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GTP-binding nuclear protein Ran

GTPase involved in nucleocytoplasmic transport, participating both to the import and the export from the nucleus of proteins and RNAs. Switches between a cytoplasmic GDP- and a nuclear GTP-bound state by nucleotide exchange and GTP hydrolysis. Nuclear import receptors such as importin beta bind their substrates only in the absence of GTP-bound RAN and release them upon direct interaction with GTP-bound RAN, while export receptors behave in the opposite way. Thereby, RAN controls cargo loading and release by transport receptors in the proper compartment and ensures the directionality of the transport. Interaction with RANBP1 induces a conformation change in the complex formed by XPO1 and RAN that triggers the release of the nuclear export signal of cargo proteins. RAN (GTP-bound form) triggers microtubule assembly at mitotic chromosomes and is required for normal mitotic spindle assembly and chromosome segregation. Required for normal progress through mitosis.

AlphaFold DB , UniProt , Accession P38544, Species ONCVO (Onchocerca volvulus), Gene ran-1, Length 215 aa.

Structure Viewer
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(Predicted Aligned Error values between residue pairs)
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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
1M36Very low72.7Confident237 Ų23790.2 Ų90.2100%1.16754%0.538SS*.  0111.90-66.2176.8-168.700106T3M1-T3 PolarHBondContact O-N 3.24Å; M1-T3 VanDerWaalsContact O-N 3.11Å
2A41.6Very low74.8Confident104 Ų10483 Ų8386%0.8650%0.495SS*.  trans-64.6112.917700000108
3T43.7Very low76.6Confident110 Ų11076.6 Ų76.668%0.67546%0.456SS*.  trans-59.8137.6167.944.80000107.8M1 D5M1-T3 PolarHBondContact O-N 3.24Å; M1-T3 VanDerWaalsContact O-N 3.11Å; T3-D5 PolarHBondContact O-N 3.25Å
4G54.7Low78.1Confident52 Ų5271.2 Ų71.254%0.53642%0.424SS..THydrogen-bonded Turntrans-62.714.9-167.800000118.1
5D61.6Low79.3Confident154 Ų15466.5 Ų66.582%0.82440%0.396SS*.THydrogen-bonded Turntrans-89.4-11.8-177.3-76.2-25.2000114.5T3T3-D5 PolarHBondContact O-N 3.25Å
6D83.9Confident80.4Confident149 Ų14962.4 Ų62.480%0.79737%0.372SS*.  trans-108.326.3-174-154.921.3000114.4P8D6-P8 WeakPolarHBondContact O-CD 3.46Å
7I91.3Very high81.4Confident23 Ų2359.7 Ų59.712%0.11836%0.355CS..SBendtrans-81.7120.1176.2-58.6177.6000108.9T9 I50 Q57 R59I7-T9 PolarHBondContact O-N 3.29Å; I7-T9 PolarHBondContact O-OG1 3.3Å; I7-I50 HydrophobicContact CD1-CD1 4.4Å; I7-Q57 HydrophobicContact CD1-CB 4.28Å; I7-Q57 HydrophobicContact CG1-CB 4.39Å; I7-Q57 HydrophobicContact CG2-CB 4.05Å; I7-R59 HydrophobicContact CG2-CB 3.96Å
8P95Very high82.1Confident66 Ų6657.7 Ų57.743%0.42935%0.349SS..  trans-50.9115.7173.3-27.635.4000110.8D6 F10 R59D6-P8 WeakPolarHBondContact O-CD 3.46Å; P8-F10 HydrophobicContact CB-CE2 4.07Å; P8-F10 HydrophobicContact CB-CZ 4.45Å; P8-R59 PolarHBondContact O-N 2.88Å
9T96.5Very high82.7Confident48 Ų4856.3 Ų56.329%0.29435%0.348SS..EExtended strand (participates in β ladder)trans-116.8128-171.4-61.50000110I7 R59 N61I7-T9 PolarHBondContact O-N 3.29Å; I7-T9 PolarHBondContact O-OG1 3.3Å; T9-R59 CarbonylContact C-O 3.59Å; T9-R59 VanDerWaalsContact CA-O 3.29Å; T9-R59 WeakPolarHBondContact CA-O 3.48Å; T9-R59 HydrophobicContact CG2-CB 4.19Å; T9-R59 HydrophobicContact CG2-CG 4.19Å; T9-R59 PolarHBondContact OG1-NH1 2.89Å; T9-N61 WeakPolarHBondContact CG2-ND2 3.4Å
10F97.8Very high83.4Confident26 Ų2653.5 Ų53.511%0.11433%0.33CS..EExtended strand (participates in β ladder)trans-120.3137.2-179.2-58.8-84.7000111.2P8 L12 R59 F60 N61 Q83 L167 L168P8-F10 HydrophobicContact CB-CE2 4.07Å; P8-F10 HydrophobicContact CB-CZ 4.45Å; F10-L12 PolarHBondContact O-N 3.45Å; F10-R59 PolarHBondContact N-O 2.8Å; F10-F60 HydrophobicContact CB-CD1 3.76Å; F10-F60 HydrophobicContact CB-CE1 3.78Å; F10-F60 HydrophobicContact CD2-CE1 4.46Å; F10-F60 HydrophobicContact CG-CE1 4.4Å; F10-F60 CarbonylContact O-C 3.58Å; F10-F60 WeakPolarHBondContact O-CA 3.42Å; F10-N61 PolarHBondContact O-N 2.99Å; F10-Q83 VanDerWaalsContact CA-OE1 3.25Å; F10-Q83 HydrophobicContact CD1-CB 4.46Å; F10-L167 HydrophobicContact CB-CD1 4.12Å; F10-L167 HydrophobicContact CD1-CB 4.47Å; F10-L167 HydrophobicContact CD1-CD1 3.94Å; F10-L167 HydrophobicContact CD1-CD2 4.09Å; F10-L167 HydrophobicContact CD1-CG 4.41Å; F10-L167 HydrophobicContact CD2-CD1 4.29Å; F10-L167 HydrophobicContact CE1-CB 4.2Å; F10-L167 HydrophobicContact CE1-CD1 4.47Å; F10-L167 HydrophobicContact CE1-CD2 4.37Å; F10-L167 HydrophobicContact CG-CD1 3.85Å; F10-L167 HydrophobicContact CZ-CB 4.39Å; F10-L168 HydrophobicContact CE2-CD2 4.13Å; F10-L168 HydrophobicContact CZ-CD2 3.68Å
11K97.8Very high83.9Confident23 Ų2351.4 Ų51.410%0.132%0.32CS..EExtended strand (participates in β ladder)trans-77.3114.5169.5179.8168.9170.4172.20109.9W63 Y78 I80 Q83 C84K11-W63 HydrophobicContact CD-CD2 4.35Å; K11-W63 HydrophobicContact CD-CZ2 4.28Å; K11-W63 VanDerWaalsContact CE-CD2 3.49Å; K11-W63 HydrophobicContact CG-CG 4.38Å; K11-Y78 WeakPolarHBondContact CE-O 3.43Å; K11-Y78 PolarHBondContact NZ-O 2.78Å; K11-I80 WeakPolarHBondContact CE-O 3.28Å; K11-I80 PolarHBondContact NZ-O 3Å; K11-Q83 PolarHBondContact O-N 2.89Å; K11-C84 PolarHBondContact O-N 3.39Å
12L98.2Very high86.8Confident4 Ų440.5 Ų40.52%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-104.3118.8173.4-172.8158.5000108.9F10 L14 F60 N61 V62 W63 C84 I86 L163F10-L12 PolarHBondContact O-N 3.45Å; L12-L14 HydrophobicContact CD2-CB 4.2Å; L12-F60 HydrophobicContact CB-CB 4.23Å; L12-F60 HydrophobicContact CB-CD1 3.86Å; L12-F60 HydrophobicContact CB-CG 4.2Å; L12-F60 HydrophobicContact CD1-CB 4.42Å; L12-F60 HydrophobicContact CD1-CD1 4.01Å; L12-F60 HydrophobicContact CD1-CD2 4.08Å; L12-F60 HydrophobicContact CD1-CE1 4.26Å; L12-F60 HydrophobicContact CD1-CE2 4.31Å; L12-F60 HydrophobicContact CD1-CG 3.93Å; L12-F60 HydrophobicContact CD1-CZ 4.4Å; L12-N61 PolarHBondContact N-O 3.33Å; L12-V62 HydrophobicContact CB-CG2 4.27Å; L12-V62 HydrophobicContact CD1-CG2 4.49Å; L12-V62 HydrophobicContact CD2-CG1 3.95Å; L12-V62 HydrophobicContact CD2-CG2 4.29Å; L12-V62 CarbonylContact O-C 3.56Å; L12-V62 WeakPolarHBondContact O-CA 3.41Å; L12-W63 PolarHBondContact O-N 3.23Å; L12-C84 WeakPolarHBondContact CA-O 3.43Å; L12-I86 HydrophobicContact CD1-CD1 4.16Å; L12-I86 HydrophobicContact CD1-CG1 4.43Å; L12-I86 HydrophobicContact CD2-CB 4.49Å; L12-I86 HydrophobicContact CD2-CD1 4.23Å; L12-I86 HydrophobicContact CD2-CG1 4.2Å; L12-L163 HydrophobicContact CD1-CD1 3.63Å; L12-L163 HydrophobicContact CG-CD1 4.34Å
13V97.3Very high89.2Confident0 Ų036.2 Ų36.20%023%0.228CC..EExtended strand (participates in β ladder)trans-91.5122.3175.3-169.20000109.4V15 T65 Y79 C84 A85 I86 L107V13-V15 HydrophobicContact CG1-CG1 3.58Å; V13-T65 HydrophobicContact CG1-CG2 4.2Å; V13-Y79 HydrophobicContact CG1-CD1 3.51Å; V13-Y79 HydrophobicContact CG1-CE1 3.74Å; V13-C84 PolarHBondContact N-O 2.9Å; V13-A85 HydrophobicContact CB-CB 4.28Å; V13-A85 CarbonylContact O-C 3.57Å; V13-A85 WeakPolarHBondContact O-CA 3.38Å; V13-A85 VanDerWaalsContact O-CB 3.3Å; V13-A85 WeakPolarHBondContact O-CB 3.29Å; V13-I86 PolarHBondContact O-N 3.31Å; V13-L107 HydrophobicContact CB-CD1 4.35Å; V13-L107 HydrophobicContact CG1-CD1 4.37Å
14L97.5Very high91.5Very high1 Ų132.3 Ų32.31%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-106.4112.7177.8177.961.2000109.8L12 K22 F25 V26 V62 W63 T65 I86 M88L12-L14 HydrophobicContact CD2-CB 4.2Å; L14-K22 HydrophobicContact CD1-CB 4.43Å; L14-K22 HydrophobicContact CD1-CD 4.41Å; L14-K22 HydrophobicContact CD1-CG 4.09Å; L14-K22 HydrophobicContact CD2-CB 3.66Å; L14-K22 HydrophobicContact CD2-CG 4.22Å; L14-K22 HydrophobicContact CG-CB 3.86Å; L14-K22 HydrophobicContact CG-CD 4Å; L14-K22 HydrophobicContact CG-CG 3.88Å; L14-F25 HydrophobicContact CD2-CD1 4.46Å; L14-V26 HydrophobicContact CD2-CG2 3.35Å; L14-V62 HydrophobicContact CB-CG1 4.04Å; L14-V62 HydrophobicContact CD2-CG1 4.27Å; L14-W63 PolarHBondContact N-O 3.06Å; L14-T65 PolarHBondContact O-N 3.01Å; L14-T65 VanDerWaalsContact O-N 3.16Å; L14-T65 PolarHBondContact O-OG1 2.93Å; L14-I86 HydrophobicContact CD1-CB 3.69Å; L14-I86 HydrophobicContact CD1-CG2 3.63Å; L14-M88 HydrophobicContact CD1-CE 4.22Å
15V96.8Very high93.3Very high0 Ų030.1 Ų30.10%018%0.181CC..EExtended strand (participates in β ladder)trans-128.7166.5-172.6-55.40000112.4V13 K22 T65 Y79 I86 I87 M88 W103V13-V15 HydrophobicContact CG1-CG1 3.58Å; V15-K22 VanDerWaalsContact C-CD 3.46Å; V15-T65 HydrophobicContact CG1-CG2 4.41Å; V15-Y79 HydrophobicContact CG1-CD1 4.46Å; V15-Y79 HydrophobicContact CG1-CE1 3.5Å; V15-Y79 VanDerWaalsContact CG1-CE1 3.5Å; V15-I86 PolarHBondContact N-O 3.3Å; V15-I87 HydrophobicContact CG2-CB 4.18Å; V15-I87 HydrophobicContact CG2-CG1 3.68Å; V15-I87 HydrophobicContact CG2-CG2 4.26Å; V15-I87 WeakPolarHBondContact O-CA 3.47Å; V15-M88 PolarHBondContact O-N 3.46Å; V15-W103 HydrophobicContact CB-CD2 4.39Å; V15-W103 HydrophobicContact CB-CE3 3.76Å; V15-W103 HydrophobicContact CB-CZ3 4.15Å; V15-W103 HydrophobicContact CG1-CE3 4.43Å; V15-W103 HydrophobicContact CG2-CB 4.28Å; V15-W103 HydrophobicContact CG2-CE3 4.33Å
16G97.2Very high94.7Very high1 Ų122.8 Ų22.81%0.0114%0.141CC..  trans135167.5-177.800000111.7K22 G67 M88 W103G16-K22 WeakPolarHBondContact O-CE 3.4Å; G16-K22 PolarHBondContact O-NZ 2.92Å; G16-G67 WeakPolarHBondContact O-CA 3.46Å; G16-M88 WeakPolarHBondContact CA-O 3.5Å; G16-W103 VanDerWaalsContact C-CE2 3.4Å; G16-W103 VanDerWaalsContact C-CZ2 3.41Å; G16-W103 VanDerWaalsContact O-CZ2 3.3Å; G16-W103 WeakPolarHBondContact O-CZ2 3.28Å
17D96.2Very high94.9Very high17 Ų1717.7 Ų17.79%0.09111%0.112CC..  trans-55.5159.2-175.7-77.916.6000113.7T20 K22 G67 T96 N99 W103D17-T20 HydrophobicContact CB-CG2 3.85Å; D17-T20 WeakPolarHBondContact O-CG2 3.45Å; D17-T20 PolarHBondContact O-OG1 2.85Å; D17-K22 PolarHBondContact O-NZ 3.26Å; D17-G67 CarbonylContact C-O 3.54Å; D17-T96 HydrophobicContact CB-CG2 3.85Å; D17-T96 WeakPolarHBondContact OD2-CA 3.2Å; D17-N99 WeakPolarHBondContact OD1-CB 3.38Å; D17-N99 PolarHBondContact OD1-ND2 3.26Å; D17-N99 PolarHBondContact OD2-ND2 2.83Å; D17-W103 PolarHBondContact OD1-NE1 3.28Å
18G94.2Very high94.7Very high23 Ų2316.7 Ų16.724%0.23711%0.107CC..THydrogen-bonded Turntrans-58.1140.2169.900000111.3T20 G67G18-T20 VanDerWaalsContact C-N 3.3Å; G18-T20 PolarHBondContact O-N 2.84Å; G18-G67 PolarHBondContact N-O 2.79Å
19G93.6Very high93.9Very high32 Ų3214.4 Ų14.433%0.339%0.09SC..THydrogen-bonded Turntrans82.8-5176.800000115.6G21 Y38 F122G19-G21 PolarHBondContact O-N 3.49Å; G19-G21 VanDerWaalsContact O-N 3.1Å; G19-Y38 PolarHBondContact N-OH 2.83Å; G19-F122 WeakPolarHBondContact O-CE2 3.22Å
20T96.7Very high93Very high0 Ų015.2 Ų15.20%09%0.093CC..SBendtrans-69.6-6.9-179.859.50000114.8D17 G18 M88 D90 T96 N121D17-T20 HydrophobicContact CB-CG2 3.85Å; D17-T20 WeakPolarHBondContact O-CG2 3.45Å; D17-T20 PolarHBondContact O-OG1 2.85Å; G18-T20 VanDerWaalsContact C-N 3.3Å; G18-T20 PolarHBondContact O-N 2.84Å; T20-M88 PolarHBondContact OG1-O 2.9Å; T20-D90 HydrophobicContact CG2-CB 4.25Å; T20-T96 HydrophobicContact CG2-CG2 3.89Å; T20-N121 WeakPolarHBondContact O-CB 3.32Å; T20-N121 PolarHBondContact O-ND2 2.94Å
21G94.9Very high91.3Very high10 Ų1018.5 Ų18.510%0.10312%0.115CC..SBendtrans93.915175.900000115.9G19 T23 T24 F25 M88G19-G21 PolarHBondContact O-N 3.49Å; G19-G21 VanDerWaalsContact O-N 3.1Å; G21-T23 PolarHBondContact O-N 2.79Å; G21-T24 WeakPolarHBondContact O-CB 3.44Å; G21-T24 PolarHBondContact O-N 3.31Å; G21-F25 WeakPolarHBondContact O-CB 3.37Å; G21-F25 PolarHBondContact O-N 3.04Å; G21-M88 VanDerWaalsContact C-SD 3.6Å
22K95.4Very high89.4Confident8 Ų818.2 Ų18.24%0.03512%0.119CC..Hα-helixtrans-50.2-56.3177.3-65-175.8-54.5-70.40113.1L14 V15 G16 D17 T24 F25 V26 D64 T65 M88L14-K22 HydrophobicContact CD1-CB 4.43Å; L14-K22 HydrophobicContact CD1-CD 4.41Å; L14-K22 HydrophobicContact CD1-CG 4.09Å; L14-K22 HydrophobicContact CD2-CB 3.66Å; L14-K22 HydrophobicContact CD2-CG 4.22Å; L14-K22 HydrophobicContact CG-CB 3.86Å; L14-K22 HydrophobicContact CG-CD 4Å; L14-K22 HydrophobicContact CG-CG 3.88Å; V15-K22 VanDerWaalsContact C-CD 3.46Å; G16-K22 WeakPolarHBondContact O-CE 3.4Å; G16-K22 PolarHBondContact O-NZ 2.92Å; D17-K22 PolarHBondContact O-NZ 3.26Å; K22-T24 VanDerWaalsContact C-N 3.33Å; K22-T24 PolarHBondContact O-N 3.48Å; K22-F25 WeakPolarHBondContact O-CB 3.13Å; K22-F25 PolarHBondContact O-N 2.98Å; K22-F25 VanDerWaalsContact O-N 3.13Å; K22-V26 WeakPolarHBondContact O-CG2 3.43Å; K22-V26 PolarHBondContact O-N 3.02Å; K22-D64 WeakPolarHBondContact CB-OD1 3.31Å; K22-T65 WeakPolarHBondContact CE-O 3.49Å; K22-M88 HydrophobicContact CG-CB 4.04Å; K22-M88 HydrophobicContact CG-SD 4.08Å; K22-M88 PolarHBondContact N-SD 3.5Å
23T93Very high87.4Confident13 Ų1323.7 Ų23.78%0.0815%0.148CC..Hα-helixtrans-61.3-40.9179.5-47.90000112.1G21 F25 V26 K27 T41 D64G21-T23 PolarHBondContact O-N 2.79Å; T23-F25 VanDerWaalsContact C-N 3.34Å; T23-F25 PolarHBondContact O-N 2.68Å; T23-V26 PolarHBondContact O-N 3.12Å; T23-K27 HydrophobicContact CG2-CD 3.85Å; T23-K27 VanDerWaalsContact CG2-CE 3.47Å; T23-K27 HydrophobicContact CG2-CG 4.28Å; T23-K27 WeakPolarHBondContact O-CB 3.38Å; T23-K27 WeakPolarHBondContact O-CG 3.39Å; T23-K27 PolarHBondContact O-N 3.41Å; T23-T41 PolarHBondContact OG1-OG1 3.38Å; T23-D64 WeakPolarHBondContact CA-OD2 3.2Å; T23-D64 VanDerWaalsContact CB-OD2 3.3Å; T23-D64 WeakPolarHBondContact CB-OD2 3.4Å; T23-D64 PolarHBondContact OG1-OD2 2.81Å
24T92.1Very high85.4Confident29 Ų2925.6 Ų25.618%0.17816%0.16CC..Hα-helixtrans-61.3-42.3174.9-500000111.8G21 K22 V26 R28 A150G21-T24 WeakPolarHBondContact O-CB 3.44Å; G21-T24 PolarHBondContact O-N 3.31Å; K22-T24 VanDerWaalsContact C-N 3.33Å; K22-T24 PolarHBondContact O-N 3.48Å; T24-V26 VanDerWaalsContact C-N 3.34Å; T24-V26 PolarHBondContact O-N 2.95Å; T24-R28 WeakPolarHBondContact O-CB 3.45Å; T24-R28 WeakPolarHBondContact O-CG 3.42Å; T24-R28 PolarHBondContact O-N 3.07Å; T24-R28 VanDerWaalsContact O-N 3.1Å; T24-A150 HydrophobicContact CG2-CB 4.1Å
25F92.7Very high83.7Confident6 Ų628.2 Ų28.23%0.02617%0.173CC..Hα-helixtrans-62.4-39.5176.6176.2-96.4000112.2L14 G21 K22 T23 H29 I86 M88 I148 A150 F156L14-F25 HydrophobicContact CD2-CD1 4.46Å; G21-F25 WeakPolarHBondContact O-CB 3.37Å; G21-F25 PolarHBondContact O-N 3.04Å; K22-F25 WeakPolarHBondContact O-CB 3.13Å; K22-F25 PolarHBondContact O-N 2.98Å; K22-F25 VanDerWaalsContact O-N 3.13Å; T23-F25 VanDerWaalsContact C-N 3.34Å; T23-F25 PolarHBondContact O-N 2.68Å; F25-H29 AromaticContact CZ-CE1 3.75Å; F25-H29 PolarHBondContact O-ND1 3.27Å; F25-I86 HydrophobicContact CE1-CD1 4.02Å; F25-I86 HydrophobicContact CZ-CD1 4.37Å; F25-M88 HydrophobicContact CB-CE 3.81Å; F25-M88 HydrophobicContact CD1-CE 4.15Å; F25-M88 HydrophobicContact CD2-CE 4.27Å; F25-M88 HydrophobicContact CG-CE 3.82Å; F25-I148 HydrophobicContact CD2-CD1 3.89Å; F25-I148 HydrophobicContact CE2-CD1 4.06Å; F25-A150 HydrophobicContact CB-CB 4.44Å; F25-F156 AromaticContact CD2-CD2 3.68Å; F25-F156 HydrophobicContact CD2-CD2 3.68Å; F25-F156 AromaticContact CD2-CE2 3.41Å; F25-F156 HydrophobicContact CD2-CE2 3.41Å; F25-F156 VanDerWaalsContact CD2-CE2 3.41Å; F25-F156 HydrophobicContact CD2-CZ 4.22Å; F25-F156 AromaticContact CE2-CD2 3.69Å; F25-F156 HydrophobicContact CE2-CD2 3.69Å; F25-F156 AromaticContact CE2-CE2 3.76Å; F25-F156 HydrophobicContact CE2-CE2 3.76Å; F25-F156 HydrophobicContact CE2-CG 4.25Å; F25-F156 HydrophobicContact CE2-CZ 4.38Å; F25-F156 HydrophobicContact CG-CE2 4.16Å; F25-F156 WeakPolarHBondContact O-CZ 3.32Å
26V91.8Very high82.3Confident0 Ų037.6 Ų37.60%021%0.213CC..Hα-helixtrans-73.4-48.9177.3179.60000111.8L14 K22 T23 T24 R28 H29 L30 H47 V62 D64L14-V26 HydrophobicContact CD2-CG2 3.35Å; K22-V26 WeakPolarHBondContact O-CG2 3.43Å; K22-V26 PolarHBondContact O-N 3.02Å; T23-V26 PolarHBondContact O-N 3.12Å; T24-V26 VanDerWaalsContact C-N 3.34Å; T24-V26 PolarHBondContact O-N 2.95Å; V26-R28 VanDerWaalsContact C-N 3.27Å; V26-R28 PolarHBondContact O-N 3.49Å; V26-H29 WeakPolarHBondContact O-CB 3.45Å; V26-H29 PolarHBondContact O-N 3.38Å; V26-L30 HydrophobicContact CG1-CD1 4.41Å; V26-L30 PolarHBondContact O-N 2.81Å; V26-H47 HydrophobicContact CG1-CB 3.4Å; V26-H47 VanDerWaalsContact CG1-CB 3.4Å; V26-H47 VanDerWaalsContact CG1-CG 3.43Å; V26-V62 HydrophobicContact CG1-CG1 4.5Å; V26-V62 HydrophobicContact CG2-CG1 3.65Å; V26-D64 HydrophobicContact CG2-CB 4.43Å
27K87.3Confident81.4Confident42 Ų4245.8 Ų45.818%0.18325%0.249CC..Hα-helixtrans-63.2-33.1-176.1-72.6-175.7-179.9179.60112.8T23 H29 L30 T31 E35T23-K27 HydrophobicContact CG2-CD 3.85Å; T23-K27 VanDerWaalsContact CG2-CE 3.47Å; T23-K27 HydrophobicContact CG2-CG 4.28Å; T23-K27 WeakPolarHBondContact O-CB 3.38Å; T23-K27 WeakPolarHBondContact O-CG 3.39Å; T23-K27 PolarHBondContact O-N 3.41Å; K27-H29 PolarHBondContact O-N 3.48Å; K27-L30 PolarHBondContact O-N 2.75Å; K27-T31 PolarHBondContact O-N 3.35Å; K27-T31 VanDerWaalsContact O-N 3.12Å; K27-T31 PolarHBondContact O-OG1 3.08Å; K27-E35 HydrophobicContact CD-CG 3.79Å; K27-E35 IonicContact NZ-OE1 2.57Å; K27-E35 PolarHBondContact NZ-OE1 3.44Å; K27-E35 IonicContact NZ-OE2 3.9Å
28R86Confident80.6Confident1 Ų151.6 Ų51.60%0.00427%0.27CS..Hα-helixtrans-61.6-25.9172.7-82.5-172.6155.6-123.5-14.4114.3T24 V26 A150 K151 N153 F156 A182 P183 E185T24-R28 WeakPolarHBondContact O-CB 3.45Å; T24-R28 WeakPolarHBondContact O-CG 3.42Å; T24-R28 PolarHBondContact O-N 3.07Å; T24-R28 VanDerWaalsContact O-N 3.1Å; V26-R28 VanDerWaalsContact C-N 3.27Å; V26-R28 PolarHBondContact O-N 3.49Å; R28-A150 WeakPolarHBondContact CD-O 3.4Å; R28-A150 PolarHBondContact NE-O 3.13Å; R28-A150 VanDerWaalsContact NE-O 3.09Å; R28-A150 PolarHBondContact NH1-O 3.18Å; R28-K151 VanDerWaalsContact CZ-O 3.27Å; R28-K151 PolarHBondContact NH1-O 2.91Å; R28-K151 PolarHBondContact NH2-O 2.84Å; R28-K151 VanDerWaalsContact NH2-O 3.14Å; R28-N153 VanDerWaalsContact NH1-CG 3.34Å; R28-N153 PolarHBondContact NH1-OD1 3.28Å; R28-F156 HydrophobicContact CB-CE1 4.49Å; R28-F156 HydrophobicContact CB-CE2 3.99Å; R28-F156 HydrophobicContact CB-CZ 3.55Å; R28-A182 HydrophobicContact CG-CB 4.09Å; R28-P183 PolarHBondContact NH2-O 3.18Å; R28-E185 IonicContact CZ-OE1 3.72Å; R28-E185 IonicContact NE-OE1 3.41Å; R28-E185 PolarHBondContact NE-OE1 3.41Å; R28-E185 IonicContact NH2-OE1 2.82Å; R28-E185 PolarHBondContact NH2-OE1 2.87Å
29H80Confident80Confident19 Ų1955 Ų559%0.08829%0.286CS..Hα-helixtrans-79.8-24.7171.8-76.294.5000113.5F25 V26 K27 L49 F51 F156F25-H29 AromaticContact CZ-CE1 3.75Å; F25-H29 PolarHBondContact O-ND1 3.27Å; V26-H29 WeakPolarHBondContact O-CB 3.45Å; V26-H29 PolarHBondContact O-N 3.38Å; K27-H29 PolarHBondContact O-N 3.48Å; H29-L49 HydrophobicContact CB-CD1 3.73Å; H29-L49 HydrophobicContact CB-CD2 3.66Å; H29-L49 HydrophobicContact CB-CG 4.28Å; H29-F51 AromaticContact CD2-CE1 3.81Å; H29-F51 AromaticContact CD2-CZ 3.66Å; H29-F51 AromaticContact NE2-CE1 3.68Å; H29-F51 AromaticContact NE2-CZ 3.61Å; H29-F156 AromaticContact CD2-CE1 3.58Å; H29-F156 AromaticContact CE1-CD1 3.52Å; H29-F156 AromaticContact CE1-CE1 2.88Å; H29-F156 WeakPolarHBondContact CE1-CE1 3.35Å; H29-F156 AromaticContact CE1-CZ 3.22Å; H29-F156 WeakPolarHBondContact CE1-CZ 3.48Å; H29-F156 AromaticContact CG-CE1 3.47Å; H29-F156 VanDerWaalsContact CG-CE1 3.47Å; H29-F156 AromaticContact CG-CZ 3.8Å; H29-F156 AromaticContact ND1-CE1 3.06Å; H29-F156 WeakPolarHBondContact ND1-CE1 3.34Å; H29-F156 AromaticContact ND1-CZ 3.06Å; H29-F156 WeakPolarHBondContact ND1-CZ 3.18Å; H29-F156 AromaticContact NE2-CD1 3.65Å; H29-F156 AromaticContact NE2-CE1 3.23Å; H29-F156 WeakPolarHBondContact NE2-CE1 3.36Å
30L75.8Confident79.6Confident65 Ų6555 Ų5534%0.3428%0.283SS..Hα-helixtrans-93.2-61.1-170.3-78.4178.9000113.8V26 K27 H47 P48 L49V26-L30 HydrophobicContact CG1-CD1 4.41Å; V26-L30 PolarHBondContact O-N 2.81Å; K27-L30 PolarHBondContact O-N 2.75Å; L30-H47 HydrophobicContact CD1-CB 3.8Å; L30-H47 WeakPolarHBondContact CD1-ND1 3.28Å; L30-P48 WeakPolarHBondContact CD2-O 3.43Å; L30-L49 HydrophobicContact CD2-CD2 3.43Å; L30-L49 VanDerWaalsContact CD2-CD2 3.43Å; L30-L49 HydrophobicContact CG-CD2 3.58Å
31T63Low78.9Confident94 Ų9455.6 Ų55.658%0.57729%0.287SS*.THydrogen-bonded Turntrans-107.6-14.3-16455.70000112.3K27 D33K27-T31 PolarHBondContact O-N 3.35Å; K27-T31 VanDerWaalsContact O-N 3.12Å; K27-T31 PolarHBondContact O-OG1 3.08Å; T31-D33 PolarHBondContact O-N 3.14Å; T31-D33 VanDerWaalsContact O-N 3.08Å; T31-D33 PolarHBondContact OG1-N 3.43Å
32G57.7Low78.4Confident18 Ų1861.3 Ų61.319%0.18631%0.314CS..SBendtrans64.71-166.700000113.7A182G32-A182 WeakPolarHBondContact O-CA 3.46Å; G32-A182 WeakPolarHBondContact O-CB 3.32Å
33D55.5Low78Confident119 Ų11961.4 Ų61.464%0.63632%0.317SS*.  trans-99.5117.6-178.1-98.6-26.8000110.6T31T31-D33 PolarHBondContact O-N 3.14Å; T31-D33 VanDerWaalsContact O-N 3.08Å; T31-D33 PolarHBondContact OG1-N 3.43Å
34P55.9Low77.9Confident40 Ų4062.6 Ų62.626%0.2633%0.325SS..  trans-76.6136.3-179.230.7-34.5000112K36 E185P34-K36 PolarHBondContact O-N 3.22Å; P34-E185 HydrophobicContact CB-CG 4.35Å; P34-E185 WeakPolarHBondContact CB-OE1 3.07Å; P34-E185 HydrophobicContact CG-CG 4.42Å
35E61.8Low77.9Confident56 Ų5664.6 Ų64.626%0.26233%0.332SS..  trans-70.8108.5166.3-78.9-169.2148.500110.3K27 K37K27-E35 HydrophobicContact CD-CG 3.79Å; K27-E35 IonicContact NZ-OE1 2.57Å; K27-E35 PolarHBondContact NZ-OE1 3.44Å; K27-E35 IonicContact NZ-OE2 3.9Å; E35-K37 VanDerWaalsContact C-N 3.25Å; E35-K37 PolarHBondContact O-N 3.1Å
36K67.9Low77.9Confident196 Ų19667.7 Ų67.785%0.85235%0.351SS*.SBendtrans-72-15.9179.2-64.3-176.5-179.8177.90114.1P34P34-K36 PolarHBondContact O-N 3.22Å
37K77.8Confident78Confident173 Ų17368.8 Ų68.875%0.75236%0.356SS*.SBendtrans-132.4138.3-177.9-67.4-175.3179.8-179.50109.5E35 V39E35-K37 VanDerWaalsContact C-N 3.25Å; E35-K37 PolarHBondContact O-N 3.1Å; K37-V39 PolarHBondContact O-N 2.95Å
38Y79.8Confident78.3Confident140 Ų14070.1 Ų70.155%0.54937%0.369SS..  trans-66.1119.7172.5176.7-110.8000110G19 A40 Q68G19-Y38 PolarHBondContact N-OH 2.83Å; Y38-A40 HydrophobicContact CE1-CB 4.09Å; Y38-Q68 PolarHBondContact OH-NE2 2.59Å; Y38-Q68 VanDerWaalsContact OH-NE2 3.09Å
39V82.5Confident78.5Confident94 Ų9470.4 Ų70.457%0.5737%0.371SS*.  trans-118.6123.9167.2-177.90000106.6K37 T41K37-V39 PolarHBondContact O-N 2.95Å; V39-T41 PolarHBondContact O-N 3.42Å
40A84.8Confident79.1Confident32 Ų3272.8 Ų72.826%0.26438%0.383SS..  trans-71125.9-179.700000110.3Y38 L42 Q68Y38-A40 HydrophobicContact CE1-CB 4.09Å; A40-L42 PolarHBondContact O-N 3.22Å; A40-Q68 HydrophobicContact CB-CG 4.38Å
41T81.2Confident79.9Confident13 Ų1369.8 Ų69.88%0.0837%0.368CS..  trans-55.9134.6170.6-39.60000110.2T23 V39 E45 A66T23-T41 PolarHBondContact OG1-OG1 3.38Å; V39-T41 PolarHBondContact O-N 3.42Å; T41-E45 HydrophobicContact CG2-CG 4.05Å; T41-A66 WeakPolarHBondContact O-CB 3.31Å
42L85Confident81.3Confident130 Ų13069.2 Ų69.268%0.68136%0.358SS*.  trans-101109.6176-59.9179.1000108.8A40 V44 F71A40-L42 PolarHBondContact O-N 3.22Å; L42-V44 PolarHBondContact O-N 3.42Å; L42-V44 VanDerWaalsContact O-N 3.09Å; L42-F71 HydrophobicContact CD2-CE1 4.33Å; L42-F71 HydrophobicContact CD2-CE2 3.91Å; L42-F71 HydrophobicContact CD2-CZ 3.45Å; L42-F71 VanDerWaalsContact CD2-CZ 3.45Å
43G86.8Confident83Confident9 Ų968.7 Ų68.79%0.09335%0.351CS..SBendtrans70.8-100.3-177.300000112.6A66 Y78G43-A66 WeakPolarHBondContact O-CB 3.45Å; G43-A66 PolarHBondContact O-N 2.89Å; G43-Y78 VanDerWaalsContact CA-OH 3.25Å; G43-Y78 WeakPolarHBondContact CA-OH 3.37Å
44V90.7Very high84.9Confident39 Ų3965.7 Ų65.724%0.23634%0.335CS..EExtended strand (participates in β ladder)trans-145.5141.6179.8680000111.4L42 V46 W63 D64 T65 Y78L42-V44 PolarHBondContact O-N 3.42Å; L42-V44 VanDerWaalsContact O-N 3.09Å; V44-V46 HydrophobicContact CG2-CG2 4.46Å; V44-W63 HydrophobicContact CG1-CE3 4.4Å; V44-W63 HydrophobicContact CG2-CB 3.88Å; V44-W63 HydrophobicContact CG2-CD2 4.29Å; V44-W63 HydrophobicContact CG2-CE3 3.87Å; V44-W63 HydrophobicContact CG2-CG 4.36Å; V44-D64 VanDerWaalsContact CA-O 3.31Å; V44-D64 WeakPolarHBondContact CA-O 3.44Å; V44-D64 WeakPolarHBondContact CG2-O 3.25Å; V44-T65 HydrophobicContact CG2-CG2 4.33Å; V44-Y78 HydrophobicContact CB-CD1 3.84Å; V44-Y78 HydrophobicContact CB-CD2 4.36Å; V44-Y78 HydrophobicContact CB-CE1 3.81Å; V44-Y78 HydrophobicContact CB-CE2 4.34Å; V44-Y78 HydrophobicContact CB-CG 4.13Å; V44-Y78 HydrophobicContact CG1-CD1 3.53Å; V44-Y78 HydrophobicContact CG1-CE1 3.31Å; V44-Y78 HydrophobicContact CG1-CG 4.32Å; V44-Y78 HydrophobicContact CG2-CD1 4.49Å
45E92.2Very high86.8Confident71 Ų7170.5 Ų70.533%0.33235%0.348SS..EExtended strand (participates in β ladder)trans-115136.9163.4-66.8-177.9-173.400109.5T41 H47 D64T41-E45 HydrophobicContact CG2-CG 4.05Å; E45-H47 WeakPolarHBondContact CB-NE2 3.42Å; E45-H47 IonicContact OE2-CE1 3.93Å; E45-H47 PolarHBondContact OE2-CE1 2.91Å; E45-H47 IonicContact OE2-NE2 3.63Å; E45-H47 PolarHBondContact OE2-NE2 3.26Å; E45-H47 VanDerWaalsContact OE2-NE2 3.11Å; E45-D64 PolarHBondContact N-O 2.87Å; E45-D64 PolarHBondContact O-N 2.89Å
46V93.7Very high88.3Confident70 Ų7069.7 Ų69.742%0.42436%0.355SS..EExtended strand (participates in β ladder)trans-108.2123.1-178.6-175.70000110.3V44 N61 V62 W63V44-V46 HydrophobicContact CG2-CG2 4.46Å; V46-N61 HydrophobicContact CG1-CB 4.29Å; V46-V62 WeakPolarHBondContact CA-O 3.33Å; V46-W63 HydrophobicContact CG2-CD2 3.9Å; V46-W63 HydrophobicContact CG2-CE3 4.46Å; V46-W63 HydrophobicContact CG2-CG 4.07Å; V46-W63 HydrophobicContact CG2-CZ2 4.31Å
47H93.1Very high89.6Confident23 Ų2364.3 Ų64.311%0.10633%0.333CS..EExtended strand (participates in β ladder)trans-124.7112.4-171-66.2-74.5000110.4V26 L30 E45 L49 V62V26-H47 HydrophobicContact CG1-CB 3.4Å; V26-H47 VanDerWaalsContact CG1-CB 3.4Å; V26-H47 VanDerWaalsContact CG1-CG 3.43Å; L30-H47 HydrophobicContact CD1-CB 3.8Å; L30-H47 WeakPolarHBondContact CD1-ND1 3.28Å; E45-H47 WeakPolarHBondContact CB-NE2 3.42Å; E45-H47 IonicContact OE2-CE1 3.93Å; E45-H47 PolarHBondContact OE2-CE1 2.91Å; E45-H47 IonicContact OE2-NE2 3.63Å; E45-H47 PolarHBondContact OE2-NE2 3.26Å; E45-H47 VanDerWaalsContact OE2-NE2 3.11Å; H47-L49 PolarHBondContact O-N 2.94Å; H47-V62 HydrophobicContact CB-CB 4.44Å; H47-V62 PolarHBondContact N-O 3.49Å; H47-V62 PolarHBondContact O-N 3.03Å
48P92.7Very high90.4Very high71 Ų7156.2 Ų56.246%0.46130%0.298SS..EExtended strand (participates in β ladder)trans-76.9113.917629.8-32.1000110.5L30 R59 F60L30-P48 WeakPolarHBondContact CD2-O 3.43Å; P48-R59 HydrophobicContact CB-CG 4.41Å; P48-F60 CarbonylContact C-O 3.58Å; P48-F60 WeakPolarHBondContact CA-O 3.33Å
49L91.7Very high91.1Very high7 Ų752.2 Ų52.24%0.03728%0.282CS..EExtended strand (participates in β ladder)trans-107.1121175.3-55.7-169.8000109.9H29 L30 H47 F51 R59 F60 V62H29-L49 HydrophobicContact CB-CD1 3.73Å; H29-L49 HydrophobicContact CB-CD2 3.66Å; H29-L49 HydrophobicContact CB-CG 4.28Å; L30-L49 HydrophobicContact CD2-CD2 3.43Å; L30-L49 VanDerWaalsContact CD2-CD2 3.43Å; L30-L49 HydrophobicContact CG-CD2 3.58Å; H47-L49 PolarHBondContact O-N 2.94Å; L49-F51 HydrophobicContact CB-CE2 3.69Å; L49-F51 HydrophobicContact CB-CZ 4.27Å; L49-F51 HydrophobicContact CD1-CE2 4.47Å; L49-F51 HydrophobicContact CD1-CZ 4.38Å; L49-R59 CarbonylContact O-C 3.6Å; L49-R59 VanDerWaalsContact O-CA 3.3Å; L49-R59 WeakPolarHBondContact O-CA 3.37Å; L49-F60 PolarHBondContact N-O 3.06Å; L49-F60 PolarHBondContact O-N 3.27Å; L49-V62 HydrophobicContact CD1-CG2 3.6Å; L49-V62 HydrophobicContact CG-CG2 3.81Å
50I91.3Very high91.8Very high68 Ų6847.8 Ų47.835%0.34926%0.255SS..EExtended strand (participates in β ladder)trans-101.5126.9178.1-61.4175.6000109.5I7 Q57 I58 R59I7-I50 HydrophobicContact CD1-CD1 4.4Å; I50-Q57 HydrophobicContact CG2-CB 4.24Å; I50-Q57 HydrophobicContact CG2-CG 4.18Å; I50-I58 WeakPolarHBondContact CA-O 3.41Å; I50-R59 HydrophobicContact CG1-CB 4.42Å; I50-R59 HydrophobicContact CG1-CG 4.19Å
51F92.1Very high92.3Very high3 Ų348.8 Ų48.81%0.01326%0.256CS..EExtended strand (participates in β ladder)trans-111.8140.5174-60.8-97.6000109.7H29 L49 Q57 I58 F60 F175 P179H29-F51 AromaticContact CD2-CE1 3.81Å; H29-F51 AromaticContact CD2-CZ 3.66Å; H29-F51 AromaticContact NE2-CE1 3.68Å; H29-F51 AromaticContact NE2-CZ 3.61Å; L49-F51 HydrophobicContact CB-CE2 3.69Å; L49-F51 HydrophobicContact CB-CZ 4.27Å; L49-F51 HydrophobicContact CD1-CE2 4.47Å; L49-F51 HydrophobicContact CD1-CZ 4.38Å; F51-Q57 WeakPolarHBondContact O-CA 3.15Å; F51-I58 HydrophobicContact CB-CD1 4Å; F51-I58 HydrophobicContact CB-CG1 3.73Å; F51-I58 PolarHBondContact N-O 3.02Å; F51-I58 PolarHBondContact O-N 3.39Å; F51-F60 HydrophobicContact CD2-CD2 4.01Å; F51-F60 AromaticContact CE2-CD2 3.66Å; F51-F60 HydrophobicContact CE2-CD2 3.66Å; F51-F60 HydrophobicContact CE2-CE2 4.41Å; F51-F175 HydrophobicContact CB-CD1 4.11Å; F51-F175 HydrophobicContact CB-CE1 3.67Å; F51-F175 HydrophobicContact CB-CZ 4.09Å; F51-F175 HydrophobicContact CD1-CD1 4.5Å; F51-F175 HydrophobicContact CD1-CD2 4.25Å; F51-F175 AromaticContact CD1-CE1 3.96Å; F51-F175 HydrophobicContact CD1-CE1 3.96Å; F51-F175 AromaticContact CD1-CE2 3.66Å; F51-F175 HydrophobicContact CD1-CE2 3.66Å; F51-F175 AromaticContact CD1-CZ 3.49Å; F51-F175 HydrophobicContact CD1-CZ 3.49Å; F51-F175 VanDerWaalsContact CD1-CZ 3.49Å; F51-F175 HydrophobicContact CE1-CE2 4.09Å; F51-F175 HydrophobicContact CE1-CZ 4.13Å; F51-F175 HydrophobicContact CG-CE1 4.01Å; F51-F175 HydrophobicContact CG-CE2 4.49Å; F51-F175 AromaticContact CG-CZ 3.88Å; F51-F175 HydrophobicContact CG-CZ 3.88Å; F51-P179 HydrophobicContact CD1-CG 4.08Å; F51-P179 HydrophobicContact CE1-CG 3.96Å
52H92.7Very high93.1Very high81 Ų8148.4 Ų48.438%0.37525%0.253SS..EExtended strand (participates in β ladder)trans-98.7117.1176.7-65.879.3000108.7Q57 F175 V176 A177H52-Q57 PolarHBondContact NE2-NE2 3.44Å; H52-F175 CarbonylContact O-C 3.59Å; H52-F175 VanDerWaalsContact O-CA 3.3Å; H52-F175 WeakPolarHBondContact O-CA 3.49Å; H52-V176 HydrophobicContact CB-CG2 3.94Å; H52-V176 WeakPolarHBondContact O-CG2 3.39Å; H52-V176 PolarHBondContact O-N 3.44Å; H52-A177 HydrophobicContact CB-CB 4.26Å
53T94.7Very high93.6Very high8 Ų845.2 Ų45.25%0.04923%0.232CC..EExtended strand (participates in β ladder)trans-112.9166.5-178.181.40000111.5R55 G56 I58 L173 E174 F175T53-R55 PolarHBondContact O-N 3.48Å; T53-R55 VanDerWaalsContact O-N 3.07Å; T53-R55 WeakPolarHBondContact OG1-CA 3.48Å; T53-R55 PolarHBondContact OG1-N 3.33Å; T53-G56 WeakPolarHBondContact CA-O 3.3Å; T53-G56 WeakPolarHBondContact CB-O 3.38Å; T53-G56 PolarHBondContact N-O 3.44Å; T53-G56 PolarHBondContact O-N 2.98Å; T53-G56 VanDerWaalsContact O-N 3.12Å; T53-G56 PolarHBondContact OG1-N 2.89Å; T53-G56 PolarHBondContact OG1-O 3.44Å; T53-I58 HydrophobicContact CG2-CD1 3.74Å; T53-I58 HydrophobicContact CG2-CG1 3.96Å; T53-I58 HydrophobicContact CG2-CG2 4.26Å; T53-L173 HydrophobicContact CG2-CD1 4.24Å; T53-L173 HydrophobicContact CG2-CD2 3.88Å; T53-L173 HydrophobicContact CG2-CG 4.27Å; T53-E174 CarbonylContact C-O 3.5Å; T53-E174 WeakPolarHBondContact CA-O 3.32Å; T53-E174 WeakPolarHBondContact CB-O 3.37Å; T53-F175 HydrophobicContact CG2-CD1 3.99Å; T53-F175 HydrophobicContact CG2-CE1 4.13Å
54N95.7Very high94Very high56 Ų5644.8 Ų44.830%0.29923%0.228SC..THydrogen-bonded Turntrans-67.75167.665.4-15000113.9N172 L173 E174 V176N54-N172 PolarHBondContact ND2-O 3.28Å; N54-L173 WeakPolarHBondContact OD1-CA 2.97Å; N54-E174 PolarHBondContact N-O 3.28Å; N54-E174 PolarHBondContact OD1-N 3.12Å; N54-E174 PolarHBondContact OD1-O 2.86Å; N54-V176 HydrophobicContact CB-CG1 3.81Å
55R94.7Very high94.1Very high140 Ų14043 Ų4353%0.52822%0.217SC..THydrogen-bonded Turntrans-120.39.5173-57.7-62.8179.9-96.9-10.2113.1T53 D170 L173T53-R55 PolarHBondContact O-N 3.48Å; T53-R55 VanDerWaalsContact O-N 3.07Å; T53-R55 WeakPolarHBondContact OG1-CA 3.48Å; T53-R55 PolarHBondContact OG1-N 3.33Å; R55-D170 IonicContact CZ-OD2 3.41Å; R55-D170 VanDerWaalsContact CZ-OD2 3.25Å; R55-D170 IonicContact NE-OD2 2.87Å; R55-D170 PolarHBondContact NE-OD2 3.09Å; R55-D170 IonicContact NH2-OD1 2.69Å; R55-D170 IonicContact NH2-OD2 3.69Å; R55-D170 PolarHBondContact NH2-OD2 3.01Å; R55-L173 HydrophobicContact CB-CD1 4.45Å; R55-L173 HydrophobicContact CG-CD1 4.22Å
56G93.9Very high93.9Very high39 Ų3939.8 Ų39.840%0.40220%0.203SC..EExtended strand (participates in β ladder)trans105.9-171.6-175.700000113T53T53-G56 WeakPolarHBondContact CA-O 3.3Å; T53-G56 WeakPolarHBondContact CB-O 3.38Å; T53-G56 PolarHBondContact N-O 3.44Å; T53-G56 PolarHBondContact O-N 2.98Å; T53-G56 VanDerWaalsContact O-N 3.12Å; T53-G56 PolarHBondContact OG1-N 2.89Å; T53-G56 PolarHBondContact OG1-O 3.44Å
57Q94Very high93.5Very high83 Ų8336.9 Ų36.939%0.38819%0.187SC..EExtended strand (participates in β ladder)trans-77.9147.9178.3-72.7176.7-19.600110.9I7 I50 F51 H52I7-Q57 HydrophobicContact CD1-CB 4.28Å; I7-Q57 HydrophobicContact CG1-CB 4.39Å; I7-Q57 HydrophobicContact CG2-CB 4.05Å; I50-Q57 HydrophobicContact CG2-CB 4.24Å; I50-Q57 HydrophobicContact CG2-CG 4.18Å; F51-Q57 WeakPolarHBondContact O-CA 3.15Å; H52-Q57 PolarHBondContact NE2-NE2 3.44Å
58I94.8Very high92.9Very high4 Ų438.8 Ų38.82%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-133.4154.6169.461.5176.9000108.5I50 F51 T53 V164 L168 F175I50-I58 WeakPolarHBondContact CA-O 3.41Å; F51-I58 HydrophobicContact CB-CD1 4Å; F51-I58 HydrophobicContact CB-CG1 3.73Å; F51-I58 PolarHBondContact N-O 3.02Å; F51-I58 PolarHBondContact O-N 3.39Å; T53-I58 HydrophobicContact CG2-CD1 3.74Å; T53-I58 HydrophobicContact CG2-CG1 3.96Å; T53-I58 HydrophobicContact CG2-CG2 4.26Å; I58-V164 HydrophobicContact CD1-CB 3.86Å; I58-V164 HydrophobicContact CD1-CG1 3.32Å; I58-V164 HydrophobicContact CD1-CG2 3.15Å; I58-L168 HydrophobicContact CG2-CD1 4.26Å; I58-F175 HydrophobicContact CD1-CE1 4.29Å
59R94.8Very high92Very high56 Ų5641.4 Ų41.421%0.21120%0.202CC..EExtended strand (participates in β ladder)trans-124.8129.1177.9-172.7-174.1-63.7135.3-9.8110.4I7 P8 T9 F10 P48 L49 I50I7-R59 HydrophobicContact CG2-CB 3.96Å; P8-R59 PolarHBondContact O-N 2.88Å; T9-R59 CarbonylContact C-O 3.59Å; T9-R59 VanDerWaalsContact CA-O 3.29Å; T9-R59 WeakPolarHBondContact CA-O 3.48Å; T9-R59 HydrophobicContact CG2-CB 4.19Å; T9-R59 HydrophobicContact CG2-CG 4.19Å; T9-R59 PolarHBondContact OG1-NH1 2.89Å; F10-R59 PolarHBondContact N-O 2.8Å; P48-R59 HydrophobicContact CB-CG 4.41Å; L49-R59 CarbonylContact O-C 3.6Å; L49-R59 VanDerWaalsContact O-CA 3.3Å; L49-R59 WeakPolarHBondContact O-CA 3.37Å; I50-R59 HydrophobicContact CG1-CB 4.42Å; I50-R59 HydrophobicContact CG1-CG 4.19Å
60F96.7Very high91.2Very high1 Ų148.8 Ų48.80%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-96.3121.6159.3-75.1-56000109.1F10 L12 P48 L49 F51 V62 C84 L163 V164 L167F10-F60 HydrophobicContact CB-CD1 3.76Å; F10-F60 HydrophobicContact CB-CE1 3.78Å; F10-F60 HydrophobicContact CD2-CE1 4.46Å; F10-F60 HydrophobicContact CG-CE1 4.4Å; F10-F60 CarbonylContact O-C 3.58Å; F10-F60 WeakPolarHBondContact O-CA 3.42Å; L12-F60 HydrophobicContact CB-CB 4.23Å; L12-F60 HydrophobicContact CB-CD1 3.86Å; L12-F60 HydrophobicContact CB-CG 4.2Å; L12-F60 HydrophobicContact CD1-CB 4.42Å; L12-F60 HydrophobicContact CD1-CD1 4.01Å; L12-F60 HydrophobicContact CD1-CD2 4.08Å; L12-F60 HydrophobicContact CD1-CE1 4.26Å; L12-F60 HydrophobicContact CD1-CE2 4.31Å; L12-F60 HydrophobicContact CD1-CG 3.93Å; L12-F60 HydrophobicContact CD1-CZ 4.4Å; P48-F60 CarbonylContact C-O 3.58Å; P48-F60 WeakPolarHBondContact CA-O 3.33Å; L49-F60 PolarHBondContact N-O 3.06Å; L49-F60 PolarHBondContact O-N 3.27Å; F51-F60 HydrophobicContact CD2-CD2 4.01Å; F51-F60 AromaticContact CE2-CD2 3.66Å; F51-F60 HydrophobicContact CE2-CD2 3.66Å; F51-F60 HydrophobicContact CE2-CE2 4.41Å; F60-V62 HydrophobicContact CB-CG2 3.88Å; F60-V62 PolarHBondContact O-N 3.4Å; F60-C84 VanDerWaalsContact CE1-SG 3.53Å; F60-L163 HydrophobicContact CZ-CB 3.98Å; F60-V164 HydrophobicContact CE2-CG2 3.42Å; F60-V164 VanDerWaalsContact CE2-CG2 3.42Å; F60-V164 HydrophobicContact CZ-CG2 3.39Å; F60-L167 HydrophobicContact CE1-CD1 3.63Å; F60-L167 HydrophobicContact CZ-CD1 4Å
61N96.4Very high90.1Very high52 Ų5248.1 Ų48.128%0.27823%0.228SC..EExtended strand (participates in β ladder)trans-8297.8158.8-74.4-16.3000106.4T9 F10 L12 V46 W63T9-N61 WeakPolarHBondContact CG2-ND2 3.4Å; F10-N61 PolarHBondContact O-N 2.99Å; L12-N61 PolarHBondContact N-O 3.33Å; V46-N61 HydrophobicContact CG1-CB 4.29Å; N61-W63 PolarHBondContact O-N 3.39Å
62V97Very high88.8Confident5 Ų549 Ų493%0.0324%0.238CC..EExtended strand (participates in β ladder)trans-82.8116.4-178.4-178.90000109.4L12 L14 V26 V46 H47 L49 F60 D64L12-V62 HydrophobicContact CB-CG2 4.27Å; L12-V62 HydrophobicContact CD1-CG2 4.49Å; L12-V62 HydrophobicContact CD2-CG1 3.95Å; L12-V62 HydrophobicContact CD2-CG2 4.29Å; L12-V62 CarbonylContact O-C 3.56Å; L12-V62 WeakPolarHBondContact O-CA 3.41Å; L14-V62 HydrophobicContact CB-CG1 4.04Å; L14-V62 HydrophobicContact CD2-CG1 4.27Å; V26-V62 HydrophobicContact CG1-CG1 4.5Å; V26-V62 HydrophobicContact CG2-CG1 3.65Å; V46-V62 WeakPolarHBondContact CA-O 3.33Å; H47-V62 HydrophobicContact CB-CB 4.44Å; H47-V62 PolarHBondContact N-O 3.49Å; H47-V62 PolarHBondContact O-N 3.03Å; L49-V62 HydrophobicContact CD1-CG2 3.6Å; L49-V62 HydrophobicContact CG-CG2 3.81Å; F60-V62 HydrophobicContact CB-CG2 3.88Å; F60-V62 PolarHBondContact O-N 3.4Å; V62-D64 PolarHBondContact O-N 3.01Å
63W96.2Very high87.6Confident63 Ų6349.2 Ų49.224%0.23926%0.262CS..EExtended strand (participates in β ladder)trans-89.892.6173.3-72.351.5000107.6K11 L12 L14 V44 V46 N61 T65 Y78K11-W63 HydrophobicContact CD-CD2 4.35Å; K11-W63 HydrophobicContact CD-CZ2 4.28Å; K11-W63 VanDerWaalsContact CE-CD2 3.49Å; K11-W63 HydrophobicContact CG-CG 4.38Å; L12-W63 PolarHBondContact O-N 3.23Å; L14-W63 PolarHBondContact N-O 3.06Å; V44-W63 HydrophobicContact CG1-CE3 4.4Å; V44-W63 HydrophobicContact CG2-CB 3.88Å; V44-W63 HydrophobicContact CG2-CD2 4.29Å; V44-W63 HydrophobicContact CG2-CE3 3.87Å; V44-W63 HydrophobicContact CG2-CG 4.36Å; V46-W63 HydrophobicContact CG2-CD2 3.9Å; V46-W63 HydrophobicContact CG2-CE3 4.46Å; V46-W63 HydrophobicContact CG2-CG 4.07Å; V46-W63 HydrophobicContact CG2-CZ2 4.31Å; N61-W63 PolarHBondContact O-N 3.39Å; W63-T65 PolarHBondContact O-N 3.03Å; W63-Y78 HydrophobicContact CE3-CD1 4.3Å; W63-Y78 HydrophobicContact CZ3-CD1 4.1Å
64D94.8Very high86.6Confident0 Ų054.1 Ų54.10%029%0.288CS..EExtended strand (participates in β ladder)trans-74.4105.5174-179.429.2000109.3K22 T23 V26 V44 E45 V62K22-D64 WeakPolarHBondContact CB-OD1 3.31Å; T23-D64 WeakPolarHBondContact CA-OD2 3.2Å; T23-D64 VanDerWaalsContact CB-OD2 3.3Å; T23-D64 WeakPolarHBondContact CB-OD2 3.4Å; T23-D64 PolarHBondContact OG1-OD2 2.81Å; V26-D64 HydrophobicContact CG2-CB 4.43Å; V44-D64 VanDerWaalsContact CA-O 3.31Å; V44-D64 WeakPolarHBondContact CA-O 3.44Å; V44-D64 WeakPolarHBondContact CG2-O 3.25Å; E45-D64 PolarHBondContact N-O 2.87Å; E45-D64 PolarHBondContact O-N 2.89Å; V62-D64 PolarHBondContact O-N 3.01Å
65T92.6Very high85.8Confident2 Ų252.2 Ų52.21%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-93.4148.8-174.366.80000112.4V13 L14 V15 K22 V44 W63 G67 Y78V13-T65 HydrophobicContact CG1-CG2 4.2Å; L14-T65 PolarHBondContact O-N 3.01Å; L14-T65 VanDerWaalsContact O-N 3.16Å; L14-T65 PolarHBondContact O-OG1 2.93Å; V15-T65 HydrophobicContact CG1-CG2 4.41Å; K22-T65 WeakPolarHBondContact CE-O 3.49Å; V44-T65 HydrophobicContact CG2-CG2 4.33Å; W63-T65 PolarHBondContact O-N 3.03Å; T65-G67 PolarHBondContact O-N 3.11Å; T65-Y78 HydrophobicContact CG2-CD2 4.48Å
66A89.6Confident85.2Confident4 Ų448.5 Ų48.53%0.03327%0.267CS..  trans-63.5124.5172.300000111.3T41 G43 Q68 F71T41-A66 WeakPolarHBondContact O-CB 3.31Å; G43-A66 WeakPolarHBondContact O-CB 3.45Å; G43-A66 PolarHBondContact O-N 2.89Å; A66-Q68 VanDerWaalsContact C-N 3.33Å; A66-F71 HydrophobicContact CB-CB 4.03Å; A66-F71 HydrophobicContact CB-CD2 3.71Å; A66-F71 HydrophobicContact CB-CG 4.17Å
67G83.7Confident85Confident8 Ų848.7 Ų48.78%0.08227%0.269CS..  trans-86.21.9178.200000115G16 D17 G18 T65G16-G67 WeakPolarHBondContact O-CA 3.46Å; D17-G67 CarbonylContact C-O 3.54Å; G18-G67 PolarHBondContact N-O 2.79Å; T65-G67 PolarHBondContact O-N 3.11Å
68Q80.4Confident84.9Confident64 Ų6446.7 Ų46.730%0.29926%0.258SS..  trans-86.8134-176.8-58.5-69.9-30.400110.1Y38 A40 A66 K70 F71Y38-Q68 PolarHBondContact OH-NE2 2.59Å; Y38-Q68 VanDerWaalsContact OH-NE2 3.09Å; A40-Q68 HydrophobicContact CB-CG 4.38Å; A66-Q68 VanDerWaalsContact C-N 3.33Å; Q68-K70 HydrophobicContact CB-CG 4.04Å; Q68-K70 PolarHBondContact O-N 3.32Å; Q68-F71 HydrophobicContact CB-CD2 3.83Å; Q68-F71 HydrophobicContact CB-CE2 4.2Å; Q68-F71 HydrophobicContact CG-CD2 4.49Å; Q68-F71 PolarHBondContact O-N 3.49Å
69E73.7Confident84.9Confident125 Ų12546.5 Ų46.558%0.58426%0.257SS*.G310 helixtrans-56.1-34.5-180-75.1-55.4124.900113.5F71 G72 R75E69-F71 PolarHBondContact O-N 3.06Å; E69-G72 PolarHBondContact O-N 3.15Å; E69-R75 IonicContact OE1-CZ 3.72Å; E69-R75 IonicContact OE1-NH1 2.74Å; E69-R75 PolarHBondContact OE1-NH1 3.24Å; E69-R75 IonicContact OE1-NH2 3.43Å; E69-R75 PolarHBondContact OE1-NH2 2.99Å; E69-R75 IonicContact OE2-NH1 3.42Å; E69-R75 IonicContact OE2-NH2 3.11Å
70K75.6Confident84.9Confident163 Ų16348.3 Ų48.371%0.70927%0.27SS*.G310 helixtrans-59.2-17176.967.4-178.6179177.70114.6Q68Q68-K70 HydrophobicContact CB-CG 4.04Å; Q68-K70 PolarHBondContact O-N 3.32Å
71F67.6Low84.8Confident54 Ų5456.1 Ų56.124%0.23731%0.307CS..G310 helixtrans-103.98.7175.3-57-59.7000112.9L42 A66 Q68 E69 G73 L74L42-F71 HydrophobicContact CD2-CE1 4.33Å; L42-F71 HydrophobicContact CD2-CE2 3.91Å; L42-F71 HydrophobicContact CD2-CZ 3.45Å; L42-F71 VanDerWaalsContact CD2-CZ 3.45Å; A66-F71 HydrophobicContact CB-CB 4.03Å; A66-F71 HydrophobicContact CB-CD2 3.71Å; A66-F71 HydrophobicContact CB-CG 4.17Å; Q68-F71 HydrophobicContact CB-CD2 3.83Å; Q68-F71 HydrophobicContact CB-CE2 4.2Å; Q68-F71 HydrophobicContact CG-CD2 4.49Å; Q68-F71 PolarHBondContact O-N 3.49Å; E69-F71 PolarHBondContact O-N 3.06Å; F71-G73 VanDerWaalsContact C-N 3.27Å; F71-G73 PolarHBondContact O-N 3.13Å; F71-L74 PolarHBondContact O-N 3.16Å
72G65.7Low84.8Confident22 Ų2254 Ų5423%0.22730%0.297CS..G310 helixtrans-57.6-33.5-176.100000114.8E69 L74 R75E69-G72 PolarHBondContact O-N 3.15Å; G72-L74 PolarHBondContact O-N 2.86Å; G72-L74 VanDerWaalsContact O-N 3.12Å; G72-R75 WeakPolarHBondContact O-CB 3.44Å; G72-R75 VanDerWaalsContact O-CG 3.32Å; G72-R75 WeakPolarHBondContact O-CG 3.3Å; G72-R75 PolarHBondContact O-N 3.49Å; G72-R75 VanDerWaalsContact O-N 3.15Å
73G67.6Low84.9Confident85 Ų8557.5 Ų57.588%0.87631%0.313SS*.G310 helixtrans-64.4-16.8-175.500000116F71F71-G73 VanDerWaalsContact C-N 3.27Å; F71-G73 PolarHBondContact O-N 3.13Å
74L72.4Confident85Confident111 Ų11154.5 Ų54.558%0.58130%0.302SS*.G310 helixtrans-102.3-2.3178.5-63.8176.8000113.6F71 G72 D76 G77 Y78F71-L74 PolarHBondContact O-N 3.16Å; G72-L74 PolarHBondContact O-N 2.86Å; G72-L74 VanDerWaalsContact O-N 3.12Å; L74-D76 PolarHBondContact O-N 3.02Å; L74-G77 PolarHBondContact O-N 3.05Å; L74-Y78 HydrophobicContact CB-CE2 3.83Å; L74-Y78 WeakPolarHBondContact O-CD2 3.3Å
75R79.3Confident85.2Confident15 Ų1554.5 Ų54.56%0.05730%0.302CS..Hα-helixtrans-57.6-45.7-169.9-75.1177.2-175.4169.16.2113.1E69 G72 G77 Y78 Y79 W103E69-R75 IonicContact OE1-CZ 3.72Å; E69-R75 IonicContact OE1-NH1 2.74Å; E69-R75 PolarHBondContact OE1-NH1 3.24Å; E69-R75 IonicContact OE1-NH2 3.43Å; E69-R75 PolarHBondContact OE1-NH2 2.99Å; E69-R75 IonicContact OE2-NH1 3.42Å; E69-R75 IonicContact OE2-NH2 3.11Å; G72-R75 WeakPolarHBondContact O-CB 3.44Å; G72-R75 VanDerWaalsContact O-CG 3.32Å; G72-R75 WeakPolarHBondContact O-CG 3.3Å; G72-R75 PolarHBondContact O-N 3.49Å; G72-R75 VanDerWaalsContact O-N 3.15Å; R75-G77 VanDerWaalsContact C-N 3.27Å; R75-G77 PolarHBondContact O-N 3.02Å; R75-Y78 WeakPolarHBondContact O-CB 3.34Å; R75-Y78 PolarHBondContact O-N 3Å; R75-Y79 HydrophobicContact CB-CE2 4.03Å; R75-Y79 WeakPolarHBondContact O-CD1 3.44Å; R75-Y79 PolarHBondContact O-N 3.13Å; R75-W103 HydrophobicContact CG-CZ3 4.46Å; R75-W103 VanDerWaalsContact NE-CH2 3.25Å; R75-W103 VanDerWaalsContact NH2-CH2 3.3Å
76D83.4Confident85.5Confident62 Ų6254.4 Ų54.433%0.33230%0.301SS..Hα-helixtrans-58.8-39.7-177.2-71.22.5000112.2L74 Y78 Y79 I80 R109 V110L74-D76 PolarHBondContact O-N 3.02Å; D76-Y78 VanDerWaalsContact C-N 3.25Å; D76-Y78 PolarHBondContact O-N 3.27Å; D76-Y79 PolarHBondContact O-N 3.02Å; D76-I80 PolarHBondContact O-N 2.98Å; D76-R109 IonicContact OD1-CZ 2.81Å; D76-R109 IonicContact OD1-NE 3.25Å; D76-R109 IonicContact OD1-NH2 3.67Å; D76-R109 PolarHBondContact OD1-NH2 2.93Å; D76-R109 IonicContact OD2-CZ 3.36Å; D76-R109 IonicContact OD2-NE 2.89Å; D76-R109 IonicContact OD2-NH2 2.66Å; D76-R109 PolarHBondContact OD2-NH2 2.73Å; D76-V110 HydrophobicContact CB-CG2 4.01Å
77G90Very high85.9Confident44 Ų4454.2 Ų54.245%0.45430%0.299SS..Hα-helixtrans-62.1-33.4177.500000112.9L74 R75 Y79L74-G77 PolarHBondContact O-N 3.05Å; R75-G77 VanDerWaalsContact C-N 3.27Å; R75-G77 PolarHBondContact O-N 3.02Å; G77-Y79 VanDerWaalsContact C-N 3.31Å
78Y91.9Very high86.6Confident41 Ų4153.9 Ų53.916%0.16130%0.296CS..Hα-helixtrans-73-25.8175.2-55.8-41.5000112.5K11 G43 V44 W63 T65 L74 R75 D76K11-Y78 WeakPolarHBondContact CE-O 3.43Å; K11-Y78 PolarHBondContact NZ-O 2.78Å; G43-Y78 VanDerWaalsContact CA-OH 3.25Å; G43-Y78 WeakPolarHBondContact CA-OH 3.37Å; V44-Y78 HydrophobicContact CB-CD1 3.84Å; V44-Y78 HydrophobicContact CB-CD2 4.36Å; V44-Y78 HydrophobicContact CB-CE1 3.81Å; V44-Y78 HydrophobicContact CB-CE2 4.34Å; V44-Y78 HydrophobicContact CB-CG 4.13Å; V44-Y78 HydrophobicContact CG1-CD1 3.53Å; V44-Y78 HydrophobicContact CG1-CE1 3.31Å; V44-Y78 HydrophobicContact CG1-CG 4.32Å; V44-Y78 HydrophobicContact CG2-CD1 4.49Å; W63-Y78 HydrophobicContact CE3-CD1 4.3Å; W63-Y78 HydrophobicContact CZ3-CD1 4.1Å; T65-Y78 HydrophobicContact CG2-CD2 4.48Å; L74-Y78 HydrophobicContact CB-CE2 3.83Å; L74-Y78 WeakPolarHBondContact O-CD2 3.3Å; R75-Y78 WeakPolarHBondContact O-CB 3.34Å; R75-Y78 PolarHBondContact O-N 3Å; D76-Y78 VanDerWaalsContact C-N 3.25Å; D76-Y78 PolarHBondContact O-N 3.27Å
79Y94.2Very high87.5Confident0 Ų050.8 Ų50.80%028%0.281CS..Hα-helixtrans-80-31.5-178.2-57.6-19000113.1V13 V15 R75 D76 G77 Q81 G82 W103 D106 L107 V110 C111V13-Y79 HydrophobicContact CG1-CD1 3.51Å; V13-Y79 HydrophobicContact CG1-CE1 3.74Å; V15-Y79 HydrophobicContact CG1-CD1 4.46Å; V15-Y79 HydrophobicContact CG1-CE1 3.5Å; V15-Y79 VanDerWaalsContact CG1-CE1 3.5Å; R75-Y79 HydrophobicContact CB-CE2 4.03Å; R75-Y79 WeakPolarHBondContact O-CD1 3.44Å; R75-Y79 PolarHBondContact O-N 3.13Å; D76-Y79 PolarHBondContact O-N 3.02Å; G77-Y79 VanDerWaalsContact C-N 3.31Å; Y79-Q81 PolarHBondContact O-N 3.25Å; Y79-G82 WeakPolarHBondContact O-CA 3.36Å; Y79-G82 PolarHBondContact O-N 2.9Å; Y79-W103 WeakPolarHBondContact OH-CZ3 3.44Å; Y79-D106 HydrophobicContact CE2-CB 4.1Å; Y79-L107 HydrophobicContact CD1-CD1 4.12Å; Y79-L107 HydrophobicContact CD2-CD1 4.43Å; Y79-L107 HydrophobicContact CG-CD1 4.06Å; Y79-V110 HydrophobicContact CD2-CB 4.39Å; Y79-V110 HydrophobicContact CD2-CG2 4.11Å; Y79-C111 PolarHBondContact O-SG 2.79Å
80I94Very high88.6Confident94 Ų9445.7 Ų45.748%0.48226%0.258SS..THydrogen-bonded Turntrans-42.9128-177.9-67.8170.4000111.6K11 D76 G82 V110K11-I80 WeakPolarHBondContact CE-O 3.28Å; K11-I80 PolarHBondContact NZ-O 3Å; D76-I80 PolarHBondContact O-N 2.98Å; I80-G82 PolarHBondContact O-N 2.95Å; I80-V110 HydrophobicContact CG1-CG1 4.05Å
81Q94.9Very high89.7Confident165 Ų16538 Ų3877%0.77123%0.225SC*.THydrogen-bonded Turntrans61.319.1-177.7-60.5171.5-12.100115.1Y79 Q83Y79-Q81 PolarHBondContact O-N 3.25Å; Q81-Q83 PolarHBondContact O-N 2.98Å
82G97.1Very high91.1Very high7 Ų737.4 Ų37.47%0.07223%0.226CC..  trans-58.6131.4167.600000109.9Y79 I80 I114Y79-G82 WeakPolarHBondContact O-CA 3.36Å; Y79-G82 PolarHBondContact O-N 2.9Å; I80-G82 PolarHBondContact O-N 2.95Å; G82-I114 WeakPolarHBondContact O-CG2 3.31Å
83Q98.1Very high92.6Very high78 Ų7837.8 Ų37.836%0.36423%0.226SC..  trans-103-21.7-179.4-68.8166.4-79.500111.7F10 K11 Q81 I114 P115 L167F10-Q83 VanDerWaalsContact CA-OE1 3.25Å; F10-Q83 HydrophobicContact CD1-CB 4.46Å; K11-Q83 PolarHBondContact O-N 2.89Å; Q81-Q83 PolarHBondContact O-N 2.98Å; Q83-I114 WeakPolarHBondContact O-CB 3.46Å; Q83-P115 WeakPolarHBondContact O-CD 3.37Å; Q83-L167 HydrophobicContact CB-CD2 4.36Å; Q83-L167 WeakPolarHBondContact O-CD2 3.16Å
84C98.5Very high94.1Very high0 Ų042.2 Ų42.20%022%0.217CC..EExtended strand (participates in β ladder)trans-155.3166173.558.80000110K11 L12 V13 F60 P115 L163 L167K11-C84 PolarHBondContact O-N 3.39Å; L12-C84 WeakPolarHBondContact CA-O 3.43Å; V13-C84 PolarHBondContact N-O 2.9Å; F60-C84 VanDerWaalsContact CE1-SG 3.53Å; C84-P115 VanDerWaalsContact CA-O 3.28Å; C84-P115 WeakPolarHBondContact CA-O 3.28Å; C84-L163 HydrophobicContact CB-CD1 4.34Å; C84-L163 HydrophobicContact CB-CD2 3.86Å; C84-L167 HydrophobicContact CB-CD1 4.08Å; C84-L167 HydrophobicContact CB-CD2 4.43Å
85A98.4Very high95.2Very high0 Ų041.1 Ų41.10%022%0.215CC..EExtended strand (participates in β ladder)trans-145.9159176.400000114.2V13 L107 I114 P115 I116 V117V13-A85 HydrophobicContact CB-CB 4.28Å; V13-A85 CarbonylContact O-C 3.57Å; V13-A85 WeakPolarHBondContact O-CA 3.38Å; V13-A85 VanDerWaalsContact O-CB 3.3Å; V13-A85 WeakPolarHBondContact O-CB 3.29Å; A85-L107 HydrophobicContact CB-CD1 4.26Å; A85-L107 HydrophobicContact CB-CD2 3.38Å; A85-L107 HydrophobicContact CB-CG 4.44Å; A85-I114 HydrophobicContact CB-CD1 4.07Å; A85-P115 PolarHBondContact N-O 2.8Å; A85-I116 HydrophobicContact CB-CG1 4.18Å; A85-I116 HydrophobicContact CB-CG2 4.47Å; A85-I116 WeakPolarHBondContact O-CA 3.43Å; A85-V117 PolarHBondContact O-N 2.47Å
86I98.6Very high96.1Very high0 Ų040.9 Ų40.90%021%0.214CC..EExtended strand (participates in β ladder)trans-119.9125.6164.6-64.4176.1000107.7L12 V13 L14 V15 F25 V117 C119 P159 L163L12-I86 HydrophobicContact CD1-CD1 4.16Å; L12-I86 HydrophobicContact CD1-CG1 4.43Å; L12-I86 HydrophobicContact CD2-CB 4.49Å; L12-I86 HydrophobicContact CD2-CD1 4.23Å; L12-I86 HydrophobicContact CD2-CG1 4.2Å; V13-I86 PolarHBondContact O-N 3.31Å; L14-I86 HydrophobicContact CD1-CB 3.69Å; L14-I86 HydrophobicContact CD1-CG2 3.63Å; V15-I86 PolarHBondContact N-O 3.3Å; F25-I86 HydrophobicContact CE1-CD1 4.02Å; F25-I86 HydrophobicContact CZ-CD1 4.37Å; I86-V117 CarbonylContact C-O 3.56Å; I86-V117 VanDerWaalsContact CA-O 3.3Å; I86-V117 WeakPolarHBondContact CA-O 3.48Å; I86-V117 HydrophobicContact CG1-CB 4.42Å; I86-C119 HydrophobicContact CG2-CB 4.21Å; I86-P159 HydrophobicContact CD1-CB 3.84Å; I86-P159 HydrophobicContact CG1-CB 4.49Å; I86-L163 HydrophobicContact CD1-CD1 4.24Å; I86-L163 HydrophobicContact CG1-CD1 3.88Å
87I98.2Very high96.8Very high0 Ų038.8 Ų38.80%020%0.202CC..EExtended strand (participates in β ladder)trans-100.7120167.9-52.2-179.7000107V15 V100 W103 H104 I116 V117 L118 C119V15-I87 HydrophobicContact CG2-CB 4.18Å; V15-I87 HydrophobicContact CG2-CG1 3.68Å; V15-I87 HydrophobicContact CG2-CG2 4.26Å; V15-I87 WeakPolarHBondContact O-CA 3.47Å; I87-V100 HydrophobicContact CG2-CG1 4.21Å; I87-V100 HydrophobicContact CG2-CG2 4.31Å; I87-W103 HydrophobicContact CG2-CB 4.11Å; I87-H104 HydrophobicContact CD1-CB 3.75Å; I87-I116 HydrophobicContact CD1-CG2 3.92Å; I87-I116 HydrophobicContact CG1-CG2 3.86Å; I87-V117 PolarHBondContact N-O 2.98Å; I87-L118 HydrophobicContact CB-CD1 4.1Å; I87-L118 HydrophobicContact CG2-CD1 4.13Å; I87-L118 CarbonylContact O-C 3.52Å; I87-L118 WeakPolarHBondContact O-CA 3.3Å; I87-C119 PolarHBondContact O-N 2.84Å
88M98.6Very high97.2Very high1 Ų141.8 Ų41.81%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-112.1129.7-176.7-171.1174.6-66.600111.3L14 V15 G16 T20 G21 K22 F25 C119 N121 I148L14-M88 HydrophobicContact CD1-CE 4.22Å; V15-M88 PolarHBondContact O-N 3.46Å; G16-M88 WeakPolarHBondContact CA-O 3.5Å; T20-M88 PolarHBondContact OG1-O 2.9Å; G21-M88 VanDerWaalsContact C-SD 3.6Å; K22-M88 HydrophobicContact CG-CB 4.04Å; K22-M88 HydrophobicContact CG-SD 4.08Å; K22-M88 PolarHBondContact N-SD 3.5Å; F25-M88 HydrophobicContact CB-CE 3.81Å; F25-M88 HydrophobicContact CD1-CE 4.15Å; F25-M88 HydrophobicContact CD2-CE 4.27Å; F25-M88 HydrophobicContact CG-CE 3.82Å; M88-C119 WeakPolarHBondContact CA-O 3.4Å; M88-C119 HydrophobicContact CG-CB 4.5Å; M88-N121 HydrophobicContact CG-CB 4.03Å; M88-N121 HydrophobicContact SD-CB 4Å; M88-I148 HydrophobicContact CE-CD1 3.77Å
89F98.7Very high97.4Very high0 Ų041.8 Ų41.80%021%0.205CC..EExtended strand (participates in β ladder)trans-123.1167.8168.273.9-86000110.5V91 Y97 V100 L118 C119 G120 N121 V130 I135 Y145F89-V91 HydrophobicContact CE2-CG1 3.92Å; F89-V91 HydrophobicContact CZ-CG1 4.44Å; F89-Y97 AromaticContact CD1-CD2 3.9Å; F89-Y97 HydrophobicContact CD1-CD2 3.9Å; F89-Y97 AromaticContact CD2-CD2 3.88Å; F89-Y97 HydrophobicContact CD2-CD2 3.88Å; F89-Y97 HydrophobicContact CD2-CG 4.31Å; F89-Y97 AromaticContact CE1-CD2 3.78Å; F89-Y97 HydrophobicContact CE1-CD2 3.78Å; F89-Y97 HydrophobicContact CE1-CE2 4.14Å; F89-Y97 AromaticContact CE2-CD2 3.79Å; F89-Y97 HydrophobicContact CE2-CD2 3.79Å; F89-Y97 HydrophobicContact CE2-CG 4.33Å; F89-Y97 AromaticContact CG-CD2 3.94Å; F89-Y97 HydrophobicContact CG-CD2 3.94Å; F89-Y97 AromaticContact CZ-CD2 3.74Å; F89-Y97 HydrophobicContact CZ-CD2 3.74Å; F89-Y97 HydrophobicContact CZ-CE2 4.22Å; F89-V100 HydrophobicContact CB-CG2 3.98Å; F89-V100 HydrophobicContact CD1-CG2 4.11Å; F89-V100 HydrophobicContact CG-CG2 4.3Å; F89-L118 HydrophobicContact CD1-CD1 3.75Å; F89-L118 HydrophobicContact CD1-CG 4.19Å; F89-L118 HydrophobicContact CE1-CD1 3.99Å; F89-L118 HydrophobicContact CE1-CD2 4.16Å; F89-L118 HydrophobicContact CE1-CG 3.9Å; F89-C119 VanDerWaalsContact CD1-O 3.28Å; F89-C119 WeakPolarHBondContact CD1-O 3.46Å; F89-C119 PolarHBondContact N-O 2.93Å; F89-G120 VanDerWaalsContact CZ-CA 3.45Å; F89-N121 PolarHBondContact O-N 3.07Å; F89-V130 HydrophobicContact CE2-CB 4.19Å; F89-V130 HydrophobicContact CE2-CG1 3.89Å; F89-I135 HydrophobicContact CE2-CD1 4.42Å; F89-I135 HydrophobicContact CZ-CD1 3.87Å; F89-I135 HydrophobicContact CZ-CG1 4.21Å; F89-I135 HydrophobicContact CZ-CG2 4.44Å; F89-Y145 AromaticContact CE1-CE2 3.72Å; F89-Y145 HydrophobicContact CE1-CE2 3.72Å; F89-Y145 AromaticContact CZ-CE2 3.85Å; F89-Y145 HydrophobicContact CZ-CE2 3.85Å
90D98.2Very high97.5Very high18 Ų1841.8 Ų41.810%0.09621%0.206CC..EExtended strand (participates in β ladder)trans-103.9120.5179.5174.6-10.1000109.5T20 T92 A93 T96 F122T20-D90 HydrophobicContact CG2-CB 4.25Å; D90-T92 VanDerWaalsContact CG-OG1 3.22Å; D90-T92 PolarHBondContact O-N 2.96Å; D90-T92 VanDerWaalsContact O-N 3.13Å; D90-T92 WeakPolarHBondContact OD1-CA 3.08Å; D90-T92 VanDerWaalsContact OD1-CB 3.26Å; D90-T92 WeakPolarHBondContact OD1-CB 3.43Å; D90-T92 WeakPolarHBondContact OD1-CG2 3.45Å; D90-T92 PolarHBondContact OD1-N 2.85Å; D90-T92 PolarHBondContact OD1-OG1 3.41Å; D90-T92 PolarHBondContact OD2-OG1 2.83Å; D90-T92 VanDerWaalsContact OD2-OG1 3.14Å; D90-A93 HydrophobicContact CB-CB 4.13Å; D90-A93 PolarHBondContact O-N 3.19Å; D90-A93 VanDerWaalsContact O-N 3.08Å; D90-T96 HydrophobicContact CB-CG2 4.24Å; D90-T96 PolarHBondContact N-OG1 3Å; D90-T96 PolarHBondContact O-OG1 3.37Å; D90-F122 HydrophobicContact CB-CD2 4.14Å; D90-F122 HydrophobicContact CB-CE2 4.38Å; D90-F122 WeakPolarHBondContact OD1-CD2 3.33Å; D90-F122 WeakPolarHBondContact OD2-CD2 3.37Å
91V98.2Very high97.7Very high0 Ų039.1 Ų39.10%019%0.194CC..THydrogen-bonded Turntrans-67.2-12.9-178.5-55.50000113.6F89 N121 V123 R128 K129 V130F89-V91 HydrophobicContact CE2-CG1 3.92Å; F89-V91 HydrophobicContact CZ-CG1 4.44Å; V91-N121 WeakPolarHBondContact CG1-O 3.46Å; V91-N121 WeakPolarHBondContact CG2-O 3.41Å; V91-N121 PolarHBondContact N-O 3.47Å; V91-V123 HydrophobicContact CG1-CG1 4.02Å; V91-V123 HydrophobicContact CG2-CG1 4.15Å; V91-R128 HydrophobicContact CB-CG 4.03Å; V91-R128 HydrophobicContact CG2-CB 4.49Å; V91-R128 HydrophobicContact CG2-CG 3.96Å; V91-K129 CarbonylContact O-C 3.51Å; V91-K129 WeakPolarHBondContact O-CA 3.43Å; V91-K129 PolarHBondContact O-N 3.47Å; V91-V130 PolarHBondContact O-N 3.09Å
92T97.7Very high97.6Very high43 Ų4334.1 Ų34.126%0.26417%0.173SC..THydrogen-bonded Turntrans-91.8-14.5176.478.50000112.7D90 F122 V125 K129D90-T92 VanDerWaalsContact CG-OG1 3.22Å; D90-T92 PolarHBondContact O-N 2.96Å; D90-T92 VanDerWaalsContact O-N 3.13Å; D90-T92 WeakPolarHBondContact OD1-CA 3.08Å; D90-T92 VanDerWaalsContact OD1-CB 3.26Å; D90-T92 WeakPolarHBondContact OD1-CB 3.43Å; D90-T92 WeakPolarHBondContact OD1-CG2 3.45Å; D90-T92 PolarHBondContact OD1-N 2.85Å; D90-T92 PolarHBondContact OD1-OG1 3.41Å; D90-T92 PolarHBondContact OD2-OG1 2.83Å; D90-T92 VanDerWaalsContact OD2-OG1 3.14Å; T92-F122 HydrophobicContact CG2-CB 4.35Å; T92-V125 HydrophobicContact CG2-CB 3.67Å; T92-V125 HydrophobicContact CG2-CG1 3.74Å; T92-V125 HydrophobicContact CG2-CG2 4.14Å; T92-K129 WeakPolarHBondContact O-CG 3.33Å
93A97.5Very high97.6Very high29 Ų2934 Ų3424%0.2417%0.17CC..  trans-123.896.3-176.200000111.7D90 V95 T96D90-A93 HydrophobicContact CB-CB 4.13Å; D90-A93 PolarHBondContact O-N 3.19Å; D90-A93 VanDerWaalsContact O-N 3.08Å; A93-V95 PolarHBondContact O-N 3.48Å; A93-V95 VanDerWaalsContact O-N 3.08Å; A93-T96 HydrophobicContact CB-CG2 3.84Å; A93-T96 WeakPolarHBondContact O-CB 3.24Å; A93-T96 PolarHBondContact O-N 3.01Å; A93-T96 PolarHBondContact O-OG1 3.38Å
94R97.5Very high97.4Very high179 Ų17931.4 Ų31.468%0.67516%0.158SC*.Hα-helixtrans-51.7-36.6-176.7-65.5-176.9-177.9156.80.8114.2T96 Y97 K98 K129 V130R94-T96 PolarHBondContact O-N 3.34Å; R94-Y97 PolarHBondContact O-N 2.9Å; R94-Y97 VanDerWaalsContact O-N 3.16Å; R94-K98 PolarHBondContact O-N 2.74Å; R94-K129 HydrophobicContact CG-CB 3.93Å; R94-V130 HydrophobicContact CG-CG2 4.25Å
95V97Very high97.2Very high88 Ų8837.7 Ų37.753%0.53318%0.182SC..Hα-helixtrans-58-37.1179.366.30000112A93 Y97 K98 N99A93-V95 PolarHBondContact O-N 3.48Å; A93-V95 VanDerWaalsContact O-N 3.08Å; V95-Y97 VanDerWaalsContact C-N 3.3Å; V95-Y97 PolarHBondContact O-N 3.06Å; V95-K98 WeakPolarHBondContact O-CB 3.29Å; V95-K98 PolarHBondContact O-N 2.85Å; V95-N99 PolarHBondContact O-N 3.27Å; V95-N99 PolarHBondContact O-ND2 3.03Å
96T98Very high97Very high9 Ų938.6 Ų38.66%0.05519%0.187CC..Hα-helixtrans-68.1-32.9-17969.90000112D17 T20 D90 A93 R94D17-T96 HydrophobicContact CB-CG2 3.85Å; D17-T96 WeakPolarHBondContact OD2-CA 3.2Å; T20-T96 HydrophobicContact CG2-CG2 3.89Å; D90-T96 HydrophobicContact CB-CG2 4.24Å; D90-T96 PolarHBondContact N-OG1 3Å; D90-T96 PolarHBondContact O-OG1 3.37Å; A93-T96 HydrophobicContact CB-CG2 3.84Å; A93-T96 WeakPolarHBondContact O-CB 3.24Å; A93-T96 PolarHBondContact O-N 3.01Å; A93-T96 PolarHBondContact O-OG1 3.38Å; R94-T96 PolarHBondContact O-N 3.34Å
97Y98.3Very high96.7Very high18 Ų1838.6 Ų38.67%0.07119%0.187CC..Hα-helixtrans-73-41.7172.1-174.2-108.9000111.6F89 R94 V95 N99 V100 L118 V130 T134 I135 T136 F137F89-Y97 AromaticContact CD1-CD2 3.9Å; F89-Y97 HydrophobicContact CD1-CD2 3.9Å; F89-Y97 AromaticContact CD2-CD2 3.88Å; F89-Y97 HydrophobicContact CD2-CD2 3.88Å; F89-Y97 HydrophobicContact CD2-CG 4.31Å; F89-Y97 AromaticContact CE1-CD2 3.78Å; F89-Y97 HydrophobicContact CE1-CD2 3.78Å; F89-Y97 HydrophobicContact CE1-CE2 4.14Å; F89-Y97 AromaticContact CE2-CD2 3.79Å; F89-Y97 HydrophobicContact CE2-CD2 3.79Å; F89-Y97 HydrophobicContact CE2-CG 4.33Å; F89-Y97 AromaticContact CG-CD2 3.94Å; F89-Y97 HydrophobicContact CG-CD2 3.94Å; F89-Y97 AromaticContact CZ-CD2 3.74Å; F89-Y97 HydrophobicContact CZ-CD2 3.74Å; F89-Y97 HydrophobicContact CZ-CE2 4.22Å; R94-Y97 PolarHBondContact O-N 2.9Å; R94-Y97 VanDerWaalsContact O-N 3.16Å; V95-Y97 VanDerWaalsContact C-N 3.3Å; V95-Y97 PolarHBondContact O-N 3.06Å; Y97-N99 PolarHBondContact O-N 3.2Å; Y97-V100 HydrophobicContact CD2-CG2 4.13Å; Y97-V100 VanDerWaalsContact O-CB 3.3Å; Y97-V100 WeakPolarHBondContact O-CB 3.34Å; Y97-V100 WeakPolarHBondContact O-CG2 3.29Å; Y97-V100 PolarHBondContact O-N 2.93Å; Y97-L118 HydrophobicContact CE2-CD2 4.26Å; Y97-V130 HydrophobicContact CD1-CG1 4.08Å; Y97-V130 HydrophobicContact CD2-CG1 4.31Å; Y97-V130 HydrophobicContact CG-CG1 3.86Å; Y97-T134 VanDerWaalsContact CE1-O 3.29Å; Y97-T134 WeakPolarHBondContact CE1-O 3.06Å; Y97-I135 HydrophobicContact CE2-CB 4.36Å; Y97-I135 HydrophobicContact CE2-CG1 4.26Å; Y97-I135 HydrophobicContact CE2-CG2 3.87Å; Y97-I135 VanDerWaalsContact OH-CA 3.28Å; Y97-I135 WeakPolarHBondContact OH-CA 3.36Å; Y97-T136 PolarHBondContact OH-N 3.27Å; Y97-F137 WeakPolarHBondContact OH-CB 3.47Å; Y97-F137 PolarHBondContact OH-N 2.74Å
98K97.2Very high96.5Very high108 Ų10840.4 Ų40.447%0.4720%0.202SC..Hα-helixtrans-57.8-30.8175.2-173.5176.5-178176.90112.4R94 V95 P101 L215R94-K98 PolarHBondContact O-N 2.74Å; V95-K98 WeakPolarHBondContact O-CB 3.29Å; V95-K98 PolarHBondContact O-N 2.85Å; K98-P101 VanDerWaalsContact O-CD 3.27Å; K98-P101 WeakPolarHBondContact O-CD 3.45Å; K98-L215 WeakPolarHBondContact CE-OXT 3.3Å; K98-L215 HydrophobicContact CG-CD2 4.4Å
99N96.5Very high96.3Very high40 Ų4047.4 Ų47.421%0.21423%0.228CC..THydrogen-bonded Turntrans-84.2-9.5178.5-71.4-24.1000114.5D17 V95 Y97 P101 N102 W103D17-N99 WeakPolarHBondContact OD1-CB 3.38Å; D17-N99 PolarHBondContact OD1-ND2 3.26Å; D17-N99 PolarHBondContact OD2-ND2 2.83Å; V95-N99 PolarHBondContact O-N 3.27Å; V95-N99 PolarHBondContact O-ND2 3.03Å; Y97-N99 PolarHBondContact O-N 3.2Å; N99-P101 VanDerWaalsContact C-CD 3.48Å; N99-N102 WeakPolarHBondContact O-CB 3.27Å; N99-N102 PolarHBondContact O-N 2.92Å; N99-W103 VanDerWaalsContact O-CD1 3.26Å; N99-W103 PolarHBondContact O-N 2.89Å
100V97.5Very high96.1Very high1 Ų149.6 Ų49.61%0.00624%0.241CC..Hα-helixtrans-53.2-44.4178.2167.90000113I87 F89 Y97 N102 W103 H104 L118 F137I87-V100 HydrophobicContact CG2-CG1 4.21Å; I87-V100 HydrophobicContact CG2-CG2 4.31Å; F89-V100 HydrophobicContact CB-CG2 3.98Å; F89-V100 HydrophobicContact CD1-CG2 4.11Å; F89-V100 HydrophobicContact CG-CG2 4.3Å; Y97-V100 HydrophobicContact CD2-CG2 4.13Å; Y97-V100 VanDerWaalsContact O-CB 3.3Å; Y97-V100 WeakPolarHBondContact O-CB 3.34Å; Y97-V100 WeakPolarHBondContact O-CG2 3.29Å; Y97-V100 PolarHBondContact O-N 2.93Å; V100-N102 VanDerWaalsContact C-N 3.26Å; V100-N102 PolarHBondContact O-N 2.73Å; V100-W103 PolarHBondContact O-N 2.89Å; V100-H104 WeakPolarHBondContact O-CB 3.28Å; V100-H104 PolarHBondContact O-N 3.3Å; V100-L118 HydrophobicContact CB-CD1 4.48Å; V100-L118 HydrophobicContact CG1-CD1 3.66Å; V100-L118 HydrophobicContact CG1-CD2 4.49Å; V100-L118 HydrophobicContact CG2-CD1 3.91Å; V100-F137 HydrophobicContact CG1-CD1 3.51Å; V100-F137 HydrophobicContact CG1-CE1 3.77Å; V100-F137 HydrophobicContact CG1-CG 4.13Å
101P96.3Very high95.9Very high37 Ų3749.2 Ų49.224%0.2424%0.24CC..Hα-helixtrans-56.3-37.1175.2-25.534.7000113.9K98 N99 R105 F137K98-P101 VanDerWaalsContact O-CD 3.27Å; K98-P101 WeakPolarHBondContact O-CD 3.45Å; N99-P101 VanDerWaalsContact C-CD 3.48Å; P101-R105 VanDerWaalsContact O-CB 3.29Å; P101-R105 WeakPolarHBondContact O-CB 3.29Å; P101-R105 PolarHBondContact O-N 2.97Å; P101-F137 HydrophobicContact CB-CD2 4.34Å; P101-F137 HydrophobicContact CB-CE2 3.71Å; P101-F137 HydrophobicContact CB-CZ 4.24Å; P101-F137 HydrophobicContact CG-CD2 3.8Å; P101-F137 HydrophobicContact CG-CE2 3.7Å; P101-F137 HydrophobicContact CG-CZ 4.44Å
102N94.2Very high95.4Very high60 Ų6056.6 Ų56.632%0.32127%0.274SS..Hα-helixtrans-66.5-50177.8-67.2-41.8000111.1N99 V100 H104 R105 D106N99-N102 WeakPolarHBondContact O-CB 3.27Å; N99-N102 PolarHBondContact O-N 2.92Å; V100-N102 VanDerWaalsContact C-N 3.26Å; V100-N102 PolarHBondContact O-N 2.73Å; N102-H104 VanDerWaalsContact C-N 3.3Å; N102-H104 PolarHBondContact O-N 3.43Å; N102-R105 PolarHBondContact O-N 2.85Å; N102-R105 PolarHBondContact OD1-NH1 3.03Å; N102-R105 PolarHBondContact OD1-NH2 3.38Å; N102-D106 VanDerWaalsContact O-CG 3.22Å; N102-D106 PolarHBondContact O-N 3.49Å
103W95.6Very high95.1Very high4 Ų462.2 Ų62.22%0.01530%0.303CS..Hα-helixtrans-59.1-41.9176.4-71.5107.3000112.5V15 G16 D17 R75 Y79 I87 N99 V100 L107V15-W103 HydrophobicContact CB-CD2 4.39Å; V15-W103 HydrophobicContact CB-CE3 3.76Å; V15-W103 HydrophobicContact CB-CZ3 4.15Å; V15-W103 HydrophobicContact CG1-CE3 4.43Å; V15-W103 HydrophobicContact CG2-CB 4.28Å; V15-W103 HydrophobicContact CG2-CE3 4.33Å; G16-W103 VanDerWaalsContact C-CE2 3.4Å; G16-W103 VanDerWaalsContact C-CZ2 3.41Å; G16-W103 VanDerWaalsContact O-CZ2 3.3Å; G16-W103 WeakPolarHBondContact O-CZ2 3.28Å; D17-W103 PolarHBondContact OD1-NE1 3.28Å; R75-W103 HydrophobicContact CG-CZ3 4.46Å; R75-W103 VanDerWaalsContact NE-CH2 3.25Å; R75-W103 VanDerWaalsContact NH2-CH2 3.3Å; Y79-W103 WeakPolarHBondContact OH-CZ3 3.44Å; I87-W103 HydrophobicContact CG2-CB 4.11Å; N99-W103 VanDerWaalsContact O-CD1 3.26Å; N99-W103 PolarHBondContact O-N 2.89Å; V100-W103 PolarHBondContact O-N 2.89Å; W103-L107 VanDerWaalsContact O-CB 3.28Å; W103-L107 WeakPolarHBondContact O-CB 3.42Å; W103-L107 PolarHBondContact O-N 3.02Å
104H95.7Very high95.1Very high24 Ų2462.2 Ų62.211%0.11130%0.298CS..Hα-helixtrans-64.4-45.8176.3175.9-79.5000111.8I87 V100 N102 D106 L107 A108 F137I87-H104 HydrophobicContact CD1-CB 3.75Å; V100-H104 WeakPolarHBondContact O-CB 3.28Å; V100-H104 PolarHBondContact O-N 3.3Å; N102-H104 VanDerWaalsContact C-N 3.3Å; N102-H104 PolarHBondContact O-N 3.43Å; H104-D106 PolarHBondContact O-N 2.98Å; H104-L107 PolarHBondContact O-N 3.22Å; H104-A108 WeakPolarHBondContact O-CB 3.3Å; H104-A108 PolarHBondContact O-N 3.06Å; H104-F137 HydrophobicContact CB-CE1 3.67Å; H104-F137 HydrophobicContact CB-CZ 3.6Å; H104-F137 AromaticContact CD2-CE1 3.9Å; H104-F137 AromaticContact CG-CE1 3.71Å; H104-F137 AromaticContact CG-CZ 3.61Å; H104-F137 AromaticContact ND1-CZ 3.95Å
105R93.7Very high95.1Very high133 Ų13355 Ų5550%0.50228%0.275SS..Hα-helixtrans-58.1-48.3178.1178.3-165.564.7-136.7-9.1111.1P101 N102 A108 R109P101-R105 VanDerWaalsContact O-CB 3.29Å; P101-R105 WeakPolarHBondContact O-CB 3.29Å; P101-R105 PolarHBondContact O-N 2.97Å; N102-R105 PolarHBondContact O-N 2.85Å; N102-R105 PolarHBondContact OD1-NH1 3.03Å; N102-R105 PolarHBondContact OD1-NH2 3.38Å; R105-A108 PolarHBondContact O-N 3.29Å; R105-R109 WeakPolarHBondContact O-CB 3.5Å; R105-R109 PolarHBondContact O-N 3.41Å
106D93.1Very high95.2Very high19 Ų1951.4 Ų51.410%0.10225%0.252CS..Hα-helixtrans-67.3-39-176.9-60.9-8.6000111.1Y79 N102 H104Y79-D106 HydrophobicContact CE2-CB 4.1Å; N102-D106 VanDerWaalsContact O-CG 3.22Å; N102-D106 PolarHBondContact O-N 3.49Å; H104-D106 PolarHBondContact O-N 2.98Å
107L94.3Very high95.2Very high0 Ų051 Ų510%025%0.25CC..Hα-helixtrans-64.8-49.7173.8-178.671000112V13 Y79 A85 W103 H104 R109 V110 C111 I114 I116V13-L107 HydrophobicContact CB-CD1 4.35Å; V13-L107 HydrophobicContact CG1-CD1 4.37Å; Y79-L107 HydrophobicContact CD1-CD1 4.12Å; Y79-L107 HydrophobicContact CD2-CD1 4.43Å; Y79-L107 HydrophobicContact CG-CD1 4.06Å; A85-L107 HydrophobicContact CB-CD1 4.26Å; A85-L107 HydrophobicContact CB-CD2 3.38Å; A85-L107 HydrophobicContact CB-CG 4.44Å; W103-L107 VanDerWaalsContact O-CB 3.28Å; W103-L107 WeakPolarHBondContact O-CB 3.42Å; W103-L107 PolarHBondContact O-N 3.02Å; H104-L107 PolarHBondContact O-N 3.22Å; L107-R109 PolarHBondContact O-N 3.28Å; L107-V110 PolarHBondContact O-N 3.26Å; L107-C111 PolarHBondContact O-N 3.26Å; L107-I114 HydrophobicContact CD1-CD1 4.34Å; L107-I114 HydrophobicContact CD2-CD1 4.3Å; L107-I114 HydrophobicContact CG-CD1 4.38Å; L107-I116 HydrophobicContact CD2-CD1 3.68Å; L107-I116 HydrophobicContact CD2-CG1 4.03Å
108A93.5Very high95.3Very high38 Ų3850.1 Ų50.131%0.31425%0.246SC..Hα-helixtrans-66-24.3-177.600000112.9H104 R105 V110H104-A108 WeakPolarHBondContact O-CB 3.3Å; H104-A108 PolarHBondContact O-N 3.06Å; R105-A108 PolarHBondContact O-N 3.29Å; A108-V110 VanDerWaalsContact C-N 3.28Å; A108-V110 PolarHBondContact O-N 2.84Å
109R92.9Very high95.3Very high148 Ų14845 Ų4556%0.55822%0.224SC*.Hα-helixtrans-64.5-31.4172179.8177.565.8-165-4112.7D76 R105 L107D76-R109 IonicContact OD1-CZ 2.81Å; D76-R109 IonicContact OD1-NE 3.25Å; D76-R109 IonicContact OD1-NH2 3.67Å; D76-R109 PolarHBondContact OD1-NH2 2.93Å; D76-R109 IonicContact OD2-CZ 3.36Å; D76-R109 IonicContact OD2-NE 2.89Å; D76-R109 IonicContact OD2-NH2 2.66Å; D76-R109 PolarHBondContact OD2-NH2 2.73Å; R105-R109 WeakPolarHBondContact O-CB 3.5Å; R105-R109 PolarHBondContact O-N 3.41Å; L107-R109 PolarHBondContact O-N 3.28Å
110V94.8Very high95.4Very high46 Ų4643 Ų4328%0.27921%0.214SC..Hα-helixtrans-103-37.5-176.2-176.60000112D76 Y79 I80 L107 A108D76-V110 HydrophobicContact CB-CG2 4.01Å; Y79-V110 HydrophobicContact CD2-CB 4.39Å; Y79-V110 HydrophobicContact CD2-CG2 4.11Å; I80-V110 HydrophobicContact CG1-CG1 4.05Å; L107-V110 PolarHBondContact O-N 3.26Å; A108-V110 VanDerWaalsContact C-N 3.28Å; A108-V110 PolarHBondContact O-N 2.84Å
111C93.6Very high95.5Very high9 Ų943 Ų436%0.06121%0.213CC..SBendtrans-116.396-178.4-60.50000110.3Y79 L107 I114Y79-C111 PolarHBondContact O-SG 2.79Å; L107-C111 PolarHBondContact O-N 3.26Å; C111-I114 HydrophobicContact CB-CD1 3.55Å; C111-I114 HydrophobicContact CB-CG1 3.85Å; C111-I114 HydrophobicContact CB-CG2 4.02Å
112E89.1Confident95.5Very high155 Ų15542.7 Ų42.772%0.72421%0.208SC*.THydrogen-bonded Turntrans-73.6133.7176.4-63.6-176.1-177.700111I114E112-I114 VanDerWaalsContact C-N 3.32Å; E112-I114 PolarHBondContact O-N 3.19Å
113N91.2Very high95.6Very high162 Ų16239.9 Ų39.987%0.86619%0.193SC*.THydrogen-bonded Turntrans58.929.3168.7-56.5-49.2000116.9
114I97.3Very high95.5Very high28 Ų2841 Ų4114%0.14420%0.2CC..  trans-81.8149.7173.860.2163.5000112.1G82 Q83 A85 L107 C111 E112 I116G82-I114 WeakPolarHBondContact O-CG2 3.31Å; Q83-I114 WeakPolarHBondContact O-CB 3.46Å; A85-I114 HydrophobicContact CB-CD1 4.07Å; L107-I114 HydrophobicContact CD1-CD1 4.34Å; L107-I114 HydrophobicContact CD2-CD1 4.3Å; L107-I114 HydrophobicContact CG-CD1 4.38Å; C111-I114 HydrophobicContact CB-CD1 3.55Å; C111-I114 HydrophobicContact CB-CG1 3.85Å; C111-I114 HydrophobicContact CB-CG2 4.02Å; E112-I114 VanDerWaalsContact C-N 3.32Å; E112-I114 PolarHBondContact O-N 3.19Å; I114-I116 HydrophobicContact CD1-CG1 4.33Å; I114-I116 HydrophobicContact CG1-CD1 4.27Å; I114-I116 HydrophobicContact CG1-CG1 4.01Å; I114-I116 PolarHBondContact O-N 2.81Å
115P98.2Very high95.4Very high29 Ų2942.6 Ų42.619%0.18821%0.211CC..  trans-63.1128.1169.8-20.933.3000111Q83 C84 A85 W162 L163 K166 L167Q83-P115 WeakPolarHBondContact O-CD 3.37Å; C84-P115 VanDerWaalsContact CA-O 3.28Å; C84-P115 WeakPolarHBondContact CA-O 3.28Å; A85-P115 PolarHBondContact N-O 2.8Å; P115-W162 HydrophobicContact CB-CH2 4.38Å; P115-W162 HydrophobicContact CB-CZ3 3.84Å; P115-L163 HydrophobicContact CB-CD2 3.84Å; P115-L163 WeakPolarHBondContact O-CD2 3.44Å; P115-K166 HydrophobicContact CB-CB 3.91Å; P115-K166 HydrophobicContact CB-CG 4.46Å; P115-K166 HydrophobicContact CG-CB 3.84Å; P115-L167 HydrophobicContact CG-CD2 4.31Å; P115-L167 HydrophobicContact CG-CG 4.48Å
116I98.5Very high95.3Very high11 Ų1144.6 Ų44.66%0.05622%0.223CC..EExtended strand (participates in β ladder)trans-128.1133.3-180-57165.2000109.7A85 I87 L107 I114 L143 Q144A85-I116 HydrophobicContact CB-CG1 4.18Å; A85-I116 HydrophobicContact CB-CG2 4.47Å; A85-I116 WeakPolarHBondContact O-CA 3.43Å; I87-I116 HydrophobicContact CD1-CG2 3.92Å; I87-I116 HydrophobicContact CG1-CG2 3.86Å; L107-I116 HydrophobicContact CD2-CD1 3.68Å; L107-I116 HydrophobicContact CD2-CG1 4.03Å; I114-I116 HydrophobicContact CD1-CG1 4.33Å; I114-I116 HydrophobicContact CG1-CD1 4.27Å; I114-I116 HydrophobicContact CG1-CG1 4.01Å; I114-I116 PolarHBondContact O-N 2.81Å; I116-L143 HydrophobicContact CB-CD2 3.97Å; I116-L143 HydrophobicContact CD1-CD2 4.45Å; I116-L143 HydrophobicContact CG2-CD1 4.22Å; I116-L143 HydrophobicContact CG2-CD2 4.37Å; I116-Q144 PolarHBondContact O-N 2.75Å
117V98.6Very high95.3Very high0 Ų048.2 Ų48.20%024%0.243CC..EExtended strand (participates in β ladder)trans-108.4129.9170.2-178.80000109.6A85 I86 I87 Q144 Y146 P159 W162 L163A85-V117 PolarHBondContact O-N 2.47Å; I86-V117 CarbonylContact C-O 3.56Å; I86-V117 VanDerWaalsContact CA-O 3.3Å; I86-V117 WeakPolarHBondContact CA-O 3.48Å; I86-V117 HydrophobicContact CG1-CB 4.42Å; I87-V117 PolarHBondContact N-O 2.98Å; V117-Q144 CarbonylContact C-O 3.55Å; V117-Q144 WeakPolarHBondContact CA-O 3.38Å; V117-Q144 HydrophobicContact CG2-CB 4.26Å; V117-Y146 HydrophobicContact CG1-CD2 3.74Å; V117-Y146 HydrophobicContact CG1-CE2 4.26Å; V117-P159 HydrophobicContact CB-CB 4.44Å; V117-P159 HydrophobicContact CG1-CB 3.97Å; V117-P159 HydrophobicContact CG1-CG 4.4Å; V117-W162 HydrophobicContact CG2-CD2 4.17Å; V117-W162 HydrophobicContact CG2-CE3 3.4Å; V117-W162 HydrophobicContact CG2-CZ3 3.86Å; V117-L163 HydrophobicContact CG2-CD1 4.32Å; V117-L163 HydrophobicContact CG2-CD2 3.73Å; V117-L163 HydrophobicContact CG2-CG 3.71Å
118L98.7Very high95.3Very high0 Ų048.4 Ų48.40%024%0.243CC..EExtended strand (participates in β ladder)trans-90.1125.2167.4-17965.9000109.3I87 F89 Y97 V100 I135 H138 Q144 Y145 Y146I87-L118 HydrophobicContact CB-CD1 4.1Å; I87-L118 HydrophobicContact CG2-CD1 4.13Å; I87-L118 CarbonylContact O-C 3.52Å; I87-L118 WeakPolarHBondContact O-CA 3.3Å; F89-L118 HydrophobicContact CD1-CD1 3.75Å; F89-L118 HydrophobicContact CD1-CG 4.19Å; F89-L118 HydrophobicContact CE1-CD1 3.99Å; F89-L118 HydrophobicContact CE1-CD2 4.16Å; F89-L118 HydrophobicContact CE1-CG 3.9Å; Y97-L118 HydrophobicContact CE2-CD2 4.26Å; V100-L118 HydrophobicContact CB-CD1 4.48Å; V100-L118 HydrophobicContact CG1-CD1 3.66Å; V100-L118 HydrophobicContact CG1-CD2 4.49Å; V100-L118 HydrophobicContact CG2-CD1 3.91Å; L118-I135 HydrophobicContact CD2-CG2 4.29Å; L118-H138 HydrophobicContact CD2-CB 4.05Å; L118-Q144 PolarHBondContact N-O 3.26Å; L118-Y145 HydrophobicContact CB-CD2 4.13Å; L118-Y145 HydrophobicContact CD2-CD2 3.93Å; L118-Y145 HydrophobicContact CD2-CE2 4.46Å; L118-Y145 HydrophobicContact CG-CD2 3.89Å; L118-Y145 HydrophobicContact CG-CE2 4.35Å; L118-Y145 WeakPolarHBondContact O-CA 3.37Å; L118-Y145 VanDerWaalsContact O-CD2 3.3Å; L118-Y145 WeakPolarHBondContact O-CD2 3.45Å; L118-Y146 PolarHBondContact O-N 2.96Å
119C98.7Very high95.5Very high0 Ų050.6 Ų50.60%025%0.246CC..EExtended strand (participates in β ladder)trans-116.7123.7179-68.50000111.2I86 I87 M88 F89 Y146 I148 P159I86-C119 HydrophobicContact CG2-CB 4.21Å; I87-C119 PolarHBondContact O-N 2.84Å; M88-C119 WeakPolarHBondContact CA-O 3.4Å; M88-C119 HydrophobicContact CG-CB 4.5Å; F89-C119 VanDerWaalsContact CD1-O 3.28Å; F89-C119 WeakPolarHBondContact CD1-O 3.46Å; F89-C119 PolarHBondContact N-O 2.93Å; C119-Y146 WeakPolarHBondContact CA-O 3.18Å; C119-I148 HydrophobicContact CB-CD1 3.81Å; C119-I148 HydrophobicContact CB-CG1 4.15Å; C119-P159 VanDerWaalsContact SG-CG 3.51Å
120G98.5Very high95.7Very high0 Ų043.7 Ų43.70%022%0.22CC..EExtended strand (participates in β ladder)trans-92.5103.916700000109.7F89 Y146 I148F89-G120 VanDerWaalsContact CZ-CA 3.45Å; G120-Y146 PolarHBondContact N-O 2.92Å; G120-I148 PolarHBondContact O-N 3.26Å
121N98.2Very high95.7Very high0 Ų045.2 Ų45.20%022%0.223CC..EExtended strand (participates in β ladder)trans-89.2165.5-177.6-16724.4000112.5T20 M88 F89 V91 I148 A150T20-N121 WeakPolarHBondContact O-CB 3.32Å; T20-N121 PolarHBondContact O-ND2 2.94Å; M88-N121 HydrophobicContact CG-CB 4.03Å; M88-N121 HydrophobicContact SD-CB 4Å; F89-N121 PolarHBondContact O-N 3.07Å; V91-N121 WeakPolarHBondContact CG1-O 3.46Å; V91-N121 WeakPolarHBondContact CG2-O 3.41Å; V91-N121 PolarHBondContact N-O 3.47Å; N121-I148 CarbonylContact C-O 3.59Å; N121-I148 VanDerWaalsContact CA-O 3.29Å; N121-I148 WeakPolarHBondContact CA-O 3.38Å; N121-I148 HydrophobicContact CB-CD1 4.25Å; N121-I148 HydrophobicContact CB-CG1 3.96Å; N121-I148 PolarHBondContact OD1-O 3.03Å; N121-A150 PolarHBondContact OD1-N 3.08Å
122F96.6Very high95.7Very high31 Ų3145.1 Ų45.114%0.13622%0.222CC..  trans68.332.8-179.9-51.5-34000115.1G19 D90 T92 D124 V125 I148G19-F122 WeakPolarHBondContact O-CE2 3.22Å; D90-F122 HydrophobicContact CB-CD2 4.14Å; D90-F122 HydrophobicContact CB-CE2 4.38Å; D90-F122 WeakPolarHBondContact OD1-CD2 3.33Å; D90-F122 WeakPolarHBondContact OD2-CD2 3.37Å; T92-F122 HydrophobicContact CG2-CB 4.35Å; F122-D124 WeakPolarHBondContact CA-OD1 3.38Å; F122-D124 PolarHBondContact O-N 2.85Å; F122-D124 VanDerWaalsContact O-N 3.16Å; F122-V125 HydrophobicContact CB-CG2 4.16Å; F122-V125 WeakPolarHBondContact O-CB 3.39Å; F122-V125 PolarHBondContact O-N 2.66Å; F122-I148 PolarHBondContact N-O 2.8Å
123V96.7Very high96Very high0 Ų045.6 Ų45.60%022%0.222CC..THydrogen-bonded Turntrans-65.9-12.2173.7-580000113.5V91 V125 D147 I148 Y154 M188 M192 Y196V91-V123 HydrophobicContact CG1-CG1 4.02Å; V91-V123 HydrophobicContact CG2-CG1 4.15Å; V123-V125 PolarHBondContact O-N 3.3Å; V123-D147 HydrophobicContact CG1-CB 3.84Å; V123-I148 WeakPolarHBondContact CG2-O 2.88Å; V123-I148 PolarHBondContact N-O 2.89Å; V123-Y154 HydrophobicContact CG2-CD1 3.67Å; V123-Y154 HydrophobicContact CG2-CE1 4.16Å; V123-M188 HydrophobicContact CB-CE 4.36Å; V123-M188 HydrophobicContact CG2-CE 3.62Å; V123-M188 HydrophobicContact CG2-SD 4.17Å; V123-M192 WeakPolarHBondContact O-CE 3.12Å; V123-Y196 HydrophobicContact CB-CD2 4.24Å; V123-Y196 HydrophobicContact CB-CE2 3.99Å; V123-Y196 WeakPolarHBondContact O-CE2 3.4Å
124D94.3Very high96.1Very high29 Ų2940.9 Ų40.916%0.15520%0.2CC..THydrogen-bonded Turntrans-65.2-18.316954.9-69.9000113.6F122 S149 V186 M188F122-D124 WeakPolarHBondContact CA-OD1 3.38Å; F122-D124 PolarHBondContact O-N 2.85Å; F122-D124 VanDerWaalsContact O-N 3.16Å; D124-S149 WeakPolarHBondContact CB-OG 3.48Å; D124-S149 WeakPolarHBondContact OD1-CB 3.12Å; D124-S149 PolarHBondContact OD1-OG 3.26Å; D124-V186 HydrophobicContact CB-CG2 3.74Å; D124-M188 WeakPolarHBondContact CA-SD 3.4Å; D124-M188 HydrophobicContact CB-SD 3.62Å
125V93.5Very high96Very high56 Ų5639.8 Ų39.834%0.33919%0.194SC..SBendtrans-85.3121.4-180-177.60000110.5T92 F122 V123 D127T92-V125 HydrophobicContact CG2-CB 3.67Å; T92-V125 HydrophobicContact CG2-CG1 3.74Å; T92-V125 HydrophobicContact CG2-CG2 4.14Å; F122-V125 HydrophobicContact CB-CG2 4.16Å; F122-V125 WeakPolarHBondContact O-CB 3.39Å; F122-V125 PolarHBondContact O-N 2.66Å; V123-V125 PolarHBondContact O-N 3.3Å; V125-D127 VanDerWaalsContact C-N 3.29Å; V125-D127 PolarHBondContact O-N 2.86Å
126K90.5Very high95.9Very high176 Ų17639.4 Ų39.477%0.76519%0.191SC*.SBendtrans-58.2-36.4-178.3-66.2-172177.4-172.90113.6R128K126-R128 PolarHBondContact O-N 2.8Å
127D92.8Very high95.8Very high95 Ų9540 Ų4051%0.50819%0.193SC..  trans-81.954.4-178.8-168.221.9000112.9V125 K129V125-D127 VanDerWaalsContact C-N 3.29Å; V125-D127 PolarHBondContact O-N 2.86Å; D127-K129 VanDerWaalsContact CG-CE 3.45Å; D127-K129 PolarHBondContact O-N 3.13Å; D127-K129 WeakPolarHBondContact OD1-CE 3.48Å; D127-K129 IonicContact OD1-NZ 2.87Å; D127-K129 PolarHBondContact OD1-NZ 3.36Å; D127-K129 WeakPolarHBondContact OD2-CE 3.29Å; D127-K129 IonicContact OD2-NZ 3.5Å; D127-K129 PolarHBondContact OD2-NZ 3.31Å
128R95.9Very high95.6Very high4 Ų441.5 Ų41.52%0.01520%0.2CC..  trans-64.4116.6177.2178.9178.7-175.2151.310.3110.9V91 K126 V130 K131 D147 Y196V91-R128 HydrophobicContact CB-CG 4.03Å; V91-R128 HydrophobicContact CG2-CB 4.49Å; V91-R128 HydrophobicContact CG2-CG 3.96Å; K126-R128 PolarHBondContact O-N 2.8Å; R128-V130 WeakPolarHBondContact CG-O 3.33Å; R128-V130 PolarHBondContact NE-O 2.98Å; R128-K131 HydrophobicContact CG-CD 4.19Å; R128-K131 WeakPolarHBondContact O-CE 3.23Å; R128-K131 PolarHBondContact O-NZ 2.79Å; R128-D147 IonicContact CZ-OD1 3.93Å; R128-D147 IonicContact CZ-OD2 2.59Å; R128-D147 IonicContact NH1-OD1 3.19Å; R128-D147 IonicContact NH1-OD2 3.56Å; R128-D147 PolarHBondContact NH1-OD2 3.49Å; R128-D147 IonicContact NH2-OD1 3.88Å; R128-D147 PolarHBondContact NH2-OD1 3.02Å; R128-D147 IonicContact NH2-OD2 2.8Å; R128-D147 PolarHBondContact NH2-OD2 2.98Å; R128-Y196 VanDerWaalsContact NH1-CD1 3.31Å
129K97Very high95.3Very high83 Ų8345.5 Ų45.536%0.36122%0.215SC..  trans-93-29.4-178.9-58.7-56.6-172.3-168.10114.5V91 T92 R94 D127V91-K129 CarbonylContact O-C 3.51Å; V91-K129 WeakPolarHBondContact O-CA 3.43Å; V91-K129 PolarHBondContact O-N 3.47Å; T92-K129 WeakPolarHBondContact O-CG 3.33Å; R94-K129 HydrophobicContact CG-CB 3.93Å; D127-K129 VanDerWaalsContact CG-CE 3.45Å; D127-K129 PolarHBondContact O-N 3.13Å; D127-K129 WeakPolarHBondContact OD1-CE 3.48Å; D127-K129 IonicContact OD1-NZ 2.87Å; D127-K129 PolarHBondContact OD1-NZ 3.36Å; D127-K129 WeakPolarHBondContact OD2-CE 3.29Å; D127-K129 IonicContact OD2-NZ 3.5Å; D127-K129 PolarHBondContact OD2-NZ 3.31Å
130V96.9Very high95Very high4 Ų449.8 Ų49.82%0.02423%0.234CC..SBendtrans-102104177.3-1720000107.9F89 V91 R94 Y97 R128 I135F89-V130 HydrophobicContact CE2-CB 4.19Å; F89-V130 HydrophobicContact CE2-CG1 3.89Å; V91-V130 PolarHBondContact O-N 3.09Å; R94-V130 HydrophobicContact CG-CG2 4.25Å; Y97-V130 HydrophobicContact CD1-CG1 4.08Å; Y97-V130 HydrophobicContact CD2-CG1 4.31Å; Y97-V130 HydrophobicContact CG-CG1 3.86Å; R128-V130 WeakPolarHBondContact CG-O 3.33Å; R128-V130 PolarHBondContact NE-O 2.98Å; V130-I135 HydrophobicContact CG1-CD1 3.96Å; V130-I135 HydrophobicContact CG1-CG1 3.6Å
131K95.2Very high94.8Very high78 Ų7855 Ų5534%0.33926%0.257SS..  trans-89.7158.5-174.3-60.4-59.4-168.3-172.60110.8R128 K133 T134 I135R128-K131 HydrophobicContact CG-CD 4.19Å; R128-K131 WeakPolarHBondContact O-CE 3.23Å; R128-K131 PolarHBondContact O-NZ 2.79Å; K131-K133 HydrophobicContact CB-CG 4.24Å; K131-K133 PolarHBondContact O-N 3.32Å; K131-K133 VanDerWaalsContact O-N 3.13Å; K131-T134 PolarHBondContact N-OG1 3.17Å; K131-T134 PolarHBondContact O-N 2.9Å; K131-T134 PolarHBondContact O-OG1 3.28Å; K131-I135 WeakPolarHBondContact O-CG1 3.06Å
132A94.3Very high94.6Very high6 Ų662.1 Ų62.15%0.0530%0.295CS..G310 helixtrans-50-43.8-179.400000113.1T134 I135 E199 I200 A203A132-T134 PolarHBondContact O-N 3.35Å; A132-T134 VanDerWaalsContact O-N 3.16Å; A132-I135 PolarHBondContact O-N 2.65Å; A132-E199 HydrophobicContact CB-CB 3.83Å; A132-E199 WeakPolarHBondContact CB-O 3.31Å; A132-I200 HydrophobicContact CB-CG1 4.03Å; A132-A203 HydrophobicContact CB-CB 4.06Å
133K93.4Very high94.6Very high165 Ų16561.5 Ų61.572%0.71729%0.293SS*.G310 helixtrans-59.2-25.8178.269.7177.3-175.7174.30115.3K131K131-K133 HydrophobicContact CB-CG 4.24Å; K131-K133 PolarHBondContact O-N 3.32Å; K131-K133 VanDerWaalsContact O-N 3.13Å
134T93.6Very high94.6Very high64 Ų6464.3 Ų64.339%0.39331%0.306SS..G310 helixtrans-89.7-9.7179.361.50000112.3Y97 K131 A132 T136Y97-T134 VanDerWaalsContact CE1-O 3.29Å; Y97-T134 WeakPolarHBondContact CE1-O 3.06Å; K131-T134 PolarHBondContact N-OG1 3.17Å; K131-T134 PolarHBondContact O-N 2.9Å; K131-T134 PolarHBondContact O-OG1 3.28Å; A132-T134 PolarHBondContact O-N 3.35Å; A132-T134 VanDerWaalsContact O-N 3.16Å; T134-T136 PolarHBondContact O-N 2.76Å
135I96Very high94.8Very high5 Ų563.7 Ų63.73%0.02630%0.301CS..  trans-92.980.2-174-58.4164.5000108.8F89 Y97 L118 V130 K131 A132 H138 Y145F89-I135 HydrophobicContact CE2-CD1 4.42Å; F89-I135 HydrophobicContact CZ-CD1 3.87Å; F89-I135 HydrophobicContact CZ-CG1 4.21Å; F89-I135 HydrophobicContact CZ-CG2 4.44Å; Y97-I135 HydrophobicContact CE2-CB 4.36Å; Y97-I135 HydrophobicContact CE2-CG1 4.26Å; Y97-I135 HydrophobicContact CE2-CG2 3.87Å; Y97-I135 VanDerWaalsContact OH-CA 3.28Å; Y97-I135 WeakPolarHBondContact OH-CA 3.36Å; L118-I135 HydrophobicContact CD2-CG2 4.29Å; V130-I135 HydrophobicContact CG1-CD1 3.96Å; V130-I135 HydrophobicContact CG1-CG1 3.6Å; K131-I135 WeakPolarHBondContact O-CG1 3.06Å; A132-I135 PolarHBondContact O-N 2.65Å; I135-H138 PolarHBondContact O-CE1 3.18Å; I135-H138 PolarHBondContact O-ND1 3.2Å; I135-H138 VanDerWaalsContact O-ND1 3.13Å; I135-Y145 HydrophobicContact CD1-CE1 4.28Å; I135-Y145 HydrophobicContact CD1-CE2 4.38Å; I135-Y145 VanDerWaalsContact CD1-OH 3.31Å; I135-Y145 WeakPolarHBondContact CD1-OH 3.43Å; I135-Y145 HydrophobicContact CG2-CD1 4.49Å; I135-Y145 HydrophobicContact CG2-CD2 3.95Å; I135-Y145 HydrophobicContact CG2-CE1 4.37Å; I135-Y145 HydrophobicContact CG2-CE2 3.8Å; I135-Y145 HydrophobicContact CG2-CG 4.3Å
136T95.5Very high95Very high21 Ų2163.2 Ų63.213%0.12929%0.294CS..  trans-108-18.7-17457.20000113.7Y97 T134 H138 R139 K140 L208Y97-T136 PolarHBondContact OH-N 3.27Å; T134-T136 PolarHBondContact O-N 2.76Å; T136-H138 VanDerWaalsContact C-N 3.27Å; T136-H138 PolarHBondContact O-N 2.95Å; T136-H138 VanDerWaalsContact O-N 3.15Å; T136-R139 WeakPolarHBondContact O-CB 3.46Å; T136-R139 PolarHBondContact O-N 3.45Å; T136-K140 PolarHBondContact O-N 3.22Å; T136-L208 HydrophobicContact CG2-CD2 4.03Å
137F96.3Very high95.4Very high22 Ų2254.9 Ų54.910%0.09626%0.258CS..Hα-helixtrans-53.1-40.5-175.3-174.3-98.8000114.1Y97 V100 P101 H104 R139 K140 K141 L143Y97-F137 WeakPolarHBondContact OH-CB 3.47Å; Y97-F137 PolarHBondContact OH-N 2.74Å; V100-F137 HydrophobicContact CG1-CD1 3.51Å; V100-F137 HydrophobicContact CG1-CE1 3.77Å; V100-F137 HydrophobicContact CG1-CG 4.13Å; P101-F137 HydrophobicContact CB-CD2 4.34Å; P101-F137 HydrophobicContact CB-CE2 3.71Å; P101-F137 HydrophobicContact CB-CZ 4.24Å; P101-F137 HydrophobicContact CG-CD2 3.8Å; P101-F137 HydrophobicContact CG-CE2 3.7Å; P101-F137 HydrophobicContact CG-CZ 4.44Å; H104-F137 HydrophobicContact CB-CE1 3.67Å; H104-F137 HydrophobicContact CB-CZ 3.6Å; H104-F137 AromaticContact CD2-CE1 3.9Å; H104-F137 AromaticContact CG-CE1 3.71Å; H104-F137 AromaticContact CG-CZ 3.61Å; H104-F137 AromaticContact ND1-CZ 3.95Å; F137-R139 VanDerWaalsContact C-N 3.27Å; F137-R139 PolarHBondContact O-N 2.87Å; F137-K140 PolarHBondContact O-N 3.02Å; F137-K141 HydrophobicContact CD1-CG 4.38Å; F137-K141 HydrophobicContact CD2-CG 4.49Å; F137-K141 HydrophobicContact CE1-CB 4.31Å; F137-K141 HydrophobicContact CE1-CG 3.79Å; F137-K141 HydrophobicContact CE2-CG 3.91Å; F137-K141 HydrophobicContact CZ-CD 4.48Å; F137-K141 HydrophobicContact CZ-CG 3.53Å; F137-K141 PolarHBondContact O-N 3.34Å; F137-K141 VanDerWaalsContact O-N 3.08Å; F137-L143 HydrophobicContact CD1-CD1 4.2Å; F137-L143 HydrophobicContact CE1-CD1 4.01Å
138H95.2Very high95.6Very high33 Ų3350.4 Ų50.415%0.15323%0.234CC..Hα-helixtrans-61.4-34.9179.870.8-84000112.5L118 I135 T136 K141 N142 L143L118-H138 HydrophobicContact CD2-CB 4.05Å; I135-H138 PolarHBondContact O-CE1 3.18Å; I135-H138 PolarHBondContact O-ND1 3.2Å; I135-H138 VanDerWaalsContact O-ND1 3.13Å; T136-H138 VanDerWaalsContact C-N 3.27Å; T136-H138 PolarHBondContact O-N 2.95Å; T136-H138 VanDerWaalsContact O-N 3.15Å; H138-K141 PolarHBondContact O-N 3.3Å; H138-N142 CarbonylContact O-C 3.59Å; H138-N142 WeakPolarHBondContact O-CA 2.96Å; H138-N142 PolarHBondContact O-N 3.05Å; H138-L143 HydrophobicContact CB-CB 4Å; H138-L143 PolarHBondContact O-N 2.99Å
139R93.1Very high95.6Very high83 Ų8350.2 Ų50.231%0.31323%0.233SC..Hα-helixtrans-68.5-43.3176.1-61.917560.9-167.3-1.5110.9T136 F137 K141 N142 A203 A206 L208T136-R139 WeakPolarHBondContact O-CB 3.46Å; T136-R139 PolarHBondContact O-N 3.45Å; F137-R139 VanDerWaalsContact C-N 3.27Å; F137-R139 PolarHBondContact O-N 2.87Å; R139-K141 VanDerWaalsContact C-N 3.28Å; R139-K141 PolarHBondContact O-N 3.16Å; R139-N142 PolarHBondContact O-N 3.02Å; R139-A203 PolarHBondContact NH1-O 3.23Å; R139-A203 VanDerWaalsContact NH1-O 3.1Å; R139-A206 VanDerWaalsContact CZ-O 3.23Å; R139-A206 PolarHBondContact NH1-O 3.5Å; R139-A206 PolarHBondContact NH2-O 3.45Å; R139-L208 HydrophobicContact CB-CD1 4.26Å; R139-L208 HydrophobicContact CB-CD2 3.99Å; R139-L208 HydrophobicContact CG-CD2 4.48Å
140K91.5Very high95.3Very high91 Ų9146.2 Ų46.240%0.39622%0.216SC..Hα-helixtrans-64.5-29.6178.5-59.9-171.8-177-172.30113.1T136 F137 L208 D211T136-K140 PolarHBondContact O-N 3.22Å; F137-K140 PolarHBondContact O-N 3.02Å; K140-L208 HydrophobicContact CG-CD1 4.49Å; K140-D211 WeakPolarHBondContact CE-OD1 2.96Å; K140-D211 IonicContact NZ-OD1 2.65Å; K140-D211 PolarHBondContact NZ-OD1 2.57Å
141K94.3Very high95Very high109 Ų10949.8 Ų49.847%0.47423%0.231SC..Hα-helixtrans-109.16.6-177.6-63-56.2-176.1-172.70114.6F137 H138 R139 L143F137-K141 HydrophobicContact CD1-CG 4.38Å; F137-K141 HydrophobicContact CD2-CG 4.49Å; F137-K141 HydrophobicContact CE1-CB 4.31Å; F137-K141 HydrophobicContact CE1-CG 3.79Å; F137-K141 HydrophobicContact CE2-CG 3.91Å; F137-K141 HydrophobicContact CZ-CD 4.48Å; F137-K141 HydrophobicContact CZ-CG 3.53Å; F137-K141 PolarHBondContact O-N 3.34Å; F137-K141 VanDerWaalsContact O-N 3.08Å; H138-K141 PolarHBondContact O-N 3.3Å; R139-K141 VanDerWaalsContact C-N 3.28Å; R139-K141 PolarHBondContact O-N 3.16Å; K141-L143 VanDerWaalsContact C-N 3.31Å; K141-L143 HydrophobicContact CB-CD1 4.14Å; K141-L143 HydrophobicContact CB-CD2 4.02Å; K141-L143 HydrophobicContact CB-CG 3.77Å; K141-L143 VanDerWaalsContact O-CD2 3.32Å; K141-L143 WeakPolarHBondContact O-CD2 3.46Å; K141-L143 PolarHBondContact O-N 3.39Å
142N93.4Very high94.8Very high149 Ų14946.9 Ų46.980%0.79722%0.22SC*.THydrogen-bonded Turntrans54.743.5-177.1-167.632.9000113.6H138 R139H138-N142 CarbonylContact O-C 3.59Å; H138-N142 WeakPolarHBondContact O-CA 2.96Å; H138-N142 PolarHBondContact O-N 3.05Å; R139-N142 PolarHBondContact O-N 3.02Å
143L97.1Very high94.7Very high19 Ų1948 Ų4810%0.09923%0.226CC..  trans-97.6151.4176.7-43.4-175.6000109.9I116 F137 H138 K141I116-L143 HydrophobicContact CB-CD2 3.97Å; I116-L143 HydrophobicContact CD1-CD2 4.45Å; I116-L143 HydrophobicContact CG2-CD1 4.22Å; I116-L143 HydrophobicContact CG2-CD2 4.37Å; F137-L143 HydrophobicContact CD1-CD1 4.2Å; F137-L143 HydrophobicContact CE1-CD1 4.01Å; H138-L143 HydrophobicContact CB-CB 4Å; H138-L143 PolarHBondContact O-N 2.99Å; K141-L143 VanDerWaalsContact C-N 3.31Å; K141-L143 HydrophobicContact CB-CD1 4.14Å; K141-L143 HydrophobicContact CB-CD2 4.02Å; K141-L143 HydrophobicContact CB-CG 3.77Å; K141-L143 VanDerWaalsContact O-CD2 3.32Å; K141-L143 WeakPolarHBondContact O-CD2 3.46Å; K141-L143 PolarHBondContact O-N 3.39Å
144Q97.5Very high94.7Very high59 Ų5941.6 Ų41.628%0.27620%0.197SC..EExtended strand (participates in β ladder)trans-77.7139.7166.7-177.862.244.400110I116 V117 L118 Y146 W162I116-Q144 PolarHBondContact O-N 2.75Å; V117-Q144 CarbonylContact C-O 3.55Å; V117-Q144 WeakPolarHBondContact CA-O 3.38Å; V117-Q144 HydrophobicContact CG2-CB 4.26Å; L118-Q144 PolarHBondContact N-O 3.26Å; Q144-Y146 HydrophobicContact CG-CD2 4.05Å; Q144-Y146 HydrophobicContact CG-CE1 4.43Å; Q144-Y146 HydrophobicContact CG-CE2 3.39Å; Q144-W162 HydrophobicContact CB-CD2 3.66Å; Q144-W162 VanDerWaalsContact CB-CE2 3.41Å; Q144-W162 HydrophobicContact CB-CE3 4.05Å; Q144-W162 HydrophobicContact CB-CG 4.15Å; Q144-W162 HydrophobicContact CB-CH2 3.98Å; Q144-W162 HydrophobicContact CB-CZ2 3.59Å; Q144-W162 HydrophobicContact CB-CZ3 4.19Å; Q144-W162 HydrophobicContact CG-CD2 3.92Å; Q144-W162 HydrophobicContact CG-CG 3.84Å; Q144-W162 HydrophobicContact CG-CZ2 4.49Å; Q144-W162 VanDerWaalsContact OE1-NE1 3.14Å
145Y98.1Very high94.7Very high15 Ų1539.4 Ų39.46%0.05918%0.183CC..EExtended strand (participates in β ladder)trans-112.6140.9173.3178.7-108.9000111.7F89 L118 I135 D147 I200F89-Y145 AromaticContact CE1-CE2 3.72Å; F89-Y145 HydrophobicContact CE1-CE2 3.72Å; F89-Y145 AromaticContact CZ-CE2 3.85Å; F89-Y145 HydrophobicContact CZ-CE2 3.85Å; L118-Y145 HydrophobicContact CB-CD2 4.13Å; L118-Y145 HydrophobicContact CD2-CD2 3.93Å; L118-Y145 HydrophobicContact CD2-CE2 4.46Å; L118-Y145 HydrophobicContact CG-CD2 3.89Å; L118-Y145 HydrophobicContact CG-CE2 4.35Å; L118-Y145 WeakPolarHBondContact O-CA 3.37Å; L118-Y145 VanDerWaalsContact O-CD2 3.3Å; L118-Y145 WeakPolarHBondContact O-CD2 3.45Å; I135-Y145 HydrophobicContact CD1-CE1 4.28Å; I135-Y145 HydrophobicContact CD1-CE2 4.38Å; I135-Y145 VanDerWaalsContact CD1-OH 3.31Å; I135-Y145 WeakPolarHBondContact CD1-OH 3.43Å; I135-Y145 HydrophobicContact CG2-CD1 4.49Å; I135-Y145 HydrophobicContact CG2-CD2 3.95Å; I135-Y145 HydrophobicContact CG2-CE1 4.37Å; I135-Y145 HydrophobicContact CG2-CE2 3.8Å; I135-Y145 HydrophobicContact CG2-CG 4.3Å; Y145-D147 WeakPolarHBondContact CE1-OD1 3.46Å; Y145-D147 VanDerWaalsContact CZ-OD1 3.27Å; Y145-D147 PolarHBondContact OH-OD1 3Å; Y145-I200 HydrophobicContact CE1-CD1 4.14Å; Y145-I200 HydrophobicContact CE1-CG1 4.42Å
146Y98.1Very high94.5Very high47 Ų4739.2 Ų39.218%0.18418%0.182CC..EExtended strand (participates in β ladder)trans-138.1134.6165.2-65.1-64.3000111.4V117 L118 C119 G120 Q144 K158 P159 W162V117-Y146 HydrophobicContact CG1-CD2 3.74Å; V117-Y146 HydrophobicContact CG1-CE2 4.26Å; L118-Y146 PolarHBondContact O-N 2.96Å; C119-Y146 WeakPolarHBondContact CA-O 3.18Å; G120-Y146 PolarHBondContact N-O 2.92Å; Q144-Y146 HydrophobicContact CG-CD2 4.05Å; Q144-Y146 HydrophobicContact CG-CE1 4.43Å; Q144-Y146 HydrophobicContact CG-CE2 3.39Å; Y146-K158 HydrophobicContact CD1-CB 3.96Å; Y146-K158 HydrophobicContact CD1-CD 3.88Å; Y146-K158 HydrophobicContact CD2-CB 4Å; Y146-K158 HydrophobicContact CE1-CB 3.89Å; Y146-K158 HydrophobicContact CE1-CD 3.84Å; Y146-K158 HydrophobicContact CE1-CG 4.44Å; Y146-K158 HydrophobicContact CE2-CB 3.91Å; Y146-K158 WeakPolarHBondContact CE2-O 3.43Å; Y146-K158 HydrophobicContact CG-CB 4.03Å; Y146-P159 HydrophobicContact CD2-CG 4.07Å; Y146-W162 HydrophobicContact CE2-CB 4.05Å
147D97.7Very high94.3Very high1 Ų141 Ų411%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-68.9130.5154.7-91.48.7000108.6V123 R128 Y145 Y154 N155 I200V123-D147 HydrophobicContact CG1-CB 3.84Å; R128-D147 IonicContact CZ-OD1 3.93Å; R128-D147 IonicContact CZ-OD2 2.59Å; R128-D147 IonicContact NH1-OD1 3.19Å; R128-D147 IonicContact NH1-OD2 3.56Å; R128-D147 PolarHBondContact NH1-OD2 3.49Å; R128-D147 IonicContact NH2-OD1 3.88Å; R128-D147 PolarHBondContact NH2-OD1 3.02Å; R128-D147 IonicContact NH2-OD2 2.8Å; R128-D147 PolarHBondContact NH2-OD2 2.98Å; Y145-D147 WeakPolarHBondContact CE1-OD1 3.46Å; Y145-D147 VanDerWaalsContact CZ-OD1 3.27Å; Y145-D147 PolarHBondContact OH-OD1 3Å; D147-Y154 HydrophobicContact CB-CE1 4.29Å; D147-N155 WeakPolarHBondContact O-CB 3.49Å; D147-N155 PolarHBondContact O-ND2 3.49Å; D147-I200 HydrophobicContact CB-CD1 3.98Å; D147-I200 WeakPolarHBondContact OD2-CD1 3.3Å
148I97.3Very high94.3Very high0 Ų043.2 Ų43.20%020%0.199CC..  trans-134.8156.8175.869.4168.5000110.6F25 M88 C119 G120 N121 F122 V123 Y154 N155 P159F25-I148 HydrophobicContact CD2-CD1 3.89Å; F25-I148 HydrophobicContact CE2-CD1 4.06Å; M88-I148 HydrophobicContact CE-CD1 3.77Å; C119-I148 HydrophobicContact CB-CD1 3.81Å; C119-I148 HydrophobicContact CB-CG1 4.15Å; G120-I148 PolarHBondContact O-N 3.26Å; N121-I148 CarbonylContact C-O 3.59Å; N121-I148 VanDerWaalsContact CA-O 3.29Å; N121-I148 WeakPolarHBondContact CA-O 3.38Å; N121-I148 HydrophobicContact CB-CD1 4.25Å; N121-I148 HydrophobicContact CB-CG1 3.96Å; N121-I148 PolarHBondContact OD1-O 3.03Å; F122-I148 PolarHBondContact N-O 2.8Å; V123-I148 WeakPolarHBondContact CG2-O 2.88Å; V123-I148 PolarHBondContact N-O 2.89Å; I148-Y154 WeakPolarHBondContact CA-O 3.33Å; I148-N155 HydrophobicContact CG2-CB 4.16Å; I148-P159 HydrophobicContact CG2-CG 4.12Å
149S95.6Very high94.4Very high0 Ų041.7 Ų41.70%019%0.191CC..BIsolated β-bridgetrans-132.9109.4162.6161.30000108.8D124 K151 S152 N153 Y154D124-S149 WeakPolarHBondContact CB-OG 3.48Å; D124-S149 WeakPolarHBondContact OD1-CB 3.12Å; D124-S149 PolarHBondContact OD1-OG 3.26Å; S149-K151 PolarHBondContact O-N 3.32Å; S149-S152 WeakPolarHBondContact CB-OG 3.41Å; S149-S152 PolarHBondContact O-N 3.24Å; S149-S152 PolarHBondContact OG-N 2.82Å; S149-S152 VanDerWaalsContact OG-N 3.17Å; S149-S152 PolarHBondContact OG-OG 3Å; S149-N153 WeakPolarHBondContact O-CA 3.49Å; S149-N153 PolarHBondContact O-N 2.86Å; S149-Y154 PolarHBondContact N-O 3.16Å; S149-Y154 VanDerWaalsContact N-O 3.09Å; S149-Y154 PolarHBondContact O-N 2.84Å
150A92.4Very high94.5Very high0 Ų037.9 Ų37.90%018%0.177CC..THydrogen-bonded Turntrans-54.4-42.317600000110.4T24 F25 R28 N121 S152 N153T24-A150 HydrophobicContact CG2-CB 4.1Å; F25-A150 HydrophobicContact CB-CB 4.44Å; R28-A150 WeakPolarHBondContact CD-O 3.4Å; R28-A150 PolarHBondContact NE-O 3.13Å; R28-A150 VanDerWaalsContact NE-O 3.09Å; R28-A150 PolarHBondContact NH1-O 3.18Å; N121-A150 PolarHBondContact OD1-N 3.08Å; A150-S152 PolarHBondContact O-N 2.84Å; A150-N153 PolarHBondContact O-N 2.69Å; A150-N153 PolarHBondContact O-OD1 3.4Å
151K90Very high94.7Very high79 Ų7934.9 Ų34.934%0.34317%0.166SC..THydrogen-bonded Turntrans-69.8-30.3-176.4-69.8-174.7175178.60115R28 S149 P184 E185 V186R28-K151 VanDerWaalsContact CZ-O 3.27Å; R28-K151 PolarHBondContact NH1-O 2.91Å; R28-K151 PolarHBondContact NH2-O 2.84Å; R28-K151 VanDerWaalsContact NH2-O 3.14Å; S149-K151 PolarHBondContact O-N 3.32Å; K151-P184 CarbonylContact O-C 3.53Å; K151-P184 WeakPolarHBondContact O-CA 3.49Å; K151-E185 HydrophobicContact CB-CB 4.37Å; K151-E185 PolarHBondContact O-N 3.46Å; K151-V186 HydrophobicContact CB-CG2 3.75Å
152S91Very high94.9Very high17 Ų1731.8 Ų31.812%0.11915%0.151CC..THydrogen-bonded Turntrans-100.9-3.9179.863.70000113.8S149 A150 Y154 V186 M188S149-S152 WeakPolarHBondContact CB-OG 3.41Å; S149-S152 PolarHBondContact O-N 3.24Å; S149-S152 PolarHBondContact OG-N 2.82Å; S149-S152 VanDerWaalsContact OG-N 3.17Å; S149-S152 PolarHBondContact OG-OG 3Å; A150-S152 PolarHBondContact O-N 2.84Å; S152-Y154 PolarHBondContact O-N 3.26Å; S152-Y154 VanDerWaalsContact OG-CB 3.29Å; S152-Y154 WeakPolarHBondContact OG-CB 3.36Å; S152-Y154 PolarHBondContact OG-N 3.47Å; S152-V186 VanDerWaalsContact CA-O 3.3Å; S152-V186 WeakPolarHBondContact CA-O 3.07Å; S152-V186 WeakPolarHBondContact CB-O 3.26Å; S152-M188 VanDerWaalsContact OG-CG 3.24Å; S152-M188 WeakPolarHBondContact OG-CG 3.49Å
153N91.1Very high95.1Very high30 Ų3024.7 Ų24.716%0.1611%0.113CC..THydrogen-bonded Turntrans6017-167.3-57.1-34.4000113.9R28 S149 A150 N155 F156 L181 A182R28-N153 VanDerWaalsContact NH1-CG 3.34Å; R28-N153 PolarHBondContact NH1-OD1 3.28Å; S149-N153 WeakPolarHBondContact O-CA 3.49Å; S149-N153 PolarHBondContact O-N 2.86Å; A150-N153 PolarHBondContact O-N 2.69Å; A150-N153 PolarHBondContact O-OD1 3.4Å; N153-N155 PolarHBondContact O-N 3.04Å; N153-F156 HydrophobicContact CB-CB 4.32Å; N153-F156 WeakPolarHBondContact O-CB 3.45Å; N153-F156 PolarHBondContact O-N 3.04Å; N153-L181 HydrophobicContact CB-CD1 4.15Å; N153-A182 PolarHBondContact ND2-O 3.16Å
154Y94.2Very high95.1Very high29 Ų2923.8 Ų23.811%0.11411%0.108CC..BIsolated β-bridgetrans-65.4125.5177.3-179.9-108.7000111.3V123 D147 I148 S149 S152 F156 M188 V193 E197V123-Y154 HydrophobicContact CG2-CD1 3.67Å; V123-Y154 HydrophobicContact CG2-CE1 4.16Å; D147-Y154 HydrophobicContact CB-CE1 4.29Å; I148-Y154 WeakPolarHBondContact CA-O 3.33Å; S149-Y154 PolarHBondContact N-O 3.16Å; S149-Y154 VanDerWaalsContact N-O 3.09Å; S149-Y154 PolarHBondContact O-N 2.84Å; S152-Y154 PolarHBondContact O-N 3.26Å; S152-Y154 VanDerWaalsContact OG-CB 3.29Å; S152-Y154 WeakPolarHBondContact OG-CB 3.36Å; S152-Y154 PolarHBondContact OG-N 3.47Å; Y154-F156 PolarHBondContact O-N 3.38Å; Y154-F156 VanDerWaalsContact O-N 3.13Å; Y154-M188 HydrophobicContact CD1-CE 4.12Å; Y154-M188 HydrophobicContact CG-CE 4.22Å; Y154-M188 HydrophobicContact CG-CG 4.2Å; Y154-V193 HydrophobicContact CD2-CG1 4.49Å; Y154-V193 HydrophobicContact CD2-CG2 4.23Å; Y154-V193 HydrophobicContact CE2-CB 4.38Å; Y154-V193 HydrophobicContact CE2-CG1 3.52Å; Y154-V193 HydrophobicContact CE2-CG2 3.96Å; Y154-E197 PolarHBondContact OH-OE1 2.84Å
155N94.2Very high95.2Very high18 Ų1824.9 Ų24.910%0.09611%0.11CC..THydrogen-bonded Turntrans53.424.2-177.6-68.7-23.2000114.6D147 I148 N153 E157 K158 P159D147-N155 WeakPolarHBondContact O-CB 3.49Å; D147-N155 PolarHBondContact O-ND2 3.49Å; I148-N155 HydrophobicContact CG2-CB 4.16Å; N153-N155 PolarHBondContact O-N 3.04Å; N155-E157 VanDerWaalsContact C-N 3.3Å; N155-E157 PolarHBondContact O-N 3.28Å; N155-K158 HydrophobicContact CB-CB 4.49Å; N155-K158 HydrophobicContact CB-CD 3.89Å; N155-K158 HydrophobicContact CB-CG 4.22Å; N155-K158 PolarHBondContact O-N 2.84Å; N155-K158 WeakPolarHBondContact OD1-CD 3.5Å; N155-K158 WeakPolarHBondContact OD1-CE 3.38Å; N155-K158 PolarHBondContact OD1-NZ 3.13Å; N155-P159 VanDerWaalsContact O-CD 3.24Å; N155-P159 WeakPolarHBondContact O-CD 3.29Å
156F90.8Very high95.1Very high1 Ų130 Ų300%0.00413%0.132CC..THydrogen-bonded Turntrans-62.8-35.5-168.1-170.1-103.3000113.4F25 R28 H29 N153 Y154 L181F25-F156 AromaticContact CD2-CD2 3.68Å; F25-F156 HydrophobicContact CD2-CD2 3.68Å; F25-F156 AromaticContact CD2-CE2 3.41Å; F25-F156 HydrophobicContact CD2-CE2 3.41Å; F25-F156 VanDerWaalsContact CD2-CE2 3.41Å; F25-F156 HydrophobicContact CD2-CZ 4.22Å; F25-F156 AromaticContact CE2-CD2 3.69Å; F25-F156 HydrophobicContact CE2-CD2 3.69Å; F25-F156 AromaticContact CE2-CE2 3.76Å; F25-F156 HydrophobicContact CE2-CE2 3.76Å; F25-F156 HydrophobicContact CE2-CG 4.25Å; F25-F156 HydrophobicContact CE2-CZ 4.38Å; F25-F156 HydrophobicContact CG-CE2 4.16Å; F25-F156 WeakPolarHBondContact O-CZ 3.32Å; R28-F156 HydrophobicContact CB-CE1 4.49Å; R28-F156 HydrophobicContact CB-CE2 3.99Å; R28-F156 HydrophobicContact CB-CZ 3.55Å; H29-F156 AromaticContact CD2-CE1 3.58Å; H29-F156 AromaticContact CE1-CD1 3.52Å; H29-F156 AromaticContact CE1-CE1 2.88Å; H29-F156 WeakPolarHBondContact CE1-CE1 3.35Å; H29-F156 AromaticContact CE1-CZ 3.22Å; H29-F156 WeakPolarHBondContact CE1-CZ 3.48Å; H29-F156 AromaticContact CG-CE1 3.47Å; H29-F156 VanDerWaalsContact CG-CE1 3.47Å; H29-F156 AromaticContact CG-CZ 3.8Å; H29-F156 AromaticContact ND1-CE1 3.06Å; H29-F156 WeakPolarHBondContact ND1-CE1 3.34Å; H29-F156 AromaticContact ND1-CZ 3.06Å; H29-F156 WeakPolarHBondContact ND1-CZ 3.18Å; H29-F156 AromaticContact NE2-CD1 3.65Å; H29-F156 AromaticContact NE2-CE1 3.23Å; H29-F156 WeakPolarHBondContact NE2-CE1 3.36Å; N153-F156 HydrophobicContact CB-CB 4.32Å; N153-F156 WeakPolarHBondContact O-CB 3.45Å; N153-F156 PolarHBondContact O-N 3.04Å; Y154-F156 PolarHBondContact O-N 3.38Å; Y154-F156 VanDerWaalsContact O-N 3.13Å; F156-L181 HydrophobicContact CD1-CD1 3.69Å; F156-L181 HydrophobicContact CD1-CD2 3.7Å; F156-L181 HydrophobicContact CD1-CG 4.37Å; F156-L181 HydrophobicContact CE1-CD1 4.1Å; F156-L181 HydrophobicContact CE1-CD2 3.26Å; F156-L181 HydrophobicContact CE1-CG 4.31Å; F156-L181 HydrophobicContact CG-CD1 4.41Å; F156-L181 HydrophobicContact CZ-CD2 4.22Å
157E91.7Very high95.1Very high59 Ų5929.9 Ų29.928%0.27614%0.135SC..THydrogen-bonded Turntrans-83.5-21.6-18074.1-68.3160.900114N155 S160 L161 F175N155-E157 VanDerWaalsContact C-N 3.3Å; N155-E157 PolarHBondContact O-N 3.28Å; E157-S160 PolarHBondContact O-N 2.87Å; E157-L161 WeakPolarHBondContact O-CB 3.5Å; E157-L161 PolarHBondContact O-N 3.32Å; E157-F175 HydrophobicContact CB-CD2 4.06Å; E157-F175 HydrophobicContact CB-CE2 4.1Å
158K95.4Very high95Very high69 Ų6933.2 Ų33.230%0.315%0.152SC..Hα-helixtrans-59.2-43.8-172.7-67.8-170.3177.8166.40113.7Y146 N155 L161 W162Y146-K158 HydrophobicContact CD1-CB 3.96Å; Y146-K158 HydrophobicContact CD1-CD 3.88Å; Y146-K158 HydrophobicContact CD2-CB 4Å; Y146-K158 HydrophobicContact CE1-CB 3.89Å; Y146-K158 HydrophobicContact CE1-CD 3.84Å; Y146-K158 HydrophobicContact CE1-CG 4.44Å; Y146-K158 HydrophobicContact CE2-CB 3.91Å; Y146-K158 WeakPolarHBondContact CE2-O 3.43Å; Y146-K158 HydrophobicContact CG-CB 4.03Å; N155-K158 HydrophobicContact CB-CB 4.49Å; N155-K158 HydrophobicContact CB-CD 3.89Å; N155-K158 HydrophobicContact CB-CG 4.22Å; N155-K158 PolarHBondContact O-N 2.84Å; N155-K158 WeakPolarHBondContact OD1-CD 3.5Å; N155-K158 WeakPolarHBondContact OD1-CE 3.38Å; N155-K158 PolarHBondContact OD1-NZ 3.13Å; K158-L161 PolarHBondContact O-N 2.57Å; K158-W162 WeakPolarHBondContact O-CB 3.22Å; K158-W162 PolarHBondContact O-N 2.83Å
159P97.4Very high95Very high0 Ų036.2 Ų36.20%018%0.183CC..Hα-helixtrans-57.7-52.2175.5-2635.5000112I86 V117 C119 Y146 I148 N155 L161 W162 L163I86-P159 HydrophobicContact CD1-CB 3.84Å; I86-P159 HydrophobicContact CG1-CB 4.49Å; V117-P159 HydrophobicContact CB-CB 4.44Å; V117-P159 HydrophobicContact CG1-CB 3.97Å; V117-P159 HydrophobicContact CG1-CG 4.4Å; C119-P159 VanDerWaalsContact SG-CG 3.51Å; Y146-P159 HydrophobicContact CD2-CG 4.07Å; I148-P159 HydrophobicContact CG2-CG 4.12Å; N155-P159 VanDerWaalsContact O-CD 3.24Å; N155-P159 WeakPolarHBondContact O-CD 3.29Å; P159-L161 PolarHBondContact O-N 3.4Å; P159-W162 PolarHBondContact O-N 2.85Å; P159-L163 WeakPolarHBondContact O-CG 3.38Å; P159-L163 PolarHBondContact O-N 3.01Å
160S95.8Very high95.1Very high3 Ų337.6 Ų37.62%0.02119%0.191CC..Hα-helixtrans-60.7-47.4-179.5-57.90000111E157 W162 L163 V164E157-S160 PolarHBondContact O-N 2.87Å; S160-W162 PolarHBondContact O-N 3.17Å; S160-L163 PolarHBondContact O-N 3.3Å; S160-V164 WeakPolarHBondContact O-CG2 3.38Å; S160-V164 PolarHBondContact O-N 3.27Å
161L96.6Very high95.3Very high29 Ų2942 Ų4215%0.15222%0.219CC..Hα-helixtrans-60.2-44.5-179.7-17859.3000112.2E157 K158 P159 V164 R165 L173 F175E157-L161 WeakPolarHBondContact O-CB 3.5Å; E157-L161 PolarHBondContact O-N 3.32Å; K158-L161 PolarHBondContact O-N 2.57Å; P159-L161 PolarHBondContact O-N 3.4Å; L161-V164 PolarHBondContact O-N 3.27Å; L161-R165 HydrophobicContact CD1-CG 4.48Å; L161-R165 VanDerWaalsContact O-CG 3.31Å; L161-R165 WeakPolarHBondContact O-CG 3.17Å; L161-R165 PolarHBondContact O-N 3.48Å; L161-L173 HydrophobicContact CD1-CD2 3.68Å; L161-F175 HydrophobicContact CB-CD2 4.25Å; L161-F175 HydrophobicContact CB-CE2 3.72Å; L161-F175 HydrophobicContact CB-CZ 3.95Å; L161-F175 HydrophobicContact CD1-CD1 4.1Å; L161-F175 HydrophobicContact CD1-CD2 4.37Å; L161-F175 HydrophobicContact CD1-CE1 4.07Å; L161-F175 HydrophobicContact CD1-CE2 4.35Å; L161-F175 HydrophobicContact CD1-CG 4.25Å; L161-F175 HydrophobicContact CD1-CZ 4.2Å
162W98.2Very high95.6Very high44 Ų4443.6 Ų43.617%0.16723%0.231CC..Hα-helixtrans-63.2-43.6178.2-175.297.5000112P115 V117 Q144 Y146 K158 P159 S160 V164 R165 K166P115-W162 HydrophobicContact CB-CH2 4.38Å; P115-W162 HydrophobicContact CB-CZ3 3.84Å; V117-W162 HydrophobicContact CG2-CD2 4.17Å; V117-W162 HydrophobicContact CG2-CE3 3.4Å; V117-W162 HydrophobicContact CG2-CZ3 3.86Å; Q144-W162 HydrophobicContact CB-CD2 3.66Å; Q144-W162 VanDerWaalsContact CB-CE2 3.41Å; Q144-W162 HydrophobicContact CB-CE3 4.05Å; Q144-W162 HydrophobicContact CB-CG 4.15Å; Q144-W162 HydrophobicContact CB-CH2 3.98Å; Q144-W162 HydrophobicContact CB-CZ2 3.59Å; Q144-W162 HydrophobicContact CB-CZ3 4.19Å; Q144-W162 HydrophobicContact CG-CD2 3.92Å; Q144-W162 HydrophobicContact CG-CG 3.84Å; Q144-W162 HydrophobicContact CG-CZ2 4.49Å; Q144-W162 VanDerWaalsContact OE1-NE1 3.14Å; Y146-W162 HydrophobicContact CE2-CB 4.05Å; K158-W162 WeakPolarHBondContact O-CB 3.22Å; K158-W162 PolarHBondContact O-N 2.83Å; P159-W162 PolarHBondContact O-N 2.85Å; S160-W162 PolarHBondContact O-N 3.17Å; W162-V164 VanDerWaalsContact C-N 3.33Å; W162-V164 PolarHBondContact O-N 3.47Å; W162-R165 PolarHBondContact O-N 2.99Å; W162-K166 HydrophobicContact CD2-CG 4Å; W162-K166 HydrophobicContact CE3-CG 3.97Å; W162-K166 HydrophobicContact CH2-CD 4.42Å; W162-K166 HydrophobicContact CH2-CG 3.79Å; W162-K166 HydrophobicContact CZ2-CD 4.17Å; W162-K166 HydrophobicContact CZ2-CG 3.79Å; W162-K166 HydrophobicContact CZ3-CG 3.88Å; W162-K166 WeakPolarHBondContact O-CG 3.09Å; W162-K166 PolarHBondContact O-N 3.49Å
163L98.2Very high95.9Very high0 Ų042.8 Ų42.80%023%0.226CC..Hα-helixtrans-59.9-44.5177.7-72.7175.5000111.4L12 F60 C84 I86 P115 V117 P159 S160 K166 L167L12-L163 HydrophobicContact CD1-CD1 3.63Å; L12-L163 HydrophobicContact CG-CD1 4.34Å; F60-L163 HydrophobicContact CZ-CB 3.98Å; C84-L163 HydrophobicContact CB-CD1 4.34Å; C84-L163 HydrophobicContact CB-CD2 3.86Å; I86-L163 HydrophobicContact CD1-CD1 4.24Å; I86-L163 HydrophobicContact CG1-CD1 3.88Å; P115-L163 HydrophobicContact CB-CD2 3.84Å; P115-L163 WeakPolarHBondContact O-CD2 3.44Å; V117-L163 HydrophobicContact CG2-CD1 4.32Å; V117-L163 HydrophobicContact CG2-CD2 3.73Å; V117-L163 HydrophobicContact CG2-CG 3.71Å; P159-L163 WeakPolarHBondContact O-CG 3.38Å; P159-L163 PolarHBondContact O-N 3.01Å; S160-L163 PolarHBondContact O-N 3.3Å; L163-K166 PolarHBondContact O-N 2.73Å; L163-L167 WeakPolarHBondContact O-CB 3.06Å; L163-L167 VanDerWaalsContact O-CG 3.25Å; L163-L167 WeakPolarHBondContact O-CG 3.49Å; L163-L167 PolarHBondContact O-N 3.49Å
164V96.7Very high96.1Very high0 Ų046.8 Ų46.80%024%0.243CC..Hα-helixtrans-65-44.7-179.5176.10000111.4I58 F60 S160 L161 W162 K166 L167 L168 L173I58-V164 HydrophobicContact CD1-CB 3.86Å; I58-V164 HydrophobicContact CD1-CG1 3.32Å; I58-V164 HydrophobicContact CD1-CG2 3.15Å; F60-V164 HydrophobicContact CE2-CG2 3.42Å; F60-V164 VanDerWaalsContact CE2-CG2 3.42Å; F60-V164 HydrophobicContact CZ-CG2 3.39Å; S160-V164 WeakPolarHBondContact O-CG2 3.38Å; S160-V164 PolarHBondContact O-N 3.27Å; L161-V164 PolarHBondContact O-N 3.27Å; W162-V164 VanDerWaalsContact C-N 3.33Å; W162-V164 PolarHBondContact O-N 3.47Å; V164-K166 PolarHBondContact O-N 3.5Å; V164-L167 PolarHBondContact O-N 3.46Å; V164-L168 HydrophobicContact CG1-CD1 3.89Å; V164-L168 HydrophobicContact CG1-CG 4.34Å; V164-L168 WeakPolarHBondContact O-CB 3.38Å; V164-L168 PolarHBondContact O-N 3.1Å; V164-L173 HydrophobicContact CB-CD2 4.26Å; V164-L173 HydrophobicContact CG1-CD1 3.53Å; V164-L173 HydrophobicContact CG1-CD2 3.58Å; V164-L173 HydrophobicContact CG1-CG 4.21Å
165R98Very high96Very high81 Ų8147.2 Ų47.231%0.30625%0.246SC..Hα-helixtrans-56.4-41.2174.9-72.9173.9171.4174.9-5.3111.3L161 W162 G169 D170 P171 L173L161-R165 HydrophobicContact CD1-CG 4.48Å; L161-R165 VanDerWaalsContact O-CG 3.31Å; L161-R165 WeakPolarHBondContact O-CG 3.17Å; L161-R165 PolarHBondContact O-N 3.48Å; W162-R165 PolarHBondContact O-N 2.99Å; R165-G169 WeakPolarHBondContact O-CA 3.24Å; R165-G169 PolarHBondContact O-N 2.85Å; R165-D170 WeakPolarHBondContact CG-O 3.3Å; R165-D170 PolarHBondContact O-N 3.14Å; R165-P171 PolarHBondContact NE-O 3.43Å; R165-L173 HydrophobicContact CG-CB 4.09Å; R165-L173 VanDerWaalsContact CZ-O 3.24Å; R165-L173 PolarHBondContact NE-O 3.26Å; R165-L173 PolarHBondContact NH2-O 2.98Å
166K97.8Very high96Very high123 Ų12351 Ų5154%0.53527%0.269SS..Hα-helixtrans-69.7-44.8176.8-72.4-64.4-171.9179.40113P115 W162 L163 V164 G169P115-K166 HydrophobicContact CB-CB 3.91Å; P115-K166 HydrophobicContact CB-CG 4.46Å; P115-K166 HydrophobicContact CG-CB 3.84Å; W162-K166 HydrophobicContact CD2-CG 4Å; W162-K166 HydrophobicContact CE3-CG 3.97Å; W162-K166 HydrophobicContact CH2-CD 4.42Å; W162-K166 HydrophobicContact CH2-CG 3.79Å; W162-K166 HydrophobicContact CZ2-CD 4.17Å; W162-K166 HydrophobicContact CZ2-CG 3.79Å; W162-K166 HydrophobicContact CZ3-CG 3.88Å; W162-K166 WeakPolarHBondContact O-CG 3.09Å; W162-K166 PolarHBondContact O-N 3.49Å; L163-K166 PolarHBondContact O-N 2.73Å; V164-K166 PolarHBondContact O-N 3.5Å; K166-G169 PolarHBondContact O-N 2.92Å
167L97Very high95.7Very high44 Ų4453.2 Ų53.223%0.2329%0.288CS..Hα-helixtrans-65.5-38-179.2-74.1166.6000112.7F10 F60 Q83 C84 P115 L163 V164F10-L167 HydrophobicContact CB-CD1 4.12Å; F10-L167 HydrophobicContact CD1-CB 4.47Å; F10-L167 HydrophobicContact CD1-CD1 3.94Å; F10-L167 HydrophobicContact CD1-CD2 4.09Å; F10-L167 HydrophobicContact CD1-CG 4.41Å; F10-L167 HydrophobicContact CD2-CD1 4.29Å; F10-L167 HydrophobicContact CE1-CB 4.2Å; F10-L167 HydrophobicContact CE1-CD1 4.47Å; F10-L167 HydrophobicContact CE1-CD2 4.37Å; F10-L167 HydrophobicContact CG-CD1 3.85Å; F10-L167 HydrophobicContact CZ-CB 4.39Å; F60-L167 HydrophobicContact CE1-CD1 3.63Å; F60-L167 HydrophobicContact CZ-CD1 4Å; Q83-L167 HydrophobicContact CB-CD2 4.36Å; Q83-L167 WeakPolarHBondContact O-CD2 3.16Å; C84-L167 HydrophobicContact CB-CD1 4.08Å; C84-L167 HydrophobicContact CB-CD2 4.43Å; P115-L167 HydrophobicContact CG-CD2 4.31Å; P115-L167 HydrophobicContact CG-CG 4.48Å; L163-L167 WeakPolarHBondContact O-CB 3.06Å; L163-L167 VanDerWaalsContact O-CG 3.25Å; L163-L167 WeakPolarHBondContact O-CG 3.49Å; L163-L167 PolarHBondContact O-N 3.49Å; V164-L167 PolarHBondContact O-N 3.46Å
168L96.1Very high94.8Very high72 Ų7257.5 Ų57.538%0.37731%0.31SS..Hα-helixtrans-94.1-7.8-178.8-60.9-175000113.7F10 I58 V164 D170 L173F10-L168 HydrophobicContact CE2-CD2 4.13Å; F10-L168 HydrophobicContact CZ-CD2 3.68Å; I58-L168 HydrophobicContact CG2-CD1 4.26Å; V164-L168 HydrophobicContact CG1-CD1 3.89Å; V164-L168 HydrophobicContact CG1-CG 4.34Å; V164-L168 WeakPolarHBondContact O-CB 3.38Å; V164-L168 PolarHBondContact O-N 3.1Å; L168-D170 PolarHBondContact O-N 2.81Å; L168-L173 HydrophobicContact CD1-CD1 3.6Å
169G97.1Very high93.6Very high63 Ų6355.5 Ų55.565%0.64930%0.304SS*.THydrogen-bonded Turntrans65.217.8-176.900000114.5R165 K166 P171R165-G169 WeakPolarHBondContact O-CA 3.24Å; R165-G169 PolarHBondContact O-N 2.85Å; K166-G169 PolarHBondContact O-N 2.92Å; G169-P171 WeakPolarHBondContact O-CD 3.18Å
170D97.3Very high92.4Very high29 Ų2959.9 Ų59.916%0.15534%0.34CS..  trans-110.4100.3179.6-173.6-5000110.6R55 R165 L168 N172 L173R55-D170 IonicContact CZ-OD2 3.41Å; R55-D170 VanDerWaalsContact CZ-OD2 3.25Å; R55-D170 IonicContact NE-OD2 2.87Å; R55-D170 PolarHBondContact NE-OD2 3.09Å; R55-D170 IonicContact NH2-OD1 2.69Å; R55-D170 IonicContact NH2-OD2 3.69Å; R55-D170 PolarHBondContact NH2-OD2 3.01Å; R165-D170 WeakPolarHBondContact CG-O 3.3Å; R165-D170 PolarHBondContact O-N 3.14Å; L168-D170 PolarHBondContact O-N 2.81Å; D170-N172 PolarHBondContact O-N 3.27Å; D170-N172 WeakPolarHBondContact OD1-CA 2.87Å; D170-N172 WeakPolarHBondContact OD1-CB 3.39Å; D170-N172 PolarHBondContact OD1-N 2.97Å; D170-L173 HydrophobicContact CB-CB 4.27Å; D170-L173 WeakPolarHBondContact O-CB 3.34Å; D170-L173 PolarHBondContact O-N 3.42Å; D170-L173 PolarHBondContact OD1-N 2.73Å
171P96.4Very high91.3Very high92 Ų9261.7 Ų61.760%0.59735%0.349SS*.THydrogen-bonded Turntrans-68-18.5177.528.2-34.5000113.5R165 G169 L173R165-P171 PolarHBondContact NE-O 3.43Å; G169-P171 WeakPolarHBondContact O-CD 3.18Å; P171-L173 VanDerWaalsContact C-N 3.33Å
172N96.9Very high90.3Very high112 Ų11260.4 Ų60.460%0.59934%0.343SS*.THydrogen-bonded Turntrans-92.46.6-179.9-56.3-52.2000112.6N54 D170N54-N172 PolarHBondContact ND2-O 3.28Å; D170-N172 PolarHBondContact O-N 3.27Å; D170-N172 WeakPolarHBondContact OD1-CA 2.87Å; D170-N172 WeakPolarHBondContact OD1-CB 3.39Å; D170-N172 PolarHBondContact OD1-N 2.97Å
173L96.5Very high89.6Confident0 Ų063.2 Ų63.20%037%0.367CS..  trans-66.3135.3173.4-175.1147.8000110T53 N54 R55 L161 V164 R165 L168 D170 P171 F175T53-L173 HydrophobicContact CG2-CD1 4.24Å; T53-L173 HydrophobicContact CG2-CD2 3.88Å; T53-L173 HydrophobicContact CG2-CG 4.27Å; N54-L173 WeakPolarHBondContact OD1-CA 2.97Å; R55-L173 HydrophobicContact CB-CD1 4.45Å; R55-L173 HydrophobicContact CG-CD1 4.22Å; L161-L173 HydrophobicContact CD1-CD2 3.68Å; V164-L173 HydrophobicContact CB-CD2 4.26Å; V164-L173 HydrophobicContact CG1-CD1 3.53Å; V164-L173 HydrophobicContact CG1-CD2 3.58Å; V164-L173 HydrophobicContact CG1-CG 4.21Å; R165-L173 HydrophobicContact CG-CB 4.09Å; R165-L173 VanDerWaalsContact CZ-O 3.24Å; R165-L173 PolarHBondContact NE-O 3.26Å; R165-L173 PolarHBondContact NH2-O 2.98Å; L168-L173 HydrophobicContact CD1-CD1 3.6Å; D170-L173 HydrophobicContact CB-CB 4.27Å; D170-L173 WeakPolarHBondContact O-CB 3.34Å; D170-L173 PolarHBondContact O-N 3.42Å; D170-L173 PolarHBondContact OD1-N 2.73Å; P171-L173 VanDerWaalsContact C-N 3.33Å; L173-F175 HydrophobicContact CD2-CE1 4.46Å
174E95.4Very high89Confident114 Ų11466.5 Ų66.553%0.53339%0.388SS..  trans-135149.5179-66.9-177.617000110.2T53 N54T53-E174 CarbonylContact C-O 3.5Å; T53-E174 WeakPolarHBondContact CA-O 3.32Å; T53-E174 WeakPolarHBondContact CB-O 3.37Å; N54-E174 PolarHBondContact N-O 3.28Å; N54-E174 PolarHBondContact OD1-N 3.12Å; N54-E174 PolarHBondContact OD1-O 2.86Å
175F93.7Very high88.4Confident39 Ų3970.5 Ų70.517%0.17141%0.407CS..EExtended strand (participates in β ladder)trans-77.9123.6167.5-64.3-27.1000109.5F51 H52 T53 I58 E157 L161 L173F51-F175 HydrophobicContact CB-CD1 4.11Å; F51-F175 HydrophobicContact CB-CE1 3.67Å; F51-F175 HydrophobicContact CB-CZ 4.09Å; F51-F175 HydrophobicContact CD1-CD1 4.5Å; F51-F175 HydrophobicContact CD1-CD2 4.25Å; F51-F175 AromaticContact CD1-CE1 3.96Å; F51-F175 HydrophobicContact CD1-CE1 3.96Å; F51-F175 AromaticContact CD1-CE2 3.66Å; F51-F175 HydrophobicContact CD1-CE2 3.66Å; F51-F175 AromaticContact CD1-CZ 3.49Å; F51-F175 HydrophobicContact CD1-CZ 3.49Å; F51-F175 VanDerWaalsContact CD1-CZ 3.49Å; F51-F175 HydrophobicContact CE1-CE2 4.09Å; F51-F175 HydrophobicContact CE1-CZ 4.13Å; F51-F175 HydrophobicContact CG-CE1 4.01Å; F51-F175 HydrophobicContact CG-CE2 4.49Å; F51-F175 AromaticContact CG-CZ 3.88Å; F51-F175 HydrophobicContact CG-CZ 3.88Å; H52-F175 CarbonylContact O-C 3.59Å; H52-F175 VanDerWaalsContact O-CA 3.3Å; H52-F175 WeakPolarHBondContact O-CA 3.49Å; T53-F175 HydrophobicContact CG2-CD1 3.99Å; T53-F175 HydrophobicContact CG2-CE1 4.13Å; I58-F175 HydrophobicContact CD1-CE1 4.29Å; E157-F175 HydrophobicContact CB-CD2 4.06Å; E157-F175 HydrophobicContact CB-CE2 4.1Å; L161-F175 HydrophobicContact CB-CD2 4.25Å; L161-F175 HydrophobicContact CB-CE2 3.72Å; L161-F175 HydrophobicContact CB-CZ 3.95Å; L161-F175 HydrophobicContact CD1-CD1 4.1Å; L161-F175 HydrophobicContact CD1-CD2 4.37Å; L161-F175 HydrophobicContact CD1-CE1 4.07Å; L161-F175 HydrophobicContact CD1-CE2 4.35Å; L161-F175 HydrophobicContact CD1-CG 4.25Å; L161-F175 HydrophobicContact CD1-CZ 4.2Å; L173-F175 HydrophobicContact CD2-CE1 4.46Å
176V92.9Very high88Confident96 Ų9669.2 Ų69.258%0.58241%0.408SS*.EExtended strand (participates in β ladder)trans-92.1-13.1-178.3-65.20000112.8H52 N54H52-V176 HydrophobicContact CB-CG2 3.94Å; H52-V176 WeakPolarHBondContact O-CG2 3.39Å; H52-V176 PolarHBondContact O-N 3.44Å; N54-V176 HydrophobicContact CB-CG1 3.81Å
177A83.9Confident87.6Confident48 Ų4872.1 Ų72.140%0.39742%0.423SS..EExtended strand (participates in β ladder)trans-143.5136.6170.800000108.5H52H52-A177 HydrophobicContact CB-CB 4.26Å
178M72.9Confident87.3Confident150 Ų15071.3 Ų71.374%0.73942%0.419SS*.  trans-67.1142.2167.5-68.1-167.7-175.500108.8
179P70.9Confident87Confident26 Ų2671.1 Ų71.117%0.16942%0.418CS..  trans-53.9153.2165.6-16.127.8000109.4F51 L181F51-P179 HydrophobicContact CD1-CG 4.08Å; F51-P179 HydrophobicContact CE1-CG 3.96Å; P179-L181 HydrophobicContact CB-CD2 3.99Å; P179-L181 HydrophobicContact CG-CD2 4.39Å; P179-L181 WeakPolarHBondContact O-CG 3.3Å; P179-L181 PolarHBondContact O-N 2.79Å
180A71.8Confident86.8Confident92 Ų9273 Ų7376%0.7642%0.419SS*.  trans-67.286.4172.100000109.2
181L73.6Confident86.5Confident42 Ų4276.4 Ų76.422%0.2244%0.441CS..PPolyproline II helixtrans-78.3149.2-179.1-60.1-174.2000110.9N153 F156 P179N153-L181 HydrophobicContact CB-CD1 4.15Å; F156-L181 HydrophobicContact CD1-CD1 3.69Å; F156-L181 HydrophobicContact CD1-CD2 3.7Å; F156-L181 HydrophobicContact CD1-CG 4.37Å; F156-L181 HydrophobicContact CE1-CD1 4.1Å; F156-L181 HydrophobicContact CE1-CD2 3.26Å; F156-L181 HydrophobicContact CE1-CG 4.31Å; F156-L181 HydrophobicContact CG-CD1 4.41Å; F156-L181 HydrophobicContact CZ-CD2 4.22Å; P179-L181 HydrophobicContact CB-CD2 3.99Å; P179-L181 HydrophobicContact CG-CD2 4.39Å; P179-L181 WeakPolarHBondContact O-CG 3.3Å; P179-L181 PolarHBondContact O-N 2.79Å
182A75.8Confident86.3Confident1 Ų172.9 Ų72.91%0.00842%0.417CS..PPolyproline II helixtrans-52.7140162.300000109.8R28 G32 N153R28-A182 HydrophobicContact CG-CB 4.09Å; G32-A182 WeakPolarHBondContact O-CA 3.46Å; G32-A182 WeakPolarHBondContact O-CB 3.32Å; N153-A182 PolarHBondContact ND2-O 3.16Å
183P83.3Confident86Confident104 Ų10468.7 Ų68.768%0.67540%0.395SS*.PPolyproline II helixtrans-51.4144.4165.8-25.534.6000110.9R28 E185R28-P183 PolarHBondContact NH2-O 3.18Å; P183-E185 PolarHBondContact O-N 3.49Å
184P85.3Confident85.9Confident69 Ų6970.7 Ų70.745%0.44841%0.411SS..PPolyproline II helixtrans-59.8128.7177.325.3-33.2000110.1K151 V186K151-P184 CarbonylContact O-C 3.53Å; K151-P184 WeakPolarHBondContact O-CA 3.49Å; P184-V186 VanDerWaalsContact C-N 3.26Å
185E84.3Confident85.8Confident83 Ų8370 Ų7039%0.38841%0.408SS..SBendtrans-72.4-26.4174.1-81.9160.1-114.700111.4R28 P34 K151 P183R28-E185 IonicContact CZ-OE1 3.72Å; R28-E185 IonicContact NE-OE1 3.41Å; R28-E185 PolarHBondContact NE-OE1 3.41Å; R28-E185 IonicContact NH2-OE1 2.82Å; R28-E185 PolarHBondContact NH2-OE1 2.87Å; P34-E185 HydrophobicContact CB-CG 4.35Å; P34-E185 WeakPolarHBondContact CB-OE1 3.07Å; P34-E185 HydrophobicContact CG-CG 4.42Å; K151-E185 HydrophobicContact CB-CB 4.37Å; K151-E185 PolarHBondContact O-N 3.46Å; P183-E185 PolarHBondContact O-N 3.49Å
186V88.4Confident85.8Confident54 Ų5468.6 Ų68.633%0.32740%0.402SS..SBendtrans-139.8146.5179.8-58.90000109.1D124 K151 S152 P184D124-V186 HydrophobicContact CB-CG2 3.74Å; K151-V186 HydrophobicContact CB-CG2 3.75Å; S152-V186 VanDerWaalsContact CA-O 3.3Å; S152-V186 WeakPolarHBondContact CA-O 3.07Å; S152-V186 WeakPolarHBondContact CB-O 3.26Å; P184-V186 VanDerWaalsContact C-N 3.26Å
187Q90Very high85.7Confident184 Ų18468.5 Ų68.586%0.8640%0.395SS*.PPolyproline II helixtrans-93.5132.8171.8-67.4-176.9-9.700109.4
188M90.1Very high86.2Confident28 Ų2872.9 Ų72.914%0.13841%0.407CS..PPolyproline II helixtrans-69.8133.7168.9-71.8-70.7-70.900109.4V123 D124 S152 Y154 P190 M192 V193V123-M188 HydrophobicContact CB-CE 4.36Å; V123-M188 HydrophobicContact CG2-CE 3.62Å; V123-M188 HydrophobicContact CG2-SD 4.17Å; D124-M188 WeakPolarHBondContact CA-SD 3.4Å; D124-M188 HydrophobicContact CB-SD 3.62Å; S152-M188 VanDerWaalsContact OG-CG 3.24Å; S152-M188 WeakPolarHBondContact OG-CG 3.49Å; Y154-M188 HydrophobicContact CD1-CE 4.12Å; Y154-M188 HydrophobicContact CG-CE 4.22Å; Y154-M188 HydrophobicContact CG-CG 4.2Å; M188-P190 WeakPolarHBondContact O-CD 3.37Å; M188-M192 HydrophobicContact CE-CE 3.5Å; M188-M192 VanDerWaalsContact CE-CE 3.5Å; M188-M192 HydrophobicContact SD-CE 3.81Å; M188-V193 HydrophobicContact CB-CG2 3.69Å; M188-V193 HydrophobicContact CE-CG2 3.71Å; M188-V193 HydrophobicContact CG-CG2 4.34Å
189D90.9Very high87.2Confident68 Ų6868.4 Ų68.436%0.36439%0.385SS..PPolyproline II helixtrans-66.1119.4169.4-177-24.1000109.3T191 M192 V193D189-T191 PolarHBondContact O-N 3.23Å; D189-T191 WeakPolarHBondContact OD1-CB 3.37Å; D189-T191 PolarHBondContact OD1-N 3.15Å; D189-T191 PolarHBondContact OD1-OG1 3.12Å; D189-T191 PolarHBondContact OD2-OG1 3.42Å; D189-M192 HydrophobicContact CB-CB 3.89Å; D189-M192 WeakPolarHBondContact O-CB 3.34Å; D189-M192 PolarHBondContact O-N 3.08Å; D189-V193 PolarHBondContact O-N 2.73Å
190P91.5Very high88.2Confident103 Ų10369.6 Ų69.667%0.66939%0.389SS*.Hα-helixtrans-57.2-31.2-179.2-25.935.3000113.7M188 V193 A194M188-P190 WeakPolarHBondContact O-CD 3.37Å; P190-V193 PolarHBondContact O-N 2.96Å; P190-A194 PolarHBondContact O-N 2.95Å
191T92.5Very high89.2Confident99 Ų9967.7 Ų67.761%0.60737%0.373SS*.Hα-helixtrans-69.1-39177.265.30000111.3D189 A194 Q195D189-T191 PolarHBondContact O-N 3.23Å; D189-T191 WeakPolarHBondContact OD1-CB 3.37Å; D189-T191 PolarHBondContact OD1-N 3.15Å; D189-T191 PolarHBondContact OD1-OG1 3.12Å; D189-T191 PolarHBondContact OD2-OG1 3.42Å; T191-A194 PolarHBondContact O-N 2.69Å; T191-Q195 WeakPolarHBondContact O-CB 3.44Å; T191-Q195 PolarHBondContact O-N 2.65Å
192M90.8Very high90.1Very high19 Ų1968.7 Ų68.79%0.09439%0.388CS..Hα-helixtrans-68.3-38.9175.8-172.2-179.169.600111.6V123 M188 D189 Q195 Y196V123-M192 WeakPolarHBondContact O-CE 3.12Å; M188-M192 HydrophobicContact CE-CE 3.5Å; M188-M192 VanDerWaalsContact CE-CE 3.5Å; M188-M192 HydrophobicContact SD-CE 3.81Å; D189-M192 HydrophobicContact CB-CB 3.89Å; D189-M192 WeakPolarHBondContact O-CB 3.34Å; D189-M192 PolarHBondContact O-N 3.08Å; M192-Q195 PolarHBondContact O-N 2.65Å; M192-Y196 HydrophobicContact CE-CE2 3.96Å; M192-Y196 HydrophobicContact CG-CD2 4.04Å; M192-Y196 HydrophobicContact CG-CE1 4.2Å; M192-Y196 HydrophobicContact CG-CE2 3.38Å; M192-Y196 VanDerWaalsContact CG-CZ 3.47Å; M192-Y196 WeakPolarHBondContact O-CD2 3.02Å; M192-Y196 PolarHBondContact O-N 3.39Å; M192-Y196 HydrophobicContact SD-CE2 3.78Å; M192-Y196 PolarHBondContact SD-OH 2.78Å; M192-Y196 VanDerWaalsContact SD-OH 3.4Å
193V92Very high90.8Very high24 Ų2469.6 Ų69.615%0.14540%0.395CS..Hα-helixtrans-59.2-52.2173.7170.90000110.7Y154 M188 D189 P190 Q195 Y196 E197Y154-V193 HydrophobicContact CD2-CG1 4.49Å; Y154-V193 HydrophobicContact CD2-CG2 4.23Å; Y154-V193 HydrophobicContact CE2-CB 4.38Å; Y154-V193 HydrophobicContact CE2-CG1 3.52Å; Y154-V193 HydrophobicContact CE2-CG2 3.96Å; M188-V193 HydrophobicContact CB-CG2 3.69Å; M188-V193 HydrophobicContact CE-CG2 3.71Å; M188-V193 HydrophobicContact CG-CG2 4.34Å; D189-V193 PolarHBondContact O-N 2.73Å; P190-V193 PolarHBondContact O-N 2.96Å; V193-Q195 VanDerWaalsContact C-N 3.28Å; V193-Q195 PolarHBondContact O-N 3.14Å; V193-Y196 PolarHBondContact O-N 2.79Å; V193-E197 WeakPolarHBondContact O-CG 3.13Å; V193-E197 PolarHBondContact O-N 3.3Å
194A93.4Very high91Very high42 Ų4267.3 Ų67.335%0.34739%0.385SS..Hα-helixtrans-59.7-40.1179.100000111.9P190 T191 Q198P190-A194 PolarHBondContact O-N 2.95Å; T191-A194 PolarHBondContact O-N 2.69Å; A194-Q198 VanDerWaalsContact O-CG 3.28Å; A194-Q198 WeakPolarHBondContact O-CG 3.25Å; A194-Q198 PolarHBondContact O-N 3.09Å
195Q94Very high91Very high100 Ų10070.9 Ų70.947%0.46740%0.4SS..Hα-helixtrans-61.7-48175.3-178.1-178.9-8.700111.9T191 M192 V193 E197 Q198 E199T191-Q195 WeakPolarHBondContact O-CB 3.44Å; T191-Q195 PolarHBondContact O-N 2.65Å; M192-Q195 PolarHBondContact O-N 2.65Å; V193-Q195 VanDerWaalsContact C-N 3.28Å; V193-Q195 PolarHBondContact O-N 3.14Å; Q195-E197 PolarHBondContact O-N 2.73Å; Q195-Q198 PolarHBondContact O-N 2.98Å; Q195-E199 HydrophobicContact CG-CG 4.42Å; Q195-E199 PolarHBondContact NE2-OE1 2.64Å; Q195-E199 WeakPolarHBondContact O-CG 3.35Å; Q195-E199 PolarHBondContact O-N 2.88Å
196Y92.6Very high91.2Very high9 Ų969.1 Ų69.14%0.03540%0.4CS..Hα-helixtrans-64.5-38.8179.9-66.4-27.6000112.7V123 R128 M192 V193 Q198 E199 I200V123-Y196 HydrophobicContact CB-CD2 4.24Å; V123-Y196 HydrophobicContact CB-CE2 3.99Å; V123-Y196 WeakPolarHBondContact O-CE2 3.4Å; R128-Y196 VanDerWaalsContact NH1-CD1 3.31Å; M192-Y196 HydrophobicContact CE-CE2 3.96Å; M192-Y196 HydrophobicContact CG-CD2 4.04Å; M192-Y196 HydrophobicContact CG-CE1 4.2Å; M192-Y196 HydrophobicContact CG-CE2 3.38Å; M192-Y196 VanDerWaalsContact CG-CZ 3.47Å; M192-Y196 WeakPolarHBondContact O-CD2 3.02Å; M192-Y196 PolarHBondContact O-N 3.39Å; M192-Y196 HydrophobicContact SD-CE2 3.78Å; M192-Y196 PolarHBondContact SD-OH 2.78Å; M192-Y196 VanDerWaalsContact SD-OH 3.4Å; V193-Y196 PolarHBondContact O-N 2.79Å; Y196-Q198 VanDerWaalsContact C-N 3.34Å; Y196-Q198 PolarHBondContact O-N 2.94Å; Y196-E199 PolarHBondContact O-N 3.46Å; Y196-I200 WeakPolarHBondContact O-CB 3.46Å; Y196-I200 VanDerWaalsContact O-CG1 3.29Å; Y196-I200 WeakPolarHBondContact O-CG1 3.48Å; Y196-I200 PolarHBondContact O-N 2.99Å
197E92.5Very high90.9Very high93 Ų9375.5 Ų75.544%0.43543%0.426SS..Hα-helixtrans-63.2-41.4175.7-71.5177.3177.700111.7Y154 V193 Q195 A201Y154-E197 PolarHBondContact OH-OE1 2.84Å; V193-E197 WeakPolarHBondContact O-CG 3.13Å; V193-E197 PolarHBondContact O-N 3.3Å; Q195-E197 PolarHBondContact O-N 2.73Å; E197-A201 WeakPolarHBondContact O-CB 3.32Å; E197-A201 PolarHBondContact O-N 2.97Å
198Q94.4Very high90.5Very high140 Ų14069.8 Ų69.865%0.65440%0.401SS*.Hα-helixtrans-63.8-45173.3-72.3174.74.900112.2A194 Q195 Y196 I200 A201 A202A194-Q198 VanDerWaalsContact O-CG 3.28Å; A194-Q198 WeakPolarHBondContact O-CG 3.25Å; A194-Q198 PolarHBondContact O-N 3.09Å; Q195-Q198 PolarHBondContact O-N 2.98Å; Y196-Q198 VanDerWaalsContact C-N 3.34Å; Y196-Q198 PolarHBondContact O-N 2.94Å; Q198-I200 PolarHBondContact O-N 3.1Å; Q198-A201 PolarHBondContact O-N 3.22Å; Q198-A202 WeakPolarHBondContact O-CB 3.24Å; Q198-A202 PolarHBondContact O-N 3.11Å
199E93.5Very high89.9Confident57 Ų5772.2 Ų72.227%0.26642%0.419SS..Hα-helixtrans-63.1-39.9178.5-74.6-179.5-16900112A132 Q195 Y196 A203A132-E199 HydrophobicContact CB-CB 3.83Å; A132-E199 WeakPolarHBondContact CB-O 3.31Å; Q195-E199 HydrophobicContact CG-CG 4.42Å; Q195-E199 PolarHBondContact NE2-OE1 2.64Å; Q195-E199 WeakPolarHBondContact O-CG 3.35Å; Q195-E199 PolarHBondContact O-N 2.88Å; Y196-E199 PolarHBondContact O-N 3.46Å; E199-A203 VanDerWaalsContact O-CB 3.31Å; E199-A203 WeakPolarHBondContact O-CB 3.39Å; E199-A203 PolarHBondContact O-N 3.41Å
200I91.7Very high88.9Confident50 Ų5076.1 Ų76.126%0.25644%0.44SS..Hα-helixtrans-65.9-45.8175-70.7168.5000110.8A132 Y145 D147 Y196 Q198 A202 A203 A204A132-I200 HydrophobicContact CB-CG1 4.03Å; Y145-I200 HydrophobicContact CE1-CD1 4.14Å; Y145-I200 HydrophobicContact CE1-CG1 4.42Å; D147-I200 HydrophobicContact CB-CD1 3.98Å; D147-I200 WeakPolarHBondContact OD2-CD1 3.3Å; Y196-I200 WeakPolarHBondContact O-CB 3.46Å; Y196-I200 VanDerWaalsContact O-CG1 3.29Å; Y196-I200 WeakPolarHBondContact O-CG1 3.48Å; Y196-I200 PolarHBondContact O-N 2.99Å; Q198-I200 PolarHBondContact O-N 3.1Å; I200-A202 VanDerWaalsContact C-N 3.31Å; I200-A202 PolarHBondContact O-N 3.43Å; I200-A203 PolarHBondContact O-N 3.06Å; I200-A204 WeakPolarHBondContact O-CB 3.41Å; I200-A204 PolarHBondContact O-N 3.08Å
201A92.1Very high87.4Confident53 Ų5376.7 Ų76.744%0.43844%0.438SS..Hα-helixtrans-62.2-39.5177.900000111.9E197 Q198 N205E197-A201 WeakPolarHBondContact O-CB 3.32Å; E197-A201 PolarHBondContact O-N 2.97Å; Q198-A201 PolarHBondContact O-N 3.22Å; A201-N205 PolarHBondContact O-ND2 2.84Å
202A93.1Very high85.3Confident63 Ų6379.5 Ų79.552%0.52145%0.449SS..Hα-helixtrans-65.2-45.1174.200000111.7Q198 I200 A204 N205 A206Q198-A202 WeakPolarHBondContact O-CB 3.24Å; Q198-A202 PolarHBondContact O-N 3.11Å; I200-A202 VanDerWaalsContact C-N 3.31Å; I200-A202 PolarHBondContact O-N 3.43Å; A202-A204 VanDerWaalsContact C-N 3.32Å; A202-A204 PolarHBondContact O-N 2.82Å; A202-N205 PolarHBondContact O-N 3.19Å; A202-A206 PolarHBondContact O-N 3.01Å; A202-A206 VanDerWaalsContact O-N 3.14Å
203A90.4Very high83.2Confident20 Ų2086.9 Ų86.917%0.16548%0.483CS..Hα-helixtrans-66.7-30.6179.500000113.5A132 R139 E199 I200 N205 A206A132-A203 HydrophobicContact CB-CB 4.06Å; R139-A203 PolarHBondContact NH1-O 3.23Å; R139-A203 VanDerWaalsContact NH1-O 3.1Å; E199-A203 VanDerWaalsContact O-CB 3.31Å; E199-A203 WeakPolarHBondContact O-CB 3.39Å; E199-A203 PolarHBondContact O-N 3.41Å; I200-A203 PolarHBondContact O-N 3.06Å; A203-N205 VanDerWaalsContact C-N 3.26Å; A203-N205 PolarHBondContact O-N 3Å; A203-A206 PolarHBondContact O-N 3.09Å
204A87.6Confident80.8Confident56 Ų5693.6 Ų93.646%0.46352%0.518SS..Hα-helixtrans-65-31.217500000112.5I200 A202I200-A204 WeakPolarHBondContact O-CB 3.41Å; I200-A204 PolarHBondContact O-N 3.08Å; A202-A204 VanDerWaalsContact C-N 3.32Å; A202-A204 PolarHBondContact O-N 2.82Å
205N85.7Confident78.4Confident143 Ų14398 Ų9877%0.76554%0.535SS*.Hα-helixtrans-93.8-10.6179.8-66.8-54.1000113.8A201 A202 A203A201-N205 PolarHBondContact O-ND2 2.84Å; A202-N205 PolarHBondContact O-N 3.19Å; A203-N205 VanDerWaalsContact C-N 3.26Å; A203-N205 PolarHBondContact O-N 3Å
206A87.1Confident77.7Confident46 Ų4697.9 Ų97.938%0.3854%0.539SS..SBendtrans-72.8151178.600000111.7R139 A202 A203R139-A206 VanDerWaalsContact CZ-O 3.23Å; R139-A206 PolarHBondContact NH1-O 3.5Å; R139-A206 PolarHBondContact NH2-O 3.45Å; A202-A206 PolarHBondContact O-N 3.01Å; A202-A206 VanDerWaalsContact O-N 3.14Å; A203-A206 PolarHBondContact O-N 3.09Å
207E84.1Confident76.9Confident188 Ų188102.6 Ų102.688%0.87957%0.565SS**PPolyproline II helixtrans-61.3143.7169.7-68.7179169.400110.3
208L80.9Confident76Confident64 Ų64103.1 Ų103.134%0.33557%0.572SS.*PPolyproline II helixtrans-71.3137.7172.9-73172000107.9T136 R139 K140 D210T136-L208 HydrophobicContact CG2-CD2 4.03Å; R139-L208 HydrophobicContact CB-CD1 4.26Å; R139-L208 HydrophobicContact CB-CD2 3.99Å; R139-L208 HydrophobicContact CG-CD2 4.48Å; K140-L208 HydrophobicContact CG-CD1 4.49Å; L208-D210 PolarHBondContact O-N 3.39Å
209P77.2Confident74.9Confident80 Ų80100.9 Ų100.952%0.51957%0.567SS.*PPolyproline II helixtrans-55.1136.8171-19.430000109.7D211P209-D211 PolarHBondContact O-N 3.25Å
210D69.1Low73.8Confident149 Ų149103.7 Ų103.780%0.79759%0.586SS**PPolyproline II helixtrans-55.1137.7172-69.9-38.6000109.5L208 D212L208-D210 PolarHBondContact O-N 3.39Å; D210-D212 PolarHBondContact O-N 3.17Å
211D59.9Low72.6Confident116 Ų116107.3 Ų107.362%0.6261%0.608SS**SBendtrans-68.929.6-165.1-84.6-34.2000115.5K140 P209K140-D211 WeakPolarHBondContact CE-OD1 2.96Å; K140-D211 IonicContact NZ-OD1 2.65Å; K140-D211 PolarHBondContact NZ-OD1 2.57Å; P209-D211 PolarHBondContact O-N 3.25Å
212D50.1Low71.2Confident158 Ų158111.1 Ų111.185%0.84562%0.62SS**  trans-89.63.6-177-75.7-23.1000114.8D210D210-D212 PolarHBondContact O-N 3.17Å
213E46.1Very low69.5Low173 Ų173114.8 Ų114.881%0.80863%0.628SS**  trans-120.987.7167.5-72.3-170.8175.800110.2L215E213-L215 PolarHBondContact O-N 3.35Å
214D40.7Very low67.8Low166 Ų166122.8 Ų122.889%0.88867%0.667SS**  trans-52.8103.7159.8-79.6-38.2000109
215L44.6Very low65.9Low134 Ų134128.8 Ų128.870%0.70269%0.685SS**  trans-71.90166.6-86.7167.2000111.3K98 E213K98-L215 WeakPolarHBondContact CE-OXT 3.3Å; K98-L215 HydrophobicContact CG-CD2 4.4Å; E213-L215 PolarHBondContact O-N 3.35Å

Retrieved 215 of 215 residues in 68.3 ms (Link to these results)