3.31Å; K138-A142 WeakPolarHBondContact O-CB 3.14Å; K138-A142 PolarHBondContact O-N 2.8Å
139W98.4Very high96.8Very high19 Ų1955.6 Ų55.67%0.07229%0.29CS..Hα-helixtrans-72.3-43-179.2-163.51.4000112R82 L83 T86 L105 V106 T107 L135 V136 T137 A142 A143R82-W139 HydrophobicContact CB-CD2 3.79Å; R82-W139 HydrophobicContact CB-CE3 4.28Å; R82-W139 HydrophobicContact CB-CG 4.22Å; R82-W139 HydrophobicContact CB-CH2 4.31Å; R82-W139 HydrophobicContact CB-CZ2 3.81Å; R82-W139 VanDerWaalsContact CD-CH2 3.45Å; R82-W139 HydrophobicContact CG-CD2 4.09Å; R82-W139 HydrophobicContact CG-CE3 4.14Å; R82-W139 HydrophobicContact CG-CH2 3.58Å; R82-W139 HydrophobicContact CG-CZ2 3.48Å; R82-W139 VanDerWaalsContact CG-CZ2 3.48Å; R82-W139 HydrophobicContact CG-CZ3 3.92Å; R82-W139 PolarHBondContact O-NE1 2.88Å; L83-W139 HydrophobicContact CD2-CB 4.03Å; L83-W139 HydrophobicContact CD2-CG 4.46Å; T86-W139 PolarHBondContact OG1-NE1 3.29Å; L105-W139 HydrophobicContact CD2-CG 4.29Å; V106-W139 WeakPolarHBondContact O-CH2 3.38Å; T107-W139 HydrophobicContact CG2-CB 4.42Å; T107-W139 HydrophobicContact CG2-CD2 3.93Å; T107-W139 HydrophobicContact CG2-CE3 3.96Å; T107-W139 HydrophobicContact CG2-CG 4.13Å; L135-W139 WeakPolarHBondContact O-CB 3.48Å; L135-W139 PolarHBondContact O-N 3.32Å; V136-W139 PolarHBondContact O-N 2.93Å; V136-W139 VanDerWaalsContact O-N 3.17Å; T137-W139 PolarHBondContact O-N 3.34Å; W139-A142 PolarHBondContact O-N 3.24Å; W139-A143 PolarHBondContact O-N 3.5Å
140E98.6Very high96.8Very high28 Ų2852.9 Ų52.913%0.13128%0.278CS..Hα-helixtrans-67.3-37.8174.1-66.7-178.4-172.800111.4L105 T107 V136 T137 A143 R144 V154 R156L105-E140 HydrophobicContact CD2-CG 4.48Å; T107-E140 HydrophobicContact CG2-CG 3.83Å; T107-E140 PolarHBondContact OG1-OE1 2.8Å; V136-E140 HydrophobicContact CG1-CG 4.16Å; V136-E140 VanDerWaalsContact CG1-OE1 3.22Å; V136-E140 WeakPolarHBondContact CG1-OE1 3.3Å; V136-E140 WeakPolarHBondContact O-CG 3.38Å; V136-E140 PolarHBondContact O-N 3.01Å; T137-E140 PolarHBondContact O-N 3.14Å; E140-A143 PolarHBondContact O-N 3.13Å; E140-R144 PolarHBondContact O-N 3.26Å; E140-V154 HydrophobicContact CG-CG1 3.88Å; E140-V154 HydrophobicContact CG-CG2 4.47Å; E140-R156 IonicContact OE1-CZ 3.51Å; E140-R156 IonicContact OE1-NE 3.36Å; E140-R156 PolarHBondContact OE1-NE 3.13Å; E140-R156 IonicContact OE1-NH2 3.21Å; E140-R156 PolarHBondContact OE1-NH2 2.81Å; E140-R156 IonicContact OE2-CZ 2.79Å; E140-R156 IonicContact OE2-NE 3.81Å; E140-R156 IonicContact OE2-NH2 3.92Å; E140-R156 PolarHBondContact OE2-NH2 3.11Å
141E98.3Very high96.9Very high109 Ų10952.2 Ų52.251%0.50927%0.272SS..Hα-helixtrans-61.6-42.6171.6-74.3173.3175.200112T137 A143 R144T137-E141 WeakPolarHBondContact O-CB 3.41Å; T137-E141 VanDerWaalsContact O-CG 3.3Å; T137-E141 WeakPolarHBondContact O-CG 3.27Å; T137-E141 PolarHBondContact O-N 2.94Å; E141-A143 PolarHBondContact O-N 2.88Å; E141-R144 WeakPolarHBondContact O-CB 3.22Å; E141-R144 PolarHBondContact O-N 3.14Å; E141-R144 VanDerWaalsContact O-N 3.1Å
142A98.3Very high97Very high3 Ų352.9 Ų52.93%0.02528%0.276CS..Hα-helixtrans-63.5-25.7178.700000113.8L83 T86 H87 A90 K138 W139L83-A142 HydrophobicContact CD2-CB 4.19Å; T86-A142 HydrophobicContact CG2-CB 4.04Å; H87-A142 WeakPolarHBondContact CE1-CA 3.32Å; H87-A142 WeakPolarHBondContact CE1-CB 3.44Å; H87-A142 PolarHBondContact ND1-O 3.05Å; H87-A142 WeakPolarHBondContact NE2-CB 3.19Å; A90-A142 WeakPolarHBondContact CB-O 3.47Å; K138-A142 VanDerWaalsContact O-CB 3.31Å; K138-A142 WeakPolarHBondContact O-CB 3.14Å; K138-A142 PolarHBondContact O-N 2.8Å; W139-A142 PolarHBondContact O-N 3.24Å
143A98.2Very high97.1Very high3 Ų352.5 Ų52.53%0.02527%0.274CS..Hα-helixtrans-85.5-13177.100000113.7T86 W103 L105 W139 E140 E141 L145T86-A143 HydrophobicContact CG2-CB 3.51Å; W103-A143 HydrophobicContact CZ2-CB 3.82Å; W103-A143 PolarHBondContact NE1-O 3.34Å; L105-A143 HydrophobicContact CB-CB 4.32Å; L105-A143 HydrophobicContact CD2-CB 3.7Å; L105-A143 HydrophobicContact CG-CB 4.44Å; W139-A143 PolarHBondContact O-N 3.5Å; E140-A143 PolarHBondContact O-N 3.13Å; E141-A143 PolarHBondContact O-N 2.88Å; A143-L145 PolarHBondContact O-N 2.93Å
144R97.7Very high97.2Very high179 Ų17953.6 Ų53.668%0.67528%0.281SS*.PPolyproline II helixtrans-67.5121.4-173.1-168.4175.5-66.1179.91.5110.6E140 E141E140-R144 PolarHBondContact O-N 3.26Å; E141-R144 WeakPolarHBondContact O-CB 3.22Å; E141-R144 PolarHBondContact O-N 3.14Å; E141-R144 VanDerWaalsContact O-N 3.1Å
145L97.6Very high97.2Very high14 Ų1450.5 Ų50.57%0.07326%0.264CS..PPolyproline II helixtrans-90.2141.7174.7-56.5174.9000110.2A90 I93 W103 A143 T150 Q152A90-L145 HydrophobicContact CB-CD2 3.78Å; A90-L145 VanDerWaalsContact O-CD2 3.3Å; A90-L145 WeakPolarHBondContact O-CD2 3.3Å; I93-L145 HydrophobicContact CB-CD1 4.44Å; I93-L145 HydrophobicContact CB-CD2 4.11Å; I93-L145 HydrophobicContact CG2-CD1 3.56Å; I93-L145 HydrophobicContact CG2-CD2 4Å; I93-L145 HydrophobicContact CG2-CG 4.45Å; W103-L145 HydrophobicContact CB-CD1 4.08Å; W103-L145 HydrophobicContact CG-CD1 4.14Å; A143-L145 PolarHBondContact O-N 2.93Å; L145-T150 HydrophobicContact CD1-CG2 3.76Å; L145-Q152 HydrophobicContact CD1-CG 4.21Å; L145-Q152 HydrophobicContact CG-CG 4.49Å; L145-Q152 PolarHBondContact O-NE2 3.11Å
146P92.9Very high97.2Very high95 Ų9550.6 Ų50.662%0.61726%0.264SS*.SBendtrans-74137.7165.631.4-32.2000110.3T94T94-P146 HydrophobicContact CG2-CG 3.8Å
147G91.4Very high97.2Very high57 Ų5750.8 Ų50.859%0.58827%0.266SS*.SBendtrans85.8-175177.300000114.9
148E90.3Very high97.1Very high194 Ų19449.6 Ų49.691%0.90726%0.26SS*.SBendtrans-119.16.7-170.5-59.8-173.4166.800113.6T150E148-T150 PolarHBondContact O-N 3.13Å
149S94.5Very high97Very high90 Ų9046.8 Ų46.863%0.62925%0.252SS*.SBendtrans-66.2-24.6-177.755.20000113.8
150T98.1Very high96.9Very high6 Ų646.6 Ų46.64%0.03725%0.253CS..SBendtrans-124.5123.3179.5-62.10000109.5I93 P100 W103 L145 E148 Q152I93-T150 HydrophobicContact CG2-CG2 4.27Å; P100-T150 HydrophobicContact CG-CG2 4.31Å; P100-T150 WeakPolarHBondContact O-CB 3.25Å; P100-T150 VanDerWaalsContact O-CG2 3.27Å; P100-T150 WeakPolarHBondContact O-CG2 3.24Å; P100-T150 PolarHBondContact O-OG1 2.85Å; W103-T150 HydrophobicContact CB-CG2 3.65Å; L145-T150 HydrophobicContact CD1-CG2 3.76Å; E148-T150 PolarHBondContact O-N 3.13Å; T150-Q152 PolarHBondContact O-N 3.5Å
151R98.3Very high96.8Very high31 Ų3145.3 Ų45.312%0.11725%0.247CC..EExtended strand (participates in β ladder)trans-67.1130.8175.6-176.1169.257.372.9-4.2110.5R101 A102 W103 A205 A208 N209 V211 Q212R101-R151 WeakPolarHBondContact O-CB 3.48Å; R101-R151 PolarHBondContact O-N 3.2Å; A102-R151 CarbonylContact C-O 3.58Å; A102-R151 WeakPolarHBondContact CA-O 3.44Å; W103-R151 PolarHBondContact N-O 2.88Å; R151-A205 VanDerWaalsContact CZ-O 3.25Å; R151-A205 PolarHBondContact NH1-O 3.06Å; R151-A205 PolarHBondContact NH2-O 3.5Å; R151-A208 PolarHBondContact NH2-O 3.04Å; R151-N209 WeakPolarHBondContact CD-O 3.4Å; R151-N209 PolarHBondContact NE-O 3.18Å; R151-V211 WeakPolarHBondContact CD-O 3.15Å; R151-V211 PolarHBondContact NH1-O 3.38Å; R151-Q212 HydrophobicContact CG-CB 4.19Å
152Q98.6Very high96.6Very high56 Ų5640.1 Ų40.126%0.26222%0.223SC..EExtended strand (participates in β ladder)trans-109.1129-174.8-58.4-17873.300110.9L145 T150 G213L145-Q152 HydrophobicContact CD1-CG 4.21Å; L145-Q152 HydrophobicContact CG-CG 4.49Å; L145-Q152 PolarHBondContact O-NE2 3.11Å; T150-Q152 PolarHBondContact O-N 3.5Å; Q152-G213 PolarHBondContact O-N 2.98Å
153V98.8Very high96.2Very high2 Ų247.9 Ų47.91%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-130136174.8-175.20000109.6W103 I104 L105 V155 A205 V211 G213 L215W103-V153 PolarHBondContact O-N 2.95Å; I104-V153 VanDerWaalsContact CA-O 3.3Å; I104-V153 WeakPolarHBondContact CA-O 3.3Å; I104-V153 HydrophobicContact CG1-CB 4.24Å; I104-V153 HydrophobicContact CG2-CB 4.26Å; I104-V153 HydrophobicContact CG2-CG1 4.43Å; L105-V153 PolarHBondContact N-O 2.87Å; V153-V155 HydrophobicContact CG1-CG2 4.23Å; V153-A205 HydrophobicContact CG1-CB 4.05Å; V153-A205 HydrophobicContact CG2-CB 4.35Å; V153-V211 HydrophobicContact CG1-CG1 4.44Å; V153-V211 HydrophobicContact CG2-CG1 4.2Å; V153-V211 WeakPolarHBondContact CG2-O 3.39Å; V153-G213 CarbonylContact C-O 3.05Å; V153-G213 WeakPolarHBondContact CA-O 3.22Å; V153-L215 HydrophobicContact CG1-CD1 3.89Å; V153-L215 HydrophobicContact CG1-CG 4.14Å
154V98.9Very high95.3Very high22 Ų2251.9 Ų51.913%0.13329%0.293CS..EExtended strand (participates in β ladder)trans-119.1127170.21790000108.5L105 T107 E140 R156 G213 V214 L215L105-V154 HydrophobicContact CB-CG2 4.4Å; L105-V154 CarbonylContact O-C 3.54Å; L105-V154 WeakPolarHBondContact O-CA 3.21Å; T107-V154 HydrophobicContact CG2-CG1 4.21Å; E140-V154 HydrophobicContact CG-CG1 3.88Å; E140-V154 HydrophobicContact CG-CG2 4.47Å; V154-R156 HydrophobicContact CG1-CG 4.49Å; V154-G213 PolarHBondContact N-O 3.05Å; V154-V214 CarbonylContact O-C 3.57Å; V154-V214 WeakPolarHBondContact O-CA 3.41Å; V154-L215 PolarHBondContact O-N 2.64Å
155V98.9Very high94.6Very high0 Ų044.2 Ų44.20%027%0.27CS..EExtended strand (participates in β ladder)trans-107.4108.1174.5-174.30000109.3I104 L105 V106 T107 V153 S157 L198 I201 L202 L215I104-V155 HydrophobicContact CG2-CG2 4.33Å; L105-V155 PolarHBondContact O-N 2.61Å; V106-V155 WeakPolarHBondContact CA-O 3.1Å; V106-V155 HydrophobicContact CG2-CB 4.39Å; T107-V155 PolarHBondContact N-O 3.11Å; V153-V155 HydrophobicContact CG1-CG2 4.23Å; V155-S157 PolarHBondContact O-N 3.33Å; V155-L198 HydrophobicContact CG1-CD1 3.91Å; V155-I201 HydrophobicContact CG1-CG2 4.2Å; V155-I201 HydrophobicContact CG2-CG2 4.17Å; V155-L202 HydrophobicContact CB-CD2 4.34Å; V155-L202 HydrophobicContact CG2-CD2 3.83Å; V155-L215 CarbonylContact C-O 3.57Å; V155-L215 VanDerWaalsContact CA-O 3.3Å; V155-L215 WeakPolarHBondContact CA-O 3.39Å; V155-L215 HydrophobicContact CG2-CB 4.36Å; V155-L215 HydrophobicContact CG2-CD1 4.47Å
156R98.8Very high93.8Very high9 Ų945.2 Ų45.23%0.03428%0.283CS..EExtended strand (participates in β ladder)trans-81.596.6174.3-71.9173.9-178.2165.30.3108.9T107 Y111 Y112 E140 V154 V214 L215 G217T107-R156 WeakPolarHBondContact OG1-CG 3.48Å; Y111-R156 VanDerWaalsContact CD1-NH1 3.31Å; Y112-R156 PolarHBondContact OH-NH1 3.43Å; E140-R156 IonicContact OE1-CZ 3.51Å; E140-R156 IonicContact OE1-NE 3.36Å; E140-R156 PolarHBondContact OE1-NE 3.13Å; E140-R156 IonicContact OE1-NH2 3.21Å; E140-R156 PolarHBondContact OE1-NH2 2.81Å; E140-R156 IonicContact OE2-CZ 2.79Å; E140-R156 IonicContact OE2-NE 3.81Å; E140-R156 IonicContact OE2-NH2 3.92Å; E140-R156 PolarHBondContact OE2-NH2 3.11Å; V154-R156 HydrophobicContact CG1-CG 4.49Å; R156-V214 HydrophobicContact CG-CG1 4.21Å; R156-L215 PolarHBondContact N-O 3.23Å; R156-G217 PolarHBondContact O-N 3.45Å
157S98.3Very high93.4Very high10 Ų1041.6 Ų41.67%0.0726%0.261CS..EExtended strand (participates in β ladder)trans-77.7141.5-174.5-175.50000112.8G108 V109 V155 V160G108-S157 WeakPolarHBondContact CA-O 3.4Å; V109-S157 PolarHBondContact N-O 3.46Å; V155-S157 PolarHBondContact O-N 3.33Å; S157-V160 VanDerWaalsContact OG-CG2 3.32Å; S157-V160 WeakPolarHBondContact OG-CG2 3.49Å
158G97.1Very high93.1Very high9 Ų939 Ų399%0.09323%0.234CC..  trans-75.2-165.9158.800000112.2V160 P191 G217G158-V160 PolarHBondContact O-N 2.86Å; G158-P191 CarbonylContact C-O 3.59Å; G158-P191 WeakPolarHBondContact CA-O 3.38Å; G158-G217 PolarHBondContact N-O 2.95Å
159V96Very high92.8Very high46 Ų4632.1 Ų32.128%0.27922%0.215SC..EExtended strand (participates in β ladder)trans-67.2115.4172.7-175.40000109.5L161 A167 F190 P191 W192 I193V159-L161 HydrophobicContact CG1-CD2 3.86Å; V159-L161 PolarHBondContact O-N 3.25Å; V159-A167 HydrophobicContact CG1-CB 3.55Å; V159-F190 HydrophobicContact CB-CE2 4.34Å; V159-F190 HydrophobicContact CB-CZ 3.98Å; V159-F190 HydrophobicContact CG1-CE2 4.42Å; V159-F190 HydrophobicContact CG1-CZ 3.92Å; V159-F190 HydrophobicContact CG2-CE2 3.98Å; V159-F190 HydrophobicContact CG2-CZ 4.15Å; V159-P191 PolarHBondContact N-O 3.02Å; V159-W192 CarbonylContact O-C 3.21Å; V159-W192 VanDerWaalsContact O-CA 3.31Å; V159-W192 WeakPolarHBondContact O-CA 3.25Å; V159-I193 PolarHBondContact O-N 3.15Å
160V96.4Very high92.3Very high16 Ų1632 Ų3210%0.09720%0.204CC..EExtended strand (participates in β ladder)trans-80.3116.8-179.6-169.10000110.2F11 I12 S157 G158 I193 I195 L198F11-V160 HydrophobicContact CE1-CB 4.28Å; F11-V160 HydrophobicContact CE1-CG1 3.94Å; I12-V160 HydrophobicContact CD1-CG2 3.97Å; I12-V160 HydrophobicContact CG1-CG1 4.35Å; I12-V160 HydrophobicContact CG1-CG2 4.31Å; S157-V160 VanDerWaalsContact OG-CG2 3.32Å; S157-V160 WeakPolarHBondContact OG-CG2 3.49Å; G158-V160 PolarHBondContact O-N 2.86Å; V160-I193 WeakPolarHBondContact CA-O 3.43Å; V160-I193 HydrophobicContact CG2-CG2 4.09Å; V160-I195 HydrophobicContact CG1-CB 3.83Å; V160-I195 HydrophobicContact CG1-CG1 4.04Å; V160-L198 HydrophobicContact CB-CD2 4.47Å; V160-L198 HydrophobicContact CG1-CD2 4.15Å; V160-L198 HydrophobicContact CG2-CD2 3.45Å; V160-L198 VanDerWaalsContact CG2-CD2 3.45Å
161L96Very high91.8Very high0 Ų033.7 Ų33.70%021%0.212CC..EExtended strand (participates in β ladder)trans-101.2127.1-179.8-53.8-173.7000109.3V159 I168 F190 W192 I193 H194 I195 F229 L285 L289 I292V159-L161 HydrophobicContact CG1-CD2 3.86Å; V159-L161 PolarHBondContact O-N 3.25Å; L161-I168 HydrophobicContact CB-CD1 3.69Å; L161-I168 HydrophobicContact CD1-CD1 4.44Å; L161-I168 HydrophobicContact CD2-CD1 3.84Å; L161-I168 HydrophobicContact CD2-CG1 3.91Å; L161-I168 HydrophobicContact CG-CD1 4.18Å; L161-F190 HydrophobicContact CD1-CE1 4.38Å; L161-F190 HydrophobicContact CD2-CE1 4.29Å; L161-F190 HydrophobicContact CD2-CZ 4.29Å; L161-W192 HydrophobicContact CD1-CB 3.93Å; L161-W192 HydrophobicContact CD1-CD2 4.07Å; L161-W192 HydrophobicContact CD1-CE3 3.73Å; L161-W192 HydrophobicContact CD1-CG 4.16Å; L161-W192 HydrophobicContact CG-CB 4.22Å; L161-W192 HydrophobicContact CG-CE3 4.44Å; L161-I193 PolarHBondContact N-O 3.37Å; L161-H194 CarbonylContact O-C 3.15Å; L161-I195 PolarHBondContact O-N 2.89Å; L161-F229 HydrophobicContact CD1-CD2 4.44Å; L161-F229 HydrophobicContact CD1-CE2 4.06Å; L161-F229 HydrophobicContact CD2-CE2 4.17Å; L161-L285 HydrophobicContact CD1-CD1 4.04Å; L161-L289 HydrophobicContact CD1-CD2 4.21Å; L161-I292 HydrophobicContact CB-CD1 3.61Å
162G94.3Very high91.3Very high1 Ų134 Ų341%0.0122%0.216CC..  trans-173.8161.6-178.600000112.4
163R89.3Confident90.9Very high165 Ų16537.1 Ų37.162%0.62323%0.234SC*.THydrogen-bonded Turntrans-71.9143178.8-155174.7-172.1173.310.5111.1G165 A294R163-G165 PolarHBondContact O-N 3.39Å; R163-A294 PolarHBondContact NH1-OXT 2.84Å; R163-A294 PolarHBondContact NH2-O 3.47Å; R163-A294 PolarHBondContact NH2-OXT 2.89Å
164G78.4Confident90.5Very high87 Ų8739.5 Ų39.590%0.89725%0.25SC*.THydrogen-bonded Turntrans77.813.4171.200000116.2
165G83.1Confident90.3Very high19 Ų1939.1 Ų39.120%0.19625%0.246CC..SBendtrans176.6-155.8175.200000114.2F11 R163 G169F11-G165 VanDerWaalsContact CE2-CA 3.49Å; R163-G165 PolarHBondContact O-N 3.39Å; G165-G169 PolarHBondContact O-N 2.95Å; G165-G169 VanDerWaalsContact O-N 3.14Å
166G82.3Confident90Very high34 Ų3445 Ų4535%0.35127%0.268SS..Hα-helixtrans62.4-155.8177.500000114.1
167A82.9Confident89.8Confident19 Ų1949.8 Ų49.816%0.15729%0.294CS..Hα-helixtrans-67-39179.300000112.1V159 G169 Q170 M171V159-A167 HydrophobicContact CG1-CB 3.55Å; A167-G169 VanDerWaalsContact C-N 3.31Å; A167-G169 PolarHBondContact O-N 2.83Å; A167-Q170 PolarHBondContact O-N 3.13Å; A167-M171 HydrophobicContact CB-CE 4.36Å
168I85.2Confident89.5Confident4 Ų449.9 Ų49.92%0.02130%0.296CS..Hα-helixtrans-62.4-36.8-178.4-77.6176.8000112.1L161 Q170 M171 L172 L289 I292L161-I168 HydrophobicContact CB-CD1 3.69Å; L161-I168 HydrophobicContact CD1-CD1 4.44Å; L161-I168 HydrophobicContact CD2-CD1 3.84Å; L161-I168 HydrophobicContact CD2-CG1 3.91Å; L161-I168 HydrophobicContact CG-CD1 4.18Å; I168-Q170 PolarHBondContact O-N 2.94Å; I168-Q170 VanDerWaalsContact O-N 3.13Å; I168-M171 PolarHBondContact O-N 2.91Å; I168-L172 HydrophobicContact CG2-CD1 4.41Å; I168-L172 WeakPolarHBondContact O-CB 3.43Å; I168-L172 PolarHBondContact O-N 2.82Å; I168-L289 HydrophobicContact CD1-CD2 3.9Å; I168-I292 HydrophobicContact CD1-CD1 3.73Å; I168-I292 HydrophobicContact CD1-CG2 3.87Å; I168-I292 HydrophobicContact CG2-CG2 4Å
169G85.6Confident89.3Confident48 Ų4854.3 Ų54.350%0.49532%0.318SS..Hα-helixtrans-55.8-32178.200000113.7G165 A167G165-G169 PolarHBondContact O-N 2.95Å; G165-G169 VanDerWaalsContact O-N 3.14Å; A167-G169 VanDerWaalsContact C-N 3.31Å; A167-G169 PolarHBondContact O-N 2.83Å
170Q82.9Confident89.2Confident88 Ų8852.3 Ų52.341%0.41131%0.306SS..Hα-helixtrans-81.6-22.9177-59.9-175.51.300113.1L64 A167 I168L64-Q170 PolarHBondContact O-NE2 3.1Å; A167-Q170 PolarHBondContact O-N 3.13Å; I168-Q170 PolarHBondContact O-N 2.94Å; I168-Q170 VanDerWaalsContact O-N 3.13Å
171M87.4Confident89.1Confident41 Ų4151.8 Ų51.820%0.20230%0.304CS..Hα-helixtrans-95.8-23.6-175.8-61173.7-17700112.8A167 I168 L173 P174 F175 F229A167-M171 HydrophobicContact CB-CE 4.36Å; I168-M171 PolarHBondContact O-N 2.91Å; M171-L173 PolarHBondContact O-N 2.7Å; M171-P174 WeakPolarHBondContact O-CD 3.22Å; M171-F175 HydrophobicContact CB-CD2 4.19Å; M171-F175 HydrophobicContact CB-CE2 4.33Å; M171-F175 VanDerWaalsContact O-CD2 3.25Å; M171-F175 WeakPolarHBondContact O-CD2 3.3Å; M171-F175 PolarHBondContact O-N 3.18Å; M171-F229 HydrophobicContact SD-CE1 3.83Å; M171-F229 HydrophobicContact SD-CZ 3.95Å
172L87.5Confident89.1Confident38 Ų3853 Ų5320%0.19931%0.312CS..Hα-helixtrans-63.3-40.5-166.6-167.167.5000113.6I168 R176 L237 V293I168-L172 HydrophobicContact CG2-CD1 4.41Å; I168-L172 WeakPolarHBondContact O-CB 3.43Å; I168-L172 PolarHBondContact O-N 2.82Å; L172-R176 HydrophobicContact CG-CG 4.39Å; L172-R176 VanDerWaalsContact O-CB 3.32Å; L172-R176 WeakPolarHBondContact O-CB 3.42Å; L172-R176 VanDerWaalsContact O-CG 3.27Å; L172-R176 WeakPolarHBondContact O-CG 3.18Å; L172-R176 PolarHBondContact O-N 3.15Å; L172-L237 HydrophobicContact CD1-CD1 4.14Å; L172-L237 HydrophobicContact CD1-CD2 4.03Å; L172-V293 HydrophobicContact CD1-CG1 4.15Å
173L90.1Very high89.2Confident121 Ų12154 Ų5463%0.63432%0.317SS*.Hα-helixtrans-66.2-53.5-178.9175.166.5000112M171 F175 R176 L177M171-L173 PolarHBondContact O-N 2.7Å; L173-F175 VanDerWaalsContact C-N 3.3Å; L173-F175 PolarHBondContact O-N 3.04Å; L173-R176 PolarHBondContact O-N 3.21Å; L173-L177 HydrophobicContact CD1-CD1 4.03Å; L173-L177 HydrophobicContact CD1-CG 4.28Å; L173-L177 HydrophobicContact CG-CD1 4.21Å; L173-L177 WeakPolarHBondContact O-CG 3.44Å; L173-L177 PolarHBondContact O-N 3.48Å; L173-L177 VanDerWaalsContact O-N 3.14Å
174P91.4Very high89.5Confident53 Ų5347 Ų4734%0.34430%0.296SS..Hα-helixtrans-52.7-45.1173.1-27.832.7000113.4M171 L177 G178 L179M171-P174 WeakPolarHBondContact O-CD 3.22Å; P174-L177 PolarHBondContact O-N 3.04Å; P174-G178 PolarHBondContact O-N 2.87Å; P174-L179 WeakPolarHBondContact O-CA 3.39Å; P174-L179 WeakPolarHBondContact O-CB 3.28Å; P174-L179 PolarHBondContact O-N 2.9Å
175F93.9Very high90.3Very high13 Ų1346.5 Ų46.56%0.05728%0.279CS..Hα-helixtrans-66.5-39.3179.6-86.8-102.6000112.9M171 L173 L177 G178 A230 L233 L237 R239 A241M171-F175 HydrophobicContact CB-CD2 4.19Å; M171-F175 HydrophobicContact CB-CE2 4.33Å; M171-F175 VanDerWaalsContact O-CD2 3.25Å; M171-F175 WeakPolarHBondContact O-CD2 3.3Å; M171-F175 PolarHBondContact O-N 3.18Å; L173-F175 VanDerWaalsContact C-N 3.3Å; L173-F175 PolarHBondContact O-N 3.04Å; F175-L177 PolarHBondContact O-N 2.89Å; F175-G178 PolarHBondContact O-N 3.46Å; F175-A230 HydrophobicContact CE1-CB 4.28Å; F175-A230 WeakPolarHBondContact CE1-O 3.41Å; F175-A230 HydrophobicContact CZ-CB 4.11Å; F175-L233 HydrophobicContact CB-CD2 4.34Å; F175-L233 HydrophobicContact CB-CG 4.45Å; F175-L233 HydrophobicContact CD1-CB 4.07Å; F175-L233 HydrophobicContact CD1-CD2 3.61Å; F175-L233 HydrophobicContact CD1-CG 3.6Å; F175-L233 HydrophobicContact CD2-CD2 3.93Å; F175-L233 HydrophobicContact CE1-CB 3.99Å; F175-L233 HydrophobicContact CE1-CD2 3.77Å; F175-L233 HydrophobicContact CE1-CG 3.96Å; F175-L233 HydrophobicContact CE2-CD2 4.07Å; F175-L233 HydrophobicContact CG-CD2 3.69Å; F175-L233 HydrophobicContact CG-CG 4.03Å; F175-L233 HydrophobicContact CZ-CD2 3.99Å; F175-L237 HydrophobicContact CB-CD1 3.62Å; F175-R239 WeakPolarHBondContact O-CB 3.45Å; F175-A241 HydrophobicContact CD1-CB 4.15Å; F175-A241 HydrophobicContact CE1-CB 3.77Å
176R92.7Very high91Very high123 Ų12345.6 Ų45.646%0.46427%0.269SS..Hα-helixtrans-63.2-28.6175-81.4179.7172-174.6-3.1113.2L172 L173 G178 L237 R239L172-R176 HydrophobicContact CG-CG 4.39Å; L172-R176 VanDerWaalsContact O-CB 3.32Å; L172-R176 WeakPolarHBondContact O-CB 3.42Å; L172-R176 VanDerWaalsContact O-CG 3.27Å; L172-R176 WeakPolarHBondContact O-CG 3.18Å; L172-R176 PolarHBondContact O-N 3.15Å; L173-R176 PolarHBondContact O-N 3.21Å; R176-G178 VanDerWaalsContact C-N 3.29Å; R176-L237 HydrophobicContact CG-CD1 4.29Å; R176-L237 HydrophobicContact CG-CD2 3.95Å; R176-R239 PolarHBondContact O-NE 3.04Å
177L94.1Very high91.6Very high111 Ų11151 Ų5158%0.58129%0.285SS*.THydrogen-bonded Turntrans-84.2-0.8175.7-64173.8000113L173 P174 F175 L179L173-L177 HydrophobicContact CD1-CD1 4.03Å; L173-L177 HydrophobicContact CD1-CG 4.28Å; L173-L177 HydrophobicContact CG-CD1 4.21Å; L173-L177 WeakPolarHBondContact O-CG 3.44Å; L173-L177 PolarHBondContact O-N 3.48Å; L173-L177 VanDerWaalsContact O-N 3.14Å; P174-L177 PolarHBondContact O-N 3.04Å; F175-L177 PolarHBondContact O-N 2.89Å; L177-L179 VanDerWaalsContact C-N 3.27Å; L177-L179 HydrophobicContact CB-CD1 4.19Å; L177-L179 HydrophobicContact CB-CG 4.14Å; L177-L179 PolarHBondContact O-N 3.32Å
178G93Very high92.3Very high11 Ų1151 Ų5111%0.11328%0.282CS..THydrogen-bonded Turntrans73.917.1-175.400000113.9P174 F175 R176P174-G178 PolarHBondContact O-N 2.87Å; F175-G178 PolarHBondContact O-N 3.46Å; R176-G178 VanDerWaalsContact C-N 3.29Å
179L93.3Very high93Very high103 Ų10352.3 Ų52.354%0.53929%0.288SS..  trans-99.211.9178.7-57.5176.3000112.7P174 L177 I243P174-L179 WeakPolarHBondContact O-CA 3.39Å; P174-L179 WeakPolarHBondContact O-CB 3.28Å; P174-L179 PolarHBondContact O-N 2.9Å; L177-L179 VanDerWaalsContact C-N 3.27Å; L177-L179 HydrophobicContact CB-CD1 4.19Å; L177-L179 HydrophobicContact CB-CG 4.14Å; L177-L179 PolarHBondContact O-N 3.32Å; L179-I243 HydrophobicContact CD2-CD1 4.01Å
180G93.3Very high93.5Very high3 Ų351 Ų513%0.03127%0.268CS..  trans-82.9165.2179.300000112.9A241 F242 I243G180-A241 CarbonylContact O-C 3.38Å; G180-A241 VanDerWaalsContact O-CA 3.23Å; G180-A241 WeakPolarHBondContact O-CA 3.39Å; G180-F242 PolarHBondContact O-N 3.25Å; G180-I243 PolarHBondContact O-N 3.1Å
181G95.1Very high94.2Very high6 Ų647.5 Ų47.56%0.06225%0.253CS..  trans167.8-174.2172.600000112.8A241 I243G181-A241 WeakPolarHBondContact CA-O 3.17Å; G181-I243 WeakPolarHBondContact CA-O 3.42Å; G181-I243 PolarHBondContact N-O 2.91Å
182P96.3Very high94.7Very high26 Ų2645.7 Ų45.717%0.16924%0.244CC..  trans-65.7151-177.626.1-33000111.9N226 A227 P244 V245P182-N226 WeakPolarHBondContact CA-OD1 3.39Å; P182-A227 HydrophobicContact CB-CB 4.42Å; P182-P244 HydrophobicContact CG-CB 4.2Å; P182-P244 CarbonylContact O-C 3.54Å; P182-P244 WeakPolarHBondContact O-CA 3.03Å; P182-V245 PolarHBondContact O-N 3.41Å
183I95.8Very high95.2Very high22 Ų2243.9 Ų43.911%0.11324%0.235CC..BIsolated β-bridgetrans-95.6125174.9-56176.8000108.1S185 G186 Q188 N226 V250 L262 L263I183-S185 PolarHBondContact O-N 2.83Å; I183-G186 PolarHBondContact O-N 3.33Å; I183-Q188 PolarHBondContact O-NE2 2.79Å; I183-N226 PolarHBondContact N-OD1 3.23Å; I183-V250 HydrophobicContact CG2-CG2 3.65Å; I183-L262 HydrophobicContact CD1-CD2 4.28Å; I183-L262 HydrophobicContact CG2-CB 4.29Å; I183-L263 HydrophobicContact CG2-CD2 3.72Å
184G95.6Very high95.6Very high17 Ų1738.5 Ų38.518%0.17521%0.206CC..THydrogen-bonded Turntrans62.1-126.6-177.400000111.1G186 V245G184-G186 VanDerWaalsContact C-N 3.34Å; G184-V245 PolarHBondContact N-O 2.9Å
185S95.5Very high95.9Very high77 Ų7736.9 Ų36.954%0.53819%0.194SC..THydrogen-bonded Turntrans-75-23.917982.70000113.4I183 H187I183-S185 PolarHBondContact O-N 2.83Å; S185-H187 WeakPolarHBondContact CB-ND1 3.31Å; S185-H187 PolarHBondContact O-CE1 3.32Å; S185-H187 PolarHBondContact O-N 2.98Å; S185-H187 PolarHBondContact O-ND1 3.4Å; S185-H187 PolarHBondContact OG-N 3.46Å; S185-H187 PolarHBondContact OG-ND1 2.92Å
186G96.2Very high96.1Very high0 Ų037.6 Ų37.60%021%0.205CC..SBendtrans78.1-12.7-173.500000115.2I183 G184 Q188 N226 A227I183-G186 PolarHBondContact O-N 3.33Å; G184-G186 VanDerWaalsContact C-N 3.34Å; G186-Q188 VanDerWaalsContact C-N 3.32Å; G186-Q188 VanDerWaalsContact N-OE1 3.16Å; G186-Q188 PolarHBondContact O-N 3.46Å; G186-N226 PolarHBondContact O-N 2.76Å; G186-A227 WeakPolarHBondContact O-CB 3.49Å; G186-A227 PolarHBondContact O-N 3.06Å
187H96.9Very high96.3Very high147 Ų14731.7 Ų31.768%0.68118%0.183SC*.  trans-77.8-16.3-176.7-58.298000113.9S185S185-H187 WeakPolarHBondContact CB-ND1 3.31Å; S185-H187 PolarHBondContact O-CE1 3.32Å; S185-H187 PolarHBondContact O-N 2.98Å; S185-H187 PolarHBondContact O-ND1 3.4Å; S185-H187 PolarHBondContact OG-N 3.46Å; S185-H187 PolarHBondContact OG-ND1 2.92Å
188Q97.6Very high96.5Very high20 Ų2026.4 Ų26.49%0.09316%0.155CC..SBendtrans-62.6139.6179.468.9-81.41600110.7I183 G186 T225 N226 L262 L263I183-Q188 PolarHBondContact O-NE2 2.79Å; G186-Q188 VanDerWaalsContact C-N 3.32Å; G186-Q188 VanDerWaalsContact N-OE1 3.16Å; G186-Q188 PolarHBondContact O-N 3.46Å; Q188-T225 CarbonylContact O-C 3.49Å; Q188-T225 WeakPolarHBondContact O-CA 3.41Å; Q188-N226 HydrophobicContact CG-CB 4.1Å; Q188-N226 PolarHBondContact O-N 3.11Å; Q188-L262 PolarHBondContact NE2-O 3.4Å; Q188-L263 WeakPolarHBondContact CG-O 3.4Å
189F98.3Very high96.8Very high31 Ų3126 Ų2614%0.13615%0.151CC..BIsolated β-bridgetrans-58.9145.3173.6-65.6-65.4000110.8S115 P116 P191 T224 G265 Q266 K267S115-F189 WeakPolarHBondContact O-CD2 3.4Å; S115-F189 WeakPolarHBondContact O-CE2 3.22Å; P116-F189 WeakPolarHBondContact O-CE2 3.32Å; F189-P191 WeakPolarHBondContact O-CD 3.36Å; F189-T224 CarbonylContact C-O 3.58Å; F189-T224 WeakPolarHBondContact CA-O 3.28Å; F189-G265 WeakPolarHBondContact O-CA 3.34Å; F189-Q266 WeakPolarHBondContact CB-O 3.36Å; F189-K267 HydrophobicContact CD1-CB 4.08Å; F189-K267 HydrophobicContact CD1-CG 4.38Å; F189-K267 HydrophobicContact CD2-CB 3.66Å; F189-K267 HydrophobicContact CE1-CB 4.11Å; F189-K267 HydrophobicContact CE1-CD 4.28Å; F189-K267 HydrophobicContact CE1-CG 4.2Å; F189-K267 HydrophobicContact CE2-CB 3.67Å; F189-K267 HydrophobicContact CG-CB 3.86Å; F189-K267 HydrophobicContact CZ-CB 3.91Å; F189-K267 HydrophobicContact CZ-CD 4.07Å; F189-K267 HydrophobicContact CZ-CG 4.27Å
190F97.6Very high97Very high21 Ų2121.6 Ų21.69%0.09213%0.13CC..  trans-121.682.1-178.9-173.3-105.2000108.3V159 L161 W192 T224 F229V159-F190 HydrophobicContact CB-CE2 4.34Å; V159-F190 HydrophobicContact CB-CZ 3.98Å; V159-F190 HydrophobicContact CG1-CE2 4.42Å; V159-F190 HydrophobicContact CG1-CZ 3.92Å; V159-F190 HydrophobicContact CG2-CE2 3.98Å; V159-F190 HydrophobicContact CG2-CZ 4.15Å; L161-F190 HydrophobicContact CD1-CE1 4.38Å; L161-F190 HydrophobicContact CD2-CE1 4.29Å; L161-F190 HydrophobicContact CD2-CZ 4.29Å; F190-W192 HydrophobicContact CD1-CB 3.77Å; F190-W192 AromaticContact CD1-CD1 3.96Å; F190-W192 HydrophobicContact CD1-CG 4.16Å; F190-W192 HydrophobicContact CE1-CB 3.65Å; F190-W192 HydrophobicContact CE1-CG 4.31Å; F190-W192 PolarHBondContact O-N 3.24Å; F190-W192 VanDerWaalsContact O-N 3.11Å; F190-T224 HydrophobicContact CB-CG2 4.49Å; F190-T224 PolarHBondContact N-O 3.31Å; F190-F229 HydrophobicContact CD1-CB 3.85Å; F190-F229 AromaticContact CD1-CD2 3.91Å; F190-F229 HydrophobicContact CD1-CD2 3.91Å; F190-F229 AromaticContact CD1-CG 3.87Å; F190-F229 HydrophobicContact CD1-CG 3.87Å; F190-F229 HydrophobicContact CE1-CB 4.16Å; F190-F229 HydrophobicContact CE1-CD1 4.23Å; F190-F229 AromaticContact CE1-CD2 3.37Å; F190-F229 HydrophobicContact CE1-CD2 3.37Å; F190-F229 AromaticContact CE1-CE2 3.75Å; F190-F229 HydrophobicContact CE1-CE2 3.75Å; F190-F229 AromaticContact CE1-CG 3.64Å; F190-F229 HydrophobicContact CE1-CG 3.64Å; F190-F229 HydrophobicContact CE1-CZ 4.34Å; F190-F229 HydrophobicContact CG-CB 4.27Å; F190-F229 HydrophobicContact CG-CG 4.45Å; F190-F229 HydrophobicContact CZ-CD1 4.17Å; F190-F229 AromaticContact CZ-CD2 3.96Å; F190-F229 HydrophobicContact CZ-CD2 3.96Å; F190-F229 HydrophobicContact CZ-CE1 4.22Å; F190-F229 AromaticContact CZ-CE2 4Å; F190-F229 HydrophobicContact CZ-CE2 4Å; F190-F229 HydrophobicContact CZ-CG 4.04Å; F190-F229 HydrophobicContact CZ-CZ 4.13Å
191P97.4Very high97.3Very high14 Ų1421.6 Ų21.69%0.09113%0.129CC..  trans-66.1114.3176.826.4-32.9000109V109 G158 V159 F189 V218 V268V109-P191 HydrophobicContact CG2-CB 4.14Å; V109-P191 HydrophobicContact CG2-CG 3.7Å; G158-P191 CarbonylContact C-O 3.59Å; G158-P191 WeakPolarHBondContact CA-O 3.38Å; V159-P191 PolarHBondContact N-O 3.02Å; F189-P191 WeakPolarHBondContact O-CD 3.36Å; P191-V218 HydrophobicContact CB-CG1 4.02Å; P191-V268 HydrophobicContact CB-CB 4.48Å; P191-V268 HydrophobicContact CB-CG2 4.3Å
192W97.6Very high97.5Very high3 Ų321.3 Ų21.31%0.01113%0.126CC..EExtended strand (participates in β ladder)trans-130.1161.4-173.668.4-91.6000111.3V159 L161 F190 V218 A219 A221 T224 F282 L285 A288V159-W192 CarbonylContact O-C 3.21Å; V159-W192 VanDerWaalsContact O-CA 3.31Å; V159-W192 WeakPolarHBondContact O-CA 3.25Å; L161-W192 HydrophobicContact CD1-CB 3.93Å; L161-W192 HydrophobicContact CD1-CD2 4.07Å; L161-W192 HydrophobicContact CD1-CE3 3.73Å; L161-W192 HydrophobicContact CD1-CG 4.16Å; L161-W192 HydrophobicContact CG-CB 4.22Å; L161-W192 HydrophobicContact CG-CE3 4.44Å; F190-W192 HydrophobicContact CD1-CB 3.77Å; F190-W192 AromaticContact CD1-CD1 3.96Å; F190-W192 HydrophobicContact CD1-CG 4.16Å; F190-W192 HydrophobicContact CE1-CB 3.65Å; F190-W192 HydrophobicContact CE1-CG 4.31Å; F190-W192 PolarHBondContact O-N 3.24Å; F190-W192 VanDerWaalsContact O-N 3.11Å; W192-V218 CarbonylContact O-C 3.56Å; W192-V218 WeakPolarHBondContact O-CA 3.41Å; W192-A219 HydrophobicContact CD2-CB 4.06Å; W192-A219 HydrophobicContact CE3-CB 4.07Å; W192-A219 HydrophobicContact CH2-CB 3.6Å; W192-A219 HydrophobicContact CZ2-CB 3.59Å; W192-A219 HydrophobicContact CZ3-CB 3.86Å; W192-A219 PolarHBondContact O-N 2.96Å; W192-A221 HydrophobicContact CZ2-CB 4.08Å; W192-T224 PolarHBondContact NE1-OG1 3.01Å; W192-T224 VanDerWaalsContact NE1-OG1 3.1Å; W192-F282 WeakPolarHBondContact CH2-O 3.15Å; W192-L285 HydrophobicContact CD2-CD1 3.79Å; W192-L285 HydrophobicContact CE3-CD1 4.18Å; W192-L285 HydrophobicContact CG-CD1 4.26Å; W192-L285 HydrophobicContact CH2-CB 4.21Å; W192-L285 HydrophobicContact CH2-CD1 4.33Å; W192-L285 HydrophobicContact CZ2-CB 3.55Å; W192-L285 HydrophobicContact CZ2-CD1 3.93Å; W192-L285 HydrophobicContact CZ2-CG 4.34Å; W192-L285 VanDerWaalsContact CZ2-N 3.34Å; W192-L285 HydrophobicContact CZ3-CD1 4.43Å; W192-A288 HydrophobicContact CH2-CB 3.87Å; W192-A288 HydrophobicContact CZ3-CB 3.55Å
193I98.2Very high97.6Very high0 Ų020.3 Ų20.30%012%0.12CC..EExtended strand (participates in β ladder)trans-149143.7169.9-168.2163.3000110.4V159 V160 L161 D197 L198 I201 G217 Y280V159-I193 PolarHBondContact O-N 3.15Å; V160-I193 WeakPolarHBondContact CA-O 3.43Å; V160-I193 HydrophobicContact CG2-CG2 4.09Å; L161-I193 PolarHBondContact N-O 3.37Å; I193-D197 HydrophobicContact CD1-CB 4.11Å; I193-D197 HydrophobicContact CG1-CB 3.91Å; I193-L198 HydrophobicContact CD1-CB 4.08Å; I193-L198 HydrophobicContact CG1-CB 4.38Å; I193-L198 HydrophobicContact CG2-CB 4.02Å; I193-I201 HydrophobicContact CD1-CD1 3.48Å; I193-I201 VanDerWaalsContact CD1-CD1 3.48Å; I193-G217 WeakPolarHBondContact CB-O 3.21Å; I193-G217 WeakPolarHBondContact CG2-O 3.37Å; I193-Y280 HydrophobicContact CD1-CE1 4.18Å
194H97.9Very high97.7Very high7 Ų721.1 Ų21.13%0.03212%0.123CC..EExtended strand (participates in β ladder)trans-68.1140.5169.7-168.8-101.2000110.5L161 G196 D197 L198 F282 A288 D291L161-H194 CarbonylContact O-C 3.15Å; H194-G196 PolarHBondContact ND1-N 3.32Å; H194-G196 VanDerWaalsContact ND1-N 3.12Å; H194-G196 PolarHBondContact O-N 3.27Å; H194-D197 HydrophobicContact CB-CB 4.42Å; H194-D197 PolarHBondContact O-N 3.31Å; H194-L198 PolarHBondContact O-N 3.31Å; H194-F282 HydrophobicContact CB-CB 3.77Å; H194-F282 HydrophobicContact CB-CD2 3.96Å; H194-F282 HydrophobicContact CB-CG 4.11Å; H194-F282 AromaticContact CE1-CD2 3.71Å; H194-F282 AromaticContact CE1-CE2 3.47Å; H194-F282 VanDerWaalsContact CE1-CE2 3.47Å; H194-F282 WeakPolarHBondContact CE1-CE2 3.45Å; H194-F282 AromaticContact CG-CD2 3.49Å; H194-F282 VanDerWaalsContact CG-CD2 3.49Å; H194-F282 AromaticContact CG-CG 3.84Å; H194-F282 AromaticContact ND1-CD2 3.17Å; H194-F282 WeakPolarHBondContact ND1-CD2 3.29Å; H194-F282 AromaticContact ND1-CE2 3.37Å; H194-F282 WeakPolarHBondContact ND1-CE2 3.3Å; H194-F282 AromaticContact ND1-CG 3.98Å; H194-A288 HydrophobicContact CB-CB 4.38Å; H194-D291 IonicContact CE1-OD2 2.89Å; H194-D291 PolarHBondContact CE1-OD2 2.95Å; H194-D291 IonicContact NE2-OD2 3.2Å; H194-D291 PolarHBondContact NE2-OD2 3.23Å
195I97.6Very high97.8Very high20 Ų2020.3 Ų20.310%0.10312%0.115CC..Hα-helixtrans-58.8-35.3-178.8-172.1165000112.4F11 A15 V160 L161 D197 A199F11-I195 HydrophobicContact CD1-CD1 3.95Å; F11-I195 HydrophobicContact CD2-CD1 3.87Å; F11-I195 HydrophobicContact CE1-CD1 3.68Å; F11-I195 HydrophobicContact CE2-CD1 3.57Å; F11-I195 HydrophobicContact CG-CD1 4.06Å; F11-I195 HydrophobicContact CZ-CB 4.48Å; F11-I195 HydrophobicContact CZ-CD1 3.5Å; F11-I195 VanDerWaalsContact CZ-CD1 3.5Å; A15-I195 HydrophobicContact CB-CD1 3.47Å; A15-I195 VanDerWaalsContact CB-CD1 3.47Å; A15-I195 HydrophobicContact CB-CG1 3.58Å; V160-I195 HydrophobicContact CG1-CB 3.83Å; V160-I195 HydrophobicContact CG1-CG1 4.04Å; L161-I195 PolarHBondContact O-N 2.89Å; I195-D197 VanDerWaalsContact C-N 3.32Å; I195-A199 WeakPolarHBondContact O-CB 3.31Å; I195-A199 PolarHBondContact O-N 3.02Å
196G97.3Very high97.8Very high27 Ų2716.7 Ų16.728%0.2789%0.089SC..Hα-helixtrans-62.8-39174.500000112.2H194 G200H194-G196 PolarHBondContact ND1-N 3.32Å; H194-G196 VanDerWaalsContact ND1-N 3.12Å; H194-G196 PolarHBondContact O-N 3.27Å; G196-G200 PolarHBondContact O-N 3.5Å
197D98.4Very high97.8Very high0 Ų019.5 Ų19.50%010%0.102CC..Hα-helixtrans-75.5-38.8178.9-72.8-39.4000112.3I193 H194 I195 A199 G200 I201 Y278 Y280 S281 F282I193-D197 HydrophobicContact CD1-CB 4.11Å; I193-D197 HydrophobicContact CG1-CB 3.91Å; H194-D197 HydrophobicContact CB-CB 4.42Å; H194-D197 PolarHBondContact O-N 3.31Å; I195-D197 VanDerWaalsContact C-N 3.32Å; D197-A199 VanDerWaalsContact C-N 3.33Å; D197-A199 PolarHBondContact O-N 3.1Å; D197-G200 CarbonylContact O-C 3.53Å; D197-G200 PolarHBondContact O-N 3.25Å; D197-G200 VanDerWaalsContact O-N 3.15Å; D197-I201 VanDerWaalsContact O-CG1 3.32Å; D197-I201 WeakPolarHBondContact O-CG1 3.39Å; D197-I201 PolarHBondContact O-N 3.46Å; D197-Y278 VanDerWaalsContact CA-OH 3.27Å; D197-Y278 WeakPolarHBondContact CA-OH 3.34Å; D197-Y278 PolarHBondContact O-OH 2.88Å; D197-Y278 PolarHBondContact OD1-OH 2.93Å; D197-Y278 VanDerWaalsContact OD1-OH 3.12Å; D197-Y280 HydrophobicContact CB-CD1 3.92Å; D197-Y280 HydrophobicContact CB-CE1 4.4Å; D197-S281 WeakPolarHBondContact OD1-CB 3.49Å; D197-S281 PolarHBondContact OD1-N 2.89Å; D197-F282 WeakPolarHBondContact OD2-CA 3.31Å; D197-F282 WeakPolarHBondContact OD2-CB 3.35Å; D197-F282 PolarHBondContact OD2-N 3.06Å
198L98.6Very high97.9Very high0 Ų013.2 Ų13.20%08%0.075CC..Hα-helixtrans-61.3-44.8172.7-178.962.3000111.1I12 V155 V160 I193 H194 G200 I201 L202I12-L198 HydrophobicContact CD1-CD2 3.8Å; I12-L198 HydrophobicContact CG1-CD2 4.06Å; I12-L198 HydrophobicContact CG2-CD2 3.89Å; I12-L198 HydrophobicContact CG2-CG 4.43Å; V155-L198 HydrophobicContact CG1-CD1 3.91Å; V160-L198 HydrophobicContact CB-CD2 4.47Å; V160-L198 HydrophobicContact CG1-CD2 4.15Å; V160-L198 HydrophobicContact CG2-CD2 3.45Å; V160-L198 VanDerWaalsContact CG2-CD2 3.45Å; I193-L198 HydrophobicContact CD1-CB 4.08Å; I193-L198 HydrophobicContact CG1-CB 4.38Å; I193-L198 HydrophobicContact CG2-CB 4.02Å; H194-L198 PolarHBondContact O-N 3.31Å; L198-G200 VanDerWaalsContact C-N 3.29Å; L198-G200 PolarHBondContact O-N 3.31Å; L198-I201 PolarHBondContact O-N 3.22Å; L198-L202 HydrophobicContact CG-CD1 4.43Å; L198-L202 VanDerWaalsContact O-CG 3.29Å; L198-L202 WeakPolarHBondContact O-CG 3.48Å; L198-L202 PolarHBondContact O-N 2.88Å; L198-L202 VanDerWaalsContact O-N 3.09Å
199A98.2Very high97.8Very high2 Ų217.4 Ų17.42%0.01710%0.098CC..Hα-helixtrans-60.8-40.617400000111.4L16 L19 I195 D197 L202 I203L16-A199 HydrophobicContact CB-CB 4.5Å; L16-A199 HydrophobicContact CD1-CB 4.5Å; L19-A199 HydrophobicContact CD2-CB 4.04Å; I195-A199 WeakPolarHBondContact O-CB 3.31Å; I195-A199 PolarHBondContact O-N 3.02Å; D197-A199 VanDerWaalsContact C-N 3.33Å; D197-A199 PolarHBondContact O-N 3.1Å; A199-L202 PolarHBondContact O-N 3.34Å; A199-I203 WeakPolarHBondContact O-CG1 3.25Å; A199-I203 PolarHBondContact O-N 3.33Å
200G98.5Very high97.7Very high11 Ų1121.8 Ų21.811%0.11312%0.119CC..Hα-helixtrans-62.1-44.4175.800000113.3G196 D197 L198 L202 I203 H204G196-G200 PolarHBondContact O-N 3.5Å; D197-G200 CarbonylContact O-C 3.53Å; D197-G200 PolarHBondContact O-N 3.25Å; D197-G200 VanDerWaalsContact O-N 3.15Å; L198-G200 VanDerWaalsContact C-N 3.29Å; L198-G200 PolarHBondContact O-N 3.31Å; G200-L202 VanDerWaalsContact C-N 3.32Å; G200-L202 PolarHBondContact O-N 3.24Å; G200-I203 PolarHBondContact O-N 3.14Å; G200-H204 WeakPolarHBondContact O-CB 3.33Å; G200-H204 PolarHBondContact O-N 2.8Å
201I98.8Very high97.8Very high2 Ų220.9 Ų20.91%0.0112%0.115CC..Hα-helixtrans-59.7-44175.1-69.5166.3000110.4V155 I193 D197 L198 I203 H204 A205 L215 T273 Y278 Y280V155-I201 HydrophobicContact CG1-CG2 4.2Å; V155-I201 HydrophobicContact CG2-CG2 4.17Å; I193-I201 HydrophobicContact CD1-CD1 3.48Å; I193-I201 VanDerWaalsContact CD1-CD1 3.48Å; D197-I201 VanDerWaalsContact O-CG1 3.32Å; D197-I201 WeakPolarHBondContact O-CG1 3.39Å; D197-I201 PolarHBondContact O-N 3.46Å; L198-I201 PolarHBondContact O-N 3.22Å; I201-I203 VanDerWaalsContact C-N 3.34Å; I201-I203 PolarHBondContact O-N 3.33Å; I201-H204 PolarHBondContact O-N 2.9Å; I201-A205 WeakPolarHBondContact O-CB 3.38Å; I201-A205 PolarHBondContact O-N 3.17Å; I201-L215 HydrophobicContact CG2-CD1 4.19Å; I201-T273 HydrophobicContact CD1-CG2 3.73Å; I201-T273 HydrophobicContact CG1-CG2 3.9Å; I201-T273 HydrophobicContact CG2-CG2 4.28Å; I201-Y278 HydrophobicContact CD1-CD1 4.36Å; I201-Y278 HydrophobicContact CD1-CE1 4.18Å; I201-Y278 HydrophobicContact CG1-CD1 3.57Å; I201-Y278 HydrophobicContact CG1-CD2 4.37Å; I201-Y278 HydrophobicContact CG1-CE1 3.45Å; I201-Y278 VanDerWaalsContact CG1-CE1 3.45Å; I201-Y278 HydrophobicContact CG1-CE2 4.3Å; I201-Y278 HydrophobicContact CG1-CG 4.04Å; I201-Y280 HydrophobicContact CD1-CE1 4.23Å
202L98.7Very high97.8Very high0 Ų026.2 Ų26.20%014%0.139CC..Hα-helixtrans-64.7-38.9179.2-66.9172.4000112.3I12 L16 L58 I104 V106 V155 L198 A199 G200 L206I12-L202 HydrophobicContact CG2-CD1 4.27Å; L16-L202 HydrophobicContact CD1-CB 3.93Å; L16-L202 HydrophobicContact CD1-CD1 4.4Å; L16-L202 HydrophobicContact CD2-CD1 4.01Å; L58-L202 HydrophobicContact CD2-CD1 4.26Å; I104-L202 HydrophobicContact CG2-CD2 3.69Å; V106-L202 HydrophobicContact CG2-CD1 4.06Å; V106-L202 HydrophobicContact CG2-CD2 3.58Å; V106-L202 HydrophobicContact CG2-CG 4.42Å; V155-L202 HydrophobicContact CB-CD2 4.34Å; V155-L202 HydrophobicContact CG2-CD2 3.83Å; L198-L202 HydrophobicContact CG-CD1 4.43Å; L198-L202 VanDerWaalsContact O-CG 3.29Å; L198-L202 WeakPolarHBondContact O-CG 3.48Å; L198-L202 PolarHBondContact O-N 2.88Å; L198-L202 VanDerWaalsContact O-N 3.09Å; A199-L202 PolarHBondContact O-N 3.34Å; G200-L202 VanDerWaalsContact C-N 3.32Å; G200-L202 PolarHBondContact O-N 3.24Å; L202-L206 VanDerWaalsContact O-CB 3.26Å; L202-L206 WeakPolarHBondContact O-CB 3.5Å; L202-L206 PolarHBondContact O-N 2.87Å
203I98Very high97.8Very high5 Ų527.6 Ų27.63%0.02616%0.155CC..Hα-helixtrans-69-43.4174.8-70.2-176.5000111.2L16 L19 L20 A199 G200 I201 A205 L206 E207L16-I203 HydrophobicContact CD1-CD1 4.33Å; L16-I203 HydrophobicContact CD1-CG1 3.81Å; L19-I203 HydrophobicContact CB-CD1 3.67Å; L19-I203 HydrophobicContact CD2-CD1 3.47Å; L19-I203 VanDerWaalsContact CD2-CD1 3.47Å; L19-I203 HydrophobicContact CD2-CG1 4.5Å; L19-I203 HydrophobicContact CG-CD1 3.32Å; L20-I203 HydrophobicContact CD2-CD1 4Å; L20-I203 HydrophobicContact CD2-CG1 3.73Å; L20-I203 HydrophobicContact CG-CD1 4.15Å; L20-I203 HydrophobicContact CG-CG1 4.2Å; A199-I203 WeakPolarHBondContact O-CG1 3.25Å; A199-I203 PolarHBondContact O-N 3.33Å; G200-I203 PolarHBondContact O-N 3.14Å; I201-I203 VanDerWaalsContact C-N 3.34Å; I201-I203 PolarHBondContact O-N 3.33Å; I203-A205 VanDerWaalsContact C-N 3.33Å; I203-A205 PolarHBondContact O-N 3.18Å; I203-L206 CarbonylContact O-C 3.6Å; I203-L206 WeakPolarHBondContact O-CA 3.45Å; I203-L206 WeakPolarHBondContact O-CB 3.46Å; I203-L206 PolarHBondContact O-N 3.2Å; I203-E207 HydrophobicContact CG2-CG 4.06Å; I203-E207 WeakPolarHBondContact CG2-OE1 3.29Å; I203-E207 WeakPolarHBondContact O-CB 3.32Å; I203-E207 WeakPolarHBondContact O-CG 3.38Å; I203-E207 PolarHBondContact O-N 3.22Å
204H98.3Very high97.8Very high40 Ų4029 Ų2919%0.18516%0.163CC..Hα-helixtrans-58.8-46.4175.6-17666.6000111.1G200 I201 L206 E207 A208 T276 Y278G200-H204 WeakPolarHBondContact O-CB 3.33Å; G200-H204 PolarHBondContact O-N 2.8Å; I201-H204 PolarHBondContact O-N 2.9Å; H204-L206 PolarHBondContact O-N 3.48Å; H204-E207 PolarHBondContact O-N 3.09Å; H204-A208 WeakPolarHBondContact O-CB 3.47Å; H204-A208 PolarHBondContact O-N 3.09Å; H204-T276 PolarHBondContact CD2-OG1 3.47Å; H204-T276 WeakPolarHBondContact NE2-CB 3.3Å; H204-T276 PolarHBondContact NE2-O 3.37Å; H204-T276 PolarHBondContact NE2-OG1 2.96Å; H204-T276 VanDerWaalsContact NE2-OG1 3.08Å; H204-Y278 HydrophobicContact CB-CD2 3.8Å; H204-Y278 HydrophobicContact CB-CE2 4.48Å
205A98Very high97.9Very high0 Ų028.7 Ų28.70%016%0.162CC..Hα-helixtrans-61.8-29.5174.600000113I104 R151 V153 I201 I203 V211I104-A205 HydrophobicContact CD1-CB 3.9Å; R151-A205 VanDerWaalsContact CZ-O 3.25Å; R151-A205 PolarHBondContact NH1-O 3.06Å; R151-A205 PolarHBondContact NH2-O 3.5Å; V153-A205 HydrophobicContact CG1-CB 4.05Å; V153-A205 HydrophobicContact CG2-CB 4.35Å; I201-A205 WeakPolarHBondContact O-CB 3.38Å; I201-A205 PolarHBondContact O-N 3.17Å; I203-A205 VanDerWaalsContact C-N 3.33Å; I203-A205 PolarHBondContact O-N 3.18Å; A205-V211 HydrophobicContact CB-CG1 3.98Å
206L96.3Very high97.9Very high0 Ų027.8 Ų27.80%016%0.157CC..Hα-helixtrans-79-38.5177.4173.2149.3000112.8M1 V3 L20 V54 I56 R101 I104 L202 I203 H204M1-L206 HydrophobicContact CE-CD2 3.23Å; M1-L206 HydrophobicContact CE-CG 4.43Å; M1-L206 HydrophobicContact SD-CD2 3.78Å; M1-L206 HydrophobicContact SD-CG 4.5Å; V3-L206 HydrophobicContact CB-CD1 4.29Å; V3-L206 HydrophobicContact CG1-CD1 3.64Å; V3-L206 HydrophobicContact CG2-CD1 3.61Å; L20-L206 HydrophobicContact CD2-CD1 4.14Å; V54-L206 HydrophobicContact CB-CD1 3.7Å; V54-L206 HydrophobicContact CB-CG 4.03Å; V54-L206 HydrophobicContact CG1-CB 4.36Å; V54-L206 HydrophobicContact CG1-CD1 3.5Å; V54-L206 VanDerWaalsContact CG1-CD1 3.5Å; V54-L206 HydrophobicContact CG1-CG 3.85Å; V54-L206 HydrophobicContact CG2-CD1 4.12Å; V54-L206 HydrophobicContact CG2-CG 3.88Å; I56-L206 HydrophobicContact CD1-CD1 4.03Å; R101-L206 PolarHBondContact NH2-O 3.38Å; I104-L206 HydrophobicContact CD1-CB 3.9Å; L202-L206 VanDerWaalsContact O-CB 3.26Å; L202-L206 WeakPolarHBondContact O-CB 3.5Å; L202-L206 PolarHBondContact O-N 2.87Å; I203-L206 CarbonylContact O-C 3.6Å; I203-L206 WeakPolarHBondContact O-CA 3.45Å; I203-L206 WeakPolarHBondContact O-CB 3.46Å; I203-L206 PolarHBondContact O-N 3.2Å; H204-L206 PolarHBondContact O-N 3.48Å
207E96.4Very high98Very high60 Ų6026.5 Ų26.528%0.2814%0.144SC..Hα-helixtrans-84.7-41-176.1-70.9-179.2170.900112.4M1 R23 H25 I203 H204M1-E207 HydrophobicContact CE-CG 3.94Å; R23-E207 IonicContact CZ-OE1 3.92Å; R23-E207 IonicContact CZ-OE2 2.95Å; R23-E207 IonicContact NE-OE1 3.64Å; R23-E207 PolarHBondContact NE-OE1 3.09Å; R23-E207 IonicContact NE-OE2 2.64Å; R23-E207 PolarHBondContact NE-OE2 3.36Å; R23-E207 IonicContact NH2-OE1 3.6Å; R23-E207 IonicContact NH2-OE2 3.62Å; R23-E207 PolarHBondContact NH2-OE2 2.97Å; H25-E207 IonicContact CE1-OE1 2.78Å; H25-E207 IonicContact NE2-OE1 3.48Å; H25-E207 PolarHBondContact NE2-OE1 3.22Å; I203-E207 HydrophobicContact CG2-CG 4.06Å; I203-E207 WeakPolarHBondContact CG2-OE1 3.29Å; I203-E207 WeakPolarHBondContact O-CB 3.32Å; I203-E207 WeakPolarHBondContact O-CG 3.38Å; I203-E207 PolarHBondContact O-N 3.22Å; H204-E207 PolarHBondContact O-N 3.09Å
208A97.1Very high98Very high14 Ų1426.6 Ų26.612%0.11614%0.144CC..  trans-90.1112.4-172.900000112R151 H204 H210 V211R151-A208 PolarHBondContact NH2-O 3.04Å; H204-A208 WeakPolarHBondContact O-CB 3.47Å; H204-A208 PolarHBondContact O-N 3.09Å; A208-H210 VanDerWaalsContact C-N 3.28Å; A208-H210 PolarHBondContact O-N 2.97Å; A208-V211 HydrophobicContact CB-CG2 3.74Å; A208-V211 PolarHBondContact O-N 2.71Å
209N95.6Very high98Very high108 Ų10826.7 Ų26.758%0.57815%0.145SC*.THydrogen-bonded Turntrans-70.9-18.7-172.8-68.6-14.8000114.3R151 V211R151-N209 WeakPolarHBondContact CD-O 3.4Å; R151-N209 PolarHBondContact NE-O 3.18Å; N209-V211 VanDerWaalsContact C-N 3.29Å
210H97.6Very high97.8Very high124 Ų12428.8 Ų28.857%0.57416%0.159SC*.THydrogen-bonded Turntrans-79.5-9.9177.163.5-79.3000113.7A208 Q212 T276A208-H210 VanDerWaalsContact C-N 3.28Å; A208-H210 PolarHBondContact O-N 2.97Å; H210-Q212 PolarHBondContact O-N 3.43Å; H210-T276 PolarHBondContact NE2-O 2.91Å
211V98.3Very high97.2Very high1 Ų129.2 Ų29.21%0.00616%0.161CC..  trans-82.4116.1-175.11790000110.8R151 V153 A205 A208 N209 L215 T276R151-V211 WeakPolarHBondContact CD-O 3.15Å; R151-V211 PolarHBondContact NH1-O 3.38Å; V153-V211 HydrophobicContact CG1-CG1 4.44Å; V153-V211 HydrophobicContact CG2-CG1 4.2Å; V153-V211 WeakPolarHBondContact CG2-O 3.39Å; A205-V211 HydrophobicContact CB-CG1 3.98Å; A208-V211 HydrophobicContact CB-CG2 3.74Å; A208-V211 PolarHBondContact O-N 2.71Å; N209-V211 VanDerWaalsContact C-N 3.29Å; V211-L215 HydrophobicContact CG1-CD1 3.75Å; V211-T276 HydrophobicContact CG1-CG2 4.04Å; V211-T276 HydrophobicContact CG2-CG2 3.92Å
212Q97.8Very high96.1Very high126 Ų12630.2 Ų30.259%0.58917%0.168SC*.  trans-150157.2-179.762.6-179.8300112.7R151 H210 R272R151-Q212 HydrophobicContact CG-CB 4.19Å; H210-Q212 PolarHBondContact O-N 3.43Å; Q212-R272 PolarHBondContact O-NH2 2.76Å; Q212-R272 VanDerWaalsContact O-NH2 3.1Å
213G98Very high95.7Very high33 Ų3334.2 Ų34.234%0.3419%0.193SC..EExtended strand (participates in β ladder)trans82.3-149179.900000112.7Q152 V153 V154Q152-G213 PolarHBondContact O-N 2.98Å; V153-G213 CarbonylContact C-O 3.05Å; V153-G213 WeakPolarHBondContact CA-O 3.22Å; V154-G213 PolarHBondContact N-O 3.05Å
214V98.8Very high95.6Very high28 Ų2834.5 Ų34.517%0.1719%0.194CC..EExtended strand (participates in β ladder)trans-86.9139.4-176.5-178.20000110.6E122 V154 R156 R272E122-V214 HydrophobicContact CB-CB 4.23Å; E122-V214 HydrophobicContact CB-CG1 4.04Å; E122-V214 HydrophobicContact CG-CG1 4.05Å; V154-V214 CarbonylContact O-C 3.57Å; V154-V214 WeakPolarHBondContact O-CA 3.41Å; R156-V214 HydrophobicContact CG-CG1 4.21Å; V214-R272 WeakPolarHBondContact O-CD 3.35Å; V214-R272 PolarHBondContact O-NE 3.39Å
215L98.9Very high95.6Very high2 Ų233.9 Ų33.91%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-128.2136.1170.6-60.2-176.5000109.1V153 V154 V155 R156 I201 V211 R272 T273 T276V153-L215 HydrophobicContact CG1-CD1 3.89Å; V153-L215 HydrophobicContact CG1-CG 4.14Å; V154-L215 PolarHBondContact O-N 2.64Å; V155-L215 CarbonylContact C-O 3.57Å; V155-L215 VanDerWaalsContact CA-O 3.3Å; V155-L215 WeakPolarHBondContact CA-O 3.39Å; V155-L215 HydrophobicContact CG2-CB 4.36Å; V155-L215 HydrophobicContact CG2-CD1 4.47Å; R156-L215 PolarHBondContact N-O 3.23Å; I201-L215 HydrophobicContact CG2-CD1 4.19Å; V211-L215 HydrophobicContact CG1-CD1 3.75Å; L215-R272 HydrophobicContact CD2-CB 4Å; L215-T273 WeakPolarHBondContact CB-OG1 3.38Å; L215-T276 HydrophobicContact CD1-CG2 4.46Å; L215-T276 HydrophobicContact CD2-CG2 3.72Å
216N98.9Very high95.6Very high0 Ų034.1 Ų34.10%020%0.195CC..EExtended strand (participates in β ladder)trans-85.5111.7169.3-77.6-31000110.6Y112 D121 E122 V218 V268 V269 P270 T273Y112-N216 WeakPolarHBondContact CE2-OD1 3.46Å; Y112-N216 PolarHBondContact OH-ND2 2.78Å; Y112-N216 PolarHBondContact OH-OD1 2.87Å; D121-N216 VanDerWaalsContact C-ND2 3.33Å; E122-N216 HydrophobicContact CG-CB 4.11Å; E122-N216 PolarHBondContact N-ND2 3.45Å; E122-N216 WeakPolarHBondContact OE1-CB 3.46Å; E122-N216 PolarHBondContact OE1-N 2.9Å; N216-V218 HydrophobicContact CB-CG2 4.17Å; N216-V218 PolarHBondContact O-N 2.94Å; N216-V268 HydrophobicContact CB-CG1 3.85Å; N216-V268 VanDerWaalsContact CG-CG1 3.41Å; N216-V268 VanDerWaalsContact ND2-CG1 3.28Å; N216-V268 WeakPolarHBondContact ND2-CG1 3.11Å; N216-V269 PolarHBondContact ND2-O 3.48Å; N216-P270 HydrophobicContact CB-CB 4.49Å; N216-T273 PolarHBondContact N-OG1 3.02Å; N216-T273 VanDerWaalsContact N-OG1 3.14Å; N216-T273 PolarHBondContact O-OG1 3.09Å
217G98.6Very high95.6Very high0 Ų036 Ų360%021%0.21CC..EExtended strand (participates in β ladder)trans-80.162.4175.100000111.9R156 G158 I193R156-G217 PolarHBondContact O-N 3.45Å; G158-G217 PolarHBondContact N-O 2.95Å; I193-G217 WeakPolarHBondContact CB-O 3.21Å; I193-G217 WeakPolarHBondContact CG2-O 3.37Å
218V98.6Very high95.6Very high2 Ų237.6 Ų37.61%0.01222%0.218CC..SBendtrans-127.8153.7176.4-60.70000110V109 P191 W192 N216 V268 P270 Y280V109-V218 HydrophobicContact CG1-CG1 3.8Å; P191-V218 HydrophobicContact CB-CG1 4.02Å; W192-V218 CarbonylContact O-C 3.56Å; W192-V218 WeakPolarHBondContact O-CA 3.41Å; N216-V218 HydrophobicContact CB-CG2 4.17Å; N216-V218 PolarHBondContact O-N 2.94Å; V218-V268 HydrophobicContact CG1-CB 4.28Å; V218-V268 HydrophobicContact CG1-CG1 4.25Å; V218-V268 HydrophobicContact CG2-CB 4.26Å; V218-V268 HydrophobicContact CG2-CG1 4.02Å; V218-P270 HydrophobicContact CG2-CB 3.92Å; V218-P270 HydrophobicContact CG2-CG 4.09Å; V218-Y280 VanDerWaalsContact O-CE1 3.23Å; V218-Y280 WeakPolarHBondContact O-CE1 3.22Å; V218-Y280 VanDerWaalsContact O-CZ 3.27Å; V218-Y280 PolarHBondContact O-OH 3.44Å
219A97.9Very high95.6Very high2 Ų237.1 Ų37.12%0.01721%0.213CC..  trans-65.9152.2168.200000110.4W192 A221W192-A219 HydrophobicContact CD2-CB 4.06Å; W192-A219 HydrophobicContact CE3-CB 4.07Å; W192-A219 HydrophobicContact CH2-CB 3.6Å; W192-A219 HydrophobicContact CZ2-CB 3.59Å; W192-A219 HydrophobicContact CZ3-CB 3.86Å; W192-A219 PolarHBondContact O-N 2.96Å; A219-A221 PolarHBondContact O-N 3.28Å; A219-A221 VanDerWaalsContact O-N 3.15Å
220P94.3Very high95.7Very high47 Ų4732 Ų3231%0.30519%0.186SC..SBendtrans-67.4-10.3179.328.8-35.9000113.9S222 P270 P283P220-S222 PolarHBondContact O-N 3.32Å; P220-P270 HydrophobicContact CB-CG 4.31Å; P220-P283 HydrophobicContact CG-CB 3.61Å
221A85.9Confident95.6Very high19 Ų1932.9 Ų32.916%0.15719%0.19CC..  trans-72.454.5173.200000112.6W192 A219 T223 T224W192-A221 HydrophobicContact CZ2-CB 4.08Å; A219-A221 PolarHBondContact O-N 3.28Å; A219-A221 VanDerWaalsContact O-N 3.15Å; A221-T223 PolarHBondContact O-N 3.31Å; A221-T223 VanDerWaalsContact O-N 3.13Å; A221-T224 WeakPolarHBondContact O-CB 3.37Å; A221-T224 PolarHBondContact O-N 3.3Å; A221-T224 VanDerWaalsContact O-N 3.1Å; A221-T224 PolarHBondContact O-OG1 3.23Å
222S76.8Confident95.5Very high24 Ų2434 Ų3417%0.16820%0.199CC..THydrogen-bonded Turntrans-63.2-20.6-169.961.10000114.6P220 T224 K267 V268P220-S222 PolarHBondContact O-N 3.32Å; S222-T224 VanDerWaalsContact C-N 3.31Å; S222-K267 WeakPolarHBondContact O-CG 3.08Å; S222-V268 WeakPolarHBondContact CB-O 3.18Å
223T90.3Very high95.5Very high84 Ų8428 Ų2852%0.51517%0.171SC..THydrogen-bonded Turntrans-82.5-5178.255.60000113.9A221 T225A221-T223 PolarHBondContact O-N 3.31Å; A221-T223 VanDerWaalsContact O-N 3.13Å; T223-T225 PolarHBondContact O-N 3.3Å
224T96Very high95.4Very high10 Ų1026.4 Ų26.46%0.06116%0.155CC..  trans-54.8125.7-178.6-55.50000110.4F189 F190 W192 A221 S222 E228 L285F189-T224 CarbonylContact C-O 3.58Å; F189-T224 WeakPolarHBondContact CA-O 3.28Å; F190-T224 HydrophobicContact CB-CG2 4.49Å; F190-T224 PolarHBondContact N-O 3.31Å; W192-T224 PolarHBondContact NE1-OG1 3.01Å; W192-T224 VanDerWaalsContact NE1-OG1 3.1Å; A221-T224 WeakPolarHBondContact O-CB 3.37Å; A221-T224 PolarHBondContact O-N 3.3Å; A221-T224 VanDerWaalsContact O-N 3.1Å; A221-T224 PolarHBondContact O-OG1 3.23Å; S222-T224 VanDerWaalsContact C-N 3.31Å; T224-E228 WeakPolarHBondContact CA-OE2 3.33Å; T224-L285 HydrophobicContact CG2-CD2 3.56Å
225T97.8Very high95.2Very high28 Ų2828.7 Ų28.717%0.17218%0.177CC..BIsolated β-bridgetrans-97.1163.7174.162.60000111.6Q188 T223 A227 E228 F229Q188-T225 CarbonylContact O-C 3.49Å; Q188-T225 WeakPolarHBondContact O-CA 3.41Å; T223-T225 PolarHBondContact O-N 3.3Å; T225-A227 VanDerWaalsContact C-N 3.27Å; T225-A227 PolarHBondContact O-N 2.77Å; T225-E228 PolarHBondContact N-OE2 3.26Å; T225-E228 PolarHBondContact O-N 3.48Å; T225-E228 VanDerWaalsContact OG1-CG 3.28Å; T225-E228 WeakPolarHBondContact OG1-CG 3.45Å; T225-E228 PolarHBondContact OG1-N 2.78Å; T225-E228 PolarHBondContact OG1-OE2 3.39Å; T225-F229 PolarHBondContact O-N 2.97Å
226N97.3Very high95.1Very high5 Ų529.9 Ų29.93%0.02719%0.188CC..Hα-helixtrans-62.7-34.3175.7-179.2-91.7000112.7P182 I183 G186 Q188 F229 A230P182-N226 WeakPolarHBondContact CA-OD1 3.39Å; I183-N226 PolarHBondContact N-OD1 3.23Å; G186-N226 PolarHBondContact O-N 2.76Å; Q188-N226 HydrophobicContact CG-CB 4.1Å; Q188-N226 PolarHBondContact O-N 3.11Å; N226-F229 PolarHBondContact O-N 2.93Å; N226-A230 WeakPolarHBondContact O-CB 3.48Å; N226-A230 PolarHBondContact O-N 2.86Å
227A97.2Very high94.9Very high39 Ų3931.4 Ų31.432%0.32220%0.196SC..Hα-helixtrans-63.7-46.4174.400000112P182 G186 T225 F229 A230 Q231P182-A227 HydrophobicContact CB-CB 4.42Å; G186-A227 WeakPolarHBondContact O-CB 3.49Å; G186-A227 PolarHBondContact O-N 3.06Å; T225-A227 VanDerWaalsContact C-N 3.27Å; T225-A227 PolarHBondContact O-N 2.77Å; A227-F229 VanDerWaalsContact C-N 3.33Å; A227-F229 PolarHBondContact O-N 3.48Å; A227-A230 PolarHBondContact O-N 2.91Å; A227-Q231 WeakPolarHBondContact O-CB 3.3Å; A227-Q231 PolarHBondContact O-N 3Å
228E97.2Very high94.8Very high94 Ų9434.5 Ų34.544%0.43923%0.227SC..Hα-helixtrans-62.8-40.6175.9-71.4166.5149.100111.5T224 T225 Q231 A232T224-E228 WeakPolarHBondContact CA-OE2 3.33Å; T225-E228 PolarHBondContact N-OE2 3.26Å; T225-E228 PolarHBondContact O-N 3.48Å; T225-E228 VanDerWaalsContact OG1-CG 3.28Å; T225-E228 WeakPolarHBondContact OG1-CG 3.45Å; T225-E228 PolarHBondContact OG1-N 2.78Å; T225-E228 PolarHBondContact OG1-OE2 3.39Å; E228-Q231 PolarHBondContact O-N 2.83Å; E228-A232 WeakPolarHBondContact O-CB 3.44Å; E228-A232 PolarHBondContact O-N 2.92Å
229F96.9Very high94.6Very high4 Ų441 Ų412%0.01825%0.251CS..Hα-helixtrans-58.2-50.3172.2166.6-98.5000112.2L161 M171 F190 T225 N226 A227 Q231 A232 L233 L285 L289L161-F229 HydrophobicContact CD1-CD2 4.44Å; L161-F229 HydrophobicContact CD1-CE2 4.06Å; L161-F229 HydrophobicContact CD2-CE2 4.17Å; M171-F229 HydrophobicContact SD-CE1 3.83Å; M171-F229 HydrophobicContact SD-CZ 3.95Å; F190-F229 HydrophobicContact CD1-CB 3.85Å; F190-F229 AromaticContact CD1-CD2 3.91Å; F190-F229 HydrophobicContact CD1-CD2 3.91Å; F190-F229 AromaticContact CD1-CG 3.87Å; F190-F229 HydrophobicContact CD1-CG 3.87Å; F190-F229 HydrophobicContact CE1-CB 4.16Å; F190-F229 HydrophobicContact CE1-CD1 4.23Å; F190-F229 AromaticContact CE1-CD2 3.37Å; F190-F229 HydrophobicContact CE1-CD2 3.37Å; F190-F229 AromaticContact CE1-CE2 3.75Å; F190-F229 HydrophobicContact CE1-CE2 3.75Å; F190-F229 AromaticContact CE1-CG 3.64Å; F190-F229 HydrophobicContact CE1-CG 3.64Å; F190-F229 HydrophobicContact CE1-CZ 4.34Å; F190-F229 HydrophobicContact CG-CB 4.27Å; F190-F229 HydrophobicContact CG-CG 4.45Å; F190-F229 HydrophobicContact CZ-CD1 4.17Å; F190-F229 AromaticContact CZ-CD2 3.96Å; F190-F229 HydrophobicContact CZ-CD2 3.96Å; F190-F229 HydrophobicContact CZ-CE1 4.22Å; F190-F229 AromaticContact CZ-CE2 4Å; F190-F229 HydrophobicContact CZ-CE2 4Å; F190-F229 HydrophobicContact CZ-CG 4.04Å; F190-F229 HydrophobicContact CZ-CZ 4.13Å; T225-F229 PolarHBondContact O-N 2.97Å; N226-F229 PolarHBondContact O-N 2.93Å; A227-F229 VanDerWaalsContact C-N 3.33Å; A227-F229 PolarHBondContact O-N 3.48Å; F229-Q231 PolarHBondContact O-N 3.43Å; F229-A232 PolarHBondContact O-N 3.09Å; F229-L233 HydrophobicContact CE1-CD2 4.34Å; F229-L233 HydrophobicContact CZ-CD2 4Å; F229-L233 WeakPolarHBondContact O-CB 3.44Å; F229-L233 PolarHBondContact O-N 3.21Å; F229-L285 HydrophobicContact CB-CD2 4.24Å; F229-L285 HydrophobicContact CD2-CD1 4.23Å; F229-L289 HydrophobicContact CD2-CD1 4.46Å; F229-L289 HydrophobicContact CE2-CD2 4.07Å
230A96.4Very high94.4Very high1 Ų143.9 Ų43.91%0.00827%0.27CS..Hα-helixtrans-61.3-45.3-179.600000111.3F175 N226 A227 L233 G234 A241F175-A230 HydrophobicContact CE1-CB 4.28Å; F175-A230 WeakPolarHBondContact CE1-O 3.41Å; F175-A230 HydrophobicContact CZ-CB 4.11Å; N226-A230 WeakPolarHBondContact O-CB 3.48Å; N226-A230 PolarHBondContact O-N 2.86Å; A227-A230 PolarHBondContact O-N 2.91Å; A230-L233 PolarHBondContact O-N 3.22Å; A230-G234 PolarHBondContact O-N 3.48Å; A230-A241 WeakPolarHBondContact O-CB 3.38Å
231Q96.9Very high94.5Very high141 Ų14142.6 Ų42.666%0.65926%0.263SS*.Hα-helixtrans-61.3-46.5176.9-175.1-179.55.200111.7A227 E228 F229 L233 G234 A235A227-Q231 WeakPolarHBondContact O-CB 3.3Å; A227-Q231 PolarHBondContact O-N 3Å; E228-Q231 PolarHBondContact O-N 2.83Å; F229-Q231 PolarHBondContact O-N 3.43Å; Q231-L233 VanDerWaalsContact C-N 3.34Å; Q231-L233 PolarHBondContact O-N 3.3Å; Q231-G234 PolarHBondContact O-N 3Å; Q231-A235 WeakPolarHBondContact O-CB 3.23Å; Q231-A235 PolarHBondContact O-N 3.22Å
232A96.2Very high94.7Very high24 Ų2449.1 Ų49.120%0.19829%0.289CS..Hα-helixtrans-65.1-37.3-179.700000112.2E228 F229 A235 A236 L285 L289E228-A232 WeakPolarHBondContact O-CB 3.44Å; E228-A232 PolarHBondContact O-N 2.92Å; F229-A232 PolarHBondContact O-N 3.09Å; A232-A235 PolarHBondContact O-N 2.92Å; A232-A236 WeakPolarHBondContact O-CB 3.22Å; A232-A236 PolarHBondContact O-N 3.38Å; A232-L285 HydrophobicContact CB-CD2 3.96Å; A232-L285 HydrophobicContact CB-CG 4.24Å; A232-L289 HydrophobicContact CB-CD1 3.57Å
233L95.9Very high95.6Very high0 Ų051.3 Ų51.30%030%0.298CS..Hα-helixtrans-68.1-42.6175.7178.958.3000111.6F175 F229 A230 Q231 A236 L237 L289 V293F175-L233 HydrophobicContact CB-CD2 4.34Å; F175-L233 HydrophobicContact CB-CG 4.45Å; F175-L233 HydrophobicContact CD1-CB 4.07Å; F175-L233 HydrophobicContact CD1-CD2 3.61Å; F175-L233 HydrophobicContact CD1-CG 3.6Å; F175-L233 HydrophobicContact CD2-CD2 3.93Å; F175-L233 HydrophobicContact CE1-CB 3.99Å; F175-L233 HydrophobicContact CE1-CD2 3.77Å; F175-L233 HydrophobicContact CE1-CG 3.96Å; F175-L233 HydrophobicContact CE2-CD2 4.07Å; F175-L233 HydrophobicContact CG-CD2 3.69Å; F175-L233 HydrophobicContact CG-CG 4.03Å; F175-L233 HydrophobicContact CZ-CD2 3.99Å; F229-L233 HydrophobicContact CE1-CD2 4.34Å; F229-L233 HydrophobicContact CZ-CD2 4Å; F229-L233 WeakPolarHBondContact O-CB 3.44Å; F229-L233 PolarHBondContact O-N 3.21Å; A230-L233 PolarHBondContact O-N 3.22Å; Q231-L233 VanDerWaalsContact C-N 3.34Å; Q231-L233 PolarHBondContact O-N 3.3Å; L233-A236 PolarHBondContact O-N 3.47Å; L233-L237 HydrophobicContact CD1-CD1 3.91Å; L233-L237 HydrophobicContact CD1-CG 4.35Å; L233-L237 HydrophobicContact CG-CD1 4.12Å; L233-L237 WeakPolarHBondContact O-CG 3.46Å; L233-L237 PolarHBondContact O-N 3.17Å; L233-L237 VanDerWaalsContact O-N 3.13Å; L233-L289 HydrophobicContact CB-CD1 4.14Å; L233-L289 HydrophobicContact CD1-CD2 4.3Å; L233-V293 HydrophobicContact CD1-CG1 4.01Å
234G96.1Very high95.8Very high0 Ų050.8 Ų50.80%030%0.296CS..Hα-helixtrans-57.8-49172.400000111.9A230 Q231 A236 L237 G238 R239A230-G234 PolarHBondContact O-N 3.48Å; Q231-G234 PolarHBondContact O-N 3Å; G234-A236 PolarHBondContact O-N 3.26Å; G234-L237 CarbonylContact O-C 3.58Å; G234-L237 PolarHBondContact O-N 3.49Å; G234-L237 VanDerWaalsContact O-N 3.14Å; G234-G238 PolarHBondContact O-N 3.06Å; G234-R239 CarbonylContact C-O 3.59Å; G234-R239 VanDerWaalsContact CA-O 3.25Å; G234-R239 WeakPolarHBondContact CA-O 3.31Å; G234-R239 PolarHBondContact O-N 2.94Å
235A96.3Very high95.7Very high76 Ų7652.9 Ų52.963%0.62831%0.308SS*.Hα-helixtrans-59.9-4417800000112.5Q231 A232 L237 G238Q231-A235 WeakPolarHBondContact O-CB 3.23Å; Q231-A235 PolarHBondContact O-N 3.22Å; A232-A235 PolarHBondContact O-N 2.92Å; A235-L237 PolarHBondContact O-N 2.95Å; A235-G238 PolarHBondContact O-N 2.88Å; A235-G238 VanDerWaalsContact O-N 3.13Å
236A95.6Very high95.6Very high28 Ų2854.9 Ų54.923%0.23132%0.322CS..Hα-helixtrans-63.3-30.2177.900000112.6A232 L233 G234 L289 K290 V293A232-A236 WeakPolarHBondContact O-CB 3.22Å; A232-A236 PolarHBondContact O-N 3.38Å; L233-A236 PolarHBondContact O-N 3.47Å; G234-A236 PolarHBondContact O-N 3.26Å; A236-L289 HydrophobicContact CB-CB 4.09Å; A236-K290 HydrophobicContact CB-CG 4.48Å; A236-V293 HydrophobicContact CB-CG2 3.7Å; A236-V293 WeakPolarHBondContact O-CG2 3.4Å
237L94.9Very high95.5Very high32 Ų3257 Ų5717%0.16834%0.337CS..Hα-helixtrans-89.2-6.1176.7-69.5168.1000114.1L172 F175 R176 L233 G234 A235 R239 V293L172-L237 HydrophobicContact CD1-CD1 4.14Å; L172-L237 HydrophobicContact CD1-CD2 4.03Å; F175-L237 HydrophobicContact CB-CD1 3.62Å; R176-L237 HydrophobicContact CG-CD1 4.29Å; R176-L237 HydrophobicContact CG-CD2 3.95Å; L233-L237 HydrophobicContact CD1-CD1 3.91Å; L233-L237 HydrophobicContact CD1-CG 4.35Å; L233-L237 HydrophobicContact CG-CD1 4.12Å; L233-L237 WeakPolarHBondContact O-CG 3.46Å; L233-L237 PolarHBondContact O-N 3.17Å; L233-L237 VanDerWaalsContact O-N 3.13Å; G234-L237 CarbonylContact O-C 3.58Å; G234-L237 PolarHBondContact O-N 3.49Å; G234-L237 VanDerWaalsContact O-N 3.14Å; A235-L237 PolarHBondContact O-N 2.95Å; L237-R239 VanDerWaalsContact C-N 3.3Å; L237-R239 HydrophobicContact CB-CB 4.35Å; L237-R239 HydrophobicContact CB-CG 4.14Å; L237-R239 PolarHBondContact O-N 3.08Å; L237-V293 HydrophobicContact CD2-CB 3.74Å; L237-V293 HydrophobicContact CD2-CG1 3.83Å; L237-V293 HydrophobicContact CD2-CG2 4.22Å; L237-V293 HydrophobicContact CG-CB 4.39Å; L237-V293 HydrophobicContact CG-CG1 4.16Å
238G95.4Very high95.4Very high65 Ų6561.4 Ų61.467%0.6735%0.354SS*.THydrogen-bonded Turntrans63.534.4-170.900000112.9G234 A235G234-G238 PolarHBondContact O-N 3.06Å; A235-G238 PolarHBondContact O-N 2.88Å; A235-G238 VanDerWaalsContact O-N 3.13Å
239R96.1Very high95.3Very high137 Ų13760.2 Ų60.252%0.51735%0.353SS..SBendtrans-127.6150.5-176.3-64.5-61.4-175.7176.30.9112F175 R176 G234 L237F175-R239 WeakPolarHBondContact O-CB 3.45Å; R176-R239 PolarHBondContact O-NE 3.04Å; G234-R239 CarbonylContact C-O 3.59Å; G234-R239 VanDerWaalsContact CA-O 3.25Å; G234-R239 WeakPolarHBondContact CA-O 3.31Å; G234-R239 PolarHBondContact O-N 2.94Å; L237-R239 VanDerWaalsContact C-N 3.3Å; L237-R239 HydrophobicContact CB-CB 4.35Å; L237-R239 HydrophobicContact CB-CG 4.14Å; L237-R239 PolarHBondContact O-N 3.08Å
240P93.8Very high95.2Very high64 Ų6460.3 Ų60.342%0.41635%0.354SS..  trans-63.6145.1168.826.6-32.5000111.1F242P240-F242 HydrophobicContact CB-CD1 3.62Å; P240-F242 HydrophobicContact CB-CE1 3.29Å; P240-F242 HydrophobicContact CB-CZ 4.23Å; P240-F242 HydrophobicContact CG-CE1 4.22Å
241A94.7Very high95.1Very high19 Ų1963.8 Ų63.816%0.15737%0.37CS..  trans-138.856.6178.500000111.5F175 G180 G181 A230F175-A241 HydrophobicContact CD1-CB 4.15Å; F175-A241 HydrophobicContact CE1-CB 3.77Å; G180-A241 CarbonylContact O-C 3.38Å; G180-A241 VanDerWaalsContact O-CA 3.23Å; G180-A241 WeakPolarHBondContact O-CA 3.39Å; G181-A241 WeakPolarHBondContact CA-O 3.17Å; A230-A241 WeakPolarHBondContact O-CB 3.38Å
242F91.7Very high94.9Very high156 Ų15661.2 Ų61.268%0.68437%0.373SS*.  trans-115.92.7-175.158.3-109.1000113.9G180 P240 P244G180-F242 PolarHBondContact O-N 3.25Å; P240-F242 HydrophobicContact CB-CD1 3.62Å; P240-F242 HydrophobicContact CB-CE1 3.29Å; P240-F242 HydrophobicContact CB-CZ 4.23Å; P240-F242 HydrophobicContact CG-CE1 4.22Å; F242-P244 WeakPolarHBondContact O-CD 3.41Å
243I94.6Very high94.8Very high71 Ų7163.6 Ų63.636%0.36439%0.385SS..  trans-86.2103.9-178.9-54.7-169.2000108.9L179 G180 G181L179-I243 HydrophobicContact CD2-CD1 4.01Å; G180-I243 PolarHBondContact O-N 3.1Å; G181-I243 WeakPolarHBondContact CA-O 3.42Å; G181-I243 PolarHBondContact N-O 2.91Å
244P94.3Very high94.6Very high72 Ų7264.9 Ų64.947%0.46839%0.39SS..  trans-69140.5-179.730-35.2000110.5P182 F242 P246P182-P244 HydrophobicContact CG-CB 4.2Å; P182-P244 CarbonylContact O-C 3.54Å; P182-P244 WeakPolarHBondContact O-CA 3.03Å; F242-P244 WeakPolarHBondContact O-CD 3.41Å; P244-P246 WeakPolarHBondContact O-CD 3.36Å
245V94.5Very high94.5Very high54 Ų5466 Ų6633%0.32740%0.402SS..BIsolated β-bridgetrans-89.5111.6169.2-172.90000108.2P182 G184 V249 V250P182-V245 PolarHBondContact O-N 3.41Å; G184-V245 PolarHBondContact N-O 2.9Å; V245-V249 HydrophobicContact CG1-CB 4.33Å; V245-V249 HydrophobicContact CG1-CG1 4.25Å; V245-V250 HydrophobicContact CB-CG2 4.44Å; V245-V250 HydrophobicContact CG1-CG2 3.7Å
246P95.4Very high94.2Very high71 Ų7171.8 Ų71.846%0.46141%0.408SS..  trans-63.3145.2-176.4-22.834.5000112.3P244 I248 V249 V250P244-P246 WeakPolarHBondContact O-CD 3.36Å; P246-I248 HydrophobicContact CB-CG2 4.3Å; P246-I248 PolarHBondContact O-N 3.03Å; P246-I248 VanDerWaalsContact O-N 3.11Å; P246-V249 HydrophobicContact CB-CG2 4.26Å; P246-V249 HydrophobicContact CG-CG2 4.28Å; P246-V249 WeakPolarHBondContact O-CB 3.49Å; P246-V249 PolarHBondContact O-N 3.01Å; P246-V250 PolarHBondContact O-N 3.47Å
247S95.5Very high94Very high50 Ų5074.6 Ų74.635%0.3542%0.416SS..Hα-helixtrans-54.4-35.6-180-52.50000113V249 V250 Q251S247-V249 VanDerWaalsContact C-N 3.3Å; S247-V249 PolarHBondContact O-N 3.24Å; S247-V250 PolarHBondContact O-N 3.3Å; S247-Q251 WeakPolarHBondContact O-CB 3.38Å; S247-Q251 VanDerWaalsContact O-CG 3.27Å; S247-Q251 WeakPolarHBondContact O-CG 3.47Å; S247-Q251 PolarHBondContact O-N 3.23Å
248I96Very high94Very high130 Ų13073.1 Ų73.167%0.66741%0.408SS*.Hα-helixtrans-64.5-35.2179-154.5168.3000112.2P246 A252P246-I248 HydrophobicContact CB-CG2 4.3Å; P246-I248 PolarHBondContact O-N 3.03Å; P246-I248 VanDerWaalsContact O-N 3.11Å; I248-A252 VanDerWaalsContact O-CB 3.32Å; I248-A252 WeakPolarHBondContact O-CB 3.46Å; I248-A252 PolarHBondContact O-N 2.82Å
249V94.5Very high93.9Very high69 Ų6970 Ų7042%0.41838%0.376SS..Hα-helixtrans-69.8-44.2177.41770000109.6V245 P246 S247 Q251 A252 V253V245-V249 HydrophobicContact CG1-CB 4.33Å; V245-V249 HydrophobicContact CG1-CG1 4.25Å; P246-V249 HydrophobicContact CB-CG2 4.26Å; P246-V249 HydrophobicContact CG-CG2 4.28Å; P246-V249 WeakPolarHBondContact O-CB 3.49Å; P246-V249 PolarHBondContact O-N 3.01Å; S247-V249 VanDerWaalsContact C-N 3.3Å; S247-V249 PolarHBondContact O-N 3.24Å; V249-Q251 VanDerWaalsContact C-N 3.35Å; V249-Q251 PolarHBondContact O-N 3.04Å; V249-A252 PolarHBondContact O-N 3.25Å; V249-V253 WeakPolarHBondContact O-CG2 3.38Å; V249-V253 PolarHBondContact O-N 3.45Å
250V93.7Very high93.6Very high7 Ų765.3 Ų65.34%0.04236%0.362CS..Hα-helixtrans-62-45.1177.8-179.10000110.5I183 V245 P246 S247 A252 V253 F254 A259 L262 L263I183-V250 HydrophobicContact CG2-CG2 3.65Å; V245-V250 HydrophobicContact CB-CG2 4.44Å; V245-V250 HydrophobicContact CG1-CG2 3.7Å; P246-V250 PolarHBondContact O-N 3.47Å; S247-V250 PolarHBondContact O-N 3.3Å; V250-A252 VanDerWaalsContact C-N 3.35Å; V250-A252 PolarHBondContact O-N 2.88Å; V250-V253 PolarHBondContact O-N 3.24Å; V250-F254 HydrophobicContact CG1-CD2 4.08Å; V250-F254 WeakPolarHBondContact O-CB 3.32Å; V250-F254 PolarHBondContact O-N 2.89Å; V250-A259 HydrophobicContact CG1-CB 3.85Å; V250-L262 HydrophobicContact CG1-CB 4.1Å; V250-L262 HydrophobicContact CG1-CD2 4.23Å; V250-L263 HydrophobicContact CB-CD1 4.41Å; V250-L263 HydrophobicContact CB-CD2 4.31Å; V250-L263 HydrophobicContact CB-CG 4.46Å; V250-L263 HydrophobicContact CG1-CD1 4.39Å; V250-L263 HydrophobicContact CG1-CD2 4.45Å; V250-L263 HydrophobicContact CG1-CG 4.2Å; V250-L263 HydrophobicContact CG2-CD2 4.25Å
251Q94.7Very high93.6Very high74 Ų7466 Ų6635%0.34636%0.361SS..Hα-helixtrans-64.9-35.7176.6-71.2174.28.300112.8S247 V249 G255 A259 L263S247-Q251 WeakPolarHBondContact O-CB 3.38Å; S247-Q251 VanDerWaalsContact O-CG 3.27Å; S247-Q251 WeakPolarHBondContact O-CG 3.47Å; S247-Q251 PolarHBondContact O-N 3.23Å; V249-Q251 VanDerWaalsContact C-N 3.35Å; V249-Q251 PolarHBondContact O-N 3.04Å; Q251-G255 CarbonylContact O-C 3.53Å; Q251-G255 WeakPolarHBondContact O-CA 3.44Å; Q251-G255 PolarHBondContact O-N 2.7Å; Q251-A259 HydrophobicContact CB-CB 4.41Å; Q251-A259 HydrophobicContact CG-CB 3.71Å; Q251-L263 HydrophobicContact CG-CD1 4.16Å
252A93.9Very high93.5Very high86 Ų8666.3 Ų66.371%0.71136%0.36SS*.Hα-helixtrans-66.5-40.5176.600000112.1I248 V249 V250I248-A252 VanDerWaalsContact O-CB 3.32Å; I248-A252 WeakPolarHBondContact O-CB 3.46Å; I248-A252 PolarHBondContact O-N 2.82Å; V249-A252 PolarHBondContact O-N 3.25Å; V250-A252 VanDerWaalsContact C-N 3.35Å; V250-A252 PolarHBondContact O-N 2.88Å
253V92.4Very high93.7Very high75 Ų7560.1 Ų60.146%0.45533%0.334SS..Hα-helixtrans-76.6-47.7-179.21750000111.7P66 V249 V250P66-V253 HydrophobicContact CB-CG1 4.17Å; V249-V253 WeakPolarHBondContact O-CG2 3.38Å; V249-V253 PolarHBondContact O-N 3.45Å; V250-V253 PolarHBondContact O-N 3.24Å
254F92.3Very high93.8Very high27 Ų2761.3 Ų61.312%0.11834%0.338CS..Hα-helixtrans-98.6-16.8-170.7-67.3-76.8000113.7P66 V250 R258 L262P66-F254 HydrophobicContact CB-CE1 3.94Å; P66-F254 HydrophobicContact CB-CZ 4.18Å; V250-F254 HydrophobicContact CG1-CD2 4.08Å; V250-F254 WeakPolarHBondContact O-CB 3.32Å; V250-F254 PolarHBondContact O-N 2.89Å; F254-R258 HydrophobicContact CB-CB 3.9Å; F254-R258 VanDerWaalsContact O-CZ 3.25Å; F254-R258 PolarHBondContact O-NE 3.1Å; F254-R258 PolarHBondContact O-NH2 2.76Å; F254-L262 HydrophobicContact CD2-CD2 4.34Å; F254-L262 HydrophobicContact CE2-CD2 4.09Å
255G93.6Very high93.8Very high24 Ų2458.1 Ų58.125%0.24732%0.318CS..  trans80159.2-166.200000111.4Q251 E257 A259Q251-G255 CarbonylContact O-C 3.53Å; Q251-G255 WeakPolarHBondContact O-CA 3.44Å; Q251-G255 PolarHBondContact O-N 2.7Å; G255-E257 PolarHBondContact O-N 3.45Å; G255-A259 WeakPolarHBondContact O-CB 3.3Å; G255-A259 PolarHBondContact O-N 2.88Å
256R91.4Very high93.9Very high197 Ų19756.5 Ų56.574%0.74331%0.307SS*.Hα-helixtrans-59.6-48.9-172.2-69.9-175.9176.1177.9-0.5113.3R258 A259 T260R256-R258 PolarHBondContact O-N 3Å; R256-A259 PolarHBondContact O-N 2.97Å; R256-T260 PolarHBondContact O-N 3.2Å; R256-T260 PolarHBondContact O-OG1 3.3Å
257E91.3Very high94.1Very high87 Ų8755.1 Ų55.141%0.40729%0.294SS..Hα-helixtrans-60.6-47.4-177.7-71.5-179.2179.400112.5W70 Q75 F132 G255 T260W70-E257 PolarHBondContact NE1-OE2 2.93Å; Q75-E257 PolarHBondContact NE2-OE2 2.79Å; F132-E257 WeakPolarHBondContact CE2-O 3.11Å; G255-E257 PolarHBondContact O-N 3.45Å; E257-T260 WeakPolarHBondContact O-CB 3.44Å; E257-T260 PolarHBondContact O-N 3.26Å
258R93.6Very high94.2Very high1 Ų152.9 Ų52.90%0.00428%0.278CS..Hα-helixtrans-68.8-35.7176.7-76.7-170.1-65.7-179.10.6112.5V63 N65 R68 W70 F132 F254 R256 T260 M261 L262V63-R258 HydrophobicContact CG1-CG 4.13Å; V63-R258 WeakPolarHBondContact O-CD 3.39Å; V63-R258 PolarHBondContact O-NH1 3.38Å; N65-R258 PolarHBondContact O-NH1 2.95Å; R68-R258 PolarHBondContact O-NH1 3.26Å; R68-R258 PolarHBondContact O-NH2 3.21Å; W70-R258 HydrophobicContact CD2-CG 3.73Å; W70-R258 HydrophobicContact CE3-CG 3.59Å; W70-R258 HydrophobicContact CG-CG 4.36Å; W70-R258 HydrophobicContact CH2-CG 4.16Å; W70-R258 HydrophobicContact CZ2-CG 4.25Å; W70-R258 HydrophobicContact CZ3-CG 3.83Å; F132-R258 HydrophobicContact CE2-CG 4.49Å; F132-R258 HydrophobicContact CZ-CG 3.9Å; F254-R258 HydrophobicContact CB-CB 3.9Å; F254-R258 VanDerWaalsContact O-CZ 3.25Å; F254-R258 PolarHBondContact O-NE 3.1Å; F254-R258 PolarHBondContact O-NH2 2.76Å; R256-R258 PolarHBondContact O-N 3Å; R258-T260 PolarHBondContact O-N 3.39Å; R258-M261 WeakPolarHBondContact O-CB 3.3Å; R258-M261 PolarHBondContact O-N 3.44Å; R258-L262 WeakPolarHBondContact O-CD1 3.33Å
259A93.3Very high94.3Very high0 Ų047.8 Ų47.80%025%0.253CS..Hα-helixtrans-60.3-30.4179.700000112.1V250 Q251 G255 R256 M261 L262 L263V250-A259 HydrophobicContact CG1-CB 3.85Å; Q251-A259 HydrophobicContact CB-CB 4.41Å; Q251-A259 HydrophobicContact CG-CB 3.71Å; G255-A259 WeakPolarHBondContact O-CB 3.3Å; G255-A259 PolarHBondContact O-N 2.88Å; R256-A259 PolarHBondContact O-N 2.97Å; A259-M261 PolarHBondContact O-N 3.47Å; A259-L262 PolarHBondContact O-N 3.49Å; A259-L263 HydrophobicContact CB-CD1 3.92Å; A259-L263 WeakPolarHBondContact O-CB 3.47Å; A259-L263 WeakPolarHBondContact O-CG 3.44Å; A259-L263 PolarHBondContact O-N 2.79Å
260T91.4Very high94.5Very high37 Ų3744.5 Ų44.523%0.22723%0.233CC..Hα-helixtrans-54-38.4172.3-61.50000112.2P114 R256 E257 R258 L262 L263 E264P114-T260 HydrophobicContact CG-CG2 4.46Å; R256-T260 PolarHBondContact O-N 3.2Å; R256-T260 PolarHBondContact O-OG1 3.3Å; E257-T260 WeakPolarHBondContact O-CB 3.44Å; E257-T260 PolarHBondContact O-N 3.26Å; R258-T260 PolarHBondContact O-N 3.39Å; T260-L262 PolarHBondContact O-N 3.21Å; T260-L262 VanDerWaalsContact O-N 3.17Å; T260-L263 PolarHBondContact O-N 2.71Å; T260-E264 HydrophobicContact CG2-CB 4.3Å; T260-E264 HydrophobicContact CG2-CG 4.31Å; T260-E264 WeakPolarHBondContact O-CB 3.23Å; T260-E264 PolarHBondContact O-N 3.28Å
261M92.2Very high94.7Very high78 Ų7850.5 Ų50.538%0.38426%0.255SS..Hα-helixtrans-65.7-17.4176.7-59.1179.568.500114.1V63 L64 F132 R258 A259V63-M261 HydrophobicContact CG1-SD 3.89Å; L64-M261 HydrophobicContact CD2-SD 4.38Å; F132-M261 HydrophobicContact CD1-SD 3.99Å; F132-M261 HydrophobicContact CD2-CG 3.87Å; F132-M261 HydrophobicContact CD2-SD 3.87Å; F132-M261 HydrophobicContact CE1-SD 3.82Å; F132-M261 HydrophobicContact CE2-CG 3.89Å; F132-M261 HydrophobicContact CE2-SD 3.66Å; F132-M261 HydrophobicContact CG-CG 4.44Å; F132-M261 HydrophobicContact CG-SD 4.03Å; F132-M261 HydrophobicContact CZ-CG 4.48Å; F132-M261 HydrophobicContact CZ-SD 3.65Å; R258-M261 WeakPolarHBondContact O-CB 3.3Å; R258-M261 PolarHBondContact O-N 3.44Å; A259-M261 PolarHBondContact O-N 3.47Å
262L93.1Very high94.9Very high27 Ų2751.3 Ų51.314%0.14126%0.255CS..Hα-helixtrans-106.1-31.7-179.9-65.288.9000112.4L64 I183 Q188 V250 F254 R258 A259 T260L64-L262 HydrophobicContact CD2-CD1 3.79Å; I183-L262 HydrophobicContact CD1-CD2 4.28Å; I183-L262 HydrophobicContact CG2-CB 4.29Å; Q188-L262 PolarHBondContact NE2-O 3.4Å; V250-L262 HydrophobicContact CG1-CB 4.1Å; V250-L262 HydrophobicContact CG1-CD2 4.23Å; F254-L262 HydrophobicContact CD2-CD2 4.34Å; F254-L262 HydrophobicContact CE2-CD2 4.09Å; R258-L262 WeakPolarHBondContact O-CD1 3.33Å; A259-L262 PolarHBondContact O-N 3.49Å; T260-L262 PolarHBondContact O-N 3.21Å; T260-L262 VanDerWaalsContact O-N 3.17Å
263L95.8Very high95.1Very high26 Ų2647.2 Ų47.214%0.13622%0.221CC..Hα-helixtrans-94.4-19.9-173.7-65.4173.1000113.1I183 Q188 V250 Q251 A259 T260I183-L263 HydrophobicContact CG2-CD2 3.72Å; Q188-L263 WeakPolarHBondContact CG-O 3.4Å; V250-L263 HydrophobicContact CB-CD1 4.41Å; V250-L263 HydrophobicContact CB-CD2 4.31Å; V250-L263 HydrophobicContact CB-CG 4.46Å; V250-L263 HydrophobicContact CG1-CD1 4.39Å; V250-L263 HydrophobicContact CG1-CD2 4.45Å; V250-L263 HydrophobicContact CG1-CG 4.2Å; V250-L263 HydrophobicContact CG2-CD2 4.25Å; Q251-L263 HydrophobicContact CG-CD1 4.16Å; A259-L263 HydrophobicContact CB-CD1 3.92Å; A259-L263 WeakPolarHBondContact O-CB 3.47Å; A259-L263 WeakPolarHBondContact O-CG 3.44Å; A259-L263 PolarHBondContact O-N 2.79Å; T260-L263 PolarHBondContact O-N 2.71Å
264E96.4Very high95.4Very high95 Ų9547.4 Ų47.444%0.44422%0.219SC..  trans-125.9168.8178.3-55.7176.8-145.600109.6P114 T260P114-E264 HydrophobicContact CB-CB 3.65Å; P114-E264 WeakPolarHBondContact CB-OE2 3.29Å; P114-E264 HydrophobicContact CG-CB 4.16Å; T260-E264 HydrophobicContact CG2-CB 4.3Å; T260-E264 HydrophobicContact CG2-CG 4.31Å; T260-E264 WeakPolarHBondContact O-CB 3.23Å; T260-E264 PolarHBondContact O-N 3.28Å
265G95.3Very high95.7Very high5 Ų550.1 Ų50.15%0.05225%0.247CC..  trans-167.6172-176.100000114.2P114 S115 F189P114-G265 WeakPolarHBondContact CA-O 3.36Å; S115-G265 PolarHBondContact N-O 3.5Å; S115-G265 VanDerWaalsContact N-O 3.1Å; F189-G265 WeakPolarHBondContact O-CA 3.34Å
266Q97Very high96Very high20 Ų2049.9 Ų49.99%0.09324%0.24CC..  trans-123.8133.3-174.3-50.381.814.300109.8Y112 Y120 F189 V268Y112-Q266 VanDerWaalsContact O-CG 3.3Å; Y112-Q266 WeakPolarHBondContact O-CG 3.15Å; Y112-Q266 PolarHBondContact O-NE2 2.83Å; Y120-Q266 HydrophobicContact CD2-CB 4.1Å; Y120-Q266 HydrophobicContact CE2-CB 4.37Å; F189-Q266 WeakPolarHBondContact CB-O 3.36Å; Q266-V268 HydrophobicContact CB-CG2 3.64Å; Q266-V268 PolarHBondContact O-N 3.35Å
267K98.1Very high96.3Very high43 Ų4343 Ų4319%0.18723%0.23CC..EExtended strand (participates in β ladder)trans-79.498167-173.4-172.6-178-164.30108.5E118 E119 Y120 F189 S222E118-K267 WeakPolarHBondContact O-CB 3.47Å; E119-K267 HydrophobicContact CB-CD 4.05Å; E119-K267 HydrophobicContact CG-CD 4.07Å; E119-K267 HydrophobicContact CG-CG 4.34Å; E119-K267 WeakPolarHBondContact OE2-CE 3.26Å; E119-K267 IonicContact OE2-NZ 2.7Å; E119-K267 PolarHBondContact OE2-NZ 3.03Å; Y120-K267 PolarHBondContact N-O 2.83Å; F189-K267 HydrophobicContact CD1-CB 4.08Å; F189-K267 HydrophobicContact CD1-CG 4.38Å; F189-K267 HydrophobicContact CD2-CB 3.66Å; F189-K267 HydrophobicContact CE1-CB 4.11Å; F189-K267 HydrophobicContact CE1-CD 4.28Å; F189-K267 HydrophobicContact CE1-CG 4.2Å; F189-K267 HydrophobicContact CE2-CB 3.67Å; F189-K267 HydrophobicContact CG-CB 3.86Å; F189-K267 HydrophobicContact CZ-CB 3.91Å; F189-K267 HydrophobicContact CZ-CD 4.07Å; F189-K267 HydrophobicContact CZ-CG 4.27Å; S222-K267 WeakPolarHBondContact O-CG 3.08Å
268V98.4Very high96.6Very high2 Ų240 Ų401%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-107.5129.5-175.3-174.10000110.5V109 Y112 Y120 P191 N216 V218 S222 Q266V109-V268 HydrophobicContact CB-CG2 4.08Å; V109-V268 HydrophobicContact CG1-CB 4.37Å; V109-V268 HydrophobicContact CG1-CG1 4.1Å; V109-V268 HydrophobicContact CG1-CG2 3.99Å; Y112-V268 HydrophobicContact CD2-CG1 4.37Å; Y112-V268 HydrophobicContact CD2-CG2 3.91Å; Y112-V268 HydrophobicContact CE2-CG1 4.05Å; Y112-V268 HydrophobicContact CE2-CG2 4.4Å; Y120-V268 CarbonylContact O-C 3.52Å; Y120-V268 WeakPolarHBondContact O-CA 3.46Å; P191-V268 HydrophobicContact CB-CB 4.48Å; P191-V268 HydrophobicContact CB-CG2 4.3Å; N216-V268 HydrophobicContact CB-CG1 3.85Å; N216-V268 VanDerWaalsContact CG-CG1 3.41Å; N216-V268 VanDerWaalsContact ND2-CG1 3.28Å; N216-V268 WeakPolarHBondContact ND2-CG1 3.11Å; V218-V268 HydrophobicContact CG1-CB 4.28Å; V218-V268 HydrophobicContact CG1-CG1 4.25Å; V218-V268 HydrophobicContact CG2-CB 4.26Å; V218-V268 HydrophobicContact CG2-CG1 4.02Å; S222-V268 WeakPolarHBondContact CB-O 3.18Å; Q266-V268 HydrophobicContact CB-CG2 3.64Å; Q266-V268 PolarHBondContact O-N 3.35Å
269V98.4Very high96.9Very high23 Ų2347.9 Ų47.914%0.13925%0.252CS..  trans-105.7131.4179.3-178.40000109.7E119 Y120 N216 R271E119-V269 HydrophobicContact CG-CG2 3.58Å; Y120-V269 PolarHBondContact O-N 2.98Å; N216-V269 PolarHBondContact ND2-O 3.48Å; V269-R271 HydrophobicContact CG1-CB 4.34Å; V269-R271 PolarHBondContact O-N 2.94Å
270P98.4Very high97.1Very high1 Ų149.3 Ų49.31%0.00626%0.258CS..  trans-83.852.8178.134.7-33.9000112.2N216 V218 P220 T273 L274 Y280N216-P270 HydrophobicContact CB-CB 4.49Å; V218-P270 HydrophobicContact CG2-CB 3.92Å; V218-P270 HydrophobicContact CG2-CG 4.09Å; P220-P270 HydrophobicContact CB-CG 4.31Å; P270-T273 PolarHBondContact O-N 3.31Å; P270-L274 HydrophobicContact CG-CD1 4.14Å; P270-L274 HydrophobicContact CG-CG 4.34Å; P270-L274 WeakPolarHBondContact O-CB 3.46Å; P270-L274 WeakPolarHBondContact O-CG 3.31Å; P270-L274 PolarHBondContact O-N 2.95Å; P270-Y280 VanDerWaalsContact CB-OH 3.26Å; P270-Y280 WeakPolarHBondContact CB-OH 3.47Å
271R98.6Very high97.4Very high133 Ų13351.7 Ų51.750%0.50228%0.276SS..Hα-helixtrans-62.3-53.7-170.2-174.1-174.3-61-74.5-5.6111.6D121 E122 V269 T273 A275D121-R271 HydrophobicContact CB-CB 4.11Å; D121-R271 IonicContact OD2-CZ 3.59Å; D121-R271 IonicContact OD2-NE 2.83Å; D121-R271 PolarHBondContact OD2-NE 3.27Å; E122-R271 PolarHBondContact OE1-N 2.86Å; E122-R271 PolarHBondContact OE2-N 3.17Å; V269-R271 HydrophobicContact CG1-CB 4.34Å; V269-R271 PolarHBondContact O-N 2.94Å; R271-T273 VanDerWaalsContact C-N 3.34Å; R271-A275 WeakPolarHBondContact O-CB 3.4Å; R271-A275 PolarHBondContact O-N 2.95Å
272R98.6Very high97.7Very high90 Ų9050 Ų5034%0.3427%0.267SS..Hα-helixtrans-68.1-37.6177.8-66.4-17865.9118.2-0.9111.3E122 D123 Q212 V214 L215 L274 A275 T276E122-R272 HydrophobicContact CB-CB 4.3Å; E122-R272 VanDerWaalsContact CB-CD 3.44Å; E122-R272 HydrophobicContact CB-CG 3.9Å; E122-R272 VanDerWaalsContact CD-N 3.29Å; E122-R272 HydrophobicContact CG-CB 3.98Å; E122-R272 HydrophobicContact CG-CG 4.14Å; E122-R272 PolarHBondContact OE1-N 3.03Å; E122-R272 PolarHBondContact OE2-N 2.82Å; D123-R272 IonicContact OD1-NH1 3.48Å; Q212-R272 PolarHBondContact O-NH2 2.76Å; Q212-R272 VanDerWaalsContact O-NH2 3.1Å; V214-R272 WeakPolarHBondContact O-CD 3.35Å; V214-R272 PolarHBondContact O-NE 3.39Å; L215-R272 HydrophobicContact CD2-CB 4Å; R272-L274 PolarHBondContact O-N 3.23Å; R272-A275 CarbonylContact O-C 3.52Å; R272-A275 PolarHBondContact O-N 3.26Å; R272-A275 VanDerWaalsContact O-N 3.14Å; R272-T276 WeakPolarHBondContact O-CG2 3.36Å; R272-T276 PolarHBondContact O-N 3.47Å
273T98.8Very high97.9Very high0 Ų050.7 Ų50.70%027%0.273CS..Hα-helixtrans-57-48.2176.9-51.20000111.8E122 I201 L215 N216 P270 R271 T276 Y278 Y280E122-T273 PolarHBondContact OE1-N 3.45Å; E122-T273 PolarHBondContact OE1-OG1 2.9Å; I201-T273 HydrophobicContact CD1-CG2 3.73Å; I201-T273 HydrophobicContact CG1-CG2 3.9Å; I201-T273 HydrophobicContact CG2-CG2 4.28Å; L215-T273 WeakPolarHBondContact CB-OG1 3.38Å; N216-T273 PolarHBondContact N-OG1 3.02Å; N216-T273 VanDerWaalsContact N-OG1 3.14Å; N216-T273 PolarHBondContact O-OG1 3.09Å; P270-T273 PolarHBondContact O-N 3.31Å; R271-T273 VanDerWaalsContact C-N 3.34Å; T273-T276 WeakPolarHBondContact O-CB 3.39Å; T273-T276 PolarHBondContact O-N 3.44Å; T273-T276 PolarHBondContact O-OG1 2.84Å; T273-Y278 HydrophobicContact CG2-CD1 4.48Å; T273-Y280 WeakPolarHBondContact CG2-OH 3.43Å
274L98.5Very high98Very high79 Ų7955.3 Ų55.341%0.41429%0.294SS..Hα-helixtrans-64.3-42.1173.6-70.4168.2000112P270 R272 T276 G277 Y280P270-L274 HydrophobicContact CG-CD1 4.14Å; P270-L274 HydrophobicContact CG-CG 4.34Å; P270-L274 WeakPolarHBondContact O-CB 3.46Å; P270-L274 WeakPolarHBondContact O-CG 3.31Å; P270-L274 PolarHBondContact O-N 2.95Å; R272-L274 PolarHBondContact O-N 3.23Å; L274-T276 PolarHBondContact O-N 3.06Å; L274-T276 VanDerWaalsContact O-N 3.14Å; L274-G277 PolarHBondContact O-N 2.76Å; L274-Y280 HydrophobicContact CD2-CD2 3.93Å; L274-Y280 HydrophobicContact CD2-CE2 3.6Å; L274-Y280 HydrophobicContact CG-CE2 4.25Å
275A98.4Very high98Very high85 Ų8551.4 Ų51.470%0.70228%0.276SS*.Hα-helixtrans-62.5-20.2178.400000113.5R271 R272 G277R271-A275 WeakPolarHBondContact O-CB 3.4Å; R271-A275 PolarHBondContact O-N 2.95Å; R272-A275 CarbonylContact O-C 3.52Å; R272-A275 PolarHBondContact O-N 3.26Å; R272-A275 VanDerWaalsContact O-N 3.14Å; A275-G277 PolarHBondContact O-N 2.68Å
276T98.5Very high98Very high18 Ų1853 Ų5311%0.1129%0.292CS..THydrogen-bonded Turntrans-69-12.7172.273.30000113.9H204 H210 V211 L215 R272 T273 L274 Y278H204-T276 PolarHBondContact CD2-OG1 3.47Å; H204-T276 WeakPolarHBondContact NE2-CB 3.3Å; H204-T276 PolarHBondContact NE2-O 3.37Å; H204-T276 PolarHBondContact NE2-OG1 2.96Å; H204-T276 VanDerWaalsContact NE2-OG1 3.08Å; H210-T276 PolarHBondContact NE2-O 2.91Å; V211-T276 HydrophobicContact CG1-CG2 4.04Å; V211-T276 HydrophobicContact CG2-CG2 3.92Å; L215-T276 HydrophobicContact CD1-CG2 4.46Å; L215-T276 HydrophobicContact CD2-CG2 3.72Å; R272-T276 WeakPolarHBondContact O-CG2 3.36Å; R272-T276 PolarHBondContact O-N 3.47Å; T273-T276 WeakPolarHBondContact O-CB 3.39Å; T273-T276 PolarHBondContact O-N 3.44Å; T273-T276 PolarHBondContact O-OG1 2.84Å; L274-T276 PolarHBondContact O-N 3.06Å; L274-T276 VanDerWaalsContact O-N 3.14Å; T276-Y278 PolarHBondContact OG1-N 3.09Å
277G98.4Very high98Very high52 Ų5254.3 Ų54.354%0.53631%0.307SS..THydrogen-bonded Turntrans89.26.7-172.800000114.3L274 A275L274-G277 PolarHBondContact O-N 2.76Å; A275-G277 PolarHBondContact O-N 2.68Å
278Y98.4Very high97.9Very high24 Ų2452.3 Ų52.39%0.09430%0.298CS..  trans-64.7135.5175.6-177.3-104.8000111.3D197 I201 H204 T273 T276 Y280D197-Y278 VanDerWaalsContact CA-OH 3.27Å; D197-Y278 WeakPolarHBondContact CA-OH 3.34Å; D197-Y278 PolarHBondContact O-OH 2.88Å; D197-Y278 PolarHBondContact OD1-OH 2.93Å; D197-Y278 VanDerWaalsContact OD1-OH 3.12Å; I201-Y278 HydrophobicContact CD1-CD1 4.36Å; I201-Y278 HydrophobicContact CD1-CE1 4.18Å; I201-Y278 HydrophobicContact CG1-CD1 3.57Å; I201-Y278 HydrophobicContact CG1-CD2 4.37Å; I201-Y278 HydrophobicContact CG1-CE1 3.45Å; I201-Y278 VanDerWaalsContact CG1-CE1 3.45Å; I201-Y278 HydrophobicContact CG1-CE2 4.3Å; I201-Y278 HydrophobicContact CG1-CG 4.04Å; H204-Y278 HydrophobicContact CB-CD2 3.8Å; H204-Y278 HydrophobicContact CB-CE2 4.48Å; T273-Y278 HydrophobicContact CG2-CD1 4.48Å; T276-Y278 PolarHBondContact OG1-N 3.09Å; Y278-Y280 AromaticContact CD1-CD2 3.95Å; Y278-Y280 HydrophobicContact CD1-CD2 3.95Å; Y278-Y280 AromaticContact CD1-CE2 3.82Å; Y278-Y280 HydrophobicContact CD1-CE2 3.82Å; Y278-Y280 HydrophobicContact CD1-CG 4.36Å; Y278-Y280 HydrophobicContact CE1-CD1 4.06Å; Y278-Y280 HydrophobicContact CE1-CD2 4.06Å; Y278-Y280 HydrophobicContact CE1-CE1 4.21Å; Y278-Y280 HydrophobicContact CE1-CE2 4.18Å; Y278-Y280 AromaticContact CE1-CG 3.99Å; Y278-Y280 HydrophobicContact CE1-CG 3.99Å
279Q98.3Very high97.8Very high167 Ų16752.2 Ų52.278%0.7830%0.297SS*.  trans-112.9124.1177.5-63.5-175.42.300109.9
280Y98.5Very high97.6Very high30 Ų3057.9 Ų57.912%0.11832%0.32CS..  trans-75.8133.4179.7-70.9-101.9000110.6I193 D197 I201 V218 P270 T273 L274 Y278I193-Y280 HydrophobicContact CD1-CE1 4.18Å; D197-Y280 HydrophobicContact CB-CD1 3.92Å; D197-Y280 HydrophobicContact CB-CE1 4.4Å; I201-Y280 HydrophobicContact CD1-CE1 4.23Å; V218-Y280 VanDerWaalsContact O-CE1 3.23Å; V218-Y280 WeakPolarHBondContact O-CE1 3.22Å; V218-Y280 VanDerWaalsContact O-CZ 3.27Å; V218-Y280 PolarHBondContact O-OH 3.44Å; P270-Y280 VanDerWaalsContact CB-OH 3.26Å; P270-Y280 WeakPolarHBondContact CB-OH 3.47Å; T273-Y280 WeakPolarHBondContact CG2-OH 3.43Å; L274-Y280 HydrophobicContact CD2-CD2 3.93Å; L274-Y280 HydrophobicContact CD2-CE2 3.6Å; L274-Y280 HydrophobicContact CG-CE2 4.25Å; Y278-Y280 AromaticContact CD1-CD2 3.95Å; Y278-Y280 HydrophobicContact CD1-CD2 3.95Å; Y278-Y280 AromaticContact CD1-CE2 3.82Å; Y278-Y280 HydrophobicContact CD1-CE2 3.82Å; Y278-Y280 HydrophobicContact CD1-CG 4.36Å; Y278-Y280 HydrophobicContact CE1-CD1 4.06Å; Y278-Y280 HydrophobicContact CE1-CD2 4.06Å; Y278-Y280 HydrophobicContact CE1-CE1 4.21Å; Y278-Y280 HydrophobicContact CE1-CE2 4.18Å; Y278-Y280 AromaticContact CE1-CG 3.99Å; Y278-Y280 HydrophobicContact CE1-CG 3.99Å
281S98Very high97.5Very high87 Ų8761.7 Ų61.761%0.60834%0.341SS*.SBendtrans-76.1-34.3169.1-55.90000111.1D197 P283D197-S281 WeakPolarHBondContact OD1-CB 3.49Å; D197-S281 PolarHBondContact OD1-N 2.89Å; S281-P283 VanDerWaalsContact C-CD 3.49Å
282F97.8Very high97.2Very high42 Ų4255.7 Ų55.718%0.18432%0.318CS..  trans-128.868.6-178.5-57.3-85.4000111.9W192 H194 D197 E284 A287 A288 D291W192-F282 WeakPolarHBondContact CH2-O 3.15Å; H194-F282 HydrophobicContact CB-CB 3.77Å; H194-F282 HydrophobicContact CB-CD2 3.96Å; H194-F282 HydrophobicContact CB-CG 4.11Å; H194-F282 AromaticContact CE1-CD2 3.71Å; H194-F282 AromaticContact CE1-CE2 3.47Å; H194-F282 VanDerWaalsContact CE1-CE2 3.47Å; H194-F282 WeakPolarHBondContact CE1-CE2 3.45Å; H194-F282 AromaticContact CG-CD2 3.49Å; H194-F282 VanDerWaalsContact CG-CD2 3.49Å; H194-F282 AromaticContact CG-CG 3.84Å; H194-F282 AromaticContact ND1-CD2 3.17Å; H194-F282 WeakPolarHBondContact ND1-CD2 3.29Å; H194-F282 AromaticContact ND1-CE2 3.37Å; H194-F282 WeakPolarHBondContact ND1-CE2 3.3Å; H194-F282 AromaticContact ND1-CG 3.98Å; D197-F282 WeakPolarHBondContact OD2-CA 3.31Å; D197-F282 WeakPolarHBondContact OD2-CB 3.35Å; D197-F282 PolarHBondContact OD2-N 3.06Å; F282-E284 VanDerWaalsContact C-N 3.27Å; F282-E284 PolarHBondContact O-N 3.47Å; F282-A287 HydrophobicContact CD1-CB 4.46Å; F282-A288 HydrophobicContact CB-CB 3.94Å; F282-A288 HydrophobicContact CG-CB 4.48Å; F282-D291 HydrophobicContact CD1-CB 4.4Å; F282-D291 HydrophobicContact CE1-CB 3.59Å; F282-D291 HydrophobicContact CZ-CB 3.93Å
283P97.4Very high96.8Very high43 Ų4352.3 Ų52.328%0.27931%0.308SS..  trans-68.7-27.7177.628.1-33.7000112.9P220 S281P220-P283 HydrophobicContact CG-CB 3.61Å; S281-P283 VanDerWaalsContact C-CD 3.49Å
284E96.9Very high96Very high122 Ų12256.8 Ų56.857%0.5735%0.345SS*.SBendtrans-102.4132.1-175.3-62.9-55.9142.300112.3F282 G286 A287 A288F282-E284 VanDerWaalsContact C-N 3.27Å; F282-E284 PolarHBondContact O-N 3.47Å; E284-G286 VanDerWaalsContact C-N 3.33Å; E284-G286 PolarHBondContact O-N 2.86Å; E284-A287 PolarHBondContact O-N 3.15Å; E284-A287 VanDerWaalsContact O-N 3.17Å; E284-A288 PolarHBondContact O-N 2.91Å; E284-A288 VanDerWaalsContact O-N 3.12Å
285L96.4Very high95.9Very high14 Ų1455.7 Ų55.77%0.07334%0.341CS..Hα-helixtrans-59.3-41.7-174.2-179.662.1000112.7L161 W192 T224 F229 A232 A287 A288 L289L161-L285 HydrophobicContact CD1-CD1 4.04Å; W192-L285 HydrophobicContact CD2-CD1 3.79Å; W192-L285 HydrophobicContact CE3-CD1 4.18Å; W192-L285 HydrophobicContact CG-CD1 4.26Å; W192-L285 HydrophobicContact CH2-CB 4.21Å; W192-L285 HydrophobicContact CH2-CD1 4.33Å; W192-L285 HydrophobicContact CZ2-CB 3.55Å; W192-L285 HydrophobicContact CZ2-CD1 3.93Å; W192-L285 HydrophobicContact CZ2-CG 4.34Å; W192-L285 VanDerWaalsContact CZ2-N 3.34Å; W192-L285 HydrophobicContact CZ3-CD1 4.43Å; T224-L285 HydrophobicContact CG2-CD2 3.56Å; F229-L285 HydrophobicContact CB-CD2 4.24Å; F229-L285 HydrophobicContact CD2-CD1 4.23Å; A232-L285 HydrophobicContact CB-CD2 3.96Å; A232-L285 HydrophobicContact CB-CG 4.24Å; L285-A287 VanDerWaalsContact C-N 3.32Å; L285-A287 PolarHBondContact O-N 3.49Å; L285-A288 PolarHBondContact O-N 3.38Å; L285-L289 HydrophobicContact CD1-CD1 3.78Å; L285-L289 HydrophobicContact CD1-CD2 4.43Å; L285-L289 HydrophobicContact CD1-CG 3.86Å; L285-L289 HydrophobicContact CD2-CD1 4.36Å; L285-L289 HydrophobicContact CG-CD1 3.77Å; L285-L289 HydrophobicContact CG-CG 4.23Å; L285-L289 WeakPolarHBondContact O-CB 3.44Å; L285-L289 WeakPolarHBondContact O-CG 3.45Å; L285-L289 PolarHBondContact O-N 3.21Å
286G95.9Very high95.7Very high37 Ų3754.2 Ų54.238%0.38132%0.322SS..Hα-helixtrans-62.5-38.1-179.700000113.1E284 K290E284-G286 VanDerWaalsContact C-N 3.33Å; E284-G286 PolarHBondContact O-N 2.86Å; G286-K290 WeakPolarHBondContact O-CB 3.41Å; G286-K290 VanDerWaalsContact O-CG 3.24Å; G286-K290 WeakPolarHBondContact O-CG 3.44Å; G286-K290 PolarHBondContact O-N 3.26Å; G286-K290 VanDerWaalsContact O-N 3.11Å
287A96.3Very high95.6Very high49 Ų4956.2 Ų56.241%0.40533%0.334SS..Hα-helixtrans-70.3-44.7176.800000111.1F282 E284 L285 L289 K290 D291F282-A287 HydrophobicContact CD1-CB 4.46Å; E284-A287 PolarHBondContact O-N 3.15Å; E284-A287 VanDerWaalsContact O-N 3.17Å; L285-A287 VanDerWaalsContact C-N 3.32Å; L285-A287 PolarHBondContact O-N 3.49Å; A287-L289 PolarHBondContact O-N 3.48Å; A287-K290 PolarHBondContact O-N 3.23Å; A287-D291 PolarHBondContact O-N 3.21Å; A287-D291 VanDerWaalsContact O-N 3.08Å
288A96.6Very high95.4Very high0 Ų056.4 Ų56.40%032%0.322CS..Hα-helixtrans-56.9-49175.600000111.6W192 H194 F282 E284 L285 K290 D291 I292W192-A288 HydrophobicContact CH2-CB 3.87Å; W192-A288 HydrophobicContact CZ3-CB 3.55Å; H194-A288 HydrophobicContact CB-CB 4.38Å; F282-A288 HydrophobicContact CB-CB 3.94Å; F282-A288 HydrophobicContact CG-CB 4.48Å; E284-A288 PolarHBondContact O-N 2.91Å; E284-A288 VanDerWaalsContact O-N 3.12Å; L285-A288 PolarHBondContact O-N 3.38Å; A288-K290 PolarHBondContact O-N 3.3Å; A288-D291 PolarHBondContact O-N 2.91Å; A288-I292 VanDerWaalsContact O-CD1 3.32Å; A288-I292 WeakPolarHBondContact O-CD1 3.41Å; A288-I292 WeakPolarHBondContact O-CG1 3.27Å; A288-I292 PolarHBondContact O-N 3.47Å; A288-I292 VanDerWaalsContact O-N 3.12Å
289L95.8Very high95.2Very high0 Ų058.4 Ų58.40%034%0.336CS..Hα-helixtrans-68.1-36.3-178.1-68.6176.6000112.6L161 I168 F229 A232 L233 A236 L285 A287 I292 V293L161-L289 HydrophobicContact CD1-CD2 4.21Å; I168-L289 HydrophobicContact CD1-CD2 3.9Å; F229-L289 HydrophobicContact CD2-CD1 4.46Å; F229-L289 HydrophobicContact CE2-CD2 4.07Å; A232-L289 HydrophobicContact CB-CD1 3.57Å; L233-L289 HydrophobicContact CB-CD1 4.14Å; L233-L289 HydrophobicContact CD1-CD2 4.3Å; A236-L289 HydrophobicContact CB-CB 4.09Å; L285-L289 HydrophobicContact CD1-CD1 3.78Å; L285-L289 HydrophobicContact CD1-CD2 4.43Å; L285-L289 HydrophobicContact CD1-CG 3.86Å; L285-L289 HydrophobicContact CD2-CD1 4.36Å; L285-L289 HydrophobicContact CG-CD1 3.77Å; L285-L289 HydrophobicContact CG-CG 4.23Å; L285-L289 WeakPolarHBondContact O-CB 3.44Å; L285-L289 WeakPolarHBondContact O-CG 3.45Å; L285-L289 PolarHBondContact O-N 3.21Å; A287-L289 PolarHBondContact O-N 3.48Å; L289-I292 HydrophobicContact CD2-CD1 4.48Å; L289-I292 PolarHBondContact O-N 3.23Å; L289-V293 WeakPolarHBondContact O-CG1 3.19Å; L289-V293 VanDerWaalsContact O-CG2 3.3Å; L289-V293 WeakPolarHBondContact O-CG2 3.32Å; L289-V293 PolarHBondContact O-N 2.72Å; L289-V293 VanDerWaalsContact O-N 3.09Å
290K95.3Very high95Very high142 Ų14251.2 Ų51.262%0.61731%0.307SS*.Hα-helixtrans-60.6-46173.7-79.2174.3-178.4179.30111.8A236 G286 A287 A288 I292 V293 A294A236-K290 HydrophobicContact CB-CG 4.48Å; G286-K290 WeakPolarHBondContact O-CB 3.41Å; G286-K290 VanDerWaalsContact O-CG 3.24Å; G286-K290 WeakPolarHBondContact O-CG 3.44Å; G286-K290 PolarHBondContact O-N 3.26Å; G286-K290 VanDerWaalsContact O-N 3.11Å; A287-K290 PolarHBondContact O-N 3.23Å; A288-K290 PolarHBondContact O-N 3.3Å; K290-I292 VanDerWaalsContact C-N 3.28Å; K290-I292 PolarHBondContact O-N 2.93Å; K290-V293 PolarHBondContact O-N 3.25Å; K290-A294 VanDerWaalsContact O-CB 3.25Å; K290-A294 WeakPolarHBondContact O-CB 3.11Å; K290-A294 PolarHBondContact O-N 3.11Å
291D95.6Very high94.8Very high82 Ų8252.7 Ų52.744%0.43932%0.32SS..Hα-helixtrans-58.4-42.3175.9-178.477.4000111.8H194 F282 A287 A288 V293H194-D291 IonicContact CE1-OD2 2.89Å; H194-D291 PolarHBondContact CE1-OD2 2.95Å; H194-D291 IonicContact NE2-OD2 3.2Å; H194-D291 PolarHBondContact NE2-OD2 3.23Å; F282-D291 HydrophobicContact CD1-CB 4.4Å; F282-D291 HydrophobicContact CE1-CB 3.59Å; F282-D291 HydrophobicContact CZ-CB 3.93Å; A287-D291 PolarHBondContact O-N 3.21Å; A287-D291 VanDerWaalsContact O-N 3.08Å; A288-D291 PolarHBondContact O-N 2.91Å; D291-V293 PolarHBondContact O-N 3.41Å
292I93.5Very high94.5Very high7 Ų750.1 Ų50.14%0.03630%0.298CS..Hα-helixtrans-69.1-36.6-176.1-67164.5000112.7L161 I168 A288 L289 K290L161-I292 HydrophobicContact CB-CD1 3.61Å; I168-I292 HydrophobicContact CD1-CD1 3.73Å; I168-I292 HydrophobicContact CD1-CG2 3.87Å; I168-I292 HydrophobicContact CG2-CG2 4Å; A288-I292 VanDerWaalsContact O-CD1 3.32Å; A288-I292 WeakPolarHBondContact O-CD1 3.41Å; A288-I292 WeakPolarHBondContact O-CG1 3.27Å; A288-I292 PolarHBondContact O-N 3.47Å; A288-I292 VanDerWaalsContact O-N 3.12Å; L289-I292 HydrophobicContact CD2-CD1 4.48Å; L289-I292 PolarHBondContact O-N 3.23Å; K290-I292 VanDerWaalsContact C-N 3.28Å; K290-I292 PolarHBondContact O-N 2.93Å
293V90.3Very high94.3Very high19 Ų1950.8 Ų50.812%0.11531%0.308CS..Hα-helixtrans-99.3-15.3-172.4-53.60000114.8L172 L233 A236 L237 L289 K290 D291L172-V293 HydrophobicContact CD1-CG1 4.15Å; L233-V293 HydrophobicContact CD1-CG1 4.01Å; A236-V293 HydrophobicContact CB-CG2 3.7Å; A236-V293 WeakPolarHBondContact O-CG2 3.4Å; L237-V293 HydrophobicContact CD2-CB 3.74Å; L237-V293 HydrophobicContact CD2-CG1 3.83Å; L237-V293 HydrophobicContact CD2-CG2 4.22Å; L237-V293 HydrophobicContact CG-CB 4.39Å; L237-V293 HydrophobicContact CG-CG1 4.16Å; L289-V293 WeakPolarHBondContact O-CG1 3.19Å; L289-V293 VanDerWaalsContact O-CG2 3.3Å; L289-V293 WeakPolarHBondContact O-CG2 3.32Å; L289-V293 PolarHBondContact O-N 2.72Å; L289-V293 VanDerWaalsContact O-N 3.09Å; K290-V293 PolarHBondContact O-N 3.25Å; D291-V293 PolarHBondContact O-N 3.41Å
294A81.3Confident94Very high94 Ų9451.5 Ų51.578%0.77731%0.31SS*.  trans-58.30169.900000110.9R163 K290R163-A294 PolarHBondContact NH1-OXT 2.84Å; R163-A294 PolarHBondContact NH2-O 3.47Å; R163-A294 PolarHBondContact NH2-OXT 2.89Å; K290-A294 VanDerWaalsContact O-CB 3.25Å; K290-A294 WeakPolarHBondContact O-CB 3.11Å; K290-A294 PolarHBondContact O-N 3.11Å

Retrieved 294 of 294 residues in 247.3 ms (Link to these results)

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