A0A077ZNV5_TRITR Loading...

His Phos 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZNV5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 174 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
1M48.7Very low65.2Low101 Ų10148.1 Ų48.150%0.49825%0.245SC..  01050-170.5-175.9-74.600109.4R3 R22 Y115 Y117M1-R3 HydrophobicContact CG-CG 4.3Å; M1-R3 PolarHBondContact SD-NE 3.35Å; M1-R3 VanDerWaalsContact SD-NE 3.35Å; M1-R3 PolarHBondContact SD-NH2 2.99Å; M1-R22 PolarHBondContact O-NH2 3.03Å; M1-R22 VanDerWaalsContact O-NH2 3.15Å; M1-Y115 HydrophobicContact CE-CE2 3.96Å; M1-Y115 WeakPolarHBondContact CE-OH 3.3Å; M1-Y115 HydrophobicContact CG-CE2 3.99Å; M1-Y115 HydrophobicContact SD-CD2 4.37Å; M1-Y115 HydrophobicContact SD-CE2 3.33Å; M1-Y115 WeakPolarHBondContact SD-CE2 3.49Å; M1-Y117 HydrophobicContact CE-CD2 3.75Å; M1-Y117 HydrophobicContact CE-CE2 3.93Å; M1-Y117 HydrophobicContact CE-CG 4.34Å
2V52.4Low65.5Low65 Ų6559.2 Ų59.239%0.39430%0.295SS..  trans-78.8129.6173-164.10000106.9Y4V2-Y4 HydrophobicContact CB-CE2 3.97Å; V2-Y4 HydrophobicContact CG1-CD1 4.25Å; V2-Y4 HydrophobicContact CG1-CD2 4.28Å; V2-Y4 HydrophobicContact CG1-CE1 3.58Å; V2-Y4 HydrophobicContact CG1-CE2 3.62Å; V2-Y4 WeakPolarHBondContact CG1-OH 3.3Å
3R65.2Low66.4Low35 Ų3560.2 Ų60.213%0.13230%0.296CS..  trans-123130.2174.6-65.4-161.5-170.5164.4-0.5106.7M1 S68 R70 T71M1-R3 HydrophobicContact CG-CG 4.3Å; M1-R3 PolarHBondContact SD-NE 3.35Å; M1-R3 VanDerWaalsContact SD-NE 3.35Å; M1-R3 PolarHBondContact SD-NH2 2.99Å; R3-S68 PolarHBondContact NH1-OG 3.23Å; R3-R70 VanDerWaalsContact CD-CZ 3.4Å; R3-T71 HydrophobicContact CB-CG2 3.79Å
4Y64.9Low67.6Low88 Ų8867.1 Ų67.135%0.34532%0.318SS..EExtended strand (participates in β ladder)trans-107.3153.4-174.7-61.8-78.6000110.9V2 V16 W17V2-Y4 HydrophobicContact CB-CE2 3.97Å; V2-Y4 HydrophobicContact CG1-CD1 4.25Å; V2-Y4 HydrophobicContact CG1-CD2 4.28Å; V2-Y4 HydrophobicContact CG1-CE1 3.58Å; V2-Y4 HydrophobicContact CG1-CE2 3.62Å; V2-Y4 WeakPolarHBondContact CG1-OH 3.3Å; Y4-V16 HydrophobicContact CD1-CG1 3.61Å; Y4-V16 HydrophobicContact CE1-CG1 4.44Å; Y4-V16 HydrophobicContact CG-CG1 3.88Å; Y4-W17 WeakPolarHBondContact CA-O 3.35Å
5L69.6Low68.6Low2 Ų267 Ų671%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-108.6137.8162-172.572.6000107.4V16 W17 V63 R64L5-V16 WeakPolarHBondContact O-CA 3.08Å; L5-W17 HydrophobicContact CD2-CH2 4.48Å; L5-W17 HydrophobicContact CD2-CZ2 3.43Å; L5-W17 VanDerWaalsContact CD2-CZ2 3.43Å; L5-W17 HydrophobicContact CG-CZ2 4.17Å; L5-W17 PolarHBondContact N-O 2.84Å; L5-W17 PolarHBondContact O-N 3.01Å; L5-W17 VanDerWaalsContact O-N 3.11Å; L5-V63 HydrophobicContact CD1-CG1 4.2Å; L5-R64 VanDerWaalsContact CD1-O 3.28Å; L5-R64 WeakPolarHBondContact CD1-O 3.38Å
6F70Confident69.6Low51 Ų5166.6 Ų66.622%0.22432%0.32CS..EExtended strand (participates in β ladder)trans-114.5124.8179.7-176.2-90.3000108.1T8 W14 V16 R64F6-T8 WeakPolarHBondContact CE1-OG1 3.1Å; F6-W14 HydrophobicContact CE1-CB 4.45Å; F6-W14 HydrophobicContact CE2-CB 3.83Å; F6-W14 HydrophobicContact CE2-CD2 4.36Å; F6-W14 HydrophobicContact CE2-CE3 4.12Å; F6-W14 HydrophobicContact CE2-CG 4.29Å; F6-W14 HydrophobicContact CZ-CB 3.56Å; F6-W14 HydrophobicContact CZ-CG 4.26Å; F6-V16 HydrophobicContact CD2-CG2 3.52Å; F6-V16 HydrophobicContact CE2-CG2 4.06Å; F6-R64 HydrophobicContact CB-CB 4.3Å; F6-R64 HydrophobicContact CD1-CB 4.43Å; F6-R64 PolarHBondContact N-O 2.97Å; F6-R64 PolarHBondContact O-N 2.68Å; F6-R64 VanDerWaalsContact O-O 3.05Å
7L74.5Confident70.5Confident5 Ų564.4 Ų64.43%0.02631%0.308CS..EExtended strand (participates in β ladder)trans-119.6124.5172.3-179.773000108V9 W14 Q15 W17 I61 V63L7-V9 HydrophobicContact CD2-CG2 3.46Å; L7-V9 VanDerWaalsContact CD2-CG2 3.46Å; L7-V9 HydrophobicContact CG-CG2 3.78Å; L7-W14 CarbonylContact O-C 3.57Å; L7-W14 WeakPolarHBondContact O-CA 3.36Å; L7-Q15 PolarHBondContact N-O 3.4Å; L7-Q15 PolarHBondContact O-N 3.46Å; L7-W17 HydrophobicContact CB-CH2 3.26Å; L7-W17 HydrophobicContact CB-CZ2 4.36Å; L7-W17 HydrophobicContact CB-CZ3 3.39Å; L7-W17 HydrophobicContact CD2-CH2 3.51Å; L7-W17 HydrophobicContact CD2-CZ3 3.87Å; L7-W17 HydrophobicContact CG-CH2 3.9Å; L7-W17 HydrophobicContact CG-CZ3 4.23Å; L7-I61 HydrophobicContact CD1-CG2 3.71Å; L7-V63 HydrophobicContact CD1-CB 4.13Å; L7-V63 HydrophobicContact CD1-CG1 4.39Å; L7-V63 HydrophobicContact CD1-CG2 3.3Å
8T67.7Low71.2Confident38 Ų3868.4 Ų68.423%0.23332%0.319CS..EExtended strand (participates in β ladder)trans-94.6122.7161.3-44.60000108F6 Y62F6-T8 WeakPolarHBondContact CE1-OG1 3.1Å; T8-Y62 PolarHBondContact N-O 2.98Å; T8-Y62 PolarHBondContact O-N 3.44Å
9V69.8Low71.7Confident1 Ų165.4 Ų65.41%0.00631%0.305CS..EExtended strand (participates in β ladder)trans-103.6139.9169.3-173.60000106.4L7 K13 Y49 M53 F82L7-V9 HydrophobicContact CD2-CG2 3.46Å; L7-V9 VanDerWaalsContact CD2-CG2 3.46Å; L7-V9 HydrophobicContact CG-CG2 3.78Å; V9-K13 PolarHBondContact N-O 3.3Å; V9-K13 CarbonylContact O-C 3.6Å; V9-K13 PolarHBondContact O-N 3.5Å; V9-Y49 HydrophobicContact CG1-CD1 4.42Å; V9-Y49 HydrophobicContact CG1-CG 4.17Å; V9-M53 HydrophobicContact CG1-CE 4.14Å; V9-M53 HydrophobicContact CG1-CG 3.8Å; V9-M53 HydrophobicContact CG1-SD 3.27Å; V9-M53 WeakPolarHBondContact CG1-SD 3.44Å; V9-F82 HydrophobicContact CG1-CZ 4.37Å; V9-F82 HydrophobicContact CG2-CZ 4.37Å
10A67.9Low71.8Confident20 Ų2062.6 Ų62.617%0.16530%0.295CS..THydrogen-bonded Turntrans-34.1150-176.500000115.4M53 T60A10-M53 HydrophobicContact CB-SD 4.11Å; A10-T60 WeakPolarHBondContact CA-O 3.25Å; A10-T60 PolarHBondContact N-O 3.25Å
11N66.2Low71.8Confident123 Ų12362.2 Ų62.266%0.65830%0.299SS*.THydrogen-bonded Turntrans64.950.8-177.3-55.9-27.7000114.2K13N11-K13 PolarHBondContact O-N 3.11Å
12E68.5Low72.6Confident181 Ų18163.4 Ų63.485%0.84630%0.298SS*.THydrogen-bonded Turntrans60.710172.6-53.6-174.4157.500115.5W14E12-W14 PolarHBondContact O-N 3.13Å
13K78.4Confident72.6Confident72 Ų7262.4 Ų62.431%0.31330%0.296SS..EExtended strand (participates in β ladder)trans-84103.9178.1-67.4-171.3-175.8177.80109.8V9 N11 Y49V9-K13 PolarHBondContact N-O 3.3Å; V9-K13 CarbonylContact O-C 3.6Å; V9-K13 PolarHBondContact O-N 3.5Å; N11-K13 PolarHBondContact O-N 3.11Å; K13-Y49 HydrophobicContact CD-CD1 4.43Å; K13-Y49 HydrophobicContact CD-CE1 3.92Å
14W82.3Confident72Confident158 Ų15867 Ų6760%0.59832%0.323SS*.EExtended strand (participates in β ladder)trans-97.9147.9174.356.3-87.5000111.2F6 L7 E12 V16F6-W14 HydrophobicContact CE1-CB 4.45Å; F6-W14 HydrophobicContact CE2-CB 3.83Å; F6-W14 HydrophobicContact CE2-CD2 4.36Å; F6-W14 HydrophobicContact CE2-CE3 4.12Å; F6-W14 HydrophobicContact CE2-CG 4.29Å; F6-W14 HydrophobicContact CZ-CB 3.56Å; F6-W14 HydrophobicContact CZ-CG 4.26Å; L7-W14 CarbonylContact O-C 3.57Å; L7-W14 WeakPolarHBondContact O-CA 3.36Å; E12-W14 PolarHBondContact O-N 3.13Å; W14-V16 HydrophobicContact CE3-CG2 3.89Å; W14-V16 HydrophobicContact CZ3-CG2 3.95Å
15Q83.4Confident71.3Confident65 Ų6570.3 Ų70.330%0.30434%0.339SS..EExtended strand (participates in β ladder)trans-131.8138.3175.6-69.4-61.6-61.400109L7 W17 Y49L7-Q15 PolarHBondContact N-O 3.4Å; L7-Q15 PolarHBondContact O-N 3.46Å; Q15-W17 HydrophobicContact CB-CE3 4.03Å; Q15-W17 HydrophobicContact CB-CZ3 3.79Å; Q15-Y49 HydrophobicContact CG-CE2 4.11Å; Q15-Y49 WeakPolarHBondContact CG-OH 3.45Å; Q15-Y49 PolarHBondContact NE2-OH 3.39Å
16V84.9Confident70.4Confident61 Ų6176.1 Ų76.137%0.3737%0.369SS..EExtended strand (participates in β ladder)trans-125.2127.6176.6179.20000108.2Y4 L5 F6 W14Y4-V16 HydrophobicContact CD1-CG1 3.61Å; Y4-V16 HydrophobicContact CE1-CG1 4.44Å; Y4-V16 HydrophobicContact CG-CG1 3.88Å; L5-V16 WeakPolarHBondContact O-CA 3.08Å; F6-V16 HydrophobicContact CD2-CG2 3.52Å; F6-V16 HydrophobicContact CE2-CG2 4.06Å; W14-V16 HydrophobicContact CE3-CG2 3.89Å; W14-V16 HydrophobicContact CZ3-CG2 3.95Å
17W84.1Confident70Confident28 Ų2875.9 Ų75.911%0.10638%0.376CS..EExtended strand (participates in β ladder)trans-136.1163.2173.461.493.1000112.3Y4 L5 L7 Q15 L41 L45 T78Y4-W17 WeakPolarHBondContact CA-O 3.35Å; L5-W17 HydrophobicContact CD2-CH2 4.48Å; L5-W17 HydrophobicContact CD2-CZ2 3.43Å; L5-W17 VanDerWaalsContact CD2-CZ2 3.43Å; L5-W17 HydrophobicContact CG-CZ2 4.17Å; L5-W17 PolarHBondContact N-O 2.84Å; L5-W17 PolarHBondContact O-N 3.01Å; L5-W17 VanDerWaalsContact O-N 3.11Å; L7-W17 HydrophobicContact CB-CH2 3.26Å; L7-W17 HydrophobicContact CB-CZ2 4.36Å; L7-W17 HydrophobicContact CB-CZ3 3.39Å; L7-W17 HydrophobicContact CD2-CH2 3.51Å; L7-W17 HydrophobicContact CD2-CZ3 3.87Å; L7-W17 HydrophobicContact CG-CH2 3.9Å; L7-W17 HydrophobicContact CG-CZ3 4.23Å; Q15-W17 HydrophobicContact CB-CE3 4.03Å; Q15-W17 HydrophobicContact CB-CZ3 3.79Å; W17-L41 HydrophobicContact CB-CD2 4.23Å; W17-L41 HydrophobicContact CD2-CD2 4.16Å; W17-L41 HydrophobicContact CG-CD2 3.82Å; W17-L45 HydrophobicContact CE3-CD1 4.38Å; W17-L45 HydrophobicContact CH2-CD1 3.94Å; W17-L45 HydrophobicContact CZ3-CD1 3.82Å; W17-T78 HydrophobicContact CH2-CG2 3.96Å; W17-T78 HydrophobicContact CZ2-CG2 3.43Å; W17-T78 VanDerWaalsContact CZ2-CG2 3.43Å
18R83.9Confident69.4Low138 Ų13881.8 Ų81.852%0.52140%0.403SS..EExtended strand (participates in β ladder)trans-87.4146.3173.7-172.8-178.8169.9-178.3-6.2108.7Q38R18-Q38 PolarHBondContact O-NE2 3.3Å
19H80.9Confident69Low11 Ų1190 Ų905%0.05143%0.43CS..  trans-52.7157.4168.567.668.9000111.6R22 T71 S74H19-R22 PolarHBondContact CE1-NE 3.05Å; H19-R22 VanDerWaalsContact NE2-CZ 3.34Å; H19-R22 PolarHBondContact NE2-NE 2.77Å; H19-R22 VanDerWaalsContact NE2-NE 3.13Å; H19-R22 PolarHBondContact NE2-NH2 3.06Å; H19-T71 HydrophobicContact CB-CG2 4.36Å; H19-S74 WeakPolarHBondContact CB-OG 3.32Å
20G72.8Confident68.6Low9 Ų991.1 Ų91.19%0.09344%0.44CS..  trans-65.4-179.3-178.700000114.7Q38G20-Q38 VanDerWaalsContact N-NE2 3.2Å
21S72.8Confident68.9Low54 Ų5494.3 Ų94.338%0.37845%0.45SS..  trans-47.5139.2178.5-75.40000112.8E37S21-E37 WeakPolarHBondContact CB-OE2 3.45Å; S21-E37 PolarHBondContact N-OE2 3.36Å; S21-E37 VanDerWaalsContact OG-CD 3.24Å; S21-E37 PolarHBondContact OG-OE1 3.13Å; S21-E37 PolarHBondContact OG-OE2 3.29Å
22R65.2Low69.6Low127 Ų12793.4 Ų93.448%0.47944%0.441SS..  trans-101.9135177.5-61.4179.7178.2165.94.8108.8M1 H19M1-R22 PolarHBondContact O-NH2 3.03Å; M1-R22 VanDerWaalsContact O-NH2 3.15Å; H19-R22 PolarHBondContact CE1-NE 3.05Å; H19-R22 VanDerWaalsContact NE2-CZ 3.34Å; H19-R22 PolarHBondContact NE2-NE 2.77Å; H19-R22 VanDerWaalsContact NE2-NE 3.13Å; H19-R22 PolarHBondContact NE2-NH2 3.06Å
23A52.3Low70.5Confident44 Ų4490.5 Ų90.536%0.36443%0.426SS..  trans-114.4171.5132.700000108.9F25 A27 A30A23-F25 PolarHBondContact O-N 3.16Å; A23-A27 HydrophobicContact CB-CB 3.74Å; A23-A30 HydrophobicContact CB-CB 3.11Å
24L51.2Low70.8Confident131 Ų13187.4 Ų87.469%0.68641%0.414SS*.  trans-41.7136.8162.4-130.273.7000108.3I26 A27L24-I26 HydrophobicContact CB-CB 4.45Å; L24-I26 HydrophobicContact CB-CG1 4.42Å; L24-I26 HydrophobicContact CD2-CD1 3.69Å; L24-I26 HydrophobicContact CD2-CG1 3.98Å; L24-I26 HydrophobicContact CG-CG1 4.38Å; L24-I26 PolarHBondContact O-N 3.03Å; L24-A27 PolarHBondContact O-N 2.94Å
25F51.3Low71Confident157 Ų15782.7 Ų82.769%0.68940%0.4SS*.THydrogen-bonded Turntrans-50.9-14.4179.3-80.9-88.4000113.7A23 R70 M73A23-F25 PolarHBondContact O-N 3.16Å; F25-R70 HydrophobicContact CZ-CB 4.47Å; F25-M73 HydrophobicContact CE1-CE 4.29Å
26I50.7Low71.2Confident124 Ų12485.6 Ų85.664%0.63641%0.414SS*.THydrogen-bonded Turntrans-70.2-30.7174.5-46.3-169.1000113.2L24 H28L24-I26 HydrophobicContact CB-CB 4.45Å; L24-I26 HydrophobicContact CB-CG1 4.42Å; L24-I26 HydrophobicContact CD2-CD1 3.69Å; L24-I26 HydrophobicContact CD2-CG1 3.98Å; L24-I26 HydrophobicContact CG-CG1 4.38Å; L24-I26 PolarHBondContact O-N 3.03Å; I26-H28 PolarHBondContact O-N 2.77Å
27A60.2Low71.5Confident46 Ų4685.6 Ų85.638%0.3841%0.41SS..  trans-95.192.2-175.900000112.2A23 L24 R29 A30 F31A23-A27 HydrophobicContact CB-CB 3.74Å; L24-A27 PolarHBondContact O-N 2.94Å; A27-R29 PolarHBondContact O-N 3.33Å; A27-R29 VanDerWaalsContact O-N 3.12Å; A27-A30 PolarHBondContact O-N 3.43Å; A27-A30 VanDerWaalsContact O-N 3.13Å; A27-F31 PolarHBondContact O-N 3.02Å
28H62.2Low71.8Confident129 Ų12984.8 Ų84.860%0.59741%0.407SS*.Hα-helixtrans-47.4-40.1178.3-172.3-100.2000113.9I26 A30 F31 Q32I26-H28 PolarHBondContact O-N 2.77Å; H28-A30 PolarHBondContact O-N 3.05Å; H28-F31 WeakPolarHBondContact O-CB 3.3Å; H28-F31 PolarHBondContact O-N 3.41Å; H28-Q32 PolarHBondContact CE1-NE2 3.34Å; H28-Q32 PolarHBondContact O-N 3.01Å; H28-Q32 VanDerWaalsContact O-N 3.12Å
29R59.5Low72.1Confident212 Ų21283.7 Ų83.780%0.840%0.403SS*.Hα-helixtrans-62.1-40.8-178.7-72.5-173.9178.8177.80.3113.8A27 F31 Q32 K33A27-R29 PolarHBondContact O-N 3.33Å; A27-R29 VanDerWaalsContact O-N 3.12Å; R29-F31 VanDerWaalsContact C-N 3.33Å; R29-Q32 PolarHBondContact O-N 2.98Å; R29-K33 PolarHBondContact O-N 3.14Å
30A62.8Low72.6Confident24 Ų2487.8 Ų87.820%0.19843%0.425CS..Hα-helixtrans-75.5-29.3-178.200000111.9A23 A27 H28 K33 G34A23-A30 HydrophobicContact CB-CB 3.11Å; A27-A30 PolarHBondContact O-N 3.43Å; A27-A30 VanDerWaalsContact O-N 3.13Å; H28-A30 PolarHBondContact O-N 3.05Å; A30-K33 PolarHBondContact O-N 3.13Å; A30-G34 PolarHBondContact O-N 2.95Å
31F73.7Confident73.4Confident87 Ų8789.7 Ų89.738%0.38243%0.433SS..Hα-helixtrans-61.8-46.3170.5176.3-112.1000111A27 H28 R29 K33 G34 I35 M73A27-F31 PolarHBondContact O-N 3.02Å; H28-F31 WeakPolarHBondContact O-CB 3.3Å; H28-F31 PolarHBondContact O-N 3.41Å; R29-F31 VanDerWaalsContact C-N 3.33Å; F31-K33 PolarHBondContact O-N 2.66Å; F31-G34 PolarHBondContact O-N 3.38Å; F31-I35 HydrophobicContact CD1-CD1 3.76Å; F31-I35 HydrophobicContact CD2-CD1 4.31Å; F31-I35 HydrophobicContact CE1-CD1 3.26Å; F31-I35 HydrophobicContact CE1-CG1 4.41Å; F31-I35 HydrophobicContact CE2-CD1 3.84Å; F31-I35 HydrophobicContact CE2-CG1 4.18Å; F31-I35 HydrophobicContact CG-CD1 4.28Å; F31-I35 HydrophobicContact CZ-CD1 3.31Å; F31-I35 HydrophobicContact CZ-CG1 4.11Å; F31-I35 WeakPolarHBondContact O-CG1 3.41Å; F31-I35 PolarHBondContact O-N 2.95Å; F31-M73 HydrophobicContact CD2-CE 4.27Å; F31-M73 HydrophobicContact CE2-CB 4.46Å; F31-M73 HydrophobicContact CE2-CE 3.36Å; F31-M73 HydrophobicContact CE2-SD 3.47Å; F31-M73 WeakPolarHBondContact CE2-SD 3.46Å; F31-M73 HydrophobicContact CZ-CE 3.97Å; F31-M73 HydrophobicContact CZ-SD 3.4Å; F31-M73 WeakPolarHBondContact CZ-SD 3.35Å
32Q81.5Confident74.2Confident103 Ų10387.1 Ų87.148%0.48142%0.415SS..Hα-helixtrans-59.7-45.3174.5-69.6-179.9-34.200112.3H28 R29 G34 I35 Q36H28-Q32 PolarHBondContact CE1-NE2 3.34Å; H28-Q32 PolarHBondContact O-N 3.01Å; H28-Q32 VanDerWaalsContact O-N 3.12Å; R29-Q32 PolarHBondContact O-N 2.98Å; Q32-G34 VanDerWaalsContact C-N 3.35Å; Q32-G34 PolarHBondContact O-N 2.96Å; Q32-I35 PolarHBondContact O-N 3.07Å; Q32-Q36 PolarHBondContact O-N 3.33Å
33K86.3Confident75.4Confident121 Ų12184.2 Ų84.253%0.52641%0.407SS..Hα-helixtrans-58.4-46.6175.5-173.2-177.5178.8-1760111.6R29 A30 F31 I35 Q36 E37R29-K33 PolarHBondContact O-N 3.14Å; A30-K33 PolarHBondContact O-N 3.13Å; F31-K33 PolarHBondContact O-N 2.66Å; K33-I35 VanDerWaalsContact C-N 3.32Å; K33-I35 PolarHBondContact O-N 2.92Å; K33-Q36 PolarHBondContact O-N 3.2Å; K33-E37 VanDerWaalsContact CE-OE1 3.27Å; K33-E37 WeakPolarHBondContact CE-OE1 3.39Å; K33-E37 WeakPolarHBondContact O-CG 3.33Å; K33-E37 PolarHBondContact O-N 2.92Å
34G84.6Confident77.3Confident6 Ų687.3 Ų87.36%0.06241%0.412CS..Hα-helixtrans-61.7-3817800000113A30 F31 Q32 Q38A30-G34 PolarHBondContact O-N 2.95Å; F31-G34 PolarHBondContact O-N 3.38Å; Q32-G34 VanDerWaalsContact C-N 3.35Å; Q32-G34 PolarHBondContact O-N 2.96Å; G34-Q38 VanDerWaalsContact O-CG 3.25Å; G34-Q38 WeakPolarHBondContact O-CG 3.45Å; G34-Q38 PolarHBondContact O-N 3.04Å
35I85.9Confident79.1Confident60 Ų6081.4 Ų81.431%0.30838%0.381SS..Hα-helixtrans-63.9-47.6173.5-71.8163.8000110.9F31 Q32 K33 E37 Q38 R39 A77F31-I35 HydrophobicContact CD1-CD1 3.76Å; F31-I35 HydrophobicContact CD2-CD1 4.31Å; F31-I35 HydrophobicContact CE1-CD1 3.26Å; F31-I35 HydrophobicContact CE1-CG1 4.41Å; F31-I35 HydrophobicContact CE2-CD1 3.84Å; F31-I35 HydrophobicContact CE2-CG1 4.18Å; F31-I35 HydrophobicContact CG-CD1 4.28Å; F31-I35 HydrophobicContact CZ-CD1 3.31Å; F31-I35 HydrophobicContact CZ-CG1 4.11Å; F31-I35 WeakPolarHBondContact O-CG1 3.41Å; F31-I35 PolarHBondContact O-N 2.95Å; Q32-I35 PolarHBondContact O-N 3.07Å; K33-I35 VanDerWaalsContact C-N 3.32Å; K33-I35 PolarHBondContact O-N 2.92Å; I35-E37 VanDerWaalsContact C-N 3.35Å; I35-E37 PolarHBondContact O-N 2.93Å; I35-Q38 PolarHBondContact O-N 3.37Å; I35-Q38 VanDerWaalsContact O-N 3.13Å; I35-R39 PolarHBondContact O-N 3.27Å; I35-A77 HydrophobicContact CG2-CB 3.94Å
36Q89Confident80.8Confident125 Ų12575.9 Ų75.958%0.58436%0.357SS*.Hα-helixtrans-61.9-43.1-178.2-171.4176.218.800111.8Q32 K33 Q38 R39 L40Q32-Q36 PolarHBondContact O-N 3.33Å; K33-Q36 PolarHBondContact O-N 3.2Å; Q36-Q38 VanDerWaalsContact C-N 3.29Å; Q36-Q38 PolarHBondContact O-N 3.29Å; Q36-R39 PolarHBondContact O-N 3.21Å; Q36-L40 HydrophobicContact CG-CD1 4.37Å; Q36-L40 WeakPolarHBondContact O-CG 3.43Å; Q36-L40 PolarHBondContact O-N 2.88Å
37E90.2Very high82.6Confident62 Ų6276.5 Ų76.529%0.2936%0.358SS..Hα-helixtrans-56.7-43.2173.6-72.1168.2-179.700111.8S21 K33 I35 L41S21-E37 WeakPolarHBondContact CB-OE2 3.45Å; S21-E37 PolarHBondContact N-OE2 3.36Å; S21-E37 VanDerWaalsContact OG-CD 3.24Å; S21-E37 PolarHBondContact OG-OE1 3.13Å; S21-E37 PolarHBondContact OG-OE2 3.29Å; K33-E37 VanDerWaalsContact CE-OE1 3.27Å; K33-E37 WeakPolarHBondContact CE-OE1 3.39Å; K33-E37 WeakPolarHBondContact O-CG 3.33Å; K33-E37 PolarHBondContact O-N 2.92Å; I35-E37 VanDerWaalsContact C-N 3.35Å; I35-E37 PolarHBondContact O-N 2.93Å; E37-L41 WeakPolarHBondContact O-CB 3.44Å; E37-L41 PolarHBondContact O-N 2.91Å
38Q90.6Very high84Confident11 Ų1181.5 Ų81.55%0.05137%0.367CS..Hα-helixtrans-71.5-34.1179.6-68.2-63.4-67.700112.5R18 G20 G34 I35 Q36 L41 G42 A77 T78R18-Q38 PolarHBondContact O-NE2 3.3Å; G20-Q38 VanDerWaalsContact N-NE2 3.2Å; G34-Q38 VanDerWaalsContact O-CG 3.25Å; G34-Q38 WeakPolarHBondContact O-CG 3.45Å; G34-Q38 PolarHBondContact O-N 3.04Å; I35-Q38 PolarHBondContact O-N 3.37Å; I35-Q38 VanDerWaalsContact O-N 3.13Å; Q36-Q38 VanDerWaalsContact C-N 3.29Å; Q36-Q38 PolarHBondContact O-N 3.29Å; Q38-L41 WeakPolarHBondContact O-CB 3.4Å; Q38-L41 PolarHBondContact O-N 2.93Å; Q38-G42 PolarHBondContact O-N 3.36Å; Q38-A77 HydrophobicContact CB-CB 3.73Å; Q38-T78 VanDerWaalsContact O-CA 3.24Å; Q38-T78 WeakPolarHBondContact O-CA 3.28Å; Q38-T78 PolarHBondContact O-OG1 3.49Å; Q38-T78 PolarHBondContact OE1-OG1 2.78Å
39R89.8Confident85.2Confident114 Ų11475.9 Ų75.943%0.4334%0.34SS..Hα-helixtrans-64.5-48.8173-176.8-171.1163.495.65.8111.3I35 Q36 L41 G42 E43 A77I35-R39 PolarHBondContact O-N 3.27Å; Q36-R39 PolarHBondContact O-N 3.21Å; R39-L41 VanDerWaalsContact C-N 3.28Å; R39-L41 PolarHBondContact O-N 2.9Å; R39-G42 WeakPolarHBondContact O-CA 3.42Å; R39-G42 PolarHBondContact O-N 3.48Å; R39-E43 IonicContact CZ-OE1 2.78Å; R39-E43 IonicContact NE-OE1 3.82Å; R39-E43 PolarHBondContact NE-OE1 3.41Å; R39-E43 IonicContact NH2-OE1 3.16Å; R39-E43 PolarHBondContact NH2-OE1 2.95Å; R39-E43 VanDerWaalsContact NH2-OE1 3.16Å; R39-E43 PolarHBondContact O-N 3.33Å; R39-A77 WeakPolarHBondContact CA-O 3.37Å
40L91.4Very high86.4Confident97 Ų9773 Ų7351%0.50833%0.333SS..Hα-helixtrans-60.6-38.2176.7-70.7172.4000111.8Q36 G42 E43 F44Q36-L40 HydrophobicContact CG-CD1 4.37Å; Q36-L40 WeakPolarHBondContact O-CG 3.43Å; Q36-L40 PolarHBondContact O-N 2.88Å; L40-G42 VanDerWaalsContact C-N 3.29Å; L40-G42 PolarHBondContact O-N 3.37Å; L40-E43 PolarHBondContact O-N 2.88Å; L40-F44 WeakPolarHBondContact O-CB 3.5Å; L40-F44 PolarHBondContact O-N 2.84Å
41L91.3Very high87.4Confident50 Ų5080 Ų8026%0.26236%0.362SS..Hα-helixtrans-59.3-41.8170.8176.664.4000111.4W17 E37 Q38 R39 F44 L45W17-L41 HydrophobicContact CB-CD2 4.23Å; W17-L41 HydrophobicContact CD2-CD2 4.16Å; W17-L41 HydrophobicContact CG-CD2 3.82Å; E37-L41 WeakPolarHBondContact O-CB 3.44Å; E37-L41 PolarHBondContact O-N 2.91Å; Q38-L41 WeakPolarHBondContact O-CB 3.4Å; Q38-L41 PolarHBondContact O-N 2.93Å; R39-L41 VanDerWaalsContact C-N 3.28Å; R39-L41 PolarHBondContact O-N 2.9Å; L41-F44 PolarHBondContact O-N 2.93Å; L41-L45 HydrophobicContact CD1-CD1 4.43Å; L41-L45 HydrophobicContact CD1-CG 4.35Å; L41-L45 HydrophobicContact CG-CD1 4.15Å; L41-L45 WeakPolarHBondContact O-CB 3.33Å; L41-L45 VanDerWaalsContact O-CG 3.23Å; L41-L45 WeakPolarHBondContact O-CG 3.36Å; L41-L45 PolarHBondContact O-N 2.86Å
42G89.6Confident87.8Confident0 Ų079.9 Ų79.90%036%0.362CS..Hα-helixtrans-59.5-47174.100000112.9Q38 R39 L40 F44 L45 Q46 T78 G81 F82Q38-G42 PolarHBondContact O-N 3.36Å; R39-G42 WeakPolarHBondContact O-CA 3.42Å; R39-G42 PolarHBondContact O-N 3.48Å; L40-G42 VanDerWaalsContact C-N 3.29Å; L40-G42 PolarHBondContact O-N 3.37Å; G42-F44 VanDerWaalsContact C-N 3.33Å; G42-F44 PolarHBondContact O-N 3.24Å; G42-L45 PolarHBondContact O-N 3Å; G42-Q46 PolarHBondContact O-N 2.98Å; G42-T78 WeakPolarHBondContact CA-O 3.41Å; G42-G81 VanDerWaalsContact C-C 3.46Å; G42-G81 CarbonylContact C-O 3.5Å; G42-F82 WeakPolarHBondContact O-CA 3.44Å
43E90.1Very high87.6Confident65 Ų6575.5 Ų75.530%0.30434%0.341SS..Hα-helixtrans-61.6-41.9177.6-67.7172.7-173.300111.2R39 L40 Q46 Q47 G81R39-E43 IonicContact CZ-OE1 2.78Å; R39-E43 IonicContact NE-OE1 3.82Å; R39-E43 PolarHBondContact NE-OE1 3.41Å; R39-E43 IonicContact NH2-OE1 3.16Å; R39-E43 PolarHBondContact NH2-OE1 2.95Å; R39-E43 VanDerWaalsContact NH2-OE1 3.16Å; R39-E43 PolarHBondContact O-N 3.33Å; L40-E43 PolarHBondContact O-N 2.88Å; E43-Q46 PolarHBondContact O-N 3.49Å; E43-Q47 WeakPolarHBondContact O-CG 3.49Å; E43-Q47 PolarHBondContact O-N 3.45Å; E43-G81 WeakPolarHBondContact CA-O 3.26Å; E43-G81 PolarHBondContact N-O 2.84Å
44F91.2Very high86.9Confident110 Ų11075.4 Ų75.448%0.48235%0.351SS..Hα-helixtrans-62.1-44.9173.5172.4-98.2000112.5L40 L41 G42 Q46 Q47 R48L40-F44 WeakPolarHBondContact O-CB 3.5Å; L40-F44 PolarHBondContact O-N 2.84Å; L41-F44 PolarHBondContact O-N 2.93Å; G42-F44 VanDerWaalsContact C-N 3.33Å; G42-F44 PolarHBondContact O-N 3.24Å; F44-Q46 VanDerWaalsContact C-N 3.3Å; F44-Q46 PolarHBondContact O-N 3.38Å; F44-Q47 PolarHBondContact O-N 3.3Å; F44-R48 WeakPolarHBondContact O-CB 3.3Å; F44-R48 PolarHBondContact O-N 2.93Å
45L89Confident86.4Confident6 Ų680.1 Ų80.13%0.03138%0.375CS..Hα-helixtrans-63.6-38.6177.6-71.1170.9000111.1W17 L41 G42 R48 Y49 T78 F82W17-L45 HydrophobicContact CE3-CD1 4.38Å; W17-L45 HydrophobicContact CH2-CD1 3.94Å; W17-L45 HydrophobicContact CZ3-CD1 3.82Å; L41-L45 HydrophobicContact CD1-CD1 4.43Å; L41-L45 HydrophobicContact CD1-CG 4.35Å; L41-L45 HydrophobicContact CG-CD1 4.15Å; L41-L45 WeakPolarHBondContact O-CB 3.33Å; L41-L45 VanDerWaalsContact O-CG 3.23Å; L41-L45 WeakPolarHBondContact O-CG 3.36Å; L41-L45 PolarHBondContact O-N 2.86Å; G42-L45 PolarHBondContact O-N 3Å; L45-R48 PolarHBondContact O-N 3.46Å; L45-Y49 HydrophobicContact CB-CD2 4.42Å; L45-Y49 HydrophobicContact CD2-CD2 4.37Å; L45-Y49 HydrophobicContact CD2-CE2 3.81Å; L45-Y49 WeakPolarHBondContact O-CB 3.27Å; L45-Y49 WeakPolarHBondContact O-CD2 3.41Å; L45-Y49 PolarHBondContact O-N 3.39Å; L45-T78 HydrophobicContact CD1-CG2 3.99Å; L45-F82 HydrophobicContact CB-CD2 3.65Å; L45-F82 HydrophobicContact CB-CE2 3.85Å
46Q87Confident86Confident41 Ų4178.3 Ų78.319%0.19236%0.364CS..Hα-helixtrans-60.9-48.3175.5-179.2-116.955.700111.1G42 E43 F44 R48 Y49 K50 Y56 F82G42-Q46 PolarHBondContact O-N 2.98Å; E43-Q46 PolarHBondContact O-N 3.49Å; F44-Q46 VanDerWaalsContact C-N 3.3Å; F44-Q46 PolarHBondContact O-N 3.38Å; Q46-R48 VanDerWaalsContact C-N 3.31Å; Q46-R48 PolarHBondContact O-N 2.93Å; Q46-Y49 PolarHBondContact O-N 3.46Å; Q46-K50 WeakPolarHBondContact O-CA 3.49Å; Q46-K50 WeakPolarHBondContact O-CB 3.35Å; Q46-K50 PolarHBondContact O-N 3.12Å; Q46-Y56 WeakPolarHBondContact CG-OH 3.45Å; Q46-F82 HydrophobicContact CB-CD2 4.15Å; Q46-F82 WeakPolarHBondContact CB-O 3.47Å; Q46-F82 VanDerWaalsContact CG-O 3.28Å; Q46-F82 WeakPolarHBondContact CG-O 3.31Å
47Q89Confident85.3Confident137 Ų13773.5 Ų73.564%0.6435%0.345SS*.Hα-helixtrans-61.5-41.5177.2-69.8177.3-1.800111.7E43 F44E43-Q47 WeakPolarHBondContact O-CG 3.49Å; E43-Q47 PolarHBondContact O-N 3.45Å; F44-Q47 PolarHBondContact O-N 3.3Å
48R89.9Confident84.7Confident151 Ų15174.6 Ų74.657%0.5736%0.355SS*.Hα-helixtrans-65.4-38.4179.5-177.8177.3-177.781.31.6113.1F44 L45 Q46F44-R48 WeakPolarHBondContact O-CB 3.3Å; F44-R48 PolarHBondContact O-N 2.93Å; L45-R48 PolarHBondContact O-N 3.46Å; Q46-R48 VanDerWaalsContact C-N 3.31Å; Q46-R48 PolarHBondContact O-N 2.93Å
49Y86.5Confident84.1Confident12 Ų1282.6 Ų82.65%0.04739%0.393CS..Hα-helixtrans-102.89.1-176.3-65.5-68.1000113.7V9 K13 Q15 L45 Q46 E51 F52 M53 F82V9-Y49 HydrophobicContact CG1-CD1 4.42Å; V9-Y49 HydrophobicContact CG1-CG 4.17Å; K13-Y49 HydrophobicContact CD-CD1 4.43Å; K13-Y49 HydrophobicContact CD-CE1 3.92Å; Q15-Y49 HydrophobicContact CG-CE2 4.11Å; Q15-Y49 WeakPolarHBondContact CG-OH 3.45Å; Q15-Y49 PolarHBondContact NE2-OH 3.39Å; L45-Y49 HydrophobicContact CB-CD2 4.42Å; L45-Y49 HydrophobicContact CD2-CD2 4.37Å; L45-Y49 HydrophobicContact CD2-CE2 3.81Å; L45-Y49 WeakPolarHBondContact O-CB 3.27Å; L45-Y49 WeakPolarHBondContact O-CD2 3.41Å; L45-Y49 PolarHBondContact O-N 3.39Å; Q46-Y49 PolarHBondContact O-N 3.46Å; Y49-E51 PolarHBondContact O-N 3.42Å; Y49-E51 VanDerWaalsContact O-N 3.13Å; Y49-F52 HydrophobicContact CD1-CD2 4.07Å; Y49-F52 PolarHBondContact O-N 3.32Å; Y49-M53 WeakPolarHBondContact O-CB 3.12Å; Y49-M53 WeakPolarHBondContact O-CG 3.38Å; Y49-M53 PolarHBondContact O-N 3.05Å; Y49-F82 HydrophobicContact CD2-CE2 4.45Å
50K84.2Confident83.7Confident150 Ų15078.8 Ų78.865%0.65238%0.382SS*.THydrogen-bonded Turntrans-52.2-38.4-177.3-171179.5178.5-175.80113.3Q46Q46-K50 WeakPolarHBondContact O-CA 3.49Å; Q46-K50 WeakPolarHBondContact O-CB 3.35Å; Q46-K50 PolarHBondContact O-N 3.12Å
51E83.7Confident83.3Confident172 Ų17274.4 Ų74.480%0.80436%0.359SS*.THydrogen-bonded Turntrans-73.9-27.8178.8-63.3178.9174.700113.4Y49Y49-E51 PolarHBondContact O-N 3.42Å; Y49-E51 VanDerWaalsContact O-N 3.13Å
52F82.7Confident83Confident84 Ų8476.5 Ų76.537%0.36837%0.365SS..THydrogen-bonded Turntrans-90.2-18.7-179.8-59.8-75.4000112.4Y49Y49-F52 HydrophobicContact CD1-CD2 4.07Å; Y49-F52 PolarHBondContact O-N 3.32Å
53M77.6Confident82.9Confident11 Ų1176.6 Ų76.65%0.05437%0.365CS..  trans-110.188-172-66.4-58.7-73.800110.4V9 A10 Y49 Y56 I61 F82V9-M53 HydrophobicContact CG1-CE 4.14Å; V9-M53 HydrophobicContact CG1-CG 3.8Å; V9-M53 HydrophobicContact CG1-SD 3.27Å; V9-M53 WeakPolarHBondContact CG1-SD 3.44Å; A10-M53 HydrophobicContact CB-SD 4.11Å; Y49-M53 WeakPolarHBondContact O-CB 3.12Å; Y49-M53 WeakPolarHBondContact O-CG 3.38Å; Y49-M53 PolarHBondContact O-N 3.05Å; M53-Y56 HydrophobicContact CE-CD1 4.33Å; M53-Y56 HydrophobicContact CE-CE1 4.48Å; M53-I61 HydrophobicContact CE-CD1 3.37Å; M53-I61 HydrophobicContact CE-CG1 3.23Å; M53-F82 HydrophobicContact CE-CE1 3.99Å; M53-F82 HydrophobicContact CE-CZ 4.15Å; M53-F82 HydrophobicContact CG-CZ 4.23Å
54T72.1Confident82.8Confident119 Ų11976 Ų7673%0.7336%0.36SS*.SBendtrans-86.3-34.1174.149.80000112
55N74.7Confident82.6Confident106 Ų10670.8 Ų70.857%0.56734%0.337SS*.  trans-128.1135.7-179.6-65.3-38.3000110S57 T60N55-S57 PolarHBondContact O-N 3.42Å; N55-T60 PolarHBondContact O-OG1 3.12Å
56Y76.7Confident82.3Confident22 Ų2270.5 Ų70.59%0.08634%0.336CS..  trans-96.342.9-179.7-72.1-91.3000112.5Q46 M53 I61 F82 I83 P84 A87 Q99Q46-Y56 WeakPolarHBondContact CG-OH 3.45Å; M53-Y56 HydrophobicContact CE-CD1 4.33Å; M53-Y56 HydrophobicContact CE-CE1 4.48Å; Y56-I61 HydrophobicContact CD1-CD1 3.71Å; Y56-I61 HydrophobicContact CG-CD1 4.36Å; Y56-F82 HydrophobicContact CD1-CD1 4.25Å; Y56-F82 HydrophobicContact CD1-CE1 4.05Å; Y56-F82 AromaticContact CE1-CD1 3.96Å; Y56-F82 HydrophobicContact CE1-CD1 3.96Å; Y56-F82 AromaticContact CE1-CE1 3.73Å; Y56-F82 HydrophobicContact CE1-CE1 3.73Å; Y56-F82 HydrophobicContact CE1-CZ 4.4Å; Y56-F82 WeakPolarHBondContact CE1-O 3.35Å; Y56-I83 HydrophobicContact CD1-CG1 4.19Å; Y56-P84 HydrophobicContact CE2-CG 3.86Å; Y56-A87 HydrophobicContact CD2-CB 3.87Å; Y56-A87 HydrophobicContact CE2-CB 4.33Å; Y56-Q99 VanDerWaalsContact C-CD 3.49Å; Y56-Q99 VanDerWaalsContact O-CG 3.3Å; Y56-Q99 WeakPolarHBondContact O-CG 3.4Å; Y56-Q99 PolarHBondContact O-NE2 3.23Å; Y56-Q99 PolarHBondContact O-OE1 2.81Å
57S75Confident82.2Confident24 Ų2471.1 Ų71.117%0.16834%0.34CS..  trans-85.9161.9-176.1770000113.7N55 E59 T60 I61N55-S57 PolarHBondContact O-N 3.42Å; S57-E59 PolarHBondContact O-N 3.31Å; S57-E59 VanDerWaalsContact O-N 3.14Å; S57-E59 PolarHBondContact OG-N 3.13Å; S57-T60 PolarHBondContact N-OG1 2.92Å; S57-T60 PolarHBondContact O-N 3.46Å; S57-T60 PolarHBondContact O-OG1 3.48Å; S57-T60 PolarHBondContact OG-N 3.45Å; S57-I61 PolarHBondContact O-N 3.34Å
58T77.1Confident81.8Confident84 Ų8465.2 Ų65.252%0.51531%0.314SS..THydrogen-bonded Turntrans-62.4-15.4172.155.70000113.5P102T58-P102 VanDerWaalsContact CG2-CD 3.46Å; T58-P102 HydrophobicContact CG2-CG 4.15Å
59E78.8Confident81.5Confident179 Ų17963.3 Ų63.384%0.83632%0.316SS*.THydrogen-bonded Turntrans-80.1-32.5173.8-57.1175.4167.700111.4S57S57-E59 PolarHBondContact O-N 3.31Å; S57-E59 VanDerWaalsContact O-N 3.14Å; S57-E59 PolarHBondContact OG-N 3.13Å
60T80.2Confident81.2Confident35 Ų3564.8 Ų64.822%0.21532%0.321CS..THydrogen-bonded Turntrans-90.1-28.4-178.858.60000113.6A10 N55 S57A10-T60 WeakPolarHBondContact CA-O 3.25Å; A10-T60 PolarHBondContact N-O 3.25Å; N55-T60 PolarHBondContact O-OG1 3.12Å; S57-T60 PolarHBondContact N-OG1 2.92Å; S57-T60 PolarHBondContact O-N 3.46Å; S57-T60 PolarHBondContact O-OG1 3.48Å; S57-T60 PolarHBondContact OG-N 3.45Å
61I82.7Confident81.2Confident4 Ų457.7 Ų57.72%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-123.5121.5-173.9-56.5164.4000109.3L7 M53 Y56 S57 V63 F82 I101L7-I61 HydrophobicContact CD1-CG2 3.71Å; M53-I61 HydrophobicContact CE-CD1 3.37Å; M53-I61 HydrophobicContact CE-CG1 3.23Å; Y56-I61 HydrophobicContact CD1-CD1 3.71Å; Y56-I61 HydrophobicContact CG-CD1 4.36Å; S57-I61 PolarHBondContact O-N 3.34Å; I61-V63 HydrophobicContact CG2-CG2 4.05Å; I61-F82 HydrophobicContact CD1-CD1 4.34Å; I61-F82 HydrophobicContact CD1-CE1 3.77Å; I61-F82 HydrophobicContact CG1-CE1 4.36Å; I61-I101 HydrophobicContact CB-CD1 4.13Å; I61-I101 HydrophobicContact CB-CG2 4.34Å; I61-I101 HydrophobicContact CD1-CD1 3.38Å; I61-I101 HydrophobicContact CG1-CD1 4.35Å; I61-I101 HydrophobicContact CG2-CD1 4Å; I61-I101 HydrophobicContact CG2-CG2 3.92Å
62Y85.9Confident81.3Confident95 Ų9551.3 Ų51.337%0.37326%0.261SS..EExtended strand (participates in β ladder)trans-118.9117.2173.4176.7-98.2000110.1T8 R64 H104T8-Y62 PolarHBondContact N-O 2.98Å; T8-Y62 PolarHBondContact O-N 3.44Å; Y62-R64 HydrophobicContact CD1-CB 4.49Å; Y62-R64 HydrophobicContact CE1-CB 3.68Å; Y62-H104 AromaticContact CD2-CD2 3.59Å; Y62-H104 AromaticContact CD2-NE2 3.85Å; Y62-H104 HydrophobicContact CE2-CB 4.3Å; Y62-H104 AromaticContact CE2-CD2 3.12Å; Y62-H104 WeakPolarHBondContact CE2-CD2 3.39Å; Y62-H104 AromaticContact CE2-CG 3.69Å; Y62-H104 AromaticContact CE2-NE2 3.56Å; Y62-H104 AromaticContact CZ-CD2 3.86Å
63V87.3Confident81.5Confident1 Ų150.1 Ų50.11%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-108.5126.8177.6-1700000109.5L5 L7 I61 I79 I101 I103 H104L5-V63 HydrophobicContact CD1-CG1 4.2Å; L7-V63 HydrophobicContact CD1-CB 4.13Å; L7-V63 HydrophobicContact CD1-CG1 4.39Å; L7-V63 HydrophobicContact CD1-CG2 3.3Å; I61-V63 HydrophobicContact CG2-CG2 4.05Å; V63-I79 HydrophobicContact CB-CD1 4.2Å; V63-I79 HydrophobicContact CG1-CD1 4.16Å; V63-I79 HydrophobicContact CG2-CD1 3.57Å; V63-I79 HydrophobicContact CG2-CG1 4Å; V63-I101 HydrophobicContact CG2-CG2 3.71Å; V63-I103 HydrophobicContact CB-CG1 4.29Å; V63-I103 HydrophobicContact CG1-CG1 4.06Å; V63-I103 HydrophobicContact CG1-CG2 4.19Å; V63-H104 PolarHBondContact O-CD2 2.97Å; V63-H104 PolarHBondContact O-N 3.42Å
64R87.6Confident81.9Confident52 Ų5250.2 Ų50.220%0.19626%0.259CS..EExtended strand (participates in β ladder)trans-124.6129174.3175-178.6170-171.2-5.5111.4L5 F6 Y62 H104 T106 D111L5-R64 VanDerWaalsContact CD1-O 3.28Å; L5-R64 WeakPolarHBondContact CD1-O 3.38Å; F6-R64 HydrophobicContact CB-CB 4.3Å; F6-R64 HydrophobicContact CD1-CB 4.43Å; F6-R64 PolarHBondContact N-O 2.97Å; F6-R64 PolarHBondContact O-N 2.68Å; F6-R64 VanDerWaalsContact O-O 3.05Å; Y62-R64 HydrophobicContact CD1-CB 4.49Å; Y62-R64 HydrophobicContact CE1-CB 3.68Å; R64-H104 CarbonylContact C-O 3.5Å; R64-H104 VanDerWaalsContact CA-O 3.3Å; R64-H104 WeakPolarHBondContact CA-O 3.26Å; R64-T106 PolarHBondContact NE-OG1 3.05Å; R64-D111 IonicContact CZ-OD1 3.91Å; R64-D111 IonicContact NH2-OD1 2.84Å; R64-D111 PolarHBondContact NH2-OD1 3.25Å
65S86.5Confident82.7Confident1 Ų144.5 Ų44.51%0.00722%0.224CC..EExtended strand (participates in β ladder)trans-117.4153.1174.671.80000112.8I72 I103 H104 R105 T106S65-I72 WeakPolarHBondContact OG-CG1 3.23Å; S65-I103 VanDerWaalsContact OG-CG2 3.31Å; S65-I103 WeakPolarHBondContact OG-CG2 3.33Å; S65-H104 PolarHBondContact N-O 3.12Å; S65-R105 WeakPolarHBondContact O-CA 3.24Å; S65-T106 PolarHBondContact O-N 2.97Å
66S83.7Confident83.3Confident1 Ų144 Ų441%0.00722%0.221CC..EExtended strand (participates in β ladder)trans-70.7147.8161.656.20000109.8S68 T71S66-S68 PolarHBondContact O-N 3.44Å; S66-T71 PolarHBondContact O-OG1 3.16Å; S66-T71 WeakPolarHBondContact OG-CG2 3.43Å; S66-T71 PolarHBondContact OG-OG1 3.03Å
67D84.2Confident83.9Confident53 Ų5343.3 Ų43.328%0.28322%0.219SC..SBendtrans-69.377.6-179.1-169.133.6000111.8R105 T106 L108D67-R105 IonicContact OD1-CZ 2.95Å; D67-R105 IonicContact OD1-NH1 3.78Å; D67-R105 PolarHBondContact OD1-NH1 2.78Å; D67-R105 IonicContact OD2-NH1 3.45Å; D67-T106 WeakPolarHBondContact CB-O 3.48Å; D67-T106 PolarHBondContact N-O 2.88Å; D67-T106 VanDerWaalsContact N-O 3.12Å; D67-L108 HydrophobicContact CB-CG 4.46Å
68S80.6Confident84.6Confident13 Ų1342.2 Ų42.29%0.09121%0.212CC..SBendtrans-152.1134176.8-171.60000110.3R3 S66 R70 T71 I72R3-S68 PolarHBondContact NH1-OG 3.23Å; S66-S68 PolarHBondContact O-N 3.44Å; S68-R70 PolarHBondContact O-N 3.13Å; S68-R70 PolarHBondContact OG-NH1 3.42Å; S68-T71 WeakPolarHBondContact CB-OG1 3.32Å; S68-T71 PolarHBondContact O-N 3.21Å; S68-T71 PolarHBondContact O-OG1 2.98Å; S68-I72 WeakPolarHBondContact O-CG1 3.48Å; S68-I72 PolarHBondContact O-N 3.49Å
69N83.5Confident85.1Confident112 Ų11239.2 Ų39.260%0.59919%0.193SC*.Hα-helixtrans-51.1-40.9-179.7-59.50.5000112.1T71 I72 M73N69-T71 PolarHBondContact O-N 2.88Å; N69-I72 PolarHBondContact O-N 2.99Å; N69-M73 HydrophobicContact CB-CE 4.18Å; N69-M73 VanDerWaalsContact O-CB 3.29Å; N69-M73 WeakPolarHBondContact O-CB 3.2Å; N69-M73 WeakPolarHBondContact O-CE 3.4Å; N69-M73 WeakPolarHBondContact O-CG 3.49Å; N69-M73 PolarHBondContact O-N 2.91Å
70R80.8Confident85.4Confident43 Ų4333.5 Ų33.516%0.16217%0.172CC..Hα-helixtrans-64.3-38.1-179.574179.3172.3-91.422.1114.3R3 F25 S68 S74R3-R70 VanDerWaalsContact CD-CZ 3.4Å; F25-R70 HydrophobicContact CZ-CB 4.47Å; S68-R70 PolarHBondContact O-N 3.13Å; S68-R70 PolarHBondContact OG-NH1 3.42Å; R70-S74 VanDerWaalsContact O-CB 3.24Å; R70-S74 WeakPolarHBondContact O-CB 3.47Å; R70-S74 PolarHBondContact O-N 3.5Å; R70-S74 PolarHBondContact O-OG 3.07Å
71T83.7Confident85.7Confident0 Ų032 Ų320%016%0.164CC..Hα-helixtrans-79.5-36.2-178.338.70000110.1R3 H19 S66 S68 N69 G75R3-T71 HydrophobicContact CB-CG2 3.79Å; H19-T71 HydrophobicContact CB-CG2 4.36Å; S66-T71 PolarHBondContact O-OG1 3.16Å; S66-T71 WeakPolarHBondContact OG-CG2 3.43Å; S66-T71 PolarHBondContact OG-OG1 3.03Å; S68-T71 WeakPolarHBondContact CB-OG1 3.32Å; S68-T71 PolarHBondContact O-N 3.21Å; S68-T71 PolarHBondContact O-OG1 2.98Å; N69-T71 PolarHBondContact O-N 2.88Å; T71-G75 PolarHBondContact O-N 3.26Å
72I85.8Confident85.9Confident38 Ų3832 Ų3220%0.19516%0.164CC..Hα-helixtrans-62.3-52.8171.9-66.2161.6000110.1S65 S68 N69 S74 G75 L76S65-I72 WeakPolarHBondContact OG-CG1 3.23Å; S68-I72 WeakPolarHBondContact O-CG1 3.48Å; S68-I72 PolarHBondContact O-N 3.49Å; N69-I72 PolarHBondContact O-N 2.99Å; I72-S74 VanDerWaalsContact C-N 3.34Å; I72-S74 PolarHBondContact O-N 3.41Å; I72-G75 PolarHBondContact O-N 2.81Å; I72-G75 VanDerWaalsContact O-N 3.1Å; I72-L76 HydrophobicContact CG2-CD1 4.12Å; I72-L76 WeakPolarHBondContact O-CG 3.16Å; I72-L76 PolarHBondContact O-N 3.4Å
73M86.3Confident85.7Confident59 Ų5928.3 Ų28.329%0.29115%0.151SC..Hα-helixtrans-61.8-40.3178.8-69.5-178.6-56.900112.5F25 F31 N69 G75 L76 A77F25-M73 HydrophobicContact CE1-CE 4.29Å; F31-M73 HydrophobicContact CD2-CE 4.27Å; F31-M73 HydrophobicContact CE2-CB 4.46Å; F31-M73 HydrophobicContact CE2-CE 3.36Å; F31-M73 HydrophobicContact CE2-SD 3.47Å; F31-M73 WeakPolarHBondContact CE2-SD 3.46Å; F31-M73 HydrophobicContact CZ-CE 3.97Å; F31-M73 HydrophobicContact CZ-SD 3.4Å; F31-M73 WeakPolarHBondContact CZ-SD 3.35Å; N69-M73 HydrophobicContact CB-CE 4.18Å; N69-M73 VanDerWaalsContact O-CB 3.29Å; N69-M73 WeakPolarHBondContact O-CB 3.2Å; N69-M73 WeakPolarHBondContact O-CE 3.4Å; N69-M73 WeakPolarHBondContact O-CG 3.49Å; N69-M73 PolarHBondContact O-N 2.91Å; M73-G75 VanDerWaalsContact C-N 3.32Å; M73-G75 PolarHBondContact O-N 2.91Å; M73-L76 PolarHBondContact O-N 2.73Å; M73-A77 WeakPolarHBondContact O-CB 3.29Å; M73-A77 PolarHBondContact O-N 3.44Å
74S87.9Confident85.1Confident13 Ų1329.5 Ų29.59%0.09116%0.158CC..Hα-helixtrans-62.7-41.4174-64.10000111.4H19 R70 I72 A77 T78H19-S74 WeakPolarHBondContact CB-OG 3.32Å; R70-S74 VanDerWaalsContact O-CB 3.24Å; R70-S74 WeakPolarHBondContact O-CB 3.47Å; R70-S74 PolarHBondContact O-N 3.5Å; R70-S74 PolarHBondContact O-OG 3.07Å; I72-S74 VanDerWaalsContact C-N 3.34Å; I72-S74 PolarHBondContact O-N 3.41Å; S74-A77 PolarHBondContact O-N 3.01Å; S74-T78 PolarHBondContact O-N 3.41Å; S74-T78 PolarHBondContact O-OG1 2.81Å; S74-T78 VanDerWaalsContact O-OG1 3.07Å
75G88.3Confident84.2Confident0 Ų031.9 Ų31.90%018%0.181CC..Hα-helixtrans-65.3-41.7176.600000113.3T71 I72 M73 A77 T78 I79T71-G75 PolarHBondContact O-N 3.26Å; I72-G75 PolarHBondContact O-N 2.81Å; I72-G75 VanDerWaalsContact O-N 3.1Å; M73-G75 VanDerWaalsContact C-N 3.32Å; M73-G75 PolarHBondContact O-N 2.91Å; G75-A77 VanDerWaalsContact C-N 3.33Å; G75-A77 PolarHBondContact O-N 3.06Å; G75-T78 PolarHBondContact O-N 3.1Å; G75-I79 WeakPolarHBondContact O-CB 3.24Å; G75-I79 VanDerWaalsContact O-CG1 3.26Å; G75-I79 WeakPolarHBondContact O-CG1 3.39Å; G75-I79 PolarHBondContact O-N 2.99Å
76L87.7Confident83.1Confident96 Ų9636 Ų3650%0.50321%0.209SC..Hα-helixtrans-59.9-45.4173.3-70.2170.5000111I72 M73 T78 I79 S80 I103I72-L76 HydrophobicContact CG2-CD1 4.12Å; I72-L76 WeakPolarHBondContact O-CG 3.16Å; I72-L76 PolarHBondContact O-N 3.4Å; M73-L76 PolarHBondContact O-N 2.73Å; L76-T78 PolarHBondContact O-N 2.9Å; L76-I79 PolarHBondContact O-N 2.82Å; L76-S80 WeakPolarHBondContact O-CB 3.28Å; L76-S80 PolarHBondContact O-N 2.78Å; L76-I103 HydrophobicContact CB-CD1 4.37Å; L76-I103 HydrophobicContact CD2-CD1 3.56Å; L76-I103 HydrophobicContact CD2-CG1 4.4Å; L76-I103 HydrophobicContact CG-CD1 3.63Å
77A88.8Confident81.9Confident6 Ų637.5 Ų37.55%0.0522%0.221CC..Hα-helixtrans-61.3-44.3176.800000112I35 Q38 R39 M73 S74 G75 S80 G81I35-A77 HydrophobicContact CG2-CB 3.94Å; Q38-A77 HydrophobicContact CB-CB 3.73Å; R39-A77 WeakPolarHBondContact CA-O 3.37Å; M73-A77 WeakPolarHBondContact O-CB 3.29Å; M73-A77 PolarHBondContact O-N 3.44Å; S74-A77 PolarHBondContact O-N 3.01Å; G75-A77 VanDerWaalsContact C-N 3.33Å; G75-A77 PolarHBondContact O-N 3.06Å; A77-S80 PolarHBondContact O-N 2.85Å; A77-S80 PolarHBondContact O-OG 2.94Å; A77-G81 PolarHBondContact O-N 2.87Å
78T89.4Confident80.7Confident2 Ų236.6 Ų36.61%0.01222%0.216CC..Hα-helixtrans-63.9-44.5176.2-560000112.4W17 Q38 G42 L45 S74 G75 L76 S80 G81 F82W17-T78 HydrophobicContact CH2-CG2 3.96Å; W17-T78 HydrophobicContact CZ2-CG2 3.43Å; W17-T78 VanDerWaalsContact CZ2-CG2 3.43Å; Q38-T78 VanDerWaalsContact O-CA 3.24Å; Q38-T78 WeakPolarHBondContact O-CA 3.28Å; Q38-T78 PolarHBondContact O-OG1 3.49Å; Q38-T78 PolarHBondContact OE1-OG1 2.78Å; G42-T78 WeakPolarHBondContact CA-O 3.41Å; L45-T78 HydrophobicContact CD1-CG2 3.99Å; S74-T78 PolarHBondContact O-N 3.41Å; S74-T78 PolarHBondContact O-OG1 2.81Å; S74-T78 VanDerWaalsContact O-OG1 3.07Å; G75-T78 PolarHBondContact O-N 3.1Å; L76-T78 PolarHBondContact O-N 2.9Å; T78-S80 VanDerWaalsContact C-N 3.27Å; T78-S80 PolarHBondContact O-N 3.31Å; T78-G81 PolarHBondContact O-N 3.03Å; T78-F82 VanDerWaalsContact O-CB 3.3Å; T78-F82 WeakPolarHBondContact O-CB 3.5Å; T78-F82 PolarHBondContact O-N 2.82Å
79I87.2Confident79.3Confident21 Ų2140.2 Ų40.211%0.10824%0.242CC..Hα-helixtrans-59.6-40.9176-68.9169.6000110.7V63 G75 L76 G81 F82 I83 I101 I103V63-I79 HydrophobicContact CB-CD1 4.2Å; V63-I79 HydrophobicContact CG1-CD1 4.16Å; V63-I79 HydrophobicContact CG2-CD1 3.57Å; V63-I79 HydrophobicContact CG2-CG1 4Å; G75-I79 WeakPolarHBondContact O-CB 3.24Å; G75-I79 VanDerWaalsContact O-CG1 3.26Å; G75-I79 WeakPolarHBondContact O-CG1 3.39Å; G75-I79 PolarHBondContact O-N 2.99Å; L76-I79 PolarHBondContact O-N 2.82Å; I79-G81 VanDerWaalsContact C-N 3.25Å; I79-G81 PolarHBondContact O-N 2.74Å; I79-F82 PolarHBondContact O-N 2.85Å; I79-I83 HydrophobicContact CG2-CD1 3.69Å; I79-I83 HydrophobicContact CG2-CG1 4.18Å; I79-I83 PolarHBondContact O-N 2.86Å; I79-I101 HydrophobicContact CD1-CB 4.4Å; I79-I101 HydrophobicContact CD1-CG2 4.38Å; I79-I101 HydrophobicContact CG2-CB 4.25Å; I79-I101 HydrophobicContact CG2-CD1 4.28Å; I79-I103 HydrophobicContact CD1-CD1 3.74Å; I79-I103 HydrophobicContact CD1-CG1 3.55Å
80S86Confident77.9Confident58 Ų5842.3 Ų42.341%0.40625%0.25SS..Hα-helixtrans-63.2-28179.9790000114.2L76 A77 T78L76-S80 WeakPolarHBondContact O-CB 3.28Å; L76-S80 PolarHBondContact O-N 2.78Å; A77-S80 PolarHBondContact O-N 2.85Å; A77-S80 PolarHBondContact O-OG 2.94Å; T78-S80 VanDerWaalsContact C-N 3.27Å; T78-S80 PolarHBondContact O-N 3.31Å
81G86.4Confident76.4Confident5 Ų545.2 Ų45.25%0.05227%0.269CS..Hα-helixtrans-88.2-25.1171.800000113G42 E43 A77 T78 I79G42-G81 VanDerWaalsContact C-C 3.46Å; G42-G81 CarbonylContact C-O 3.5Å; E43-G81 WeakPolarHBondContact CA-O 3.26Å; E43-G81 PolarHBondContact N-O 2.84Å; A77-G81 PolarHBondContact O-N 2.87Å; T78-G81 PolarHBondContact O-N 3.03Å; I79-G81 VanDerWaalsContact C-N 3.25Å; I79-G81 PolarHBondContact O-N 2.74Å
82F86.4Confident74.9Confident4 Ų449.5 Ų49.52%0.01831%0.313CS..Hα-helixtrans-76.5-34.3-177.3-173.5-102.4000113.3V9 G42 L45 Q46 Y49 M53 Y56 I61 T78 I79V9-F82 HydrophobicContact CG1-CZ 4.37Å; V9-F82 HydrophobicContact CG2-CZ 4.37Å; G42-F82 WeakPolarHBondContact O-CA 3.44Å; L45-F82 HydrophobicContact CB-CD2 3.65Å; L45-F82 HydrophobicContact CB-CE2 3.85Å; Q46-F82 HydrophobicContact CB-CD2 4.15Å; Q46-F82 WeakPolarHBondContact CB-O 3.47Å; Q46-F82 VanDerWaalsContact CG-O 3.28Å; Q46-F82 WeakPolarHBondContact CG-O 3.31Å; Y49-F82 HydrophobicContact CD2-CE2 4.45Å; M53-F82 HydrophobicContact CE-CE1 3.99Å; M53-F82 HydrophobicContact CE-CZ 4.15Å; M53-F82 HydrophobicContact CG-CZ 4.23Å; Y56-F82 HydrophobicContact CD1-CD1 4.25Å; Y56-F82 HydrophobicContact CD1-CE1 4.05Å; Y56-F82 AromaticContact CE1-CD1 3.96Å; Y56-F82 HydrophobicContact CE1-CD1 3.96Å; Y56-F82 AromaticContact CE1-CE1 3.73Å; Y56-F82 HydrophobicContact CE1-CE1 3.73Å; Y56-F82 HydrophobicContact CE1-CZ 4.4Å; Y56-F82 WeakPolarHBondContact CE1-O 3.35Å; I61-F82 HydrophobicContact CD1-CD1 4.34Å; I61-F82 HydrophobicContact CD1-CE1 3.77Å; I61-F82 HydrophobicContact CG1-CE1 4.36Å; T78-F82 VanDerWaalsContact O-CB 3.3Å; T78-F82 WeakPolarHBondContact O-CB 3.5Å; T78-F82 PolarHBondContact O-N 2.82Å; I79-F82 PolarHBondContact O-N 2.85Å
83I81.1Confident73.5Confident17 Ų1752.9 Ų52.99%0.08733%0.331CS..SBendtrans-91.2120.3178.9-53.9174.6000109.1Y56 I79 A87 L88 I101Y56-I83 HydrophobicContact CD1-CG1 4.19Å; I79-I83 HydrophobicContact CG2-CD1 3.69Å; I79-I83 HydrophobicContact CG2-CG1 4.18Å; I79-I83 PolarHBondContact O-N 2.86Å; I83-A87 HydrophobicContact CG2-CB 4.37Å; I83-L88 HydrophobicContact CG2-CD2 4.02Å; I83-L88 HydrophobicContact CG2-CG 4.29Å; I83-I101 HydrophobicContact CD1-CD1 3.38Å; I83-I101 HydrophobicContact CD1-CG1 3.71Å; I83-I101 HydrophobicContact CG1-CD1 3.82Å
84P75Confident71.7Confident25 Ų2553.9 Ų53.916%0.16235%0.349CS..  trans-68142.1175.324.8-28.8000111Y56 S86 A87Y56-P84 HydrophobicContact CE2-CG 3.86Å; P84-S86 PolarHBondContact O-N 2.76Å; P84-A87 HydrophobicContact CG-CB 3.87Å; P84-A87 PolarHBondContact O-N 3.46Å
85P68.7Low70Confident103 Ų10362.5 Ų62.567%0.66939%0.385SS*.Hα-helixtrans-56-23.8172.6-24.132.9000113.7L88 S89P85-L88 WeakPolarHBondContact O-CB 3.3Å; P85-L88 PolarHBondContact O-N 2.85Å; P85-S89 PolarHBondContact O-N 3.11Å
86S64.2Low67.9Low87 Ų8764.8 Ų64.861%0.60840%0.401SS*.Hα-helixtrans-71.7-29.1177-50.50000113.6P84 L88P84-S86 PolarHBondContact O-N 2.76Å; S86-L88 PolarHBondContact O-N 3.39Å
87A58.7Low65.8Low32 Ų3261.4 Ų61.426%0.26439%0.387SS..Hα-helixtrans-73.2-23.6175.800000112Y56 I83 P84Y56-A87 HydrophobicContact CD2-CB 3.87Å; Y56-A87 HydrophobicContact CE2-CB 4.33Å; I83-A87 HydrophobicContact CG2-CB 4.37Å; P84-A87 HydrophobicContact CG-CB 3.87Å; P84-A87 PolarHBondContact O-N 3.46Å
88L57.8Low64.1Low34 Ų3469.1 Ų69.118%0.17842%0.416CS..Hα-helixtrans-71.9-44.4175.6-66-176.3000110.8I83 P85 S86 M90 A97 Y98 Q99I83-L88 HydrophobicContact CG2-CD2 4.02Å; I83-L88 HydrophobicContact CG2-CG 4.29Å; P85-L88 WeakPolarHBondContact O-CB 3.3Å; P85-L88 PolarHBondContact O-N 2.85Å; S86-L88 PolarHBondContact O-N 3.39Å; L88-M90 VanDerWaalsContact C-N 3.31Å; L88-M90 PolarHBondContact O-N 3.24Å; L88-M90 VanDerWaalsContact O-N 3.13Å; L88-A97 HydrophobicContact CB-CB 4.37Å; L88-A97 WeakPolarHBondContact CB-O 3.19Å; L88-A97 WeakPolarHBondContact CD1-O 3.49Å; L88-A97 VanDerWaalsContact CD2-O 3.3Å; L88-A97 WeakPolarHBondContact CD2-O 3.42Å; L88-A97 WeakPolarHBondContact CG-O 3.33Å; L88-A97 WeakPolarHBondContact O-CA 3.27Å; L88-A97 WeakPolarHBondContact O-CB 3.33Å; L88-Y98 HydrophobicContact CD1-CD1 4.45Å; L88-Q99 HydrophobicContact CD2-CB 4.11Å; L88-Q99 VanDerWaalsContact CD2-N 3.28Å
89S52.7Low62.6Low90 Ų9072.4 Ų72.463%0.62943%0.431SS*.THydrogen-bonded Turntrans-75.7-1.8-170.1-168.10000116.9P85 N91P85-S89 PolarHBondContact O-N 3.11Å; S89-N91 VanDerWaalsContact C-N 3.32Å; S89-N91 PolarHBondContact O-N 3.06Å
90M53.1Low61.6Low156 Ų15677 Ų7777%0.76846%0.46SS*.THydrogen-bonded Turntrans-74.1-18.6-169.3-74.6-72178.300114.7L88L88-M90 VanDerWaalsContact C-N 3.31Å; L88-M90 PolarHBondContact O-N 3.24Å; L88-M90 VanDerWaalsContact O-N 3.13Å
91N50Low61.2Low104 Ų10474.9 Ų74.956%0.55644%0.444SS*.SBendtrans-120.8107.7177.7-65.9-10000107S89 D93 S96S89-N91 VanDerWaalsContact C-N 3.32Å; S89-N91 PolarHBondContact O-N 3.06Å; N91-D93 PolarHBondContact O-N 2.93Å; N91-S96 VanDerWaalsContact CB-CB 3.41Å
92G52Low61.1Low89 Ų8977.3 Ų77.392%0.91846%0.459SS*.SBendtrans-58.219.3-17100000118.3
93D54.9Low61.1Low109 Ų10978.8 Ų78.858%0.58347%0.467SS*.SBendtrans-95.5127.7168-68.7-35.6000109.7N91 F95 S96 A97N91-D93 PolarHBondContact O-N 2.93Å; D93-F95 PolarHBondContact O-N 3Å; D93-S96 WeakPolarHBondContact O-CA 3.14Å; D93-S96 PolarHBondContact O-N 2.9Å; D93-A97 PolarHBondContact O-N 2.84Å
94A49.6Very low61.4Low80 Ų8081.9 Ų81.966%0.66148%0.481SS*.THydrogen-bonded Turntrans-54.3-23.7176.100000113.2Y98A94-Y98 VanDerWaalsContact O-CD2 3.3Å; A94-Y98 WeakPolarHBondContact O-CD2 3.42Å
95F50.9Low62Low194 Ų19488.6 Ų88.685%0.85150%0.503SS*.THydrogen-bonded Turntrans-79.7-35.1172.6-83.6-85000113.7D93 A97 Y98D93-F95 PolarHBondContact O-N 3Å; F95-A97 VanDerWaalsContact C-N 3.27Å; F95-Y98 PolarHBondContact O-N 2.9Å
96S45.2Very low62.7Low48 Ų4885 Ų8534%0.33648%0.479SS..THydrogen-bonded Turntrans-72.6-25.8174.2-68.50000111.9N91 D93 Y98N91-S96 VanDerWaalsContact CB-CB 3.41Å; D93-S96 WeakPolarHBondContact O-CA 3.14Å; D93-S96 PolarHBondContact O-N 2.9Å; S96-Y98 PolarHBondContact O-N 3.26Å; S96-Y98 VanDerWaalsContact O-N 3.11Å
97A43.9Very low63.7Low25 Ų2583.8 Ų83.821%0.20747%0.469CS..THydrogen-bonded Turntrans-70.16.7170.400000115.7L88 D93 F95L88-A97 HydrophobicContact CB-CB 4.37Å; L88-A97 WeakPolarHBondContact CB-O 3.19Å; L88-A97 WeakPolarHBondContact CD1-O 3.49Å; L88-A97 VanDerWaalsContact CD2-O 3.3Å; L88-A97 WeakPolarHBondContact CD2-O 3.42Å; L88-A97 WeakPolarHBondContact CG-O 3.33Å; L88-A97 WeakPolarHBondContact O-CA 3.27Å; L88-A97 WeakPolarHBondContact O-CB 3.33Å; D93-A97 PolarHBondContact O-N 2.84Å; F95-A97 VanDerWaalsContact C-N 3.27Å
98Y51.8Low64.6Low169 Ų16984.4 Ų84.466%0.66347%0.468SS*.SBendtrans-13188.1162.3-65.1-78.3000107.3L88 A94 F95 S96 T100L88-Y98 HydrophobicContact CD1-CD1 4.45Å; A94-Y98 VanDerWaalsContact O-CD2 3.3Å; A94-Y98 WeakPolarHBondContact O-CD2 3.42Å; F95-Y98 PolarHBondContact O-N 2.9Å; S96-Y98 PolarHBondContact O-N 3.26Å; S96-Y98 VanDerWaalsContact O-N 3.11Å; Y98-T100 PolarHBondContact O-N 2.8Å
99Q59Low65.5Low71 Ų7190.9 Ų90.933%0.33249%0.494SS..  trans-6493.9169.2-166.415327.900107.7Y56 L88 I101Y56-Q99 VanDerWaalsContact C-CD 3.49Å; Y56-Q99 VanDerWaalsContact O-CG 3.3Å; Y56-Q99 WeakPolarHBondContact O-CG 3.4Å; Y56-Q99 PolarHBondContact O-NE2 3.23Å; Y56-Q99 PolarHBondContact O-OE1 2.81Å; L88-Q99 HydrophobicContact CD2-CB 4.11Å; L88-Q99 VanDerWaalsContact CD2-N 3.28Å; Q99-I101 PolarHBondContact O-N 2.75Å
100T66.8Low66.8Low117 Ų11792.5 Ų92.572%0.71849%0.492SS*.  trans-73.898-177.153.20000108.4Y98 P102Y98-T100 PolarHBondContact O-N 2.8Å; T100-P102 WeakPolarHBondContact O-CD 3.37Å
101I76.8Confident67.8Low14 Ų1485.4 Ų85.47%0.07246%0.457CS..  trans-76.4116.5171-57.1-177.3000107.9I61 V63 I79 I83 Q99I61-I101 HydrophobicContact CB-CD1 4.13Å; I61-I101 HydrophobicContact CB-CG2 4.34Å; I61-I101 HydrophobicContact CD1-CD1 3.38Å; I61-I101 HydrophobicContact CG1-CD1 4.35Å; I61-I101 HydrophobicContact CG2-CD1 4Å; I61-I101 HydrophobicContact CG2-CG2 3.92Å; V63-I101 HydrophobicContact CG2-CG2 3.71Å; I79-I101 HydrophobicContact CD1-CB 4.4Å; I79-I101 HydrophobicContact CD1-CG2 4.38Å; I79-I101 HydrophobicContact CG2-CB 4.25Å; I79-I101 HydrophobicContact CG2-CD1 4.28Å; I83-I101 HydrophobicContact CD1-CD1 3.38Å; I83-I101 HydrophobicContact CD1-CG1 3.71Å; I83-I101 HydrophobicContact CG1-CD1 3.82Å; Q99-I101 PolarHBondContact O-N 2.75Å
102P83.7Confident68.8Low55 Ų5591.4 Ų91.436%0.35747%0.472SS..  trans-68.9138-17928.9-33.5000110.4T58 T100T58-P102 VanDerWaalsContact CG2-CD 3.46Å; T58-P102 HydrophobicContact CG2-CG 4.15Å; T100-P102 WeakPolarHBondContact O-CD 3.37Å
103I86.4Confident69.6Low36 Ų3691.4 Ų91.419%0.18545%0.454CS..EExtended strand (participates in β ladder)trans-97.8108.3168.3-58.2-177.7000108.1V63 S65 L76 I79V63-I103 HydrophobicContact CB-CG1 4.29Å; V63-I103 HydrophobicContact CG1-CG1 4.06Å; V63-I103 HydrophobicContact CG1-CG2 4.19Å; S65-I103 VanDerWaalsContact OG-CG2 3.31Å; S65-I103 WeakPolarHBondContact OG-CG2 3.33Å; L76-I103 HydrophobicContact CB-CD1 4.37Å; L76-I103 HydrophobicContact CD2-CD1 3.56Å; L76-I103 HydrophobicContact CD2-CG1 4.4Å; L76-I103 HydrophobicContact CG-CD1 3.63Å; I79-I103 HydrophobicContact CD1-CD1 3.74Å; I79-I103 HydrophobicContact CD1-CG1 3.55Å
104H88Confident69.9Low82 Ų8286.6 Ų86.638%0.3843%0.43SS..EExtended strand (participates in β ladder)trans-73.3130.8174.5-62.4-81.5000109.6Y62 V63 R64 S65Y62-H104 AromaticContact CD2-CD2 3.59Å; Y62-H104 AromaticContact CD2-NE2 3.85Å; Y62-H104 HydrophobicContact CE2-CB 4.3Å; Y62-H104 AromaticContact CE2-CD2 3.12Å; Y62-H104 WeakPolarHBondContact CE2-CD2 3.39Å; Y62-H104 AromaticContact CE2-CG 3.69Å; Y62-H104 AromaticContact CE2-NE2 3.56Å; Y62-H104 AromaticContact CZ-CD2 3.86Å; V63-H104 PolarHBondContact O-CD2 2.97Å; V63-H104 PolarHBondContact O-N 3.42Å; R64-H104 CarbonylContact C-O 3.5Å; R64-H104 VanDerWaalsContact CA-O 3.3Å; R64-H104 WeakPolarHBondContact CA-O 3.26Å; S65-H104 PolarHBondContact N-O 3.12Å
105R87.3Confident70.5Confident165 Ų16584 Ų8462%0.62340%0.403SS*.EExtended strand (participates in β ladder)trans-107.1135.2176.566.7-173.9-167.8143.1-7.5110.5S65 D67S65-R105 WeakPolarHBondContact O-CA 3.24Å; D67-R105 IonicContact OD1-CZ 2.95Å; D67-R105 IonicContact OD1-NH1 3.78Å; D67-R105 PolarHBondContact OD1-NH1 2.78Å; D67-R105 IonicContact OD2-NH1 3.45Å
106T84.9Confident71Confident27 Ų2780.5 Ų80.517%0.16639%0.388CS..EExtended strand (participates in β ladder)trans-106.9123.6171.1-49.40000109.1R64 S65 D67 L108 D111R64-T106 PolarHBondContact NE-OG1 3.05Å; S65-T106 PolarHBondContact O-N 2.97Å; D67-T106 WeakPolarHBondContact CB-O 3.48Å; D67-T106 PolarHBondContact N-O 2.88Å; D67-T106 VanDerWaalsContact N-O 3.12Å; T106-L108 PolarHBondContact O-N 3.13Å; T106-D111 HydrophobicContact CG2-CB 3.91Å
107P83.9Confident71.5Confident63 Ų6383.3 Ų83.341%0.40939%0.392SS..  trans-53.8136.7175.3-26.134000111.2K109 H110 D111P107-K109 PolarHBondContact O-N 3.19Å; P107-H110 PolarHBondContact O-N 3.01Å; P107-D111 PolarHBondContact O-N 2.79Å; P107-D111 VanDerWaalsContact O-N 3.1Å
108L77.4Confident71.9Confident45 Ų4589.4 Ų89.424%0.23641%0.411CS..THydrogen-bonded Turntrans-55.7-31.3-172.7-63.1175000113.8D67 T106 H110 Y115D67-L108 HydrophobicContact CB-CG 4.46Å; T106-L108 PolarHBondContact O-N 3.13Å; L108-H110 VanDerWaalsContact C-N 3.27Å; L108-H110 PolarHBondContact O-N 2.91Å; L108-Y115 HydrophobicContact CD2-CD2 3.75Å; L108-Y115 HydrophobicContact CD2-CE2 4Å; L108-Y115 HydrophobicContact CD2-CG 4.36Å
109K77.4Confident72Confident169 Ų16983.8 Ų83.874%0.73540%0.396SS*.THydrogen-bonded Turntrans-65.9-28.8177.7-171.1179.3178.7-175.70112.9P107P107-K109 PolarHBondContact O-N 3.19Å
110H79.4Confident71.9Confident124 Ų12486.2 Ų86.257%0.57441%0.406SS*.THydrogen-bonded Turntrans-108.9-4.1-174.8-56.2106.8000112.9P107 L108 R112P107-H110 PolarHBondContact O-N 3.01Å; L108-H110 VanDerWaalsContact C-N 3.27Å; L108-H110 PolarHBondContact O-N 2.91Å; H110-R112 PolarHBondContact O-N 3.15Å; H110-R112 VanDerWaalsContact O-N 3.08Å
111D74.5Confident71.5Confident7 Ų784 Ų844%0.03739%0.389CS..  trans-80.192.4-177.7-171.714.7000111.6R64 T106 P107 V113 G114 Y115R64-D111 IonicContact CZ-OD1 3.91Å; R64-D111 IonicContact NH2-OD1 2.84Å; R64-D111 PolarHBondContact NH2-OD1 3.25Å; T106-D111 HydrophobicContact CG2-CB 3.91Å; P107-D111 PolarHBondContact O-N 2.79Å; P107-D111 VanDerWaalsContact O-N 3.1Å; D111-V113 VanDerWaalsContact C-N 3.31Å; D111-V113 PolarHBondContact OD1-N 3.21Å; D111-G114 PolarHBondContact OD1-N 3.35Å; D111-G114 VanDerWaalsContact OD2-CA 3.26Å; D111-G114 WeakPolarHBondContact OD2-CA 3.35Å; D111-G114 PolarHBondContact OD2-N 3.29Å; D111-Y115 WeakPolarHBondContact O-CB 2.99Å; D111-Y115 PolarHBondContact OD2-N 2.93Å
112R71.9Confident70.7Confident231 Ų23191.5 Ų91.587%0.87242%0.422SS*.THydrogen-bonded Turntrans-79-12.2177.2-61.6-177.2-175.6174.51.2113.9H110H110-R112 PolarHBondContact O-N 3.15Å; H110-R112 VanDerWaalsContact O-N 3.08Å
113V68.8Low69.8Low88 Ų8891.6 Ų91.653%0.53342%0.421SS..THydrogen-bonded Turntrans-105.1-54.8-172.4-177.60000110.9D111D111-V113 VanDerWaalsContact C-N 3.31Å; D111-V113 PolarHBondContact OD1-N 3.21Å
114G61.3Low68.8Low8 Ų894.6 Ų94.68%0.08243%0.433CS..THydrogen-bonded Turntrans-87-14.9-175.100000114.4D111D111-G114 PolarHBondContact OD1-N 3.35Å; D111-G114 VanDerWaalsContact OD2-CA 3.26Å; D111-G114 WeakPolarHBondContact OD2-CA 3.35Å; D111-G114 PolarHBondContact OD2-N 3.29Å
115Y61.7Low67.8Low26 Ų2699.9 Ų99.910%0.10245%0.45CS..  trans-120.774.4-175.6-164.6-101.6000111.8M1 L108 D111 Y117 Y118M1-Y115 HydrophobicContact CE-CE2 3.96Å; M1-Y115 WeakPolarHBondContact CE-OH 3.3Å; M1-Y115 HydrophobicContact CG-CE2 3.99Å; M1-Y115 HydrophobicContact SD-CD2 4.37Å; M1-Y115 HydrophobicContact SD-CE2 3.33Å; M1-Y115 WeakPolarHBondContact SD-CE2 3.49Å; L108-Y115 HydrophobicContact CD2-CD2 3.75Å; L108-Y115 HydrophobicContact CD2-CE2 4Å; L108-Y115 HydrophobicContact CD2-CG 4.36Å; D111-Y115 WeakPolarHBondContact O-CB 2.99Å; D111-Y115 PolarHBondContact OD2-N 2.93Å; Y115-Y117 HydrophobicContact CE1-CD1 4.36Å; Y115-Y117 HydrophobicContact CE1-CG 4.01Å; Y115-Y117 PolarHBondContact O-N 3.39Å; Y115-Y118 HydrophobicContact CD1-CD2 4.42Å; Y115-Y118 HydrophobicContact CD1-CE2 4.21Å; Y115-Y118 HydrophobicContact CE1-CE2 4.06Å
116F60.3Low67.1Low121 Ų12195.6 Ų95.653%0.53145%0.445SS..THydrogen-bonded Turntrans-78.342.9177.4-151.8-100.7000113.2S119F116-S119 WeakPolarHBondContact CE1-OG 3.27Å; F116-S119 WeakPolarHBondContact CZ-OG 3.39Å
117Y56.8Low66.8Low107 Ų10797 Ų9742%0.4245%0.453SS..Hα-helixtrans-76.6-38.7177.6-171.6-105.4000111.8M1 Y115M1-Y117 HydrophobicContact CE-CD2 3.75Å; M1-Y117 HydrophobicContact CE-CE2 3.93Å; M1-Y117 HydrophobicContact CE-CG 4.34Å; Y115-Y117 HydrophobicContact CE1-CD1 4.36Å; Y115-Y117 HydrophobicContact CE1-CG 4.01Å; Y115-Y117 PolarHBondContact O-N 3.39Å
118Y51Low66.4Low153 Ų15397.6 Ų97.660%0.645%0.452SS*.Hα-helixtrans-73.5-39.4-171.5-68.4-75.8000113.1Y115 N121Y115-Y118 HydrophobicContact CD1-CD2 4.42Å; Y115-Y118 HydrophobicContact CD1-CE2 4.21Å; Y115-Y118 HydrophobicContact CE1-CE2 4.06Å; Y118-N121 PolarHBondContact O-N 2.9Å
119S55Low66.4Low51 Ų51103.2 Ų103.236%0.35748%0.475SS..Hα-helixtrans-74.8-27.9179.9-1730000112.3F116 N121 F122 V123F116-S119 WeakPolarHBondContact CE1-OG 3.27Å; F116-S119 WeakPolarHBondContact CZ-OG 3.39Å; S119-N121 VanDerWaalsContact C-N 3.31Å; S119-N121 PolarHBondContact O-N 3.43Å; S119-F122 PolarHBondContact O-N 3.1Å; S119-V123 PolarHBondContact O-N 3.41Å
120F55.9Low66.7Low122 Ų122100 Ų10054%0.53546%0.462SS..Hα-helixtrans-65.8-31.6173.7-157-94.6000112.5F122 V123 K124F120-F122 VanDerWaalsContact C-N 3.3Å; F120-F122 PolarHBondContact O-N 3.28Å; F120-V123 PolarHBondContact O-N 3.08Å; F120-K124 HydrophobicContact CD1-CB 4.27Å; F120-K124 HydrophobicContact CE1-CB 4.41Å; F120-K124 WeakPolarHBondContact O-CA 3.28Å; F120-K124 WeakPolarHBondContact O-CB 3.1Å; F120-K124 PolarHBondContact O-N 3.07Å
121N59.2Low66.9Low70 Ų7098.6 Ų98.637%0.37446%0.464SS..Hα-helixtrans-65.5-33.5176.8-74.4-38.3000112.8Y118 S119Y118-N121 PolarHBondContact O-N 2.9Å; S119-N121 VanDerWaalsContact C-N 3.31Å; S119-N121 PolarHBondContact O-N 3.43Å
122F60.4Low67.3Low171 Ų171102.5 Ų102.575%0.7549%0.491SS*.Hα-helixtrans-67.1-48.5175.6-175.8-99.9000111S119 F120 K124S119-F122 PolarHBondContact O-N 3.1Å; F120-F122 VanDerWaalsContact C-N 3.3Å; F120-F122 PolarHBondContact O-N 3.28Å; F122-K124 VanDerWaalsContact C-N 3.32Å; F122-K124 PolarHBondContact O-N 3.48Å
123V63.8Low67.7Low57 Ų5795.4 Ų95.435%0.34547%0.467SS..Hα-helixtrans-72-26.1178.5-178.50000112.1S119 F120 R125 S126 V127S119-V123 PolarHBondContact O-N 3.41Å; F120-V123 PolarHBondContact O-N 3.08Å; V123-R125 VanDerWaalsContact C-N 3.28Å; V123-R125 PolarHBondContact O-N 3.43Å; V123-S126 PolarHBondContact O-N 3.41Å; V123-S126 PolarHBondContact O-OG 2.68Å; V123-V127 HydrophobicContact CG1-CG2 3.58Å; V123-V127 WeakPolarHBondContact O-CB 3.33Å; V123-V127 VanDerWaalsContact O-CG2 3.3Å; V123-V127 WeakPolarHBondContact O-CG2 3.42Å; V123-V127 PolarHBondContact O-N 3.36Å
124K66Low68.2Low99 Ų9999.3 Ų99.343%0.4347%0.472SS..Hα-helixtrans-60.8-37-179-178.8175.5-177.8-172.60111.7F120 F122 I128F120-K124 HydrophobicContact CD1-CB 4.27Å; F120-K124 HydrophobicContact CE1-CB 4.41Å; F120-K124 WeakPolarHBondContact O-CA 3.28Å; F120-K124 WeakPolarHBondContact O-CB 3.1Å; F120-K124 PolarHBondContact O-N 3.07Å; F122-K124 VanDerWaalsContact C-N 3.32Å; F122-K124 PolarHBondContact O-N 3.48Å; K124-I128 HydrophobicContact CD-CD1 4.31Å; K124-I128 HydrophobicContact CG-CD1 3.5Å; K124-I128 HydrophobicContact CG-CG1 4.23Å; K124-I128 VanDerWaalsContact O-CB 3.27Å; K124-I128 WeakPolarHBondContact O-CB 3.04Å; K124-I128 WeakPolarHBondContact O-CD1 3.28Å; K124-I128 WeakPolarHBondContact O-CG1 3.42Å; K124-I128 PolarHBondContact O-N 3.33Å
125R67.5Low69.2Low194 Ų194105.7 Ų105.773%0.73250%0.499SS*.Hα-helixtrans-65.4-52.1175.4-81-174.7175.4179.1-0.8111.1V123 V127 I128 F129V123-R125 VanDerWaalsContact C-N 3.28Å; V123-R125 PolarHBondContact O-N 3.43Å; R125-V127 VanDerWaalsContact C-N 3.32Å; R125-V127 PolarHBondContact O-N 3.38Å; R125-I128 PolarHBondContact O-N 3.12Å; R125-F129 WeakPolarHBondContact O-CD2 3.42Å; R125-F129 PolarHBondContact O-N 3.46Å
126S72.4Confident70.1Confident74 Ų74109.7 Ų109.752%0.51752%0.517SS..Hα-helixtrans-63-38.1-17952.60000112.6V123 H130V123-S126 PolarHBondContact O-N 3.41Å; V123-S126 PolarHBondContact O-OG 2.68Å; S126-H130 PolarHBondContact O-N 3.04Å
127V78.2Confident71.1Confident57 Ų57107 Ų10735%0.34551%0.51SS..Hα-helixtrans-69.3-43.4177.5173.60000112V123 R125 F129 H130 F133V123-V127 HydrophobicContact CG1-CG2 3.58Å; V123-V127 WeakPolarHBondContact O-CB 3.33Å; V123-V127 VanDerWaalsContact O-CG2 3.3Å; V123-V127 WeakPolarHBondContact O-CG2 3.42Å; V123-V127 PolarHBondContact O-N 3.36Å; R125-V127 VanDerWaalsContact C-N 3.32Å; R125-V127 PolarHBondContact O-N 3.38Å; V127-F129 VanDerWaalsContact C-N 3.26Å; V127-F129 PolarHBondContact O-N 3.26Å; V127-H130 WeakPolarHBondContact O-CB 3.37Å; V127-H130 PolarHBondContact O-N 3.24Å; V127-H130 VanDerWaalsContact O-N 3.15Å; V127-F133 HydrophobicContact CG1-CD2 4.07Å; V127-F133 HydrophobicContact CG1-CG 4.22Å; V127-F133 WeakPolarHBondContact O-CB 3.43Å; V127-F133 WeakPolarHBondContact O-CG 3.45Å
128I76.5Confident72.2Confident75 Ų75107.8 Ų107.839%0.38552%0.52SS..Hα-helixtrans-61.6-36.4-179.6-73.4169.6000111.7K124 R125 F133K124-I128 HydrophobicContact CD-CD1 4.31Å; K124-I128 HydrophobicContact CG-CD1 3.5Å; K124-I128 HydrophobicContact CG-CG1 4.23Å; K124-I128 VanDerWaalsContact O-CB 3.27Å; K124-I128 WeakPolarHBondContact O-CB 3.04Å; K124-I128 WeakPolarHBondContact O-CD1 3.28Å; K124-I128 WeakPolarHBondContact O-CG1 3.42Å; K124-I128 PolarHBondContact O-N 3.33Å; R125-I128 PolarHBondContact O-N 3.12Å; I128-F133 HydrophobicContact CG1-CE1 4.13Å
129F77.6Confident73.9Confident163 Ų163106.3 Ų106.372%0.71552%0.518SS*.THydrogen-bonded Turntrans-87.5-4179.8-65.7-65.7000113.9R125 V127R125-F129 WeakPolarHBondContact O-CD2 3.42Å; R125-F129 PolarHBondContact O-N 3.46Å; V127-F129 VanDerWaalsContact C-N 3.26Å; V127-F129 PolarHBondContact O-N 3.26Å
130H83.6Confident75.4Confident101 Ų101109 Ų10947%0.46852%0.521SS..SBendtrans-68.1132179.2-163.9-87.6000111S126 V127 C132 F133 R134S126-H130 PolarHBondContact O-N 3.04Å; V127-H130 WeakPolarHBondContact O-CB 3.37Å; V127-H130 PolarHBondContact O-N 3.24Å; V127-H130 VanDerWaalsContact O-N 3.15Å; H130-C132 VanDerWaalsContact C-N 3.29Å; H130-C132 VanDerWaalsContact CE1-SG 3.52Å; H130-C132 PolarHBondContact ND1-N 3.3Å; H130-C132 PolarHBondContact O-N 2.9Å; H130-F133 HydrophobicContact CB-CB 4.41Å; H130-F133 PolarHBondContact O-N 2.71Å; H130-R134 PolarHBondContact O-N 3.43Å
131P82.8Confident76.7Confident95 Ų95104.9 Ų104.962%0.61751%0.51SS*.Hα-helixtrans-54.2-40.5-176.8-27.834.3000114F133 R134 H135P131-F133 PolarHBondContact O-N 2.89Å; P131-R134 PolarHBondContact O-N 2.99Å; P131-H135 WeakPolarHBondContact O-CB 3.35Å; P131-H135 PolarHBondContact O-N 3.43Å
132C83.3Confident78Confident89 Ų89106 Ų10660%0.60152%0.521SS*.Hα-helixtrans-62.5-40.3176.6-55.20000112.8H130 F136H130-C132 VanDerWaalsContact C-N 3.29Å; H130-C132 VanDerWaalsContact CE1-SG 3.52Å; H130-C132 PolarHBondContact ND1-N 3.3Å; H130-C132 PolarHBondContact O-N 2.9Å; C132-F136 PolarHBondContact O-N 2.9Å; C132-F136 VanDerWaalsContact O-N 3.13Å
133F80.9Confident79.3Confident82 Ų82101.8 Ų101.836%0.3651%0.506SS..Hα-helixtrans-70.6-40177.4-174.4-98.8000110.9V127 I128 H130 P131 F136 V137V127-F133 HydrophobicContact CG1-CD2 4.07Å; V127-F133 HydrophobicContact CG1-CG 4.22Å; V127-F133 WeakPolarHBondContact O-CB 3.43Å; V127-F133 WeakPolarHBondContact O-CG 3.45Å; I128-F133 HydrophobicContact CG1-CE1 4.13Å; H130-F133 HydrophobicContact CB-CB 4.41Å; H130-F133 PolarHBondContact O-N 2.71Å; P131-F133 PolarHBondContact O-N 2.89Å; F133-F136 PolarHBondContact O-N 3.29Å; F133-V137 HydrophobicContact CD1-CG2 3.88Å; F133-V137 HydrophobicContact CE1-CG2 3.5Å; F133-V137 VanDerWaalsContact CE1-CG2 3.5Å; F133-V137 HydrophobicContact CE2-CG2 4.33Å; F133-V137 HydrophobicContact CG-CG2 4.46Å; F133-V137 HydrophobicContact CZ-CG2 3.75Å; F133-V137 WeakPolarHBondContact O-CB 3.08Å; F133-V137 VanDerWaalsContact O-CG2 3.3Å; F133-V137 WeakPolarHBondContact O-CG2 3.39Å; F133-V137 PolarHBondContact O-N 3.42Å
134R79Confident80.2Confident171 Ų171106.2 Ų106.265%0.64552%0.52SS*.Hα-helixtrans-61.7-43.6175.3-171.8176.5179.5-173.8-0.8111.6H130 P131 V137 M138H130-R134 PolarHBondContact O-N 3.43Å; P131-R134 PolarHBondContact O-N 2.99Å; R134-V137 PolarHBondContact O-N 3.03Å; R134-M138 HydrophobicContact CG-CG 4.32Å; R134-M138 WeakPolarHBondContact O-CB 3.17Å; R134-M138 WeakPolarHBondContact O-CG 3.38Å; R134-M138 PolarHBondContact O-N 2.73Å
135H81.5Confident80.9Confident141 Ų141111 Ų11165%0.65354%0.535SS*.Hα-helixtrans-59.3-50.1176.5-173.781.5000111.2P131 V137 M138 E139P131-H135 WeakPolarHBondContact O-CB 3.35Å; P131-H135 PolarHBondContact O-N 3.43Å; H135-V137 PolarHBondContact O-N 3.49Å; H135-M138 PolarHBondContact O-N 3.46Å; H135-E139 PolarHBondContact O-N 3.41Å; H135-E139 VanDerWaalsContact O-N 3.11Å
136F80.7Confident81.8Confident110 Ų110107 Ų10748%0.48252%0.524SS..Hα-helixtrans-57.5-45.6175.6-174.4-96.1000112.1C132 F133 M138 E139 Y140C132-F136 PolarHBondContact O-N 2.9Å; C132-F136 VanDerWaalsContact O-N 3.13Å; F133-F136 PolarHBondContact O-N 3.29Å; F136-M138 VanDerWaalsContact C-N 3.34Å; F136-M138 PolarHBondContact O-N 3.39Å; F136-E139 WeakPolarHBondContact O-CB 3.27Å; F136-E139 PolarHBondContact O-N 2.88Å; F136-Y140 HydrophobicContact CD1-CD2 4.4Å; F136-Y140 HydrophobicContact CD1-CE2 4.48Å; F136-Y140 HydrophobicContact CD2-CE2 4.01Å; F136-Y140 HydrophobicContact CE1-CD2 4.14Å; F136-Y140 HydrophobicContact CE1-CE2 4.05Å; F136-Y140 HydrophobicContact CE2-CD2 4.36Å; F136-Y140 AromaticContact CE2-CE2 3.55Å; F136-Y140 HydrophobicContact CE2-CE2 3.55Å; F136-Y140 HydrophobicContact CG-CE2 4.46Å; F136-Y140 HydrophobicContact CZ-CD2 4.12Å; F136-Y140 AromaticContact CZ-CE2 3.56Å; F136-Y140 HydrophobicContact CZ-CE2 3.56Å; F136-Y140 VanDerWaalsContact O-CD2 3.28Å; F136-Y140 WeakPolarHBondContact O-CD2 3.3Å
137V80.7Confident82.3Confident64 Ų64107.2 Ų107.239%0.38852%0.518SS..Hα-helixtrans-65.3-36178.8170.70000112.6F133 R134 H135 Y140 A141F133-V137 HydrophobicContact CD1-CG2 3.88Å; F133-V137 HydrophobicContact CE1-CG2 3.5Å; F133-V137 VanDerWaalsContact CE1-CG2 3.5Å; F133-V137 HydrophobicContact CE2-CG2 4.33Å; F133-V137 HydrophobicContact CG-CG2 4.46Å; F133-V137 HydrophobicContact CZ-CG2 3.75Å; F133-V137 WeakPolarHBondContact O-CB 3.08Å; F133-V137 VanDerWaalsContact O-CG2 3.3Å; F133-V137 WeakPolarHBondContact O-CG2 3.39Å; F133-V137 PolarHBondContact O-N 3.42Å; R134-V137 PolarHBondContact O-N 3.03Å; H135-V137 PolarHBondContact O-N 3.49Å; V137-Y140 PolarHBondContact O-N 3.47Å; V137-A141 PolarHBondContact O-N 3.43Å
138M80.5Confident82.5Confident125 Ų125109.6 Ų109.662%0.61653%0.528SS*.Hα-helixtrans-69.5-34.5179.7-68-72.1-7900111.8R134 H135 F136 Y140 A141R134-M138 HydrophobicContact CG-CG 4.32Å; R134-M138 WeakPolarHBondContact O-CB 3.17Å; R134-M138 WeakPolarHBondContact O-CG 3.38Å; R134-M138 PolarHBondContact O-N 2.73Å; H135-M138 PolarHBondContact O-N 3.46Å; F136-M138 VanDerWaalsContact C-N 3.34Å; F136-M138 PolarHBondContact O-N 3.39Å; M138-Y140 VanDerWaalsContact C-N 3.33Å; M138-Y140 PolarHBondContact O-N 3.28Å; M138-A141 VanDerWaalsContact O-CB 3.28Å; M138-A141 WeakPolarHBondContact O-CB 3.42Å; M138-A141 PolarHBondContact O-N 3.19Å
139E87.2Confident83Confident121 Ų121113.6 Ų113.657%0.56554%0.539SS*.Hα-helixtrans-58.4-41.8174.3-168.8-178.2173.300112.1H135 F136H135-E139 PolarHBondContact O-N 3.41Å; H135-E139 VanDerWaalsContact O-N 3.11Å; F136-E139 WeakPolarHBondContact O-CB 3.27Å; F136-E139 PolarHBondContact O-N 2.88Å
140Y85.6Confident83.3Confident108 Ų108108.4 Ų108.442%0.42452%0.518SS..THydrogen-bonded Turntrans-92.47179.6-64.4-84.6000114.5F136 V137 M138 L143 K144F136-Y140 HydrophobicContact CD1-CD2 4.4Å; F136-Y140 HydrophobicContact CD1-CE2 4.48Å; F136-Y140 HydrophobicContact CD2-CE2 4.01Å; F136-Y140 HydrophobicContact CE1-CD2 4.14Å; F136-Y140 HydrophobicContact CE1-CE2 4.05Å; F136-Y140 HydrophobicContact CE2-CD2 4.36Å; F136-Y140 AromaticContact CE2-CE2 3.55Å; F136-Y140 HydrophobicContact CE2-CE2 3.55Å; F136-Y140 HydrophobicContact CG-CE2 4.46Å; F136-Y140 HydrophobicContact CZ-CD2 4.12Å; F136-Y140 AromaticContact CZ-CE2 3.56Å; F136-Y140 HydrophobicContact CZ-CE2 3.56Å; F136-Y140 VanDerWaalsContact O-CD2 3.28Å; F136-Y140 WeakPolarHBondContact O-CD2 3.3Å; V137-Y140 PolarHBondContact O-N 3.47Å; M138-Y140 VanDerWaalsContact C-N 3.33Å; M138-Y140 PolarHBondContact O-N 3.28Å; Y140-L143 HydrophobicContact CD1-CD2 3.88Å; Y140-L143 PolarHBondContact O-N 3.25Å; Y140-K144 PolarHBondContact O-N 3.04Å
141A83.7Confident83.3Confident35 Ų35108.3 Ų108.329%0.28952%0.52SS..Hα-helixtrans-54.5-44-179.700000114.9V137 M138 K144 R145V137-A141 PolarHBondContact O-N 3.43Å; M138-A141 VanDerWaalsContact O-CB 3.28Å; M138-A141 WeakPolarHBondContact O-CB 3.42Å; M138-A141 PolarHBondContact O-N 3.19Å; A141-K144 PolarHBondContact O-N 3.43Å; A141-R145 PolarHBondContact O-N 3.15Å
142P85.6Confident83.1Confident93 Ų93107.3 Ų107.360%0.60452%0.515SS*.Hα-helixtrans-66.8-40.1176.725.1-32.9000111.9K144 R145 F146P142-K144 VanDerWaalsContact C-N 3.32Å; P142-K144 PolarHBondContact O-N 2.91Å; P142-R145 PolarHBondContact O-N 2.96Å; P142-F146 PolarHBondContact O-N 3.32Å
143L87.6Confident82.9Confident84 Ų84105.5 Ų105.544%0.4450%0.503SS..Hα-helixtrans-62-40.6176.9-175.967.4000111.4Y140 R145 F146 I147Y140-L143 HydrophobicContact CD1-CD2 3.88Å; Y140-L143 PolarHBondContact O-N 3.25Å; L143-R145 VanDerWaalsContact C-N 3.34Å; L143-R145 PolarHBondContact O-N 3.27Å; L143-F146 PolarHBondContact O-N 2.99Å; L143-I147 HydrophobicContact CD1-CD1 4.27Å; L143-I147 HydrophobicContact CD1-CG1 4.43Å; L143-I147 HydrophobicContact CD2-CD1 4.34Å; L143-I147 HydrophobicContact CG-CD1 3.87Å; L143-I147 HydrophobicContact CG-CG1 4.41Å; L143-I147 WeakPolarHBondContact O-CG1 3.06Å; L143-I147 PolarHBondContact O-N 2.89Å
144K83.4Confident82Confident149 Ų149108.6 Ų108.665%0.64852%0.516SS*.Hα-helixtrans-60.1-42.4176.3-177.2-178.2176-174.60112.1Y140 A141 P142 L148Y140-K144 PolarHBondContact O-N 3.04Å; A141-K144 PolarHBondContact O-N 3.43Å; P142-K144 VanDerWaalsContact C-N 3.32Å; P142-K144 PolarHBondContact O-N 2.91Å; K144-L148 WeakPolarHBondContact O-CB 3.46Å; K144-L148 PolarHBondContact O-N 3.25Å
145R81.4Confident81Confident199 Ų199103.9 Ų103.975%0.75151%0.51SS*.Hα-helixtrans-65-41.9176.9-69.6179.8-178.8-175.80.4111.2A141 P142 L143 L148 W149A141-R145 PolarHBondContact O-N 3.15Å; P142-R145 PolarHBondContact O-N 2.96Å; L143-R145 VanDerWaalsContact C-N 3.34Å; L143-R145 PolarHBondContact O-N 3.27Å; R145-L148 PolarHBondContact O-N 3.25Å; R145-W149 WeakPolarHBondContact O-CB 3.28Å; R145-W149 PolarHBondContact O-N 3.21Å
146F85.9Confident79.6Confident112 Ų112102.5 Ų102.549%0.49151%0.512SS..Hα-helixtrans-63.6-46.2177.3-178.7-108.8000112.6P142 L143 L148 W149 L150P142-F146 PolarHBondContact O-N 3.32Å; L143-F146 PolarHBondContact O-N 2.99Å; F146-L148 PolarHBondContact O-N 3.35Å; F146-W149 HydrophobicContact CD2-CE3 4.46Å; F146-W149 HydrophobicContact CE2-CE3 4.34Å; F146-W149 HydrophobicContact CE2-CZ3 4.38Å; F146-W149 PolarHBondContact O-N 3.38Å; F146-L150 HydrophobicContact CD1-CD1 3.83Å; F146-L150 HydrophobicContact CE1-CD1 3.38Å; F146-L150 HydrophobicContact CE1-CG 4.19Å; F146-L150 HydrophobicContact CZ-CD1 3.77Å; F146-L150 HydrophobicContact CZ-CD2 4.43Å; F146-L150 HydrophobicContact CZ-CG 4.16Å; F146-L150 PolarHBondContact O-N 3.41Å
147I83.4Confident78.2Confident78 Ų78104 Ų10440%0.453%0.525SS..Hα-helixtrans-63.1-41.8176.5-68.3169.9000111.1L143 W149 L150 I151L143-I147 HydrophobicContact CD1-CD1 4.27Å; L143-I147 HydrophobicContact CD1-CG1 4.43Å; L143-I147 HydrophobicContact CD2-CD1 4.34Å; L143-I147 HydrophobicContact CG-CD1 3.87Å; L143-I147 HydrophobicContact CG-CG1 4.41Å; L143-I147 WeakPolarHBondContact O-CG1 3.06Å; L143-I147 PolarHBondContact O-N 2.89Å; I147-W149 VanDerWaalsContact C-N 3.33Å; I147-W149 PolarHBondContact O-N 2.94Å; I147-L150 PolarHBondContact O-N 3.43Å; I147-I151 HydrophobicContact CG2-CD1 3.68Å; I147-I151 HydrophobicContact CG2-CG1 4.28Å; I147-I151 VanDerWaalsContact O-CG1 3.28Å; I147-I151 WeakPolarHBondContact O-CG1 3.49Å; I147-I151 PolarHBondContact O-N 3.38Å
148L82Confident76.6Confident106 Ų106107.7 Ų107.756%0.55554%0.541SS*.Hα-helixtrans-62.2-43.4176.9-174.363.4000111.4K144 R145 F146 I151 C152K144-L148 WeakPolarHBondContact O-CB 3.46Å; K144-L148 PolarHBondContact O-N 3.25Å; R145-L148 PolarHBondContact O-N 3.25Å; F146-L148 PolarHBondContact O-N 3.35Å; L148-I151 PolarHBondContact O-N 3.11Å; L148-C152 WeakPolarHBondContact O-CB 3.13Å; L148-C152 PolarHBondContact O-N 3.41Å; L148-C152 PolarHBondContact O-SG 3.29Å
149W87.5Confident74.7Confident159 Ų159109.2 Ų109.260%0.60255%0.546SS*.Hα-helixtrans-61.4-4417517782.7000111.9R145 F146 I147 C152 S153R145-W149 WeakPolarHBondContact O-CB 3.28Å; R145-W149 PolarHBondContact O-N 3.21Å; F146-W149 HydrophobicContact CD2-CE3 4.46Å; F146-W149 HydrophobicContact CE2-CE3 4.34Å; F146-W149 HydrophobicContact CE2-CZ3 4.38Å; F146-W149 PolarHBondContact O-N 3.38Å; I147-W149 VanDerWaalsContact C-N 3.33Å; I147-W149 PolarHBondContact O-N 2.94Å; W149-C152 PolarHBondContact O-N 3.2Å; W149-S153 WeakPolarHBondContact O-CB 3.47Å; W149-S153 PolarHBondContact O-N 2.95Å; W149-S153 PolarHBondContact O-OG 3.4Å
150L84.1Confident72.3Confident55 Ų55108.7 Ų108.729%0.28855%0.554SS.*Hα-helixtrans-59.4-52.3174.7-78.7170.9000111.5F146 I147 C152 S153 F154F146-L150 HydrophobicContact CD1-CD1 3.83Å; F146-L150 HydrophobicContact CE1-CD1 3.38Å; F146-L150 HydrophobicContact CE1-CG 4.19Å; F146-L150 HydrophobicContact CZ-CD1 3.77Å; F146-L150 HydrophobicContact CZ-CD2 4.43Å; F146-L150 HydrophobicContact CZ-CG 4.16Å; F146-L150 PolarHBondContact O-N 3.41Å; I147-L150 PolarHBondContact O-N 3.43Å; L150-C152 VanDerWaalsContact C-N 3.3Å; L150-C152 PolarHBondContact O-N 3.45Å; L150-S153 PolarHBondContact O-N 3.25Å; L150-S153 VanDerWaalsContact O-N 3.12Å; L150-F154 HydrophobicContact CD2-CE2 4.05Å; L150-F154 VanDerWaalsContact O-CD2 3.27Å; L150-F154 WeakPolarHBondContact O-CD2 3.3Å; L150-F154 PolarHBondContact O-N 3.24Å
151I82Confident70.2Confident98 Ų98108.7 Ų108.750%0.50357%0.565SS.*Hα-helixtrans-57.5-45.1-179.5-67.5166.6000110.7I147 L148 F154 S155I147-I151 HydrophobicContact CG2-CD1 3.68Å; I147-I151 HydrophobicContact CG2-CG1 4.28Å; I147-I151 VanDerWaalsContact O-CG1 3.28Å; I147-I151 WeakPolarHBondContact O-CG1 3.49Å; I147-I151 PolarHBondContact O-N 3.38Å; L148-I151 PolarHBondContact O-N 3.11Å; I151-F154 PolarHBondContact O-N 3.32Å; I151-S155 WeakPolarHBondContact O-CB 3.46Å; I151-S155 PolarHBondContact O-N 3.4Å; I151-S155 VanDerWaalsContact O-N 3.07Å; I151-S155 PolarHBondContact O-OG 2.87Å
152C79.9Confident68.2Low74 Ų74115.9 Ų115.950%0.559%0.593SS.*Hα-helixtrans-65.8-37.9177.9-69.80000112.6L148 W149 L150 F154 S155L148-C152 WeakPolarHBondContact O-CB 3.13Å; L148-C152 PolarHBondContact O-N 3.41Å; L148-C152 PolarHBondContact O-SG 3.29Å; W149-C152 PolarHBondContact O-N 3.2Å; L150-C152 VanDerWaalsContact C-N 3.3Å; L150-C152 PolarHBondContact O-N 3.45Å; C152-F154 VanDerWaalsContact C-N 3.33Å; C152-F154 PolarHBondContact O-N 2.88Å; C152-S155 PolarHBondContact O-N 3.13Å
153S78.1Confident66.2Low51 Ų51119.1 Ų119.136%0.35760%0.599SS.*Hα-helixtrans-69.5-29179.9-560000112.9W149 L150 T156W149-S153 WeakPolarHBondContact O-CB 3.47Å; W149-S153 PolarHBondContact O-N 2.95Å; W149-S153 PolarHBondContact O-OG 3.4Å; L150-S153 PolarHBondContact O-N 3.25Å; L150-S153 VanDerWaalsContact O-N 3.12Å; S153-T156 PolarHBondContact O-OG1 2.97Å
154F61.5Low63.9Low147 Ų147121 Ų12165%0.64561%0.61SS**Hα-helixtrans-92-13.6176.4-77.4-77.3000114L150 I151 C152 T156L150-F154 HydrophobicContact CD2-CE2 4.05Å; L150-F154 VanDerWaalsContact O-CD2 3.27Å; L150-F154 WeakPolarHBondContact O-CD2 3.3Å; L150-F154 PolarHBondContact O-N 3.24Å; I151-F154 PolarHBondContact O-N 3.32Å; C152-F154 VanDerWaalsContact C-N 3.33Å; C152-F154 PolarHBondContact O-N 2.88Å; F154-T156 VanDerWaalsContact C-N 3.29Å; F154-T156 PolarHBondContact O-N 3.31Å
155S59Low61.7Low73 Ų73117.6 Ų117.651%0.5161%0.61SS.*G310 helixtrans-77.4-12.7-178-65.10000113.6I151 C152 D157I151-S155 WeakPolarHBondContact O-CB 3.46Å; I151-S155 PolarHBondContact O-N 3.4Å; I151-S155 VanDerWaalsContact O-N 3.07Å; I151-S155 PolarHBondContact O-OG 2.87Å; C152-S155 PolarHBondContact O-N 3.13Å; S155-D157 VanDerWaalsContact C-N 3.32Å
156T52.5Low59.6Low112 Ų112112.9 Ų112.969%0.68760%0.603SS**G310 helixtrans-80-8.9178.548.10000114.3S153 F154S153-T156 PolarHBondContact O-OG1 2.97Å; F154-T156 VanDerWaalsContact C-N 3.29Å; F154-T156 PolarHBondContact O-N 3.31Å
157D49.9Very low57.3Low141 Ų141115.7 Ų115.775%0.75462%0.622SS**G310 helixtrans-105.44.4-175-93.5-22.3000115.3S155 Q159S155-D157 VanDerWaalsContact C-N 3.32Å; D157-Q159 PolarHBondContact O-N 2.99Å
158I48.8Very low55.1Low141 Ų141120.6 Ų120.672%0.72364%0.643SS**  trans-90.581.7176-51.3177.4000109.1
159Q38.9Very low52.9Low157 Ų157124.2 Ų124.273%0.73465%0.654SS**  trans-63.8131.9159.4-70.5-71-40.100108.2D157 T161D157-Q159 PolarHBondContact O-N 2.99Å; Q159-T161 PolarHBondContact O-N 3.46Å
160P38Very low50.4Low111 Ų111125.5 Ų125.572%0.72167%0.667SS**  trans-64.1110176.126-30.6000108.6E162P160-E162 PolarHBondContact O-N 3.36Å
161T41.7Very low48.3Very low108 Ų108132.9 Ų132.966%0.66370%0.697SS**  trans-63.3120.4169.3460000108.4Q159 H163Q159-T161 PolarHBondContact O-N 3.46Å; T161-H163 PolarHBondContact O-N 3.2Å
162E41.6Very low45.9Very low186 Ų186137.7 Ų137.787%0.86971%0.714SS**G310 helixtrans-58.65-178.3-71.1-178.1138.900115.5P160P160-E162 PolarHBondContact O-N 3.36Å
163H42.4Very low43.7Very low161 Ų161142.5 Ų142.575%0.74573%0.734SS**G310 helixtrans-90.2-6.5-174.4-87.5-69000116.2T161T161-H163 PolarHBondContact O-N 3.2Å
164D39.3Very low42.1Very low123 Ų123151.8 Ų151.866%0.65878%0.777SS**G310 helixtrans-93.4-0.8179-86.2-18.4000114.4
165A37.6Very low41.1Very low78 Ų78152.1 Ų152.165%0.64578%0.784SS**G310 helixtrans-82.5-8.5-179.800000114.4
166T36.9Very low40.2Very low99 Ų99156.2 Ų156.261%0.60780%0.798SS**G310 helixtrans-85.6-8.3-171.3-10.40000114.6H168T166-H168 VanDerWaalsContact C-N 3.31Å; T166-H168 PolarHBondContact O-N 3.21Å
167L38.1Very low39.5Very low172 Ų172158.7 Ų158.790%0.90180%0.804SS**G310 helixtrans-87.66176.3-91.7154.9000114.1
168H36.9Very low38.9Very low181 Ų181159.7 Ų159.784%0.83881%0.807SS**G310 helixtrans-90.18.3176.3-123.4-39.7000114.6T166T166-H168 VanDerWaalsContact C-N 3.31Å; T166-H168 PolarHBondContact O-N 3.21Å
169F35.6Very low38.2Very low181 Ų181160.9 Ų160.979%0.79481%0.813SS**  trans-941-166.8-108.2-82.9000117.9
170E35.9Very low38.2Very low186 Ų186161.1 Ų161.187%0.86982%0.818SS**SBendtrans-122.633.7-166.8-127-172.4-162.600117.1
171K40.6Very low38.2Very low211 Ų211164.7 Ų164.792%0.91783%0.825SS**SBendtrans-134.638.8169-80-163.5175.5-175.20115.3
172K31.8Very low38Very low199 Ų199169.1 Ų169.187%0.86584%0.837SS**SBendtrans-136.972.7169.7-145.5-176-168.6-171.80109.9
173L32.1Very low37.7Very low174 Ų174167.7 Ų167.791%0.91184%0.835SS**  trans173.792159.2-97.2146.2000109.3
174I44.7Very low37.2Very low247 Ų247168.3 Ų168.3100%1.26784%0.843SS**  trans-1770133.3-81.2156.4000105.1

Retrieved 174 of 174 residues in 34.7 ms (Link to these results)

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