A0A060WDX9_ONCMY Loading...

LSM12 homolog a

AlphaFold DB , UniProt , Accession A0A060WDX9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 196 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
1M45.1Very low59.6Low231 Ų23188.3 Ų88.3100%1.13855%0.545SS*.  0109.20-63.1-63.3-161.700107.4
2A42.8Very low62.1Low91 Ų9185.7 Ų85.775%0.75253%0.528SS*.  trans-90.7112169.700000106.8
3A47.6Very low64.3Low84 Ų8480.1 Ų80.169%0.69450%0.498SS*.PPolyproline II helixtrans-57.4149.9164.800000108.7G5A3-G5 PolarHBondContact O-N 2.85Å
4P54.2Low66.3Low72 Ų7274.5 Ų74.547%0.46846%0.463SS..PPolyproline II helixtrans-49.5130.517218.3-28.9000109.2E8P4-E8 WeakPolarHBondContact CA-OE2 3.38Å; P4-E8 HydrophobicContact CB-CB 3.77Å
5G55Low68.1Low27 Ų2774.3 Ų74.328%0.27846%0.455SS..PPolyproline II helixtrans-58.4156.2177.900000110.5A3 G7 E8A3-G5 PolarHBondContact O-N 2.85Å; G5-G7 PolarHBondContact O-N 3.36Å; G5-E8 PolarHBondContact N-OE2 3.46Å; G5-E8 WeakPolarHBondContact O-CB 3.42Å; G5-E8 PolarHBondContact O-N 3.35Å
6P46.5Very low69.8Low148 Ų14869.8 Ų69.896%0.96143%0.426SS*.THydrogen-bonded Turntrans-52.8114.3173.6-21.731.2000110.3
7G58.2Low71.4Confident52 Ų5266.1 Ų66.154%0.53640%0.404SS..THydrogen-bonded Turntrans99.9-0.5-176.900000116.1G5 Y9 Y35G5-G7 PolarHBondContact O-N 3.36Å; G7-Y9 WeakPolarHBondContact O-CD2 3.49Å; G7-Y9 WeakPolarHBondContact O-CE2 3.17Å; G7-Y35 WeakPolarHBondContact O-CE1 2.86Å
8E65.5Low72.7Confident90 Ų9062.4 Ų62.442%0.42138%0.382SS..  trans-83.2110.6170.7-62.9-162.3134.100111P4 G5 Y35P4-E8 WeakPolarHBondContact CA-OE2 3.38Å; P4-E8 HydrophobicContact CB-CB 3.77Å; G5-E8 PolarHBondContact N-OE2 3.46Å; G5-E8 WeakPolarHBondContact O-CB 3.42Å; G5-E8 PolarHBondContact O-N 3.35Å; E8-Y35 VanDerWaalsContact CG-OH 3.31Å; E8-Y35 WeakPolarHBondContact CG-OH 3.26Å
9Y70.5Confident74Confident141 Ų14161.5 Ų61.555%0.55337%0.374SS*.  trans-82.6-29.7-178.8-66-92000112.7G7 F33 Y35G7-Y9 WeakPolarHBondContact O-CD2 3.49Å; G7-Y9 WeakPolarHBondContact O-CE2 3.17Å; Y9-F33 AromaticContact CD2-CE1 3.96Å; Y9-F33 HydrophobicContact CD2-CE1 3.96Å; Y9-F33 HydrophobicContact CD2-CZ 4.41Å; Y9-F33 HydrophobicContact CG-CE1 4.47Å; Y9-Y35 HydrophobicContact CD2-CD1 4.48Å; Y9-Y35 HydrophobicContact CD2-CE1 4.36Å
10F83Confident75Confident21 Ų2159.4 Ų59.49%0.09236%0.361CS..  trans-140.1129.3-174.2-56.2-72.2000111.3V16 V30 F33 L40 L61 V67F10-V16 HydrophobicContact CD1-CG1 4.04Å; F10-V16 HydrophobicContact CE1-CG1 4.39Å; F10-V30 HydrophobicContact CB-CG1 4.04Å; F10-V30 HydrophobicContact CB-CG2 4.35Å; F10-F33 HydrophobicContact CD2-CB 4.4Å; F10-F33 HydrophobicContact CD2-CD1 4.08Å; F10-F33 AromaticContact CD2-CD2 3.66Å; F10-F33 HydrophobicContact CD2-CD2 3.66Å; F10-F33 HydrophobicContact CD2-CE1 4.23Å; F10-F33 AromaticContact CD2-CE2 3.87Å; F10-F33 HydrophobicContact CD2-CE2 3.87Å; F10-F33 AromaticContact CD2-CG 3.78Å; F10-F33 HydrophobicContact CD2-CG 3.78Å; F10-F33 HydrophobicContact CD2-CZ 4.13Å; F10-F33 HydrophobicContact CE2-CD2 4.06Å; F10-F33 AromaticContact CE2-CE2 3.82Å; F10-F33 HydrophobicContact CE2-CE2 3.82Å; F10-F33 HydrophobicContact CE2-CZ 4.08Å; F10-L40 HydrophobicContact CB-CD1 4.38Å; F10-L40 HydrophobicContact CD1-CD1 4.47Å; F10-L40 HydrophobicContact CD2-CD1 3.98Å; F10-L40 HydrophobicContact CE1-CD2 4.38Å; F10-L40 HydrophobicContact CE2-CD1 4.45Å; F10-L40 HydrophobicContact CE2-CD2 4.47Å; F10-L40 HydrophobicContact CG-CD1 3.99Å; F10-L40 HydrophobicContact CZ-CD2 4.28Å; F10-L61 HydrophobicContact CE2-CD1 3.55Å; F10-L61 HydrophobicContact CZ-CD1 3.98Å; F10-V67 HydrophobicContact CE1-CG1 3.48Å; F10-V67 VanDerWaalsContact CE1-CG1 3.48Å; F10-V67 HydrophobicContact CZ-CG1 3.77Å
11S87.6Confident76Confident14 Ų1460.3 Ų60.310%0.09837%0.37CS..  trans-89.3121.1172.1-72.40000110.3G13 S14S11-G13 PolarHBondContact O-N 3.03Å; S11-S14 VanDerWaalsContact CB-OG 3.31Å; S11-S14 WeakPolarHBondContact CB-OG 3.25Å; S11-S14 VanDerWaalsContact O-CB 3.23Å; S11-S14 WeakPolarHBondContact O-CB 3.31Å; S11-S14 PolarHBondContact O-N 3.02Å; S11-S14 PolarHBondContact O-OG 3.32Å
12V89.7Confident78.4Confident57 Ų5756.9 Ų56.935%0.34536%0.355SS..THydrogen-bonded Turntrans-53.2127.2173.9175.90000110.3V30 V31 R73 P77V12-V30 CarbonylContact C-O 3.56Å; V12-V30 WeakPolarHBondContact CA-O 3.24Å; V12-V31 WeakPolarHBondContact CG1-O 3.34Å; V12-R73 WeakPolarHBondContact O-CD 3.48Å; V12-R73 PolarHBondContact O-NH1 3.26Å; V12-P77 HydrophobicContact CG1-CG 4.18Å; V12-P77 WeakPolarHBondContact O-CG 3.49Å
13G90.5Very high80.8Confident13 Ų1355.1 Ų55.113%0.13435%0.346CS..THydrogen-bonded Turntrans98.6-12.9-173.700000114.6S11 V30S11-G13 PolarHBondContact O-N 3.03Å; G13-V30 PolarHBondContact N-O 2.89Å
14S92.3Very high83.1Confident2 Ų256.7 Ų56.71%0.01434%0.339CS..  trans-74.8153.2175.7-46.90000110.3S11 E29 V30 N71 R73S11-S14 VanDerWaalsContact CB-OG 3.31Å; S11-S14 WeakPolarHBondContact CB-OG 3.25Å; S11-S14 VanDerWaalsContact O-CB 3.23Å; S11-S14 WeakPolarHBondContact O-CB 3.31Å; S11-S14 PolarHBondContact O-N 3.02Å; S11-S14 PolarHBondContact O-OG 3.32Å; S14-E29 CarbonylContact O-C 3.56Å; S14-E29 WeakPolarHBondContact O-CA 3.14Å; S14-V30 WeakPolarHBondContact O-CG2 3.37Å; S14-V30 PolarHBondContact O-N 3.23Å; S14-N71 CarbonylContact C-O 3.52Å; S14-N71 WeakPolarHBondContact CA-O 3.39Å; S14-N71 WeakPolarHBondContact CB-O 3.29Å; S14-R73 PolarHBondContact OG-N 3.46Å
15H93.9Very high85Confident72 Ų7259.5 Ų59.533%0.33335%0.346SS..EExtended strand (participates in β ladder)trans-98.9130.9172.8-73.554.6000110.1G28 I70 N71H15-G28 WeakPolarHBondContact CA-O 3.34Å; H15-I70 PolarHBondContact O-N 3.36Å; H15-N71 HydrophobicContact CB-CB 4.19Å; H15-N71 PolarHBondContact N-O 2.78Å; H15-N71 PolarHBondContact O-N 3.21Å
16V95.2Very high86.9Confident1 Ų159.4 Ų59.41%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-129.3152.7-177.7-58.90000111.1F10 Q27 G28 V30 L40 L42 D68 I69F10-V16 HydrophobicContact CD1-CG1 4.04Å; F10-V16 HydrophobicContact CE1-CG1 4.39Å; V16-Q27 WeakPolarHBondContact O-CA 3.27Å; V16-G28 PolarHBondContact N-O 3.09Å; V16-G28 PolarHBondContact O-N 3.33Å; V16-G28 VanDerWaalsContact O-N 3.17Å; V16-V30 HydrophobicContact CB-CG2 4.37Å; V16-V30 HydrophobicContact CG1-CG2 3.68Å; V16-V30 HydrophobicContact CG2-CG2 3.72Å; V16-L40 HydrophobicContact CG2-CD2 4.12Å; V16-L42 HydrophobicContact CG2-CD1 4Å; V16-L42 HydrophobicContact CG2-CD2 3.43Å; V16-L42 VanDerWaalsContact CG2-CD2 3.43Å; V16-L42 HydrophobicContact CG2-CG 4.38Å; V16-D68 CarbonylContact C-O 3.58Å; V16-D68 WeakPolarHBondContact CA-O 3.3Å; V16-D68 WeakPolarHBondContact CB-O 3.34Å; V16-I69 HydrophobicContact CG1-CG1 4.18Å
17S95.6Very high89.3Confident7 Ų757.5 Ų57.55%0.04932%0.317CS..EExtended strand (participates in β ladder)trans-113.2130.9170.4173.30000108.2Q25 L26 V67 D68S17-Q25 PolarHBondContact OG-NE2 2.92Å; S17-L26 CarbonylContact C-O 3.56Å; S17-L26 WeakPolarHBondContact CA-O 3.4Å; S17-V67 WeakPolarHBondContact O-CA 3.32Å; S17-D68 PolarHBondContact N-O 3.1Å; S17-D68 PolarHBondContact O-N 2.91Å
18C95.6Very high91Very high0 Ų055.3 Ų55.30%029%0.294CS..EExtended strand (participates in β ladder)trans-120.2124.6176.7-64.30000108.9Q25 L26 I59 V64 E66C18-Q25 CarbonylContact O-C 3.52Å; C18-Q25 WeakPolarHBondContact O-CA 3.46Å; C18-L26 HydrophobicContact CB-CB 4.48Å; C18-L26 PolarHBondContact N-O 3.43Å; C18-L26 PolarHBondContact O-N 2.73Å; C18-I59 HydrophobicContact CB-CD1 4.26Å; C18-V64 HydrophobicContact CB-CG1 4Å; C18-E66 WeakPolarHBondContact CA-O 3.34Å
19L96.9Very high92.4Very high46 Ų4653.8 Ų53.824%0.24129%0.287CS..EExtended strand (participates in β ladder)trans-95114.8168.3-175.263.1000108.6V64 S65 E66L19-V64 CarbonylContact O-C 3.51Å; L19-V64 WeakPolarHBondContact O-CA 3.29Å; L19-V64 VanDerWaalsContact O-CG1 3.3Å; L19-V64 WeakPolarHBondContact O-CG1 3.22Å; L19-S65 PolarHBondContact O-N 3.14Å; L19-S65 PolarHBondContact O-OG 3.49Å; L19-E66 HydrophobicContact CB-CB 4.05Å; L19-E66 HydrophobicContact CD2-CG 4.47Å; L19-E66 PolarHBondContact N-O 3.5Å; L19-E66 PolarHBondContact O-N 2.96Å
20T95.1Very high93.5Very high18 Ų1847.1 Ų47.111%0.1126%0.261CS..EExtended strand (participates in β ladder)trans-70.4159.9175.665.70000111.1L22 G23 Q24 L26 Y63T20-L22 PolarHBondContact O-N 2.88Å; T20-L22 PolarHBondContact OG1-N 3.45Å; T20-G23 PolarHBondContact O-N 2.97Å; T20-Q24 HydrophobicContact CG2-CB 4.33Å; T20-Q24 WeakPolarHBondContact CG2-O 3.5Å; T20-Q24 PolarHBondContact N-O 3.39Å; T20-Q24 WeakPolarHBondContact OG1-CA 3.4Å; T20-Q24 VanDerWaalsContact OG1-CB 3.31Å; T20-Q24 WeakPolarHBondContact OG1-CB 3.34Å; T20-Q24 PolarHBondContact OG1-N 3.07Å; T20-Q24 PolarHBondContact OG1-O 3.3Å; T20-Q24 VanDerWaalsContact OG1-O 3.06Å; T20-L26 HydrophobicContact CG2-CD1 3.96Å; T20-L26 HydrophobicContact CG2-CG 4.44Å; T20-Y63 CarbonylContact C-O 3.53Å; T20-Y63 WeakPolarHBondContact CA-O 3.34Å
21C94.4Very high94Very high80 Ų8049.2 Ų49.254%0.54128%0.275SS..THydrogen-bonded Turntrans-62.4-10.1174.464.70000114.2Y63C21-Y63 PolarHBondContact N-O 3.49Å
22L95.5Very high94.2Very high159 Ų15950.5 Ų50.583%0.83229%0.287SS*.THydrogen-bonded Turntrans-97.16.3173.7-59.4-179.5000112.7T20 Q24T20-L22 PolarHBondContact O-N 2.88Å; T20-L22 PolarHBondContact OG1-N 3.45Å; L22-Q24 VanDerWaalsContact C-N 3.29Å; L22-Q24 PolarHBondContact O-N 3.43Å
23G94.3Very high94.3Very high54 Ų5448.9 Ų48.956%0.55728%0.276SS*.SBendtrans78.66.6-179.200000114.6T20T20-G23 PolarHBondContact O-N 2.97Å
24Q95.1Very high94.4Very high116 Ų11651.9 Ų51.954%0.54229%0.289SS..  trans-77.9127.6172.8-176.8-177.216.700110.1T20 L22 L26T20-Q24 HydrophobicContact CG2-CB 4.33Å; T20-Q24 WeakPolarHBondContact CG2-O 3.5Å; T20-Q24 PolarHBondContact N-O 3.39Å; T20-Q24 WeakPolarHBondContact OG1-CA 3.4Å; T20-Q24 VanDerWaalsContact OG1-CB 3.31Å; T20-Q24 WeakPolarHBondContact OG1-CB 3.34Å; T20-Q24 PolarHBondContact OG1-N 3.07Å; T20-Q24 PolarHBondContact OG1-O 3.3Å; T20-Q24 VanDerWaalsContact OG1-O 3.06Å; L22-Q24 VanDerWaalsContact C-N 3.29Å; L22-Q24 PolarHBondContact O-N 3.43Å; Q24-L26 HydrophobicContact CG-CD2 4.12Å; Q24-L26 HydrophobicContact CG-CG 4.41Å
25Q95.4Very high94.2Very high132 Ų13256 Ų5662%0.61730%0.304SS*.EExtended strand (participates in β ladder)trans-93.5128.6173.5-170166.9-1.300110.9S17 C18S17-Q25 PolarHBondContact OG-NE2 2.92Å; C18-Q25 CarbonylContact O-C 3.52Å; C18-Q25 WeakPolarHBondContact O-CA 3.46Å
26L94.9Very high93.9Very high24 Ų2461.3 Ų61.313%0.12633%0.329CS..EExtended strand (participates in β ladder)trans-121.6129.5179.2-61174.8000109S17 C18 T20 Q24 I57 I59S17-L26 CarbonylContact C-O 3.56Å; S17-L26 WeakPolarHBondContact CA-O 3.4Å; C18-L26 HydrophobicContact CB-CB 4.48Å; C18-L26 PolarHBondContact N-O 3.43Å; C18-L26 PolarHBondContact O-N 2.73Å; T20-L26 HydrophobicContact CG2-CD1 3.96Å; T20-L26 HydrophobicContact CG2-CG 4.44Å; Q24-L26 HydrophobicContact CG-CD2 4.12Å; Q24-L26 HydrophobicContact CG-CG 4.41Å; L26-I57 HydrophobicContact CD1-CG2 4.5Å; L26-I57 HydrophobicContact CD2-CD1 4.35Å; L26-I59 HydrophobicContact CB-CD1 4.13Å; L26-I59 HydrophobicContact CD1-CD1 3.74Å; L26-I59 HydrophobicContact CD1-CG1 4.09Å
27Q95.3Very high93.7Very high108 Ų10864 Ų6451%0.50535%0.349SS..EExtended strand (participates in β ladder)trans-130.5137.4-178.9-178.4177.9-8.900110.7V16 C44 I70V16-Q27 WeakPolarHBondContact O-CA 3.27Å; Q27-C44 PolarHBondContact O-SG 2.84Å; Q27-I70 HydrophobicContact CG-CD1 3.62Å; Q27-I70 VanDerWaalsContact NE2-CD1 3.3Å
28G95.3Very high93.5Very high6 Ų667.5 Ų67.56%0.06236%0.363CS..EExtended strand (participates in β ladder)trans-176.8176.5177.500000114.1H15 V16 K43H15-G28 WeakPolarHBondContact CA-O 3.34Å; V16-G28 PolarHBondContact N-O 3.09Å; V16-G28 PolarHBondContact O-N 3.33Å; V16-G28 VanDerWaalsContact O-N 3.17Å; G28-K43 CarbonylContact C-O 3.59Å; G28-K43 VanDerWaalsContact CA-O 3.28Å; G28-K43 WeakPolarHBondContact CA-O 3.47Å
29E94.3Very high93.5Very high58 Ų5869.8 Ų69.827%0.27137%0.374SS..EExtended strand (participates in β ladder)trans-79.5130.2174-172.9-169167.300109.6S14 V31 L42 K43S14-E29 CarbonylContact O-C 3.56Å; S14-E29 WeakPolarHBondContact O-CA 3.14Å; E29-V31 PolarHBondContact O-N 2.91Å; E29-L42 CarbonylContact O-C 3.58Å; E29-L42 WeakPolarHBondContact O-CA 3.37Å; E29-K43 HydrophobicContact CB-CB 4.43Å; E29-K43 PolarHBondContact N-O 3.13Å; E29-K43 PolarHBondContact O-N 3.3Å; E29-K43 IonicContact OE2-NZ 3.98Å
30V94.1Very high93.4Very high1 Ų167.6 Ų67.61%0.00636%0.362CS..EExtended strand (participates in β ladder)trans-68.3114.8176.1179.30000109.6F10 V12 G13 S14 V16 L40 L42F10-V30 HydrophobicContact CB-CG1 4.04Å; F10-V30 HydrophobicContact CB-CG2 4.35Å; V12-V30 CarbonylContact C-O 3.56Å; V12-V30 WeakPolarHBondContact CA-O 3.24Å; G13-V30 PolarHBondContact N-O 2.89Å; S14-V30 WeakPolarHBondContact O-CG2 3.37Å; S14-V30 PolarHBondContact O-N 3.23Å; V16-V30 HydrophobicContact CB-CG2 4.37Å; V16-V30 HydrophobicContact CG1-CG2 3.68Å; V16-V30 HydrophobicContact CG2-CG2 3.72Å; V30-L40 HydrophobicContact CG1-CD1 3.86Å; V30-L40 HydrophobicContact CG2-CD1 4.12Å; V30-L42 HydrophobicContact CG2-CD2 3.98Å
31V92.7Very high93.5Very high65 Ų6567.9 Ų67.939%0.39436%0.364SS..EExtended strand (participates in β ladder)trans-93.2-40.5176.4-179.80000111.3V12 E29 T41 K43V12-V31 WeakPolarHBondContact CG1-O 3.34Å; E29-V31 PolarHBondContact O-N 2.91Å; V31-T41 HydrophobicContact CB-CG2 4.18Å; V31-T41 PolarHBondContact N-O 3.48Å; V31-K43 HydrophobicContact CG2-CB 3.48Å; V31-K43 VanDerWaalsContact CG2-CB 3.48Å
32A92.1Very high93.6Very high42 Ų4264.1 Ų64.135%0.34734%0.339SS..EExtended strand (participates in β ladder)trans-158.1154-178.600000110.3T41A32-T41 PolarHBondContact O-N 3.32Å
33F92.3Very high93.5Very high23 Ų2360.7 Ų60.710%0.10132%0.317CS..EExtended strand (participates in β ladder)trans-135.7122170.7-179.2-117.3000109.3Y9 F10 Y35 K38 M39 L40 L61Y9-F33 AromaticContact CD2-CE1 3.96Å; Y9-F33 HydrophobicContact CD2-CE1 3.96Å; Y9-F33 HydrophobicContact CD2-CZ 4.41Å; Y9-F33 HydrophobicContact CG-CE1 4.47Å; F10-F33 HydrophobicContact CD2-CB 4.4Å; F10-F33 HydrophobicContact CD2-CD1 4.08Å; F10-F33 AromaticContact CD2-CD2 3.66Å; F10-F33 HydrophobicContact CD2-CD2 3.66Å; F10-F33 HydrophobicContact CD2-CE1 4.23Å; F10-F33 AromaticContact CD2-CE2 3.87Å; F10-F33 HydrophobicContact CD2-CE2 3.87Å; F10-F33 AromaticContact CD2-CG 3.78Å; F10-F33 HydrophobicContact CD2-CG 3.78Å; F10-F33 HydrophobicContact CD2-CZ 4.13Å; F10-F33 HydrophobicContact CE2-CD2 4.06Å; F10-F33 AromaticContact CE2-CE2 3.82Å; F10-F33 HydrophobicContact CE2-CE2 3.82Å; F10-F33 HydrophobicContact CE2-CZ 4.08Å; F33-Y35 AromaticContact CD1-CD1 3.66Å; F33-Y35 HydrophobicContact CD1-CD1 3.66Å; F33-Y35 HydrophobicContact CD1-CD2 4.26Å; F33-Y35 AromaticContact CD1-CE1 3.52Å; F33-Y35 HydrophobicContact CD1-CE1 3.52Å; F33-Y35 HydrophobicContact CD1-CE2 4.18Å; F33-Y35 HydrophobicContact CD1-CG 4.02Å; F33-Y35 AromaticContact CD1-CZ 3.81Å; F33-Y35 AromaticContact CE1-CD1 3.45Å; F33-Y35 HydrophobicContact CE1-CD1 3.45Å; F33-Y35 VanDerWaalsContact CE1-CD1 3.45Å; F33-Y35 AromaticContact CE1-CE1 3.63Å; F33-Y35 HydrophobicContact CE1-CE1 3.63Å; F33-Y35 HydrophobicContact CE1-CG 4.04Å; F33-K38 HydrophobicContact CZ-CD 3.89Å; F33-M39 WeakPolarHBondContact CA-O 3.38Å; F33-M39 WeakPolarHBondContact CD2-O 3.3Å; F33-L40 HydrophobicContact CB-CD1 4.49Å; F33-L40 HydrophobicContact CD2-CB 4.1Å; F33-L40 HydrophobicContact CD2-CD1 4.19Å; F33-L61 HydrophobicContact CD2-CD1 4.49Å; F33-L61 HydrophobicContact CE2-CD1 3.49Å; F33-L61 VanDerWaalsContact CE2-CD1 3.49Å; F33-L61 HydrophobicContact CE2-CG 4.41Å; F33-L61 HydrophobicContact CZ-CD1 4.01Å
34D91.8Very high93.5Very high76 Ų7658.9 Ų58.941%0.40630%0.296SS..EExtended strand (participates in β ladder)trans-89.6112.8170.3178.647.8000110.1Q36 S37 K38 M39D34-Q36 VanDerWaalsContact C-N 3.31Å; D34-Q36 PolarHBondContact O-N 3.26Å; D34-S37 WeakPolarHBondContact OD2-CB 3.47Å; D34-S37 PolarHBondContact OD2-N 3.07Å; D34-S37 PolarHBondContact OD2-OG 2.87Å; D34-K38 VanDerWaalsContact O-CA 3.24Å; D34-K38 WeakPolarHBondContact O-CA 3.46Å; D34-K38 PolarHBondContact O-N 2.98Å; D34-M39 HydrophobicContact CB-CB 4.35Å; D34-M39 PolarHBondContact N-O 3.27Å; D34-M39 PolarHBondContact O-N 2.79Å
35Y88.1Confident93.3Very high88 Ų8857.4 Ų57.435%0.34530%0.303SS..THydrogen-bonded Turntrans-66.8-31.1-175.3-71.8-82.2000113.6G7 E8 Y9 F33 K38G7-Y35 WeakPolarHBondContact O-CE1 2.86Å; E8-Y35 VanDerWaalsContact CG-OH 3.31Å; E8-Y35 WeakPolarHBondContact CG-OH 3.26Å; Y9-Y35 HydrophobicContact CD2-CD1 4.48Å; Y9-Y35 HydrophobicContact CD2-CE1 4.36Å; F33-Y35 AromaticContact CD1-CD1 3.66Å; F33-Y35 HydrophobicContact CD1-CD1 3.66Å; F33-Y35 HydrophobicContact CD1-CD2 4.26Å; F33-Y35 AromaticContact CD1-CE1 3.52Å; F33-Y35 HydrophobicContact CD1-CE1 3.52Å; F33-Y35 HydrophobicContact CD1-CE2 4.18Å; F33-Y35 HydrophobicContact CD1-CG 4.02Å; F33-Y35 AromaticContact CD1-CZ 3.81Å; F33-Y35 AromaticContact CE1-CD1 3.45Å; F33-Y35 HydrophobicContact CE1-CD1 3.45Å; F33-Y35 VanDerWaalsContact CE1-CD1 3.45Å; F33-Y35 AromaticContact CE1-CE1 3.63Å; F33-Y35 HydrophobicContact CE1-CE1 3.63Å; F33-Y35 HydrophobicContact CE1-CG 4.04Å; Y35-K38 WeakPolarHBondContact O-CD 3.17Å; Y35-K38 VanDerWaalsContact O-CE 3.23Å; Y35-K38 WeakPolarHBondContact O-CE 3.44Å; Y35-K38 PolarHBondContact O-NZ 3.15Å
36Q88.5Confident93.2Very high183 Ų18352.8 Ų52.886%0.85529%0.285SS*.THydrogen-bonded Turntrans-77-51.8-175.2-174.9176.8-0.300111.1D34 K38D34-Q36 VanDerWaalsContact C-N 3.31Å; D34-Q36 PolarHBondContact O-N 3.26Å; Q36-K38 VanDerWaalsContact C-N 3.34Å
37S90.6Very high92.9Very high59 Ų5956.8 Ų56.841%0.41332%0.315SS..THydrogen-bonded Turntrans-86.7-4.1179.565.90000113.9D34 M39D34-S37 WeakPolarHBondContact OD2-CB 3.47Å; D34-S37 PolarHBondContact OD2-N 3.07Å; D34-S37 PolarHBondContact OD2-OG 2.87Å; S37-M39 PolarHBondContact O-N 2.57Å; S37-M39 WeakPolarHBondContact OG-CG 3.45Å
38K92Very high92.7Very high80 Ų8054.9 Ų54.935%0.34831%0.313SS..THydrogen-bonded Turntrans54.741.2-175.6-55.2-62.1-178.2-165.50111.9F33 D34 Y35 Q36 L61F33-K38 HydrophobicContact CZ-CD 3.89Å; D34-K38 VanDerWaalsContact O-CA 3.24Å; D34-K38 WeakPolarHBondContact O-CA 3.46Å; D34-K38 PolarHBondContact O-N 2.98Å; Y35-K38 WeakPolarHBondContact O-CD 3.17Å; Y35-K38 VanDerWaalsContact O-CE 3.23Å; Y35-K38 WeakPolarHBondContact O-CE 3.44Å; Y35-K38 PolarHBondContact O-NZ 3.15Å; Q36-K38 VanDerWaalsContact C-N 3.34Å; K38-L61 HydrophobicContact CB-CB 4.29Å; K38-L61 WeakPolarHBondContact O-CB 3.33Å; K38-L61 WeakPolarHBondContact O-CG 3.3Å; K38-L61 PolarHBondContact O-N 3.42Å
39M95.1Very high92.4Very high47 Ų4757.8 Ų57.823%0.23234%0.344CS..EExtended strand (participates in β ladder)trans-96.1118.8177.7-66.6-66.3-57.700110.1F33 D34 S37 L58 I59 N60F33-M39 WeakPolarHBondContact CA-O 3.38Å; F33-M39 WeakPolarHBondContact CD2-O 3.3Å; D34-M39 HydrophobicContact CB-CB 4.35Å; D34-M39 PolarHBondContact N-O 3.27Å; D34-M39 PolarHBondContact O-N 2.79Å; S37-M39 PolarHBondContact O-N 2.57Å; S37-M39 WeakPolarHBondContact OG-CG 3.45Å; M39-L58 HydrophobicContact CE-CB 3.91Å; M39-I59 CarbonylContact C-O 3.48Å; M39-I59 WeakPolarHBondContact CA-O 3.42Å; M39-N60 HydrophobicContact CE-CB 4.22Å; M39-N60 WeakPolarHBondContact SD-CA 3.3Å; M39-N60 HydrophobicContact SD-CB 3.43Å; M39-N60 WeakPolarHBondContact SD-CB 3.43Å
40L95.1Very high92.2Very high0 Ų061.3 Ų61.30%036%0.358CS..EExtended strand (participates in β ladder)trans-99.3123.6176.7177.563.5000110F10 V16 V30 F33 L42 I59 L61F10-L40 HydrophobicContact CB-CD1 4.38Å; F10-L40 HydrophobicContact CD1-CD1 4.47Å; F10-L40 HydrophobicContact CD2-CD1 3.98Å; F10-L40 HydrophobicContact CE1-CD2 4.38Å; F10-L40 HydrophobicContact CE2-CD1 4.45Å; F10-L40 HydrophobicContact CE2-CD2 4.47Å; F10-L40 HydrophobicContact CG-CD1 3.99Å; F10-L40 HydrophobicContact CZ-CD2 4.28Å; V16-L40 HydrophobicContact CG2-CD2 4.12Å; V30-L40 HydrophobicContact CG1-CD1 3.86Å; V30-L40 HydrophobicContact CG2-CD1 4.12Å; F33-L40 HydrophobicContact CB-CD1 4.49Å; F33-L40 HydrophobicContact CD2-CB 4.1Å; F33-L40 HydrophobicContact CD2-CD1 4.19Å; L40-L42 HydrophobicContact CD1-CD2 4.07Å; L40-L42 HydrophobicContact CD2-CD2 3.96Å; L40-L42 HydrophobicContact CD2-CG 4.37Å; L40-L42 HydrophobicContact CG-CD2 3.79Å; L40-L42 HydrophobicContact CG-CG 4.22Å; L40-I59 HydrophobicContact CB-CB 4.42Å; L40-I59 PolarHBondContact N-O 3.14Å; L40-I59 PolarHBondContact O-N 3.04Å; L40-L61 HydrophobicContact CB-CD2 4.03Å; L40-L61 HydrophobicContact CB-CG 4.27Å; L40-L61 HydrophobicContact CD2-CD2 4.06Å
41T96.5Very high91.9Very high25 Ų2566.5 Ų66.515%0.15340%0.401CS..EExtended strand (participates in β ladder)trans-100.1118.1175.4-53.10000109.8V31 A32 V56 I57 L58V31-T41 HydrophobicContact CB-CG2 4.18Å; V31-T41 PolarHBondContact N-O 3.48Å; A32-T41 PolarHBondContact O-N 3.32Å; T41-V56 HydrophobicContact CG2-CG1 3.59Å; T41-I57 CarbonylContact C-O 3.58Å; T41-I57 WeakPolarHBondContact CA-O 3.5Å; T41-L58 HydrophobicContact CG2-CD1 4.25Å
42L95.8Very high91.8Very high0 Ų070.2 Ų70.20%042%0.418CS..EExtended strand (participates in β ladder)trans-107.9140.6176-58.9-171.1000111.5V16 E29 V30 L40 V56 I57 I59V16-L42 HydrophobicContact CG2-CD1 4Å; V16-L42 HydrophobicContact CG2-CD2 3.43Å; V16-L42 VanDerWaalsContact CG2-CD2 3.43Å; V16-L42 HydrophobicContact CG2-CG 4.38Å; E29-L42 CarbonylContact O-C 3.58Å; E29-L42 WeakPolarHBondContact O-CA 3.37Å; V30-L42 HydrophobicContact CG2-CD2 3.98Å; L40-L42 HydrophobicContact CD1-CD2 4.07Å; L40-L42 HydrophobicContact CD2-CD2 3.96Å; L40-L42 HydrophobicContact CD2-CG 4.37Å; L40-L42 HydrophobicContact CG-CD2 3.79Å; L40-L42 HydrophobicContact CG-CG 4.22Å; L42-V56 CarbonylContact O-C 3.58Å; L42-V56 WeakPolarHBondContact O-CA 3.49Å; L42-I57 PolarHBondContact N-O 2.84Å; L42-I57 PolarHBondContact O-N 2.87Å; L42-I59 HydrophobicContact CD1-CD1 3.5Å; L42-I59 VanDerWaalsContact CD1-CD1 3.5Å; L42-I59 HydrophobicContact CG-CD1 3.89Å
43K94.6Very high91.8Very high88 Ų8870.9 Ų70.938%0.38342%0.418SS..EExtended strand (participates in β ladder)trans-97.1117163.1178.3-174.8171.8-161.20108.4G28 E29 V31 S54 D55G28-K43 CarbonylContact C-O 3.59Å; G28-K43 VanDerWaalsContact CA-O 3.28Å; G28-K43 WeakPolarHBondContact CA-O 3.47Å; E29-K43 HydrophobicContact CB-CB 4.43Å; E29-K43 PolarHBondContact N-O 3.13Å; E29-K43 PolarHBondContact O-N 3.3Å; E29-K43 IonicContact OE2-NZ 3.98Å; V31-K43 HydrophobicContact CG2-CB 3.48Å; V31-K43 VanDerWaalsContact CG2-CB 3.48Å; K43-S54 WeakPolarHBondContact CE-OG 3.39Å; K43-D55 CarbonylContact C-O 3.56Å; K43-D55 WeakPolarHBondContact CA-O 3.28Å
44C93.8Very high91.8Very high16 Ų1672.3 Ų72.311%0.10843%0.431CS..EExtended strand (participates in β ladder)trans-111.1164.8-175.8-60.20000110.7Q27 D55 I57Q27-C44 PolarHBondContact O-SG 2.84Å; C44-D55 HydrophobicContact CB-CB 4.26Å; C44-D55 PolarHBondContact N-O 3.34Å; C44-D55 PolarHBondContact O-N 3.33Å; C44-I57 HydrophobicContact CB-CD1 4.24Å; C44-I57 VanDerWaalsContact SG-CD1 3.59Å
45A90.9Very high92Very high84 Ų8470.9 Ų70.969%0.69442%0.423SS*.  trans-57.4142.1170.100000110.3S47A45-S47 PolarHBondContact O-N 3.45Å
46P92.6Very high92.3Very high36 Ų3671 Ų7123%0.23443%0.433CS..  trans-69.6121.8-175.227.6-34.3000111.7S48 G49 K50 V53P46-S48 PolarHBondContact O-N 3.21Å; P46-G49 PolarHBondContact O-N 2.89Å; P46-K50 VanDerWaalsContact CG-O 3.28Å; P46-K50 WeakPolarHBondContact CG-O 3.35Å; P46-V53 HydrophobicContact CB-CG2 3.74Å; P46-V53 WeakPolarHBondContact CB-O 3.48Å; P46-V53 WeakPolarHBondContact CG-O 3.48Å
47S89.8Confident92.7Very high108 Ų10864.9 Ų64.976%0.75541%0.405SS*.THydrogen-bonded Turntrans-61.8-23.7171.752.90000113A45 G49 D55A45-S47 PolarHBondContact O-N 3.45Å; S47-G49 VanDerWaalsContact C-N 3.3Å; S47-G49 PolarHBondContact O-N 3.31Å; S47-D55 WeakPolarHBondContact CB-OD2 3.37Å; S47-D55 PolarHBondContact N-OD1 2.96Å; S47-D55 PolarHBondContact N-OD2 2.88Å; S47-D55 PolarHBondContact OG-OD1 3.35Å; S47-D55 PolarHBondContact OG-OD2 3.48Å
48S90.1Very high92.9Very high67 Ų6767.4 Ų67.447%0.46941%0.414SS..THydrogen-bonded Turntrans-76.3-9.6177.869.50000115.1P46 K50 V53P46-S48 PolarHBondContact O-N 3.21Å; S48-K50 PolarHBondContact O-N 3.42Å; S48-V53 WeakPolarHBondContact OG-CG2 3.36Å
49G89Confident93.1Very high68 Ų6864 Ų6470%0.70140%0.4SS*.  trans72.3-0.2-176.300000115.5P46 S47P46-G49 PolarHBondContact O-N 2.89Å; S47-G49 VanDerWaalsContact C-N 3.3Å; S47-G49 PolarHBondContact O-N 3.31Å
50K91.4Very high93.1Very high132 Ų13264.3 Ų64.357%0.57440%0.402SS*.  trans-80.9120.3177.4-65.5179-177.1176.80110.5P46 S48 N52 V53P46-K50 VanDerWaalsContact CG-O 3.28Å; P46-K50 WeakPolarHBondContact CG-O 3.35Å; S48-K50 PolarHBondContact O-N 3.42Å; K50-N52 PolarHBondContact O-N 3.32Å; K50-N52 VanDerWaalsContact O-N 3.14Å; K50-V53 HydrophobicContact CB-CG2 3.89Å; K50-V53 WeakPolarHBondContact O-CG2 3.41Å; K50-V53 PolarHBondContact O-N 2.94Å
51A87.5Confident93.1Very high109 Ų10966 Ų6690%0.90141%0.411SS*.THydrogen-bonded Turntrans-64.8-19.6-174.400000115.1
52N89.2Confident93Very high143 Ų14368.5 Ų68.577%0.76543%0.434SS*.THydrogen-bonded Turntrans-96.99-176.468.1-44.3000114K50K50-N52 PolarHBondContact O-N 3.32Å; K50-N52 VanDerWaalsContact O-N 3.14Å
53V92.6Very high93Very high56 Ų5676 Ų7634%0.33946%0.463SS..  trans-126.8166.7175-520000109.7P46 S48 K50P46-V53 HydrophobicContact CB-CG2 3.74Å; P46-V53 WeakPolarHBondContact CB-O 3.48Å; P46-V53 WeakPolarHBondContact CG-O 3.48Å; S48-V53 WeakPolarHBondContact OG-CG2 3.36Å; K50-V53 HydrophobicContact CB-CG2 3.89Å; K50-V53 WeakPolarHBondContact O-CG2 3.41Å; K50-V53 PolarHBondContact O-N 2.94Å
54S93.4Very high93Very high54 Ų5472.8 Ų72.838%0.37845%0.452SS..  trans-142.4150.2175.3-52.90000108.4K43K43-S54 WeakPolarHBondContact CE-OG 3.39Å
55D95.1Very high93.1Very high46 Ų4675.5 Ų75.525%0.24647%0.47CS..EExtended strand (participates in β ladder)trans-83.4132.4172.6-69.2-0.4000107.8K43 C44 S47K43-D55 CarbonylContact C-O 3.56Å; K43-D55 WeakPolarHBondContact CA-O 3.28Å; C44-D55 HydrophobicContact CB-CB 4.26Å; C44-D55 PolarHBondContact N-O 3.34Å; C44-D55 PolarHBondContact O-N 3.33Å; S47-D55 WeakPolarHBondContact CB-OD2 3.37Å; S47-D55 PolarHBondContact N-OD1 2.96Å; S47-D55 PolarHBondContact N-OD2 2.88Å; S47-D55 PolarHBondContact OG-OD1 3.35Å; S47-D55 PolarHBondContact OG-OD2 3.48Å
56V95.7Very high93.3Very high90 Ų9077 Ų7755%0.54546%0.463SS..EExtended strand (participates in β ladder)trans-112.2116.2176.1-179.70000107.7T41 L42 L58T41-V56 HydrophobicContact CG2-CG1 3.59Å; L42-V56 CarbonylContact O-C 3.58Å; L42-V56 WeakPolarHBondContact O-CA 3.49Å; V56-L58 HydrophobicContact CG1-CD1 4.38Å
57I95.3Very high93.3Very high54 Ų5477.8 Ų77.828%0.27747%0.467SS..EExtended strand (participates in β ladder)trans-113.2130.6-174.3-51.9-177.5000108.8L26 T41 L42 C44 I59L26-I57 HydrophobicContact CD1-CG2 4.5Å; L26-I57 HydrophobicContact CD2-CD1 4.35Å; T41-I57 CarbonylContact C-O 3.58Å; T41-I57 WeakPolarHBondContact CA-O 3.5Å; L42-I57 PolarHBondContact N-O 2.84Å; L42-I57 PolarHBondContact O-N 2.87Å; C44-I57 HydrophobicContact CB-CD1 4.24Å; C44-I57 VanDerWaalsContact SG-CD1 3.59Å; I57-I59 HydrophobicContact CG2-CD1 4.47Å; I57-I59 HydrophobicContact CG2-CG1 3.85Å
58L96.3Very high93.4Very high112 Ų11277.1 Ų77.159%0.58646%0.455SS*.EExtended strand (participates in β ladder)trans-101.3118.3171.8-78.573.6000108.5M39 T41 V56M39-L58 HydrophobicContact CE-CB 3.91Å; T41-L58 HydrophobicContact CG2-CD1 4.25Å; V56-L58 HydrophobicContact CG1-CD1 4.38Å
59I95.5Very high93.5Very high10 Ų1078.1 Ų78.15%0.05145%0.454CS..EExtended strand (participates in β ladder)trans-111.8119.9-174.9-54.2177.1000108.5C18 L26 M39 L40 L42 I57 L61 V64C18-I59 HydrophobicContact CB-CD1 4.26Å; L26-I59 HydrophobicContact CB-CD1 4.13Å; L26-I59 HydrophobicContact CD1-CD1 3.74Å; L26-I59 HydrophobicContact CD1-CG1 4.09Å; M39-I59 CarbonylContact C-O 3.48Å; M39-I59 WeakPolarHBondContact CA-O 3.42Å; L40-I59 HydrophobicContact CB-CB 4.42Å; L40-I59 PolarHBondContact N-O 3.14Å; L40-I59 PolarHBondContact O-N 3.04Å; L42-I59 HydrophobicContact CD1-CD1 3.5Å; L42-I59 VanDerWaalsContact CD1-CD1 3.5Å; L42-I59 HydrophobicContact CG-CD1 3.89Å; I57-I59 HydrophobicContact CG2-CD1 4.47Å; I57-I59 HydrophobicContact CG2-CG1 3.85Å; I59-L61 HydrophobicContact CG2-CD2 4.41Å; I59-L61 PolarHBondContact O-N 2.82Å; I59-V64 HydrophobicContact CG2-CG2 3.36Å
60N95.3Very high93.7Very high53 Ų5379 Ų7928%0.28344%0.442SS..EExtended strand (participates in β ladder)trans-80.5113.5168.2-177.1-14.6000108.8M39 A62 Y63M39-N60 HydrophobicContact CE-CB 4.22Å; M39-N60 WeakPolarHBondContact SD-CA 3.3Å; M39-N60 HydrophobicContact SD-CB 3.43Å; M39-N60 WeakPolarHBondContact SD-CB 3.43Å; N60-A62 PolarHBondContact O-N 2.81Å; N60-A62 VanDerWaalsContact O-N 3.11Å; N60-A62 VanDerWaalsContact OD1-CB 3.24Å; N60-A62 WeakPolarHBondContact OD1-CB 3.39Å; N60-A62 PolarHBondContact OD1-N 2.92Å; N60-Y63 HydrophobicContact CB-CD2 3.96Å; N60-Y63 HydrophobicContact CB-CE2 4.44Å; N60-Y63 PolarHBondContact O-N 3.3Å
61L94.1Very high93.7Very high34 Ų3477 Ų7718%0.17844%0.437CS..G310 helixtrans-65.2-15-176.7-64.3-176.9000113.7F10 F33 K38 L40 I59 Y63 V64 V67F10-L61 HydrophobicContact CE2-CD1 3.55Å; F10-L61 HydrophobicContact CZ-CD1 3.98Å; F33-L61 HydrophobicContact CD2-CD1 4.49Å; F33-L61 HydrophobicContact CE2-CD1 3.49Å; F33-L61 VanDerWaalsContact CE2-CD1 3.49Å; F33-L61 HydrophobicContact CE2-CG 4.41Å; F33-L61 HydrophobicContact CZ-CD1 4.01Å; K38-L61 HydrophobicContact CB-CB 4.29Å; K38-L61 WeakPolarHBondContact O-CB 3.33Å; K38-L61 WeakPolarHBondContact O-CG 3.3Å; K38-L61 PolarHBondContact O-N 3.42Å; L40-L61 HydrophobicContact CB-CD2 4.03Å; L40-L61 HydrophobicContact CB-CG 4.27Å; L40-L61 HydrophobicContact CD2-CD2 4.06Å; I59-L61 HydrophobicContact CG2-CD2 4.41Å; I59-L61 PolarHBondContact O-N 2.82Å; L61-Y63 PolarHBondContact O-N 2.84Å; L61-V64 HydrophobicContact CD2-CB 4.26Å; L61-V64 HydrophobicContact CD2-CG2 3.99Å; L61-V64 PolarHBondContact O-N 2.78Å; L61-V64 VanDerWaalsContact O-N 3.16Å; L61-V67 HydrophobicContact CD2-CG2 4.14Å
62A94.3Very high93.6Very high79 Ų7976.2 Ų76.265%0.65342%0.418SS*.G310 helixtrans-62.4-21.717100000113.2N60N60-A62 PolarHBondContact O-N 2.81Å; N60-A62 VanDerWaalsContact O-N 3.11Å; N60-A62 VanDerWaalsContact OD1-CB 3.24Å; N60-A62 WeakPolarHBondContact OD1-CB 3.39Å; N60-A62 PolarHBondContact OD1-N 2.92Å
63Y95.7Very high93.3Very high156 Ų15674 Ų7461%0.61240%0.399SS*.G310 helixtrans-107.520.2177.8-57.2-63.1000112.6T20 C21 N60 L61T20-Y63 CarbonylContact C-O 3.53Å; T20-Y63 WeakPolarHBondContact CA-O 3.34Å; C21-Y63 PolarHBondContact N-O 3.49Å; N60-Y63 HydrophobicContact CB-CD2 3.96Å; N60-Y63 HydrophobicContact CB-CE2 4.44Å; N60-Y63 PolarHBondContact O-N 3.3Å; L61-Y63 PolarHBondContact O-N 2.84Å
64V95.8Very high92.7Very high22 Ų2276.7 Ų76.713%0.13342%0.416CS..EExtended strand (participates in β ladder)trans-113.5122.2178-179.90000108C18 L19 I59 L61 E66 V67C18-V64 HydrophobicContact CB-CG1 4Å; L19-V64 CarbonylContact O-C 3.51Å; L19-V64 WeakPolarHBondContact O-CA 3.29Å; L19-V64 VanDerWaalsContact O-CG1 3.3Å; L19-V64 WeakPolarHBondContact O-CG1 3.22Å; I59-V64 HydrophobicContact CG2-CG2 3.36Å; L61-V64 HydrophobicContact CD2-CB 4.26Å; L61-V64 HydrophobicContact CD2-CG2 3.99Å; L61-V64 PolarHBondContact O-N 2.78Å; L61-V64 VanDerWaalsContact O-N 3.16Å; V64-E66 WeakPolarHBondContact CG1-O 3.4Å; V64-V67 HydrophobicContact CB-CG2 4.44Å; V64-V67 HydrophobicContact CG1-CG2 3.43Å; V64-V67 VanDerWaalsContact CG1-CG2 3.43Å
65S95.6Very high92.2Very high72 Ų7281.6 Ų81.650%0.50343%0.433SS..EExtended strand (participates in β ladder)trans-79.3-36.9178.153.10000111.6L19L19-S65 PolarHBondContact O-N 3.14Å; L19-S65 PolarHBondContact O-OG 3.49Å
66E94.4Very high91.4Very high115 Ų11585.7 Ų85.754%0.53746%0.46SS..EExtended strand (participates in β ladder)trans-142.5142.4-176.5-59.5175.7-172.900111.1C18 L19 V64C18-E66 WeakPolarHBondContact CA-O 3.34Å; L19-E66 HydrophobicContact CB-CB 4.05Å; L19-E66 HydrophobicContact CD2-CG 4.47Å; L19-E66 PolarHBondContact N-O 3.5Å; L19-E66 PolarHBondContact O-N 2.96Å; V64-E66 WeakPolarHBondContact CG1-O 3.4Å
67V92.8Very high90.6Very high54 Ų5483.3 Ų83.333%0.32745%0.447SS..EExtended strand (participates in β ladder)trans-135.3124.6174.4-1730000109.8F10 S17 L61 V64F10-V67 HydrophobicContact CE1-CG1 3.48Å; F10-V67 VanDerWaalsContact CE1-CG1 3.48Å; F10-V67 HydrophobicContact CZ-CG1 3.77Å; S17-V67 WeakPolarHBondContact O-CA 3.32Å; L61-V67 HydrophobicContact CD2-CG2 4.14Å; V64-V67 HydrophobicContact CB-CG2 4.44Å; V64-V67 HydrophobicContact CG1-CG2 3.43Å; V64-V67 VanDerWaalsContact CG1-CG2 3.43Å
68D93.1Very high89.9Confident93 Ų9386.1 Ų86.150%0.49747%0.468SS..EExtended strand (participates in β ladder)trans-120.1137.2177.8-63.2-54000111.1V16 S17V16-D68 CarbonylContact C-O 3.58Å; V16-D68 WeakPolarHBondContact CA-O 3.3Å; V16-D68 WeakPolarHBondContact CB-O 3.34Å; S17-D68 PolarHBondContact N-O 3.1Å; S17-D68 PolarHBondContact O-N 2.91Å
69I92.2Very high89.2Confident88 Ų8886.8 Ų86.845%0.45148%0.479SS..EExtended strand (participates in β ladder)trans-85.6111.5168.2-58.9171.4000107.4V16V16-I69 HydrophobicContact CG1-CG1 4.18Å
70I93.1Very high88.6Confident86 Ų8694.3 Ų94.344%0.44152%0.519SS..EExtended strand (participates in β ladder)trans-83.1-40.7-178.5-57.9166.9000110.4H15 Q27H15-I70 PolarHBondContact O-N 3.36Å; Q27-I70 HydrophobicContact CG-CD1 3.62Å; Q27-I70 VanDerWaalsContact NE2-CD1 3.3Å
71N90.1Very high88.1Confident90 Ų9096.1 Ų96.148%0.48154%0.541SS..EExtended strand (participates in β ladder)trans-146.9119178.1-177.552.3000109.4S14 H15S14-N71 CarbonylContact C-O 3.52Å; S14-N71 WeakPolarHBondContact CA-O 3.39Å; S14-N71 WeakPolarHBondContact CB-O 3.29Å; H15-N71 HydrophobicContact CB-CB 4.19Å; H15-N71 PolarHBondContact N-O 2.78Å; H15-N71 PolarHBondContact O-N 3.21Å
72D86.9Confident87.9Confident93 Ų93100.2 Ų100.250%0.49757%0.573SS.*  trans-69.1149.5171.2-98.3-46.4000110.8T74D72-T74 PolarHBondContact O-N 3.39Å
73R82.6Confident87.7Confident96 Ų96102.8 Ų102.836%0.36258%0.575SS.*  trans-63.3133.6172.876.7-174.5-178.9-177.4-3.9110.1V12 S14V12-R73 WeakPolarHBondContact O-CD 3.48Å; V12-R73 PolarHBondContact O-NH1 3.26Å; S14-R73 PolarHBondContact OG-N 3.46Å
74T79.9Confident87.7Confident114 Ų11499.2 Ų99.270%0.69957%0.566SS**  trans-96.5-26.6173.852.20000112.2D72D72-T74 PolarHBondContact O-N 3.39Å
75E81.5Confident87.7Confident156 Ų156103.3 Ų103.373%0.72959%0.591SS**SBendtrans-124159.6-174.5-65.2-176.5-178.100111.7P77E75-P77 WeakPolarHBondContact O-CD 3.46Å
76T79.8Confident87.7Confident132 Ų132103.8 Ų103.881%0.8159%0.594SS**PPolyproline II helixtrans-74.3126173.8-56.90000108.6
77P77.5Confident87.8Confident41 Ų41105.4 Ų105.427%0.26660%0.599SS.*PPolyproline II helixtrans-56.2149.8177.1-24.733.3000111.9V12 E75V12-P77 HydrophobicContact CG1-CG 4.18Å; V12-P77 WeakPolarHBondContact O-CG 3.49Å; E75-P77 WeakPolarHBondContact O-CD 3.46Å
78P81Confident87.9Confident112 Ų112106 Ų10673%0.72760%0.6SS**PPolyproline II helixtrans-58.4147.3175.325.2-33.5000110.5
79P82.9Confident88.1Confident127 Ų127103.7 Ų103.783%0.82559%0.594SS**PPolyproline II helixtrans-59.8143.5176.426.2-33.8000110.1
80L81.3Confident88.3Confident168 Ų168103.6 Ų103.688%0.8860%0.595SS**PPolyproline II helixtrans-61.3142.8176.4-63.7176.3000110.4S82L80-S82 PolarHBondContact O-N 3.45Å
81A85.3Confident88.4Confident90 Ų90107 Ų10774%0.74460%0.602SS**PPolyproline II helixtrans-59.9137.3173.300000110.1L83A81-L83 PolarHBondContact O-N 2.91Å
82S89.6Confident88.7Confident121 Ų121105.7 Ų105.785%0.84660%0.603SS**PPolyproline II helixtrans-66.7133.9176.758.40000110.6L80L80-S82 PolarHBondContact O-N 3.45Å
83L91.4Very high89.2Confident133 Ų133107.4 Ų107.470%0.69660%0.603SS**PPolyproline II helixtrans-87.1136.6176.2-64.6179000110.2A81 V85 L88A81-L83 PolarHBondContact O-N 2.91Å; L83-V85 PolarHBondContact O-N 2.97Å; L83-V85 VanDerWaalsContact O-N 3.15Å; L83-L88 HydrophobicContact CB-CD1 4.13Å; L83-L88 HydrophobicContact CD1-CD1 4.29Å
84N94.8Very high89.7Confident81 Ų81105 Ų10543%0.43360%0.601SS.*  trans-83.190.2169.2-171.1-46.1000109.6S86 K87 L88N84-S86 PolarHBondContact O-N 3.48Å; N84-S86 PolarHBondContact OD1-N 3.17Å; N84-K87 HydrophobicContact CB-CB 4.1Å; N84-K87 HydrophobicContact CB-CD 4.06Å; N84-K87 HydrophobicContact CB-CG 4.19Å; N84-K87 PolarHBondContact O-N 3.21Å; N84-K87 VanDerWaalsContact O-N 3.16Å; N84-K87 WeakPolarHBondContact OD1-CG 3.04Å; N84-K87 PolarHBondContact OD1-N 3.41Å; N84-L88 WeakPolarHBondContact O-CG 3.28Å; N84-L88 PolarHBondContact O-N 3.1Å; N84-L88 VanDerWaalsContact O-N 3.09Å
85V95.9Very high90.4Very high107 Ų107104.6 Ų104.665%0.64859%0.591SS**Hα-helixtrans-57.9-37.5-176.4-173.80000111.8L83 L88 A89L83-V85 PolarHBondContact O-N 2.97Å; L83-V85 VanDerWaalsContact O-N 3.15Å; V85-L88 PolarHBondContact O-N 3.29Å; V85-A89 WeakPolarHBondContact O-CB 3.31Å; V85-A89 PolarHBondContact O-N 3.43Å
86S96.1Very high91.2Very high83 Ų83104 Ų10458%0.5859%0.586SS**Hα-helixtrans-64-43.2178-50.90000112.3N84 L88 A89 N90N84-S86 PolarHBondContact O-N 3.48Å; N84-S86 PolarHBondContact OD1-N 3.17Å; S86-L88 VanDerWaalsContact C-N 3.34Å; S86-A89 PolarHBondContact O-N 3.29Å; S86-N90 WeakPolarHBondContact O-CB 3.39Å; S86-N90 VanDerWaalsContact O-CG 3.24Å; S86-N90 PolarHBondContact O-N 3.48Å; S86-N90 PolarHBondContact O-ND2 3.12Å
87K95.7Very high91.9Very high148 Ų148103.1 Ų103.164%0.64357%0.573SS**Hα-helixtrans-63-41.2174.2-75.2-177.5-177.8-176.70111.4N84 N90 R91N84-K87 HydrophobicContact CB-CB 4.1Å; N84-K87 HydrophobicContact CB-CD 4.06Å; N84-K87 HydrophobicContact CB-CG 4.19Å; N84-K87 PolarHBondContact O-N 3.21Å; N84-K87 VanDerWaalsContact O-N 3.16Å; N84-K87 WeakPolarHBondContact OD1-CG 3.04Å; N84-K87 PolarHBondContact OD1-N 3.41Å; K87-N90 PolarHBondContact O-N 3.4Å; K87-R91 PolarHBondContact O-N 3.4Å
88L96.1Very high92.7Very high66 Ų66102.8 Ų102.835%0.34657%0.569SS.*Hα-helixtrans-64.1-44.7177.5-67.6173.2000111.8L83 N84 V85 S86 R91 A92L83-L88 HydrophobicContact CB-CD1 4.13Å; L83-L88 HydrophobicContact CD1-CD1 4.29Å; N84-L88 WeakPolarHBondContact O-CG 3.28Å; N84-L88 PolarHBondContact O-N 3.1Å; N84-L88 VanDerWaalsContact O-N 3.09Å; V85-L88 PolarHBondContact O-N 3.29Å; S86-L88 VanDerWaalsContact C-N 3.34Å; L88-R91 PolarHBondContact O-N 3.2Å; L88-A92 PolarHBondContact O-N 3.48Å
89A96.6Very high93.4Very high45 Ų45103.4 Ų103.437%0.37256%0.56SS.*Hα-helixtrans-63.1-41.6177.300000112V85 S86 A92 R93V85-A89 WeakPolarHBondContact O-CB 3.31Å; V85-A89 PolarHBondContact O-N 3.43Å; S86-A89 PolarHBondContact O-N 3.29Å; A89-A92 PolarHBondContact O-N 3.34Å; A89-R93 WeakPolarHBondContact O-CB 3.13Å; A89-R93 PolarHBondContact O-N 3.02Å
90N96Very high94.1Very high87 Ų87102.3 Ų102.347%0.46555%0.547SS..Hα-helixtrans-64.5-42175.9-71.9-14.8000111.9S86 K87 R93 S94S86-N90 WeakPolarHBondContact O-CB 3.39Å; S86-N90 VanDerWaalsContact O-CG 3.24Å; S86-N90 PolarHBondContact O-N 3.48Å; S86-N90 PolarHBondContact O-ND2 3.12Å; K87-N90 PolarHBondContact O-N 3.4Å; N90-R93 PolarHBondContact O-N 3.01Å; N90-R93 PolarHBondContact OD1-NH1 2.76Å; N90-S94 WeakPolarHBondContact O-CB 3.27Å; N90-S94 PolarHBondContact O-N 3.43Å
91R95.6Very high94.7Very high158 Ų15895.5 Ų95.560%0.59651%0.513SS*.Hα-helixtrans-60-48173.6-173.9179.666.9178.92.4111.1K87 L88 R93 S94 E95K87-R91 PolarHBondContact O-N 3.4Å; L88-R91 PolarHBondContact O-N 3.2Å; R91-R93 VanDerWaalsContact C-N 3.31Å; R91-R93 PolarHBondContact O-N 2.92Å; R91-S94 PolarHBondContact O-N 3.45Å; R91-E95 HydrophobicContact CG-CG 4.44Å; R91-E95 WeakPolarHBondContact O-CG 3.42Å; R91-E95 PolarHBondContact O-N 3.43Å
92A96.8Very high95.3Very high61 Ų6194.4 Ų94.450%0.50449%0.493SS..Hα-helixtrans-60.4-40.1178.700000112.5L88 A89 K96L88-A92 PolarHBondContact O-N 3.48Å; A89-A92 PolarHBondContact O-N 3.34Å; A92-K96 WeakPolarHBondContact O-CB 3.36Å; A92-K96 PolarHBondContact O-N 3.09Å; A92-K96 VanDerWaalsContact O-N 3.09Å
93R96.3Very high95.6Very high129 Ų12991.2 Ų91.249%0.48747%0.474SS..Hα-helixtrans-64.6-47.7175.8-167.8-175.2-56.3108.23.3111.7A89 N90 R91 E95 K96 E97A89-R93 WeakPolarHBondContact O-CB 3.13Å; A89-R93 PolarHBondContact O-N 3.02Å; N90-R93 PolarHBondContact O-N 3.01Å; N90-R93 PolarHBondContact OD1-NH1 2.76Å; R91-R93 VanDerWaalsContact C-N 3.31Å; R91-R93 PolarHBondContact O-N 2.92Å; R93-E95 PolarHBondContact O-N 2.93Å; R93-K96 WeakPolarHBondContact O-CB 3.45Å; R93-K96 PolarHBondContact O-N 2.63Å; R93-E97 WeakPolarHBondContact O-CG 3.46Å; R93-E97 PolarHBondContact O-N 2.93Å
94S93.6Very high95.9Very high47 Ų4789.3 Ų89.333%0.32946%0.458SS..Hα-helixtrans-59.9-45.9178.5-171.40000111.8N90 R91 K96 E97 D98N90-S94 WeakPolarHBondContact O-CB 3.27Å; N90-S94 PolarHBondContact O-N 3.43Å; R91-S94 PolarHBondContact O-N 3.45Å; S94-K96 VanDerWaalsContact C-N 3.3Å; S94-K96 PolarHBondContact O-N 3.22Å; S94-E97 PolarHBondContact O-N 3.29Å; S94-D98 WeakPolarHBondContact O-CB 3.42Å; S94-D98 VanDerWaalsContact O-CG 3.24Å; S94-D98 PolarHBondContact O-N 3.34Å
95E95.4Very high96Very high105 Ų10585.5 Ų85.549%0.49144%0.438SS..Hα-helixtrans-62.9-38.5177.9-69.7-63.8152.700111.8R91 R93 D98 K99R91-E95 HydrophobicContact CG-CG 4.44Å; R91-E95 WeakPolarHBondContact O-CG 3.42Å; R91-E95 PolarHBondContact O-N 3.43Å; R93-E95 PolarHBondContact O-N 2.93Å; E95-D98 PolarHBondContact O-N 2.99Å; E95-K99 WeakPolarHBondContact O-CB 3.48Å; E95-K99 VanDerWaalsContact O-CG 3.31Å; E95-K99 WeakPolarHBondContact O-CG 3.42Å; E95-K99 PolarHBondContact O-N 3.44Å
96K97Very high96.1Very high143 Ų14385.6 Ų85.662%0.62243%0.434SS*.Hα-helixtrans-62.9-48174.9-179.1-175.9175.5-1760111.3A92 R93 S94 D98 K99 L100A92-K96 WeakPolarHBondContact O-CB 3.36Å; A92-K96 PolarHBondContact O-N 3.09Å; A92-K96 VanDerWaalsContact O-N 3.09Å; R93-K96 WeakPolarHBondContact O-CB 3.45Å; R93-K96 PolarHBondContact O-N 2.63Å; S94-K96 VanDerWaalsContact C-N 3.3Å; S94-K96 PolarHBondContact O-N 3.22Å; K96-D98 VanDerWaalsContact C-N 3.35Å; K96-K99 PolarHBondContact O-N 3.5Å; K96-L100 HydrophobicContact CG-CD1 4.05Å; K96-L100 WeakPolarHBondContact O-CB 3.37Å; K96-L100 VanDerWaalsContact O-CG 3.3Å; K96-L100 WeakPolarHBondContact O-CG 3.35Å; K96-L100 PolarHBondContact O-N 2.86Å
97E95.1Very high96.1Very high114 Ų11486.2 Ų86.253%0.53344%0.438SS..Hα-helixtrans-61.5-43178.3-75170.9-173.100111.4R93 S94 K99 L100 S101R93-E97 WeakPolarHBondContact O-CG 3.46Å; R93-E97 PolarHBondContact O-N 2.93Å; S94-E97 PolarHBondContact O-N 3.29Å; E97-K99 PolarHBondContact O-N 2.89Å; E97-L100 PolarHBondContact O-N 2.85Å; E97-S101 WeakPolarHBondContact O-CB 3.37Å; E97-S101 PolarHBondContact O-N 3.06Å
98D94.1Very high96.2Very high33 Ų3380.5 Ų80.518%0.17642%0.418CS..Hα-helixtrans-61.6-42.2176.8-72.8-5.5000111.9S94 E95 K96 S101 Q102 H122S94-D98 WeakPolarHBondContact O-CB 3.42Å; S94-D98 VanDerWaalsContact O-CG 3.24Å; S94-D98 PolarHBondContact O-N 3.34Å; E95-D98 PolarHBondContact O-N 2.99Å; K96-D98 VanDerWaalsContact C-N 3.35Å; D98-S101 PolarHBondContact O-N 3.12Å; D98-Q102 WeakPolarHBondContact O-CG 3.29Å; D98-Q102 PolarHBondContact O-N 2.86Å; D98-H122 IonicContact OD1-CD2 3.55Å; D98-H122 IonicContact OD1-CE1 3.74Å; D98-H122 IonicContact OD1-NE2 2.73Å; D98-H122 PolarHBondContact OD1-NE2 3.48Å; D98-H122 IonicContact OD2-NE2 3.79Å
99K95.9Very high96.2Very high125 Ų12579.7 Ų79.754%0.54343%0.426SS..Hα-helixtrans-68.4-40.2176.1-72.4-59.5-174.5-174.70112.9E95 K96 E97 S101 Q102 A103E95-K99 WeakPolarHBondContact O-CB 3.48Å; E95-K99 VanDerWaalsContact O-CG 3.31Å; E95-K99 WeakPolarHBondContact O-CG 3.42Å; E95-K99 PolarHBondContact O-N 3.44Å; K96-K99 PolarHBondContact O-N 3.5Å; E97-K99 PolarHBondContact O-N 2.89Å; K99-S101 VanDerWaalsContact C-N 3.33Å; K99-Q102 PolarHBondContact O-N 3.27Å; K99-A103 WeakPolarHBondContact O-CB 3.5Å; K99-A103 PolarHBondContact O-N 2.94Å
100L96.9Very high96.3Very high104 Ų10478 Ų7855%0.54541%0.411SS..Hα-helixtrans-63.5-41.4175.1-73.5172.1000111.2K96 E97 A103 Y104K96-L100 HydrophobicContact CG-CD1 4.05Å; K96-L100 WeakPolarHBondContact O-CB 3.37Å; K96-L100 VanDerWaalsContact O-CG 3.3Å; K96-L100 WeakPolarHBondContact O-CG 3.35Å; K96-L100 PolarHBondContact O-N 2.86Å; E97-L100 PolarHBondContact O-N 2.85Å; L100-A103 PolarHBondContact O-N 3.08Å; L100-Y104 WeakPolarHBondContact O-CB 3.45Å; L100-Y104 PolarHBondContact O-N 3.24Å
101S95.8Very high96.4Very high26 Ų2676.1 Ų76.118%0.18241%0.405CS..Hα-helixtrans-61.1-43.1174.81790000112.2E97 D98 K99 Y104 A105 F118 W130E97-S101 WeakPolarHBondContact O-CB 3.37Å; E97-S101 PolarHBondContact O-N 3.06Å; D98-S101 PolarHBondContact O-N 3.12Å; K99-S101 VanDerWaalsContact C-N 3.33Å; S101-Y104 PolarHBondContact O-N 2.8Å; S101-A105 PolarHBondContact O-N 3.04Å; S101-F118 WeakPolarHBondContact OG-CE1 3.46Å; S101-W130 PolarHBondContact O-NE1 3.38Å; S101-W130 PolarHBondContact OG-NE1 3.35Å; S101-W130 VanDerWaalsContact OG-NE1 3.14Å
102Q96.2Very high96.4Very high67 Ų6772.6 Ų72.631%0.31340%0.4SS..Hα-helixtrans-62.6-46.5174.6-73.3168.535.500112.1D98 K99 Y104 A105 I106D98-Q102 WeakPolarHBondContact O-CG 3.29Å; D98-Q102 PolarHBondContact O-N 2.86Å; K99-Q102 PolarHBondContact O-N 3.27Å; Q102-Y104 VanDerWaalsContact C-N 3.32Å; Q102-Y104 PolarHBondContact O-N 3.25Å; Q102-A105 PolarHBondContact O-N 3.09Å; Q102-I106 WeakPolarHBondContact O-CG1 3.43Å; Q102-I106 PolarHBondContact O-N 3.37Å; Q102-I106 VanDerWaalsContact O-N 3.15Å
103A97.4Very high96.4Very high54 Ų5474.5 Ų74.545%0.44640%0.399SS..Hα-helixtrans-62-41.1178.300000111.8K99 L100 I106 S107K99-A103 WeakPolarHBondContact O-CB 3.5Å; K99-A103 PolarHBondContact O-N 2.94Å; L100-A103 PolarHBondContact O-N 3.08Å; A103-I106 PolarHBondContact O-N 3.12Å; A103-S107 PolarHBondContact O-N 3.42Å; A103-S107 PolarHBondContact O-OG 3.15Å
104Y97.6Very high96.4Very high92 Ų9268.4 Ų68.436%0.36138%0.376SS..Hα-helixtrans-56.7-51.1173.9170.5-85.9000111.1L100 S101 Q102 I106 S107 A108 W130 E132L100-Y104 WeakPolarHBondContact O-CB 3.45Å; L100-Y104 PolarHBondContact O-N 3.24Å; S101-Y104 PolarHBondContact O-N 2.8Å; Q102-Y104 VanDerWaalsContact C-N 3.32Å; Q102-Y104 PolarHBondContact O-N 3.25Å; Y104-I106 VanDerWaalsContact C-N 3.29Å; Y104-I106 PolarHBondContact O-N 3.4Å; Y104-S107 WeakPolarHBondContact CA-OG 3.24Å; Y104-S107 PolarHBondContact O-N 3.17Å; Y104-S107 PolarHBondContact O-OG 3.4Å; Y104-A108 HydrophobicContact CE1-CB 4.13Å; Y104-A108 WeakPolarHBondContact O-CB 3.49Å; Y104-A108 PolarHBondContact O-N 3.44Å; Y104-W130 HydrophobicContact CD1-CB 3.64Å; Y104-W130 AromaticContact CD1-CD1 3.77Å; Y104-W130 AromaticContact CD1-CG 3.73Å; Y104-W130 HydrophobicContact CD1-CG 3.73Å; Y104-W130 HydrophobicContact CE1-CB 3.33Å; Y104-W130 AromaticContact CE1-CG 3.84Å; Y104-W130 HydrophobicContact CE1-CG 3.84Å; Y104-E132 VanDerWaalsContact CE1-O 3.29Å; Y104-E132 WeakPolarHBondContact CE1-O 3.42Å; Y104-E132 WeakPolarHBondContact OH-CA 3.34Å; Y104-E132 PolarHBondContact OH-N 2.98Å; Y104-E132 PolarHBondContact OH-O 3.16Å
105A97Very high96.7Very high1 Ų168.1 Ų68.11%0.00837%0.37CS..Hα-helixtrans-59.3-40.8-177.900000112.4S101 Q102 A108 G109 V110 Q115 W130S101-A105 PolarHBondContact O-N 3.04Å; Q102-A105 PolarHBondContact O-N 3.09Å; A105-A108 PolarHBondContact O-N 2.97Å; A105-G109 PolarHBondContact O-N 3.09Å; A105-V110 HydrophobicContact CB-CB 4.21Å; A105-V110 HydrophobicContact CB-CG2 4.28Å; A105-V110 WeakPolarHBondContact O-CB 3.42Å; A105-V110 WeakPolarHBondContact O-CG2 3.43Å; A105-V110 PolarHBondContact O-N 3.18Å; A105-Q115 HydrophobicContact CB-CG 4.06Å; A105-W130 HydrophobicContact CB-CD2 4.33Å; A105-W130 HydrophobicContact CB-CH2 4.38Å; A105-W130 HydrophobicContact CB-CZ2 3.66Å
106I96.9Very high96.7Very high110 Ų11067 Ų6756%0.56436%0.364SS*.Hα-helixtrans-61.9-50174.6-65.2166.2000110Q102 A103 Y104 A108 G109Q102-I106 WeakPolarHBondContact O-CG1 3.43Å; Q102-I106 PolarHBondContact O-N 3.37Å; Q102-I106 VanDerWaalsContact O-N 3.15Å; A103-I106 PolarHBondContact O-N 3.12Å; Y104-I106 VanDerWaalsContact C-N 3.29Å; Y104-I106 PolarHBondContact O-N 3.4Å; I106-A108 VanDerWaalsContact C-N 3.28Å; I106-A108 PolarHBondContact O-N 2.8Å; I106-G109 PolarHBondContact O-N 2.95Å
107S96.9Very high96.8Very high95 Ų9560.2 Ų60.266%0.66434%0.335SS*.Hα-helixtrans-63.7-32.9-178.972.30000113.3A103 Y104 G109A103-S107 PolarHBondContact O-N 3.42Å; A103-S107 PolarHBondContact O-OG 3.15Å; Y104-S107 WeakPolarHBondContact CA-OG 3.24Å; Y104-S107 PolarHBondContact O-N 3.17Å; Y104-S107 PolarHBondContact O-OG 3.4Å; S107-G109 PolarHBondContact O-N 3.39Å
108A97.1Very high96.9Very high29 Ų2955.3 Ų55.324%0.2431%0.312CS..THydrogen-bonded Turntrans-75.7-7.8176.500000112.8Y104 A105 I106 V110 K133Y104-A108 HydrophobicContact CE1-CB 4.13Å; Y104-A108 WeakPolarHBondContact O-CB 3.49Å; Y104-A108 PolarHBondContact O-N 3.44Å; A105-A108 PolarHBondContact O-N 2.97Å; I106-A108 VanDerWaalsContact C-N 3.28Å; I106-A108 PolarHBondContact O-N 2.8Å; A108-V110 HydrophobicContact CB-CG2 4.29Å; A108-K133 WeakPolarHBondContact O-CE 3.37Å
109G97.1Very high97.1Very high49 Ų4957.3 Ų57.351%0.50532%0.32SS..THydrogen-bonded Turntrans70.837.2-177.800000113.1A105 I106 S107A105-G109 PolarHBondContact O-N 3.09Å; I106-G109 PolarHBondContact O-N 2.95Å; S107-G109 PolarHBondContact O-N 3.39Å
110V98.1Very high97.1Very high8 Ų853.4 Ų53.45%0.04831%0.307CS..  trans-72.6138.5171.6175.20000109.5A105 A108 Q115 W130 K133 Y147A105-V110 HydrophobicContact CB-CB 4.21Å; A105-V110 HydrophobicContact CB-CG2 4.28Å; A105-V110 WeakPolarHBondContact O-CB 3.42Å; A105-V110 WeakPolarHBondContact O-CG2 3.43Å; A105-V110 PolarHBondContact O-N 3.18Å; A108-V110 HydrophobicContact CB-CG2 4.29Å; V110-Q115 HydrophobicContact CB-CG 4.32Å; V110-Q115 HydrophobicContact CG1-CG 3.97Å; V110-Q115 PolarHBondContact O-NE2 2.99Å; V110-W130 HydrophobicContact CG1-CH2 3.73Å; V110-W130 HydrophobicContact CG1-CZ3 3.89Å; V110-W130 HydrophobicContact CG2-CE3 4.4Å; V110-W130 HydrophobicContact CG2-CZ3 4.14Å; V110-K133 HydrophobicContact CG2-CB 4.25Å; V110-K133 HydrophobicContact CG2-CG 4.17Å; V110-Y147 HydrophobicContact CG1-CE2 4.36Å; V110-Y147 WeakPolarHBondContact CG1-OH 3.33Å
111S97.6Very high97.2Very high49 Ų4948.5 Ų48.534%0.34328%0.281SS..  trans-65.1157.7179.385.80000112.1E113 G114 Q115S111-E113 WeakPolarHBondContact CB-OE2 3.27Å; S111-E113 PolarHBondContact O-N 2.87Å; S111-E113 PolarHBondContact OG-OE2 3.39Å; S111-G114 PolarHBondContact O-N 3.37Å; S111-G114 VanDerWaalsContact O-N 3.13Å; S111-G114 PolarHBondContact OG-N 3.05Å; S111-Q115 WeakPolarHBondContact O-CG 3.34Å; S111-Q115 PolarHBondContact O-N 3.23Å
112V96.4Very high97.2Very high83 Ų8348.7 Ų48.750%0.50328%0.279SS..Hα-helixtrans-59.7-37.5179.1176.80000110.7Q115 Q116V112-Q115 PolarHBondContact O-N 3.22Å; V112-Q116 HydrophobicContact CG1-CG 4.37Å; V112-Q116 WeakPolarHBondContact O-CB 3.49Å; V112-Q116 VanDerWaalsContact O-CG 3.26Å; V112-Q116 WeakPolarHBondContact O-CG 3.03Å; V112-Q116 PolarHBondContact O-N 2.89Å
113E96Very high97.1Very high102 Ų10253.2 Ų53.248%0.47730%0.298SS..Hα-helixtrans-62.3-45.4176.1-56.374.3-16100111.2S111 Q115 Q116 L117S111-E113 WeakPolarHBondContact CB-OE2 3.27Å; S111-E113 PolarHBondContact O-N 2.87Å; S111-E113 PolarHBondContact OG-OE2 3.39Å; E113-Q115 PolarHBondContact O-N 2.86Å; E113-Q116 PolarHBondContact O-N 2.98Å; E113-L117 WeakPolarHBondContact O-CB 3.19Å; E113-L117 PolarHBondContact O-N 3.08Å
114G97.6Very high97Very high0 Ų054.6 Ų54.60%030%0.301CS..Hα-helixtrans-61.6-43175.600000112.3S111 Q116 L117 F118 Y147S111-G114 PolarHBondContact O-N 3.37Å; S111-G114 VanDerWaalsContact O-N 3.13Å; S111-G114 PolarHBondContact OG-N 3.05Å; G114-Q116 PolarHBondContact O-N 3.41Å; G114-L117 PolarHBondContact O-N 3.33Å; G114-F118 PolarHBondContact O-N 3.28Å; G114-Y147 VanDerWaalsContact CA-CD2 3.47Å
115Q98Very high96.9Very high42 Ų4251.2 Ų51.220%0.19629%0.289CS..Hα-helixtrans-61.8-43.1176.2-65.917439.400111.8A105 V110 S111 V112 E113 F118 Q119A105-Q115 HydrophobicContact CB-CG 4.06Å; V110-Q115 HydrophobicContact CB-CG 4.32Å; V110-Q115 HydrophobicContact CG1-CG 3.97Å; V110-Q115 PolarHBondContact O-NE2 2.99Å; S111-Q115 WeakPolarHBondContact O-CG 3.34Å; S111-Q115 PolarHBondContact O-N 3.23Å; V112-Q115 PolarHBondContact O-N 3.22Å; E113-Q115 PolarHBondContact O-N 2.86Å; Q115-F118 PolarHBondContact O-N 3.48Å; Q115-Q119 WeakPolarHBondContact O-CG 3.47Å; Q115-Q119 PolarHBondContact O-N 3.26Å; Q115-Q119 VanDerWaalsContact O-N 3.14Å
116Q97.2Very high96.7Very high81 Ų8157.5 Ų57.538%0.37932%0.316SS..Hα-helixtrans-65.7-43.3177.4-73175-4.200111.7V112 E113 G114 F118 Q119 T120V112-Q116 HydrophobicContact CG1-CG 4.37Å; V112-Q116 WeakPolarHBondContact O-CB 3.49Å; V112-Q116 VanDerWaalsContact O-CG 3.26Å; V112-Q116 WeakPolarHBondContact O-CG 3.03Å; V112-Q116 PolarHBondContact O-N 2.89Å; E113-Q116 PolarHBondContact O-N 2.98Å; G114-Q116 PolarHBondContact O-N 3.41Å; Q116-F118 PolarHBondContact O-N 2.94Å; Q116-Q119 PolarHBondContact O-N 2.96Å; Q116-T120 PolarHBondContact O-N 3.43Å; Q116-T120 PolarHBondContact O-OG1 3.22Å
117L98.2Very high96.6Very high0 Ų056.4 Ų56.40%031%0.311CS..Hα-helixtrans-61.8-45176.9179.464.2000111.3E113 G114 Q119 T120 I121 I135 I143 V167 H170E113-L117 WeakPolarHBondContact O-CB 3.19Å; E113-L117 PolarHBondContact O-N 3.08Å; G114-L117 PolarHBondContact O-N 3.33Å; L117-Q119 VanDerWaalsContact C-N 3.29Å; L117-Q119 PolarHBondContact O-N 3.09Å; L117-T120 WeakPolarHBondContact O-CB 3.43Å; L117-T120 PolarHBondContact O-N 3.48Å; L117-T120 VanDerWaalsContact O-N 3.1Å; L117-I121 HydrophobicContact CD1-CD1 4.14Å; L117-I121 HydrophobicContact CD1-CG1 4.33Å; L117-I121 HydrophobicContact CD2-CD1 4.4Å; L117-I121 HydrophobicContact CG-CD1 3.87Å; L117-I121 HydrophobicContact CG-CG1 4.46Å; L117-I121 WeakPolarHBondContact O-CG1 3.44Å; L117-I121 PolarHBondContact O-N 2.95Å; L117-I135 HydrophobicContact CB-CD1 4.36Å; L117-I135 HydrophobicContact CD2-CD1 4.07Å; L117-I135 HydrophobicContact CG-CD1 4.14Å; L117-I143 HydrophobicContact CD2-CD1 4.45Å; L117-I143 HydrophobicContact CD2-CG2 4.29Å; L117-V167 HydrophobicContact CD1-CB 4.36Å; L117-V167 HydrophobicContact CD1-CG1 4.32Å; L117-V167 HydrophobicContact CD1-CG2 4.06Å; L117-V167 HydrophobicContact CD2-CG1 4.27Å; L117-V167 HydrophobicContact CD2-CG2 4.19Å; L117-H170 HydrophobicContact CD1-CB 3.77Å
118F98.1Very high96.5Very high11 Ų1152.4 Ų52.45%0.04828%0.283CS..Hα-helixtrans-55.8-45.2175.3-179.1-88.1000111.5S101 G114 Q115 Q116 T120 I121 H122 C128 W130 I135S101-F118 WeakPolarHBondContact OG-CE1 3.46Å; G114-F118 PolarHBondContact O-N 3.28Å; Q115-F118 PolarHBondContact O-N 3.48Å; Q116-F118 PolarHBondContact O-N 2.94Å; F118-T120 VanDerWaalsContact C-N 3.32Å; F118-T120 PolarHBondContact O-N 2.84Å; F118-I121 PolarHBondContact O-N 3.18Å; F118-H122 HydrophobicContact CD1-CB 4.43Å; F118-H122 HydrophobicContact CE1-CB 4.13Å; F118-H122 VanDerWaalsContact O-CB 3.28Å; F118-H122 WeakPolarHBondContact O-CB 3.33Å; F118-H122 PolarHBondContact O-N 2.83Å; F118-C128 HydrophobicContact CE2-CB 4.42Å; F118-W130 HydrophobicContact CB-CH2 3.51Å; F118-W130 HydrophobicContact CB-CZ2 3.28Å; F118-W130 HydrophobicContact CB-CZ3 4.5Å; F118-W130 AromaticContact CD1-CZ2 3.93Å; F118-W130 HydrophobicContact CD1-CZ2 3.93Å; F118-W130 AromaticContact CD1-NE1 3.94Å; F118-W130 HydrophobicContact CD2-CD2 4.01Å; F118-W130 AromaticContact CD2-CE2 3.57Å; F118-W130 HydrophobicContact CD2-CE3 4.43Å; F118-W130 HydrophobicContact CD2-CH2 4.08Å; F118-W130 AromaticContact CD2-CZ2 3.63Å; F118-W130 HydrophobicContact CD2-CZ2 3.63Å; F118-W130 HydrophobicContact CD2-CZ3 4.46Å; F118-W130 AromaticContact CD2-NE1 3.92Å; F118-W130 AromaticContact CE1-NE1 3.94Å; F118-W130 HydrophobicContact CE2-CD2 4.28Å; F118-W130 HydrophobicContact CE2-CG 4.4Å; F118-W130 HydrophobicContact CE2-CZ2 4.49Å; F118-W130 AromaticContact CE2-NE1 3.93Å; F118-W130 HydrophobicContact CG-CD2 4.5Å; F118-W130 AromaticContact CG-CE2 3.62Å; F118-W130 AromaticContact CG-CH2 3.94Å; F118-W130 HydrophobicContact CG-CH2 3.94Å; F118-W130 AromaticContact CG-CZ2 3.31Å; F118-W130 HydrophobicContact CG-CZ2 3.31Å; F118-W130 AromaticContact CG-NE1 3.95Å; F118-W130 AromaticContact CZ-NE1 3.95Å; F118-I135 HydrophobicContact CB-CD1 3.93Å; F118-I135 HydrophobicContact CB-CG1 4.31Å; F118-I135 HydrophobicContact CD2-CB 4.45Å; F118-I135 HydrophobicContact CD2-CD1 4.49Å; F118-I135 HydrophobicContact CD2-CG1 4.08Å; F118-I135 HydrophobicContact CD2-CG2 3.79Å; F118-I135 HydrophobicContact CE2-CG2 4.33Å
119Q96.8Very high96.5Very high76 Ų7655.5 Ų55.536%0.35529%0.291SS..Hα-helixtrans-62.2-38.6177.2-69.3175.520.100112.5Q115 Q116 L117 K123Q115-Q119 WeakPolarHBondContact O-CG 3.47Å; Q115-Q119 PolarHBondContact O-N 3.26Å; Q115-Q119 VanDerWaalsContact O-N 3.14Å; Q116-Q119 PolarHBondContact O-N 2.96Å; L117-Q119 VanDerWaalsContact C-N 3.29Å; L117-Q119 PolarHBondContact O-N 3.09Å; Q119-K123 VanDerWaalsContact O-CG 3.27Å; Q119-K123 WeakPolarHBondContact O-CG 3.41Å; Q119-K123 PolarHBondContact O-N 2.73Å; Q119-K123 VanDerWaalsContact O-N 3.12Å
120T97.3Very high96.5Very high43 Ų4354.5 Ų54.526%0.26427%0.272SS..Hα-helixtrans-65.1-43.7175.3-67.80000111.6Q116 L117 F118 T124 I166 H170Q116-T120 PolarHBondContact O-N 3.43Å; Q116-T120 PolarHBondContact O-OG1 3.22Å; L117-T120 WeakPolarHBondContact O-CB 3.43Å; L117-T120 PolarHBondContact O-N 3.48Å; L117-T120 VanDerWaalsContact O-N 3.1Å; F118-T120 VanDerWaalsContact C-N 3.32Å; F118-T120 PolarHBondContact O-N 2.84Å; T120-T124 PolarHBondContact O-N 3.43Å; T120-T124 PolarHBondContact O-OG1 3.49Å; T120-T124 VanDerWaalsContact O-OG1 3.09Å; T120-I166 HydrophobicContact CG2-CG2 4.14Å; T120-H170 HydrophobicContact CG2-CB 4.1Å; T120-H170 PolarHBondContact OG1-ND1 3.02Å
121I97.3Very high96.4Very high1 Ų158.4 Ų58.41%0.00529%0.29CS..Hα-helixtrans-63.6-49.8176.3-65.9167.9000109.7L117 F118 K123 T124 I125 C128 I135 V137 I143 I166L117-I121 HydrophobicContact CD1-CD1 4.14Å; L117-I121 HydrophobicContact CD1-CG1 4.33Å; L117-I121 HydrophobicContact CD2-CD1 4.4Å; L117-I121 HydrophobicContact CG-CD1 3.87Å; L117-I121 HydrophobicContact CG-CG1 4.46Å; L117-I121 WeakPolarHBondContact O-CG1 3.44Å; L117-I121 PolarHBondContact O-N 2.95Å; F118-I121 PolarHBondContact O-N 3.18Å; I121-K123 PolarHBondContact O-N 3Å; I121-T124 CarbonylContact O-C 3.56Å; I121-T124 WeakPolarHBondContact O-CA 3.43Å; I121-T124 PolarHBondContact O-N 2.93Å; I121-I125 HydrophobicContact CG2-CB 4.48Å; I121-I125 PolarHBondContact O-N 2.73Å; I121-C128 HydrophobicContact CG2-CB 4.06Å; I121-I135 HydrophobicContact CD1-CD1 4.3Å; I121-I135 HydrophobicContact CD1-CG2 4.15Å; I121-V137 HydrophobicContact CD1-CG2 4.46Å; I121-V137 HydrophobicContact CG2-CG1 4.24Å; I121-V137 HydrophobicContact CG2-CG2 3.88Å; I121-I143 HydrophobicContact CD1-CD1 3.37Å; I121-I166 HydrophobicContact CG1-CG2 3.92Å
122H96.3Very high96.3Very high30 Ų3063 Ų6314%0.13931%0.306CS..Hα-helixtrans-62.3-25-178.1-168.556.8000114.8D98 F118 T124 I125 K126D98-H122 IonicContact OD1-CD2 3.55Å; D98-H122 IonicContact OD1-CE1 3.74Å; D98-H122 IonicContact OD1-NE2 2.73Å; D98-H122 PolarHBondContact OD1-NE2 3.48Å; D98-H122 IonicContact OD2-NE2 3.79Å; F118-H122 HydrophobicContact CD1-CB 4.43Å; F118-H122 HydrophobicContact CE1-CB 4.13Å; F118-H122 VanDerWaalsContact O-CB 3.28Å; F118-H122 WeakPolarHBondContact O-CB 3.33Å; F118-H122 PolarHBondContact O-N 2.83Å; H122-T124 VanDerWaalsContact C-N 3.33Å; H122-I125 WeakPolarHBondContact CA-O 3.42Å; H122-K126 WeakPolarHBondContact O-CD 3.44Å; H122-K126 WeakPolarHBondContact O-CE 3.37Å; H122-K126 PolarHBondContact O-NZ 2.84Å
123K94.7Very high96.4Very high162 Ų16263.9 Ų63.970%0.70430%0.303SS*.Hα-helixtrans-72.2-29.1171-77.1172-177.41750112.4Q119 I121Q119-K123 VanDerWaalsContact O-CG 3.27Å; Q119-K123 WeakPolarHBondContact O-CG 3.41Å; Q119-K123 PolarHBondContact O-N 2.73Å; Q119-K123 VanDerWaalsContact O-N 3.12Å; I121-K123 PolarHBondContact O-N 3Å
124T94.9Very high96.5Very high83 Ų8360.6 Ų60.651%0.50929%0.288SS..Hα-helixtrans-96.5-41.1-176.3-47.60000111.7T120 I121 H122 I166T120-T124 PolarHBondContact O-N 3.43Å; T120-T124 PolarHBondContact O-OG1 3.49Å; T120-T124 VanDerWaalsContact O-OG1 3.09Å; I121-T124 CarbonylContact O-C 3.56Å; I121-T124 WeakPolarHBondContact O-CA 3.43Å; I121-T124 PolarHBondContact O-N 2.93Å; H122-T124 VanDerWaalsContact C-N 3.33Å; T124-I166 HydrophobicContact CG2-CD1 3.92Å
125I95.4Very high96.5Very high21 Ų2160.6 Ų60.611%0.10829%0.288CS..  trans-130.9108.5-175.1-56.4173.3000107.1I121 H122 D127 V137 M138 I166I121-I125 HydrophobicContact CG2-CB 4.48Å; I121-I125 PolarHBondContact O-N 2.73Å; H122-I125 WeakPolarHBondContact CA-O 3.42Å; I125-D127 VanDerWaalsContact C-N 3.26Å; I125-D127 PolarHBondContact O-N 3.34Å; I125-V137 HydrophobicContact CB-CG1 4.44Å; I125-V137 HydrophobicContact CD1-CG1 3.88Å; I125-V137 HydrophobicContact CG2-CG1 3.95Å; I125-M138 HydrophobicContact CG2-CG 3.9Å; I125-M138 HydrophobicContact CG2-SD 4.21Å; I125-I166 HydrophobicContact CD1-CD1 3.63Å; I125-I166 HydrophobicContact CG1-CD1 4.22Å
126K92.1Very high96.5Very high133 Ų13359.7 Ų59.758%0.57828%0.284SS*.SBendtrans-70.8-24.2-178.4-68.6-68.3169.7-159.50113.6H122 C128H122-K126 WeakPolarHBondContact O-CD 3.44Å; H122-K126 WeakPolarHBondContact O-CE 3.37Å; H122-K126 PolarHBondContact O-NZ 2.84Å; K126-C128 VanDerWaalsContact C-N 3.3Å; K126-C128 PolarHBondContact O-N 3.36Å; K126-C128 VanDerWaalsContact O-N 3.12Å
127D95Very high96.6Very high86 Ų8655.9 Ų55.946%0.4627%0.267SS..  trans-85.773.9175.5-17010.8000110.5I125 M138I125-D127 VanDerWaalsContact C-N 3.26Å; I125-D127 PolarHBondContact O-N 3.34Å; D127-M138 HydrophobicContact CB-CG 4.31Å; D127-M138 PolarHBondContact O-N 2.93Å
128C96.1Very high96.4Very high12 Ų1260.1 Ų60.18%0.08129%0.288CS..EExtended strand (participates in β ladder)trans-143.4147168.169.60000110.6F118 I121 K126 M136 V137F118-C128 HydrophobicContact CE2-CB 4.42Å; I121-C128 HydrophobicContact CG2-CB 4.06Å; K126-C128 VanDerWaalsContact C-N 3.3Å; K126-C128 PolarHBondContact O-N 3.36Å; K126-C128 VanDerWaalsContact O-N 3.12Å; C128-M136 CarbonylContact C-O 3.55Å; C128-M136 WeakPolarHBondContact CA-O 3.42Å; C128-M136 WeakPolarHBondContact CB-O 3.3Å; C128-V137 HydrophobicContact CB-CB 4.48Å; C128-V137 HydrophobicContact CB-CG1 4.43Å; C128-V137 HydrophobicContact CB-CG2 4.18Å
129K96.2Very high96.2Very high93 Ų9364.1 Ų64.140%0.40431%0.309SS..EExtended strand (participates in β ladder)trans-146.7161.2-175.663.5-166.6174.6-156.10111M136 D139K129-M136 WeakPolarHBondContact CE-SD 3.35Å; K129-M136 HydrophobicContact CG-CB 4.1Å; K129-M136 HydrophobicContact CG-CG 4.49Å; K129-M136 HydrophobicContact CG-SD 4.49Å; K129-M136 PolarHBondContact N-O 2.83Å; K129-M136 PolarHBondContact O-N 2.48Å; K129-D139 WeakPolarHBondContact CE-OD1 3.46Å; K129-D139 VanDerWaalsContact NZ-CG 3.34Å; K129-D139 IonicContact NZ-OD1 2.63Å; K129-D139 PolarHBondContact NZ-OD1 2.92Å; K129-D139 IonicContact NZ-OD2 3.22Å; K129-D139 PolarHBondContact NZ-OD2 3.31Å
130W97.6Very high96.1Very high29 Ų2964.4 Ų64.411%0.1131%0.313CS..EExtended strand (participates in β ladder)trans-78.8136.2170.1-64.4107.3000110.8S101 Y104 A105 V110 F118 N134 I135S101-W130 PolarHBondContact O-NE1 3.38Å; S101-W130 PolarHBondContact OG-NE1 3.35Å; S101-W130 VanDerWaalsContact OG-NE1 3.14Å; Y104-W130 HydrophobicContact CD1-CB 3.64Å; Y104-W130 AromaticContact CD1-CD1 3.77Å; Y104-W130 AromaticContact CD1-CG 3.73Å; Y104-W130 HydrophobicContact CD1-CG 3.73Å; Y104-W130 HydrophobicContact CE1-CB 3.33Å; Y104-W130 AromaticContact CE1-CG 3.84Å; Y104-W130 HydrophobicContact CE1-CG 3.84Å; A105-W130 HydrophobicContact CB-CD2 4.33Å; A105-W130 HydrophobicContact CB-CH2 4.38Å; A105-W130 HydrophobicContact CB-CZ2 3.66Å; V110-W130 HydrophobicContact CG1-CH2 3.73Å; V110-W130 HydrophobicContact CG1-CZ3 3.89Å; V110-W130 HydrophobicContact CG2-CE3 4.4Å; V110-W130 HydrophobicContact CG2-CZ3 4.14Å; F118-W130 HydrophobicContact CB-CH2 3.51Å; F118-W130 HydrophobicContact CB-CZ2 3.28Å; F118-W130 HydrophobicContact CB-CZ3 4.5Å; F118-W130 AromaticContact CD1-CZ2 3.93Å; F118-W130 HydrophobicContact CD1-CZ2 3.93Å; F118-W130 AromaticContact CD1-NE1 3.94Å; F118-W130 HydrophobicContact CD2-CD2 4.01Å; F118-W130 AromaticContact CD2-CE2 3.57Å; F118-W130 HydrophobicContact CD2-CE3 4.43Å; F118-W130 HydrophobicContact CD2-CH2 4.08Å; F118-W130 AromaticContact CD2-CZ2 3.63Å; F118-W130 HydrophobicContact CD2-CZ2 3.63Å; F118-W130 HydrophobicContact CD2-CZ3 4.46Å; F118-W130 AromaticContact CD2-NE1 3.92Å; F118-W130 AromaticContact CE1-NE1 3.94Å; F118-W130 HydrophobicContact CE2-CD2 4.28Å; F118-W130 HydrophobicContact CE2-CG 4.4Å; F118-W130 HydrophobicContact CE2-CZ2 4.49Å; F118-W130 AromaticContact CE2-NE1 3.93Å; F118-W130 HydrophobicContact CG-CD2 4.5Å; F118-W130 AromaticContact CG-CE2 3.62Å; F118-W130 AromaticContact CG-CH2 3.94Å; F118-W130 HydrophobicContact CG-CH2 3.94Å; F118-W130 AromaticContact CG-CZ2 3.31Å; F118-W130 HydrophobicContact CG-CZ2 3.31Å; F118-W130 AromaticContact CG-NE1 3.95Å; F118-W130 AromaticContact CZ-NE1 3.95Å; W130-N134 WeakPolarHBondContact CA-O 3.48Å; W130-I135 HydrophobicContact CE3-CG1 4.07Å; W130-I135 HydrophobicContact CH2-CD1 4.29Å; W130-I135 HydrophobicContact CH2-CG1 3.91Å; W130-I135 HydrophobicContact CZ3-CD1 4.27Å; W130-I135 HydrophobicContact CZ3-CG1 3.46Å; W130-I135 VanDerWaalsContact CZ3-CG1 3.46Å
131Q96.6Very high96.2Very high90 Ų9062.4 Ų62.442%0.42130%0.301SS..EExtended strand (participates in β ladder)trans-122.7101.8164.9-178.1-174.251.800107.3K133 N134 M136Q131-K133 PolarHBondContact O-N 3.23Å; Q131-K133 VanDerWaalsContact O-N 3.09Å; Q131-N134 PolarHBondContact N-O 2.97Å; Q131-N134 WeakPolarHBondContact O-CA 3.31Å; Q131-N134 WeakPolarHBondContact O-CB 3.23Å; Q131-N134 PolarHBondContact O-N 3.11Å; Q131-M136 HydrophobicContact CB-CB 4.47Å; Q131-M136 HydrophobicContact CB-CE 4.27Å; Q131-M136 HydrophobicContact CG-CE 4.34Å; Q131-M136 VanDerWaalsContact OE1-CE 3.3Å
132E95.3Very high96.2Very high146 Ų14664.3 Ų64.368%0.68231%0.313SS*.THydrogen-bonded Turntrans54.3-113.5-167-58.2179.7175.400110.3Y104Y104-E132 VanDerWaalsContact CE1-O 3.29Å; Y104-E132 WeakPolarHBondContact CE1-O 3.42Å; Y104-E132 WeakPolarHBondContact OH-CA 3.34Å; Y104-E132 PolarHBondContact OH-N 2.98Å; Y104-E132 PolarHBondContact OH-O 3.16Å
133K97.7Very high96.3Very high100 Ų10062.9 Ų62.944%0.43531%0.306SS..THydrogen-bonded Turntrans-96.5-4.8173.6-66.7-178.9172.4-178.90113.3A108 V110 Q131 P145 Y147A108-K133 WeakPolarHBondContact O-CE 3.37Å; V110-K133 HydrophobicContact CG2-CB 4.25Å; V110-K133 HydrophobicContact CG2-CG 4.17Å; Q131-K133 PolarHBondContact O-N 3.23Å; Q131-K133 VanDerWaalsContact O-N 3.09Å; K133-P145 HydrophobicContact CB-CG 4.17Å; K133-Y147 VanDerWaalsContact O-CE1 3.27Å; K133-Y147 WeakPolarHBondContact O-CE1 3.45Å; K133-Y147 PolarHBondContact O-OH 2.86Å
134N98.1Very high96.5Very high33 Ų3356.4 Ų56.418%0.17628%0.282CS..EExtended strand (participates in β ladder)trans-87.4151.7-177.6-54.5-39.3000111.3W130 Q131 V142 I143 S144 P145W130-N134 WeakPolarHBondContact CA-O 3.48Å; Q131-N134 PolarHBondContact N-O 2.97Å; Q131-N134 WeakPolarHBondContact O-CA 3.31Å; Q131-N134 WeakPolarHBondContact O-CB 3.23Å; Q131-N134 PolarHBondContact O-N 3.11Å; N134-V142 HydrophobicContact CB-CG1 3.77Å; N134-I143 CarbonylContact C-O 3.59Å; N134-I143 WeakPolarHBondContact CA-O 3.42Å; N134-S144 WeakPolarHBondContact OD1-CA 3.24Å; N134-S144 WeakPolarHBondContact OD1-CB 3.49Å; N134-P145 WeakPolarHBondContact OD1-CD 3.05Å
135I98.3Very high96.6Very high0 Ų055.2 Ų55.20%028%0.275CS..EExtended strand (participates in β ladder)trans-94.9118.4169-54.3170.7000107.5L117 F118 I121 W130 V137 V142 I143 Y147L117-I135 HydrophobicContact CB-CD1 4.36Å; L117-I135 HydrophobicContact CD2-CD1 4.07Å; L117-I135 HydrophobicContact CG-CD1 4.14Å; F118-I135 HydrophobicContact CB-CD1 3.93Å; F118-I135 HydrophobicContact CB-CG1 4.31Å; F118-I135 HydrophobicContact CD2-CB 4.45Å; F118-I135 HydrophobicContact CD2-CD1 4.49Å; F118-I135 HydrophobicContact CD2-CG1 4.08Å; F118-I135 HydrophobicContact CD2-CG2 3.79Å; F118-I135 HydrophobicContact CE2-CG2 4.33Å; I121-I135 HydrophobicContact CD1-CD1 4.3Å; I121-I135 HydrophobicContact CD1-CG2 4.15Å; W130-I135 HydrophobicContact CE3-CG1 4.07Å; W130-I135 HydrophobicContact CH2-CD1 4.29Å; W130-I135 HydrophobicContact CH2-CG1 3.91Å; W130-I135 HydrophobicContact CZ3-CD1 4.27Å; W130-I135 HydrophobicContact CZ3-CG1 3.46Å; W130-I135 VanDerWaalsContact CZ3-CG1 3.46Å; I135-V137 HydrophobicContact CG2-CG2 3.89Å; I135-V142 CarbonylContact O-C 3.57Å; I135-V142 WeakPolarHBondContact O-CA 3.38Å; I135-I143 HydrophobicContact CB-CB 4.17Å; I135-I143 HydrophobicContact CB-CD1 4.43Å; I135-I143 HydrophobicContact CG2-CD1 4.5Å; I135-I143 PolarHBondContact N-O 3.06Å; I135-I143 PolarHBondContact O-N 3.45Å; I135-Y147 HydrophobicContact CD1-CD1 4.17Å; I135-Y147 HydrophobicContact CD1-CE1 4.44Å; I135-Y147 HydrophobicContact CG1-CD1 4.46Å; I135-Y147 HydrophobicContact CG1-CE1 4.33Å
136M97.9Very high96.7Very high23 Ų2358.2 Ų58.211%0.11330%0.296CS..EExtended strand (participates in β ladder)trans-100.9123.5174.1-178.3172.9-80.800108.9C128 K129 Q131 V141 V142C128-M136 CarbonylContact C-O 3.55Å; C128-M136 WeakPolarHBondContact CA-O 3.42Å; C128-M136 WeakPolarHBondContact CB-O 3.3Å; K129-M136 WeakPolarHBondContact CE-SD 3.35Å; K129-M136 HydrophobicContact CG-CB 4.1Å; K129-M136 HydrophobicContact CG-CG 4.49Å; K129-M136 HydrophobicContact CG-SD 4.49Å; K129-M136 PolarHBondContact N-O 2.83Å; K129-M136 PolarHBondContact O-N 2.48Å; Q131-M136 HydrophobicContact CB-CB 4.47Å; Q131-M136 HydrophobicContact CB-CE 4.27Å; Q131-M136 HydrophobicContact CG-CE 4.34Å; Q131-M136 VanDerWaalsContact OE1-CE 3.3Å; M136-V141 WeakPolarHBondContact CA-O 3.12Å; M136-V142 HydrophobicContact CE-CG2 4.28Å
137V97.8Very high97Very high1 Ų152.1 Ų52.11%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-117.9122.8-176.9-171.20000108.8I121 I125 C128 I135 D139 D140 V141 I143 V163I121-V137 HydrophobicContact CD1-CG2 4.46Å; I121-V137 HydrophobicContact CG2-CG1 4.24Å; I121-V137 HydrophobicContact CG2-CG2 3.88Å; I125-V137 HydrophobicContact CB-CG1 4.44Å; I125-V137 HydrophobicContact CD1-CG1 3.88Å; I125-V137 HydrophobicContact CG2-CG1 3.95Å; C128-V137 HydrophobicContact CB-CB 4.48Å; C128-V137 HydrophobicContact CB-CG1 4.43Å; C128-V137 HydrophobicContact CB-CG2 4.18Å; I135-V137 HydrophobicContact CG2-CG2 3.89Å; V137-D139 PolarHBondContact O-N 3.05Å; V137-D140 PolarHBondContact O-N 2.82Å; V137-D140 VanDerWaalsContact O-N 3.08Å; V137-V141 HydrophobicContact CB-CB 4.43Å; V137-V141 PolarHBondContact N-O 3.01Å; V137-V141 PolarHBondContact O-N 2.86Å; V137-V141 VanDerWaalsContact O-N 3.09Å; V137-I143 HydrophobicContact CG2-CD1 4.42Å; V137-V163 HydrophobicContact CB-CG2 4.19Å; V137-V163 HydrophobicContact CG1-CG2 3.92Å; V137-V163 HydrophobicContact CG2-CG2 4.49Å
138M94.8Very high97.1Very high89 Ų8950.8 Ų50.844%0.43826%0.26SS..THydrogen-bonded Turntrans51.426.9-179.3-60174.660.300114.3I125 D127 D140I125-M138 HydrophobicContact CG2-CG 3.9Å; I125-M138 HydrophobicContact CG2-SD 4.21Å; D127-M138 HydrophobicContact CB-CG 4.31Å; D127-M138 PolarHBondContact O-N 2.93Å; M138-D140 PolarHBondContact O-N 2.79Å
139D94Very high97.2Very high95 Ų9551.7 Ų51.751%0.50827%0.265SS..THydrogen-bonded Turntrans54.17.7-172-69.1-43.1000115.7K129 V137K129-D139 WeakPolarHBondContact CE-OD1 3.46Å; K129-D139 VanDerWaalsContact NZ-CG 3.34Å; K129-D139 IonicContact NZ-OD1 2.63Å; K129-D139 PolarHBondContact NZ-OD1 2.92Å; K129-D139 IonicContact NZ-OD2 3.22Å; K129-D139 PolarHBondContact NZ-OD2 3.31Å; V137-D139 PolarHBondContact O-N 3.05Å
140D95.3Very high97.2Very high82 Ų8253.7 Ų53.744%0.43928%0.276SS..THydrogen-bonded Turntrans-109.9-29.7-172.7-82-22.6000112.8V137 M138 G154V137-D140 PolarHBondContact O-N 2.82Å; V137-D140 VanDerWaalsContact O-N 3.08Å; M138-D140 PolarHBondContact O-N 2.79Å; D140-G154 VanDerWaalsContact O-CA 3.28Å; D140-G154 WeakPolarHBondContact O-CA 3.36Å
141V98.1Very high97.2Very high2 Ų253.8 Ų53.81%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-126.8130.4-175.2-175.60000110.2M136 V137 K153 A159 L160 V163M136-V141 WeakPolarHBondContact CA-O 3.12Å; V137-V141 HydrophobicContact CB-CB 4.43Å; V137-V141 PolarHBondContact N-O 3.01Å; V137-V141 PolarHBondContact O-N 2.86Å; V137-V141 VanDerWaalsContact O-N 3.09Å; V141-K153 CarbonylContact C-O 3.59Å; V141-K153 WeakPolarHBondContact CA-O 3.37Å; V141-A159 HydrophobicContact CG2-CB 4.29Å; V141-L160 HydrophobicContact CG1-CD1 3.79Å; V141-L160 HydrophobicContact CG2-CB 4.28Å; V141-L160 HydrophobicContact CG2-CD1 4.35Å; V141-V163 HydrophobicContact CB-CG2 4.16Å; V141-V163 HydrophobicContact CG1-CB 4.06Å; V141-V163 HydrophobicContact CG1-CG1 3.83Å; V141-V163 HydrophobicContact CG1-CG2 4.18Å; V141-V163 HydrophobicContact CG2-CG2 4.13Å
142V98.4Very high97.3Very high40 Ų4049.5 Ų49.524%0.24226%0.259CS..EExtended strand (participates in β ladder)trans-113.5128.2175.9-178.10000108.9N134 I135 M136 K153N134-V142 HydrophobicContact CB-CG1 3.77Å; I135-V142 CarbonylContact O-C 3.57Å; I135-V142 WeakPolarHBondContact O-CA 3.38Å; M136-V142 HydrophobicContact CE-CG2 4.28Å; V142-K153 PolarHBondContact N-O 2.77Å; V142-K153 PolarHBondContact O-N 3.01Å
143I98.6Very high97.4Very high0 Ų049.4 Ų49.40%026%0.256CS..EExtended strand (participates in β ladder)trans-111.3115.8172.8-43.4173.8000107.5L117 I121 N134 I135 V137 Y147 V163 V167L117-I143 HydrophobicContact CD2-CD1 4.45Å; L117-I143 HydrophobicContact CD2-CG2 4.29Å; I121-I143 HydrophobicContact CD1-CD1 3.37Å; N134-I143 CarbonylContact C-O 3.59Å; N134-I143 WeakPolarHBondContact CA-O 3.42Å; I135-I143 HydrophobicContact CB-CB 4.17Å; I135-I143 HydrophobicContact CB-CD1 4.43Å; I135-I143 HydrophobicContact CG2-CD1 4.5Å; I135-I143 PolarHBondContact N-O 3.06Å; I135-I143 PolarHBondContact O-N 3.45Å; V137-I143 HydrophobicContact CG2-CD1 4.42Å; I143-Y147 HydrophobicContact CG2-CD1 4.28Å; I143-V163 HydrophobicContact CD1-CG1 3.6Å; I143-V163 HydrophobicContact CG1-CG1 4.07Å; I143-V167 HydrophobicContact CD1-CG2 3.9Å
144S98.3Very high97.4Very high27 Ų2746.3 Ų46.319%0.18925%0.252CS..  trans-100.8156.5-17949.10000111.4N134 Y147 N151N134-S144 WeakPolarHBondContact OD1-CA 3.24Å; N134-S144 WeakPolarHBondContact OD1-CB 3.49Å; S144-Y147 VanDerWaalsContact O-CA 3.3Å; S144-Y147 WeakPolarHBondContact O-CA 3.47Å; S144-Y147 PolarHBondContact O-N 3.38Å; S144-N151 PolarHBondContact N-O 2.84Å; S144-N151 WeakPolarHBondContact O-CB 3.44Å; S144-N151 PolarHBondContact OG-O 3.44Å
145P97.9Very high97.2Very high58 Ų5853 Ų5338%0.37728%0.28SS..THydrogen-bonded Turntrans-50.3143.4168-20.326000111.6K133 N134 Y147K133-P145 HydrophobicContact CB-CG 4.17Å; N134-P145 WeakPolarHBondContact OD1-CD 3.05Å; P145-Y147 VanDerWaalsContact C-N 3.3Å; P145-Y147 VanDerWaalsContact CA-N 3.34Å; P145-Y147 HydrophobicContact CB-CD2 4.48Å; P145-Y147 HydrophobicContact CB-CE2 4.01Å; P145-Y147 HydrophobicContact CG-CE1 4.14Å; P145-Y147 HydrophobicContact CG-CE2 4.04Å; P145-Y147 WeakPolarHBondContact CG-OH 3.45Å
146P97.1Very high97Very high84 Ų8460.1 Ų60.155%0.54531%0.313SS..THydrogen-bonded Turncis-8326.52.834.5-38.4000115.6Q148 N151P146-Q148 VanDerWaalsContact C-N 3.3Å; P146-Q148 HydrophobicContact CG-CG 4.17Å; P146-Q148 PolarHBondContact O-N 3.02Å; P146-Q148 PolarHBondContact O-NE2 2.89Å; P146-N151 VanDerWaalsContact CD-OD1 3.25Å; P146-N151 WeakPolarHBondContact CD-OD1 3.4Å
147Y97.8Very high96.8Very high4 Ų460.8 Ų60.82%0.01633%0.326CS..  trans63.928.5171.8-48.6-75.6000115.1V110 G114 K133 I135 I143 S144 P145 N151 F171V110-Y147 HydrophobicContact CG1-CE2 4.36Å; V110-Y147 WeakPolarHBondContact CG1-OH 3.33Å; G114-Y147 VanDerWaalsContact CA-CD2 3.47Å; K133-Y147 VanDerWaalsContact O-CE1 3.27Å; K133-Y147 WeakPolarHBondContact O-CE1 3.45Å; K133-Y147 PolarHBondContact O-OH 2.86Å; I135-Y147 HydrophobicContact CD1-CD1 4.17Å; I135-Y147 HydrophobicContact CD1-CE1 4.44Å; I135-Y147 HydrophobicContact CG1-CD1 4.46Å; I135-Y147 HydrophobicContact CG1-CE1 4.33Å; I143-Y147 HydrophobicContact CG2-CD1 4.28Å; S144-Y147 VanDerWaalsContact O-CA 3.3Å; S144-Y147 WeakPolarHBondContact O-CA 3.47Å; S144-Y147 PolarHBondContact O-N 3.38Å; P145-Y147 VanDerWaalsContact C-N 3.3Å; P145-Y147 VanDerWaalsContact CA-N 3.34Å; P145-Y147 HydrophobicContact CB-CD2 4.48Å; P145-Y147 HydrophobicContact CB-CE2 4.01Å; P145-Y147 HydrophobicContact CG-CE1 4.14Å; P145-Y147 HydrophobicContact CG-CE2 4.04Å; P145-Y147 WeakPolarHBondContact CG-OH 3.45Å; Y147-N151 PolarHBondContact N-OD1 3.05Å; Y147-F171 WeakPolarHBondContact O-CE2 3.23Å; Y147-F171 WeakPolarHBondContact O-CZ 3.42Å
148Q97.6Very high96.7Very high59 Ų5965.7 Ų65.728%0.27636%0.36SS..  trans-85.1171174.7-55.6-58-47.900111.4P146 E150 N151 F171P146-Q148 VanDerWaalsContact C-N 3.3Å; P146-Q148 HydrophobicContact CG-CG 4.17Å; P146-Q148 PolarHBondContact O-N 3.02Å; P146-Q148 PolarHBondContact O-NE2 2.89Å; Q148-E150 HydrophobicContact CB-CG 4.04Å; Q148-E150 VanDerWaalsContact CB-OE1 3.24Å; Q148-E150 WeakPolarHBondContact CB-OE1 3.38Å; Q148-E150 VanDerWaalsContact CB-OE2 3.3Å; Q148-E150 WeakPolarHBondContact CB-OE2 3.31Å; Q148-E150 PolarHBondContact O-N 3.25Å; Q148-N151 VanDerWaalsContact CB-OD1 3.31Å; Q148-N151 WeakPolarHBondContact CB-OD1 3.44Å; Q148-N151 PolarHBondContact N-OD1 3.27Å; Q148-N151 WeakPolarHBondContact O-CB 3.45Å; Q148-N151 PolarHBondContact O-N 2.98Å; Q148-F171 VanDerWaalsContact NE2-CZ 3.33Å
149V97.4Very high96.7Very high30 Ų3062.9 Ų62.918%0.18235%0.351CS..G310 helixtrans-59.4-39.7-179.3-1760000110.8N151 C152 R164 V167 E168V149-N151 PolarHBondContact O-N 3.43Å; V149-C152 VanDerWaalsContact O-CB 3.3Å; V149-C152 WeakPolarHBondContact O-CB 3.46Å; V149-C152 PolarHBondContact O-N 2.89Å; V149-C152 PolarHBondContact O-SG 3.09Å; V149-R164 HydrophobicContact CG1-CB 3.91Å; V149-R164 HydrophobicContact CG1-CG 3.83Å; V149-V167 HydrophobicContact CG2-CB 4.34Å; V149-V167 HydrophobicContact CG2-CG1 3.91Å; V149-E168 HydrophobicContact CB-CG 4.46Å; V149-E168 HydrophobicContact CG1-CG 4.13Å; V149-E168 HydrophobicContact CG2-CB 4.44Å; V149-E168 HydrophobicContact CG2-CG 3.47Å; V149-E168 VanDerWaalsContact CG2-CG 3.47Å
150E97.4Very high96.8Very high136 Ų13658.4 Ų58.464%0.63633%0.327SS*.G310 helixtrans-66.2-20175.160.4-90.5-156.400113.7Q148 C152Q148-E150 HydrophobicContact CB-CG 4.04Å; Q148-E150 VanDerWaalsContact CB-OE1 3.24Å; Q148-E150 WeakPolarHBondContact CB-OE1 3.38Å; Q148-E150 VanDerWaalsContact CB-OE2 3.3Å; Q148-E150 WeakPolarHBondContact CB-OE2 3.31Å; Q148-E150 PolarHBondContact O-N 3.25Å; E150-C152 VanDerWaalsContact C-N 3.31Å
151N97.8Very high97Very high30 Ų3057.1 Ų57.116%0.1633%0.325CS..G310 helixtrans-87.7-0177.1-52.5122.7000113.3S144 P146 Y147 Q148 V149S144-N151 PolarHBondContact N-O 2.84Å; S144-N151 WeakPolarHBondContact O-CB 3.44Å; S144-N151 PolarHBondContact OG-O 3.44Å; P146-N151 VanDerWaalsContact CD-OD1 3.25Å; P146-N151 WeakPolarHBondContact CD-OD1 3.4Å; Y147-N151 PolarHBondContact N-OD1 3.05Å; Q148-N151 VanDerWaalsContact CB-OD1 3.31Å; Q148-N151 WeakPolarHBondContact CB-OD1 3.44Å; Q148-N151 PolarHBondContact N-OD1 3.27Å; Q148-N151 WeakPolarHBondContact O-CB 3.45Å; Q148-N151 PolarHBondContact O-N 2.98Å; V149-N151 PolarHBondContact O-N 3.43Å
152C97.9Very high96.9Very high1 Ų161.5 Ų61.51%0.00735%0.345CS..EExtended strand (participates in β ladder)trans-79.8115.9172.5-58.80000110.2V149 E150 L160 R164V149-C152 VanDerWaalsContact O-CB 3.3Å; V149-C152 WeakPolarHBondContact O-CB 3.46Å; V149-C152 PolarHBondContact O-N 2.89Å; V149-C152 PolarHBondContact O-SG 3.09Å; E150-C152 VanDerWaalsContact C-N 3.31Å; C152-L160 HydrophobicContact CB-CD1 4Å; C152-R164 HydrophobicContact CB-CG 3.89Å; C152-R164 PolarHBondContact O-NH2 3.48Å
153K97.8Very high96.9Very high144 Ų14459.8 Ų59.863%0.62634%0.335SS*.EExtended strand (participates in β ladder)trans-121.3139.2179-62.7-176-179.3179.30110.2V141 V142V141-K153 CarbonylContact C-O 3.59Å; V141-K153 WeakPolarHBondContact CA-O 3.37Å; V142-K153 PolarHBondContact N-O 2.77Å; V142-K153 PolarHBondContact O-N 3.01Å
154G96.1Very high96.8Very high34 Ų3463.4 Ų63.435%0.35135%0.348SS..EExtended strand (participates in β ladder)trans178.5-178.6179.200000109.9D140D140-G154 VanDerWaalsContact O-CA 3.28Å; D140-G154 WeakPolarHBondContact O-CA 3.36Å
155K95Very high96.8Very high173 Ų17368.6 Ų68.675%0.75237%0.367SS*.  trans-64.7137.4171.3-68.6177.6-177.1168.10109.6G157K155-G157 PolarHBondContact O-N 3.45Å
156E94.1Very high96.8Very high151 Ų15166.5 Ų66.571%0.70635%0.353SS*.THydrogen-bonded Turntrans-58.6131.6174.2-70.7-59.5150.300110.1
157G94.1Very high96.9Very high37 Ų3762.5 Ų62.538%0.38133%0.327SS..THydrogen-bonded Turntrans155-166.3-175.300000114.5K155 S161K155-G157 PolarHBondContact O-N 3.45Å; G157-S161 WeakPolarHBondContact O-CB 3.43Å; G157-S161 PolarHBondContact O-N 2.86Å; G157-S161 VanDerWaalsContact O-N 3.15Å; G157-S161 PolarHBondContact O-OG 2.9Å
158S94.8Very high96.9Very high104 Ų10466.9 Ų66.973%0.72735%0.347SS*.Hα-helixtrans-66-39.9-17655.90000112.8S161 H162S158-S161 PolarHBondContact O-N 2.83Å; S158-H162 VanDerWaalsContact O-CB 3.27Å; S158-H162 WeakPolarHBondContact O-CB 3.2Å; S158-H162 PolarHBondContact O-N 3.16Å
159A94.7Very high96.9Very high30 Ų3070.2 Ų70.225%0.24836%0.361CS..Hα-helixtrans-60.7-54.3-179.700000111.6V141 S161 H162 V163V141-A159 HydrophobicContact CG2-CB 4.29Å; A159-S161 VanDerWaalsContact C-N 3.32Å; A159-S161 PolarHBondContact O-N 2.83Å; A159-H162 PolarHBondContact O-N 3.37Å; A159-V163 WeakPolarHBondContact O-CG2 3.36Å; A159-V163 PolarHBondContact O-N 2.78Å
160L97.6Very high96.9Very high1 Ų169.2 Ų69.21%0.00535%0.354CS..Hα-helixtrans-59.6-43.4177.5-178.160.5000111.8V141 C152 H162 V163 R164V141-L160 HydrophobicContact CG1-CD1 3.79Å; V141-L160 HydrophobicContact CG2-CB 4.28Å; V141-L160 HydrophobicContact CG2-CD1 4.35Å; C152-L160 HydrophobicContact CB-CD1 4Å; L160-H162 VanDerWaalsContact C-N 3.32Å; L160-H162 PolarHBondContact O-N 2.86Å; L160-V163 PolarHBondContact O-N 2.79Å; L160-R164 WeakPolarHBondContact O-CG 3.45Å; L160-R164 PolarHBondContact O-N 2.84Å
161S97.6Very high96.8Very high55 Ų5564.8 Ų64.839%0.38533%0.333SS..Hα-helixtrans-62.7-38.3177.4-610000112.6G157 S158 A159 K165G157-S161 WeakPolarHBondContact O-CB 3.43Å; G157-S161 PolarHBondContact O-N 2.86Å; G157-S161 VanDerWaalsContact O-N 3.15Å; G157-S161 PolarHBondContact O-OG 2.9Å; S158-S161 PolarHBondContact O-N 2.83Å; A159-S161 VanDerWaalsContact C-N 3.32Å; A159-S161 PolarHBondContact O-N 2.83Å; S161-K165 WeakPolarHBondContact O-CG 3.34Å; S161-K165 PolarHBondContact O-N 3.41Å
162H96.8Very high96.7Very high94 Ų9471.2 Ų71.244%0.43536%0.355SS..Hα-helixtrans-70.4-45.1178.5-171.861.7000111.4S158 A159 L160 R164 K165 I166S158-H162 VanDerWaalsContact O-CB 3.27Å; S158-H162 WeakPolarHBondContact O-CB 3.2Å; S158-H162 PolarHBondContact O-N 3.16Å; A159-H162 PolarHBondContact O-N 3.37Å; L160-H162 VanDerWaalsContact C-N 3.32Å; L160-H162 PolarHBondContact O-N 2.86Å; H162-R164 PolarHBondContact O-N 2.64Å; H162-K165 WeakPolarHBondContact O-CB 3.41Å; H162-K165 PolarHBondContact O-N 3.33Å; H162-I166 WeakPolarHBondContact O-CG1 3.48Å; H162-I166 PolarHBondContact O-N 3.17Å; H162-I166 VanDerWaalsContact O-N 3.08Å
163V97.8Very high96.5Very high4 Ų474.5 Ų74.52%0.02437%0.372CS..Hα-helixtrans-59.7-46.8176.1173.20000110.9V137 V141 I143 A159 L160 K165 I166 V167V137-V163 HydrophobicContact CB-CG2 4.19Å; V137-V163 HydrophobicContact CG1-CG2 3.92Å; V137-V163 HydrophobicContact CG2-CG2 4.49Å; V141-V163 HydrophobicContact CB-CG2 4.16Å; V141-V163 HydrophobicContact CG1-CB 4.06Å; V141-V163 HydrophobicContact CG1-CG1 3.83Å; V141-V163 HydrophobicContact CG1-CG2 4.18Å; V141-V163 HydrophobicContact CG2-CG2 4.13Å; I143-V163 HydrophobicContact CD1-CG1 3.6Å; I143-V163 HydrophobicContact CG1-CG1 4.07Å; A159-V163 WeakPolarHBondContact O-CG2 3.36Å; A159-V163 PolarHBondContact O-N 2.78Å; L160-V163 PolarHBondContact O-N 2.79Å; V163-K165 VanDerWaalsContact C-N 3.32Å; V163-K165 PolarHBondContact O-N 3.44Å; V163-I166 WeakPolarHBondContact O-CB 3.17Å; V163-I166 PolarHBondContact O-N 3.21Å; V163-V167 HydrophobicContact CG1-CG2 4.34Å; V163-V167 WeakPolarHBondContact O-CG2 3.43Å; V163-V167 PolarHBondContact O-N 3.28Å
164R98.2Very high96.3Very high76 Ų7669.2 Ų69.229%0.28735%0.352SS..Hα-helixtrans-55.7-44.2175.9-77-177.6177.2151.75.7112.5V149 C152 L160 H162 I166 V167 E168V149-R164 HydrophobicContact CG1-CB 3.91Å; V149-R164 HydrophobicContact CG1-CG 3.83Å; C152-R164 HydrophobicContact CB-CG 3.89Å; C152-R164 PolarHBondContact O-NH2 3.48Å; L160-R164 WeakPolarHBondContact O-CG 3.45Å; L160-R164 PolarHBondContact O-N 2.84Å; H162-R164 PolarHBondContact O-N 2.64Å; R164-I166 VanDerWaalsContact C-N 3.32Å; R164-I166 PolarHBondContact O-N 3.21Å; R164-V167 PolarHBondContact O-N 2.88Å; R164-E168 WeakPolarHBondContact O-CG 3.28Å; R164-E168 PolarHBondContact O-N 2.83Å
165K98Very high96.1Very high135 Ų13574.1 Ų74.159%0.58737%0.366SS*.Hα-helixtrans-61.2-37.9175.6-73.2173.6-176.6178.80113S161 H162 V163 K169S161-K165 WeakPolarHBondContact O-CG 3.34Å; S161-K165 PolarHBondContact O-N 3.41Å; H162-K165 WeakPolarHBondContact O-CB 3.41Å; H162-K165 PolarHBondContact O-N 3.33Å; V163-K165 VanDerWaalsContact C-N 3.32Å; V163-K165 PolarHBondContact O-N 3.44Å; K165-K169 VanDerWaalsContact O-CB 3.29Å; K165-K169 WeakPolarHBondContact O-CB 3.47Å; K165-K169 PolarHBondContact O-N 2.84Å
166I97.9Very high95.9Very high15 Ų1568.8 Ų68.88%0.07735%0.35CS..Hα-helixtrans-65.3-44175.8-65.3167.4000110.1T120 I121 T124 I125 H162 V163 R164 K169 H170T120-I166 HydrophobicContact CG2-CG2 4.14Å; I121-I166 HydrophobicContact CG1-CG2 3.92Å; T124-I166 HydrophobicContact CG2-CD1 3.92Å; I125-I166 HydrophobicContact CD1-CD1 3.63Å; I125-I166 HydrophobicContact CG1-CD1 4.22Å; H162-I166 WeakPolarHBondContact O-CG1 3.48Å; H162-I166 PolarHBondContact O-N 3.17Å; H162-I166 VanDerWaalsContact O-N 3.08Å; V163-I166 WeakPolarHBondContact O-CB 3.17Å; V163-I166 PolarHBondContact O-N 3.21Å; R164-I166 VanDerWaalsContact C-N 3.32Å; R164-I166 PolarHBondContact O-N 3.21Å; I166-K169 PolarHBondContact O-N 3.15Å; I166-H170 WeakPolarHBondContact O-CB 3.28Å; I166-H170 PolarHBondContact O-N 3.36Å
167V98Very high95.5Very high0 Ų067.5 Ų67.50%034%0.344CS..Hα-helixtrans-63.1-47.6178.2-179.80000110.9L117 I143 V149 V163 R164 K169 H170 F171L117-V167 HydrophobicContact CD1-CB 4.36Å; L117-V167 HydrophobicContact CD1-CG1 4.32Å; L117-V167 HydrophobicContact CD1-CG2 4.06Å; L117-V167 HydrophobicContact CD2-CG1 4.27Å; L117-V167 HydrophobicContact CD2-CG2 4.19Å; I143-V167 HydrophobicContact CD1-CG2 3.9Å; V149-V167 HydrophobicContact CG2-CB 4.34Å; V149-V167 HydrophobicContact CG2-CG1 3.91Å; V163-V167 HydrophobicContact CG1-CG2 4.34Å; V163-V167 WeakPolarHBondContact O-CG2 3.43Å; V163-V167 PolarHBondContact O-N 3.28Å; R164-V167 PolarHBondContact O-N 2.88Å; V167-K169 VanDerWaalsContact C-N 3.34Å; V167-K169 PolarHBondContact O-N 2.82Å; V167-H170 WeakPolarHBondContact O-CB 3.49Å; V167-H170 PolarHBondContact O-N 2.88Å; V167-F171 HydrophobicContact CG1-CD2 3.94Å; V167-F171 HydrophobicContact CG1-CE2 3.6Å; V167-F171 VanDerWaalsContact O-CD2 3.22Å; V167-F171 WeakPolarHBondContact O-CD2 3.35Å; V167-F171 PolarHBondContact O-N 3.19Å
168E97.8Very high94.9Very high95 Ų9572.8 Ų72.844%0.44436%0.357SS..Hα-helixtrans-56.9-46.5174.9-74.4170.5-16900112.1V149 R164 F171 R172V149-E168 HydrophobicContact CB-CG 4.46Å; V149-E168 HydrophobicContact CG1-CG 4.13Å; V149-E168 HydrophobicContact CG2-CB 4.44Å; V149-E168 HydrophobicContact CG2-CG 3.47Å; V149-E168 VanDerWaalsContact CG2-CG 3.47Å; R164-E168 WeakPolarHBondContact O-CG 3.28Å; R164-E168 PolarHBondContact O-N 2.83Å; E168-F171 PolarHBondContact O-N 3.31Å; E168-R172 PolarHBondContact O-N 3.23Å; E168-R172 VanDerWaalsContact O-N 3.12Å
169K97.4Very high94Very high129 Ų12971.6 Ų71.656%0.56135%0.349SS*.Hα-helixtrans-62.7-43.2177.8-177.3-177.2174.7-174.60111.3K165 I166 V167 F171 R172 D173K165-K169 VanDerWaalsContact O-CB 3.29Å; K165-K169 WeakPolarHBondContact O-CB 3.47Å; K165-K169 PolarHBondContact O-N 2.84Å; I166-K169 PolarHBondContact O-N 3.15Å; V167-K169 VanDerWaalsContact C-N 3.34Å; V167-K169 PolarHBondContact O-N 2.82Å; K169-F171 PolarHBondContact O-N 3.14Å; K169-R172 PolarHBondContact O-N 2.92Å; K169-D173 WeakPolarHBondContact CE-OD2 3.31Å; K169-D173 WeakPolarHBondContact O-CB 3.4Å; K169-D173 VanDerWaalsContact O-CG 3.3Å; K169-D173 PolarHBondContact O-N 3.17Å
170H97.2Very high92.9Very high9 Ų975.7 Ų75.74%0.04237%0.371CS..Hα-helixtrans-54.4-51.6178.5173.979.7000111.4L117 T120 I166 V167 R172 D173 V174L117-H170 HydrophobicContact CD1-CB 3.77Å; T120-H170 HydrophobicContact CG2-CB 4.1Å; T120-H170 PolarHBondContact OG1-ND1 3.02Å; I166-H170 WeakPolarHBondContact O-CB 3.28Å; I166-H170 PolarHBondContact O-N 3.36Å; V167-H170 WeakPolarHBondContact O-CB 3.49Å; V167-H170 PolarHBondContact O-N 2.88Å; H170-R172 PolarHBondContact O-N 3.16Å; H170-D173 PolarHBondContact O-N 2.9Å; H170-V174 VanDerWaalsContact O-CG2 3.29Å; H170-V174 WeakPolarHBondContact O-CG2 3.48Å; H170-V174 PolarHBondContact O-N 3.46Å
171F96.1Very high91Very high44 Ų4483.5 Ų83.519%0.19341%0.407CS..Hα-helixtrans-64.8-40.7-180-73.5-67.7000112.5Y147 Q148 V167 E168 K169 D173 V174 E175Y147-F171 WeakPolarHBondContact O-CE2 3.23Å; Y147-F171 WeakPolarHBondContact O-CZ 3.42Å; Q148-F171 VanDerWaalsContact NE2-CZ 3.33Å; V167-F171 HydrophobicContact CG1-CD2 3.94Å; V167-F171 HydrophobicContact CG1-CE2 3.6Å; V167-F171 VanDerWaalsContact O-CD2 3.22Å; V167-F171 WeakPolarHBondContact O-CD2 3.35Å; V167-F171 PolarHBondContact O-N 3.19Å; E168-F171 PolarHBondContact O-N 3.31Å; K169-F171 PolarHBondContact O-N 3.14Å; F171-D173 VanDerWaalsContact C-N 3.35Å; F171-D173 PolarHBondContact O-N 2.96Å; F171-V174 PolarHBondContact O-N 2.76Å; F171-E175 WeakPolarHBondContact O-CG 2.99Å; F171-E175 PolarHBondContact O-N 2.96Å
172R95.9Very high88.8Confident165 Ų16591.5 Ų91.562%0.62343%0.429SS*.Hα-helixtrans-59.6-43.4174.6-172.4-173.6-57.9-142.50.1112.5E168 K169 H170 S176E168-R172 PolarHBondContact O-N 3.23Å; E168-R172 VanDerWaalsContact O-N 3.12Å; K169-R172 PolarHBondContact O-N 2.92Å; H170-R172 PolarHBondContact O-N 3.16Å; R172-S176 WeakPolarHBondContact O-CB 3.43Å; R172-S176 PolarHBondContact O-N 3.29Å; R172-S176 PolarHBondContact O-OG 2.9Å
173D94.4Very high86.5Confident69 Ų6992.3 Ų92.337%0.36944%0.442SS..Hα-helixtrans-67.2-40.3179.3-71.1-12.1000110.8K169 H170 F171 S176 Q177K169-D173 WeakPolarHBondContact CE-OD2 3.31Å; K169-D173 WeakPolarHBondContact O-CB 3.4Å; K169-D173 VanDerWaalsContact O-CG 3.3Å; K169-D173 PolarHBondContact O-N 3.17Å; H170-D173 PolarHBondContact O-N 2.9Å; F171-D173 VanDerWaalsContact C-N 3.35Å; F171-D173 PolarHBondContact O-N 2.96Å; D173-S176 PolarHBondContact O-N 3.45Å; D173-Q177 WeakPolarHBondContact O-CG 3.35Å; D173-Q177 PolarHBondContact O-N 2.84Å
174V92.6Very high83.9Confident34 Ų34101.9 Ų101.921%0.20649%0.487CS..Hα-helixtrans-65-43176.3169.80000111.8H170 F171 Q177 K178H170-V174 VanDerWaalsContact O-CG2 3.29Å; H170-V174 WeakPolarHBondContact O-CG2 3.48Å; H170-V174 PolarHBondContact O-N 3.46Å; F171-V174 PolarHBondContact O-N 2.76Å; V174-Q177 PolarHBondContact O-N 2.79Å; V174-K178 PolarHBondContact O-N 3.17Å; V174-K178 VanDerWaalsContact O-N 3.1Å
175E91.5Very high81.5Confident137 Ų137103 Ų10364%0.6451%0.512SS*.Hα-helixtrans-62.9-42.4175.2-74-178148.100112F171 Q177 K178 S179F171-E175 WeakPolarHBondContact O-CG 2.99Å; F171-E175 PolarHBondContact O-N 2.96Å; E175-Q177 VanDerWaalsContact C-N 3.29Å; E175-Q177 PolarHBondContact O-N 2.8Å; E175-K178 PolarHBondContact O-N 3.22Å; E175-S179 PolarHBondContact O-N 2.92Å; E175-S179 VanDerWaalsContact O-N 3.09Å
176S91.4Very high78.9Confident60 Ų60105.5 Ų105.542%0.4253%0.526SS..Hα-helixtrans-63.7-34.7177.4-57.60000112.2R172 D173 S179 V180R172-S176 WeakPolarHBondContact O-CB 3.43Å; R172-S176 PolarHBondContact O-N 3.29Å; R172-S176 PolarHBondContact O-OG 2.9Å; D173-S176 PolarHBondContact O-N 3.45Å; S176-S179 PolarHBondContact O-OG 3.03Å; S176-V180 WeakPolarHBondContact O-CG2 3.39Å; S176-V180 PolarHBondContact O-N 3.2Å
177Q85.9Confident76.2Confident124 Ų124113.8 Ų113.858%0.57957%0.565SS**Hα-helixtrans-72-35.5174.9-72.7175.321.800112.5D173 V174 E175 Q181D173-Q177 WeakPolarHBondContact O-CG 3.35Å; D173-Q177 PolarHBondContact O-N 2.84Å; V174-Q177 PolarHBondContact O-N 2.79Å; E175-Q177 VanDerWaalsContact C-N 3.29Å; E175-Q177 PolarHBondContact O-N 2.8Å; Q177-Q181 PolarHBondContact O-N 2.85Å
178K82.5Confident73.5Confident148 Ų148120.4 Ų120.464%0.64361%0.605SS**Hα-helixtrans-66.3-36.8175.9-76.1178.6179.7176.60112.5V174 E175V174-K178 PolarHBondContact O-N 3.17Å; V174-K178 VanDerWaalsContact O-N 3.1Å; E175-K178 PolarHBondContact O-N 3.22Å
179S75.4Confident71Confident80 Ų80125 Ų12556%0.55963%0.627SS**Hα-helixtrans-70.7-34179.862.20000112.8E175 S176 Q181E175-S179 PolarHBondContact O-N 2.92Å; E175-S179 VanDerWaalsContact O-N 3.09Å; S176-S179 PolarHBondContact O-OG 3.03Å; S179-Q181 VanDerWaalsContact C-N 3.33Å; S179-Q181 PolarHBondContact O-N 3.39Å
180V70.7Confident68.4Low116 Ų116128.3 Ų128.370%0.70364%0.641SS**Hα-helixtrans-71.3-25.1178.2176.20000112.6S176S176-V180 WeakPolarHBondContact O-CG2 3.39Å; S176-V180 PolarHBondContact O-N 3.2Å
181Q57.8Low65.7Low164 Ų164136 Ų13677%0.76668%0.683SS**THydrogen-bonded Turntrans-84.5-5.4179.7-70-179.910.100114.9Q177 S179Q177-Q181 PolarHBondContact O-N 2.85Å; S179-Q181 VanDerWaalsContact C-N 3.33Å; S179-Q181 PolarHBondContact O-N 3.39Å
182R52Low63.3Low223 Ų223139.4 Ų139.484%0.84271%0.712SS**  trans-110.985.1171.8-82.5-176.3175.5-171.1-1109.4
183P48.1Very low60.9Low112 Ų112137.6 Ų137.673%0.72772%0.719SS**  -156.3107.710533.1-11.4000114.6
184Q43.9Very low58.5Low204 Ų204142.6 Ų142.695%0.95375%0.745SS**SBendtrans-15417.9155.6-123.6-179.319.700115.7
185A46.5Very low56.1Low100 Ų100146.9 Ų146.983%0.82678%0.777SS**SBendtrans-111.58.8-175.900000115.6
186Q43.8Very low54Low188 Ų188149.9 Ų149.988%0.87981%0.813SS**SBendtrans-138.668.2-179.4-78.5-178.7-24.900112.4
187Q41.8Very low52.2Low189 Ų189154.4 Ų154.488%0.88383%0.833SS**  trans-162.671.5160-116.1171.515.200110
188T41.9Very low50.4Low139 Ų139156 Ų15685%0.85385%0.846SS**  trans-152.633.1169.5-170000114.1
189Q44.2Very low48.6Very low192 Ų192156.4 Ų156.490%0.89786%0.857SS**SBendtrans-144.781.2166.2-81.9-171.1-11.100110.2
190K42.3Very low47Very low197 Ų197160.9 Ų160.986%0.85788%0.875SS**SBendtrans-17673.9156.5-107.8-176.1-179-173.90107.6
191D40.2Very low45.6Very low171 Ų171163.8 Ų163.891%0.91489%0.885SS**  trans-172.648.9158.4-96.9-23.2000111.7
192S46.6Very low44.7Very low116 Ų116163.7 Ų163.781%0.81189%0.893SS**  trans-135.951.1169.658.90000111.9
193T45.8Very low44.2Very low126 Ų126159.5 Ų159.577%0.77390%0.897SS**  trans-146.3101.5159.448.90000107.9
194L43.3Very low43.9Very low174 Ų174163.2 Ų163.291%0.91191%0.91SS**  trans157.583.2145.7-83.5150.4000110.5
195S43.3Very low43.9Very low125 Ų125159.8 Ų159.887%0.87491%0.906SS**  trans-162.3102.3143.3-86.20000108.5
196S47.5Very low43.7Very low200 Ų200165.2 Ų165.2100%1.39991%0.914SS**  trans-143.50157.7-660000106.6

Retrieved 196 of 196 residues in 1003.2 ms (Link to these results)

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