A0A3Q0KUP4_SCHMA Loading...

SPRY domain-containing protein 7

AlphaFold DB , UniProt , Accession A0A3Q0KUP4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 188 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.5Very low84.1Confident207 Ų20798.7 Ų98.7100%1.0248%0.477SS*.  0120.20-161.9166.5173.900107F3M1-F3 HydrophobicContact CB-CE2 4.42Å; M1-F3 HydrophobicContact CB-CZ 4.44Å; M1-F3 WeakPolarHBondContact O-CD2 3.13Å; M1-F3 PolarHBondContact O-N 3.35Å; M1-F3 HydrophobicContact SD-CE1 4.48Å
2K53.6Low85.2Confident171 Ų17191.9 Ų91.974%0.74345%0.449SS*.  trans-77.8114.2175.1-79.1-174.7178.5-177.50107.3Y4K2-Y4 HydrophobicContact CB-CE2 3.85Å; K2-Y4 WeakPolarHBondContact CD-OH 3.45Å
3F69.2Low86.2Confident118 Ų11885.3 Ų85.352%0.51842%0.418SS..  trans-89.5126.1175.3-63.8-84.5000108.6M1 F182M1-F3 HydrophobicContact CB-CE2 4.42Å; M1-F3 HydrophobicContact CB-CZ 4.44Å; M1-F3 WeakPolarHBondContact O-CD2 3.13Å; M1-F3 PolarHBondContact O-N 3.35Å; M1-F3 HydrophobicContact SD-CE1 4.48Å; F3-F182 HydrophobicContact CB-CD1 4.31Å; F3-F182 HydrophobicContact CB-CD2 3.71Å; F3-F182 HydrophobicContact CB-CE1 3.7Å; F3-F182 HydrophobicContact CB-CE2 3.01Å; F3-F182 HydrophobicContact CB-CG 4.32Å; F3-F182 HydrophobicContact CB-CZ 3.01Å; F3-F182 HydrophobicContact CD1-CE1 4.36Å; F3-F182 HydrophobicContact CD1-CZ 4.14Å; F3-F182 HydrophobicContact CD2-CD1 4.09Å; F3-F182 AromaticContact CD2-CE1 3.84Å; F3-F182 HydrophobicContact CD2-CE1 3.84Å; F3-F182 HydrophobicContact CD2-CE2 4.48Å; F3-F182 HydrophobicContact CD2-CZ 4.07Å; F3-F182 HydrophobicContact CG-CD1 4.39Å; F3-F182 AromaticContact CG-CE1 3.74Å; F3-F182 HydrophobicContact CG-CE1 3.74Å; F3-F182 AromaticContact CG-CE2 4Å; F3-F182 HydrophobicContact CG-CE2 4Å; F3-F182 AromaticContact CG-CZ 3.53Å; F3-F182 HydrophobicContact CG-CZ 3.53Å; F3-F182 WeakPolarHBondContact O-CE2 3.49Å
4Y86.3Confident86.9Confident144 Ų14488.1 Ų88.157%0.56545%0.446SS*.  trans-107.1143.6178.3-62.4-80.7000109.5K2 K6 N34 I35K2-Y4 HydrophobicContact CB-CE2 3.85Å; K2-Y4 WeakPolarHBondContact CD-OH 3.45Å; Y4-K6 PolarHBondContact O-N 2.82Å; Y4-N34 PolarHBondContact O-ND2 2.75Å; Y4-N34 VanDerWaalsContact O-ND2 3.08Å; Y4-N34 PolarHBondContact O-OD1 3.11Å; Y4-I35 WeakPolarHBondContact O-CD1 3.45Å
5V93.9Very high87.5Confident16 Ų1687.4 Ų87.410%0.09745%0.452CS..  trans-69.4127.3168.1-173.40000108.9T33 I35 F162 I180V5-T33 HydrophobicContact CG1-CG2 3.65Å; V5-I35 HydrophobicContact CB-CD1 4.39Å; V5-I35 HydrophobicContact CG2-CB 4.27Å; V5-I35 HydrophobicContact CG2-CD1 3.84Å; V5-I35 HydrophobicContact CG2-CG2 4.46Å; V5-F162 HydrophobicContact CB-CB 3.83Å; V5-F162 HydrophobicContact CB-CD1 4.4Å; V5-F162 HydrophobicContact CB-CD2 4.11Å; V5-F162 HydrophobicContact CB-CG 3.87Å; V5-F162 HydrophobicContact CG1-CB 4.04Å; V5-F162 HydrophobicContact CG1-CD1 3.65Å; V5-F162 HydrophobicContact CG1-CD2 3.82Å; V5-F162 HydrophobicContact CG1-CE1 3.99Å; V5-F162 HydrophobicContact CG1-CE2 4.13Å; V5-F162 HydrophobicContact CG1-CG 3.56Å; V5-F162 HydrophobicContact CG1-CZ 4.21Å; V5-F162 VanDerWaalsContact O-CD2 3.28Å; V5-F162 WeakPolarHBondContact O-CD2 3.21Å; V5-I180 HydrophobicContact CG1-CD1 4.39Å; V5-I180 HydrophobicContact CG2-CB 3.81Å; V5-I180 HydrophobicContact CG2-CD1 4.43Å; V5-I180 HydrophobicContact CG2-CG2 3.67Å
6K96.5Very high88.1Confident89 Ų8982.9 Ų82.939%0.38743%0.43SS..  trans-154.7164.4177.762.7177.9-178176.30109.5Y4 D8 T33 N34Y4-K6 PolarHBondContact O-N 2.82Å; K6-D8 PolarHBondContact O-N 3.37Å; K6-T33 CarbonylContact O-C 3.51Å; K6-T33 WeakPolarHBondContact O-CA 3.45Å; K6-N34 PolarHBondContact N-OD1 3.08Å; K6-N34 PolarHBondContact O-N 2.67Å; K6-N34 PolarHBondContact O-OD1 3.29Å
7L98.2Very high88.6Confident0 Ų083.6 Ų83.60%043%0.434CS..BIsolated β-bridgetrans-62130.8169.4-60.5174.7000109.9V9 I18 G22 I25 A31 L150 V160L7-V9 PolarHBondContact O-N 3.18Å; L7-I18 HydrophobicContact CB-CD1 3.97Å; L7-I18 HydrophobicContact CB-CG1 4.32Å; L7-I18 HydrophobicContact CB-CG2 4.16Å; L7-G22 PolarHBondContact N-O 2.85Å; L7-I25 HydrophobicContact CD1-CB 3.68Å; L7-I25 HydrophobicContact CD1-CD1 4.37Å; L7-I25 HydrophobicContact CD1-CG1 4.41Å; L7-I25 HydrophobicContact CD1-CG2 4.15Å; L7-A31 HydrophobicContact CB-CB 4.17Å; L7-A31 HydrophobicContact CD2-CB 4.25Å; L7-L150 HydrophobicContact CD2-CD1 4.26Å; L7-V160 HydrophobicContact CD1-CG1 4.11Å; L7-V160 HydrophobicContact CG-CG1 4.07Å
8D97.1Very high89.1Confident30 Ų3080.8 Ų80.816%0.1642%0.419CS..  trans-84.4103.7-175.7-176.815.9000111.6K6 L10 T11 A12 R32 N34K6-D8 PolarHBondContact O-N 3.37Å; D8-L10 PolarHBondContact O-N 3Å; D8-L10 PolarHBondContact OD1-N 2.79Å; D8-T11 WeakPolarHBondContact CB-OG1 3.08Å; D8-T11 VanDerWaalsContact CG-OG1 3.26Å; D8-T11 PolarHBondContact O-N 3.16Å; D8-T11 WeakPolarHBondContact OD2-CB 3.38Å; D8-T11 WeakPolarHBondContact OD2-CG2 3.12Å; D8-T11 PolarHBondContact OD2-OG1 2.92Å; D8-A12 VanDerWaalsContact O-CB 3.3Å; D8-A12 WeakPolarHBondContact O-CB 3.3Å; D8-A12 PolarHBondContact O-N 2.82Å; D8-R32 PolarHBondContact N-O 3.13Å; D8-N34 HydrophobicContact CB-CB 4.03Å
9V96Very high89.5Confident94 Ų9481.1 Ų81.157%0.5742%0.421SS*.THydrogen-bonded Turntrans-62.2-27.4178.7-172.60000112.4L7 I18L7-V9 PolarHBondContact O-N 3.18Å; V9-I18 HydrophobicContact CB-CD1 4.41Å; V9-I18 HydrophobicContact CG2-CB 4.04Å; V9-I18 HydrophobicContact CG2-CD1 3.99Å; V9-I18 HydrophobicContact CG2-CG2 3.87Å
10L95.2Very high89.8Confident162 Ų16283.2 Ų83.285%0.84843%0.426SS*.THydrogen-bonded Turntrans-77.9-26-175.8-61.7179.5000112.9D8D8-L10 PolarHBondContact O-N 3Å; D8-L10 PolarHBondContact OD1-N 2.79Å
11T95.8Very high90.1Very high55 Ų5584.6 Ų84.634%0.33744%0.444SS..THydrogen-bonded Turntrans-110.2-9.5-178.758.20000113.5D8 L66D8-T11 WeakPolarHBondContact CB-OG1 3.08Å; D8-T11 VanDerWaalsContact CG-OG1 3.26Å; D8-T11 PolarHBondContact O-N 3.16Å; D8-T11 WeakPolarHBondContact OD2-CB 3.38Å; D8-T11 WeakPolarHBondContact OD2-CG2 3.12Å; D8-T11 PolarHBondContact OD2-OG1 2.92Å; T11-L66 WeakPolarHBondContact O-CD1 3.34Å
12A97.8Very high92.6Very high17 Ų1775 Ų7514%0.1440%0.397CS..SBendtrans-60.1157.3177.300000113.4D8 V16 I18 A31D8-A12 VanDerWaalsContact O-CB 3.3Å; D8-A12 WeakPolarHBondContact O-CB 3.3Å; D8-A12 PolarHBondContact O-N 2.82Å; A12-V16 HydrophobicContact CB-CG1 3.69Å; A12-I18 HydrophobicContact CB-CD1 3.62Å; A12-A31 HydrophobicContact CB-CB 3.7Å
13A97.7Very high94.7Very high6 Ų669.2 Ų69.25%0.0538%0.375CS..  trans-57139.2174.800000111.6S15 V16 A30 L66A13-S15 PolarHBondContact O-N 2.92Å; A13-V16 HydrophobicContact CB-CB 4.37Å; A13-V16 WeakPolarHBondContact O-CG1 3.38Å; A13-V16 PolarHBondContact O-N 3.23Å; A13-A30 PolarHBondContact N-O 2.85Å; A13-L66 WeakPolarHBondContact CB-O 3.39Å
14P96.2Very high96.1Very high124 Ų12467.1 Ų67.181%0.80536%0.363SS*.THydrogen-bonded Turntrans-58.1-27.2-176.6-26.534.4000114.8
15S95.7Very high96.6Very high78 Ų7860.2 Ų60.255%0.54534%0.336SS..THydrogen-bonded Turntrans-91.7-0.3-177.2-60.50000114A13 S27 N28A13-S15 PolarHBondContact O-N 2.92Å; S15-S27 VanDerWaalsContact O-CB 3.22Å; S15-S27 WeakPolarHBondContact O-CB 3.28Å; S15-S27 PolarHBondContact O-OG 2.86Å; S15-N28 CarbonylContact C-O 3.55Å; S15-N28 VanDerWaalsContact CB-O 3.27Å; S15-N28 WeakPolarHBondContact CB-O 3.47Å; S15-N28 PolarHBondContact O-N 3.47Å
16V96.4Very high96.8Very high15 Ų1560.4 Ų60.49%0.09134%0.338CS..EExtended strand (participates in β ladder)trans-92.5144.7-179.993.20000111A12 A13 I18 I25 C26 N28 V152A12-V16 HydrophobicContact CB-CG1 3.69Å; A13-V16 HydrophobicContact CB-CB 4.37Å; A13-V16 WeakPolarHBondContact O-CG1 3.38Å; A13-V16 PolarHBondContact O-N 3.23Å; V16-I18 HydrophobicContact CG1-CD1 4.37Å; V16-I18 HydrophobicContact CG1-CG1 4.25Å; V16-I25 HydrophobicContact CG2-CD1 3.67Å; V16-I25 HydrophobicContact CG2-CG1 3.4Å; V16-I25 VanDerWaalsContact CG2-CG1 3.4Å; V16-C26 VanDerWaalsContact CG2-O 3.24Å; V16-C26 WeakPolarHBondContact CG2-O 3.45Å; V16-N28 PolarHBondContact N-O 3.05Å; V16-V152 HydrophobicContact CG2-CG2 3.83Å
17L96.9Very high96.7Very high96 Ų9658 Ų5850%0.50333%0.332SS..EExtended strand (participates in β ladder)trans-107.7124.1175.1-65179.3000109.4I25 C26L17-I25 WeakPolarHBondContact O-CA 3.16Å; L17-C26 PolarHBondContact N-O 2.88Å; L17-C26 PolarHBondContact O-N 2.83Å
18I98Very high96.6Very high32 Ų3261.1 Ų61.116%0.16435%0.349CS..EExtended strand (participates in β ladder)trans-108.3118.8175.6-67.1167.1000109L7 V9 A12 V16 G22 R24 A31L7-I18 HydrophobicContact CB-CD1 3.97Å; L7-I18 HydrophobicContact CB-CG1 4.32Å; L7-I18 HydrophobicContact CB-CG2 4.16Å; V9-I18 HydrophobicContact CB-CD1 4.41Å; V9-I18 HydrophobicContact CG2-CB 4.04Å; V9-I18 HydrophobicContact CG2-CD1 3.99Å; V9-I18 HydrophobicContact CG2-CG2 3.87Å; A12-I18 HydrophobicContact CB-CD1 3.62Å; V16-I18 HydrophobicContact CG1-CD1 4.37Å; V16-I18 HydrophobicContact CG1-CG1 4.25Å; I18-G22 VanDerWaalsContact CG2-CA 3.48Å; I18-R24 CarbonylContact C-O 3.53Å; I18-R24 VanDerWaalsContact CA-O 3.3Å; I18-R24 WeakPolarHBondContact CA-O 3.49Å; I18-A31 HydrophobicContact CD1-CB 3.76Å; I18-A31 HydrophobicContact CG1-CB 4.44Å
19L96.9Very high96.6Very high86 Ų8659.7 Ų59.745%0.4534%0.342SS..EExtended strand (participates in β ladder)trans-120.4-177.2-173.7-56.6174.6000110.6S21 G22 L23 R24L19-S21 PolarHBondContact O-N 3.15Å; L19-S21 VanDerWaalsContact O-N 3.15Å; L19-G22 PolarHBondContact O-N 3.37Å; L19-L23 PolarHBondContact O-N 3.36Å; L19-L23 VanDerWaalsContact O-N 3.12Å; L19-R24 HydrophobicContact CB-CB 3.99Å; L19-R24 HydrophobicContact CB-CG 4.13Å; L19-R24 PolarHBondContact N-O 2.82Å; L19-R24 PolarHBondContact O-N 2.77Å; L19-R24 VanDerWaalsContact O-N 3.17Å
20K95.9Very high96.7Very high123 Ų12355.2 Ų55.254%0.53532%0.315SS..THydrogen-bonded Turntrans5143.5175.5-163.6178175.9-175.10112.3G22 L23 R24 D159K20-G22 VanDerWaalsContact C-N 3.29Å; K20-G22 PolarHBondContact O-N 2.78Å; K20-L23 HydrophobicContact CB-CB 4.41Å; K20-L23 HydrophobicContact CD-CB 4.46Å; K20-L23 HydrophobicContact CG-CB 4.36Å; K20-L23 WeakPolarHBondContact O-CB 3.38Å; K20-L23 PolarHBondContact O-N 2.72Å; K20-R24 HydrophobicContact CB-CB 3.88Å; K20-D159 IonicContact NZ-OD2 3.83Å; K20-D159 PolarHBondContact NZ-OD2 2.81Å
21S94.7Very high96.8Very high114 Ų11447.5 Ų47.580%0.79727%0.274SS*.THydrogen-bonded Turntrans5932.9-178.7-54.60000114.9L19L19-S21 PolarHBondContact O-N 3.15Å; L19-S21 VanDerWaalsContact O-N 3.15Å
22G96.6Very high96.9Very high4 Ų446.2 Ų46.24%0.04126%0.263CS..THydrogen-bonded Turntrans95.813.818000000114.7L7 I18 L19 K20L7-G22 PolarHBondContact N-O 2.85Å; I18-G22 VanDerWaalsContact CG2-CA 3.48Å; L19-G22 PolarHBondContact O-N 3.37Å; K20-G22 VanDerWaalsContact C-N 3.29Å; K20-G22 PolarHBondContact O-N 2.78Å
23L97.7Very high97Very high51 Ų5145.4 Ų45.427%0.26726%0.257SS..THydrogen-bonded Turntrans-118.28-174.9-58.1177000113.3L19 K20 D159 V160 F162L19-L23 PolarHBondContact O-N 3.36Å; L19-L23 VanDerWaalsContact O-N 3.12Å; K20-L23 HydrophobicContact CB-CB 4.41Å; K20-L23 HydrophobicContact CD-CB 4.46Å; K20-L23 HydrophobicContact CG-CB 4.36Å; K20-L23 WeakPolarHBondContact O-CB 3.38Å; K20-L23 PolarHBondContact O-N 2.72Å; L23-D159 WeakPolarHBondContact O-CA 3.47Å; L23-V160 HydrophobicContact CD2-CG1 4.48Å; L23-V160 PolarHBondContact O-N 3.48Å; L23-F162 HydrophobicContact CD2-CD2 3.95Å; L23-F162 HydrophobicContact CD2-CE2 4.17Å
24R98.2Very high96.9Very high73 Ų7347.7 Ų47.728%0.27527%0.268SS..EExtended strand (participates in β ladder)trans-138.2139.5173.3174.3170.4-66.7-163.5-6.3109.7I18 L19 K20 V157 L158 D159I18-R24 CarbonylContact C-O 3.53Å; I18-R24 VanDerWaalsContact CA-O 3.3Å; I18-R24 WeakPolarHBondContact CA-O 3.49Å; L19-R24 HydrophobicContact CB-CB 3.99Å; L19-R24 HydrophobicContact CB-CG 4.13Å; L19-R24 PolarHBondContact N-O 2.82Å; L19-R24 PolarHBondContact O-N 2.77Å; L19-R24 VanDerWaalsContact O-N 3.17Å; K20-R24 HydrophobicContact CB-CB 3.88Å; R24-V157 HydrophobicContact CG-CG1 3.96Å; R24-L158 CarbonylContact C-O 3.49Å; R24-L158 VanDerWaalsContact CA-O 3.29Å; R24-L158 WeakPolarHBondContact CA-O 3.21Å; R24-D159 WeakPolarHBondContact CB-OD1 3.3Å; R24-D159 IonicContact CZ-OD1 2.97Å; R24-D159 VanDerWaalsContact CZ-OD1 3.25Å; R24-D159 IonicContact CZ-OD2 2.65Å; R24-D159 IonicContact NE-OD1 3.25Å; R24-D159 PolarHBondContact NE-OD1 2.92Å; R24-D159 IonicContact NE-OD2 3.8Å; R24-D159 VanDerWaalsContact NH2-CG 3.28Å; R24-D159 IonicContact NH2-OD1 3.59Å; R24-D159 PolarHBondContact NH2-OD1 2.84Å; R24-D159 IonicContact NH2-OD2 3.57Å; R24-D159 PolarHBondContact NH2-OD2 2.83Å
25I98.3Very high96.8Very high0 Ų042.2 Ų42.20%023%0.232CC..EExtended strand (participates in β ladder)trans-128.8137.9175.4-166.7177.9000110.5L7 V16 L17 A31 L150 V152 L158L7-I25 HydrophobicContact CD1-CB 3.68Å; L7-I25 HydrophobicContact CD1-CD1 4.37Å; L7-I25 HydrophobicContact CD1-CG1 4.41Å; L7-I25 HydrophobicContact CD1-CG2 4.15Å; V16-I25 HydrophobicContact CG2-CD1 3.67Å; V16-I25 HydrophobicContact CG2-CG1 3.4Å; V16-I25 VanDerWaalsContact CG2-CG1 3.4Å; L17-I25 WeakPolarHBondContact O-CA 3.16Å; I25-A31 HydrophobicContact CD1-CB 3.8Å; I25-L150 HydrophobicContact CD1-CB 4.35Å; I25-L150 WeakPolarHBondContact CD1-O 3.37Å; I25-L150 HydrophobicContact CG2-CB 4.08Å; I25-L150 HydrophobicContact CG2-CD2 3.98Å; I25-V152 HydrophobicContact CD1-CG2 4.27Å; I25-V152 HydrophobicContact CG1-CG2 3.88Å; I25-V152 HydrophobicContact CG2-CG1 3.94Å; I25-L158 HydrophobicContact CG2-CB 3.79Å; I25-L158 HydrophobicContact CG2-CD1 4.31Å; I25-L158 HydrophobicContact CG2-CG 4.4Å; I25-L158 PolarHBondContact N-O 2.76Å; I25-L158 PolarHBondContact O-N 3.26Å
26C96.6Very high96.7Very high19 Ų1939.7 Ų39.713%0.12821%0.213CC..EExtended strand (participates in β ladder)trans-154.2-176.5174.664.20000111.4V16 L17 T156 V157V16-C26 VanDerWaalsContact CG2-O 3.24Å; V16-C26 WeakPolarHBondContact CG2-O 3.45Å; L17-C26 PolarHBondContact N-O 2.88Å; L17-C26 PolarHBondContact O-N 2.83Å; C26-T156 WeakPolarHBondContact CA-O 3.32Å; C26-V157 HydrophobicContact CB-CB 4.36Å; C26-V157 HydrophobicContact CB-CG1 4.33Å; C26-V157 HydrophobicContact CB-CG2 3.84Å
27S94.1Very high96.5Very high38 Ų3839.8 Ų39.827%0.26621%0.213SC..EExtended strand (participates in β ladder)trans77.7-127.5-173.5-170.50000112.2S15 E153S15-S27 VanDerWaalsContact O-CB 3.22Å; S15-S27 WeakPolarHBondContact O-CB 3.28Å; S15-S27 PolarHBondContact O-OG 2.86Å; S27-E153 WeakPolarHBondContact O-CA 3.35Å
28N96.3Very high96.1Very high66 Ų6639.2 Ų39.235%0.35321%0.21SC..SBendtrans-136.4125.5-172.2-65.9-74.3000111.2S15 V16 V152 E153 D154S15-N28 CarbonylContact C-O 3.55Å; S15-N28 VanDerWaalsContact CB-O 3.27Å; S15-N28 WeakPolarHBondContact CB-O 3.47Å; S15-N28 PolarHBondContact O-N 3.47Å; V16-N28 PolarHBondContact N-O 3.05Å; N28-V152 CarbonylContact C-O 3.59Å; N28-V152 VanDerWaalsContact CA-O 3.3Å; N28-V152 WeakPolarHBondContact CA-O 3.4Å; N28-E153 WeakPolarHBondContact OD1-CA 3.33Å; N28-D154 PolarHBondContact OD1-N 3.48Å; N28-D154 VanDerWaalsContact OD1-N 3.15Å
29G97.3Very high95.3Very high1 Ų139.6 Ų39.61%0.0121%0.211CC..EExtended strand (participates in β ladder)trans116.7-165.1179.600000112.5D67 G151 V152G29-D67 WeakPolarHBondContact CA-O 3.41Å; G29-G151 WeakPolarHBondContact O-CA 3.41Å; G29-V152 PolarHBondContact N-O 2.99Å; G29-V152 PolarHBondContact O-N 2.96Å
30A98.4Very high94.6Very high0 Ų040 Ų400%021%0.214CC..EExtended strand (participates in β ladder)trans-132.7162.1-173.200000113.4A13 L66 L72 V149 L150A13-A30 PolarHBondContact N-O 2.85Å; A30-L66 WeakPolarHBondContact CA-O 3.42Å; A30-L66 HydrophobicContact CB-CB 4.06Å; A30-L66 HydrophobicContact CB-CD2 4.23Å; A30-L66 VanDerWaalsContact CB-O 3.31Å; A30-L66 WeakPolarHBondContact CB-O 2.81Å; A30-L66 PolarHBondContact N-O 2.95Å; A30-L72 HydrophobicContact CB-CD1 3.69Å; A30-L72 HydrophobicContact CB-CD2 4.06Å; A30-L72 HydrophobicContact CB-CG 4.08Å; A30-V149 HydrophobicContact CB-CG2 4.42Å; A30-L150 CarbonylContact C-O 3.51Å; A30-L150 WeakPolarHBondContact CA-O 3.32Å; A30-L150 VanDerWaalsContact CB-O 3.3Å; A30-L150 WeakPolarHBondContact CB-O 3.44Å
31A98.5Very high94.2Very high0 Ų035.1 Ų35.10%019%0.192CC..EExtended strand (participates in β ladder)trans-141.2135.4172.200000109.5L7 A12 I18 I25 L150L7-A31 HydrophobicContact CB-CB 4.17Å; L7-A31 HydrophobicContact CD2-CB 4.25Å; A12-A31 HydrophobicContact CB-CB 3.7Å; I18-A31 HydrophobicContact CD1-CB 3.76Å; I18-A31 HydrophobicContact CG1-CB 4.44Å; I25-A31 HydrophobicContact CD1-CB 3.8Å; A31-L150 PolarHBondContact N-O 3.45Å; A31-L150 PolarHBondContact O-N 2.9Å
32R98Very high94.1Very high28 Ų2829.8 Ų29.811%0.10615%0.154CC..EExtended strand (participates in β ladder)trans-92.5170165.365.5172.4169.7-120.64.8110.6D8 T61 V62 L66 P148 V149D8-R32 PolarHBondContact N-O 3.13Å; R32-T61 PolarHBondContact NH1-O 3.07Å; R32-V62 VanDerWaalsContact CZ-O 3.27Å; R32-V62 VanDerWaalsContact NH1-CA 3.32Å; R32-V62 PolarHBondContact NH1-O 3.29Å; R32-V62 PolarHBondContact NH2-O 3.49Å; R32-V62 VanDerWaalsContact NH2-O 3.1Å; R32-L66 HydrophobicContact CG-CD1 4.18Å; R32-P148 CarbonylContact C-O 3.58Å; R32-P148 VanDerWaalsContact CA-O 3.23Å; R32-P148 WeakPolarHBondContact CA-O 2.96Å; R32-V149 HydrophobicContact CB-CB 4.45Å; R32-V149 HydrophobicContact CB-CG2 4.41Å
33T97.9Very high93.9Very high0 Ų029.8 Ų29.80%015%0.153CC..BIsolated β-bridgetrans-72.515917354.40000112.8V5 K6 I35 Y147 P148 F162V5-T33 HydrophobicContact CG1-CG2 3.65Å; K6-T33 CarbonylContact O-C 3.51Å; K6-T33 WeakPolarHBondContact O-CA 3.45Å; T33-I35 PolarHBondContact O-N 3.34Å; T33-I35 PolarHBondContact OG1-O 2.86Å; T33-Y147 VanDerWaalsContact O-CD1 3.27Å; T33-Y147 WeakPolarHBondContact O-CD1 3.24Å; T33-P148 HydrophobicContact CG2-CB 3.76Å; T33-P148 HydrophobicContact CG2-CG 4.02Å; T33-P148 PolarHBondContact N-O 2.84Å; T33-P148 WeakPolarHBondContact OG1-CD 3.44Å; T33-F162 HydrophobicContact CG2-CD1 4.47Å; T33-F162 HydrophobicContact CG2-CE1 3.56Å; T33-F162 HydrophobicContact CG2-CE2 4.2Å; T33-F162 HydrophobicContact CG2-CZ 3.38Å
34N95.9Very high93.9Very high54 Ų5427.5 Ų27.529%0.28914%0.141SC..SBendtrans-72.7-15.3172.863.6-32.5000113.8Y4 K6 D8Y4-N34 PolarHBondContact O-ND2 2.75Å; Y4-N34 VanDerWaalsContact O-ND2 3.08Å; Y4-N34 PolarHBondContact O-OD1 3.11Å; K6-N34 PolarHBondContact N-OD1 3.08Å; K6-N34 PolarHBondContact O-N 2.67Å; K6-N34 PolarHBondContact O-OD1 3.29Å; D8-N34 HydrophobicContact CB-CB 4.03Å
35I94Very high93.8Very high9 Ų924.1 Ų24.15%0.04613%0.129CC..SBendtrans-131.2131-174.7-64.4146.2000108Y4 V5 T33 I38 I180 F182Y4-I35 WeakPolarHBondContact O-CD1 3.45Å; V5-I35 HydrophobicContact CB-CD1 4.39Å; V5-I35 HydrophobicContact CG2-CB 4.27Å; V5-I35 HydrophobicContact CG2-CD1 3.84Å; V5-I35 HydrophobicContact CG2-CG2 4.46Å; T33-I35 PolarHBondContact O-N 3.34Å; T33-I35 PolarHBondContact OG1-O 2.86Å; I35-I38 HydrophobicContact CG2-CD1 4.31Å; I35-I180 HydrophobicContact CG2-CG2 3.91Å; I35-F182 HydrophobicContact CD1-CD2 4.39Å; I35-F182 HydrophobicContact CD1-CE2 3.16Å; I35-F182 HydrophobicContact CD1-CZ 3.27Å; I35-F182 HydrophobicContact CG1-CE1 4.41Å; I35-F182 HydrophobicContact CG1-CE2 3.79Å; I35-F182 HydrophobicContact CG1-CZ 3.43Å; I35-F182 VanDerWaalsContact CG1-CZ 3.43Å; I35-F182 HydrophobicContact CG2-CE2 4.43Å; I35-F182 HydrophobicContact CG2-CZ 4.46Å
36P95Very high93.8Very high24 Ų2424.1 Ų24.116%0.15613%0.129CC..  trans-72.8170.5175.930.1-33.9000112.4I38 V145 L146 Y147P36-I38 HydrophobicContact CG-CD1 4.44Å; P36-I38 HydrophobicContact CG-CG1 3.99Å; P36-I38 PolarHBondContact O-N 2.85Å; P36-V145 HydrophobicContact CB-CG1 3.12Å; P36-V145 HydrophobicContact CG-CG1 3.66Å; P36-L146 CarbonylContact C-O 3.55Å; P36-L146 VanDerWaalsContact CA-O 3.3Å; P36-L146 WeakPolarHBondContact CA-O 2.83Å; P36-L146 WeakPolarHBondContact CB-O 3.45Å; P36-Y147 HydrophobicContact CB-CD1 4.07Å; P36-Y147 HydrophobicContact CB-CD2 4.22Å; P36-Y147 HydrophobicContact CB-CE1 3.74Å; P36-Y147 HydrophobicContact CB-CE2 3.87Å; P36-Y147 HydrophobicContact CB-CG 4.31Å; P36-Y147 HydrophobicContact CG-CE1 4.17Å
37I92.5Very high93.9Very high17 Ų1726.3 Ų26.39%0.08714%0.136CC..  trans-72.7110164.7-64166.6000107.7Q39 A42 L59 Y111 L146 P148I37-Q39 VanDerWaalsContact CG2-O 3.24Å; I37-Q39 WeakPolarHBondContact CG2-O 3.41Å; I37-A42 HydrophobicContact CB-CB 4.36Å; I37-A42 HydrophobicContact CD1-CB 3.88Å; I37-A42 HydrophobicContact CG1-CB 3.79Å; I37-A42 HydrophobicContact CG2-CB 3.67Å; I37-L59 HydrophobicContact CD1-CD1 4.35Å; I37-L59 HydrophobicContact CD1-CD2 3.55Å; I37-Y111 HydrophobicContact CD1-CD1 4.16Å; I37-Y111 HydrophobicContact CD1-CG 4.31Å; I37-Y111 HydrophobicContact CG2-CD1 3.87Å; I37-Y111 HydrophobicContact CG2-CE1 4.15Å; I37-L146 HydrophobicContact CD1-CB 4.45Å; I37-L146 PolarHBondContact N-O 3.47Å; I37-P148 HydrophobicContact CD1-CG 4.41Å; I37-P148 HydrophobicContact CG1-CG 4.38Å
38I86.6Confident94Very high84 Ų8424.7 Ų24.743%0.43112%0.124SC..  trans-99.1-20.7-179-57.6171.4000110.9I35 P36I35-I38 HydrophobicContact CG2-CD1 4.31Å; P36-I38 HydrophobicContact CG-CD1 4.44Å; P36-I38 HydrophobicContact CG-CG1 3.99Å; P36-I38 PolarHBondContact O-N 2.85Å
39Q81.8Confident94Very high40 Ų4024.2 Ų24.219%0.18712%0.12CC..SBendtrans-101.8163.1-178.774.8-82.77.700112.8I37 Y41 G178 I180I37-Q39 VanDerWaalsContact CG2-O 3.24Å; I37-Q39 WeakPolarHBondContact CG2-O 3.41Å; Q39-Y41 VanDerWaalsContact C-N 3.33Å; Q39-Y41 WeakPolarHBondContact CG-O 3.21Å; Q39-Y41 PolarHBondContact NE2-O 3.29Å; Q39-Y41 PolarHBondContact O-N 3Å; Q39-G178 PolarHBondContact NE2-O 2.93Å; Q39-I180 VanDerWaalsContact NE2-CA 3.26Å
40D82.4Confident93.5Very high96 Ų9627.8 Ų27.851%0.51314%0.139SC..SBendtrans-60.4-40.3178.6-75-15.2000113.4D112 K113D40-D112 VanDerWaalsContact O-CA 3.32Å; D40-D112 WeakPolarHBondContact O-CA 3.32Å; D40-K113 VanDerWaalsContact CB-CE 3.48Å; D40-K113 HydrophobicContact CB-CG 4.09Å; D40-K113 PolarHBondContact O-N 3.12Å; D40-K113 WeakPolarHBondContact OD2-CE 3.34Å; D40-K113 IonicContact OD2-NZ 3.02Å; D40-K113 PolarHBondContact OD2-NZ 2.87Å
41Y87.7Confident92.3Very high20 Ų2032.5 Ų32.58%0.07816%0.157CC..EExtended strand (participates in β ladder)trans-115.6117.3-177.4-173.3-77.8000111Q39 I110 Y111 D112 P171 S173 F177Q39-Y41 VanDerWaalsContact C-N 3.33Å; Q39-Y41 WeakPolarHBondContact CG-O 3.21Å; Q39-Y41 PolarHBondContact NE2-O 3.29Å; Q39-Y41 PolarHBondContact O-N 3Å; Y41-I110 HydrophobicContact CE2-CG2 3.67Å; Y41-Y111 CarbonylContact C-O 3.59Å; Y41-Y111 VanDerWaalsContact CA-O 3.31Å; Y41-Y111 WeakPolarHBondContact CA-O 3.16Å; Y41-D112 HydrophobicContact CD2-CB 4.13Å; Y41-P171 HydrophobicContact CE1-CB 4.37Å; Y41-P171 WeakPolarHBondContact OH-CB 3.27Å; Y41-S173 VanDerWaalsContact CE2-OG 3.28Å; Y41-S173 WeakPolarHBondContact CE2-OG 3.45Å; Y41-S173 PolarHBondContact OH-OG 2.71Å; Y41-F177 AromaticContact CD1-CD2 3.73Å; Y41-F177 HydrophobicContact CD1-CD2 3.73Å; Y41-F177 HydrophobicContact CD1-CE2 4.47Å; Y41-F177 AromaticContact CE1-CD2 3.55Å; Y41-F177 HydrophobicContact CE1-CD2 3.55Å; Y41-F177 HydrophobicContact CE1-CE2 4.25Å
42A91.5Very high91.2Very high1 Ų135.4 Ų35.41%0.00819%0.187CC..EExtended strand (participates in β ladder)trans-122.4142.5173.100000111.1I37 I110 Y111 I180I37-A42 HydrophobicContact CB-CB 4.36Å; I37-A42 HydrophobicContact CD1-CB 3.88Å; I37-A42 HydrophobicContact CG1-CB 3.79Å; I37-A42 HydrophobicContact CG2-CB 3.67Å; A42-I110 WeakPolarHBondContact O-CA 3.39Å; A42-Y111 PolarHBondContact N-O 3.39Å; A42-Y111 PolarHBondContact O-N 2.93Å; A42-I180 HydrophobicContact CB-CG1 4.28Å
43Y93.8Very high90.7Very high5 Ų534.4 Ų34.42%0.0219%0.186CC..EExtended strand (participates in β ladder)trans-138.2137.5172.6173.9-103.5000110.3E45 V109 I110 F167 Y169 P171Y43-E45 HydrophobicContact CE1-CG 3.69Å; Y43-E45 WeakPolarHBondContact OH-CG 3.44Å; Y43-E45 PolarHBondContact OH-OE1 2.81Å; Y43-V109 VanDerWaalsContact CA-O 3.29Å; Y43-V109 WeakPolarHBondContact CA-O 3.5Å; Y43-V109 WeakPolarHBondContact CD2-O 3.41Å; Y43-I110 HydrophobicContact CD2-CG1 3.55Å; Y43-I110 HydrophobicContact CE2-CG1 4.09Å; Y43-F167 HydrophobicContact CD1-CD1 4.49Å; Y43-F167 AromaticContact CD1-CD2 3.8Å; Y43-F167 HydrophobicContact CD1-CD2 3.8Å; Y43-F167 HydrophobicContact CD1-CE1 4.17Å; Y43-F167 AromaticContact CD1-CE2 3.46Å; Y43-F167 HydrophobicContact CD1-CE2 3.46Å; Y43-F167 VanDerWaalsContact CD1-CE2 3.46Å; Y43-F167 HydrophobicContact CD1-CG 4.35Å; Y43-F167 AromaticContact CD1-CZ 3.66Å; Y43-F167 HydrophobicContact CD1-CZ 3.66Å; Y43-F167 HydrophobicContact CE1-CD1 4.14Å; Y43-F167 AromaticContact CE1-CD2 3.67Å; Y43-F167 HydrophobicContact CE1-CD2 3.67Å; Y43-F167 HydrophobicContact CE1-CE1 4.25Å; Y43-F167 AromaticContact CE1-CE2 3.84Å; Y43-F167 HydrophobicContact CE1-CE2 3.84Å; Y43-F167 AromaticContact CE1-CG 3.88Å; Y43-F167 HydrophobicContact CE1-CG 3.88Å; Y43-F167 HydrophobicContact CE1-CZ 4.13Å; Y43-Y169 WeakPolarHBondContact CE1-O 3.45Å; Y43-Y169 PolarHBondContact OH-O 2.8Å; Y43-P171 HydrophobicContact CD1-CB 4.16Å; Y43-P171 HydrophobicContact CD1-CG 4.05Å; Y43-P171 HydrophobicContact CD2-CB 4.34Å; Y43-P171 HydrophobicContact CG-CB 4.05Å; Y43-P171 HydrophobicContact CG-CG 4.33Å
44Y96.2Very high90.6Very high3 Ų335.6 Ų35.61%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-145.1157.517070.4-85.2000109.8V46 I57 G58 L59 V109 P148 L150 V160 A161 F162Y44-V46 HydrophobicContact CD2-CG2 3.9Å; Y44-V46 HydrophobicContact CE2-CG2 3.64Å; Y44-I57 HydrophobicContact CE2-CG2 3.96Å; Y44-G58 WeakPolarHBondContact OH-CA 3.37Å; Y44-G58 PolarHBondContact OH-N 2.94Å; Y44-G58 PolarHBondContact OH-O 2.83Å; Y44-L59 HydrophobicContact CE1-CD2 4.3Å; Y44-V109 HydrophobicContact CD1-CB 3.92Å; Y44-V109 HydrophobicContact CD1-CG1 4.37Å; Y44-V109 HydrophobicContact CE1-CB 3.41Å; Y44-V109 VanDerWaalsContact CE1-CB 3.41Å; Y44-V109 HydrophobicContact CE1-CG1 3.53Å; Y44-V109 HydrophobicContact CE1-CG2 4.02Å; Y44-V109 HydrophobicContact CE2-CB 4.12Å; Y44-V109 HydrophobicContact CE2-CG2 3.88Å; Y44-V109 HydrophobicContact CG-CB 4.47Å; Y44-V109 PolarHBondContact N-O 3.31Å; Y44-V109 PolarHBondContact O-N 2.98Å; Y44-P148 HydrophobicContact CD1-CB 4.01Å; Y44-P148 HydrophobicContact CD1-CG 4.01Å; Y44-P148 HydrophobicContact CE1-CB 3.69Å; Y44-P148 HydrophobicContact CE1-CG 4Å; Y44-P148 HydrophobicContact CE2-CB 4.33Å; Y44-P148 HydrophobicContact CG-CB 4.45Å; Y44-L150 HydrophobicContact CE2-CD1 4.02Å; Y44-V160 HydrophobicContact CD2-CG2 3.97Å; Y44-A161 WeakPolarHBondContact CA-O 3.21Å; Y44-A161 WeakPolarHBondContact CB-O 3.18Å; Y44-F162 HydrophobicContact CD2-CE1 4.24Å; Y44-F162 HydrophobicContact CG-CD1 4.3Å; Y44-F162 HydrophobicContact CG-CE1 4.15Å
45E96.9Very high90.6Very high2 Ų233.2 Ų33.21%0.00918%0.181CC..EExtended strand (participates in β ladder)trans-115.4144.8179.9-71.6-172.8171.900111.1Y43 V106 I107 V160 A161 F167 N168 Y169Y43-E45 HydrophobicContact CE1-CG 3.69Å; Y43-E45 WeakPolarHBondContact OH-CG 3.44Å; Y43-E45 PolarHBondContact OH-OE1 2.81Å; E45-V106 HydrophobicContact CB-CG1 3.85Å; E45-V106 HydrophobicContact CG-CG1 3.93Å; E45-I107 CarbonylContact C-O 3.57Å; E45-I107 WeakPolarHBondContact CA-O 3.48Å; E45-V160 CarbonylContact O-C 3.58Å; E45-V160 VanDerWaalsContact O-CA 3.28Å; E45-V160 WeakPolarHBondContact O-CA 3.17Å; E45-V160 WeakPolarHBondContact O-CG2 3.36Å; E45-A161 HydrophobicContact CB-CB 4.37Å; E45-A161 PolarHBondContact N-O 2.95Å; E45-A161 PolarHBondContact O-N 2.75Å; E45-F167 HydrophobicContact CB-CD1 4.31Å; E45-F167 HydrophobicContact CG-CD1 3.93Å; E45-F167 HydrophobicContact CG-CG 4.39Å; E45-F167 WeakPolarHBondContact OE2-CA 3.36Å; E45-N168 PolarHBondContact OE1-N 2.79Å; E45-N168 PolarHBondContact OE2-N 2.89Å; E45-N168 PolarHBondContact OE2-ND2 3.35Å; E45-Y169 WeakPolarHBondContact OE1-CA 3.49Å; E45-Y169 PolarHBondContact OE1-N 3.33Å
46V98.2Very high90.8Very high0 Ų032.8 Ų32.80%018%0.178CC..EExtended strand (participates in β ladder)trans-125.2119.5171.2-173.90000109Y44 I57 V106 I107 L150 L158 D159 V160Y44-V46 HydrophobicContact CD2-CG2 3.9Å; Y44-V46 HydrophobicContact CE2-CG2 3.64Å; V46-I57 HydrophobicContact CB-CD1 3.8Å; V46-I57 HydrophobicContact CB-CG1 4.41Å; V46-I57 HydrophobicContact CB-CG2 4.42Å; V46-I57 HydrophobicContact CG1-CD1 3.61Å; V46-I57 HydrophobicContact CG1-CG1 4.15Å; V46-I57 HydrophobicContact CG2-CD1 4.19Å; V46-I57 HydrophobicContact CG2-CG1 4.29Å; V46-I57 HydrophobicContact CG2-CG2 3.68Å; V46-V106 CarbonylContact O-C 3.04Å; V46-V106 WeakPolarHBondContact O-CA 3.43Å; V46-I107 PolarHBondContact N-O 3.2Å; V46-I107 PolarHBondContact O-N 3.3Å; V46-L150 HydrophobicContact CG1-CD2 3.85Å; V46-L150 HydrophobicContact CG2-CD1 4.2Å; V46-L150 HydrophobicContact CG2-CD2 3.87Å; V46-L150 HydrophobicContact CG2-CG 4.13Å; V46-L158 HydrophobicContact CG1-CB 3.81Å; V46-L158 HydrophobicContact CG1-CD1 4.11Å; V46-L158 HydrophobicContact CG1-CD2 4.11Å; V46-L158 HydrophobicContact CG1-CG 4.24Å; V46-D159 CarbonylContact C-O 3.54Å; V46-D159 VanDerWaalsContact CA-O 3.26Å; V46-D159 WeakPolarHBondContact CA-O 3.43Å; V46-V160 HydrophobicContact CG2-CG2 4.27Å
47K98.1Very high91Very high65 Ų6531.6 Ų31.628%0.28317%0.171SC..EExtended strand (participates in β ladder)trans-94.8126.9173.3-178.1168.7-179.1166.30110.2Q49 G104 D105 V106 D159K47-Q49 PolarHBondContact O-N 3.29Å; K47-G104 WeakPolarHBondContact CE-O 3.33Å; K47-D105 WeakPolarHBondContact CA-O 3.22Å; K47-V106 HydrophobicContact CB-CG2 4.18Å; K47-V106 HydrophobicContact CD-CG2 4.38Å; K47-V106 HydrophobicContact CG-CG2 4.18Å; K47-D159 HydrophobicContact CB-CB 4.25Å; K47-D159 PolarHBondContact N-O 2.99Å; K47-D159 PolarHBondContact O-N 2.79Å
48L97.2Very high91.2Very high3 Ų330.8 Ų30.82%0.01617%0.167CC..EExtended strand (participates in β ladder)trans-76106.6174.7-52-173000108.5W55 I57 V101 G104 D105 I107 L158L48-W55 HydrophobicContact CD1-CZ2 4.27Å; L48-I57 HydrophobicContact CD2-CD1 4.43Å; L48-V101 HydrophobicContact CD1-CB 3.84Å; L48-V101 HydrophobicContact CD1-CG2 3.56Å; L48-G104 WeakPolarHBondContact O-CA 3.36Å; L48-G104 PolarHBondContact O-N 3.31Å; L48-D105 PolarHBondContact N-O 2.91Å; L48-I107 HydrophobicContact CD1-CD1 4.41Å; L48-I107 HydrophobicContact CD2-CD1 4.27Å; L48-L158 HydrophobicContact CD2-CD2 3.39Å
49Q96Very high91.8Very high57 Ų5726.8 Ų26.827%0.26615%0.146SC..EExtended strand (participates in β ladder)trans-94.2-34.2-174.5-71.5-74.1-4.700113.4K47 E103 V157 D159K47-Q49 PolarHBondContact O-N 3.29Å; Q49-E103 VanDerWaalsContact O-CD 3.28Å; Q49-E103 WeakPolarHBondContact O-CG 3.24Å; Q49-V157 HydrophobicContact CB-CB 4.07Å; Q49-V157 HydrophobicContact CB-CG1 3.94Å; Q49-V157 WeakPolarHBondContact CB-O 3.45Å; Q49-V157 PolarHBondContact N-O 3.36Å; Q49-D159 HydrophobicContact CG-CB 4.05Å; Q49-D159 PolarHBondContact NE2-OD2 3.15Å
50N86.4Confident92.5Very high76 Ų7624.9 Ų24.941%0.40614%0.137SC..EExtended strand (participates in β ladder)trans-153.5130.7172.2-175.5-41.9000107.3T156 V157N50-T156 WeakPolarHBondContact O-CA 3.23Å; N50-V157 HydrophobicContact CB-CB 4.18Å; N50-V157 HydrophobicContact CB-CG2 4.11Å; N50-V157 PolarHBondContact N-O 2.77Å; N50-V157 PolarHBondContact O-N 3.03Å
51Y73.9Confident93.1Very high99 Ų9920.5 Ų20.539%0.38811%0.114SC..  trans-12187.6-178.6178.9-110.6000110.6G53 W55 N83Y51-G53 WeakPolarHBondContact CE2-O 3.24Å; Y51-G53 VanDerWaalsContact CZ-O 3.27Å; Y51-G53 PolarHBondContact OH-O 3.3Å; Y51-W55 AromaticContact CD2-CD1 3.49Å; Y51-W55 VanDerWaalsContact CD2-CD1 3.49Å; Y51-W55 AromaticContact CD2-NE1 3.46Å; Y51-W55 AromaticContact CE2-CD1 3.53Å; Y51-W55 AromaticContact CE2-NE1 3.43Å; Y51-N83 HydrophobicContact CE2-CB 3.73Å; Y51-N83 PolarHBondContact OH-ND2 3.45Å
52G75.5Confident93.5Very high60 Ų6023 Ų2362%0.61913%0.131SC*.SBendtrans-102.1-9.6168.900000114.2D154G52-D154 CarbonylContact C-O 3.59Å
53G87.7Confident93.5Very high8 Ų828.9 Ų28.98%0.08216%0.162CC..SBendtrans-144.2-146-162.100000115Y51 T156Y51-G53 WeakPolarHBondContact CE2-O 3.24Å; Y51-G53 VanDerWaalsContact CZ-O 3.27Å; Y51-G53 PolarHBondContact OH-O 3.3Å; G53-T156 WeakPolarHBondContact CA-OG1 3.42Å; G53-T156 PolarHBondContact N-OG1 3.04Å
54S94.9Very high93.6Very high25 Ų2529 Ų2918%0.17516%0.164CC..  trans-105.7151.4175.8-64.20000111.4E153 T156S54-E153 PolarHBondContact O-N 3.28Å; S54-T156 PolarHBondContact O-OG1 3.14Å
55W97.3Very high93.6Very high3 Ų333.9 Ų33.91%0.01119%0.189CC..EExtended strand (participates in β ladder)trans-141.8161.9170.851.2-97.2000111.4L48 Y51 I57 L81 R82 N83 M85 V101 I107 G151 T156 L158L48-W55 HydrophobicContact CD1-CZ2 4.27Å; Y51-W55 AromaticContact CD2-CD1 3.49Å; Y51-W55 VanDerWaalsContact CD2-CD1 3.49Å; Y51-W55 AromaticContact CD2-NE1 3.46Å; Y51-W55 AromaticContact CE2-CD1 3.53Å; Y51-W55 AromaticContact CE2-NE1 3.43Å; W55-I57 HydrophobicContact CD2-CD1 4.4Å; W55-I57 HydrophobicContact CE3-CD1 3.67Å; W55-I57 HydrophobicContact CE3-CG1 3.93Å; W55-I57 HydrophobicContact CZ3-CD1 3.82Å; W55-I57 HydrophobicContact CZ3-CG1 4.31Å; W55-L81 HydrophobicContact CH2-CD2 4.36Å; W55-L81 HydrophobicContact CH2-CG 4.29Å; W55-L81 HydrophobicContact CZ3-CD2 4.36Å; W55-L81 HydrophobicContact CZ3-CG 4.07Å; W55-L81 WeakPolarHBondContact CZ3-O 3.33Å; W55-R82 WeakPolarHBondContact CH2-O 3.37Å; W55-R82 VanDerWaalsContact CZ3-C 3.42Å; W55-R82 WeakPolarHBondContact O-CA 3.46Å; W55-N83 HydrophobicContact CD2-CB 3.91Å; W55-N83 VanDerWaalsContact CE2-CA 3.49Å; W55-N83 HydrophobicContact CG-CB 4.07Å; W55-N83 VanDerWaalsContact CZ2-CA 3.4Å; W55-N83 HydrophobicContact CZ2-CB 3.95Å; W55-N83 PolarHBondContact O-N 2.87Å; W55-M85 HydrophobicContact CH2-SD 4.02Å; W55-M85 HydrophobicContact CZ2-SD 4.31Å; W55-V101 HydrophobicContact CH2-CG2 4.23Å; W55-V101 HydrophobicContact CZ2-CG2 3.6Å; W55-I107 HydrophobicContact CH2-CD1 3.52Å; W55-I107 HydrophobicContact CZ2-CD1 4.07Å; W55-I107 HydrophobicContact CZ3-CD1 3.95Å; W55-G151 VanDerWaalsContact CA-O 3.32Å; W55-G151 WeakPolarHBondContact CA-O 3.27Å; W55-G151 WeakPolarHBondContact CB-O 3.38Å; W55-T156 HydrophobicContact CB-CG2 4Å; W55-T156 HydrophobicContact CG-CG2 4.35Å; W55-L158 HydrophobicContact CB-CD1 4.07Å
56G97.8Very high93.6Very high0 Ų034.3 Ų34.30%019%0.192CC..EExtended strand (participates in β ladder)trans-143.1132.5174.600000109.7I69 L81 L150 G151G56-I69 VanDerWaalsContact N-CD1 3.26Å; G56-L81 CarbonylContact C-O 3.51Å; G56-L81 WeakPolarHBondContact CA-O 3.27Å; G56-L150 CarbonylContact O-C 3.53Å; G56-L150 WeakPolarHBondContact O-CA 3.5Å; G56-G151 PolarHBondContact N-O 3.31Å; G56-G151 VanDerWaalsContact N-O 3.09Å; G56-G151 PolarHBondContact O-N 2.92Å
57I98.4Very high93.6Very high0 Ų039 Ų390%022%0.217CC..EExtended strand (participates in β ladder)trans-133.5129.1-178.2-60.5160.1000108.2Y44 V46 L48 W55 I80 L81 I107 V109 L150 L158Y44-I57 HydrophobicContact CE2-CG2 3.96Å; V46-I57 HydrophobicContact CB-CD1 3.8Å; V46-I57 HydrophobicContact CB-CG1 4.41Å; V46-I57 HydrophobicContact CB-CG2 4.42Å; V46-I57 HydrophobicContact CG1-CD1 3.61Å; V46-I57 HydrophobicContact CG1-CG1 4.15Å; V46-I57 HydrophobicContact CG2-CD1 4.19Å; V46-I57 HydrophobicContact CG2-CG1 4.29Å; V46-I57 HydrophobicContact CG2-CG2 3.68Å; L48-I57 HydrophobicContact CD2-CD1 4.43Å; W55-I57 HydrophobicContact CD2-CD1 4.4Å; W55-I57 HydrophobicContact CE3-CD1 3.67Å; W55-I57 HydrophobicContact CE3-CG1 3.93Å; W55-I57 HydrophobicContact CZ3-CD1 3.82Å; W55-I57 HydrophobicContact CZ3-CG1 4.31Å; I57-I80 CarbonylContact O-C 3.54Å; I57-I80 WeakPolarHBondContact O-CA 3.34Å; I57-L81 PolarHBondContact N-O 2.65Å; I57-L81 PolarHBondContact O-N 2.93Å; I57-I107 HydrophobicContact CD1-CD1 3.91Å; I57-V109 HydrophobicContact CG2-CG2 3.7Å; I57-L150 HydrophobicContact CG1-CG 4.48Å; I57-L158 HydrophobicContact CD1-CD1 4.47Å; I57-L158 HydrophobicContact CG1-CD1 4.22Å
58G97.9Very high93.5Very high0 Ų037.2 Ų37.20%021%0.213CC..EExtended strand (participates in β ladder)trans169-138.417300000113.4Y44 W79 P148 V149Y44-G58 WeakPolarHBondContact OH-CA 3.37Å; Y44-G58 PolarHBondContact OH-N 2.94Å; Y44-G58 PolarHBondContact OH-O 2.83Å; G58-W79 CarbonylContact C-O 3.52Å; G58-W79 VanDerWaalsContact CA-O 3.31Å; G58-W79 WeakPolarHBondContact CA-O 3.42Å; G58-P148 CarbonylContact O-C 3.58Å; G58-P148 WeakPolarHBondContact O-CA 3.35Å; G58-V149 PolarHBondContact N-O 3.42Å; G58-V149 PolarHBondContact O-N 3.02Å
59L97.5Very high93.5Very high0 Ų037.1 Ų37.10%021%0.212CC..EExtended strand (participates in β ladder)trans-121.1143.7-175-56.2178.5000111I37 Y44 C78 W79 Y111 L116 I139 L146 Y147I37-L59 HydrophobicContact CD1-CD1 4.35Å; I37-L59 HydrophobicContact CD1-CD2 3.55Å; Y44-L59 HydrophobicContact CE1-CD2 4.3Å; L59-C78 WeakPolarHBondContact O-CA 3.28Å; L59-W79 PolarHBondContact N-O 3.01Å; L59-W79 PolarHBondContact O-N 3Å; L59-Y111 HydrophobicContact CD1-CD2 3.49Å; L59-Y111 VanDerWaalsContact CD1-CD2 3.49Å; L59-Y111 HydrophobicContact CD1-CE2 4.23Å; L59-Y111 HydrophobicContact CD1-CG 3.86Å; L59-L116 HydrophobicContact CD1-CD1 4Å; L59-L116 HydrophobicContact CG-CD1 4.31Å; L59-I139 HydrophobicContact CD1-CD1 3.9Å; L59-L146 HydrophobicContact CD1-CD1 3.93Å; L59-Y147 CarbonylContact C-O 3.53Å; L59-Y147 WeakPolarHBondContact CA-O 3.29Å
60C97.1Very high93.5Very high0 Ų039.3 Ų39.30%022%0.222CC..EExtended strand (participates in β ladder)trans-140.4172.5172.879.90000111.9T64 S77 C78 L146 Y147 V149C60-T64 HydrophobicContact CB-CG2 3.9Å; C60-T64 WeakPolarHBondContact CB-OG1 3.2Å; C60-S77 CarbonylContact C-O 3.56Å; C60-S77 VanDerWaalsContact CA-O 3.27Å; C60-S77 WeakPolarHBondContact CA-O 3.45Å; C60-C78 HydrophobicContact CB-CB 4.3Å; C60-L146 CarbonylContact O-C 3.55Å; C60-L146 WeakPolarHBondContact O-CA 3.24Å; C60-Y147 PolarHBondContact N-O 2.71Å; C60-Y147 PolarHBondContact O-N 2.97Å; C60-V149 HydrophobicContact CB-CB 4.12Å; C60-V149 HydrophobicContact CB-CG1 3.87Å
61T95.9Very high94Very high3 Ų337 Ų372%0.01821%0.213CC..  trans-97.4178.6168.971.80000111.3R32 N63 T64 S77 E144 L146R32-T61 PolarHBondContact NH1-O 3.07Å; T61-N63 PolarHBondContact O-N 3.43Å; T61-N63 PolarHBondContact OG1-N 3.5Å; T61-T64 PolarHBondContact N-OG1 2.85Å; T61-T64 PolarHBondContact O-N 2.85Å; T61-S77 PolarHBondContact N-O 3.38Å; T61-S77 WeakPolarHBondContact OG1-CB 3.4Å; T61-E144 HydrophobicContact CG2-CB 3.77Å; T61-E144 HydrophobicContact CG2-CG 4.33Å; T61-L146 HydrophobicContact CG2-CD2 4.11Å
62V95.3Very high95.1Very high73 Ų7332.3 Ų32.344%0.44219%0.194SC..THydrogen-bonded Turntrans-65.5-18.3177.373.30000113.3R32 Y147R32-V62 VanDerWaalsContact CZ-O 3.27Å; R32-V62 VanDerWaalsContact NH1-CA 3.32Å; R32-V62 PolarHBondContact NH1-O 3.29Å; R32-V62 PolarHBondContact NH2-O 3.49Å; R32-V62 VanDerWaalsContact NH2-O 3.1Å; V62-Y147 HydrophobicContact CB-CE2 4.23Å
63N92.7Very high96.2Very high124 Ų12429.5 Ų29.566%0.66317%0.165SC*.THydrogen-bonded Turntrans-94.1-7-175.8-63-40.3000113.5T61 L65T61-N63 PolarHBondContact O-N 3.43Å; T61-N63 PolarHBondContact OG1-N 3.5Å; N63-L65 PolarHBondContact O-N 2.86Å
64T95.1Very high96.6Very high7 Ų733 Ų334%0.04318%0.181CC..  trans-66.1132.4-176.1-62.90000112C60 T61 L66 L72 D75 S77 C78C60-T64 HydrophobicContact CB-CG2 3.9Å; C60-T64 WeakPolarHBondContact CB-OG1 3.2Å; T61-T64 PolarHBondContact N-OG1 2.85Å; T61-T64 PolarHBondContact O-N 2.85Å; T64-L66 HydrophobicContact CG2-CD2 4.2Å; T64-L66 PolarHBondContact O-N 2.95Å; T64-L72 HydrophobicContact CG2-CD2 3.64Å; T64-D75 WeakPolarHBondContact CA-OD2 3.27Å; T64-D75 HydrophobicContact CG2-CB 3.97Å; T64-D75 PolarHBondContact OG1-OD1 2.9Å; T64-S77 PolarHBondContact OG1-O 2.91Å; T64-C78 HydrophobicContact CG2-CB 4.04Å
65L95.7Very high96.5Very high106 Ų10633 Ų3356%0.55518%0.179SC*.  trans-72122.7174.9-69.2174.7000110.8N63 S71 D75N63-L65 PolarHBondContact O-N 2.86Å; L65-S71 WeakPolarHBondContact O-CB 3.49Å; L65-D75 PolarHBondContact N-OD2 2.88Å
66L97.8Very high96.1Very high11 Ų1135.7 Ų35.76%0.05820%0.199CC..  trans-98.60.1-172.2-57.8-175.5000114.1T11 A13 A30 R32 T64 S68 L72 V149T11-L66 WeakPolarHBondContact O-CD1 3.34Å; A13-L66 WeakPolarHBondContact CB-O 3.39Å; A30-L66 WeakPolarHBondContact CA-O 3.42Å; A30-L66 HydrophobicContact CB-CB 4.06Å; A30-L66 HydrophobicContact CB-CD2 4.23Å; A30-L66 VanDerWaalsContact CB-O 3.31Å; A30-L66 WeakPolarHBondContact CB-O 2.81Å; A30-L66 PolarHBondContact N-O 2.95Å; R32-L66 HydrophobicContact CG-CD1 4.18Å; T64-L66 HydrophobicContact CG2-CD2 4.2Å; T64-L66 PolarHBondContact O-N 2.95Å; L66-S68 PolarHBondContact O-N 2.88Å; L66-S68 VanDerWaalsContact O-N 3.12Å; L66-L72 HydrophobicContact CD2-CD2 3.77Å; L66-V149 HydrophobicContact CD2-CG2 3.98Å
67D96.5Very high95.7Very high100 Ų10036.4 Ų36.454%0.53520%0.204SC..SBendtrans-60.4-28.2-169-61.4-29.2000114.7G29G29-D67 WeakPolarHBondContact CA-O 3.41Å
68S96.5Very high95.6Very high27 Ų2736.4 Ų36.419%0.18920%0.204CC..  trans-157.2165.4-176.268.10000112.1L66 Q70 S71 L72 E153L66-S68 PolarHBondContact O-N 2.88Å; L66-S68 VanDerWaalsContact O-N 3.12Å; S68-Q70 PolarHBondContact O-N 3.23Å; S68-Q70 PolarHBondContact OG-N 2.81Å; S68-S71 WeakPolarHBondContact O-CB 3.45Å; S68-S71 PolarHBondContact O-N 3.03Å; S68-S71 PolarHBondContact OG-N 2.73Å; S68-S71 PolarHBondContact OG-OG 2.81Å; S68-L72 PolarHBondContact O-N 2.8Å; S68-E153 WeakPolarHBondContact CB-OE1 3.36Å
69I97Very high95.6Very high0 Ų036.7 Ų36.70%021%0.205CC..Hα-helixtrans-60.9-36.4169.4-66.6-60000110.9G56 S71 L72 T73 R82 E153G56-I69 VanDerWaalsContact N-CD1 3.26Å; I69-S71 VanDerWaalsContact C-N 3.31Å; I69-S71 PolarHBondContact O-N 2.85Å; I69-L72 HydrophobicContact CD1-CD1 4.31Å; I69-L72 PolarHBondContact O-N 3.09Å; I69-T73 WeakPolarHBondContact O-CB 3.36Å; I69-T73 PolarHBondContact O-N 3.02Å; I69-T73 PolarHBondContact O-OG1 3.44Å; I69-R82 HydrophobicContact CG2-CG 4.43Å; I69-R82 VanDerWaalsContact CG2-NE 3.32Å; I69-E153 WeakPolarHBondContact CB-OE1 3.45Å; I69-E153 HydrophobicContact CG1-CG 3.96Å; I69-E153 PolarHBondContact N-OE1 2.99Å
70Q96.7Very high95.6Very high103 Ų10336.7 Ų36.748%0.48121%0.205SC..Hα-helixtrans-63.6-38.8177.7-173.562.713.900111.6S68 T73 N74S68-Q70 PolarHBondContact O-N 3.23Å; S68-Q70 PolarHBondContact OG-N 2.81Å; Q70-T73 PolarHBondContact O-N 2.88Å; Q70-N74 PolarHBondContact NE2-ND2 2.93Å; Q70-N74 PolarHBondContact O-N 2.88Å; Q70-N74 VanDerWaalsContact O-N 3.15Å; Q70-N74 PolarHBondContact O-ND2 3.28Å
71S96.7Very high95.6Very high29 Ų2936.7 Ų36.720%0.20321%0.205CC..Hα-helixtrans-61.1-49.6174-58.30000110.6L65 S68 I69 T73 N74 D75L65-S71 WeakPolarHBondContact O-CB 3.49Å; S68-S71 WeakPolarHBondContact O-CB 3.45Å; S68-S71 PolarHBondContact O-N 3.03Å; S68-S71 PolarHBondContact OG-N 2.73Å; S68-S71 PolarHBondContact OG-OG 2.81Å; I69-S71 VanDerWaalsContact C-N 3.31Å; I69-S71 PolarHBondContact O-N 2.85Å; S71-T73 VanDerWaalsContact C-N 3.26Å; S71-T73 PolarHBondContact O-N 3.34Å; S71-N74 PolarHBondContact O-N 3.17Å; S71-D75 WeakPolarHBondContact O-CB 3.46Å; S71-D75 PolarHBondContact O-N 2.87Å
72L97.7Very high95.7Very high0 Ų038.2 Ų38.20%021%0.21CC..Hα-helixtrans-58.9-38176.7-60.3-175.4000112.7A30 T64 L66 S68 I69 C78 I80 V149A30-L72 HydrophobicContact CB-CD1 3.69Å; A30-L72 HydrophobicContact CB-CD2 4.06Å; A30-L72 HydrophobicContact CB-CG 4.08Å; T64-L72 HydrophobicContact CG2-CD2 3.64Å; L66-L72 HydrophobicContact CD2-CD2 3.77Å; S68-L72 PolarHBondContact O-N 2.8Å; I69-L72 HydrophobicContact CD1-CD1 4.31Å; I69-L72 PolarHBondContact O-N 3.09Å; L72-C78 WeakPolarHBondContact O-CB 3.43Å; L72-C78 PolarHBondContact O-SG 2.89Å; L72-I80 HydrophobicContact CB-CD1 3.7Å; L72-V149 HydrophobicContact CD1-CG2 4.23Å; L72-V149 HydrophobicContact CD2-CG2 4.07Å
73T97.1Very high95.7Very high1 Ų136.5 Ų36.51%0.00620%0.199CC..Hα-helixtrans-65.8-40.5-177.5-58.90000111.8I69 Q70 S71 R82 W88 G91I69-T73 WeakPolarHBondContact O-CB 3.36Å; I69-T73 PolarHBondContact O-N 3.02Å; I69-T73 PolarHBondContact O-OG1 3.44Å; Q70-T73 PolarHBondContact O-N 2.88Å; S71-T73 VanDerWaalsContact C-N 3.26Å; S71-T73 PolarHBondContact O-N 3.34Å; T73-R82 WeakPolarHBondContact OG1-CD 3.41Å; T73-R82 PolarHBondContact OG1-NH1 2.86Å; T73-W88 HydrophobicContact CG2-CB 3.94Å; T73-W88 HydrophobicContact CG2-CD2 3.57Å; T73-W88 HydrophobicContact CG2-CE3 3.39Å; T73-W88 HydrophobicContact CG2-CG 3.84Å; T73-W88 HydrophobicContact CG2-CZ3 4.05Å; T73-G91 WeakPolarHBondContact O-CA 3.39Å; T73-G91 PolarHBondContact O-N 3.33Å
74N96.3Very high95.8Very high80 Ų8033.6 Ų33.643%0.42818%0.183SC..Hα-helixtrans-89.8-16.4-175.9-63.2-41.4000113.4Q70 S71Q70-N74 PolarHBondContact NE2-ND2 2.93Å; Q70-N74 PolarHBondContact O-N 2.88Å; Q70-N74 VanDerWaalsContact O-N 3.15Å; Q70-N74 PolarHBondContact O-ND2 3.28Å; S71-N74 PolarHBondContact O-N 3.17Å
75D92.9Very high95.8Very high25 Ų2534 Ų3413%0.13418%0.184CC..  trans-61.7138.2-177.6-165.8-87.6000111.6T64 L65 S71 S77 C78 R90T64-D75 WeakPolarHBondContact CA-OD2 3.27Å; T64-D75 HydrophobicContact CG2-CB 3.97Å; T64-D75 PolarHBondContact OG1-OD1 2.9Å; L65-D75 PolarHBondContact N-OD2 2.88Å; S71-D75 WeakPolarHBondContact O-CB 3.46Å; S71-D75 PolarHBondContact O-N 2.87Å; D75-S77 VanDerWaalsContact C-N 3.26Å; D75-S77 PolarHBondContact O-N 3.02Å; D75-S77 WeakPolarHBondContact OD1-CA 3.33Å; D75-S77 PolarHBondContact OD1-N 2.89Å; D75-C78 HydrophobicContact CB-CB 3.77Å; D75-R90 PolarHBondContact O-N 3.12Å
76S89Confident95.8Very high60 Ų6032.4 Ų32.442%0.4217%0.173SC..THydrogen-bonded Turntrans-77.6-14.5-175.6570000114.4R90S76-R90 PolarHBondContact O-NE 2.86Å; S76-R90 PolarHBondContact O-NH2 2.9Å
77S90.9Very high95.7Very high15 Ų1531.9 Ų31.911%0.10517%0.171CC..THydrogen-bonded Turntrans-119.631.3-174.9-63.50000110.8C60 T61 T64 D75 W79C60-S77 CarbonylContact C-O 3.56Å; C60-S77 VanDerWaalsContact CA-O 3.27Å; C60-S77 WeakPolarHBondContact CA-O 3.45Å; T61-S77 PolarHBondContact N-O 3.38Å; T61-S77 WeakPolarHBondContact OG1-CB 3.4Å; T64-S77 PolarHBondContact OG1-O 2.91Å; D75-S77 VanDerWaalsContact C-N 3.26Å; D75-S77 PolarHBondContact O-N 3.02Å; D75-S77 WeakPolarHBondContact OD1-CA 3.33Å; D75-S77 PolarHBondContact OD1-N 2.89Å; S77-W79 WeakPolarHBondContact O-CZ3 3.42Å
78C95.8Very high95.7Very high0 Ų029.5 Ų29.50%015%0.154CC..EExtended strand (participates in β ladder)trans-134.4141.2-178.3-161.70000110.8L59 C60 T64 L72 D75 I80 S89L59-C78 WeakPolarHBondContact O-CA 3.28Å; C60-C78 HydrophobicContact CB-CB 4.3Å; T64-C78 HydrophobicContact CG2-CB 4.04Å; L72-C78 WeakPolarHBondContact O-CB 3.43Å; L72-C78 PolarHBondContact O-SG 2.89Å; D75-C78 HydrophobicContact CB-CB 3.77Å; C78-I80 VanDerWaalsContact SG-CG2 3.51Å; C78-S89 WeakPolarHBondContact O-CA 3.28Å; C78-S89 WeakPolarHBondContact O-CB 3.4Å; C78-S89 PolarHBondContact O-OG 2.9Å
79W96.7Very high95.7Very high6 Ų628.5 Ų28.52%0.02315%0.147CC..EExtended strand (participates in β ladder)trans-135.9105.4177.9-60.6-91.4000108.5G58 L59 S77 W88 S89 L116 I139 D140 L146G58-W79 CarbonylContact C-O 3.52Å; G58-W79 VanDerWaalsContact CA-O 3.31Å; G58-W79 WeakPolarHBondContact CA-O 3.42Å; L59-W79 PolarHBondContact N-O 3.01Å; L59-W79 PolarHBondContact O-N 3Å; S77-W79 WeakPolarHBondContact O-CZ3 3.42Å; W79-W88 WeakPolarHBondContact CA-O 3.4Å; W79-S89 PolarHBondContact NE1-OG 3.16Å; W79-S89 VanDerWaalsContact NE1-OG 3.16Å; W79-L116 HydrophobicContact CB-CD2 4.13Å; W79-I139 HydrophobicContact CB-CG2 4.13Å; W79-I139 VanDerWaalsContact CD1-CG2 3.45Å; W79-I139 HydrophobicContact CD2-CB 4.04Å; W79-I139 HydrophobicContact CD2-CD1 4.16Å; W79-I139 HydrophobicContact CD2-CG2 4.27Å; W79-I139 HydrophobicContact CE3-CD1 4.22Å; W79-I139 HydrophobicContact CG-CB 3.98Å; W79-I139 HydrophobicContact CG-CD1 4.41Å; W79-I139 HydrophobicContact CG-CG2 3.68Å; W79-D140 WeakPolarHBondContact CZ2-O 3.3Å; W79-L146 HydrophobicContact CE3-CD2 4.29Å; W79-L146 HydrophobicContact CZ3-CD2 3.65Å
80I97.4Very high95.5Very high0 Ų034.3 Ų34.30%017%0.169CC..EExtended strand (participates in β ladder)trans-127.9136.4-172.259.1165.9000112.1I57 L72 C78 R82 I87 W88 V149I57-I80 CarbonylContact O-C 3.54Å; I57-I80 WeakPolarHBondContact O-CA 3.34Å; L72-I80 HydrophobicContact CB-CD1 3.7Å; C78-I80 VanDerWaalsContact SG-CG2 3.51Å; I80-R82 HydrophobicContact CD1-CG 3.77Å; I80-R82 HydrophobicContact CG1-CG 4.22Å; I80-I87 CarbonylContact O-C 3.58Å; I80-I87 VanDerWaalsContact O-CA 3.27Å; I80-I87 WeakPolarHBondContact O-CA 3.26Å; I80-W88 HydrophobicContact CG1-CB 4.2Å; I80-W88 PolarHBondContact N-O 2.9Å; I80-W88 PolarHBondContact O-N 3.31Å; I80-V149 HydrophobicContact CG2-CG1 4.05Å
81L97.7Very high95.5Very high0 Ų030.5 Ų30.50%016%0.158CC..EExtended strand (participates in β ladder)trans-79.7129.4158.9178.167.9000108.2W55 G56 I57 M85 K86 I87 L97 I107 F118W55-L81 HydrophobicContact CH2-CD2 4.36Å; W55-L81 HydrophobicContact CH2-CG 4.29Å; W55-L81 HydrophobicContact CZ3-CD2 4.36Å; W55-L81 HydrophobicContact CZ3-CG 4.07Å; W55-L81 WeakPolarHBondContact CZ3-O 3.33Å; G56-L81 CarbonylContact C-O 3.51Å; G56-L81 WeakPolarHBondContact CA-O 3.27Å; I57-L81 PolarHBondContact N-O 2.65Å; I57-L81 PolarHBondContact O-N 2.93Å; L81-M85 HydrophobicContact CD2-CE 4.32Å; L81-K86 WeakPolarHBondContact CA-O 3.33Å; L81-I87 HydrophobicContact CD1-CG1 3.93Å; L81-L97 HydrophobicContact CD1-CD1 3.85Å; L81-L97 HydrophobicContact CD1-CG 4.05Å; L81-L97 HydrophobicContact CD2-CD1 3.74Å; L81-L97 HydrophobicContact CG-CD1 4.48Å; L81-I107 HydrophobicContact CD2-CD1 4.28Å; L81-I107 HydrophobicContact CD2-CG2 4.13Å; L81-F118 HydrophobicContact CB-CD1 4.25Å; L81-F118 HydrophobicContact CB-CE1 3.64Å; L81-F118 HydrophobicContact CB-CE2 4.42Å; L81-F118 HydrophobicContact CB-CZ 3.74Å; L81-F118 HydrophobicContact CD2-CD1 3.81Å; L81-F118 HydrophobicContact CD2-CE1 4.08Å; L81-F118 HydrophobicContact CD2-CG 4.18Å; L81-F118 HydrophobicContact CG-CE1 4.49Å
82R97.2Very high95.4Very high36 Ų3635.4 Ų35.414%0.13618%0.177CC..EExtended strand (participates in β ladder)trans-106.2171176.2-73.3-173.664.1173.7-2.7112W55 I69 T73 I80 D84 M85 K86W55-R82 WeakPolarHBondContact CH2-O 3.37Å; W55-R82 VanDerWaalsContact CZ3-C 3.42Å; W55-R82 WeakPolarHBondContact O-CA 3.46Å; I69-R82 HydrophobicContact CG2-CG 4.43Å; I69-R82 VanDerWaalsContact CG2-NE 3.32Å; T73-R82 WeakPolarHBondContact OG1-CD 3.41Å; T73-R82 PolarHBondContact OG1-NH1 2.86Å; I80-R82 HydrophobicContact CD1-CG 3.77Å; I80-R82 HydrophobicContact CG1-CG 4.22Å; R82-D84 WeakPolarHBondContact CB-OD1 3.43Å; R82-D84 PolarHBondContact O-N 2.74Å; R82-D84 VanDerWaalsContact O-N 3.13Å; R82-M85 WeakPolarHBondContact O-CA 3.29Å; R82-M85 PolarHBondContact O-N 2.97Å; R82-K86 PolarHBondContact N-O 2.82Å
83N95.2Very high95.3Very high37 Ų3738.4 Ų38.420%0.19820%0.195CC..THydrogen-bonded Turntrans-60.7-15.9176.367.3-76.2000115.3Y51 W55 M85Y51-N83 HydrophobicContact CE2-CB 3.73Å; Y51-N83 PolarHBondContact OH-ND2 3.45Å; W55-N83 HydrophobicContact CD2-CB 3.91Å; W55-N83 VanDerWaalsContact CE2-CA 3.49Å; W55-N83 HydrophobicContact CG-CB 4.07Å; W55-N83 VanDerWaalsContact CZ2-CA 3.4Å; W55-N83 HydrophobicContact CZ2-CB 3.95Å; W55-N83 PolarHBondContact O-N 2.87Å; N83-M85 PolarHBondContact O-N 3.36Å
84D94.9Very high95.1Very high62 Ų6240.6 Ų40.633%0.33221%0.206SC..THydrogen-bonded Turntrans-82.96.817069.6-12.3000112.9R82 K86 W88R82-D84 WeakPolarHBondContact CB-OD1 3.43Å; R82-D84 PolarHBondContact O-N 2.74Å; R82-D84 VanDerWaalsContact O-N 3.13Å; D84-K86 PolarHBondContact O-N 2.9Å; D84-K86 VanDerWaalsContact O-N 3.16Å; D84-K86 WeakPolarHBondContact OD1-CB 3.44Å; D84-K86 PolarHBondContact OD1-N 2.93Å; D84-K86 WeakPolarHBondContact OD2-CD 3.38Å; D84-W88 PolarHBondContact OD2-NE1 3.3Å
85M96Very high95Very high15 Ų1536.9 Ų36.97%0.07419%0.187CC..SBendtrans6116.9-177.4-55.1-53.1-66.500114.2W55 L81 R82 N83 Q96 L97 Q99 V101 I120W55-M85 HydrophobicContact CH2-SD 4.02Å; W55-M85 HydrophobicContact CZ2-SD 4.31Å; L81-M85 HydrophobicContact CD2-CE 4.32Å; R82-M85 WeakPolarHBondContact O-CA 3.29Å; R82-M85 PolarHBondContact O-N 2.97Å; N83-M85 PolarHBondContact O-N 3.36Å; M85-Q96 CarbonylContact O-C 3.6Å; M85-Q96 WeakPolarHBondContact O-CA 3.48Å; M85-L97 HydrophobicContact CB-CB 4.38Å; M85-L97 HydrophobicContact CE-CB 4.07Å; M85-L97 HydrophobicContact CE-CD1 3.74Å; M85-L97 HydrophobicContact CE-CG 4.4Å; M85-L97 PolarHBondContact O-N 2.84Å; M85-Q99 WeakPolarHBondContact CE-O 3.38Å; M85-Q99 WeakPolarHBondContact CG-O 3.41Å; M85-V101 HydrophobicContact CE-CG1 3.72Å; M85-V101 HydrophobicContact CE-CG2 4.38Å; M85-V101 HydrophobicContact SD-CB 4.47Å; M85-V101 HydrophobicContact SD-CG1 4.1Å; M85-V101 HydrophobicContact SD-CG2 3.64Å; M85-I120 HydrophobicContact CE-CD1 4.33Å
86K95.9Very high95.1Very high74 Ų7439.1 Ų39.132%0.32220%0.197SC..EExtended strand (participates in β ladder)trans-96.3148172.1-60.7-179.1-169.5162.70110.4L81 R82 D84 V93 Q96L81-K86 WeakPolarHBondContact CA-O 3.33Å; R82-K86 PolarHBondContact N-O 2.82Å; D84-K86 PolarHBondContact O-N 2.9Å; D84-K86 VanDerWaalsContact O-N 3.16Å; D84-K86 WeakPolarHBondContact OD1-CB 3.44Å; D84-K86 PolarHBondContact OD1-N 2.93Å; D84-K86 WeakPolarHBondContact OD2-CD 3.38Å; K86-V93 HydrophobicContact CB-CG1 4.08Å; K86-V93 HydrophobicContact CB-CG2 4.31Å; K86-V93 HydrophobicContact CD-CG1 4.16Å; K86-V93 HydrophobicContact CD-CG2 3.82Å; K86-V93 HydrophobicContact CG-CG1 4.32Å; K86-Q96 HydrophobicContact CG-CB 4.07Å
87I96.3Very high95.4Very high0 Ų036.7 Ų36.70%018%0.179CC..EExtended strand (participates in β ladder)trans-101.1122176.3-54.1164.7000107.3I80 L81 V93 I94 G95 F118 V127 L137I80-I87 CarbonylContact O-C 3.58Å; I80-I87 VanDerWaalsContact O-CA 3.27Å; I80-I87 WeakPolarHBondContact O-CA 3.26Å; L81-I87 HydrophobicContact CD1-CG1 3.93Å; I87-V93 CarbonylContact O-C 3.49Å; I87-V93 WeakPolarHBondContact O-CA 3.32Å; I87-I94 HydrophobicContact CB-CG1 4.22Å; I87-I94 HydrophobicContact CG2-CD1 4.02Å; I87-I94 HydrophobicContact CG2-CG1 3.84Å; I87-I94 WeakPolarHBondContact O-CG1 3.41Å; I87-I94 PolarHBondContact O-N 3.48Å; I87-G95 PolarHBondContact N-O 2.82Å; I87-G95 PolarHBondContact O-N 2.85Å; I87-F118 HydrophobicContact CD1-CD2 4.05Å; I87-F118 HydrophobicContact CD1-CE2 3.62Å; I87-F118 HydrophobicContact CG1-CE2 4.01Å; I87-V127 HydrophobicContact CD1-CB 4.46Å; I87-V127 HydrophobicContact CD1-CG1 3.77Å; I87-V127 HydrophobicContact CD1-CG2 3.8Å; I87-L137 HydrophobicContact CB-CD2 4.32Å; I87-L137 HydrophobicContact CD1-CD2 3.8Å; I87-L137 HydrophobicContact CG2-CD2 3.7Å
88W96.5Very high95.4Very high49 Ų4942.6 Ų42.619%0.18620%0.203CC..EExtended strand (participates in β ladder)trans-113143.3-174-68.882.2000111.4T73 W79 I80 D84 G91 H92 V93T73-W88 HydrophobicContact CG2-CB 3.94Å; T73-W88 HydrophobicContact CG2-CD2 3.57Å; T73-W88 HydrophobicContact CG2-CE3 3.39Å; T73-W88 HydrophobicContact CG2-CG 3.84Å; T73-W88 HydrophobicContact CG2-CZ3 4.05Å; W79-W88 WeakPolarHBondContact CA-O 3.4Å; I80-W88 HydrophobicContact CG1-CB 4.2Å; I80-W88 PolarHBondContact N-O 2.9Å; I80-W88 PolarHBondContact O-N 3.31Å; D84-W88 PolarHBondContact OD2-NE1 3.3Å; W88-G91 WeakPolarHBondContact CZ3-O 3.47Å; W88-H92 WeakPolarHBondContact CA-O 3.43Å; W88-V93 HydrophobicContact CD2-CG2 3.93Å; W88-V93 HydrophobicContact CE3-CG2 4.08Å; W88-V93 HydrophobicContact CH2-CG2 3.74Å; W88-V93 HydrophobicContact CZ2-CG2 3.56Å; W88-V93 HydrophobicContact CZ3-CG2 3.99Å
89S95.1Very high95.2Very high6 Ų645.7 Ų45.74%0.04222%0.217CC..EExtended strand (participates in β ladder)trans-155140.8166.9-173.20000109.7C78 W79 G91 H92C78-S89 WeakPolarHBondContact O-CA 3.28Å; C78-S89 WeakPolarHBondContact O-CB 3.4Å; C78-S89 PolarHBondContact O-OG 2.9Å; W79-S89 PolarHBondContact NE1-OG 3.16Å; W79-S89 VanDerWaalsContact NE1-OG 3.16Å; S89-G91 PolarHBondContact O-N 3.18Å; S89-G91 VanDerWaalsContact O-N 3.12Å; S89-H92 PolarHBondContact N-O 3.15Å; S89-H92 PolarHBondContact O-N 2.87Å; S89-H92 VanDerWaalsContact O-O 3.13Å
90R94.3Very high95Very high122 Ų12249.8 Ų49.846%0.4625%0.247SC..THydrogen-bonded Turntrans54.332.2178.9-62.6163-173.5-97.21.8112.9D75 S76 H92D75-R90 PolarHBondContact O-N 3.12Å; S76-R90 PolarHBondContact O-NE 2.86Å; S76-R90 PolarHBondContact O-NH2 2.9Å; R90-H92 PolarHBondContact O-CE1 3.03Å; R90-H92 PolarHBondContact O-N 2.9Å; R90-H92 PolarHBondContact O-ND1 3.29Å
91G95.3Very high94.9Very high24 Ų2451 Ų5125%0.24725%0.254CS..THydrogen-bonded Turntrans72.89-176.800000115.2T73 W88 S89T73-G91 WeakPolarHBondContact O-CA 3.39Å; T73-G91 PolarHBondContact O-N 3.33Å; W88-G91 WeakPolarHBondContact CZ3-O 3.47Å; S89-G91 PolarHBondContact O-N 3.18Å; S89-G91 VanDerWaalsContact O-N 3.12Å
92H95.1Very high94.8Very high132 Ų13257.7 Ų57.761%0.61129%0.286SS*.EExtended strand (participates in β ladder)trans-117.1146.8179.4-58.691.7000111.1W88 S89 R90 I94W88-H92 WeakPolarHBondContact CA-O 3.43Å; S89-H92 PolarHBondContact N-O 3.15Å; S89-H92 PolarHBondContact O-N 2.87Å; S89-H92 VanDerWaalsContact O-O 3.13Å; R90-H92 PolarHBondContact O-CE1 3.03Å; R90-H92 PolarHBondContact O-N 2.9Å; R90-H92 PolarHBondContact O-ND1 3.29Å; H92-I94 PolarHBondContact O-N 2.93Å
93V94.8Very high94.7Very high63 Ų6361.8 Ų61.838%0.38231%0.306SS..EExtended strand (participates in β ladder)trans-76.6118.2169177.70000108.1K86 I87 W88 G95K86-V93 HydrophobicContact CB-CG1 4.08Å; K86-V93 HydrophobicContact CB-CG2 4.31Å; K86-V93 HydrophobicContact CD-CG1 4.16Å; K86-V93 HydrophobicContact CD-CG2 3.82Å; K86-V93 HydrophobicContact CG-CG1 4.32Å; I87-V93 CarbonylContact O-C 3.49Å; I87-V93 WeakPolarHBondContact O-CA 3.32Å; W88-V93 HydrophobicContact CD2-CG2 3.93Å; W88-V93 HydrophobicContact CE3-CG2 4.08Å; W88-V93 HydrophobicContact CH2-CG2 3.74Å; W88-V93 HydrophobicContact CZ2-CG2 3.56Å; W88-V93 HydrophobicContact CZ3-CG2 3.99Å; V93-G95 WeakPolarHBondContact CG1-O 3.43Å
94I93.6Very high94.7Very high46 Ų4661.7 Ų61.724%0.23631%0.314CS..EExtended strand (participates in β ladder)trans-103.9-10.5178.961.4169.7000112.6I87 H92 L137I87-I94 HydrophobicContact CB-CG1 4.22Å; I87-I94 HydrophobicContact CG2-CD1 4.02Å; I87-I94 HydrophobicContact CG2-CG1 3.84Å; I87-I94 WeakPolarHBondContact O-CG1 3.41Å; I87-I94 PolarHBondContact O-N 3.48Å; H92-I94 PolarHBondContact O-N 2.93Å; I94-L137 HydrophobicContact CD1-CD1 4.29Å; I94-L137 HydrophobicContact CD1-CD2 3.88Å; I94-L137 HydrophobicContact CD1-CG 4.47Å; I94-L137 HydrophobicContact CG1-CD1 4.4Å; I94-L137 HydrophobicContact CG1-CD2 4.21Å
95G94.5Very high94.8Very high2 Ų260.2 Ų60.22%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-174.7172.5174.900000111.3I87 V93 Y128I87-G95 PolarHBondContact N-O 2.82Å; I87-G95 PolarHBondContact O-N 2.85Å; V93-G95 WeakPolarHBondContact CG1-O 3.43Å; G95-Y128 CarbonylContact C-O 3.48Å; G95-Y128 VanDerWaalsContact CA-O 3.27Å; G95-Y128 WeakPolarHBondContact CA-O 3.31Å
96Q95.3Very high94.9Very high72 Ų7259.7 Ų59.734%0.33630%0.304SS..EExtended strand (participates in β ladder)trans-149.8149.417466.4-175.4200111.1M85 K86 Y128M85-Q96 CarbonylContact O-C 3.6Å; M85-Q96 WeakPolarHBondContact O-CA 3.48Å; K86-Q96 HydrophobicContact CG-CB 4.07Å; Q96-Y128 PolarHBondContact N-O 3.06Å; Q96-Y128 PolarHBondContact O-N 3.33Å
97L94.9Very high95Very high9 Ų956.2 Ų56.25%0.04729%0.288CS..EExtended strand (participates in β ladder)trans-91.6149.1169.1-51.4-176.5000108.9L81 M85 F118 A125 V127L81-L97 HydrophobicContact CD1-CD1 3.85Å; L81-L97 HydrophobicContact CD1-CG 4.05Å; L81-L97 HydrophobicContact CD2-CD1 3.74Å; L81-L97 HydrophobicContact CG-CD1 4.48Å; M85-L97 HydrophobicContact CB-CB 4.38Å; M85-L97 HydrophobicContact CE-CB 4.07Å; M85-L97 HydrophobicContact CE-CD1 3.74Å; M85-L97 HydrophobicContact CE-CG 4.4Å; M85-L97 PolarHBondContact O-N 2.84Å; L97-F118 HydrophobicContact CD1-CB 4.03Å; L97-F118 HydrophobicContact CD1-CG 4.38Å; L97-A125 HydrophobicContact CD1-CB 3.81Å; L97-A125 HydrophobicContact CD2-CB 3.85Å; L97-A125 HydrophobicContact CG-CB 4.34Å; L97-V127 HydrophobicContact CD2-CB 4.39Å; L97-V127 HydrophobicContact CD2-CG2 3.62Å
98K91.5Very high95Very high140 Ų14056.2 Ų56.261%0.60929%0.288SS*.SBendtrans-89.3-23.8174.9-74.1-177.6-179.1169.30112.6Y128K98-Y128 HydrophobicContact CB-CE2 4.42Å; K98-Y128 HydrophobicContact CD-CD2 4.03Å; K98-Y128 HydrophobicContact CD-CE1 4.31Å; K98-Y128 HydrophobicContact CD-CE2 3.53Å; K98-Y128 VanDerWaalsContact CE-CZ 3.4Å; K98-Y128 HydrophobicContact CG-CD2 3.82Å; K98-Y128 HydrophobicContact CG-CE2 3.7Å; K98-Y128 VanDerWaalsContact NZ-CZ 3.27Å; K98-Y128 PolarHBondContact NZ-OH 3Å
99Q91.3Very high94.9Very high64 Ų6453.9 Ų53.930%0.29928%0.28SS..  trans-67.7138.7176.4-64.183.5-14.900109.6M85 I120M85-Q99 WeakPolarHBondContact CE-O 3.38Å; M85-Q99 WeakPolarHBondContact CG-O 3.41Å; Q99-I120 HydrophobicContact CB-CG1 4.45Å
100S92.9Very high94.9Very high92 Ų9254.1 Ų54.164%0.64328%0.281SS*.  trans-86.2162.6161.654.30000110
101V95Very high94.8Very high26 Ų2649.8 Ų49.816%0.15826%0.264CS..  trans-129.4148.6172.4-62.80000109.9L48 W55 M85 D105 I107 I120L48-V101 HydrophobicContact CD1-CB 3.84Å; L48-V101 HydrophobicContact CD1-CG2 3.56Å; W55-V101 HydrophobicContact CH2-CG2 4.23Å; W55-V101 HydrophobicContact CZ2-CG2 3.6Å; M85-V101 HydrophobicContact CE-CG1 3.72Å; M85-V101 HydrophobicContact CE-CG2 4.38Å; M85-V101 HydrophobicContact SD-CB 4.47Å; M85-V101 HydrophobicContact SD-CG1 4.1Å; M85-V101 HydrophobicContact SD-CG2 3.64Å; V101-D105 VanDerWaalsContact CA-OD2 3.28Å; V101-D105 WeakPolarHBondContact CA-OD2 3.3Å; V101-D105 HydrophobicContact CB-CB 4.36Å; V101-I107 HydrophobicContact CG1-CD1 4.35Å; V101-I107 HydrophobicContact CG1-CG1 4.45Å; V101-I120 HydrophobicContact CG1-CD1 3.55Å; V101-I120 HydrophobicContact CG1-CG1 4.18Å; V101-I120 HydrophobicContact CG1-CG2 3.97Å
102E94.2Very high94.6Very high141 Ų14150.5 Ų50.566%0.65926%0.262SS*.  trans-124.7171.1179.6-62.8-172.5169.700111.3G104 D105E102-G104 PolarHBondContact O-N 3.23Å; E102-D105 PolarHBondContact N-OD2 2.95Å; E102-D105 VanDerWaalsContact O-CB 3.32Å; E102-D105 WeakPolarHBondContact O-CB 3.29Å; E102-D105 PolarHBondContact O-N 3.47Å; E102-D105 VanDerWaalsContact O-N 3.15Å
103E95.1Very high94.2Very high121 Ų12150.4 Ų50.457%0.56526%0.26SS*.THydrogen-bonded Turntrans-57134171.3-174.4178.7135.800110.5Q49Q49-E103 VanDerWaalsContact O-CD 3.28Å; Q49-E103 WeakPolarHBondContact O-CG 3.24Å
104G96.1Very high94Very high35 Ų3548 Ų4836%0.36125%0.248SC..THydrogen-bonded Turntrans98.4-21.7-17600000113.9K47 L48 E102K47-G104 WeakPolarHBondContact CE-O 3.33Å; L48-G104 WeakPolarHBondContact O-CA 3.36Å; L48-G104 PolarHBondContact O-N 3.31Å; E102-G104 PolarHBondContact O-N 3.23Å
105D97.2Very high93.8Very high32 Ų3248.9 Ų48.917%0.17125%0.25CS..  trans-66.8152.8179.8-74.4-20.4000112.5K47 L48 V101 E102 N121K47-D105 WeakPolarHBondContact CA-O 3.22Å; L48-D105 PolarHBondContact N-O 2.91Å; V101-D105 VanDerWaalsContact CA-OD2 3.28Å; V101-D105 WeakPolarHBondContact CA-OD2 3.3Å; V101-D105 HydrophobicContact CB-CB 4.36Å; E102-D105 PolarHBondContact N-OD2 2.95Å; E102-D105 VanDerWaalsContact O-CB 3.32Å; E102-D105 WeakPolarHBondContact O-CB 3.29Å; E102-D105 PolarHBondContact O-N 3.47Å; E102-D105 VanDerWaalsContact O-N 3.15Å; D105-N121 WeakPolarHBondContact CA-OD1 3.43Å; D105-N121 PolarHBondContact OD1-ND2 3.28Å
106V97.7Very high93.8Very high4 Ų448.8 Ų48.82%0.02425%0.249CC..EExtended strand (participates in β ladder)trans-115.5121.4177.7-178.70000109.9E45 V46 K47 I120 N121 N168 Y169E45-V106 HydrophobicContact CB-CG1 3.85Å; E45-V106 HydrophobicContact CG-CG1 3.93Å; V46-V106 CarbonylContact O-C 3.04Å; V46-V106 WeakPolarHBondContact O-CA 3.43Å; K47-V106 HydrophobicContact CB-CG2 4.18Å; K47-V106 HydrophobicContact CD-CG2 4.38Å; K47-V106 HydrophobicContact CG-CG2 4.18Å; V106-I120 WeakPolarHBondContact O-CA 3.44Å; V106-N121 PolarHBondContact N-OD1 2.97Å; V106-N121 PolarHBondContact O-N 3.15Å; V106-N168 HydrophobicContact CG2-CB 4.28Å; V106-Y169 HydrophobicContact CB-CD2 4Å; V106-Y169 HydrophobicContact CB-CE2 3.74Å; V106-Y169 HydrophobicContact CG1-CD2 4.04Å; V106-Y169 HydrophobicContact CG1-CE2 4.28Å; V106-Y169 HydrophobicContact CG2-CD2 4.46Å; V106-Y169 HydrophobicContact CG2-CE2 3.92Å
107I97.3Very high93.7Very high0 Ų048.3 Ų48.30%024%0.244CC..EExtended strand (participates in β ladder)trans-97.2114.3172.8-55.6-178.8000108E45 V46 L48 W55 I57 L81 V101 V109 F118 T119 I120E45-I107 CarbonylContact C-O 3.57Å; E45-I107 WeakPolarHBondContact CA-O 3.48Å; V46-I107 PolarHBondContact N-O 3.2Å; V46-I107 PolarHBondContact O-N 3.3Å; L48-I107 HydrophobicContact CD1-CD1 4.41Å; L48-I107 HydrophobicContact CD2-CD1 4.27Å; W55-I107 HydrophobicContact CH2-CD1 3.52Å; W55-I107 HydrophobicContact CZ2-CD1 4.07Å; W55-I107 HydrophobicContact CZ3-CD1 3.95Å; I57-I107 HydrophobicContact CD1-CD1 3.91Å; L81-I107 HydrophobicContact CD2-CD1 4.28Å; L81-I107 HydrophobicContact CD2-CG2 4.13Å; V101-I107 HydrophobicContact CG1-CD1 4.35Å; V101-I107 HydrophobicContact CG1-CG1 4.45Å; I107-V109 HydrophobicContact CG2-CG2 4.45Å; I107-F118 HydrophobicContact CG2-CD1 4.14Å; I107-T119 CarbonylContact C-O 3.42Å; I107-T119 VanDerWaalsContact CA-O 3.29Å; I107-T119 WeakPolarHBondContact CA-O 3.31Å; I107-I120 HydrophobicContact CB-CD1 4.39Å; I107-I120 HydrophobicContact CD1-CD1 4.38Å; I107-I120 HydrophobicContact CG1-CD1 3.78Å; I107-I120 HydrophobicContact CG2-CD1 4.28Å
108G96.3Very high93.6Very high0 Ų047.9 Ų47.90%024%0.242CC..EExtended strand (participates in β ladder)trans-87.6138.4167.900000110.4F118 T119G108-F118 CarbonylContact O-C 3.54Å; G108-F118 VanDerWaalsContact O-CA 3.24Å; G108-F118 WeakPolarHBondContact O-CA 3.37Å; G108-T119 VanDerWaalsContact CA-OG1 3.24Å; G108-T119 WeakPolarHBondContact CA-OG1 3.32Å; G108-T119 PolarHBondContact N-O 3.31Å; G108-T119 PolarHBondContact N-OG1 3.01Å; G108-T119 PolarHBondContact O-N 3.32Å
109V95.9Very high93.8Very high1 Ų141.5 Ų41.51%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-117.8123.4176.8-1770000108.5Y43 Y44 I57 I107 L116 F118Y43-V109 VanDerWaalsContact CA-O 3.29Å; Y43-V109 WeakPolarHBondContact CA-O 3.5Å; Y43-V109 WeakPolarHBondContact CD2-O 3.41Å; Y44-V109 HydrophobicContact CD1-CB 3.92Å; Y44-V109 HydrophobicContact CD1-CG1 4.37Å; Y44-V109 HydrophobicContact CE1-CB 3.41Å; Y44-V109 VanDerWaalsContact CE1-CB 3.41Å; Y44-V109 HydrophobicContact CE1-CG1 3.53Å; Y44-V109 HydrophobicContact CE1-CG2 4.02Å; Y44-V109 HydrophobicContact CE2-CB 4.12Å; Y44-V109 HydrophobicContact CE2-CG2 3.88Å; Y44-V109 HydrophobicContact CG-CB 4.47Å; Y44-V109 PolarHBondContact N-O 3.31Å; Y44-V109 PolarHBondContact O-N 2.98Å; I57-V109 HydrophobicContact CG2-CG2 3.7Å; I107-V109 HydrophobicContact CG2-CG2 4.45Å; V109-L116 HydrophobicContact CG1-CD1 3.75Å; V109-F118 HydrophobicContact CG1-CE1 4.19Å; V109-F118 HydrophobicContact CG2-CD1 3.99Å; V109-F118 HydrophobicContact CG2-CE1 3.94Å
110I93.8Very high94Very high11 Ų1139.2 Ų39.26%0.05620%0.204CC..EExtended strand (participates in β ladder)trans-116124-178-57.7160.9000108.4Y41 A42 Y43 L116 R117 T119Y41-I110 HydrophobicContact CE2-CG2 3.67Å; A42-I110 WeakPolarHBondContact O-CA 3.39Å; Y43-I110 HydrophobicContact CD2-CG1 3.55Å; Y43-I110 HydrophobicContact CE2-CG1 4.09Å; I110-L116 WeakPolarHBondContact O-CA 3.38Å; I110-R117 HydrophobicContact CB-CB 4.21Å; I110-R117 PolarHBondContact N-O 3.12Å; I110-R117 PolarHBondContact O-N 3.17Å; I110-T119 HydrophobicContact CD1-CG2 3.86Å
111Y92.4Very high94.1Very high31 Ų3137.2 Ų37.212%0.12219%0.187CC..EExtended strand (participates in β ladder)trans-114.7126.7169.7176.4-102.1000109.8I37 Y41 A42 L59 G114 K115 I139 L146I37-Y111 HydrophobicContact CD1-CD1 4.16Å; I37-Y111 HydrophobicContact CD1-CG 4.31Å; I37-Y111 HydrophobicContact CG2-CD1 3.87Å; I37-Y111 HydrophobicContact CG2-CE1 4.15Å; Y41-Y111 CarbonylContact C-O 3.59Å; Y41-Y111 VanDerWaalsContact CA-O 3.31Å; Y41-Y111 WeakPolarHBondContact CA-O 3.16Å; A42-Y111 PolarHBondContact N-O 3.39Å; A42-Y111 PolarHBondContact O-N 2.93Å; L59-Y111 HydrophobicContact CD1-CD2 3.49Å; L59-Y111 VanDerWaalsContact CD1-CD2 3.49Å; L59-Y111 HydrophobicContact CD1-CE2 4.23Å; L59-Y111 HydrophobicContact CD1-CG 3.86Å; Y111-G114 PolarHBondContact OH-N 2.78Å; Y111-K115 WeakPolarHBondContact CA-O 3.31Å; Y111-I139 HydrophobicContact CD2-CD1 4.1Å; Y111-I139 HydrophobicContact CE2-CD1 3.84Å; Y111-I139 HydrophobicContact CE2-CG1 4.27Å; Y111-L146 HydrophobicContact CD2-CD1 4.22Å; Y111-L146 HydrophobicContact CE1-CD1 4.44Å; Y111-L146 HydrophobicContact CE2-CD1 3.58Å
112D90.7Very high94.1Very high38 Ų3836.8 Ų36.820%0.20319%0.187CC..EExtended strand (participates in β ladder)trans-141.398.8178.8168.933.4000109.9D40 Y41 G114 K115 R117D40-D112 VanDerWaalsContact O-CA 3.32Å; D40-D112 WeakPolarHBondContact O-CA 3.32Å; Y41-D112 HydrophobicContact CD2-CB 4.13Å; D112-G114 PolarHBondContact O-N 3.4Å; D112-K115 PolarHBondContact N-O 2.84Å; D112-K115 WeakPolarHBondContact O-CB 3.45Å; D112-K115 WeakPolarHBondContact O-CG 3.37Å; D112-K115 PolarHBondContact O-N 2.59Å; D112-R117 IonicContact OD2-NH1 2.67Å
113K87.9Confident94Very high131 Ų13136 Ų3657%0.5719%0.187SC*.THydrogen-bonded Turntrans48.355174.5-60.7179.3179-174.40114D40 K115D40-K113 VanDerWaalsContact CB-CE 3.48Å; D40-K113 HydrophobicContact CB-CG 4.09Å; D40-K113 PolarHBondContact O-N 3.12Å; D40-K113 WeakPolarHBondContact OD2-CE 3.34Å; D40-K113 IonicContact OD2-NZ 3.02Å; D40-K113 PolarHBondContact OD2-NZ 2.87Å; K113-K115 VanDerWaalsContact C-N 3.29Å; K113-K115 PolarHBondContact O-N 3.2Å
114G89.6Confident93.8Very high11 Ų1132.9 Ų32.911%0.11318%0.176CC..THydrogen-bonded Turntrans820.4-178.500000114.6Y111 D112 F138 I139Y111-G114 PolarHBondContact OH-N 2.78Å; D112-G114 PolarHBondContact O-N 3.4Å; G114-F138 WeakPolarHBondContact O-CA 3.36Å; G114-I139 WeakPolarHBondContact O-CG1 3.41Å; G114-I139 PolarHBondContact O-N 2.9Å
115K91.1Very high93.6Very high66 Ų6631.4 Ų31.429%0.28716%0.161SC..EExtended strand (participates in β ladder)trans-98.8121174.7-59165.7180173.30109.6Y111 D112 K113 P136 L137 F138Y111-K115 WeakPolarHBondContact CA-O 3.31Å; D112-K115 PolarHBondContact N-O 2.84Å; D112-K115 WeakPolarHBondContact O-CB 3.45Å; D112-K115 WeakPolarHBondContact O-CG 3.37Å; D112-K115 PolarHBondContact O-N 2.59Å; K113-K115 VanDerWaalsContact C-N 3.29Å; K113-K115 PolarHBondContact O-N 3.2Å; K115-P136 HydrophobicContact CB-CB 3.82Å; K115-P136 HydrophobicContact CB-CG 4.08Å; K115-P136 HydrophobicContact CD-CB 4.3Å; K115-P136 HydrophobicContact CD-CG 3.77Å; K115-P136 HydrophobicContact CG-CB 3.98Å; K115-P136 HydrophobicContact CG-CG 3.65Å; K115-L137 WeakPolarHBondContact CA-O 3.27Å; K115-F138 HydrophobicContact CD-CE1 4.39Å; K115-F138 HydrophobicContact CG-CD1 4.05Å; K115-F138 HydrophobicContact CG-CE1 3.79Å; K115-F138 HydrophobicContact CG-CZ 4.43Å
116L92.8Very high93.3Very high0 Ų033.4 Ų33.40%017%0.169CC..EExtended strand (participates in β ladder)trans-102.9130.2175-173.161.4000109.4L59 W79 V109 I110 F118 L137 I139L59-L116 HydrophobicContact CD1-CD1 4Å; L59-L116 HydrophobicContact CG-CD1 4.31Å; W79-L116 HydrophobicContact CB-CD2 4.13Å; V109-L116 HydrophobicContact CG1-CD1 3.75Å; I110-L116 WeakPolarHBondContact O-CA 3.38Å; L116-F118 HydrophobicContact CD1-CZ 4.33Å; L116-F118 HydrophobicContact CD2-CE2 4.01Å; L116-F118 HydrophobicContact CD2-CZ 3.79Å; L116-F118 HydrophobicContact CG-CE2 3.89Å; L116-F118 HydrophobicContact CG-CZ 3.9Å; L116-L137 PolarHBondContact N-O 3.47Å; L116-I139 HydrophobicContact CB-CG2 3.87Å; L116-I139 HydrophobicContact CD2-CG2 4.04Å
117R93Very high93Very high61 Ų6133.4 Ų33.423%0.2317%0.169CC..EExtended strand (participates in β ladder)trans-137158.4175.1-55179.2-175.991.5-9110.3I110 D112 P136I110-R117 HydrophobicContact CB-CB 4.21Å; I110-R117 PolarHBondContact N-O 3.12Å; I110-R117 PolarHBondContact O-N 3.17Å; D112-R117 IonicContact OD2-NH1 2.67Å; R117-P136 HydrophobicContact CG-CB 4.39Å
118F94.5Very high92.7Very high0 Ų035 Ų350%018%0.175CC..EExtended strand (participates in β ladder)trans-125.1147.4178.6-60.7-86.2000110.2L81 I87 L97 I107 G108 V109 L116 A125L81-F118 HydrophobicContact CB-CD1 4.25Å; L81-F118 HydrophobicContact CB-CE1 3.64Å; L81-F118 HydrophobicContact CB-CE2 4.42Å; L81-F118 HydrophobicContact CB-CZ 3.74Å; L81-F118 HydrophobicContact CD2-CD1 3.81Å; L81-F118 HydrophobicContact CD2-CE1 4.08Å; L81-F118 HydrophobicContact CD2-CG 4.18Å; L81-F118 HydrophobicContact CG-CE1 4.49Å; I87-F118 HydrophobicContact CD1-CD2 4.05Å; I87-F118 HydrophobicContact CD1-CE2 3.62Å; I87-F118 HydrophobicContact CG1-CE2 4.01Å; L97-F118 HydrophobicContact CD1-CB 4.03Å; L97-F118 HydrophobicContact CD1-CG 4.38Å; I107-F118 HydrophobicContact CG2-CD1 4.14Å; G108-F118 CarbonylContact O-C 3.54Å; G108-F118 VanDerWaalsContact O-CA 3.24Å; G108-F118 WeakPolarHBondContact O-CA 3.37Å; V109-F118 HydrophobicContact CG1-CE1 4.19Å; V109-F118 HydrophobicContact CG2-CD1 3.99Å; V109-F118 HydrophobicContact CG2-CE1 3.94Å; L116-F118 HydrophobicContact CD1-CZ 4.33Å; L116-F118 HydrophobicContact CD2-CE2 4.01Å; L116-F118 HydrophobicContact CD2-CZ 3.79Å; L116-F118 HydrophobicContact CG-CE2 3.89Å; L116-F118 HydrophobicContact CG-CZ 3.9Å; F118-A125 HydrophobicContact CB-CB 4.24Å; F118-A125 WeakPolarHBondContact O-CB 3.45Å; F118-A125 PolarHBondContact O-N 3.38Å
119T94.8Very high92.2Very high6 Ų636.1 Ų36.14%0.03718%0.183CC..EExtended strand (participates in β ladder)trans-119.5145.5165.364.10000109I107 G108 I110 D123I107-T119 CarbonylContact C-O 3.42Å; I107-T119 VanDerWaalsContact CA-O 3.29Å; I107-T119 WeakPolarHBondContact CA-O 3.31Å; G108-T119 VanDerWaalsContact CA-OG1 3.24Å; G108-T119 WeakPolarHBondContact CA-OG1 3.32Å; G108-T119 PolarHBondContact N-O 3.31Å; G108-T119 PolarHBondContact N-OG1 3.01Å; G108-T119 PolarHBondContact O-N 3.32Å; I110-T119 HydrophobicContact CD1-CG2 3.86Å; T119-D123 CarbonylContact C-O 3.43Å; T119-D123 WeakPolarHBondContact CA-O 3.34Å; T119-D123 VanDerWaalsContact CB-O 3.3Å; T119-D123 WeakPolarHBondContact CB-O 3.43Å
120I95.7Very high91.5Very high16 Ų1644.7 Ų44.78%0.08222%0.223CC..EExtended strand (participates in β ladder)trans-116.3119.1170.2-55.6-56.8000106.6M85 Q99 V101 V106 I107 G122 D123 A125M85-I120 HydrophobicContact CE-CD1 4.33Å; Q99-I120 HydrophobicContact CB-CG1 4.45Å; V101-I120 HydrophobicContact CG1-CD1 3.55Å; V101-I120 HydrophobicContact CG1-CG1 4.18Å; V101-I120 HydrophobicContact CG1-CG2 3.97Å; V106-I120 WeakPolarHBondContact O-CA 3.44Å; I107-I120 HydrophobicContact CB-CD1 4.39Å; I107-I120 HydrophobicContact CD1-CD1 4.38Å; I107-I120 HydrophobicContact CG1-CD1 3.78Å; I107-I120 HydrophobicContact CG2-CD1 4.28Å; I120-G122 PolarHBondContact O-N 2.97Å; I120-D123 PolarHBondContact N-O 3.31Å; I120-D123 PolarHBondContact O-N 3.31Å; I120-A125 HydrophobicContact CG1-CB 4.17Å
121N95.8Very high90.5Very high51 Ų5152.7 Ų52.727%0.27326%0.26SS..THydrogen-bonded Turntrans51.438.6-177.6-63.2-33.6000113.6D105 V106 D123 Y169D105-N121 WeakPolarHBondContact CA-OD1 3.43Å; D105-N121 PolarHBondContact OD1-ND2 3.28Å; V106-N121 PolarHBondContact N-OD1 2.97Å; V106-N121 PolarHBondContact O-N 3.15Å; N121-D123 VanDerWaalsContact C-N 3.27Å; N121-D123 PolarHBondContact O-N 3.38Å; N121-Y169 VanDerWaalsContact CA-CE2 3.48Å; N121-Y169 HydrophobicContact CB-CE2 4.19Å; N121-Y169 WeakPolarHBondContact O-CD1 3.32Å; N121-Y169 WeakPolarHBondContact O-CE1 3.19Å
122G93.1Very high89.9Confident16 Ų1655.1 Ų55.117%0.16528%0.279CS..THydrogen-bonded Turntrans85.8-17.5-179.400000115.1I120I120-G122 PolarHBondContact O-N 2.97Å
123D92.8Very high89.4Confident125 Ų12558.3 Ų58.367%0.66829%0.292SS*.EExtended strand (participates in β ladder)trans-83.8137.8177.9-69.8-37.1000111.3T119 I120 N121 A125T119-D123 CarbonylContact C-O 3.43Å; T119-D123 WeakPolarHBondContact CA-O 3.34Å; T119-D123 VanDerWaalsContact CB-O 3.3Å; T119-D123 WeakPolarHBondContact CB-O 3.43Å; I120-D123 PolarHBondContact N-O 3.31Å; I120-D123 PolarHBondContact O-N 3.31Å; N121-D123 VanDerWaalsContact C-N 3.27Å; N121-D123 PolarHBondContact O-N 3.38Å; D123-A125 PolarHBondContact O-N 3.19Å
124T91.4Very high88.6Confident55 Ų5555.4 Ų55.434%0.33728%0.281SS..EExtended strand (participates in β ladder)trans-64.9125.3178.8-64.80000110.7L172T124-L172 WeakPolarHBondContact OG1-CD1 3.2Å
125A92.1Very high87.5Confident4 Ų458.7 Ų58.73%0.03330%0.295CS..EExtended strand (participates in β ladder)trans-87.5125.2174.600000110.2L97 F118 I120 D123L97-A125 HydrophobicContact CD1-CB 3.81Å; L97-A125 HydrophobicContact CD2-CB 3.85Å; L97-A125 HydrophobicContact CG-CB 4.34Å; F118-A125 HydrophobicContact CB-CB 4.24Å; F118-A125 WeakPolarHBondContact O-CB 3.45Å; F118-A125 PolarHBondContact O-N 3.38Å; I120-A125 HydrophobicContact CG1-CB 4.17Å; D123-A125 PolarHBondContact O-N 3.19Å
126H90.5Very high86.5Confident74 Ų7456.8 Ų56.834%0.34329%0.289SS..PPolyproline II helixtrans-78.6126178.4-63.3-95.9000109.8Y128 E133 I135H126-Y128 HydrophobicContact CB-CD2 4.45Å; H126-Y128 HydrophobicContact CB-CE2 3.6Å; H126-Y128 WeakPolarHBondContact O-CD2 3.3Å; H126-Y128 WeakPolarHBondContact O-CE2 3.49Å; H126-E133 IonicContact CE1-OE1 3.07Å; H126-E133 IonicContact CG-OE1 2.85Å; H126-E133 IonicContact ND1-OE1 3.96Å; H126-E133 PolarHBondContact ND1-OE1 3.05Å; H126-I135 HydrophobicContact CB-CD1 3.99Å; H126-I135 WeakPolarHBondContact ND1-CD1 3.33Å
127V91.2Very high86.2Confident4 Ų457.1 Ų57.12%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-90.6136.2176.2179.60000109I87 L97 Q134 L137I87-V127 HydrophobicContact CD1-CB 4.46Å; I87-V127 HydrophobicContact CD1-CG1 3.77Å; I87-V127 HydrophobicContact CD1-CG2 3.8Å; L97-V127 HydrophobicContact CD2-CB 4.39Å; L97-V127 HydrophobicContact CD2-CG2 3.62Å; V127-Q134 WeakPolarHBondContact CB-O 3.39Å; V127-Q134 PolarHBondContact O-N 3.34Å; V127-L137 HydrophobicContact CG1-CB 4.34Å
128Y90.5Very high85.9Confident34 Ų3460.9 Ų60.913%0.13331%0.309CS..EExtended strand (participates in β ladder)trans-122.2139.6176.8-63.7-98.4000110.3G95 Q96 K98 H126 T132 E133G95-Y128 CarbonylContact C-O 3.48Å; G95-Y128 VanDerWaalsContact CA-O 3.27Å; G95-Y128 WeakPolarHBondContact CA-O 3.31Å; Q96-Y128 PolarHBondContact N-O 3.06Å; Q96-Y128 PolarHBondContact O-N 3.33Å; K98-Y128 HydrophobicContact CB-CE2 4.42Å; K98-Y128 HydrophobicContact CD-CD2 4.03Å; K98-Y128 HydrophobicContact CD-CE1 4.31Å; K98-Y128 HydrophobicContact CD-CE2 3.53Å; K98-Y128 VanDerWaalsContact CE-CZ 3.4Å; K98-Y128 HydrophobicContact CG-CD2 3.82Å; K98-Y128 HydrophobicContact CG-CE2 3.7Å; K98-Y128 VanDerWaalsContact NZ-CZ 3.27Å; K98-Y128 PolarHBondContact NZ-OH 3Å; H126-Y128 HydrophobicContact CB-CD2 4.45Å; H126-Y128 HydrophobicContact CB-CE2 3.6Å; H126-Y128 WeakPolarHBondContact O-CD2 3.3Å; H126-Y128 WeakPolarHBondContact O-CE2 3.49Å; Y128-T132 CarbonylContact C-O 3.49Å; Y128-T132 WeakPolarHBondContact CA-O 3.43Å; Y128-E133 HydrophobicContact CD1-CB 3.93Å; Y128-E133 HydrophobicContact CD1-CG 4.36Å; Y128-E133 HydrophobicContact CE1-CB 3.73Å; Y128-E133 HydrophobicContact CE1-CG 3.98Å
129S86.2Confident85.7Confident24 Ų2461.3 Ų61.317%0.16831%0.312CS..EExtended strand (participates in β ladder)trans-125.1130.9167.4-175.70000108.8Q131 T132 Q134S129-Q131 PolarHBondContact O-N 3.41Å; S129-Q131 VanDerWaalsContact O-N 3.08Å; S129-T132 PolarHBondContact N-O 2.93Å; S129-T132 WeakPolarHBondContact O-CA 3.21Å; S129-T132 PolarHBondContact O-N 2.92Å; S129-T132 VanDerWaalsContact O-O 3.08Å; S129-T132 PolarHBondContact O-OG1 3.02Å; S129-Q134 VanDerWaalsContact CB-NE2 3.27Å
130E80.9Confident85.3Confident180 Ų18065.9 Ų65.984%0.84134%0.336SS*.THydrogen-bonded Turntrans48.341.3-179.8-58.6-175.8165.400113.4T132E130-T132 PolarHBondContact O-N 3.42Å; E130-T132 VanDerWaalsContact O-N 3.11Å
131Q73.6Confident84.6Confident179 Ų17965.7 Ų65.784%0.83634%0.336SS*.THydrogen-bonded Turntrans68.1-3.7-176.1-46.6179.10.700115.9S129S129-Q131 PolarHBondContact O-N 3.41Å; S129-Q131 VanDerWaalsContact O-N 3.08Å
132T80Confident83.8Confident83 Ų8368.1 Ų68.151%0.50935%0.353SS..EExtended strand (participates in β ladder)trans-88.7136.4170.966.50000110.4Y128 S129 E130Y128-T132 CarbonylContact C-O 3.49Å; Y128-T132 WeakPolarHBondContact CA-O 3.43Å; S129-T132 PolarHBondContact N-O 2.93Å; S129-T132 WeakPolarHBondContact O-CA 3.21Å; S129-T132 PolarHBondContact O-N 2.92Å; S129-T132 VanDerWaalsContact O-O 3.08Å; S129-T132 PolarHBondContact O-OG1 3.02Å; E130-T132 PolarHBondContact O-N 3.42Å; E130-T132 VanDerWaalsContact O-N 3.11Å
133E79.3Confident83.2Confident104 Ų10470.9 Ų70.949%0.48638%0.381SS..EExtended strand (participates in β ladder)trans-73128.4175.5-168.3179.6165.100110.1H126 Y128 I135H126-E133 IonicContact CE1-OE1 3.07Å; H126-E133 IonicContact CG-OE1 2.85Å; H126-E133 IonicContact ND1-OE1 3.96Å; H126-E133 PolarHBondContact ND1-OE1 3.05Å; Y128-E133 HydrophobicContact CD1-CB 3.93Å; Y128-E133 HydrophobicContact CD1-CG 4.36Å; Y128-E133 HydrophobicContact CE1-CB 3.73Å; Y128-E133 HydrophobicContact CE1-CG 3.98Å; E133-I135 HydrophobicContact CG-CD1 4.27Å; E133-I135 HydrophobicContact CG-CG1 4.19Å; E133-I135 WeakPolarHBondContact OE1-CD1 3.28Å
134Q71.6Confident82.9Confident70 Ų7068 Ų6833%0.32736%0.364SS..  trans-118.6101.4177-67.8-165.4-12.200109.2V127 S129V127-Q134 WeakPolarHBondContact CB-O 3.39Å; V127-Q134 PolarHBondContact O-N 3.34Å; S129-Q134 VanDerWaalsContact CB-NE2 3.27Å
135I67Low83Confident81 Ų8169.2 Ų69.242%0.41537%0.371SS..SBendtrans-128.6114.2171.5-59.9-177.6000109H126 E133H126-I135 HydrophobicContact CB-CD1 3.99Å; H126-I135 WeakPolarHBondContact ND1-CD1 3.33Å; E133-I135 HydrophobicContact CG-CD1 4.27Å; E133-I135 HydrophobicContact CG-CG1 4.19Å; E133-I135 WeakPolarHBondContact OE1-CD1 3.28Å
136P68.9Low83.1Confident26 Ų2669.2 Ų69.217%0.16937%0.371CS..SBendcis-85.21650.835.2-34.9000114.1K115 R117 F138K115-P136 HydrophobicContact CB-CB 3.82Å; K115-P136 HydrophobicContact CB-CG 4.08Å; K115-P136 HydrophobicContact CD-CB 4.3Å; K115-P136 HydrophobicContact CD-CG 3.77Å; K115-P136 HydrophobicContact CG-CB 3.98Å; K115-P136 HydrophobicContact CG-CG 3.65Å; R117-P136 HydrophobicContact CG-CB 4.39Å; P136-F138 HydrophobicContact CG-CD2 4.22Å; P136-F138 HydrophobicContact CG-CE1 4.22Å; P136-F138 HydrophobicContact CG-CE2 3.63Å; P136-F138 HydrophobicContact CG-CZ 3.64Å
137L86.4Confident83.5Confident7 Ų767.6 Ų67.64%0.03736%0.362CS..EExtended strand (participates in β ladder)trans-76.1121.4160.4179.568000108.8I87 I94 K115 L116 V127I87-L137 HydrophobicContact CB-CD2 4.32Å; I87-L137 HydrophobicContact CD1-CD2 3.8Å; I87-L137 HydrophobicContact CG2-CD2 3.7Å; I94-L137 HydrophobicContact CD1-CD1 4.29Å; I94-L137 HydrophobicContact CD1-CD2 3.88Å; I94-L137 HydrophobicContact CD1-CG 4.47Å; I94-L137 HydrophobicContact CG1-CD1 4.4Å; I94-L137 HydrophobicContact CG1-CD2 4.21Å; K115-L137 WeakPolarHBondContact CA-O 3.27Å; L116-L137 PolarHBondContact N-O 3.47Å; V127-L137 HydrophobicContact CG1-CB 4.34Å
138F88.5Confident83.8Confident139 Ų13967.4 Ų67.461%0.6136%0.36SS*.EExtended strand (participates in β ladder)trans-89.3128.3173.9-68.4-89.7000109.7G114 K115 P136G114-F138 WeakPolarHBondContact O-CA 3.36Å; K115-F138 HydrophobicContact CD-CE1 4.39Å; K115-F138 HydrophobicContact CG-CD1 4.05Å; K115-F138 HydrophobicContact CG-CE1 3.79Å; K115-F138 HydrophobicContact CG-CZ 4.43Å; P136-F138 HydrophobicContact CG-CD2 4.22Å; P136-F138 HydrophobicContact CG-CE1 4.22Å; P136-F138 HydrophobicContact CG-CE2 3.63Å; P136-F138 HydrophobicContact CG-CZ 3.64Å
139I89.5Confident84.2Confident10 Ų1065.8 Ų65.85%0.05135%0.354CS..PPolyproline II helixtrans-102.5135172.365.7171.2000109.4L59 W79 Y111 G114 L116 S141 L146L59-I139 HydrophobicContact CD1-CD1 3.9Å; W79-I139 HydrophobicContact CB-CG2 4.13Å; W79-I139 VanDerWaalsContact CD1-CG2 3.45Å; W79-I139 HydrophobicContact CD2-CB 4.04Å; W79-I139 HydrophobicContact CD2-CD1 4.16Å; W79-I139 HydrophobicContact CD2-CG2 4.27Å; W79-I139 HydrophobicContact CE3-CD1 4.22Å; W79-I139 HydrophobicContact CG-CB 3.98Å; W79-I139 HydrophobicContact CG-CD1 4.41Å; W79-I139 HydrophobicContact CG-CG2 3.68Å; Y111-I139 HydrophobicContact CD2-CD1 4.1Å; Y111-I139 HydrophobicContact CE2-CD1 3.84Å; Y111-I139 HydrophobicContact CE2-CG1 4.27Å; G114-I139 WeakPolarHBondContact O-CG1 3.41Å; G114-I139 PolarHBondContact O-N 2.9Å; L116-I139 HydrophobicContact CB-CG2 3.87Å; L116-I139 HydrophobicContact CD2-CG2 4.04Å; I139-S141 PolarHBondContact O-N 2.79Å; I139-L146 HydrophobicContact CD1-CD1 3.84Å
140D85.4Confident84.7Confident101 Ų10164.6 Ų64.654%0.5435%0.346SS..  trans-90.385176.4179.122.1000110.3W79 T142W79-D140 WeakPolarHBondContact CZ2-O 3.3Å; D140-T142 VanDerWaalsContact OD1-CG2 3.23Å; D140-T142 WeakPolarHBondContact OD1-CG2 3.4Å; D140-T142 PolarHBondContact OD1-N 3.4Å
141S82Confident85.6Confident13 Ų1356 Ų569%0.09131%0.306CS..  trans-88-2.1177.462.80000113.8I139 G143 E144I139-S141 PolarHBondContact O-N 2.79Å; S141-G143 PolarHBondContact O-N 2.7Å; S141-E144 WeakPolarHBondContact O-CB 3.23Å; S141-E144 WeakPolarHBondContact O-CG 3.13Å; S141-E144 PolarHBondContact O-N 3.41Å
142T78.9Confident86.7Confident102 Ų10247.5 Ų47.563%0.62627%0.266SS*.THydrogen-bonded Turntrans45.530-179.361.90000116.4D140 E144D140-T142 VanDerWaalsContact OD1-CG2 3.23Å; D140-T142 WeakPolarHBondContact OD1-CG2 3.4Å; D140-T142 PolarHBondContact OD1-N 3.4Å; T142-E144 VanDerWaalsContact C-N 3.3Å
143G79.8Confident87.5Confident74 Ų7445.4 Ų45.476%0.76325%0.25SS*.THydrogen-bonded Turntrans78.89.1-177.200000114.9S141S141-G143 PolarHBondContact O-N 2.7Å
144E87.6Confident88.2Confident63 Ų6345.6 Ų45.629%0.29426%0.255SS..PPolyproline II helixtrans-66.7150173.7-64.4-175.8107.300111.7T61 S141 T142 L146T61-E144 HydrophobicContact CG2-CB 3.77Å; T61-E144 HydrophobicContact CG2-CG 4.33Å; S141-E144 WeakPolarHBondContact O-CB 3.23Å; S141-E144 WeakPolarHBondContact O-CG 3.13Å; S141-E144 PolarHBondContact O-N 3.41Å; T142-E144 VanDerWaalsContact C-N 3.3Å; E144-L146 PolarHBondContact O-N 3.4Å
145V92.5Very high88.9Confident82 Ų8244.4 Ų44.450%0.49726%0.261SS..PPolyproline II helixtrans-78.5120.5175.71770000109.2P36 Y147P36-V145 HydrophobicContact CB-CG1 3.12Å; P36-V145 HydrophobicContact CG-CG1 3.66Å; V145-Y147 HydrophobicContact CG1-CE2 3.96Å
146L95.8Very high90.3Very high4 Ų440.6 Ų40.62%0.02124%0.242CC..PPolyproline II helixtrans-98.3147.1-175.5-62.1177.8000112.3P36 I37 L59 C60 T61 W79 Y111 I139 E144P36-L146 CarbonylContact C-O 3.55Å; P36-L146 VanDerWaalsContact CA-O 3.3Å; P36-L146 WeakPolarHBondContact CA-O 2.83Å; P36-L146 WeakPolarHBondContact CB-O 3.45Å; I37-L146 HydrophobicContact CD1-CB 4.45Å; I37-L146 PolarHBondContact N-O 3.47Å; L59-L146 HydrophobicContact CD1-CD1 3.93Å; C60-L146 CarbonylContact O-C 3.55Å; C60-L146 WeakPolarHBondContact O-CA 3.24Å; T61-L146 HydrophobicContact CG2-CD2 4.11Å; W79-L146 HydrophobicContact CE3-CD2 4.29Å; W79-L146 HydrophobicContact CZ3-CD2 3.65Å; Y111-L146 HydrophobicContact CD2-CD1 4.22Å; Y111-L146 HydrophobicContact CE1-CD1 4.44Å; Y111-L146 HydrophobicContact CE2-CD1 3.58Å; I139-L146 HydrophobicContact CD1-CD1 3.84Å; E144-L146 PolarHBondContact O-N 3.4Å
147Y97.4Very high91.7Very high39 Ų3940.7 Ų40.715%0.15324%0.242CC..EExtended strand (participates in β ladder)trans-126.2136.5176.1-66.2-103.3000109.2T33 P36 L59 C60 V62 V145 V149T33-Y147 VanDerWaalsContact O-CD1 3.27Å; T33-Y147 WeakPolarHBondContact O-CD1 3.24Å; P36-Y147 HydrophobicContact CB-CD1 4.07Å; P36-Y147 HydrophobicContact CB-CD2 4.22Å; P36-Y147 HydrophobicContact CB-CE1 3.74Å; P36-Y147 HydrophobicContact CB-CE2 3.87Å; P36-Y147 HydrophobicContact CB-CG 4.31Å; P36-Y147 HydrophobicContact CG-CE1 4.17Å; L59-Y147 CarbonylContact C-O 3.53Å; L59-Y147 WeakPolarHBondContact CA-O 3.29Å; C60-Y147 PolarHBondContact N-O 2.71Å; C60-Y147 PolarHBondContact O-N 2.97Å; V62-Y147 HydrophobicContact CB-CE2 4.23Å; V145-Y147 HydrophobicContact CG1-CE2 3.96Å; Y147-V149 PolarHBondContact O-N 2.94Å
148P97.8Very high92.3Very high0 Ų040.3 Ų40.30%024%0.24CC..EExtended strand (participates in β ladder)trans-54.6133.7161.3-24.832000110.4R32 T33 I37 Y44 G58 F162 I180R32-P148 CarbonylContact C-O 3.58Å; R32-P148 VanDerWaalsContact CA-O 3.23Å; R32-P148 WeakPolarHBondContact CA-O 2.96Å; T33-P148 HydrophobicContact CG2-CB 3.76Å; T33-P148 HydrophobicContact CG2-CG 4.02Å; T33-P148 PolarHBondContact N-O 2.84Å; T33-P148 WeakPolarHBondContact OG1-CD 3.44Å; I37-P148 HydrophobicContact CD1-CG 4.41Å; I37-P148 HydrophobicContact CG1-CG 4.38Å; Y44-P148 HydrophobicContact CD1-CB 4.01Å; Y44-P148 HydrophobicContact CD1-CG 4.01Å; Y44-P148 HydrophobicContact CE1-CB 3.69Å; Y44-P148 HydrophobicContact CE1-CG 4Å; Y44-P148 HydrophobicContact CE2-CB 4.33Å; Y44-P148 HydrophobicContact CG-CB 4.45Å; G58-P148 CarbonylContact O-C 3.58Å; G58-P148 WeakPolarHBondContact O-CA 3.35Å; P148-F162 HydrophobicContact CB-CE1 4.09Å; P148-F162 HydrophobicContact CG-CE1 4.34Å; P148-I180 HydrophobicContact CG-CD1 4.36Å
149V98.4Very high92.7Very high0 Ų034.3 Ų34.30%021%0.214CC..EExtended strand (participates in β ladder)trans-131.4138178.668.50000110.1A30 R32 G58 C60 L66 L72 I80 Y147A30-V149 HydrophobicContact CB-CG2 4.42Å; R32-V149 HydrophobicContact CB-CB 4.45Å; R32-V149 HydrophobicContact CB-CG2 4.41Å; G58-V149 PolarHBondContact N-O 3.42Å; G58-V149 PolarHBondContact O-N 3.02Å; C60-V149 HydrophobicContact CB-CB 4.12Å; C60-V149 HydrophobicContact CB-CG1 3.87Å; L66-V149 HydrophobicContact CD2-CG2 3.98Å; L72-V149 HydrophobicContact CD1-CG2 4.23Å; L72-V149 HydrophobicContact CD2-CG2 4.07Å; I80-V149 HydrophobicContact CG2-CG1 4.05Å; Y147-V149 PolarHBondContact O-N 2.94Å
150L98.6Very high93.1Very high0 Ų034.2 Ų34.20%021%0.214CC..EExtended strand (participates in β ladder)trans-126.1139.1171.6-76.271.5000108.3L7 I25 A30 A31 Y44 V46 G56 I57 L158 V160L7-L150 HydrophobicContact CD2-CD1 4.26Å; I25-L150 HydrophobicContact CD1-CB 4.35Å; I25-L150 WeakPolarHBondContact CD1-O 3.37Å; I25-L150 HydrophobicContact CG2-CB 4.08Å; I25-L150 HydrophobicContact CG2-CD2 3.98Å; A30-L150 CarbonylContact C-O 3.51Å; A30-L150 WeakPolarHBondContact CA-O 3.32Å; A30-L150 VanDerWaalsContact CB-O 3.3Å; A30-L150 WeakPolarHBondContact CB-O 3.44Å; A31-L150 PolarHBondContact N-O 3.45Å; A31-L150 PolarHBondContact O-N 2.9Å; Y44-L150 HydrophobicContact CE2-CD1 4.02Å; V46-L150 HydrophobicContact CG1-CD2 3.85Å; V46-L150 HydrophobicContact CG2-CD1 4.2Å; V46-L150 HydrophobicContact CG2-CD2 3.87Å; V46-L150 HydrophobicContact CG2-CG 4.13Å; G56-L150 CarbonylContact O-C 3.53Å; G56-L150 WeakPolarHBondContact O-CA 3.5Å; I57-L150 HydrophobicContact CG1-CG 4.48Å; L150-L158 HydrophobicContact CB-CD1 4.45Å; L150-L158 HydrophobicContact CD2-CB 4.13Å; L150-L158 HydrophobicContact CD2-CD1 4.13Å; L150-L158 HydrophobicContact CG-CD1 4.49Å; L150-V160 HydrophobicContact CD1-CG2 4.25Å; L150-V160 HydrophobicContact CD2-CB 3.92Å; L150-V160 HydrophobicContact CD2-CG2 4.32Å
151G98.1Very high93.7Very high0 Ų030 Ų300%019%0.193CC..EExtended strand (participates in β ladder)trans-129.915416900000111.5G29 W55 G56G29-G151 WeakPolarHBondContact O-CA 3.41Å; W55-G151 VanDerWaalsContact CA-O 3.32Å; W55-G151 WeakPolarHBondContact CA-O 3.27Å; W55-G151 WeakPolarHBondContact CB-O 3.38Å; G56-G151 PolarHBondContact N-O 3.31Å; G56-G151 VanDerWaalsContact N-O 3.09Å; G56-G151 PolarHBondContact O-N 2.92Å
152V97.9Very high94.3Very high0 Ų029.7 Ų29.70%019%0.19CC..EExtended strand (participates in β ladder)trans-145.5144.3-175.9-69.40000110V16 I25 N28 G29 T156 L158V16-V152 HydrophobicContact CG2-CG2 3.83Å; I25-V152 HydrophobicContact CD1-CG2 4.27Å; I25-V152 HydrophobicContact CG1-CG2 3.88Å; I25-V152 HydrophobicContact CG2-CG1 3.94Å; N28-V152 CarbonylContact C-O 3.59Å; N28-V152 VanDerWaalsContact CA-O 3.3Å; N28-V152 WeakPolarHBondContact CA-O 3.4Å; G29-V152 PolarHBondContact N-O 2.99Å; G29-V152 PolarHBondContact O-N 2.96Å; V152-T156 HydrophobicContact CG1-CG2 4.09Å; V152-L158 HydrophobicContact CG1-CB 4.44Å; V152-L158 HydrophobicContact CG1-CD1 3.58Å; V152-L158 HydrophobicContact CG1-CG 3.66Å
153E96.9Very high94.8Very high38 Ų3826.6 Ų26.618%0.17817%0.171CC..  trans-139.5160.4172-75.1170.7-177.700109.7S27 N28 S54 S68 I69 G155 T156S27-E153 WeakPolarHBondContact O-CA 3.35Å; N28-E153 WeakPolarHBondContact OD1-CA 3.33Å; S54-E153 PolarHBondContact O-N 3.28Å; S68-E153 WeakPolarHBondContact CB-OE1 3.36Å; I69-E153 WeakPolarHBondContact CB-OE1 3.45Å; I69-E153 HydrophobicContact CG1-CG 3.96Å; I69-E153 PolarHBondContact N-OE1 2.99Å; E153-G155 PolarHBondContact O-N 3.5Å; E153-T156 VanDerWaalsContact O-CB 3.27Å; E153-T156 WeakPolarHBondContact O-CB 3.34Å; E153-T156 PolarHBondContact O-N 3.08Å; E153-T156 VanDerWaalsContact O-N 3.14Å; E153-T156 PolarHBondContact O-OG1 3.34Å
154D92.5Very high95.2Very high109 Ų10924.8 Ų24.858%0.58315%0.149SC*.THydrogen-bonded Turntrans51.950.8168-60.5-37.7000114.5N28 G52 T156N28-D154 PolarHBondContact OD1-N 3.48Å; N28-D154 VanDerWaalsContact OD1-N 3.15Å; G52-D154 CarbonylContact C-O 3.59Å; D154-T156 PolarHBondContact O-N 3.05Å
155G87.3Confident95.2Very high45 Ų4528.4 Ų28.446%0.46417%0.171SC..THydrogen-bonded Turntrans783.6174.100000114.7E153E153-G155 PolarHBondContact O-N 3.5Å
156T96.3Very high95.2Very high1 Ų127.3 Ų27.31%0.00617%0.167CC..  trans-60137.1173.5-56.30000111.1C26 N50 G53 S54 W55 V152 E153 D154 L158C26-T156 WeakPolarHBondContact CA-O 3.32Å; N50-T156 WeakPolarHBondContact O-CA 3.23Å; G53-T156 WeakPolarHBondContact CA-OG1 3.42Å; G53-T156 PolarHBondContact N-OG1 3.04Å; S54-T156 PolarHBondContact O-OG1 3.14Å; W55-T156 HydrophobicContact CB-CG2 4Å; W55-T156 HydrophobicContact CG-CG2 4.35Å; V152-T156 HydrophobicContact CG1-CG2 4.09Å; E153-T156 VanDerWaalsContact O-CB 3.27Å; E153-T156 WeakPolarHBondContact O-CB 3.34Å; E153-T156 PolarHBondContact O-N 3.08Å; E153-T156 VanDerWaalsContact O-N 3.14Å; E153-T156 PolarHBondContact O-OG1 3.34Å; D154-T156 PolarHBondContact O-N 3.05Å; T156-L158 HydrophobicContact CG2-CD2 4.15Å; T156-L158 HydrophobicContact CG2-CG 4.32Å
157V97.8Very high95.1Very high27 Ų2728.2 Ų28.216%0.16417%0.17CC..EExtended strand (participates in β ladder)trans-126.2126.5177.8-173.60000109.6R24 C26 Q49 N50R24-V157 HydrophobicContact CG-CG1 3.96Å; C26-V157 HydrophobicContact CB-CB 4.36Å; C26-V157 HydrophobicContact CB-CG1 4.33Å; C26-V157 HydrophobicContact CB-CG2 3.84Å; Q49-V157 HydrophobicContact CB-CB 4.07Å; Q49-V157 HydrophobicContact CB-CG1 3.94Å; Q49-V157 WeakPolarHBondContact CB-O 3.45Å; Q49-V157 PolarHBondContact N-O 3.36Å; N50-V157 HydrophobicContact CB-CB 4.18Å; N50-V157 HydrophobicContact CB-CG2 4.11Å; N50-V157 PolarHBondContact N-O 2.77Å; N50-V157 PolarHBondContact O-N 3.03Å
158L98.4Very high95Very high0 Ų030.9 Ų30.90%019%0.187CC..EExtended strand (participates in β ladder)trans-122134.2177.1-53.9176.3000110.2R24 I25 V46 L48 W55 I57 L150 V152 T156R24-L158 CarbonylContact C-O 3.49Å; R24-L158 VanDerWaalsContact CA-O 3.29Å; R24-L158 WeakPolarHBondContact CA-O 3.21Å; I25-L158 HydrophobicContact CG2-CB 3.79Å; I25-L158 HydrophobicContact CG2-CD1 4.31Å; I25-L158 HydrophobicContact CG2-CG 4.4Å; I25-L158 PolarHBondContact N-O 2.76Å; I25-L158 PolarHBondContact O-N 3.26Å; V46-L158 HydrophobicContact CG1-CB 3.81Å; V46-L158 HydrophobicContact CG1-CD1 4.11Å; V46-L158 HydrophobicContact CG1-CD2 4.11Å; V46-L158 HydrophobicContact CG1-CG 4.24Å; L48-L158 HydrophobicContact CD2-CD2 3.39Å; W55-L158 HydrophobicContact CB-CD1 4.07Å; I57-L158 HydrophobicContact CD1-CD1 4.47Å; I57-L158 HydrophobicContact CG1-CD1 4.22Å; L150-L158 HydrophobicContact CB-CD1 4.45Å; L150-L158 HydrophobicContact CD2-CB 4.13Å; L150-L158 HydrophobicContact CD2-CD1 4.13Å; L150-L158 HydrophobicContact CG-CD1 4.49Å; V152-L158 HydrophobicContact CG1-CB 4.44Å; V152-L158 HydrophobicContact CG1-CD1 3.58Å; V152-L158 HydrophobicContact CG1-CG 3.66Å; T156-L158 HydrophobicContact CG2-CD2 4.15Å; T156-L158 HydrophobicContact CG2-CG 4.32Å
159D98.3Very high94.8Very high13 Ų1334.9 Ų34.97%0.0720%0.203CC..EExtended strand (participates in β ladder)trans-98.7139164.9-88.8-5.6000109.5K20 L23 R24 V46 K47 Q49K20-D159 IonicContact NZ-OD2 3.83Å; K20-D159 PolarHBondContact NZ-OD2 2.81Å; L23-D159 WeakPolarHBondContact O-CA 3.47Å; R24-D159 WeakPolarHBondContact CB-OD1 3.3Å; R24-D159 IonicContact CZ-OD1 2.97Å; R24-D159 VanDerWaalsContact CZ-OD1 3.25Å; R24-D159 IonicContact CZ-OD2 2.65Å; R24-D159 IonicContact NE-OD1 3.25Å; R24-D159 PolarHBondContact NE-OD1 2.92Å; R24-D159 IonicContact NE-OD2 3.8Å; R24-D159 VanDerWaalsContact NH2-CG 3.28Å; R24-D159 IonicContact NH2-OD1 3.59Å; R24-D159 PolarHBondContact NH2-OD1 2.84Å; R24-D159 IonicContact NH2-OD2 3.57Å; R24-D159 PolarHBondContact NH2-OD2 2.83Å; V46-D159 CarbonylContact C-O 3.54Å; V46-D159 VanDerWaalsContact CA-O 3.26Å; V46-D159 WeakPolarHBondContact CA-O 3.43Å; K47-D159 HydrophobicContact CB-CB 4.25Å; K47-D159 PolarHBondContact N-O 2.99Å; K47-D159 PolarHBondContact O-N 2.79Å; Q49-D159 HydrophobicContact CG-CB 4.05Å; Q49-D159 PolarHBondContact NE2-OD2 3.15Å
160V98.2Very high94.1Very high8 Ų840.9 Ų40.95%0.04823%0.234CC..EExtended strand (participates in β ladder)trans-120.3141.2177.664.40000111.4L7 L23 Y44 E45 V46 L150 F162L7-V160 HydrophobicContact CD1-CG1 4.11Å; L7-V160 HydrophobicContact CG-CG1 4.07Å; L23-V160 HydrophobicContact CD2-CG1 4.48Å; L23-V160 PolarHBondContact O-N 3.48Å; Y44-V160 HydrophobicContact CD2-CG2 3.97Å; E45-V160 CarbonylContact O-C 3.58Å; E45-V160 VanDerWaalsContact O-CA 3.28Å; E45-V160 WeakPolarHBondContact O-CA 3.17Å; E45-V160 WeakPolarHBondContact O-CG2 3.36Å; V46-V160 HydrophobicContact CG2-CG2 4.27Å; L150-V160 HydrophobicContact CD1-CG2 4.25Å; L150-V160 HydrophobicContact CD2-CB 3.92Å; L150-V160 HydrophobicContact CD2-CG2 4.32Å; V160-F162 HydrophobicContact CB-CE2 4.24Å; V160-F162 HydrophobicContact CB-CZ 4.18Å; V160-F162 HydrophobicContact CG1-CD2 4.45Å; V160-F162 HydrophobicContact CG1-CE2 3.54Å; V160-F162 HydrophobicContact CG1-CZ 3.8Å; V160-F162 HydrophobicContact CG2-CD1 4.27Å; V160-F162 HydrophobicContact CG2-CD2 4.31Å; V160-F162 HydrophobicContact CG2-CE1 3.6Å; V160-F162 HydrophobicContact CG2-CE2 3.66Å; V160-F162 HydrophobicContact CG2-CZ 3.27Å
161A96.6Very high93.1Very high12 Ų1241.4 Ų41.410%0.09924%0.237CC..EExtended strand (participates in β ladder)trans-122.9138.9171.900000109.9Y44 E45 F167Y44-A161 WeakPolarHBondContact CA-O 3.21Å; Y44-A161 WeakPolarHBondContact CB-O 3.18Å; E45-A161 HydrophobicContact CB-CB 4.37Å; E45-A161 PolarHBondContact N-O 2.95Å; E45-A161 PolarHBondContact O-N 2.75Å; A161-F167 HydrophobicContact CB-CD1 3.83Å; A161-F167 HydrophobicContact CB-CE1 4.13Å; A161-F167 WeakPolarHBondContact O-CE1 3.27Å
162F94.3Very high91.7Very high6 Ų647.2 Ų47.23%0.02627%0.268CS..  trans-123.1-3-179.1-60.1-71.7000113.6V5 L23 T33 Y44 P148 V160V5-F162 HydrophobicContact CB-CB 3.83Å; V5-F162 HydrophobicContact CB-CD1 4.4Å; V5-F162 HydrophobicContact CB-CD2 4.11Å; V5-F162 HydrophobicContact CB-CG 3.87Å; V5-F162 HydrophobicContact CG1-CB 4.04Å; V5-F162 HydrophobicContact CG1-CD1 3.65Å; V5-F162 HydrophobicContact CG1-CD2 3.82Å; V5-F162 HydrophobicContact CG1-CE1 3.99Å; V5-F162 HydrophobicContact CG1-CE2 4.13Å; V5-F162 HydrophobicContact CG1-CG 3.56Å; V5-F162 HydrophobicContact CG1-CZ 4.21Å; V5-F162 VanDerWaalsContact O-CD2 3.28Å; V5-F162 WeakPolarHBondContact O-CD2 3.21Å; L23-F162 HydrophobicContact CD2-CD2 3.95Å; L23-F162 HydrophobicContact CD2-CE2 4.17Å; T33-F162 HydrophobicContact CG2-CD1 4.47Å; T33-F162 HydrophobicContact CG2-CE1 3.56Å; T33-F162 HydrophobicContact CG2-CE2 4.2Å; T33-F162 HydrophobicContact CG2-CZ 3.38Å; Y44-F162 HydrophobicContact CD2-CE1 4.24Å; Y44-F162 HydrophobicContact CG-CD1 4.3Å; Y44-F162 HydrophobicContact CG-CE1 4.15Å; P148-F162 HydrophobicContact CB-CE1 4.09Å; P148-F162 HydrophobicContact CG-CE1 4.34Å; V160-F162 HydrophobicContact CB-CE2 4.24Å; V160-F162 HydrophobicContact CB-CZ 4.18Å; V160-F162 HydrophobicContact CG1-CD2 4.45Å; V160-F162 HydrophobicContact CG1-CE2 3.54Å; V160-F162 HydrophobicContact CG1-CZ 3.8Å; V160-F162 HydrophobicContact CG2-CD1 4.27Å; V160-F162 HydrophobicContact CG2-CD2 4.31Å; V160-F162 HydrophobicContact CG2-CE1 3.6Å; V160-F162 HydrophobicContact CG2-CE2 3.66Å; V160-F162 HydrophobicContact CG2-CZ 3.27Å
163T90.4Very high89.8Confident38 Ų3849.6 Ų49.623%0.23328%0.284CS..SBendtrans-126145.2-173.660.70000110.8N165 S166 F167T163-N165 WeakPolarHBondContact CB-OD1 3.38Å; T163-N165 PolarHBondContact O-N 3.43Å; T163-N165 VanDerWaalsContact O-N 3.17Å; T163-N165 PolarHBondContact OG1-OD1 3.26Å; T163-S166 PolarHBondContact O-N 2.78Å; T163-S166 PolarHBondContact OG1-OG 3.36Å; T163-F167 WeakPolarHBondContact O-CD1 3.3Å; T163-F167 PolarHBondContact O-N 3.48Å
164A87.1Confident87.4Confident36 Ų3653.6 Ų53.630%0.29831%0.311SS..G310 helixtrans-57.7-35-173.900000113.8S166 F167 F177A164-S166 PolarHBondContact O-N 3.07Å; A164-F167 VanDerWaalsContact CA-CD2 3.47Å; A164-F167 HydrophobicContact CB-CD2 4.39Å; A164-F167 HydrophobicContact CB-CE2 4.42Å; A164-F167 PolarHBondContact O-N 3.44Å; A164-F177 HydrophobicContact CB-CE1 4.21Å
165N88.6Confident85Confident139 Ų13957.5 Ų57.574%0.74333%0.326SS*.G310 helixtrans-71.7-9.3177.369-31000114.3T163T163-N165 WeakPolarHBondContact CB-OD1 3.38Å; T163-N165 PolarHBondContact O-N 3.43Å; T163-N165 VanDerWaalsContact O-N 3.17Å; T163-N165 PolarHBondContact OG1-OD1 3.26Å
166S91.8Very high82.9Confident59 Ų5958 Ų5841%0.41333%0.332SS..G310 helixtrans-111.5-5.2179.5-52.80000112.8T163 A164T163-S166 PolarHBondContact O-N 2.78Å; T163-S166 PolarHBondContact OG1-OG 3.36Å; A164-S166 PolarHBondContact O-N 3.07Å
167F94.1Very high80.4Confident22 Ų2260.4 Ų60.410%0.09634%0.342CS..  trans-76.8141.8178.4-61.1-28.6000111.2Y43 E45 A161 T163 A164 F177Y43-F167 HydrophobicContact CD1-CD1 4.49Å; Y43-F167 AromaticContact CD1-CD2 3.8Å; Y43-F167 HydrophobicContact CD1-CD2 3.8Å; Y43-F167 HydrophobicContact CD1-CE1 4.17Å; Y43-F167 AromaticContact CD1-CE2 3.46Å; Y43-F167 HydrophobicContact CD1-CE2 3.46Å; Y43-F167 VanDerWaalsContact CD1-CE2 3.46Å; Y43-F167 HydrophobicContact CD1-CG 4.35Å; Y43-F167 AromaticContact CD1-CZ 3.66Å; Y43-F167 HydrophobicContact CD1-CZ 3.66Å; Y43-F167 HydrophobicContact CE1-CD1 4.14Å; Y43-F167 AromaticContact CE1-CD2 3.67Å; Y43-F167 HydrophobicContact CE1-CD2 3.67Å; Y43-F167 HydrophobicContact CE1-CE1 4.25Å; Y43-F167 AromaticContact CE1-CE2 3.84Å; Y43-F167 HydrophobicContact CE1-CE2 3.84Å; Y43-F167 AromaticContact CE1-CG 3.88Å; Y43-F167 HydrophobicContact CE1-CG 3.88Å; Y43-F167 HydrophobicContact CE1-CZ 4.13Å; E45-F167 HydrophobicContact CB-CD1 4.31Å; E45-F167 HydrophobicContact CG-CD1 3.93Å; E45-F167 HydrophobicContact CG-CG 4.39Å; E45-F167 WeakPolarHBondContact OE2-CA 3.36Å; A161-F167 HydrophobicContact CB-CD1 3.83Å; A161-F167 HydrophobicContact CB-CE1 4.13Å; A161-F167 WeakPolarHBondContact O-CE1 3.27Å; T163-F167 WeakPolarHBondContact O-CD1 3.3Å; T163-F167 PolarHBondContact O-N 3.48Å; A164-F167 VanDerWaalsContact CA-CD2 3.47Å; A164-F167 HydrophobicContact CB-CD2 4.39Å; A164-F167 HydrophobicContact CB-CE2 4.42Å; A164-F167 PolarHBondContact O-N 3.44Å; F167-F177 HydrophobicContact CE2-CE1 4.31Å; F167-F177 HydrophobicContact CE2-CE2 4.39Å; F167-F177 AromaticContact CE2-CZ 3.65Å; F167-F177 HydrophobicContact CE2-CZ 3.65Å; F167-F177 HydrophobicContact CZ-CZ 4.26Å
168N95Very high78.1Confident95 Ų9560 Ų6051%0.50834%0.343SS..SBendtrans-80.8-34.7171.1-57.5-90.9000110.1E45 V106E45-N168 PolarHBondContact OE1-N 2.79Å; E45-N168 PolarHBondContact OE2-N 2.89Å; E45-N168 PolarHBondContact OE2-ND2 3.35Å; V106-N168 HydrophobicContact CG2-CB 4.28Å
169Y93.3Very high75.8Confident85 Ų8563.8 Ų63.833%0.33336%0.361SS..SBendtrans-129.4119.1-178.4-54.1-80.2000109.8Y43 E45 V106 N121Y43-Y169 WeakPolarHBondContact CE1-O 3.45Å; Y43-Y169 PolarHBondContact OH-O 2.8Å; E45-Y169 WeakPolarHBondContact OE1-CA 3.49Å; E45-Y169 PolarHBondContact OE1-N 3.33Å; V106-Y169 HydrophobicContact CB-CD2 4Å; V106-Y169 HydrophobicContact CB-CE2 3.74Å; V106-Y169 HydrophobicContact CG1-CD2 4.04Å; V106-Y169 HydrophobicContact CG1-CE2 4.28Å; V106-Y169 HydrophobicContact CG2-CD2 4.46Å; V106-Y169 HydrophobicContact CG2-CE2 3.92Å; N121-Y169 VanDerWaalsContact CA-CE2 3.48Å; N121-Y169 HydrophobicContact CB-CE2 4.19Å; N121-Y169 WeakPolarHBondContact O-CD1 3.32Å; N121-Y169 WeakPolarHBondContact O-CE1 3.19Å
170L85.3Confident73.6Confident126 Ų12663.9 Ų63.966%0.6636%0.361SS*.  trans-68.4143.7176.2-67.1175000110.3
171P76.9Confident71.2Confident10 Ų1069.7 Ų69.77%0.06539%0.386CS..  trans-60.6140.3175.823.1-31000111.2Y41 Y43 S173 F177Y41-P171 HydrophobicContact CE1-CB 4.37Å; Y41-P171 WeakPolarHBondContact OH-CB 3.27Å; Y43-P171 HydrophobicContact CD1-CB 4.16Å; Y43-P171 HydrophobicContact CD1-CG 4.05Å; Y43-P171 HydrophobicContact CD2-CB 4.34Å; Y43-P171 HydrophobicContact CG-CB 4.05Å; Y43-P171 HydrophobicContact CG-CG 4.33Å; P171-S173 VanDerWaalsContact C-N 3.3Å; P171-S173 PolarHBondContact O-N 3.25Å; P171-F177 HydrophobicContact CG-CD1 4.44Å; P171-F177 HydrophobicContact CG-CD2 3.74Å; P171-F177 HydrophobicContact CG-CE2 4.08Å; P171-F177 HydrophobicContact CG-CG 3.95Å
172L67.7Low68.5Low123 Ų12373 Ų7364%0.64440%0.398SS*.SBendtrans-62.7-30-174.1-68.3173.1000114T124T124-L172 WeakPolarHBondContact OG1-CD1 3.2Å
173S59.3Low65.7Low49 Ų4980.4 Ų80.434%0.34343%0.433SS..  trans-100.3102.7173.861.30000110.7Y41 P171 E175Y41-S173 VanDerWaalsContact CE2-OG 3.28Å; Y41-S173 WeakPolarHBondContact CE2-OG 3.45Å; Y41-S173 PolarHBondContact OH-OG 2.71Å; P171-S173 VanDerWaalsContact C-N 3.3Å; P171-S173 PolarHBondContact O-N 3.25Å; S173-E175 VanDerWaalsContact C-N 3.33Å
174V46.2Very low63.3Low122 Ų12287.6 Ų87.674%0.73946%0.461SS*.  trans-75-27.3170.2-173.10000110.9G176 F177V174-G176 PolarHBondContact O-N 3.1Å; V174-F177 PolarHBondContact O-N 3.43Å
175E42.2Very low60.9Low191 Ų19194.3 Ų94.389%0.89349%0.486SS*.THydrogen-bonded Turntrans-66.999.8172.5-78.4-169.4160.700110.2S173S173-E175 VanDerWaalsContact C-N 3.33Å
176G43.1Very low58.4Low57 Ų5793.5 Ų93.559%0.58849%0.486SS*.THydrogen-bonded Turntrans105.4-1177.200000115.5V174 G178V174-G176 PolarHBondContact O-N 3.1Å; G176-G178 PolarHBondContact O-N 3.39Å
177F43Very low55.9Low51 Ų5196.8 Ų96.822%0.22450%0.504CS..  trans-68.394.5173-173.6-108.3000110.8Y41 A164 F167 P171 V174 E179Y41-F177 AromaticContact CD1-CD2 3.73Å; Y41-F177 HydrophobicContact CD1-CD2 3.73Å; Y41-F177 HydrophobicContact CD1-CE2 4.47Å; Y41-F177 AromaticContact CE1-CD2 3.55Å; Y41-F177 HydrophobicContact CE1-CD2 3.55Å; Y41-F177 HydrophobicContact CE1-CE2 4.25Å; A164-F177 HydrophobicContact CB-CE1 4.21Å; F167-F177 HydrophobicContact CE2-CE1 4.31Å; F167-F177 HydrophobicContact CE2-CE2 4.39Å; F167-F177 AromaticContact CE2-CZ 3.65Å; F167-F177 HydrophobicContact CE2-CZ 3.65Å; F167-F177 HydrophobicContact CZ-CZ 4.26Å; P171-F177 HydrophobicContact CG-CD1 4.44Å; P171-F177 HydrophobicContact CG-CD2 3.74Å; P171-F177 HydrophobicContact CG-CE2 4.08Å; P171-F177 HydrophobicContact CG-CG 3.95Å; V174-F177 PolarHBondContact O-N 3.43Å; F177-E179 HydrophobicContact CE1-CG 4.2Å
178G49.8Very low54Low17 Ų17108.2 Ų108.218%0.17555%0.553CS.*  trans-89.7128.9154.800000108Q39 G176Q39-G178 PolarHBondContact NE2-O 2.93Å; G176-G178 PolarHBondContact O-N 3.39Å
179E50.6Low51.9Low80 Ų80108.9 Ų108.937%0.37456%0.556SS.*  trans-43.7155.4157.2-66.2-178.6148.800109.5F177 K181F177-E179 HydrophobicContact CE1-CG 4.2Å; E179-K181 HydrophobicContact CB-CG 4.27Å; E179-K181 WeakPolarHBondContact O-CG 3.36Å; E179-K181 PolarHBondContact O-N 2.67Å
180I52.6Low49.8Very low16 Ų16110.1 Ų110.18%0.08257%0.567CS.*SBendtrans-59.297.5165.7-61.9167.8000107.4V5 I35 Q39 A42 P148V5-I180 HydrophobicContact CG1-CD1 4.39Å; V5-I180 HydrophobicContact CG2-CB 3.81Å; V5-I180 HydrophobicContact CG2-CD1 4.43Å; V5-I180 HydrophobicContact CG2-CG2 3.67Å; I35-I180 HydrophobicContact CG2-CG2 3.91Å; Q39-I180 VanDerWaalsContact NE2-CA 3.26Å; A42-I180 HydrophobicContact CB-CG1 4.28Å; P148-I180 HydrophobicContact CG-CD1 4.36Å
181K47.7Very low47.8Very low129 Ų129109.2 Ų109.256%0.56156%0.562SS**  trans-98.5136.9-172.7-81175.3-171.8179.20108.1E179 Q183E179-K181 HydrophobicContact CB-CG 4.27Å; E179-K181 WeakPolarHBondContact O-CG 3.36Å; E179-K181 PolarHBondContact O-N 2.67Å; K181-Q183 PolarHBondContact O-N 3.38Å
182F38.9Very low46.1Very low83 Ų83115.1 Ų115.136%0.36459%0.592SS.*  trans-58.3130.3161.6-86.9-97.1000109.4F3 I35 K184F3-F182 HydrophobicContact CB-CD1 4.31Å; F3-F182 HydrophobicContact CB-CD2 3.71Å; F3-F182 HydrophobicContact CB-CE1 3.7Å; F3-F182 HydrophobicContact CB-CE2 3.01Å; F3-F182 HydrophobicContact CB-CG 4.32Å; F3-F182 HydrophobicContact CB-CZ 3.01Å; F3-F182 HydrophobicContact CD1-CE1 4.36Å; F3-F182 HydrophobicContact CD1-CZ 4.14Å; F3-F182 HydrophobicContact CD2-CD1 4.09Å; F3-F182 AromaticContact CD2-CE1 3.84Å; F3-F182 HydrophobicContact CD2-CE1 3.84Å; F3-F182 HydrophobicContact CD2-CE2 4.48Å; F3-F182 HydrophobicContact CD2-CZ 4.07Å; F3-F182 HydrophobicContact CG-CD1 4.39Å; F3-F182 AromaticContact CG-CE1 3.74Å; F3-F182 HydrophobicContact CG-CE1 3.74Å; F3-F182 AromaticContact CG-CE2 4Å; F3-F182 HydrophobicContact CG-CE2 4Å; F3-F182 AromaticContact CG-CZ 3.53Å; F3-F182 HydrophobicContact CG-CZ 3.53Å; F3-F182 WeakPolarHBondContact O-CE2 3.49Å; I35-F182 HydrophobicContact CD1-CD2 4.39Å; I35-F182 HydrophobicContact CD1-CE2 3.16Å; I35-F182 HydrophobicContact CD1-CZ 3.27Å; I35-F182 HydrophobicContact CG1-CE1 4.41Å; I35-F182 HydrophobicContact CG1-CE2 3.79Å; I35-F182 HydrophobicContact CG1-CZ 3.43Å; I35-F182 VanDerWaalsContact CG1-CZ 3.43Å; I35-F182 HydrophobicContact CG2-CE2 4.43Å; I35-F182 HydrophobicContact CG2-CZ 4.46Å; F182-K184 PolarHBondContact O-N 3.04Å; F182-K184 VanDerWaalsContact O-N 3.07Å
183Q36.2Very low44.7Very low161 Ų161114.6 Ų114.675%0.75259%0.588SS**  trans-61.7113.5156.2-164.3172.812.200106K181 E185K181-Q183 PolarHBondContact O-N 3.38Å; Q183-E185 PolarHBondContact O-N 3.12Å; Q183-E185 VanDerWaalsContact O-N 3.12Å
184K39.1Very low43.7Very low188 Ų188118.9 Ų118.982%0.81761%0.605SS**  trans-58.3118.3173.4-140.4-178.8-176.1-174.20105.8F182 V186F182-K184 PolarHBondContact O-N 3.04Å; F182-K184 VanDerWaalsContact O-N 3.07Å; K184-V186 PolarHBondContact O-N 2.94Å; K184-V186 VanDerWaalsContact O-N 3.09Å
185E36.9Very low43.6Very low178 Ų178118.7 Ų118.783%0.83260%0.595SS**  trans-51.3122.2167.6-80.4178.9153.600107.2Q183 T187Q183-E185 PolarHBondContact O-N 3.12Å; Q183-E185 VanDerWaalsContact O-N 3.12Å; E185-T187 VanDerWaalsContact C-N 3.3Å; E185-T187 PolarHBondContact O-N 3.09Å
186V37.3Very low43.7Very low121 Ų121113.2 Ų113.273%0.73357%0.572SS**  trans-66.999.5168.6-1790000105.1K184 F188K184-V186 PolarHBondContact O-N 2.94Å; K184-V186 VanDerWaalsContact O-N 3.09Å; V186-F188 PolarHBondContact O-N 3.33Å
187T39.8Very low43.7Very low129 Ų129117.8 Ų117.879%0.79157%0.571SS**  trans-70.3118165.6-41.80000106.5E185E185-T187 VanDerWaalsContact C-N 3.3Å; E185-T187 PolarHBondContact O-N 3.09Å
188F53Low43.8Very low261 Ų261123.9 Ų123.9100%1.14560%0.602SS**  trans-600174.9-64.4-87.3000111.7V186V186-F188 PolarHBondContact O-N 3.33Å

Retrieved 188 of 188 residues in 61.2 ms (Link to these results)

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