A0A060W9V1_ONCMY Loading...

LSM12 homolog b

AlphaFold DB (A0A673X8S1), UniProt , Accession A0A060W9V1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 196 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M36.8Very low54.6Low240 Ų240100.9 Ų100.9100%1.18262%0.617SS**  0108.10-59.5-64.6-105.200106.6
2A36.6Very low57.6Low103 Ų10397.9 Ų97.985%0.85160%0.599SS**PPolyproline II helixtrans-75.4131174.300000107.9
3A36.2Very low60.1Low86 Ų8690.7 Ų90.771%0.71156%0.556SS**PPolyproline II helixtrans-61.5145.4168.900000109G5A3-G5 PolarHBondContact O-N 2.94Å
4P47.3Very low62.4Low101 Ų10184.4 Ų84.466%0.65652%0.517SS*.PPolyproline II helixtrans-53.8134.7173.721.2-30.3000109.2
5G45.3Very low64.6Low37 Ų3783.3 Ų83.338%0.38150%0.504SS..PPolyproline II helixtrans-61.5152.8-178.700000110.6A3 G7 E8A3-G5 PolarHBondContact O-N 2.94Å; G5-G7 PolarHBondContact O-N 3.33Å; G5-E8 PolarHBondContact O-N 3.25Å
6P42.4Very low66.5Low148 Ų14878.2 Ų78.296%0.96147%0.473SS*.THydrogen-bonded Turntrans-56.2111.8172.7-15.526.7000109.2
7G54.6Low68.2Low38 Ų3873.8 Ų73.839%0.39245%0.447SS..THydrogen-bonded Turntrans120.5-10.1178.100000116.2G5 Y9 Y35G5-G7 PolarHBondContact O-N 3.33Å; G7-Y9 WeakPolarHBondContact O-CD2 3.38Å; G7-Y9 PolarHBondContact O-N 3.43Å; G7-Y35 WeakPolarHBondContact O-CE1 3.47Å
8E62.4Low69.7Low122 Ų12269.7 Ų69.757%0.5742%0.422SS*.  trans-84.789.7175.5-71-177.215500111G5G5-E8 PolarHBondContact O-N 3.25Å
9Y68.8Low71.1Confident163 Ų16368.1 Ų68.164%0.63941%0.41SS*.  trans-77-31.5177.9-68.5-85.2000113G7 F33 Y35G7-Y9 WeakPolarHBondContact O-CD2 3.38Å; G7-Y9 PolarHBondContact O-N 3.43Å; Y9-F33 HydrophobicContact CD2-CE1 4.14Å; Y9-Y35 HydrophobicContact CD2-CE1 4.49Å
10F82.6Confident72.3Confident21 Ų2165.6 Ų65.69%0.09240%0.396CS..  trans-141.2120.3-174.4-56.6-69.5000111.4V16 V30 F33 L40 L61 V67F10-V16 HydrophobicContact CD1-CG1 4.06Å; F10-V16 HydrophobicContact CE1-CG1 4.41Å; F10-V30 HydrophobicContact CB-CG1 4.02Å; F10-V30 HydrophobicContact CB-CG2 4.31Å; F10-F33 HydrophobicContact CD2-CB 4.36Å; F10-F33 AromaticContact CD2-CD1 3.92Å; F10-F33 HydrophobicContact CD2-CD1 3.92Å; F10-F33 AromaticContact CD2-CD2 3.79Å; F10-F33 HydrophobicContact CD2-CD2 3.79Å; F10-F33 HydrophobicContact CD2-CE1 4.1Å; F10-F33 HydrophobicContact CD2-CE2 4.02Å; F10-F33 AromaticContact CD2-CG 3.76Å; F10-F33 HydrophobicContact CD2-CG 3.76Å; F10-F33 HydrophobicContact CD2-CZ 4.16Å; F10-F33 HydrophobicContact CE2-CD2 4.18Å; F10-F33 HydrophobicContact CE2-CE1 4.43Å; F10-F33 AromaticContact CE2-CE2 3.98Å; F10-F33 HydrophobicContact CE2-CE2 3.98Å; F10-F33 HydrophobicContact CE2-CZ 4.1Å; F10-L40 HydrophobicContact CB-CD1 4.36Å; F10-L40 HydrophobicContact CD1-CD1 4.48Å; F10-L40 HydrophobicContact CD2-CD1 3.98Å; F10-L40 HydrophobicContact CE1-CD2 4.35Å; F10-L40 HydrophobicContact CE2-CD1 4.47Å; F10-L40 HydrophobicContact CE2-CD2 4.44Å; F10-L40 HydrophobicContact CG-CD1 3.99Å; F10-L40 HydrophobicContact CZ-CD2 4.26Å; F10-L61 HydrophobicContact CE2-CD1 3.52Å; F10-L61 HydrophobicContact CZ-CD1 4Å; F10-V67 HydrophobicContact CE1-CG1 3.48Å; F10-V67 VanDerWaalsContact CE1-CG1 3.48Å; F10-V67 HydrophobicContact CZ-CB 4.48Å; F10-V67 HydrophobicContact CZ-CG1 3.8Å
11S87.9Confident73.4Confident51 Ų5166.2 Ų66.236%0.35740%0.402SS..  trans-78.3130.5169.5-50.60000109.9G13 S14S11-G13 PolarHBondContact O-N 3.2Å; S11-S14 WeakPolarHBondContact CB-OG 2.96Å; S11-S14 VanDerWaalsContact O-CB 3.28Å; S11-S14 WeakPolarHBondContact O-CB 3.21Å; S11-S14 PolarHBondContact O-N 2.96Å; S11-S14 VanDerWaalsContact O-N 3.14Å; S11-S14 PolarHBondContact O-OG 3.11Å
12V90Very high76.1Confident65 Ų6562.3 Ų62.339%0.39439%0.385SS..THydrogen-bonded Turntrans-61.7133.7174.6174.50000109.6S14 V31 L77V12-S14 VanDerWaalsContact C-N 3.34Å; V12-V31 WeakPolarHBondContact CG1-O 3.44Å; V12-L77 HydrophobicContact CB-CD1 3.74Å; V12-L77 HydrophobicContact CG1-CD1 3.54Å; V12-L77 HydrophobicContact CG1-CD2 4.38Å
13G90.8Very high78.9Confident4 Ų460 Ų604%0.04137%0.371CS..THydrogen-bonded Turntrans89.3-11-175.500000114.7S11 V30S11-G13 PolarHBondContact O-N 3.2Å; G13-V30 PolarHBondContact N-O 2.86Å
14S92.5Very high81.7Confident2 Ų261.5 Ų61.51%0.01436%0.363CS..  trans-69152171.6-64.50000110.7S11 V12 E29 V30 N71 D72 R73S11-S14 WeakPolarHBondContact CB-OG 2.96Å; S11-S14 VanDerWaalsContact O-CB 3.28Å; S11-S14 WeakPolarHBondContact O-CB 3.21Å; S11-S14 PolarHBondContact O-N 2.96Å; S11-S14 VanDerWaalsContact O-N 3.14Å; S11-S14 PolarHBondContact O-OG 3.11Å; V12-S14 VanDerWaalsContact C-N 3.34Å; S14-E29 CarbonylContact O-C 3.49Å; S14-E29 WeakPolarHBondContact O-CA 3.43Å; S14-V30 WeakPolarHBondContact O-CG2 3.45Å; S14-V30 PolarHBondContact O-N 2.86Å; S14-N71 CarbonylContact C-O 3.51Å; S14-N71 VanDerWaalsContact CA-O 3.3Å; S14-N71 WeakPolarHBondContact CA-O 3.02Å; S14-N71 VanDerWaalsContact CB-O 3.31Å; S14-N71 WeakPolarHBondContact CB-O 3.5Å; S14-D72 PolarHBondContact OG-OD1 3.2Å; S14-R73 PolarHBondContact OG-N 3.26Å
15H94.4Very high84Confident69 Ų6962.9 Ų62.932%0.31936%0.355SS..EExtended strand (participates in β ladder)trans-98.5130.9172.6-74.154.7000110G28 I70 N71H15-G28 WeakPolarHBondContact CA-O 3.31Å; H15-I70 HydrophobicContact CB-CB 4.41Å; H15-I70 PolarHBondContact O-N 3.49Å; H15-N71 HydrophobicContact CB-CB 4.17Å; H15-N71 PolarHBondContact N-O 3.36Å; H15-N71 PolarHBondContact O-N 2.49Å; H15-N71 VanDerWaalsContact O-N 3.16Å
16V95.3Very high86.3Confident1 Ų162.4 Ų62.41%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-129.7153.2-178-58.40000111.1F10 Q27 G28 V30 L40 L42 D68 I69F10-V16 HydrophobicContact CD1-CG1 4.06Å; F10-V16 HydrophobicContact CE1-CG1 4.41Å; V16-Q27 WeakPolarHBondContact O-CA 3.16Å; V16-G28 PolarHBondContact N-O 3.49Å; V16-G28 PolarHBondContact O-N 3.37Å; V16-V30 HydrophobicContact CB-CG2 4.41Å; V16-V30 HydrophobicContact CG1-CG2 3.71Å; V16-V30 HydrophobicContact CG2-CG2 3.77Å; V16-L40 HydrophobicContact CG2-CD2 4.13Å; V16-L42 HydrophobicContact CG2-CD1 4.03Å; V16-L42 HydrophobicContact CG2-CD2 3.49Å; V16-L42 VanDerWaalsContact CG2-CD2 3.49Å; V16-L42 HydrophobicContact CG2-CG 4.43Å; V16-D68 CarbonylContact C-O 3.6Å; V16-D68 WeakPolarHBondContact CA-O 3.49Å; V16-D68 WeakPolarHBondContact CB-O 3.19Å; V16-I69 HydrophobicContact CG1-CG1 4.27Å
17S95.5Very high88.9Confident4 Ų460.6 Ų60.63%0.02832%0.323CS..EExtended strand (participates in β ladder)trans-113127.8168.71670000108.6R25 L26 V67 D68S17-R25 WeakPolarHBondContact OG-CD 3.46Å; S17-R25 WeakPolarHBondContact OG-CG 3.37Å; S17-R25 PolarHBondContact OG-NH1 3.04Å; S17-L26 CarbonylContact C-O 3.58Å; S17-L26 WeakPolarHBondContact CA-O 3.46Å; S17-V67 WeakPolarHBondContact O-CA 3.1Å; S17-D68 PolarHBondContact N-O 2.83Å; S17-D68 PolarHBondContact O-N 3.18Å
18C95.4Very high90.8Very high0 Ų059 Ų590%031%0.307CS..EExtended strand (participates in β ladder)trans-113.2125.5174.1-63.70000109.3R25 L26 I59 V64 E66C18-R25 CarbonylContact O-C 3.51Å; C18-R25 WeakPolarHBondContact O-CA 3.36Å; C18-L26 PolarHBondContact N-O 2.79Å; C18-L26 PolarHBondContact O-N 3.4Å; C18-I59 HydrophobicContact CB-CD1 4.22Å; C18-V64 HydrophobicContact CB-CG1 4Å; C18-V64 HydrophobicContact CB-CG2 4.48Å; C18-E66 WeakPolarHBondContact CA-O 3.44Å
19L96.7Very high92.4Very high38 Ų3855 Ų5520%0.19929%0.288CS..EExtended strand (participates in β ladder)trans-94.4115.4167.3-173.864.6000108.6G23 R25 V64 S65 E66L19-G23 WeakPolarHBondContact CD1-O 3.44Å; L19-R25 HydrophobicContact CD1-CB 4.37Å; L19-V64 CarbonylContact O-C 3.58Å; L19-V64 WeakPolarHBondContact O-CA 3.28Å; L19-V64 VanDerWaalsContact O-CG1 3.31Å; L19-V64 WeakPolarHBondContact O-CG1 3.31Å; L19-S65 PolarHBondContact O-N 2.9Å; L19-S65 PolarHBondContact O-OG 2.81Å; L19-E66 HydrophobicContact CB-CB 3.95Å; L19-E66 HydrophobicContact CD2-CB 4.47Å; L19-E66 PolarHBondContact N-O 3.1Å; L19-E66 PolarHBondContact O-N 3.25Å
20T94.9Very high93.6Very high19 Ų1947.3 Ų47.312%0.11726%0.258CS..EExtended strand (participates in β ladder)trans-68.8159.7174.665.50000110.9L22 G23 Q24 L26 Y63 S65T20-L22 PolarHBondContact O-N 2.87Å; T20-L22 PolarHBondContact OG1-N 3.45Å; T20-G23 PolarHBondContact O-N 3.03Å; T20-Q24 HydrophobicContact CG2-CB 4.33Å; T20-Q24 WeakPolarHBondContact CG2-O 3.45Å; T20-Q24 PolarHBondContact N-O 3.45Å; T20-Q24 WeakPolarHBondContact OG1-CA 3.21Å; T20-Q24 WeakPolarHBondContact OG1-CB 3.37Å; T20-Q24 PolarHBondContact OG1-N 2.92Å; T20-Q24 PolarHBondContact OG1-O 2.92Å; T20-L26 HydrophobicContact CG2-CD1 4.01Å; T20-L26 HydrophobicContact CG2-CG 4.42Å; T20-Y63 CarbonylContact C-O 3.57Å; T20-Y63 WeakPolarHBondContact CA-O 3.48Å; T20-S65 PolarHBondContact O-OG 3.41Å
21C94.2Very high94.1Very high78 Ų7849.5 Ų49.553%0.52727%0.273SS..THydrogen-bonded Turntrans-62.4-10.5173.963.80000114.1Y63C21-Y63 PolarHBondContact N-O 3.14Å
22L95.3Very high94.3Very high158 Ų15849.1 Ų49.183%0.82727%0.273SS*.THydrogen-bonded Turntrans-96.46.2173.7-58.7-179.7000112.8T20 Q24T20-L22 PolarHBondContact O-N 2.87Å; T20-L22 PolarHBondContact OG1-N 3.45Å; L22-Q24 VanDerWaalsContact C-N 3.28Å; L22-Q24 PolarHBondContact O-N 3.03Å
23G93.9Very high94.4Very high54 Ų5447.4 Ų47.456%0.55726%0.26SS*.SBendtrans79.82.7-179.900000114.8L19 T20L19-G23 WeakPolarHBondContact CD1-O 3.44Å; T20-G23 PolarHBondContact O-N 3.03Å
24Q95.2Very high94.5Very high119 Ų11950.7 Ų50.756%0.55628%0.277SS*.  trans-74.9128.2172.7-175.6-176.721.900110T20 L22 L26T20-Q24 HydrophobicContact CG2-CB 4.33Å; T20-Q24 WeakPolarHBondContact CG2-O 3.45Å; T20-Q24 PolarHBondContact N-O 3.45Å; T20-Q24 WeakPolarHBondContact OG1-CA 3.21Å; T20-Q24 WeakPolarHBondContact OG1-CB 3.37Å; T20-Q24 PolarHBondContact OG1-N 2.92Å; T20-Q24 PolarHBondContact OG1-O 2.92Å; L22-Q24 VanDerWaalsContact C-N 3.28Å; L22-Q24 PolarHBondContact O-N 3.03Å; Q24-L26 HydrophobicContact CG-CD2 4.14Å; Q24-L26 HydrophobicContact CG-CG 4.49Å
25R95.4Very high94.3Very high129 Ų12956.4 Ų56.449%0.48730%0.299SS..EExtended strand (participates in β ladder)trans-95.2127.4174-169.2166-74.9-106.5-2110.5S17 C18 L19 E66 D68S17-R25 WeakPolarHBondContact OG-CD 3.46Å; S17-R25 WeakPolarHBondContact OG-CG 3.37Å; S17-R25 PolarHBondContact OG-NH1 3.04Å; C18-R25 CarbonylContact O-C 3.51Å; C18-R25 WeakPolarHBondContact O-CA 3.36Å; L19-R25 HydrophobicContact CD1-CB 4.37Å; R25-E66 IonicContact NH2-OE2 3.88Å; R25-E66 PolarHBondContact NH2-OE2 2.64Å; R25-D68 IonicContact NH1-OD2 3.49Å; R25-D68 PolarHBondContact NH1-OD2 2.85Å
26L94.9Very high93.9Very high28 Ų2861.9 Ų61.915%0.14732%0.324CS..EExtended strand (participates in β ladder)trans-118.8130.6178.7-60.1175.4000108.8S17 C18 T20 Q24 I57 I59S17-L26 CarbonylContact C-O 3.58Å; S17-L26 WeakPolarHBondContact CA-O 3.46Å; C18-L26 PolarHBondContact N-O 2.79Å; C18-L26 PolarHBondContact O-N 3.4Å; T20-L26 HydrophobicContact CG2-CD1 4.01Å; T20-L26 HydrophobicContact CG2-CG 4.42Å; Q24-L26 HydrophobicContact CG-CD2 4.14Å; Q24-L26 HydrophobicContact CG-CG 4.49Å; L26-I57 HydrophobicContact CD1-CG2 4.49Å; L26-I57 HydrophobicContact CD2-CD1 4.48Å; L26-I59 HydrophobicContact CB-CD1 4.1Å; L26-I59 HydrophobicContact CD1-CD1 3.77Å; L26-I59 HydrophobicContact CD1-CG1 4.1Å
27Q95.3Very high93.7Very high110 Ų11064.6 Ų64.651%0.51434%0.343SS..EExtended strand (participates in β ladder)trans-132.2137.5-177.7179176.3-12.600110.6V16 C44 I70V16-Q27 WeakPolarHBondContact O-CA 3.16Å; Q27-C44 PolarHBondContact O-SG 3.02Å; Q27-I70 HydrophobicContact CG-CD1 3.55Å
28G95.6Very high93.5Very high5 Ų570.5 Ų70.55%0.05237%0.369CS..EExtended strand (participates in β ladder)trans-176.6177.2177.800000113.7H15 V16 K43H15-G28 WeakPolarHBondContact CA-O 3.31Å; V16-G28 PolarHBondContact N-O 3.49Å; V16-G28 PolarHBondContact O-N 3.37Å; G28-K43 CarbonylContact C-O 3.6Å; G28-K43 VanDerWaalsContact CA-O 3.28Å; G28-K43 WeakPolarHBondContact CA-O 3.49Å
29E95Very high93.5Very high38 Ų3872.8 Ų72.818%0.17838%0.38CS..EExtended strand (participates in β ladder)trans-80.3129.8173.9-172.4-174.215700109.6S14 V31 L42 K43 R73S14-E29 CarbonylContact O-C 3.49Å; S14-E29 WeakPolarHBondContact O-CA 3.43Å; E29-V31 PolarHBondContact O-N 2.82Å; E29-L42 CarbonylContact O-C 3.54Å; E29-L42 WeakPolarHBondContact O-CA 3.33Å; E29-K43 HydrophobicContact CB-CB 4.43Å; E29-K43 PolarHBondContact N-O 3.47Å; E29-K43 PolarHBondContact O-N 3.41Å; E29-K43 IonicContact OE1-NZ 3.08Å; E29-K43 WeakPolarHBondContact OE2-CE 3.44Å; E29-K43 IonicContact OE2-NZ 3.09Å; E29-K43 PolarHBondContact OE2-NZ 2.83Å; E29-R73 IonicContact OE1-NH1 3.89Å
30V94.4Very high93.4Very high0 Ų071 Ų710%037%0.37CS..EExtended strand (participates in β ladder)trans-65.7117.9175.4178.70000109.3F10 G13 S14 V16 L40 L42F10-V30 HydrophobicContact CB-CG1 4.02Å; F10-V30 HydrophobicContact CB-CG2 4.31Å; G13-V30 PolarHBondContact N-O 2.86Å; S14-V30 WeakPolarHBondContact O-CG2 3.45Å; S14-V30 PolarHBondContact O-N 2.86Å; V16-V30 HydrophobicContact CB-CG2 4.41Å; V16-V30 HydrophobicContact CG1-CG2 3.71Å; V16-V30 HydrophobicContact CG2-CG2 3.77Å; V30-L40 HydrophobicContact CG1-CD1 3.9Å; V30-L40 HydrophobicContact CG2-CD1 4.17Å; V30-L42 HydrophobicContact CG2-CD2 4.04Å
31V93.4Very high93.5Very high67 Ų6771.2 Ų71.241%0.40637%0.372SS..EExtended strand (participates in β ladder)trans-95.5-41.2175.9179.60000111V12 E29 T41 K43V12-V31 WeakPolarHBondContact CG1-O 3.44Å; E29-V31 PolarHBondContact O-N 2.82Å; V31-T41 HydrophobicContact CB-CG2 4.16Å; V31-T41 PolarHBondContact N-O 3.45Å; V31-K43 HydrophobicContact CG2-CB 3.54Å
32A92.7Very high93.6Very high44 Ų4467.5 Ų67.536%0.36435%0.347SS..EExtended strand (participates in β ladder)trans-158.8154.7-178.400000109.9T41A32-T41 PolarHBondContact O-N 3.39Å
33F92.7Very high93.6Very high29 Ų2963.4 Ų63.413%0.12732%0.322CS..EExtended strand (participates in β ladder)trans-136121.7170.7-179.9-123.5000109.1Y9 F10 Y35 M39 L40 L61Y9-F33 HydrophobicContact CD2-CE1 4.14Å; F10-F33 HydrophobicContact CD2-CB 4.36Å; F10-F33 AromaticContact CD2-CD1 3.92Å; F10-F33 HydrophobicContact CD2-CD1 3.92Å; F10-F33 AromaticContact CD2-CD2 3.79Å; F10-F33 HydrophobicContact CD2-CD2 3.79Å; F10-F33 HydrophobicContact CD2-CE1 4.1Å; F10-F33 HydrophobicContact CD2-CE2 4.02Å; F10-F33 AromaticContact CD2-CG 3.76Å; F10-F33 HydrophobicContact CD2-CG 3.76Å; F10-F33 HydrophobicContact CD2-CZ 4.16Å; F10-F33 HydrophobicContact CE2-CD2 4.18Å; F10-F33 HydrophobicContact CE2-CE1 4.43Å; F10-F33 AromaticContact CE2-CE2 3.98Å; F10-F33 HydrophobicContact CE2-CE2 3.98Å; F10-F33 HydrophobicContact CE2-CZ 4.1Å; F33-Y35 AromaticContact CD1-CD1 3.57Å; F33-Y35 HydrophobicContact CD1-CD1 3.57Å; F33-Y35 HydrophobicContact CD1-CD2 4.49Å; F33-Y35 AromaticContact CD1-CE1 3.37Å; F33-Y35 HydrophobicContact CD1-CE1 3.37Å; F33-Y35 HydrophobicContact CD1-CE2 4.38Å; F33-Y35 HydrophobicContact CD1-CG 4.12Å; F33-Y35 AromaticContact CD1-CZ 3.84Å; F33-Y35 AromaticContact CE1-CD1 3.33Å; F33-Y35 HydrophobicContact CE1-CD1 3.33Å; F33-Y35 AromaticContact CE1-CE1 3.47Å; F33-Y35 HydrophobicContact CE1-CE1 3.47Å; F33-Y35 VanDerWaalsContact CE1-CE1 3.47Å; F33-Y35 HydrophobicContact CE1-CG 4.1Å; F33-Y35 HydrophobicContact CZ-CD1 4.47Å; F33-M39 WeakPolarHBondContact CA-O 3.3Å; F33-M39 WeakPolarHBondContact CD2-O 3.37Å; F33-L40 HydrophobicContact CB-CD1 4.4Å; F33-L40 HydrophobicContact CD2-CB 4.13Å; F33-L40 HydrophobicContact CD2-CD1 4.24Å; F33-L61 HydrophobicContact CD2-CD1 4.4Å; F33-L61 HydrophobicContact CE2-CD1 3.44Å; F33-L61 VanDerWaalsContact CE2-CD1 3.44Å; F33-L61 HydrophobicContact CE2-CG 4.39Å; F33-L61 HydrophobicContact CZ-CD1 3.92Å
34D91.7Very high93.6Very high72 Ų7261.6 Ų61.639%0.38530%0.301SS..EExtended strand (participates in β ladder)trans-90.9112.1170.2178.252.8000109.9Q36 S37 K38 M39D34-Q36 VanDerWaalsContact C-N 3.34Å; D34-Q36 PolarHBondContact O-N 3.35Å; D34-S37 WeakPolarHBondContact OD2-CB 3.46Å; D34-S37 PolarHBondContact OD2-N 3.14Å; D34-S37 PolarHBondContact OD2-OG 2.78Å; D34-K38 WeakPolarHBondContact O-CA 3.45Å; D34-K38 PolarHBondContact O-N 2.81Å; D34-M39 HydrophobicContact CB-CB 4.38Å; D34-M39 PolarHBondContact N-O 3.42Å; D34-M39 PolarHBondContact O-N 3.4Å
35Y87.5Confident93.4Very high122 Ų12259.9 Ų59.948%0.47831%0.308SS..THydrogen-bonded Turntrans-64.7-36.5-176.6-68.1-76.9000113G7 Y9 F33G7-Y35 WeakPolarHBondContact O-CE1 3.47Å; Y9-Y35 HydrophobicContact CD2-CE1 4.49Å; F33-Y35 AromaticContact CD1-CD1 3.57Å; F33-Y35 HydrophobicContact CD1-CD1 3.57Å; F33-Y35 HydrophobicContact CD1-CD2 4.49Å; F33-Y35 AromaticContact CD1-CE1 3.37Å; F33-Y35 HydrophobicContact CD1-CE1 3.37Å; F33-Y35 HydrophobicContact CD1-CE2 4.38Å; F33-Y35 HydrophobicContact CD1-CG 4.12Å; F33-Y35 AromaticContact CD1-CZ 3.84Å; F33-Y35 AromaticContact CE1-CD1 3.33Å; F33-Y35 HydrophobicContact CE1-CD1 3.33Å; F33-Y35 AromaticContact CE1-CE1 3.47Å; F33-Y35 HydrophobicContact CE1-CE1 3.47Å; F33-Y35 VanDerWaalsContact CE1-CE1 3.47Å; F33-Y35 HydrophobicContact CE1-CG 4.1Å; F33-Y35 HydrophobicContact CZ-CD1 4.47Å
36Q88Confident93.3Very high184 Ų18455.5 Ų55.586%0.8630%0.295SS*.THydrogen-bonded Turntrans-71.9-49.2-173.7-173.9176.43.800111.6D34D34-Q36 VanDerWaalsContact C-N 3.34Å; D34-Q36 PolarHBondContact O-N 3.35Å
37S90.4Very high93.1Very high58 Ų5859.1 Ų59.141%0.40632%0.323SS..THydrogen-bonded Turntrans-88.2-4.1178.866.60000113.6D34 M39D34-S37 WeakPolarHBondContact OD2-CB 3.46Å; D34-S37 PolarHBondContact OD2-N 3.14Å; D34-S37 PolarHBondContact OD2-OG 2.78Å; S37-M39 PolarHBondContact O-N 2.9Å; S37-M39 WeakPolarHBondContact OG-CB 3.21Å; S37-M39 WeakPolarHBondContact OG-CG 3.46Å
38K91.8Very high92.9Very high129 Ų12956.9 Ų56.956%0.56132%0.32SS*.THydrogen-bonded Turntrans53.143.1-174.8-57-177.3178.7-1780111.8D34 L61D34-K38 WeakPolarHBondContact O-CA 3.45Å; D34-K38 PolarHBondContact O-N 2.81Å; K38-L61 HydrophobicContact CB-CB 4.27Å; K38-L61 WeakPolarHBondContact O-CB 3.28Å; K38-L61 WeakPolarHBondContact O-CG 3.31Å; K38-L61 PolarHBondContact O-N 3.43Å
39M94.9Very high92.6Very high47 Ų4759.7 Ų59.723%0.23235%0.349CS..EExtended strand (participates in β ladder)trans-98.5116.4179.4-67.9-65.6-5800109.9F33 D34 S37 L58 I59 N60F33-M39 WeakPolarHBondContact CA-O 3.3Å; F33-M39 WeakPolarHBondContact CD2-O 3.37Å; D34-M39 HydrophobicContact CB-CB 4.38Å; D34-M39 PolarHBondContact N-O 3.42Å; D34-M39 PolarHBondContact O-N 3.4Å; S37-M39 PolarHBondContact O-N 2.9Å; S37-M39 WeakPolarHBondContact OG-CB 3.21Å; S37-M39 WeakPolarHBondContact OG-CG 3.46Å; M39-L58 HydrophobicContact CE-CB 3.91Å; M39-I59 CarbonylContact C-O 3.51Å; M39-I59 WeakPolarHBondContact CA-O 3.42Å; M39-N60 HydrophobicContact CE-CB 4.26Å; M39-N60 WeakPolarHBondContact SD-CA 3.39Å; M39-N60 HydrophobicContact SD-CB 3.46Å; M39-N60 WeakPolarHBondContact SD-CB 3.35Å
40L95.2Very high92.4Very high0 Ų064.2 Ų64.20%037%0.368CS..EExtended strand (participates in β ladder)trans-97.7126.1176.9178.562.5000110F10 V16 V30 F33 L42 I59 L61F10-L40 HydrophobicContact CB-CD1 4.36Å; F10-L40 HydrophobicContact CD1-CD1 4.48Å; F10-L40 HydrophobicContact CD2-CD1 3.98Å; F10-L40 HydrophobicContact CE1-CD2 4.35Å; F10-L40 HydrophobicContact CE2-CD1 4.47Å; F10-L40 HydrophobicContact CE2-CD2 4.44Å; F10-L40 HydrophobicContact CG-CD1 3.99Å; F10-L40 HydrophobicContact CZ-CD2 4.26Å; V16-L40 HydrophobicContact CG2-CD2 4.13Å; V30-L40 HydrophobicContact CG1-CD1 3.9Å; V30-L40 HydrophobicContact CG2-CD1 4.17Å; F33-L40 HydrophobicContact CB-CD1 4.4Å; F33-L40 HydrophobicContact CD2-CB 4.13Å; F33-L40 HydrophobicContact CD2-CD1 4.24Å; L40-L42 HydrophobicContact CD1-CD2 4.1Å; L40-L42 HydrophobicContact CD2-CD2 3.93Å; L40-L42 HydrophobicContact CD2-CG 4.38Å; L40-L42 HydrophobicContact CG-CD2 3.78Å; L40-L42 HydrophobicContact CG-CG 4.24Å; L40-I59 HydrophobicContact CB-CB 4.4Å; L40-I59 PolarHBondContact N-O 2.79Å; L40-I59 PolarHBondContact O-N 2.79Å; L40-L61 HydrophobicContact CB-CD1 4.46Å; L40-L61 HydrophobicContact CB-CD2 3.99Å; L40-L61 HydrophobicContact CB-CG 4.22Å; L40-L61 HydrophobicContact CD2-CD2 4.05Å
41T97Very high92.1Very high25 Ų2569.8 Ų69.815%0.15340%0.404CS..EExtended strand (participates in β ladder)trans-103.9118.9176.5-55.90000109.6V31 A32 V56 I57 L58V31-T41 HydrophobicContact CB-CG2 4.16Å; V31-T41 PolarHBondContact N-O 3.45Å; A32-T41 PolarHBondContact O-N 3.39Å; T41-V56 HydrophobicContact CG2-CG1 3.61Å; T41-I57 CarbonylContact C-O 3.57Å; T41-I57 WeakPolarHBondContact CA-O 3.34Å; T41-L58 HydrophobicContact CG2-CD1 4.22Å
42L96.3Very high91.9Very high0 Ų073.9 Ų73.90%042%0.424CS..EExtended strand (participates in β ladder)trans-108.6138.8177.8-59.2-169.9000111.2V16 E29 V30 L40 V56 I57 I59V16-L42 HydrophobicContact CG2-CD1 4.03Å; V16-L42 HydrophobicContact CG2-CD2 3.49Å; V16-L42 VanDerWaalsContact CG2-CD2 3.49Å; V16-L42 HydrophobicContact CG2-CG 4.43Å; E29-L42 CarbonylContact O-C 3.54Å; E29-L42 WeakPolarHBondContact O-CA 3.33Å; V30-L42 HydrophobicContact CG2-CD2 4.04Å; L40-L42 HydrophobicContact CD1-CD2 4.1Å; L40-L42 HydrophobicContact CD2-CD2 3.93Å; L40-L42 HydrophobicContact CD2-CG 4.38Å; L40-L42 HydrophobicContact CG-CD2 3.78Å; L40-L42 HydrophobicContact CG-CG 4.24Å; L42-V56 WeakPolarHBondContact O-CA 3.35Å; L42-I57 PolarHBondContact N-O 3.25Å; L42-I57 PolarHBondContact O-N 3.16Å; L42-I59 HydrophobicContact CD1-CD1 3.49Å; L42-I59 VanDerWaalsContact CD1-CD1 3.49Å; L42-I59 HydrophobicContact CG-CD1 3.88Å
43K95.4Very high91.9Very high71 Ų7175.9 Ų75.931%0.30943%0.428SS..EExtended strand (participates in β ladder)trans-95.3119.9163.8-175.3-173.373.8-169.30108.4G28 E29 V31 N54 D55G28-K43 CarbonylContact C-O 3.6Å; G28-K43 VanDerWaalsContact CA-O 3.28Å; G28-K43 WeakPolarHBondContact CA-O 3.49Å; E29-K43 HydrophobicContact CB-CB 4.43Å; E29-K43 PolarHBondContact N-O 3.47Å; E29-K43 PolarHBondContact O-N 3.41Å; E29-K43 IonicContact OE1-NZ 3.08Å; E29-K43 WeakPolarHBondContact OE2-CE 3.44Å; E29-K43 IonicContact OE2-NZ 3.09Å; E29-K43 PolarHBondContact OE2-NZ 2.83Å; V31-K43 HydrophobicContact CG2-CB 3.54Å; K43-N54 HydrophobicContact CD-CB 4.11Å; K43-N54 HydrophobicContact CG-CB 3.62Å; K43-D55 WeakPolarHBondContact CA-O 3.4Å
44C94Very high92Very high17 Ų1778.7 Ų78.712%0.11544%0.444CS..EExtended strand (participates in β ladder)trans-115.1162.8-177.4-59.10000110.4Q27 D55 I57Q27-C44 PolarHBondContact O-SG 3.02Å; C44-D55 HydrophobicContact CB-CB 4.2Å; C44-D55 PolarHBondContact N-O 2.85Å; C44-D55 PolarHBondContact O-N 2.84Å; C44-D55 VanDerWaalsContact O-N 3.08Å; C44-I57 HydrophobicContact CB-CD1 4.29Å; C44-I57 VanDerWaalsContact SG-CD1 3.57Å
45A90.9Very high92.2Very high83 Ų8377.4 Ų77.469%0.68644%0.437SS*.  trans-57.5144.5171.400000110.7S47A45-S47 PolarHBondContact O-N 3.03Å
46P92.6Very high92.6Very high36 Ų3676.1 Ų76.123%0.23444%0.442CS..  trans-68.8121.6-17526.3-33.9000112.2S48 G49 K50 L53P46-S48 PolarHBondContact O-N 2.83Å; P46-G49 PolarHBondContact O-N 3.03Å; P46-K50 WeakPolarHBondContact CG-O 3.39Å; P46-L53 HydrophobicContact CB-CB 4.4Å; P46-L53 WeakPolarHBondContact CB-O 3.46Å; P46-L53 VanDerWaalsContact CG-O 3.31Å; P46-L53 WeakPolarHBondContact CG-O 3.39Å
47S90.1Very high92.9Very high104 Ų10469.9 Ų69.973%0.72741%0.414SS*.THydrogen-bonded Turntrans-64.9-23.5170.153.80000112.8A45 G49 D55A45-S47 PolarHBondContact O-N 3.03Å; S47-G49 VanDerWaalsContact C-N 3.25Å; S47-G49 PolarHBondContact O-N 2.9Å; S47-D55 WeakPolarHBondContact CB-OD2 3.44Å; S47-D55 PolarHBondContact N-OD1 2.85Å; S47-D55 PolarHBondContact N-OD2 3.03Å; S47-D55 PolarHBondContact OG-OD1 2.83Å; S47-D55 PolarHBondContact OG-OD2 3.18Å
48S91.1Very high93.2Very high64 Ų6472.6 Ų72.645%0.44842%0.423SS..THydrogen-bonded Turntrans-74.2-8.3178.768.40000115P46 K50P46-S48 PolarHBondContact O-N 2.83Å; S48-K50 PolarHBondContact O-N 2.83Å; S48-K50 PolarHBondContact OG-N 3.31Å
49G89.3Confident93.4Very high64 Ų6466.9 Ų66.966%0.6640%0.399SS*.  trans70.80.2-174.800000115.1P46 S47P46-G49 PolarHBondContact O-N 3.03Å; S47-G49 VanDerWaalsContact C-N 3.25Å; S47-G49 PolarHBondContact O-N 2.9Å
50K91.3Very high93.4Very high133 Ų13367.3 Ų67.358%0.57840%0.402SS*.  trans-82.4117.3177.8-66.7179.1-178174.10109.9P46 S48 N52 L53P46-K50 WeakPolarHBondContact CG-O 3.39Å; S48-K50 PolarHBondContact O-N 2.83Å; S48-K50 PolarHBondContact OG-N 3.31Å; K50-N52 PolarHBondContact O-N 2.76Å; K50-N52 VanDerWaalsContact O-N 3.15Å; K50-L53 HydrophobicContact CB-CB 4.38Å; K50-L53 HydrophobicContact CB-CD1 3.96Å; K50-L53 HydrophobicContact CB-CG 4.07Å; K50-L53 HydrophobicContact CD-CD1 3.73Å; K50-L53 HydrophobicContact CG-CD1 4.45Å; K50-L53 PolarHBondContact O-N 2.78Å; K50-L53 VanDerWaalsContact O-N 3.14Å
51P87.6Confident93.3Very high117 Ų11768.9 Ų68.976%0.7641%0.41SS*.THydrogen-bonded Turntrans-67.6-21.1-170.226.2-35.5000114.3L53P51-L53 VanDerWaalsContact C-N 3.33Å
52N89.8Confident93.2Very high152 Ų15271.3 Ų71.381%0.81343%0.433SS*.THydrogen-bonded Turntrans-91.65.6-179.4-62.5-28.5000113.3K50K50-N52 PolarHBondContact O-N 2.76Å; K50-N52 VanDerWaalsContact O-N 3.15Å
53L93.4Very high93.2Very high87 Ų8778.5 Ų78.546%0.45546%0.461SS..  trans-114.1161.4177-60.5-176.1000109.7P46 K50 P51P46-L53 HydrophobicContact CB-CB 4.4Å; P46-L53 WeakPolarHBondContact CB-O 3.46Å; P46-L53 VanDerWaalsContact CG-O 3.31Å; P46-L53 WeakPolarHBondContact CG-O 3.39Å; K50-L53 HydrophobicContact CB-CB 4.38Å; K50-L53 HydrophobicContact CB-CD1 3.96Å; K50-L53 HydrophobicContact CB-CG 4.07Å; K50-L53 HydrophobicContact CD-CD1 3.73Å; K50-L53 HydrophobicContact CG-CD1 4.45Å; K50-L53 PolarHBondContact O-N 2.78Å; K50-L53 VanDerWaalsContact O-N 3.14Å; P51-L53 VanDerWaalsContact C-N 3.33Å
54N93.7Very high93.2Very high87 Ų8776.2 Ų76.247%0.46545%0.453SS..  trans-135.9150.6171.6-61.3-88.6000108.1K43K43-N54 HydrophobicContact CD-CB 4.11Å; K43-N54 HydrophobicContact CG-CB 3.62Å
55D95.3Very high93.2Very high46 Ų4679.1 Ų79.125%0.24647%0.474CS..EExtended strand (participates in β ladder)trans-84.6132.8168.9-69.60.7000107.9K43 C44 S47K43-D55 WeakPolarHBondContact CA-O 3.4Å; C44-D55 HydrophobicContact CB-CB 4.2Å; C44-D55 PolarHBondContact N-O 2.85Å; C44-D55 PolarHBondContact O-N 2.84Å; C44-D55 VanDerWaalsContact O-N 3.08Å; S47-D55 WeakPolarHBondContact CB-OD2 3.44Å; S47-D55 PolarHBondContact N-OD1 2.85Å; S47-D55 PolarHBondContact N-OD2 3.03Å; S47-D55 PolarHBondContact OG-OD1 2.83Å; S47-D55 PolarHBondContact OG-OD2 3.18Å
56V96.4Very high93.4Very high95 Ų9579.3 Ų79.358%0.57646%0.46SS*.EExtended strand (participates in β ladder)trans-114116.7176.6-179.60000107.8T41 L42 L58T41-V56 HydrophobicContact CG2-CG1 3.61Å; L42-V56 WeakPolarHBondContact O-CA 3.35Å; V56-L58 HydrophobicContact CG1-CD1 4.35Å
57I95.3Very high93.4Very high52 Ų5280.2 Ų80.227%0.26747%0.465SS..EExtended strand (participates in β ladder)trans-113.4129.7-174.2-51.1-178.4000108.7L26 T41 L42 C44 I59L26-I57 HydrophobicContact CD1-CG2 4.49Å; L26-I57 HydrophobicContact CD2-CD1 4.48Å; T41-I57 CarbonylContact C-O 3.57Å; T41-I57 WeakPolarHBondContact CA-O 3.34Å; L42-I57 PolarHBondContact N-O 3.25Å; L42-I57 PolarHBondContact O-N 3.16Å; C44-I57 HydrophobicContact CB-CD1 4.29Å; C44-I57 VanDerWaalsContact SG-CD1 3.57Å; I57-I59 HydrophobicContact CG2-CD1 4.48Å; I57-I59 HydrophobicContact CG2-CG1 3.87Å
58L96.3Very high93.5Very high115 Ų11578.1 Ų78.160%0.60245%0.445SS*.EExtended strand (participates in β ladder)trans-100.6118.6171.6-79.673.2000108.5M39 T41 V56M39-L58 HydrophobicContact CE-CB 3.91Å; T41-L58 HydrophobicContact CG2-CD1 4.22Å; V56-L58 HydrophobicContact CG1-CD1 4.35Å
59I95.4Very high93.6Very high10 Ų1079.4 Ų79.45%0.05145%0.446CS..EExtended strand (participates in β ladder)trans-111.9119.8-175.1-55178.2000108.6C18 L26 M39 L40 L42 I57 L61 V64C18-I59 HydrophobicContact CB-CD1 4.22Å; L26-I59 HydrophobicContact CB-CD1 4.1Å; L26-I59 HydrophobicContact CD1-CD1 3.77Å; L26-I59 HydrophobicContact CD1-CG1 4.1Å; M39-I59 CarbonylContact C-O 3.51Å; M39-I59 WeakPolarHBondContact CA-O 3.42Å; L40-I59 HydrophobicContact CB-CB 4.4Å; L40-I59 PolarHBondContact N-O 2.79Å; L40-I59 PolarHBondContact O-N 2.79Å; L42-I59 HydrophobicContact CD1-CD1 3.49Å; L42-I59 VanDerWaalsContact CD1-CD1 3.49Å; L42-I59 HydrophobicContact CG-CD1 3.88Å; I57-I59 HydrophobicContact CG2-CD1 4.48Å; I57-I59 HydrophobicContact CG2-CG1 3.87Å; I59-L61 HydrophobicContact CG2-CD2 4.34Å; I59-L61 PolarHBondContact O-N 3.5Å; I59-V64 HydrophobicContact CG2-CG2 3.39Å
60N95.3Very high93.8Very high56 Ų5680.4 Ų80.430%0.29944%0.436SS..EExtended strand (participates in β ladder)trans-80.8113.1168.1-177.1-16.7000108.9M39 A62 Y63M39-N60 HydrophobicContact CE-CB 4.26Å; M39-N60 WeakPolarHBondContact SD-CA 3.39Å; M39-N60 HydrophobicContact SD-CB 3.46Å; M39-N60 WeakPolarHBondContact SD-CB 3.35Å; N60-A62 PolarHBondContact O-N 3.43Å; N60-A62 VanDerWaalsContact O-N 3.11Å; N60-A62 WeakPolarHBondContact OD1-CB 3.39Å; N60-A62 PolarHBondContact OD1-N 2.88Å; N60-Y63 HydrophobicContact CB-CD2 3.98Å; N60-Y63 HydrophobicContact CB-CE2 4.45Å; N60-Y63 PolarHBondContact O-N 2.79Å
61L94Very high93.7Very high32 Ų3278.7 Ų78.717%0.16843%0.433CS..G310 helixtrans-66.2-13.6-176.4-63.1-178.3000113.7F10 F33 K38 L40 I59 Y63 V64 V67F10-L61 HydrophobicContact CE2-CD1 3.52Å; F10-L61 HydrophobicContact CZ-CD1 4Å; F33-L61 HydrophobicContact CD2-CD1 4.4Å; F33-L61 HydrophobicContact CE2-CD1 3.44Å; F33-L61 VanDerWaalsContact CE2-CD1 3.44Å; F33-L61 HydrophobicContact CE2-CG 4.39Å; F33-L61 HydrophobicContact CZ-CD1 3.92Å; K38-L61 HydrophobicContact CB-CB 4.27Å; K38-L61 WeakPolarHBondContact O-CB 3.28Å; K38-L61 WeakPolarHBondContact O-CG 3.31Å; K38-L61 PolarHBondContact O-N 3.43Å; L40-L61 HydrophobicContact CB-CD1 4.46Å; L40-L61 HydrophobicContact CB-CD2 3.99Å; L40-L61 HydrophobicContact CB-CG 4.22Å; L40-L61 HydrophobicContact CD2-CD2 4.05Å; I59-L61 HydrophobicContact CG2-CD2 4.34Å; I59-L61 PolarHBondContact O-N 3.5Å; L61-Y63 PolarHBondContact O-N 3.46Å; L61-V64 HydrophobicContact CD2-CB 4.27Å; L61-V64 HydrophobicContact CD2-CG2 4Å; L61-V64 PolarHBondContact O-N 3.1Å; L61-V67 HydrophobicContact CD2-CG2 4.24Å
62A93.9Very high93.7Very high76 Ų7677 Ų7763%0.62842%0.417SS*.G310 helixtrans-62.7-22.5170.700000113.1N60N60-A62 PolarHBondContact O-N 3.43Å; N60-A62 VanDerWaalsContact O-N 3.11Å; N60-A62 WeakPolarHBondContact OD1-CB 3.39Å; N60-A62 PolarHBondContact OD1-N 2.88Å
63Y95.3Very high93.2Very high152 Ų15273.1 Ų73.160%0.59639%0.391SS*.G310 helixtrans-107.321.2178-56.2-63.2000112.6T20 C21 N60 L61T20-Y63 CarbonylContact C-O 3.57Å; T20-Y63 WeakPolarHBondContact CA-O 3.48Å; C21-Y63 PolarHBondContact N-O 3.14Å; N60-Y63 HydrophobicContact CB-CD2 3.98Å; N60-Y63 HydrophobicContact CB-CE2 4.45Å; N60-Y63 PolarHBondContact O-N 2.79Å; L61-Y63 PolarHBondContact O-N 3.46Å
64V95.7Very high92.5Very high23 Ų2375.3 Ų75.314%0.13941%0.408CS..EExtended strand (participates in β ladder)trans-114.1122.8178.1178.70000108.2C18 L19 I59 L61 E66 V67C18-V64 HydrophobicContact CB-CG1 4Å; C18-V64 HydrophobicContact CB-CG2 4.48Å; L19-V64 CarbonylContact O-C 3.58Å; L19-V64 WeakPolarHBondContact O-CA 3.28Å; L19-V64 VanDerWaalsContact O-CG1 3.31Å; L19-V64 WeakPolarHBondContact O-CG1 3.31Å; I59-V64 HydrophobicContact CG2-CG2 3.39Å; L61-V64 HydrophobicContact CD2-CB 4.27Å; L61-V64 HydrophobicContact CD2-CG2 4Å; L61-V64 PolarHBondContact O-N 3.1Å; V64-E66 WeakPolarHBondContact CG1-O 3.47Å; V64-V67 HydrophobicContact CG1-CG2 3.44Å; V64-V67 VanDerWaalsContact CG1-CG2 3.44Å
65S95.3Very high91.8Very high78 Ų7878 Ų7855%0.54542%0.418SS..EExtended strand (participates in β ladder)trans-83.1-29.9179.654.20000112.4L19 T20L19-S65 PolarHBondContact O-N 2.9Å; L19-S65 PolarHBondContact O-OG 2.81Å; T20-S65 PolarHBondContact O-OG 3.41Å
66E94.3Very high91Very high87 Ų8782.3 Ų82.341%0.40745%0.446SS..EExtended strand (participates in β ladder)trans-148.6141.3-176.8-174.1-179.9-152.800110.5C18 L19 R25 V64C18-E66 WeakPolarHBondContact CA-O 3.44Å; L19-E66 HydrophobicContact CB-CB 3.95Å; L19-E66 HydrophobicContact CD2-CB 4.47Å; L19-E66 PolarHBondContact N-O 3.1Å; L19-E66 PolarHBondContact O-N 3.25Å; R25-E66 IonicContact NH2-OE2 3.88Å; R25-E66 PolarHBondContact NH2-OE2 2.64Å; V64-E66 WeakPolarHBondContact CG1-O 3.47Å
67V92.6Very high90.1Very high54 Ų5481.5 Ų81.533%0.32744%0.439SS..EExtended strand (participates in β ladder)trans-133.7124.6172.9-171.70000110F10 S17 L61 V64F10-V67 HydrophobicContact CE1-CG1 3.48Å; F10-V67 VanDerWaalsContact CE1-CG1 3.48Å; F10-V67 HydrophobicContact CZ-CB 4.48Å; F10-V67 HydrophobicContact CZ-CG1 3.8Å; S17-V67 WeakPolarHBondContact O-CA 3.1Å; L61-V67 HydrophobicContact CD2-CG2 4.24Å; V64-V67 HydrophobicContact CG1-CG2 3.44Å; V64-V67 VanDerWaalsContact CG1-CG2 3.44Å
68D93Very high89.4Confident60 Ų6083.4 Ų83.432%0.32145%0.454SS..EExtended strand (participates in β ladder)trans-116134.8178.5-56.7-54.7000110.4V16 S17 R25V16-D68 CarbonylContact C-O 3.6Å; V16-D68 WeakPolarHBondContact CA-O 3.49Å; V16-D68 WeakPolarHBondContact CB-O 3.19Å; S17-D68 PolarHBondContact N-O 2.83Å; S17-D68 PolarHBondContact O-N 3.18Å; R25-D68 IonicContact NH1-OD2 3.49Å; R25-D68 PolarHBondContact NH1-OD2 2.85Å
69I92Very high88.8Confident91 Ų9183.9 Ų83.947%0.46746%0.464SS..EExtended strand (participates in β ladder)trans-85.7113.9167.7-56.9174.8000107.7V16 D72V16-I69 HydrophobicContact CG1-CG1 4.27Å; I69-D72 HydrophobicContact CG2-CB 4.12Å
70I93.1Very high88.2Confident85 Ų8591.5 Ų91.544%0.43650%0.504SS..EExtended strand (participates in β ladder)trans-84.9-42.8-178.3-52.8174000110.2H15 Q27H15-I70 HydrophobicContact CB-CB 4.41Å; H15-I70 PolarHBondContact O-N 3.49Å; Q27-I70 HydrophobicContact CG-CD1 3.55Å
71N90.1Very high87.7Confident98 Ų9893.1 Ų93.152%0.52453%0.525SS..EExtended strand (participates in β ladder)trans-144.2118.2177.2-178.945.5000108.9S14 H15S14-N71 CarbonylContact C-O 3.51Å; S14-N71 VanDerWaalsContact CA-O 3.3Å; S14-N71 WeakPolarHBondContact CA-O 3.02Å; S14-N71 VanDerWaalsContact CB-O 3.31Å; S14-N71 WeakPolarHBondContact CB-O 3.5Å; H15-N71 HydrophobicContact CB-CB 4.17Å; H15-N71 PolarHBondContact N-O 3.36Å; H15-N71 PolarHBondContact O-N 2.49Å; H15-N71 VanDerWaalsContact O-N 3.16Å
72D86.6Confident87.5Confident81 Ų8197.5 Ų97.543%0.43356%0.558SS.*  trans-85.5126.2174.8-157.53.8000109.8S14 I69 T74S14-D72 PolarHBondContact OG-OD1 3.2Å; I69-D72 HydrophobicContact CG2-CB 4.12Å; D72-T74 PolarHBondContact O-N 2.94Å
73R80.7Confident87.3Confident71 Ų71100.2 Ų100.227%0.26856%0.562SS.*  trans-83.4115.7-179.7-174.3179.9179.6153.94.5109.3S14 E29 E75 L77S14-R73 PolarHBondContact OG-N 3.26Å; E29-R73 IonicContact OE1-NH1 3.89Å; R73-E75 PolarHBondContact NE-O 3.39Å; R73-L77 VanDerWaalsContact CZ-CD2 3.45Å
74T77.3Confident87.2Confident132 Ų13296.8 Ų96.881%0.8155%0.554SS**  trans-96.6-11.9178.254.90000113.5D72D72-T74 PolarHBondContact O-N 2.94Å
75E79.3Confident87.2Confident145 Ų145100.8 Ų100.868%0.67858%0.578SS**SBendtrans-85.1145.8-178.9-64.7-179-179.100112.7R73 L77R73-E75 PolarHBondContact NE-O 3.39Å; E75-L77 PolarHBondContact O-N 2.92Å
76T78.7Confident87.2Confident136 Ų136101 Ų10183%0.83458%0.58SS**PPolyproline II helixtrans-60.8131.1173.9460000111
77L78.3Confident87.3Confident78 Ų78104 Ų10441%0.40859%0.591SS.*PPolyproline II helixtrans-66.4143.8177.6-70.5164000110.4V12 R73 E75V12-L77 HydrophobicContact CB-CD1 3.74Å; V12-L77 HydrophobicContact CG1-CD1 3.54Å; V12-L77 HydrophobicContact CG1-CD2 4.38Å; R73-L77 VanDerWaalsContact CZ-CD2 3.45Å; E75-L77 PolarHBondContact O-N 2.92Å
78P81.1Confident87.4Confident91 Ų91104.5 Ų104.559%0.59159%0.592SS**PPolyproline II helixtrans-58.7143.4171.125.2-32.5000109.7L80P78-L80 PolarHBondContact O-N 3.35Å
79P83.6Confident87.5Confident126 Ų126103.9 Ų103.982%0.81860%0.595SS**PPolyproline II helixtrans-54.9140.8174.2-24.433.3000111A81P79-A81 PolarHBondContact O-N 3.32Å
80L82.7Confident87.7Confident169 Ų169103.4 Ų103.489%0.88559%0.593SS**PPolyproline II helixtrans-60.5140.4174-64.5176.5000110P78 S82P78-L80 PolarHBondContact O-N 3.35Å; L80-S82 PolarHBondContact O-N 2.66Å
81A84.9Confident87.8Confident91 Ų91107.1 Ų107.175%0.75260%0.602SS**PPolyproline II helixtrans-60.5135.9173.800000109.9P79 L83P79-A81 PolarHBondContact O-N 3.32Å; A81-L83 PolarHBondContact O-N 3.49Å
82S88.3Confident88.1Confident123 Ų123105.4 Ų105.486%0.8660%0.601SS**PPolyproline II helixtrans-67.3132.3175.857.90000110.2L80L80-S82 PolarHBondContact O-N 2.66Å
83L89.9Confident88.6Confident133 Ų133109.1 Ų109.170%0.69661%0.609SS**PPolyproline II helixtrans-83.8136.3176.4-65177.6000110.1A81 V85 L88A81-L83 PolarHBondContact O-N 3.49Å; L83-V85 PolarHBondContact O-N 3.4Å; L83-V85 VanDerWaalsContact O-N 3.1Å; L83-L88 HydrophobicContact CB-CD1 4.14Å; L83-L88 HydrophobicContact CD1-CD1 4.33Å
84N93.9Very high89.2Confident81 Ų81108.1 Ų108.143%0.43361%0.613SS.*  trans-81.889.5169.3-170.6-46.2000109.5S86 K87 L88N84-S86 PolarHBondContact O-N 3.43Å; N84-S86 PolarHBondContact OD1-N 2.98Å; N84-K87 HydrophobicContact CB-CB 4.09Å; N84-K87 HydrophobicContact CB-CD 4.03Å; N84-K87 HydrophobicContact CB-CG 4.17Å; N84-K87 PolarHBondContact O-N 2.95Å; N84-K87 VanDerWaalsContact O-N 3.15Å; N84-K87 WeakPolarHBondContact OD1-CG 3.41Å; N84-K87 PolarHBondContact OD1-N 3.26Å; N84-L88 PolarHBondContact O-N 3.15Å; N84-L88 VanDerWaalsContact O-N 3.09Å
85V95.4Very high90Very high107 Ų107106.9 Ų106.965%0.64860%0.598SS**Hα-helixtrans-57.6-37.4-176.6-173.60000111.7L83 L88 A89L83-V85 PolarHBondContact O-N 3.4Å; L83-V85 VanDerWaalsContact O-N 3.1Å; V85-L88 PolarHBondContact O-N 2.86Å; V85-A89 WeakPolarHBondContact O-CB 3.44Å; V85-A89 PolarHBondContact O-N 3.35Å
86S95.6Very high90.8Very high82 Ų82106.9 Ų106.957%0.57360%0.596SS**Hα-helixtrans-64-43.9177.7-50.50000112.3N84 L88 A89 N90N84-S86 PolarHBondContact O-N 3.43Å; N84-S86 PolarHBondContact OD1-N 2.98Å; S86-L88 VanDerWaalsContact C-N 3.33Å; S86-L88 PolarHBondContact O-N 3.48Å; S86-A89 PolarHBondContact O-N 3.35Å; S86-N90 WeakPolarHBondContact O-CB 3.42Å; S86-N90 PolarHBondContact O-N 2.79Å; S86-N90 PolarHBondContact O-ND2 3.24Å; S86-N90 PolarHBondContact O-OD1 3.47Å
87K95.3Very high91.6Very high150 Ų150107 Ų10765%0.65259%0.587SS**Hα-helixtrans-62.3-41.2174.3-75.1-178-177.2-177.20111.4N84 N90 R91N84-K87 HydrophobicContact CB-CB 4.09Å; N84-K87 HydrophobicContact CB-CD 4.03Å; N84-K87 HydrophobicContact CB-CG 4.17Å; N84-K87 PolarHBondContact O-N 2.95Å; N84-K87 VanDerWaalsContact O-N 3.15Å; N84-K87 WeakPolarHBondContact OD1-CG 3.41Å; N84-K87 PolarHBondContact OD1-N 3.26Å; K87-N90 PolarHBondContact O-N 3Å; K87-R91 WeakPolarHBondContact O-CB 3.44Å; K87-R91 PolarHBondContact O-N 3.09Å
88L94.9Very high92.3Very high65 Ų65104.9 Ų104.934%0.3458%0.576SS.*Hα-helixtrans-64.1-45.2177.6-67.8173.2000111.8L83 N84 V85 S86 N90 R91 A92L83-L88 HydrophobicContact CB-CD1 4.14Å; L83-L88 HydrophobicContact CD1-CD1 4.33Å; N84-L88 PolarHBondContact O-N 3.15Å; N84-L88 VanDerWaalsContact O-N 3.09Å; V85-L88 PolarHBondContact O-N 2.86Å; S86-L88 VanDerWaalsContact C-N 3.33Å; S86-L88 PolarHBondContact O-N 3.48Å; L88-N90 PolarHBondContact O-N 3.27Å; L88-R91 PolarHBondContact O-N 2.89Å; L88-A92 WeakPolarHBondContact O-CB 3.43Å; L88-A92 PolarHBondContact O-N 3.1Å
89A96.3Very high93Very high46 Ų46106.7 Ų106.738%0.3857%0.574SS.*Hα-helixtrans-63.1-4117700000111.9V85 S86 A92 R93V85-A89 WeakPolarHBondContact O-CB 3.44Å; V85-A89 PolarHBondContact O-N 3.35Å; S86-A89 PolarHBondContact O-N 3.35Å; A89-A92 PolarHBondContact O-N 3.49Å; A89-R93 WeakPolarHBondContact O-CG 3.04Å; A89-R93 PolarHBondContact O-N 2.63Å
90N95.8Very high93.7Very high82 Ų82105.8 Ų105.844%0.43956%0.562SS.*Hα-helixtrans-63.4-43.9176.1-67.3-5.4000111.5S86 K87 L88 R93 S94S86-N90 WeakPolarHBondContact O-CB 3.42Å; S86-N90 PolarHBondContact O-N 2.79Å; S86-N90 PolarHBondContact O-ND2 3.24Å; S86-N90 PolarHBondContact O-OD1 3.47Å; K87-N90 PolarHBondContact O-N 3Å; L88-N90 PolarHBondContact O-N 3.27Å; N90-R93 PolarHBondContact O-N 2.88Å; N90-R93 PolarHBondContact OD1-NH2 3.44Å; N90-S94 WeakPolarHBondContact O-CB 3.42Å; N90-S94 PolarHBondContact O-N 3.5Å
91R95Very high94.3Very high162 Ų16299 Ų9961%0.61153%0.529SS*.Hα-helixtrans-59.8-48174.5-174-179.367179.92.3111K87 L88 R93 S94 E95K87-R91 WeakPolarHBondContact O-CB 3.44Å; K87-R91 PolarHBondContact O-N 3.09Å; L88-R91 PolarHBondContact O-N 2.89Å; R91-R93 VanDerWaalsContact C-N 3.32Å; R91-R93 PolarHBondContact O-N 2.88Å; R91-S94 PolarHBondContact O-N 3.29Å; R91-E95 HydrophobicContact CG-CG 4.42Å; R91-E95 WeakPolarHBondContact O-CG 3.47Å; R91-E95 PolarHBondContact O-N 2.94Å
92A96.6Very high94.8Very high62 Ų6297.7 Ų97.751%0.51251%0.507SS..Hα-helixtrans-60.2-40.8179.100000112.6L88 A89 K96L88-A92 WeakPolarHBondContact O-CB 3.43Å; L88-A92 PolarHBondContact O-N 3.1Å; A89-A92 PolarHBondContact O-N 3.49Å; A92-K96 WeakPolarHBondContact O-CB 3.28Å; A92-K96 PolarHBondContact O-N 3.36Å; A92-K96 VanDerWaalsContact O-N 3.1Å
93R96.1Very high95.2Very high160 Ų16094.1 Ų94.160%0.60449%0.485SS*.Hα-helixtrans-64.8-46.6175.1-74-171.9-65127.7-9.5112.2A89 N90 R91 E95 K96 E97A89-R93 WeakPolarHBondContact O-CG 3.04Å; A89-R93 PolarHBondContact O-N 2.63Å; N90-R93 PolarHBondContact O-N 2.88Å; N90-R93 PolarHBondContact OD1-NH2 3.44Å; R91-R93 VanDerWaalsContact C-N 3.32Å; R91-R93 PolarHBondContact O-N 2.88Å; R93-E95 PolarHBondContact O-N 3.43Å; R93-K96 WeakPolarHBondContact O-CB 3.44Å; R93-K96 PolarHBondContact O-N 3.3Å; R93-E97 PolarHBondContact O-N 3.33Å
94S93.3Very high95.6Very high49 Ų4992.6 Ų92.634%0.34347%0.471SS..Hα-helixtrans-60.6-45.4178.3-170.90000111.8N90 R91 K96 E97 D98N90-S94 WeakPolarHBondContact O-CB 3.42Å; N90-S94 PolarHBondContact O-N 3.5Å; R91-S94 PolarHBondContact O-N 3.29Å; S94-K96 VanDerWaalsContact C-N 3.31Å; S94-K96 PolarHBondContact O-N 3.08Å; S94-E97 PolarHBondContact O-N 2.86Å; S94-D98 WeakPolarHBondContact O-CB 3.35Å; S94-D98 VanDerWaalsContact O-CG 3.31Å; S94-D98 PolarHBondContact O-N 3.21Å
95E95.1Very high95.7Very high107 Ų10788.8 Ų88.850%0.545%0.451SS..Hα-helixtrans-63.2-38.5177.8-69.7-64.2153.300112R91 R93 K99R91-E95 HydrophobicContact CG-CG 4.42Å; R91-E95 WeakPolarHBondContact O-CG 3.47Å; R91-E95 PolarHBondContact O-N 2.94Å; R93-E95 PolarHBondContact O-N 3.43Å; E95-K99 WeakPolarHBondContact O-CB 3.48Å; E95-K99 VanDerWaalsContact O-CG 3.28Å; E95-K99 WeakPolarHBondContact O-CG 3.5Å; E95-K99 PolarHBondContact O-N 2.95Å
96K96.8Very high95.8Very high145 Ų14588.7 Ų88.763%0.6345%0.446SS*.Hα-helixtrans-62.6-47.1174.8-178.1-176177.1-176.30111.1A92 R93 S94 K99 L100A92-K96 WeakPolarHBondContact O-CB 3.28Å; A92-K96 PolarHBondContact O-N 3.36Å; A92-K96 VanDerWaalsContact O-N 3.1Å; R93-K96 WeakPolarHBondContact O-CB 3.44Å; R93-K96 PolarHBondContact O-N 3.3Å; S94-K96 VanDerWaalsContact C-N 3.31Å; S94-K96 PolarHBondContact O-N 3.08Å; K96-K99 PolarHBondContact O-N 3.35Å; K96-L100 HydrophobicContact CG-CD1 4.1Å; K96-L100 VanDerWaalsContact O-CG 3.31Å; K96-L100 WeakPolarHBondContact O-CG 2.88Å; K96-L100 PolarHBondContact O-N 2.89Å
97E94.9Very high95.8Very high137 Ų13789.8 Ų89.864%0.6445%0.453SS*.Hα-helixtrans-62.3-45.1178.9-173.4172.3-177.200111.6R93 S94 K99 L100 S101R93-E97 PolarHBondContact O-N 3.33Å; S94-E97 PolarHBondContact O-N 2.86Å; E97-K99 VanDerWaalsContact C-N 3.3Å; E97-K99 PolarHBondContact O-N 3.35Å; E97-L100 PolarHBondContact O-N 3.26Å; E97-S101 WeakPolarHBondContact O-CB 3.4Å; E97-S101 PolarHBondContact O-N 2.94Å
98D93.8Very high95.9Very high35 Ų3584.1 Ų84.119%0.18743%0.434CS..Hα-helixtrans-59.7-40.3176.8-75.38.5000111.9S94 Q102 H122S94-D98 WeakPolarHBondContact O-CB 3.35Å; S94-D98 VanDerWaalsContact O-CG 3.31Å; S94-D98 PolarHBondContact O-N 3.21Å; D98-Q102 WeakPolarHBondContact O-CG 3.31Å; D98-Q102 PolarHBondContact O-N 3.02Å; D98-Q102 PolarHBondContact O-NE2 3.3Å; D98-H122 IonicContact OD1-CE1 3.88Å; D98-H122 PolarHBondContact OD1-CE1 3.2Å; D98-H122 IonicContact OD1-ND1 3.97Å; D98-H122 IonicContact OD1-NE2 3.31Å; D98-H122 IonicContact OD2-CE1 2.66Å; D98-H122 IonicContact OD2-ND1 3.29Å
99K95.7Very high96Very high128 Ų12883.4 Ų83.456%0.55744%0.442SS*.Hα-helixtrans-70.9-39.9176.7-72.8-67.2179-172.10112.8E95 K96 E97 S101 Q102 A103E95-K99 WeakPolarHBondContact O-CB 3.48Å; E95-K99 VanDerWaalsContact O-CG 3.28Å; E95-K99 WeakPolarHBondContact O-CG 3.5Å; E95-K99 PolarHBondContact O-N 2.95Å; K96-K99 PolarHBondContact O-N 3.35Å; E97-K99 VanDerWaalsContact C-N 3.3Å; E97-K99 PolarHBondContact O-N 3.35Å; K99-S101 VanDerWaalsContact C-N 3.34Å; K99-Q102 PolarHBondContact O-N 3.04Å; K99-A103 WeakPolarHBondContact O-CB 3.43Å; K99-A103 PolarHBondContact O-N 2.83Å
100L96.6Very high96Very high108 Ų10881.6 Ų81.657%0.56543%0.426SS*.Hα-helixtrans-63.6-42.1174.4-72.9171.7000111.2K96 E97 Q102 A103 Y104K96-L100 HydrophobicContact CG-CD1 4.1Å; K96-L100 VanDerWaalsContact O-CG 3.31Å; K96-L100 WeakPolarHBondContact O-CG 2.88Å; K96-L100 PolarHBondContact O-N 2.89Å; E97-L100 PolarHBondContact O-N 3.26Å; L100-Q102 PolarHBondContact O-N 2.95Å; L100-A103 PolarHBondContact O-N 2.94Å; L100-Y104 WeakPolarHBondContact O-CB 3.39Å; L100-Y104 PolarHBondContact O-N 3.45Å
101S95.3Very high96.1Very high26 Ų2679.9 Ų79.918%0.18242%0.421CS..Hα-helixtrans-60.6-43.2174.71790000112.2E97 K99 Y104 A105 W130E97-S101 WeakPolarHBondContact O-CB 3.4Å; E97-S101 PolarHBondContact O-N 2.94Å; K99-S101 VanDerWaalsContact C-N 3.34Å; S101-Y104 PolarHBondContact O-N 3.33Å; S101-A105 PolarHBondContact O-N 3.4Å; S101-A105 VanDerWaalsContact O-N 3.08Å; S101-W130 PolarHBondContact O-NE1 3.27Å; S101-W130 PolarHBondContact OG-NE1 3.05Å
102Q96.1Very high96.2Very high64 Ų6475.8 Ų75.830%0.29942%0.422SS..Hα-helixtrans-62-46.5173.6-75.5166.350.400112.3D98 K99 L100 Y104 A105 I106D98-Q102 WeakPolarHBondContact O-CG 3.31Å; D98-Q102 PolarHBondContact O-N 3.02Å; D98-Q102 PolarHBondContact O-NE2 3.3Å; K99-Q102 PolarHBondContact O-N 3.04Å; L100-Q102 PolarHBondContact O-N 2.95Å; Q102-Y104 VanDerWaalsContact C-N 3.32Å; Q102-Y104 PolarHBondContact O-N 3.14Å; Q102-A105 PolarHBondContact O-N 3.35Å; Q102-I106 WeakPolarHBondContact O-CG1 3.39Å; Q102-I106 PolarHBondContact O-N 3.24Å; Q102-I106 VanDerWaalsContact O-N 3.14Å
103A97.3Very high96.1Very high48 Ų4878 Ų7840%0.39742%0.421SS..Hα-helixtrans-63-39178.800000112.2K99 L100 I106 S107K99-A103 WeakPolarHBondContact O-CB 3.43Å; K99-A103 PolarHBondContact O-N 2.83Å; L100-A103 PolarHBondContact O-N 2.94Å; A103-I106 PolarHBondContact O-N 3.37Å; A103-S107 WeakPolarHBondContact O-CB 3.32Å; A103-S107 PolarHBondContact O-N 3.25Å; A103-S107 PolarHBondContact O-OG 3.26Å
104Y97.3Very high96.2Very high100 Ų10070.3 Ų70.339%0.39239%0.393SS..Hα-helixtrans-58.8-50173.1170.2-85.8000111.1L100 S101 Q102 I106 S107 A108 W130 E132L100-Y104 WeakPolarHBondContact O-CB 3.39Å; L100-Y104 PolarHBondContact O-N 3.45Å; S101-Y104 PolarHBondContact O-N 3.33Å; Q102-Y104 VanDerWaalsContact C-N 3.32Å; Q102-Y104 PolarHBondContact O-N 3.14Å; Y104-I106 VanDerWaalsContact C-N 3.3Å; Y104-I106 PolarHBondContact O-N 3.08Å; Y104-S107 PolarHBondContact O-N 3.46Å; Y104-S107 VanDerWaalsContact O-N 3.1Å; Y104-A108 HydrophobicContact CE1-CB 4.13Å; Y104-A108 WeakPolarHBondContact O-CB 3.31Å; Y104-A108 PolarHBondContact O-N 3.49Å; Y104-W130 HydrophobicContact CD1-CB 3.65Å; Y104-W130 AromaticContact CD1-CD1 3.86Å; Y104-W130 AromaticContact CD1-CG 3.8Å; Y104-W130 HydrophobicContact CD1-CG 3.8Å; Y104-W130 HydrophobicContact CE1-CB 3.36Å; Y104-W130 AromaticContact CE1-CG 3.91Å; Y104-W130 HydrophobicContact CE1-CG 3.91Å; Y104-E132 WeakPolarHBondContact CE1-O 3.47Å; Y104-E132 WeakPolarHBondContact OH-CA 3.38Å; Y104-E132 PolarHBondContact OH-N 3.02Å; Y104-E132 PolarHBondContact OH-O 2.96Å
105A96.7Very high96.4Very high1 Ų170.3 Ų70.31%0.00839%0.387CS..Hα-helixtrans-60.1-41.4-177.700000112.2S101 Q102 A108 G109 V110 Q115 W130S101-A105 PolarHBondContact O-N 3.4Å; S101-A105 VanDerWaalsContact O-N 3.08Å; Q102-A105 PolarHBondContact O-N 3.35Å; A105-A108 PolarHBondContact O-N 3.3Å; A105-G109 PolarHBondContact O-N 3.22Å; A105-V110 HydrophobicContact CB-CB 4.21Å; A105-V110 HydrophobicContact CB-CG2 4.23Å; A105-V110 VanDerWaalsContact O-CB 3.31Å; A105-V110 WeakPolarHBondContact O-CB 3.16Å; A105-V110 WeakPolarHBondContact O-CG2 3.34Å; A105-V110 PolarHBondContact O-N 3.03Å; A105-Q115 HydrophobicContact CB-CG 4.11Å; A105-W130 HydrophobicContact CB-CD2 4.26Å; A105-W130 HydrophobicContact CB-CH2 4.38Å; A105-W130 HydrophobicContact CB-CZ2 3.66Å
106I96.5Very high96.5Very high106 Ų10668.7 Ų68.754%0.54438%0.381SS..Hα-helixtrans-61.1-49.4174.5-66.1166.4000110.1Q102 A103 Y104 A108 G109Q102-I106 WeakPolarHBondContact O-CG1 3.39Å; Q102-I106 PolarHBondContact O-N 3.24Å; Q102-I106 VanDerWaalsContact O-N 3.14Å; A103-I106 PolarHBondContact O-N 3.37Å; Y104-I106 VanDerWaalsContact C-N 3.3Å; Y104-I106 PolarHBondContact O-N 3.08Å; I106-A108 VanDerWaalsContact C-N 3.29Å; I106-A108 PolarHBondContact O-N 3.33Å; I106-G109 PolarHBondContact O-N 3.14Å
107S96.4Very high96.6Very high105 Ų10561.8 Ų61.873%0.73435%0.351SS*.Hα-helixtrans-64.7-33.7-178.4-54.50000112.6A103 Y104 G109A103-S107 WeakPolarHBondContact O-CB 3.32Å; A103-S107 PolarHBondContact O-N 3.25Å; A103-S107 PolarHBondContact O-OG 3.26Å; Y104-S107 PolarHBondContact O-N 3.46Å; Y104-S107 VanDerWaalsContact O-N 3.1Å; S107-G109 PolarHBondContact O-N 3.04Å
108A96.8Very high96.7Very high30 Ų3055.9 Ų55.925%0.24832%0.324CS..THydrogen-bonded Turntrans-74.8-6.3175.200000113.2Y104 A105 I106 V110 K133Y104-A108 HydrophobicContact CE1-CB 4.13Å; Y104-A108 WeakPolarHBondContact O-CB 3.31Å; Y104-A108 PolarHBondContact O-N 3.49Å; A105-A108 PolarHBondContact O-N 3.3Å; I106-A108 VanDerWaalsContact C-N 3.29Å; I106-A108 PolarHBondContact O-N 3.33Å; A108-V110 HydrophobicContact CB-CG2 4.32Å; A108-K133 WeakPolarHBondContact O-CE 3.32Å
109G96.9Very high96.8Very high50 Ų5057.4 Ų57.452%0.51533%0.33SS..THydrogen-bonded Turntrans71.635-179.200000113.5A105 I106 S107A105-G109 PolarHBondContact O-N 3.22Å; I106-G109 PolarHBondContact O-N 3.14Å; S107-G109 PolarHBondContact O-N 3.04Å
110V98Very high96.9Very high8 Ų853.2 Ų53.25%0.04832%0.315CS..  trans-71.4138.2172.7175.10000109.9A105 A108 Q115 W130 K133 Y147A105-V110 HydrophobicContact CB-CB 4.21Å; A105-V110 HydrophobicContact CB-CG2 4.23Å; A105-V110 VanDerWaalsContact O-CB 3.31Å; A105-V110 WeakPolarHBondContact O-CB 3.16Å; A105-V110 WeakPolarHBondContact O-CG2 3.34Å; A105-V110 PolarHBondContact O-N 3.03Å; A108-V110 HydrophobicContact CB-CG2 4.32Å; V110-Q115 HydrophobicContact CB-CG 4.25Å; V110-Q115 HydrophobicContact CG1-CG 3.88Å; V110-Q115 PolarHBondContact O-NE2 3.46Å; V110-W130 HydrophobicContact CG1-CH2 3.69Å; V110-W130 HydrophobicContact CG1-CZ3 3.86Å; V110-W130 HydrophobicContact CG2-CE3 4.35Å; V110-W130 HydrophobicContact CG2-CH2 4.49Å; V110-W130 HydrophobicContact CG2-CZ3 4.09Å; V110-K133 HydrophobicContact CG2-CB 4.31Å; V110-K133 HydrophobicContact CG2-CG 4.24Å; V110-Y147 HydrophobicContact CG1-CE2 4.48Å; V110-Y147 WeakPolarHBondContact CG1-OH 3.37Å
111S97.3Very high96.9Very high47 Ų4748.1 Ų48.133%0.32929%0.288SS..  trans-64.5156.6179.283.80000112.3E113 G114 Q115S111-E113 WeakPolarHBondContact CB-OE2 3.44Å; S111-E113 PolarHBondContact O-N 3.15Å; S111-E113 PolarHBondContact OG-N 2.66Å; S111-E113 PolarHBondContact OG-OE2 3.09Å; S111-G114 PolarHBondContact O-N 3.08Å; S111-G114 VanDerWaalsContact O-N 3.09Å; S111-G114 PolarHBondContact OG-N 3.29Å; S111-Q115 WeakPolarHBondContact O-CG 3.49Å; S111-Q115 PolarHBondContact O-N 3.09Å
112A96.1Very high97Very high76 Ų7648.3 Ų48.363%0.62829%0.286SS*.Hα-helixtrans-58.6-35.7176.600000112.1L116A112-L116 WeakPolarHBondContact O-CB 3.41Å; A112-L116 PolarHBondContact O-N 2.91Å
113E95.7Very high96.9Very high107 Ų10752.9 Ų52.950%0.531%0.305SS..Hα-helixtrans-64.3-44.7174-56.595.2-178.900111.7S111 Q115 L116 L117S111-E113 WeakPolarHBondContact CB-OE2 3.44Å; S111-E113 PolarHBondContact O-N 3.15Å; S111-E113 PolarHBondContact OG-N 2.66Å; S111-E113 PolarHBondContact OG-OE2 3.09Å; E113-Q115 VanDerWaalsContact C-N 3.35Å; E113-Q115 PolarHBondContact O-N 2.57Å; E113-L116 PolarHBondContact O-N 3.45Å; E113-L117 WeakPolarHBondContact O-CB 3.27Å; E113-L117 PolarHBondContact O-N 2.85Å
114G97.5Very high96.7Very high0 Ų054.8 Ų54.80%031%0.312CS..Hα-helixtrans-60.4-43.8177.700000112.3S111 L116 L117 F118S111-G114 PolarHBondContact O-N 3.08Å; S111-G114 VanDerWaalsContact O-N 3.09Å; S111-G114 PolarHBondContact OG-N 3.29Å; G114-L116 VanDerWaalsContact C-N 3.35Å; G114-L116 PolarHBondContact O-N 3.12Å; G114-L117 PolarHBondContact O-N 2.98Å; G114-F118 PolarHBondContact O-N 2.79Å
115Q97.9Very high96.6Very high48 Ų4851.1 Ų51.122%0.22430%0.299CS..Hα-helixtrans-60.9-43.2176.1-66.3176.138.800111.8A105 V110 S111 E113 F118 Q119A105-Q115 HydrophobicContact CB-CG 4.11Å; V110-Q115 HydrophobicContact CB-CG 4.25Å; V110-Q115 HydrophobicContact CG1-CG 3.88Å; V110-Q115 PolarHBondContact O-NE2 3.46Å; S111-Q115 WeakPolarHBondContact O-CG 3.49Å; S111-Q115 PolarHBondContact O-N 3.09Å; E113-Q115 VanDerWaalsContact C-N 3.35Å; E113-Q115 PolarHBondContact O-N 2.57Å; Q115-F118 PolarHBondContact O-N 3.09Å; Q115-Q119 WeakPolarHBondContact O-CG 3.03Å; Q115-Q119 PolarHBondContact O-N 3.24Å; Q115-Q119 VanDerWaalsContact O-N 3.12Å
116L97Very high96.4Very high73 Ų7357.3 Ų57.338%0.38233%0.326SS..Hα-helixtrans-69.5-38179.7-168.670.6000112.3A112 E113 G114 Q119 T120 V174A112-L116 WeakPolarHBondContact O-CB 3.41Å; A112-L116 PolarHBondContact O-N 2.91Å; E113-L116 PolarHBondContact O-N 3.45Å; G114-L116 VanDerWaalsContact C-N 3.35Å; G114-L116 PolarHBondContact O-N 3.12Å; L116-Q119 PolarHBondContact O-N 3.45Å; L116-T120 PolarHBondContact O-N 3.18Å; L116-T120 PolarHBondContact O-OG1 2.88Å; L116-V174 HydrophobicContact CD2-CG2 3.81Å
117L98.1Very high96.3Very high0 Ų056.4 Ų56.40%032%0.322CS..Hα-helixtrans-62.8-46.5174.3177.764.8000110.7E113 G114 Q119 T120 I121 I135 I143 V167 H170E113-L117 WeakPolarHBondContact O-CB 3.27Å; E113-L117 PolarHBondContact O-N 2.85Å; G114-L117 PolarHBondContact O-N 2.98Å; L117-Q119 VanDerWaalsContact C-N 3.31Å; L117-Q119 PolarHBondContact O-N 3.13Å; L117-T120 WeakPolarHBondContact O-CA 3.47Å; L117-T120 WeakPolarHBondContact O-CB 3.39Å; L117-T120 PolarHBondContact O-N 3.37Å; L117-I121 HydrophobicContact CD1-CD1 4.1Å; L117-I121 HydrophobicContact CD1-CG1 4.27Å; L117-I121 HydrophobicContact CD2-CD1 4.41Å; L117-I121 HydrophobicContact CG-CD1 3.88Å; L117-I121 HydrophobicContact CG-CG1 4.44Å; L117-I121 WeakPolarHBondContact O-CG1 3.45Å; L117-I121 PolarHBondContact O-N 3.15Å; L117-I135 HydrophobicContact CB-CD1 4.44Å; L117-I135 HydrophobicContact CD2-CD1 4.06Å; L117-I135 HydrophobicContact CG-CD1 4.17Å; L117-I143 HydrophobicContact CD2-CG2 4.33Å; L117-V167 HydrophobicContact CD1-CB 4.38Å; L117-V167 HydrophobicContact CD1-CG1 4.36Å; L117-V167 HydrophobicContact CD1-CG2 4.09Å; L117-V167 HydrophobicContact CD2-CG1 4.24Å; L117-V167 HydrophobicContact CD2-CG2 4.18Å; L117-H170 HydrophobicContact CD1-CB 3.74Å
118F98.1Very high96.3Very high14 Ų1452 Ų526%0.06129%0.291CS..Hα-helixtrans-55.4-46.9175.9-179.6-88.9000111.6G114 Q115 T120 I121 H122 C128 W130 I135G114-F118 PolarHBondContact O-N 2.79Å; Q115-F118 PolarHBondContact O-N 3.09Å; F118-T120 VanDerWaalsContact C-N 3.26Å; F118-T120 PolarHBondContact O-N 3.24Å; F118-I121 PolarHBondContact O-N 2.79Å; F118-H122 HydrophobicContact CD1-CB 4.42Å; F118-H122 HydrophobicContact CE1-CB 4.13Å; F118-H122 VanDerWaalsContact O-CB 3.27Å; F118-H122 WeakPolarHBondContact O-CB 3.34Å; F118-H122 PolarHBondContact O-N 3.31Å; F118-C128 HydrophobicContact CE2-CB 4.39Å; F118-W130 HydrophobicContact CB-CH2 3.49Å; F118-W130 VanDerWaalsContact CB-CH2 3.49Å; F118-W130 HydrophobicContact CB-CZ2 3.24Å; F118-W130 HydrophobicContact CB-CZ3 4.49Å; F118-W130 AromaticContact CD1-CZ2 3.91Å; F118-W130 HydrophobicContact CD1-CZ2 3.91Å; F118-W130 AromaticContact CD1-NE1 3.86Å; F118-W130 HydrophobicContact CD2-CD2 4.02Å; F118-W130 AromaticContact CD2-CE2 3.58Å; F118-W130 HydrophobicContact CD2-CE3 4.45Å; F118-W130 HydrophobicContact CD2-CH2 4.12Å; F118-W130 AromaticContact CD2-CZ2 3.67Å; F118-W130 HydrophobicContact CD2-CZ2 3.67Å; F118-W130 HydrophobicContact CD2-CZ3 4.5Å; F118-W130 AromaticContact CD2-NE1 3.91Å; F118-W130 AromaticContact CE1-NE1 3.88Å; F118-W130 HydrophobicContact CE2-CD2 4.3Å; F118-W130 HydrophobicContact CE2-CG 4.41Å; F118-W130 AromaticContact CE2-NE1 3.93Å; F118-W130 HydrophobicContact CG-CD2 4.47Å; F118-W130 AromaticContact CG-CE2 3.59Å; F118-W130 AromaticContact CG-CH2 3.95Å; F118-W130 HydrophobicContact CG-CH2 3.95Å; F118-W130 AromaticContact CG-CZ2 3.31Å; F118-W130 HydrophobicContact CG-CZ2 3.31Å; F118-W130 AromaticContact CG-NE1 3.9Å; F118-W130 AromaticContact CZ-NE1 3.93Å; F118-I135 HydrophobicContact CB-CD1 3.92Å; F118-I135 HydrophobicContact CB-CG1 4.34Å; F118-I135 HydrophobicContact CD2-CB 4.45Å; F118-I135 HydrophobicContact CD2-CD1 4.44Å; F118-I135 HydrophobicContact CD2-CG1 4.08Å; F118-I135 HydrophobicContact CD2-CG2 3.76Å; F118-I135 HydrophobicContact CE2-CG2 4.29Å
119Q96.7Very high96.2Very high66 Ų6655 Ų5531%0.30830%0.299SS..Hα-helixtrans-59.9-37.1176.5-69.7176.416.200112.5Q115 L116 L117 K123Q115-Q119 WeakPolarHBondContact O-CG 3.03Å; Q115-Q119 PolarHBondContact O-N 3.24Å; Q115-Q119 VanDerWaalsContact O-N 3.12Å; L116-Q119 PolarHBondContact O-N 3.45Å; L117-Q119 VanDerWaalsContact C-N 3.31Å; L117-Q119 PolarHBondContact O-N 3.13Å; Q119-K123 VanDerWaalsContact O-CG 3.29Å; Q119-K123 WeakPolarHBondContact O-CG 3.27Å; Q119-K123 PolarHBondContact O-N 2.87Å; Q119-K123 VanDerWaalsContact O-N 3.13Å
120T97.2Very high96.3Very high41 Ų4154.1 Ų54.125%0.25228%0.28SS..Hα-helixtrans-68.1-43178.1-58.80000111.4L116 L117 F118 T124 H170L116-T120 PolarHBondContact O-N 3.18Å; L116-T120 PolarHBondContact O-OG1 2.88Å; L117-T120 WeakPolarHBondContact O-CA 3.47Å; L117-T120 WeakPolarHBondContact O-CB 3.39Å; L117-T120 PolarHBondContact O-N 3.37Å; F118-T120 VanDerWaalsContact C-N 3.26Å; F118-T120 PolarHBondContact O-N 3.24Å; T120-T124 PolarHBondContact O-OG1 3.05Å; T120-H170 HydrophobicContact CG2-CB 4.14Å; T120-H170 PolarHBondContact OG1-CE1 3.45Å; T120-H170 PolarHBondContact OG1-ND1 2.97Å
121I97.1Very high96.2Very high1 Ų158.2 Ų58.21%0.00530%0.298CS..Hα-helixtrans-64.2-49.8174.6-65168.1000109.6L117 F118 K123 T124 I125 C128 I135 V137 I143 I166L117-I121 HydrophobicContact CD1-CD1 4.1Å; L117-I121 HydrophobicContact CD1-CG1 4.27Å; L117-I121 HydrophobicContact CD2-CD1 4.41Å; L117-I121 HydrophobicContact CG-CD1 3.88Å; L117-I121 HydrophobicContact CG-CG1 4.44Å; L117-I121 WeakPolarHBondContact O-CG1 3.45Å; L117-I121 PolarHBondContact O-N 3.15Å; F118-I121 PolarHBondContact O-N 2.79Å; I121-K123 PolarHBondContact O-N 2.85Å; I121-K123 VanDerWaalsContact O-N 3.15Å; I121-T124 CarbonylContact O-C 3.55Å; I121-T124 WeakPolarHBondContact O-CA 3.34Å; I121-T124 PolarHBondContact O-N 3.08Å; I121-I125 HydrophobicContact CG2-CB 4.41Å; I121-I125 PolarHBondContact O-N 2.85Å; I121-C128 HydrophobicContact CG2-CB 4.11Å; I121-I135 HydrophobicContact CD1-CD1 4.32Å; I121-I135 HydrophobicContact CD1-CG2 4.23Å; I121-V137 HydrophobicContact CD1-CG2 4.46Å; I121-V137 HydrophobicContact CG2-CG1 4.27Å; I121-V137 HydrophobicContact CG2-CG2 3.95Å; I121-I143 HydrophobicContact CD1-CD1 3.37Å; I121-I166 HydrophobicContact CG1-CG2 3.96Å
122H95.9Very high96.1Very high30 Ų3062.9 Ų62.914%0.13932%0.315CS..Hα-helixtrans-61.5-24.7-177.6-172.1-112.7000114.3D98 F118 T124 I125 K126D98-H122 IonicContact OD1-CE1 3.88Å; D98-H122 PolarHBondContact OD1-CE1 3.2Å; D98-H122 IonicContact OD1-ND1 3.97Å; D98-H122 IonicContact OD1-NE2 3.31Å; D98-H122 IonicContact OD2-CE1 2.66Å; D98-H122 IonicContact OD2-ND1 3.29Å; F118-H122 HydrophobicContact CD1-CB 4.42Å; F118-H122 HydrophobicContact CE1-CB 4.13Å; F118-H122 VanDerWaalsContact O-CB 3.27Å; F118-H122 WeakPolarHBondContact O-CB 3.34Å; F118-H122 PolarHBondContact O-N 3.31Å; H122-T124 VanDerWaalsContact C-N 3.35Å; H122-I125 WeakPolarHBondContact CA-O 3.29Å; H122-K126 WeakPolarHBondContact O-CD 3.21Å; H122-K126 WeakPolarHBondContact O-CE 3.44Å; H122-K126 PolarHBondContact O-NZ 3.48Å
123K94.2Very high96.2Very high159 Ų15964.1 Ų64.169%0.69131%0.306SS*.Hα-helixtrans-73.1-28.1171.3-76.9173-175.6176.20112.8Q119 I121Q119-K123 VanDerWaalsContact O-CG 3.29Å; Q119-K123 WeakPolarHBondContact O-CG 3.27Å; Q119-K123 PolarHBondContact O-N 2.87Å; Q119-K123 VanDerWaalsContact O-N 3.13Å; I121-K123 PolarHBondContact O-N 2.85Å; I121-K123 VanDerWaalsContact O-N 3.15Å
124T93.9Very high96.3Very high89 Ų8960.8 Ų60.855%0.54629%0.292SS..Hα-helixtrans-98.1-40.4-176-48.50000111.8T120 I121 H122 I166T120-T124 PolarHBondContact O-OG1 3.05Å; I121-T124 CarbonylContact O-C 3.55Å; I121-T124 WeakPolarHBondContact O-CA 3.34Å; I121-T124 PolarHBondContact O-N 3.08Å; H122-T124 VanDerWaalsContact C-N 3.35Å; T124-I166 HydrophobicContact CG2-CD1 4.15Å
125I94.9Very high96.3Very high22 Ų2260.8 Ų60.811%0.11329%0.292CS..  trans-130.8109.5-176-56.7174.3000106.8I121 H122 D127 V137 M138 I166I121-I125 HydrophobicContact CG2-CB 4.41Å; I121-I125 PolarHBondContact O-N 2.85Å; H122-I125 WeakPolarHBondContact CA-O 3.29Å; I125-D127 VanDerWaalsContact C-N 3.3Å; I125-V137 HydrophobicContact CB-CG1 4.5Å; I125-V137 HydrophobicContact CD1-CG1 3.93Å; I125-V137 HydrophobicContact CG2-CG1 3.97Å; I125-M138 HydrophobicContact CG2-CG 3.89Å; I125-M138 HydrophobicContact CG2-SD 4.2Å; I125-I166 HydrophobicContact CD1-CD1 3.67Å; I125-I166 HydrophobicContact CG1-CD1 4.33Å
126K91.8Very high96.3Very high132 Ų13259.2 Ų59.257%0.57429%0.285SS*.SBendtrans-72-26.1-178.6-69.6-69.1169.4-160.30113.4H122 C128H122-K126 WeakPolarHBondContact O-CD 3.21Å; H122-K126 WeakPolarHBondContact O-CE 3.44Å; H122-K126 PolarHBondContact O-NZ 3.48Å; K126-C128 VanDerWaalsContact C-N 3.28Å; K126-C128 PolarHBondContact O-N 2.96Å
127D94.9Very high96.4Very high86 Ų8655.8 Ų55.846%0.4627%0.267SS..  trans-83.474.8175.5-1709.3000110.6I125 M138I125-D127 VanDerWaalsContact C-N 3.3Å; D127-M138 HydrophobicContact CB-CG 4.3Å; D127-M138 PolarHBondContact O-N 3.05Å
128C96.1Very high96.2Very high13 Ų1360 Ų609%0.08829%0.287CS..EExtended strand (participates in β ladder)trans-144.8146.5167.268.60000110.9F118 I121 K126 L136 V137F118-C128 HydrophobicContact CE2-CB 4.39Å; I121-C128 HydrophobicContact CG2-CB 4.11Å; K126-C128 VanDerWaalsContact C-N 3.28Å; K126-C128 PolarHBondContact O-N 2.96Å; C128-L136 CarbonylContact C-O 3.57Å; C128-L136 WeakPolarHBondContact CA-O 3.42Å; C128-L136 WeakPolarHBondContact CB-O 3.45Å; C128-V137 HydrophobicContact CB-CB 4.45Å; C128-V137 HydrophobicContact CB-CG1 4.43Å; C128-V137 HydrophobicContact CB-CG2 4.16Å
129K96.1Very high96Very high94 Ų9463.7 Ų63.741%0.40931%0.308SS..EExtended strand (participates in β ladder)trans-144.8161.9-176.463.1-165174.1-154.30111.2L136 D139K129-L136 HydrophobicContact CG-CB 4.2Å; K129-L136 HydrophobicContact CG-CD2 4.5Å; K129-L136 PolarHBondContact N-O 2.81Å; K129-L136 PolarHBondContact O-N 3.38Å; K129-D139 WeakPolarHBondContact CE-OD1 3.15Å; K129-D139 VanDerWaalsContact NZ-CG 3.29Å; K129-D139 IonicContact NZ-OD1 3.6Å; K129-D139 PolarHBondContact NZ-OD1 2.88Å; K129-D139 IonicContact NZ-OD2 2.64Å; K129-D139 PolarHBondContact NZ-OD2 3.39Å; K129-D139 VanDerWaalsContact NZ-OD2 3.09Å
130W97.6Very high95.9Very high31 Ų3164.6 Ų64.612%0.11732%0.315CS..EExtended strand (participates in β ladder)trans-78.8138.5170.6-65.1107.4000110.8S101 Y104 A105 V110 F118 N134 I135S101-W130 PolarHBondContact O-NE1 3.27Å; S101-W130 PolarHBondContact OG-NE1 3.05Å; Y104-W130 HydrophobicContact CD1-CB 3.65Å; Y104-W130 AromaticContact CD1-CD1 3.86Å; Y104-W130 AromaticContact CD1-CG 3.8Å; Y104-W130 HydrophobicContact CD1-CG 3.8Å; Y104-W130 HydrophobicContact CE1-CB 3.36Å; Y104-W130 AromaticContact CE1-CG 3.91Å; Y104-W130 HydrophobicContact CE1-CG 3.91Å; A105-W130 HydrophobicContact CB-CD2 4.26Å; A105-W130 HydrophobicContact CB-CH2 4.38Å; A105-W130 HydrophobicContact CB-CZ2 3.66Å; V110-W130 HydrophobicContact CG1-CH2 3.69Å; V110-W130 HydrophobicContact CG1-CZ3 3.86Å; V110-W130 HydrophobicContact CG2-CE3 4.35Å; V110-W130 HydrophobicContact CG2-CH2 4.49Å; V110-W130 HydrophobicContact CG2-CZ3 4.09Å; F118-W130 HydrophobicContact CB-CH2 3.49Å; F118-W130 VanDerWaalsContact CB-CH2 3.49Å; F118-W130 HydrophobicContact CB-CZ2 3.24Å; F118-W130 HydrophobicContact CB-CZ3 4.49Å; F118-W130 AromaticContact CD1-CZ2 3.91Å; F118-W130 HydrophobicContact CD1-CZ2 3.91Å; F118-W130 AromaticContact CD1-NE1 3.86Å; F118-W130 HydrophobicContact CD2-CD2 4.02Å; F118-W130 AromaticContact CD2-CE2 3.58Å; F118-W130 HydrophobicContact CD2-CE3 4.45Å; F118-W130 HydrophobicContact CD2-CH2 4.12Å; F118-W130 AromaticContact CD2-CZ2 3.67Å; F118-W130 HydrophobicContact CD2-CZ2 3.67Å; F118-W130 HydrophobicContact CD2-CZ3 4.5Å; F118-W130 AromaticContact CD2-NE1 3.91Å; F118-W130 AromaticContact CE1-NE1 3.88Å; F118-W130 HydrophobicContact CE2-CD2 4.3Å; F118-W130 HydrophobicContact CE2-CG 4.41Å; F118-W130 AromaticContact CE2-NE1 3.93Å; F118-W130 HydrophobicContact CG-CD2 4.47Å; F118-W130 AromaticContact CG-CE2 3.59Å; F118-W130 AromaticContact CG-CH2 3.95Å; F118-W130 HydrophobicContact CG-CH2 3.95Å; F118-W130 AromaticContact CG-CZ2 3.31Å; F118-W130 HydrophobicContact CG-CZ2 3.31Å; F118-W130 AromaticContact CG-NE1 3.9Å; F118-W130 AromaticContact CZ-NE1 3.93Å; W130-N134 WeakPolarHBondContact CA-O 3.33Å; W130-I135 HydrophobicContact CE3-CG1 4.03Å; W130-I135 HydrophobicContact CH2-CD1 4.25Å; W130-I135 HydrophobicContact CH2-CG1 3.91Å; W130-I135 HydrophobicContact CZ3-CD1 4.23Å; W130-I135 HydrophobicContact CZ3-CG1 3.45Å; W130-I135 VanDerWaalsContact CZ3-CG1 3.45Å
131Q96.4Very high96Very high94 Ų9462.7 Ų62.744%0.43930%0.303SS..EExtended strand (participates in β ladder)trans-126.4100.7167179.8-177.260.600107.2K133 N134 L136Q131-K133 PolarHBondContact O-N 3.45Å; Q131-K133 VanDerWaalsContact O-N 3.09Å; Q131-N134 PolarHBondContact N-O 2.89Å; Q131-N134 WeakPolarHBondContact O-CA 3.43Å; Q131-N134 WeakPolarHBondContact O-CB 3.34Å; Q131-N134 PolarHBondContact O-N 3.3Å; Q131-L136 HydrophobicContact CB-CB 4.46Å
132E95.4Very high96Very high145 Ų14564.6 Ų64.668%0.67832%0.315SS*.THydrogen-bonded Turntrans54.3-113.3-166.7-57.7178.3178.100110.4Y104Y104-E132 WeakPolarHBondContact CE1-O 3.47Å; Y104-E132 WeakPolarHBondContact OH-CA 3.38Å; Y104-E132 PolarHBondContact OH-N 3.02Å; Y104-E132 PolarHBondContact OH-O 2.96Å
133K97.6Very high96.2Very high102 Ų10263.2 Ų63.244%0.44331%0.308SS..THydrogen-bonded Turntrans-96.4-4.8173.7-66.6179.8173.9178.40113.2A108 V110 Q131 P145 Y147A108-K133 WeakPolarHBondContact O-CE 3.32Å; V110-K133 HydrophobicContact CG2-CB 4.31Å; V110-K133 HydrophobicContact CG2-CG 4.24Å; Q131-K133 PolarHBondContact O-N 3.45Å; Q131-K133 VanDerWaalsContact O-N 3.09Å; K133-P145 HydrophobicContact CB-CG 4.23Å; K133-Y147 VanDerWaalsContact O-CE1 3.27Å; K133-Y147 WeakPolarHBondContact O-CE1 3.39Å; K133-Y147 PolarHBondContact O-OH 2.96Å
134N98Very high96.4Very high36 Ų3656.9 Ų56.919%0.19328%0.284CS..EExtended strand (participates in β ladder)trans-88.5155.1-178-54.8-39.9000111.5W130 Q131 V142 I143 S144 P145W130-N134 WeakPolarHBondContact CA-O 3.33Å; Q131-N134 PolarHBondContact N-O 2.89Å; Q131-N134 WeakPolarHBondContact O-CA 3.43Å; Q131-N134 WeakPolarHBondContact O-CB 3.34Å; Q131-N134 PolarHBondContact O-N 3.3Å; N134-V142 HydrophobicContact CB-CG1 3.82Å; N134-I143 CarbonylContact C-O 3.56Å; N134-I143 WeakPolarHBondContact CA-O 3.36Å; N134-S144 WeakPolarHBondContact OD1-CA 3.36Å; N134-S144 WeakPolarHBondContact OD1-CB 3.4Å; N134-P145 WeakPolarHBondContact OD1-CD 3.49Å
135I98.3Very high96.6Very high0 Ų055.5 Ų55.50%028%0.277CS..EExtended strand (participates in β ladder)trans-99.1119.2169.9-54.2170.3000107.7L117 F118 I121 W130 V137 V142 I143 Y147L117-I135 HydrophobicContact CB-CD1 4.44Å; L117-I135 HydrophobicContact CD2-CD1 4.06Å; L117-I135 HydrophobicContact CG-CD1 4.17Å; F118-I135 HydrophobicContact CB-CD1 3.92Å; F118-I135 HydrophobicContact CB-CG1 4.34Å; F118-I135 HydrophobicContact CD2-CB 4.45Å; F118-I135 HydrophobicContact CD2-CD1 4.44Å; F118-I135 HydrophobicContact CD2-CG1 4.08Å; F118-I135 HydrophobicContact CD2-CG2 3.76Å; F118-I135 HydrophobicContact CE2-CG2 4.29Å; I121-I135 HydrophobicContact CD1-CD1 4.32Å; I121-I135 HydrophobicContact CD1-CG2 4.23Å; W130-I135 HydrophobicContact CE3-CG1 4.03Å; W130-I135 HydrophobicContact CH2-CD1 4.25Å; W130-I135 HydrophobicContact CH2-CG1 3.91Å; W130-I135 HydrophobicContact CZ3-CD1 4.23Å; W130-I135 HydrophobicContact CZ3-CG1 3.45Å; W130-I135 VanDerWaalsContact CZ3-CG1 3.45Å; I135-V137 HydrophobicContact CG2-CG2 3.88Å; I135-V142 CarbonylContact O-C 3.56Å; I135-V142 WeakPolarHBondContact O-CA 3.45Å; I135-I143 HydrophobicContact CB-CB 4.17Å; I135-I143 HydrophobicContact CB-CD1 4.38Å; I135-I143 HydrophobicContact CB-CG1 4.47Å; I135-I143 HydrophobicContact CG2-CD1 4.45Å; I135-I143 PolarHBondContact N-O 2.87Å; I135-I143 PolarHBondContact O-N 3.08Å; I135-Y147 HydrophobicContact CD1-CD1 4.21Å; I135-Y147 HydrophobicContact CD1-CE1 4.45Å; I135-Y147 HydrophobicContact CG1-CE1 4.36Å
136L97.9Very high96.6Very high16 Ų1658.6 Ų58.68%0.08430%0.298CS..EExtended strand (participates in β ladder)trans-100.7121.5173.7-178.356.7000108.8C128 K129 Q131 D139 V142C128-L136 CarbonylContact C-O 3.57Å; C128-L136 WeakPolarHBondContact CA-O 3.42Å; C128-L136 WeakPolarHBondContact CB-O 3.45Å; K129-L136 HydrophobicContact CG-CB 4.2Å; K129-L136 HydrophobicContact CG-CD2 4.5Å; K129-L136 PolarHBondContact N-O 2.81Å; K129-L136 PolarHBondContact O-N 3.38Å; Q131-L136 HydrophobicContact CB-CB 4.46Å; L136-D139 WeakPolarHBondContact CD2-OD1 3.39Å; L136-V142 HydrophobicContact CD1-CG2 3.76Å
137V97.7Very high96.9Very high1 Ų152.5 Ų52.51%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-114.6123.7-177.1-1720000108.8I121 I125 C128 I135 D139 D140 V141 I143 V163I121-V137 HydrophobicContact CD1-CG2 4.46Å; I121-V137 HydrophobicContact CG2-CG1 4.27Å; I121-V137 HydrophobicContact CG2-CG2 3.95Å; I125-V137 HydrophobicContact CB-CG1 4.5Å; I125-V137 HydrophobicContact CD1-CG1 3.93Å; I125-V137 HydrophobicContact CG2-CG1 3.97Å; C128-V137 HydrophobicContact CB-CB 4.45Å; C128-V137 HydrophobicContact CB-CG1 4.43Å; C128-V137 HydrophobicContact CB-CG2 4.16Å; I135-V137 HydrophobicContact CG2-CG2 3.88Å; V137-D139 PolarHBondContact O-N 2.9Å; V137-D139 VanDerWaalsContact O-N 3.08Å; V137-D140 PolarHBondContact O-N 3.02Å; V137-D140 VanDerWaalsContact O-N 3.08Å; V137-V141 HydrophobicContact CB-CB 4.46Å; V137-V141 PolarHBondContact N-O 2.82Å; V137-V141 PolarHBondContact O-N 2.78Å; V137-V141 VanDerWaalsContact O-N 3.08Å; V137-I143 HydrophobicContact CG2-CD1 4.25Å; V137-V163 HydrophobicContact CB-CG2 4.25Å; V137-V163 HydrophobicContact CG1-CG2 3.97Å
138M94.7Very high97Very high87 Ų8752.1 Ų52.143%0.42927%0.267SS..THydrogen-bonded Turntrans51.827.8-179.9-60.5172.958.700114.2I125 D127 D140I125-M138 HydrophobicContact CG2-CG 3.89Å; I125-M138 HydrophobicContact CG2-SD 4.2Å; D127-M138 HydrophobicContact CB-CG 4.3Å; D127-M138 PolarHBondContact O-N 3.05Å; M138-D140 PolarHBondContact O-N 3.15Å
139D94.1Very high97.1Very high93 Ų9352.1 Ų52.150%0.49727%0.268SS..THydrogen-bonded Turntrans548.9-172.4-72.1-44.9000115.9K129 L136 V137K129-D139 WeakPolarHBondContact CE-OD1 3.15Å; K129-D139 VanDerWaalsContact NZ-CG 3.29Å; K129-D139 IonicContact NZ-OD1 3.6Å; K129-D139 PolarHBondContact NZ-OD1 2.88Å; K129-D139 IonicContact NZ-OD2 2.64Å; K129-D139 PolarHBondContact NZ-OD2 3.39Å; K129-D139 VanDerWaalsContact NZ-OD2 3.09Å; L136-D139 WeakPolarHBondContact CD2-OD1 3.39Å; V137-D139 PolarHBondContact O-N 2.9Å; V137-D139 VanDerWaalsContact O-N 3.08Å
140D95Very high97.1Very high84 Ų8454.6 Ų54.645%0.44929%0.286SS..THydrogen-bonded Turntrans-113.5-29.3-172-83.3-22.4000113.1V137 M138 G154V137-D140 PolarHBondContact O-N 3.02Å; V137-D140 VanDerWaalsContact O-N 3.08Å; M138-D140 PolarHBondContact O-N 3.15Å; D140-G154 VanDerWaalsContact O-CA 3.3Å; D140-G154 WeakPolarHBondContact O-CA 3.2Å
141V98.1Very high97.1Very high2 Ų254.9 Ų54.91%0.01229%0.29CS..EExtended strand (participates in β ladder)trans-126.9124.8-175.1-175.70000110.7V137 C152 K153 A159 L160 V163V137-V141 HydrophobicContact CB-CB 4.46Å; V137-V141 PolarHBondContact N-O 2.82Å; V137-V141 PolarHBondContact O-N 2.78Å; V137-V141 VanDerWaalsContact O-N 3.08Å; V141-C152 HydrophobicContact CG1-CB 4.41Å; V141-K153 CarbonylContact C-O 3.54Å; V141-K153 WeakPolarHBondContact CA-O 3.49Å; V141-A159 HydrophobicContact CG2-CB 4.33Å; V141-L160 HydrophobicContact CG1-CD1 3.76Å; V141-L160 HydrophobicContact CG2-CB 4.32Å; V141-L160 HydrophobicContact CG2-CD1 4.37Å; V141-V163 HydrophobicContact CB-CG2 4.18Å; V141-V163 HydrophobicContact CG1-CB 4.04Å; V141-V163 HydrophobicContact CG1-CG1 3.82Å; V141-V163 HydrophobicContact CG1-CG2 4.2Å; V141-V163 HydrophobicContact CG2-CG2 4.17Å
142V98.4Very high97.2Very high41 Ų4150.4 Ų50.425%0.24827%0.269CS..EExtended strand (participates in β ladder)trans-104.6128.3175-179.50000109.2N134 I135 L136 C152 K153N134-V142 HydrophobicContact CB-CG1 3.82Å; I135-V142 CarbonylContact O-C 3.56Å; I135-V142 WeakPolarHBondContact O-CA 3.45Å; L136-V142 HydrophobicContact CD1-CG2 3.76Å; V142-C152 WeakPolarHBondContact O-CA 3.35Å; V142-K153 PolarHBondContact N-O 2.74Å; V142-K153 PolarHBondContact O-N 2.83Å
143I98.6Very high97.3Very high0 Ų050.5 Ų50.50%027%0.267CS..EExtended strand (participates in β ladder)trans-110.5115.7171.8-42.7173.8000107.7L117 I121 N134 I135 V137 Y147 V163 V167L117-I143 HydrophobicContact CD2-CG2 4.33Å; I121-I143 HydrophobicContact CD1-CD1 3.37Å; N134-I143 CarbonylContact C-O 3.56Å; N134-I143 WeakPolarHBondContact CA-O 3.36Å; I135-I143 HydrophobicContact CB-CB 4.17Å; I135-I143 HydrophobicContact CB-CD1 4.38Å; I135-I143 HydrophobicContact CB-CG1 4.47Å; I135-I143 HydrophobicContact CG2-CD1 4.45Å; I135-I143 PolarHBondContact N-O 2.87Å; I135-I143 PolarHBondContact O-N 3.08Å; V137-I143 HydrophobicContact CG2-CD1 4.25Å; I143-Y147 HydrophobicContact CG2-CD1 4.25Å; I143-V163 HydrophobicContact CD1-CG1 3.59Å; I143-V163 HydrophobicContact CG1-CG1 4.01Å; I143-V167 HydrophobicContact CD1-CG2 3.86Å
144S98.3Very high97.2Very high27 Ų2747.3 Ų47.319%0.18926%0.263CS..  trans-101.4155.3-178.750.90000111.6N134 Y147 N151N134-S144 WeakPolarHBondContact OD1-CA 3.36Å; N134-S144 WeakPolarHBondContact OD1-CB 3.4Å; S144-Y147 VanDerWaalsContact O-CA 3.25Å; S144-Y147 WeakPolarHBondContact O-CA 3.43Å; S144-Y147 PolarHBondContact O-N 3.1Å; S144-N151 PolarHBondContact N-O 3.08Å; S144-N151 WeakPolarHBondContact O-CB 3.48Å; S144-N151 PolarHBondContact OG-O 3.16Å
145P97.8Very high97Very high60 Ų6053.9 Ų53.939%0.3929%0.29SS..THydrogen-bonded Turntrans-50.3142.9168.7-20.726.3000111.8K133 N134 Y147K133-P145 HydrophobicContact CB-CG 4.23Å; N134-P145 WeakPolarHBondContact OD1-CD 3.49Å; P145-Y147 VanDerWaalsContact C-N 3.28Å; P145-Y147 VanDerWaalsContact CA-N 3.33Å; P145-Y147 HydrophobicContact CB-CD2 4.45Å; P145-Y147 HydrophobicContact CB-CE2 4Å; P145-Y147 HydrophobicContact CG-CE1 4.11Å; P145-Y147 HydrophobicContact CG-CE2 4.02Å; P145-Y147 WeakPolarHBondContact CG-OH 3.39Å
146P96.9Very high96.8Very high86 Ų8661.1 Ų61.156%0.55832%0.324SS*.THydrogen-bonded Turncis-83.426.82.835.3-38.6000115.1Q148 N151P146-Q148 VanDerWaalsContact C-N 3.31Å; P146-Q148 HydrophobicContact CG-CG 4.29Å; P146-Q148 PolarHBondContact O-N 3.2Å; P146-Q148 PolarHBondContact O-NE2 3.4Å; P146-N151 VanDerWaalsContact CD-OD1 3.3Å; P146-N151 WeakPolarHBondContact CD-OD1 3.39Å
147Y97.6Very high96.6Very high4 Ų462.1 Ų62.12%0.01634%0.338CS..  trans64.825.4170.6-49.2-76.8000115.6V110 K133 I135 I143 S144 P145 V167 F171V110-Y147 HydrophobicContact CG1-CE2 4.48Å; V110-Y147 WeakPolarHBondContact CG1-OH 3.37Å; K133-Y147 VanDerWaalsContact O-CE1 3.27Å; K133-Y147 WeakPolarHBondContact O-CE1 3.39Å; K133-Y147 PolarHBondContact O-OH 2.96Å; I135-Y147 HydrophobicContact CD1-CD1 4.21Å; I135-Y147 HydrophobicContact CD1-CE1 4.45Å; I135-Y147 HydrophobicContact CG1-CE1 4.36Å; I143-Y147 HydrophobicContact CG2-CD1 4.25Å; S144-Y147 VanDerWaalsContact O-CA 3.25Å; S144-Y147 WeakPolarHBondContact O-CA 3.43Å; S144-Y147 PolarHBondContact O-N 3.1Å; P145-Y147 VanDerWaalsContact C-N 3.28Å; P145-Y147 VanDerWaalsContact CA-N 3.33Å; P145-Y147 HydrophobicContact CB-CD2 4.45Å; P145-Y147 HydrophobicContact CB-CE2 4Å; P145-Y147 HydrophobicContact CG-CE1 4.11Å; P145-Y147 HydrophobicContact CG-CE2 4.02Å; P145-Y147 WeakPolarHBondContact CG-OH 3.39Å; Y147-V167 WeakPolarHBondContact O-CG1 3.44Å; Y147-F171 VanDerWaalsContact O-CE2 3.25Å; Y147-F171 WeakPolarHBondContact O-CE2 3.45Å
148Q97.4Very high96.4Very high78 Ų7867.1 Ų67.136%0.36437%0.373SS..  trans-80.7166.6174.5-56.5-56.7-50.300111.4P146 D150 N151 F171P146-Q148 VanDerWaalsContact C-N 3.31Å; P146-Q148 HydrophobicContact CG-CG 4.29Å; P146-Q148 PolarHBondContact O-N 3.2Å; P146-Q148 PolarHBondContact O-NE2 3.4Å; Q148-D150 PolarHBondContact O-N 3.42Å; Q148-N151 VanDerWaalsContact CB-OD1 3.3Å; Q148-N151 WeakPolarHBondContact CB-OD1 3.32Å; Q148-N151 PolarHBondContact N-OD1 3.37Å; Q148-N151 WeakPolarHBondContact O-CA 3.38Å; Q148-N151 WeakPolarHBondContact O-CB 3.3Å; Q148-N151 PolarHBondContact O-N 3.45Å; Q148-F171 VanDerWaalsContact NE2-CZ 3.25Å
149A96.4Very high96.4Very high14 Ų1464.4 Ų64.412%0.11637%0.365CS..G310 helixtrans-57-33.6178.100000112.6N151 C152 R164 V167 E168A149-N151 PolarHBondContact O-N 2.75Å; A149-C152 WeakPolarHBondContact O-CB 3.3Å; A149-C152 PolarHBondContact O-N 3.14Å; A149-R164 HydrophobicContact CB-CB 4.49Å; A149-R164 HydrophobicContact CB-CG 4.49Å; A149-R164 PolarHBondContact O-NE 3.22Å; A149-V167 HydrophobicContact CB-CG1 4.48Å; A149-E168 HydrophobicContact CB-CG 3.8Å
150D96.9Very high96.5Very high145 Ų14560 Ų6078%0.77534%0.341SS*.G310 helixtrans-71.6-18.3176.3-62.7-17.5000112.9Q148 C152Q148-D150 PolarHBondContact O-N 3.42Å; D150-C152 VanDerWaalsContact C-N 3.32Å
151N97.6Very high96.6Very high37 Ų3758.6 Ų58.620%0.19834%0.338CS..G310 helixtrans-88.10.2176.1-52.9121000113.3S144 P146 Q148 A149S144-N151 PolarHBondContact N-O 3.08Å; S144-N151 WeakPolarHBondContact O-CB 3.48Å; S144-N151 PolarHBondContact OG-O 3.16Å; P146-N151 VanDerWaalsContact CD-OD1 3.3Å; P146-N151 WeakPolarHBondContact CD-OD1 3.39Å; Q148-N151 VanDerWaalsContact CB-OD1 3.3Å; Q148-N151 WeakPolarHBondContact CB-OD1 3.32Å; Q148-N151 PolarHBondContact N-OD1 3.37Å; Q148-N151 WeakPolarHBondContact O-CA 3.38Å; Q148-N151 WeakPolarHBondContact O-CB 3.3Å; Q148-N151 PolarHBondContact O-N 3.45Å; A149-N151 PolarHBondContact O-N 2.75Å
152C97.7Very high96.5Very high1 Ų163.1 Ų63.11%0.00736%0.358CS..EExtended strand (participates in β ladder)trans-78.2119.9171.2-60.40000110.3V141 V142 A149 D150 L160 R164V141-C152 HydrophobicContact CG1-CB 4.41Å; V142-C152 WeakPolarHBondContact O-CA 3.35Å; A149-C152 WeakPolarHBondContact O-CB 3.3Å; A149-C152 PolarHBondContact O-N 3.14Å; D150-C152 VanDerWaalsContact C-N 3.32Å; C152-L160 HydrophobicContact CB-CD1 3.88Å; C152-R164 HydrophobicContact CB-CG 3.82Å; C152-R164 PolarHBondContact O-NH2 2.94Å
153K97.5Very high96.5Very high146 Ų14661.3 Ų61.364%0.63535%0.348SS*.EExtended strand (participates in β ladder)trans-121.8139.3177.2-62.4-175.6-179.3-179.80110.1V141 V142V141-K153 CarbonylContact C-O 3.54Å; V141-K153 WeakPolarHBondContact CA-O 3.49Å; V142-K153 PolarHBondContact N-O 2.74Å; V142-K153 PolarHBondContact O-N 2.83Å
154G95.8Very high96.4Very high35 Ų3564.8 Ų64.836%0.36136%0.361SS..EExtended strand (participates in β ladder)trans177.4-177179.700000110D140D140-G154 VanDerWaalsContact O-CA 3.3Å; D140-G154 WeakPolarHBondContact O-CA 3.2Å
155K94.4Very high96.4Very high175 Ų17570 Ų7076%0.76138%0.38SS*.SBendtrans-64.4137171.6-68.3177.5-177.5167.90109.8G157K155-G157 PolarHBondContact O-N 3.09Å
156E93.4Very high96.4Very high152 Ų15267.9 Ų67.971%0.7137%0.365SS*.THydrogen-bonded Turntrans-58.7131.7174.3-71.2-58.7147.500110.2
157G93.3Very high96.4Very high37 Ų3763.8 Ų63.838%0.38134%0.338SS..THydrogen-bonded Turntrans154.6-166.9-175.900000114.6K155 S161K155-G157 PolarHBondContact O-N 3.09Å; G157-S161 WeakPolarHBondContact O-CB 3.4Å; G157-S161 PolarHBondContact O-N 3.43Å; G157-S161 VanDerWaalsContact O-N 3.17Å; G157-S161 PolarHBondContact O-OG 3.12Å
158S94.2Very high96.5Very high105 Ų10567.4 Ų67.473%0.73436%0.356SS*.Hα-helixtrans-66-39-175.855.90000112.8S161 H162S158-S161 PolarHBondContact O-N 3.3Å; S158-H162 VanDerWaalsContact O-CB 3.25Å; S158-H162 WeakPolarHBondContact O-CB 3.25Å; S158-H162 PolarHBondContact O-N 3.43Å
159A94Very high96.5Very high31 Ų3169.3 Ų69.326%0.25636%0.363SS..Hα-helixtrans-60.8-54.2179.800000111.7V141 S161 H162 V163V141-A159 HydrophobicContact CG2-CB 4.33Å; A159-S161 VanDerWaalsContact C-N 3.33Å; A159-S161 PolarHBondContact O-N 3.36Å; A159-H162 PolarHBondContact O-N 2.98Å; A159-V163 WeakPolarHBondContact O-CG2 3.46Å; A159-V163 PolarHBondContact O-N 3.08Å
160L97.2Very high96.5Very high1 Ų169.1 Ų69.11%0.00536%0.359CS..Hα-helixtrans-59.2-44.3177.5-178.260.4000111.8V141 C152 H162 V163 R164V141-L160 HydrophobicContact CG1-CD1 3.76Å; V141-L160 HydrophobicContact CG2-CB 4.32Å; V141-L160 HydrophobicContact CG2-CD1 4.37Å; C152-L160 HydrophobicContact CB-CD1 3.88Å; L160-H162 VanDerWaalsContact C-N 3.33Å; L160-H162 PolarHBondContact O-N 3.01Å; L160-V163 PolarHBondContact O-N 3.28Å; L160-R164 WeakPolarHBondContact O-CG 3.34Å; L160-R164 PolarHBondContact O-N 3.36Å
161S97.2Very high96.5Very high53 Ų5364 Ų6437%0.37133%0.33SS..Hα-helixtrans-62.4-38.6177.4-60.80000112.5G157 S158 A159 K165G157-S161 WeakPolarHBondContact O-CB 3.4Å; G157-S161 PolarHBondContact O-N 3.43Å; G157-S161 VanDerWaalsContact O-N 3.17Å; G157-S161 PolarHBondContact O-OG 3.12Å; S158-S161 PolarHBondContact O-N 3.3Å; A159-S161 VanDerWaalsContact C-N 3.33Å; A159-S161 PolarHBondContact O-N 3.36Å; S161-K165 WeakPolarHBondContact O-CG 3.35Å; S161-K165 PolarHBondContact O-N 3.24Å
162H96Very high96.4Very high97 Ų9768.2 Ų68.245%0.44934%0.344SS..Hα-helixtrans-69.8-45.4178.3-172.265.6000111.4S158 A159 L160 R164 K165 I166S158-H162 VanDerWaalsContact O-CB 3.25Å; S158-H162 WeakPolarHBondContact O-CB 3.25Å; S158-H162 PolarHBondContact O-N 3.43Å; A159-H162 PolarHBondContact O-N 2.98Å; L160-H162 VanDerWaalsContact C-N 3.33Å; L160-H162 PolarHBondContact O-N 3.01Å; H162-R164 PolarHBondContact O-N 3Å; H162-K165 WeakPolarHBondContact O-CB 3.25Å; H162-K165 PolarHBondContact O-N 3.31Å; H162-I166 WeakPolarHBondContact O-CG1 3.39Å; H162-I166 PolarHBondContact O-N 3.34Å
163V97.4Very high96.3Very high4 Ų471.2 Ų71.22%0.02436%0.359CS..Hα-helixtrans-60.1-46.5176.5173.50000110.8V137 V141 I143 A159 L160 K165 I166 V167V137-V163 HydrophobicContact CB-CG2 4.25Å; V137-V163 HydrophobicContact CG1-CG2 3.97Å; V141-V163 HydrophobicContact CB-CG2 4.18Å; V141-V163 HydrophobicContact CG1-CB 4.04Å; V141-V163 HydrophobicContact CG1-CG1 3.82Å; V141-V163 HydrophobicContact CG1-CG2 4.2Å; V141-V163 HydrophobicContact CG2-CG2 4.17Å; I143-V163 HydrophobicContact CD1-CG1 3.59Å; I143-V163 HydrophobicContact CG1-CG1 4.01Å; A159-V163 WeakPolarHBondContact O-CG2 3.46Å; A159-V163 PolarHBondContact O-N 3.08Å; L160-V163 PolarHBondContact O-N 3.28Å; V163-K165 VanDerWaalsContact C-N 3.33Å; V163-K165 PolarHBondContact O-N 2.96Å; V163-I166 WeakPolarHBondContact O-CB 3.4Å; V163-I166 PolarHBondContact O-N 3.44Å; V163-I166 VanDerWaalsContact O-N 3.09Å; V163-V167 HydrophobicContact CG1-CG2 4.35Å; V163-V167 WeakPolarHBondContact O-CG2 3.33Å; V163-V167 PolarHBondContact O-N 2.95Å
164R97.9Very high96.2Very high73 Ų7365.4 Ų65.428%0.27534%0.336SS..Hα-helixtrans-55.1-45.9174.8-75.9-176.5179144.15.9112.3A149 C152 L160 H162 I166 V167 E168A149-R164 HydrophobicContact CB-CB 4.49Å; A149-R164 HydrophobicContact CB-CG 4.49Å; A149-R164 PolarHBondContact O-NE 3.22Å; C152-R164 HydrophobicContact CB-CG 3.82Å; C152-R164 PolarHBondContact O-NH2 2.94Å; L160-R164 WeakPolarHBondContact O-CG 3.34Å; L160-R164 PolarHBondContact O-N 3.36Å; H162-R164 PolarHBondContact O-N 3Å; R164-I166 VanDerWaalsContact C-N 3.32Å; R164-I166 PolarHBondContact O-N 3.45Å; R164-V167 PolarHBondContact O-N 3.39Å; R164-V167 VanDerWaalsContact O-N 3.16Å; R164-E168 WeakPolarHBondContact O-CG 3.33Å; R164-E168 PolarHBondContact O-N 2.82Å
165K97.7Very high96Very high135 Ų13570 Ų7059%0.58735%0.348SS*.Hα-helixtrans-60.1-38.9176.4-74.3173.8-177177.40113S161 H162 V163 K169S161-K165 WeakPolarHBondContact O-CG 3.35Å; S161-K165 PolarHBondContact O-N 3.24Å; H162-K165 WeakPolarHBondContact O-CB 3.25Å; H162-K165 PolarHBondContact O-N 3.31Å; V163-K165 VanDerWaalsContact C-N 3.33Å; V163-K165 PolarHBondContact O-N 2.96Å; K165-K169 VanDerWaalsContact O-CB 3.24Å; K165-K169 WeakPolarHBondContact O-CB 3.22Å; K165-K169 PolarHBondContact O-N 3.17Å
166I97.6Very high96.1Very high16 Ų1669 Ų698%0.08234%0.339CS..Hα-helixtrans-64.3-46.4175.5-66.1167.9000110.1I121 T124 I125 H162 V163 R164 K169 H170I121-I166 HydrophobicContact CG1-CG2 3.96Å; T124-I166 HydrophobicContact CG2-CD1 4.15Å; I125-I166 HydrophobicContact CD1-CD1 3.67Å; I125-I166 HydrophobicContact CG1-CD1 4.33Å; H162-I166 WeakPolarHBondContact O-CG1 3.39Å; H162-I166 PolarHBondContact O-N 3.34Å; V163-I166 WeakPolarHBondContact O-CB 3.4Å; V163-I166 PolarHBondContact O-N 3.44Å; V163-I166 VanDerWaalsContact O-N 3.09Å; R164-I166 VanDerWaalsContact C-N 3.32Å; R164-I166 PolarHBondContact O-N 3.45Å; I166-K169 PolarHBondContact O-N 3.28Å; I166-H170 WeakPolarHBondContact O-CB 3.31Å; I166-H170 PolarHBondContact O-N 2.94Å
167V97.9Very high96Very high0 Ų067.3 Ų67.30%033%0.332CS..Hα-helixtrans-60.8-49.1179.3177.90000111L117 I143 Y147 A149 V163 R164 K169 H170 F171L117-V167 HydrophobicContact CD1-CB 4.38Å; L117-V167 HydrophobicContact CD1-CG1 4.36Å; L117-V167 HydrophobicContact CD1-CG2 4.09Å; L117-V167 HydrophobicContact CD2-CG1 4.24Å; L117-V167 HydrophobicContact CD2-CG2 4.18Å; I143-V167 HydrophobicContact CD1-CG2 3.86Å; Y147-V167 WeakPolarHBondContact O-CG1 3.44Å; A149-V167 HydrophobicContact CB-CG1 4.48Å; V163-V167 HydrophobicContact CG1-CG2 4.35Å; V163-V167 WeakPolarHBondContact O-CG2 3.33Å; V163-V167 PolarHBondContact O-N 2.95Å; R164-V167 PolarHBondContact O-N 3.39Å; R164-V167 VanDerWaalsContact O-N 3.16Å; V167-K169 VanDerWaalsContact C-N 3.34Å; V167-K169 PolarHBondContact O-N 3.29Å; V167-H170 WeakPolarHBondContact O-CB 3.49Å; V167-H170 PolarHBondContact O-N 2.94Å; V167-F171 HydrophobicContact CG1-CD2 3.98Å; V167-F171 HydrophobicContact CG1-CE2 3.69Å; V167-F171 VanDerWaalsContact O-CD2 3.22Å; V167-F171 WeakPolarHBondContact O-CD2 3.3Å; V167-F171 PolarHBondContact O-N 3.41Å; V167-F171 VanDerWaalsContact O-N 3.17Å
168E97.9Very high95.8Very high80 Ų8071 Ų7137%0.37434%0.337SS..Hα-helixtrans-60.3-44176.6-68.5170.4-164.500112.3A149 R164 H170 F171 R172A149-E168 HydrophobicContact CB-CG 3.8Å; R164-E168 WeakPolarHBondContact O-CG 3.33Å; R164-E168 PolarHBondContact O-N 2.82Å; E168-H170 VanDerWaalsContact C-N 3.3Å; E168-H170 PolarHBondContact O-N 2.88Å; E168-F171 PolarHBondContact O-N 3.21Å; E168-R172 WeakPolarHBondContact O-CG 3.45Å; E168-R172 PolarHBondContact O-N 3.2Å; E168-R172 IonicContact OE2-NH1 3.93Å; E168-R172 PolarHBondContact OE2-NH1 3.16Å
169K97.5Very high95.7Very high119 Ų11969 Ų6952%0.51732%0.323SS..Hα-helixtrans-60.8-43.6177.3-178.5-176.7174-173.30110.6K165 I166 V167 F171 R172 D173K165-K169 VanDerWaalsContact O-CB 3.24Å; K165-K169 WeakPolarHBondContact O-CB 3.22Å; K165-K169 PolarHBondContact O-N 3.17Å; I166-K169 PolarHBondContact O-N 3.28Å; V167-K169 VanDerWaalsContact C-N 3.34Å; V167-K169 PolarHBondContact O-N 3.29Å; K169-F171 PolarHBondContact O-N 3.27Å; K169-R172 PolarHBondContact O-N 2.82Å; K169-D173 VanDerWaalsContact CE-OD2 3.31Å; K169-D173 WeakPolarHBondContact CE-OD2 3.47Å; K169-D173 WeakPolarHBondContact CG-OD2 3.45Å; K169-D173 WeakPolarHBondContact O-CB 3.41Å; K169-D173 VanDerWaalsContact O-CG 3.28Å; K169-D173 PolarHBondContact O-N 2.97Å
170H97.3Very high95.5Very high9 Ų972.4 Ų72.44%0.04234%0.335CS..Hα-helixtrans-54.2-52.6177.9173.267.5000111.5L117 T120 I166 V167 E168 D173 V174L117-H170 HydrophobicContact CD1-CB 3.74Å; T120-H170 HydrophobicContact CG2-CB 4.14Å; T120-H170 PolarHBondContact OG1-CE1 3.45Å; T120-H170 PolarHBondContact OG1-ND1 2.97Å; I166-H170 WeakPolarHBondContact O-CB 3.31Å; I166-H170 PolarHBondContact O-N 2.94Å; V167-H170 WeakPolarHBondContact O-CB 3.49Å; V167-H170 PolarHBondContact O-N 2.94Å; E168-H170 VanDerWaalsContact C-N 3.3Å; E168-H170 PolarHBondContact O-N 2.88Å; H170-D173 PolarHBondContact O-N 3.41Å; H170-V174 VanDerWaalsContact O-CG2 3.32Å; H170-V174 WeakPolarHBondContact O-CG2 3.25Å; H170-V174 PolarHBondContact O-N 3.41Å
171F96.5Very high95Very high37 Ų3778.4 Ų78.416%0.16236%0.363CS..Hα-helixtrans-65.3-41.9-180-73-71.8000112.6Y147 Q148 V167 E168 K169 D173 V174 E175Y147-F171 VanDerWaalsContact O-CE2 3.25Å; Y147-F171 WeakPolarHBondContact O-CE2 3.45Å; Q148-F171 VanDerWaalsContact NE2-CZ 3.25Å; V167-F171 HydrophobicContact CG1-CD2 3.98Å; V167-F171 HydrophobicContact CG1-CE2 3.69Å; V167-F171 VanDerWaalsContact O-CD2 3.22Å; V167-F171 WeakPolarHBondContact O-CD2 3.3Å; V167-F171 PolarHBondContact O-N 3.41Å; V167-F171 VanDerWaalsContact O-N 3.17Å; E168-F171 PolarHBondContact O-N 3.21Å; K169-F171 PolarHBondContact O-N 3.27Å; F171-D173 VanDerWaalsContact C-N 3.3Å; F171-D173 PolarHBondContact O-N 3.27Å; F171-V174 PolarHBondContact O-N 2.94Å; F171-E175 WeakPolarHBondContact O-CG 3.44Å; F171-E175 PolarHBondContact O-N 3.35Å
172R96.6Very high94.5Very high127 Ų12784.6 Ų84.648%0.47938%0.378SS..Hα-helixtrans-58.5-40.9174.2-72.5-171.8-59.9-106.7-2.7112.5E168 K169 R176E168-R172 WeakPolarHBondContact O-CG 3.45Å; E168-R172 PolarHBondContact O-N 3.2Å; E168-R172 IonicContact OE2-NH1 3.93Å; E168-R172 PolarHBondContact OE2-NH1 3.16Å; K169-R172 PolarHBondContact O-N 2.82Å; R172-R176 WeakPolarHBondContact O-CB 3.48Å; R172-R176 PolarHBondContact O-N 3.18Å
173D95.3Very high94.1Very high63 Ų6383.2 Ų83.234%0.33738%0.38SS..Hα-helixtrans-70.8-40.1179.8-72.2-14.1000111.1K169 H170 F171 R176 Q177K169-D173 VanDerWaalsContact CE-OD2 3.31Å; K169-D173 WeakPolarHBondContact CE-OD2 3.47Å; K169-D173 WeakPolarHBondContact CG-OD2 3.45Å; K169-D173 WeakPolarHBondContact O-CB 3.41Å; K169-D173 VanDerWaalsContact O-CG 3.28Å; K169-D173 PolarHBondContact O-N 2.97Å; H170-D173 PolarHBondContact O-N 3.41Å; F171-D173 VanDerWaalsContact C-N 3.3Å; F171-D173 PolarHBondContact O-N 3.27Å; D173-R176 PolarHBondContact O-N 3.32Å; D173-Q177 WeakPolarHBondContact O-CG 3.39Å; D173-Q177 PolarHBondContact O-N 2.85Å
174V94.2Very high93.2Very high24 Ų2489.2 Ų89.215%0.14541%0.407CS..Hα-helixtrans-63.4-44.1175.3168.90000111.5L116 H170 F171 Q177 K178L116-V174 HydrophobicContact CD2-CG2 3.81Å; H170-V174 VanDerWaalsContact O-CG2 3.32Å; H170-V174 WeakPolarHBondContact O-CG2 3.25Å; H170-V174 PolarHBondContact O-N 3.41Å; F171-V174 PolarHBondContact O-N 2.94Å; V174-Q177 PolarHBondContact O-N 3.09Å; V174-K178 HydrophobicContact CG1-CD 4.22Å; V174-K178 WeakPolarHBondContact O-CG 3.38Å; V174-K178 PolarHBondContact O-N 3.08Å
175E93.4Very high92.3Very high131 Ų13188.2 Ų88.261%0.61242%0.415SS*.Hα-helixtrans-62.6-43.6176.3-74.3179.2162.200111.9F171 Q177 K178 S179F171-E175 WeakPolarHBondContact O-CG 3.44Å; F171-E175 PolarHBondContact O-N 3.35Å; E175-Q177 VanDerWaalsContact C-N 3.34Å; E175-Q177 PolarHBondContact O-N 3.39Å; E175-K178 PolarHBondContact O-N 3.38Å; E175-S179 PolarHBondContact O-N 3.16Å
176R94.8Very high91.3Very high154 Ų15487.8 Ų87.858%0.58142%0.415SS*.Hα-helixtrans-60.8-42175.7-174.7-172.3-59.4-125-1.2112R172 D173 S179 M180R172-R176 WeakPolarHBondContact O-CB 3.48Å; R172-R176 PolarHBondContact O-N 3.18Å; D173-R176 PolarHBondContact O-N 3.32Å; R176-S179 PolarHBondContact O-N 3.24Å; R176-S179 PolarHBondContact O-OG 3.06Å; R176-M180 HydrophobicContact CG-CE 3.74Å; R176-M180 HydrophobicContact CG-SD 4.38Å; R176-M180 VanDerWaalsContact O-CG 3.32Å; R176-M180 WeakPolarHBondContact O-CG 3.35Å; R176-M180 PolarHBondContact O-N 3.13Å; R176-M180 VanDerWaalsContact O-N 3.11Å
177Q91.7Very high90.1Very high118 Ų11893 Ų9355%0.55144%0.439SS*.Hα-helixtrans-66.6-42.3176.7-74.8177.8-3.400111.7D173 V174 E175 S179 M180 Q181D173-Q177 WeakPolarHBondContact O-CG 3.39Å; D173-Q177 PolarHBondContact O-N 2.85Å; V174-Q177 PolarHBondContact O-N 3.09Å; E175-Q177 VanDerWaalsContact C-N 3.34Å; E175-Q177 PolarHBondContact O-N 3.39Å; Q177-S179 VanDerWaalsContact C-N 3.33Å; Q177-S179 PolarHBondContact O-N 2.77Å; Q177-M180 PolarHBondContact O-N 3.1Å; Q177-Q181 WeakPolarHBondContact O-CG 3.44Å; Q177-Q181 PolarHBondContact O-N 3.48Å
178K90.6Very high88.8Confident115 Ų11597.4 Ų97.450%0.547%0.466SS..Hα-helixtrans-61-40.1176-76.2177.2179.4177.40112V174 E175 R182V174-K178 HydrophobicContact CG1-CD 4.22Å; V174-K178 WeakPolarHBondContact O-CG 3.38Å; V174-K178 PolarHBondContact O-N 3.08Å; E175-K178 PolarHBondContact O-N 3.38Å; K178-R182 WeakPolarHBondContact O-CG 3.32Å; K178-R182 PolarHBondContact O-N 3.35Å; K178-R182 VanDerWaalsContact O-N 3.12Å
179S90.9Very high87.3Confident62 Ų62100.1 Ų100.143%0.43448%0.478SS..Hα-helixtrans-67.9-43177.868.40000112E175 R176 Q177 Q181 R182 S183E175-S179 PolarHBondContact O-N 3.16Å; R176-S179 PolarHBondContact O-N 3.24Å; R176-S179 PolarHBondContact O-OG 3.06Å; Q177-S179 VanDerWaalsContact C-N 3.33Å; Q177-S179 PolarHBondContact O-N 2.77Å; S179-Q181 PolarHBondContact O-N 3.13Å; S179-R182 PolarHBondContact O-N 3.06Å; S179-S183 PolarHBondContact O-N 2.9Å; S179-S183 PolarHBondContact O-OG 2.94Å
180M89.3Confident85.8Confident103 Ų103101.2 Ų101.251%0.50748%0.483SS..Hα-helixtrans-60.3-43.6175.4-71.8175.1179.100112.4R176 Q177 S183 Q184R176-M180 HydrophobicContact CG-CE 3.74Å; R176-M180 HydrophobicContact CG-SD 4.38Å; R176-M180 VanDerWaalsContact O-CG 3.32Å; R176-M180 WeakPolarHBondContact O-CG 3.35Å; R176-M180 PolarHBondContact O-N 3.13Å; R176-M180 VanDerWaalsContact O-N 3.11Å; Q177-M180 PolarHBondContact O-N 3.1Å; M180-S183 PolarHBondContact O-N 3.47Å; M180-Q184 WeakPolarHBondContact O-CG 3.35Å; M180-Q184 PolarHBondContact O-N 3.16Å
181Q86.9Confident84.1Confident126 Ų126105.1 Ų105.159%0.58950%0.504SS*.Hα-helixtrans-63.6-40.8177.6-74.7175.34.700112.3Q177 S179 Q184 A185Q177-Q181 WeakPolarHBondContact O-CG 3.44Å; Q177-Q181 PolarHBondContact O-N 3.48Å; S179-Q181 PolarHBondContact O-N 3.13Å; Q181-Q184 PolarHBondContact O-N 3.05Å; Q181-A185 WeakPolarHBondContact O-CB 3.38Å; Q181-A185 PolarHBondContact O-N 3.11Å
182R87.7Confident82.7Confident183 Ų183107.4 Ų107.469%0.69152%0.522SS*.Hα-helixtrans-62.4-43.9175.6-75.4178.8-176.5-152.60.7111.9K178 S179 A185 Q186K178-R182 WeakPolarHBondContact O-CG 3.32Å; K178-R182 PolarHBondContact O-N 3.35Å; K178-R182 VanDerWaalsContact O-N 3.12Å; S179-R182 PolarHBondContact O-N 3.06Å; R182-A185 PolarHBondContact O-N 2.92Å; R182-Q186 WeakPolarHBondContact O-CG 3.37Å; R182-Q186 PolarHBondContact O-N 3.46Å; R182-Q186 VanDerWaalsContact O-N 3.08Å
183S86Confident81.1Confident69 Ų69106.1 Ų106.148%0.48353%0.528SS..Hα-helixtrans-63-42.2178.2-59.20000112.2S179 M180 Q186 Q187S179-S183 PolarHBondContact O-N 2.9Å; S179-S183 PolarHBondContact O-OG 2.94Å; M180-S183 PolarHBondContact O-N 3.47Å; S183-Q186 PolarHBondContact O-N 3.07Å; S183-Q187 PolarHBondContact O-N 3.04Å; S183-Q187 VanDerWaalsContact O-N 3.13Å
184Q79.2Confident79.4Confident130 Ų130109.9 Ų109.961%0.60755%0.547SS*.Hα-helixtrans-65.1-45.1177-73.7179.14.300112.1M180 Q181 Q186 Q187 T188M180-Q184 WeakPolarHBondContact O-CG 3.35Å; M180-Q184 PolarHBondContact O-N 3.16Å; Q181-Q184 PolarHBondContact O-N 3.05Å; Q184-Q186 VanDerWaalsContact C-N 3.32Å; Q184-Q186 PolarHBondContact O-N 3.46Å; Q184-Q187 PolarHBondContact O-N 2.88Å; Q184-Q187 VanDerWaalsContact O-N 3.13Å; Q184-T188 PolarHBondContact O-N 3.18Å; Q184-T188 PolarHBondContact O-OG1 3.39Å; Q184-T188 VanDerWaalsContact O-OG1 3.08Å
185A78.9Confident77.8Confident52 Ų52113.9 Ų113.943%0.4358%0.576SS.*Hα-helixtrans-61.9-38.5178.700000112.6Q181 R182 Q187 Q189Q181-A185 WeakPolarHBondContact O-CB 3.38Å; Q181-A185 PolarHBondContact O-N 3.11Å; R182-A185 PolarHBondContact O-N 2.92Å; A185-Q187 VanDerWaalsContact C-N 3.33Å; A185-Q189 WeakPolarHBondContact O-CG 3.24Å; A185-Q189 PolarHBondContact O-N 3.36Å; A185-Q189 VanDerWaalsContact O-N 3.09Å
186Q76.5Confident75.7Confident125 Ų125115.1 Ų115.158%0.58460%0.599SS**Hα-helixtrans-67.6-32.9175.5-73.9176.9-1300112.6R182 S183 Q184 K190R182-Q186 WeakPolarHBondContact O-CG 3.37Å; R182-Q186 PolarHBondContact O-N 3.46Å; R182-Q186 VanDerWaalsContact O-N 3.08Å; S183-Q186 PolarHBondContact O-N 3.07Å; Q184-Q186 VanDerWaalsContact C-N 3.32Å; Q184-Q186 PolarHBondContact O-N 3.46Å; Q186-K190 WeakPolarHBondContact O-CG 3.44Å; Q186-K190 PolarHBondContact O-N 2.97Å
187Q72.5Confident74.8Confident126 Ų126113.2 Ų113.259%0.58960%0.6SS**Hα-helixtrans-71.7-45.6176.9-164.5165.110.100111.2S183 Q184 A185 Q189 K190 D191S183-Q187 PolarHBondContact O-N 3.04Å; S183-Q187 VanDerWaalsContact O-N 3.13Å; Q184-Q187 PolarHBondContact O-N 2.88Å; Q184-Q187 VanDerWaalsContact O-N 3.13Å; A185-Q187 VanDerWaalsContact C-N 3.33Å; Q187-Q189 VanDerWaalsContact C-N 3.32Å; Q187-Q189 PolarHBondContact O-N 3.39Å; Q187-K190 PolarHBondContact O-N 3.48Å; Q187-K190 VanDerWaalsContact O-N 3.16Å; Q187-D191 PolarHBondContact O-N 3.32Å
188T71.9Confident73.9Confident92 Ų92112.9 Ų112.956%0.56460%0.603SS**Hα-helixtrans-61.6-37.6176.1-50.10000112.7Q184 T192Q184-T188 PolarHBondContact O-N 3.18Å; Q184-T188 PolarHBondContact O-OG1 3.39Å; Q184-T188 VanDerWaalsContact O-OG1 3.08Å; T188-T192 PolarHBondContact O-N 3.04Å; T188-T192 VanDerWaalsContact O-N 3.14Å; T188-T192 PolarHBondContact O-OG1 3.19Å
189Q66.7Low72.9Confident137 Ų137112.8 Ų112.864%0.6461%0.608SS**Hα-helixtrans-65.7-40.4174.9-78.2-178.7-6.100112.5A185 Q187 T192 T193A185-Q189 WeakPolarHBondContact O-CG 3.24Å; A185-Q189 PolarHBondContact O-N 3.36Å; A185-Q189 VanDerWaalsContact O-N 3.09Å; Q187-Q189 VanDerWaalsContact C-N 3.32Å; Q187-Q189 PolarHBondContact O-N 3.39Å; Q189-T192 PolarHBondContact O-N 2.98Å; Q189-T193 WeakPolarHBondContact O-CG2 3.35Å; Q189-T193 PolarHBondContact O-N 2.89Å; Q189-T193 VanDerWaalsContact O-N 3.1Å; Q189-T193 PolarHBondContact O-OG1 3.36Å
190K64.1Low71.9Confident143 Ų143115.8 Ų115.862%0.62262%0.619SS**Hα-helixtrans-63.3-45.4176.4-77.6-179.2178.8-175.90112.1Q186 Q187 T192 T193 L194Q186-K190 WeakPolarHBondContact O-CG 3.44Å; Q186-K190 PolarHBondContact O-N 2.97Å; Q187-K190 PolarHBondContact O-N 3.48Å; Q187-K190 VanDerWaalsContact O-N 3.16Å; K190-T192 VanDerWaalsContact C-N 3.28Å; K190-T192 PolarHBondContact O-N 3.21Å; K190-T193 WeakPolarHBondContact CA-OG1 3.47Å; K190-T193 PolarHBondContact O-N 3.37Å; K190-T193 PolarHBondContact O-OG1 2.83Å; K190-L194 WeakPolarHBondContact O-CD1 3.39Å; K190-L194 PolarHBondContact O-N 2.85Å; K190-L194 VanDerWaalsContact O-N 3.1Å
191D63.3Low70.8Confident91 Ų91116.6 Ų116.649%0.48763%0.626SS.*Hα-helixtrans-65.4-33-179.5-65.8-23.2000112.2Q187 S195Q187-D191 PolarHBondContact O-N 3.32Å; D191-S195 PolarHBondContact O-N 3.42Å; D191-S195 PolarHBondContact O-OG 3.43Å
192T65.4Low69.7Low85 Ų85115.9 Ų115.952%0.52163%0.628SS.*Hα-helixtrans-69.9-39.7175.4-51.20000111.7T188 Q189 K190 L194 S195 S196T188-T192 PolarHBondContact O-N 3.04Å; T188-T192 VanDerWaalsContact O-N 3.14Å; T188-T192 PolarHBondContact O-OG1 3.19Å; Q189-T192 PolarHBondContact O-N 2.98Å; K190-T192 VanDerWaalsContact C-N 3.28Å; K190-T192 PolarHBondContact O-N 3.21Å; T192-L194 VanDerWaalsContact C-N 3.35Å; T192-S195 PolarHBondContact O-N 3.17Å; T192-S196 PolarHBondContact O-OG 3.29Å
193T63.3Low68.4Low99 Ų99111.1 Ų111.161%0.60762%0.624SS**Hα-helixtrans-73-23.5178.752.80000114.2Q189 K190Q189-T193 WeakPolarHBondContact O-CG2 3.35Å; Q189-T193 PolarHBondContact O-N 2.89Å; Q189-T193 VanDerWaalsContact O-N 3.1Å; Q189-T193 PolarHBondContact O-OG1 3.36Å; K190-T193 WeakPolarHBondContact CA-OG1 3.47Å; K190-T193 PolarHBondContact O-N 3.37Å; K190-T193 PolarHBondContact O-OG1 2.83Å
194L60.3Low67.1Low142 Ų142114.4 Ų114.474%0.74364%0.635SS**Hα-helixtrans-85-15.8177.2-83152.6000113.2K190 T192K190-L194 WeakPolarHBondContact O-CD1 3.39Å; K190-L194 PolarHBondContact O-N 2.85Å; K190-L194 VanDerWaalsContact O-N 3.1Å; T192-L194 VanDerWaalsContact C-N 3.35Å
195S60.4Low66.1Low109 Ų109113.1 Ų113.176%0.76264%0.637SS**  trans-101.45.1-179.2-54.60000113.5D191 T192D191-S195 PolarHBondContact O-N 3.42Å; D191-S195 PolarHBondContact O-OG 3.43Å; T192-S195 PolarHBondContact O-N 3.17Å
196S49.4Very low64.9Low156 Ų156118.6 Ų118.6100%1.09166%0.656SS**  trans-110.50175.2-54.40000110.2T192T192-S196 PolarHBondContact O-OG 3.29Å

Retrieved 196 of 196 residues in 1455 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).