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Peptidyl-prolyl cis-trans isomerase

PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession A0A060VWX8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ppil4, Length 458 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M81.6Confident91.3Very high70 Ų7036.4 Ų36.435%0.34521%0.205SC..  0126.50-60.1179.8-165.200107.7D15 L16 T18 P165M1-D15 CarbonylContact O-C 3.48Å; M1-D15 WeakPolarHBondContact O-CA 3.42Å; M1-L16 PolarHBondContact O-N 3.08Å; M1-T18 HydrophobicContact CB-CG2 4.15Å; M1-T18 HydrophobicContact CE-CG2 4.38Å; M1-T18 WeakPolarHBondContact CE-OG1 3.5Å; M1-T18 HydrophobicContact CG-CG2 4.3Å; M1-T18 WeakPolarHBondContact SD-CB 3.34Å; M1-T18 HydrophobicContact SD-CG2 3.2Å; M1-T18 WeakPolarHBondContact SD-CG2 3.11Å; M1-T18 PolarHBondContact SD-OG1 3.02Å; M1-P165 HydrophobicContact CE-CB 3.48Å; M1-P165 VanDerWaalsContact CE-CB 3.48Å; M1-P165 HydrophobicContact CE-CG 3.76Å; M1-P165 HydrophobicContact SD-CB 3.56Å; M1-P165 VanDerWaalsContact SD-CB 3.56Å; M1-P165 VanDerWaalsContact SD-CD 3.51Å; M1-P165 HydrophobicContact SD-CG 3.19Å; M1-P165 WeakPolarHBondContact SD-CG 3.43Å
2A89.2Confident91.7Very high12 Ų1233.7 Ų33.710%0.09919%0.189CC..EExtended strand (participates in β ladder)trans-133.6145.1-163.800000113.1V13 I14 D15 L162A2-V13 HydrophobicContact CB-CG1 3.97Å; A2-I14 CarbonylContact C-O 3.51Å; A2-I14 VanDerWaalsContact CA-O 3.24Å; A2-I14 WeakPolarHBondContact CA-O 3.37Å; A2-D15 WeakPolarHBondContact CB-OD1 3.48Å; A2-L162 HydrophobicContact CB-CB 4.42Å; A2-L162 HydrophobicContact CB-CD1 3.86Å; A2-L162 WeakPolarHBondContact O-CB 3.27Å; A2-L162 PolarHBondContact O-N 3.24Å; A2-L162 VanDerWaalsContact O-N 3.07Å
3V93.4Very high92Very high0 Ų032.5 Ų32.50%018%0.183CC..EExtended strand (participates in β ladder)trans-122.6129.4172.2179.80000108.3L5 I14 L16 F28 L29 I161V3-L5 HydrophobicContact CG1-CD2 4.04Å; V3-I14 PolarHBondContact N-O 3.24Å; V3-I14 PolarHBondContact O-N 3.32Å; V3-L16 HydrophobicContact CG2-CD1 3.88Å; V3-F28 HydrophobicContact CB-CE1 3.99Å; V3-F28 HydrophobicContact CG1-CE1 4.07Å; V3-F28 HydrophobicContact CG2-CD1 4.35Å; V3-F28 HydrophobicContact CG2-CE1 3.94Å; V3-L29 HydrophobicContact CG2-CD2 3.49Å; V3-L29 VanDerWaalsContact CG2-CD2 3.49Å; V3-I161 HydrophobicContact CG2-CG1 4.44Å
4L94.1Very high92.3Very high32 Ų3230.1 Ų30.117%0.16817%0.17CC..EExtended strand (participates in β ladder)trans-93.2122.5173.5170.970.7000108.9D11 V13 T159 V160 L162L4-D11 HydrophobicContact CD1-CB 3.86Å; L4-V13 HydrophobicContact CD1-CG2 3.78Å; L4-T159 WeakPolarHBondContact O-CA 3.48Å; L4-V160 HydrophobicContact CB-CB 4.16Å; L4-V160 HydrophobicContact CD2-CB 4.25Å; L4-V160 HydrophobicContact CD2-CG2 4.38Å; L4-V160 PolarHBondContact N-O 3.34Å; L4-V160 PolarHBondContact O-N 3.46Å; L4-L162 HydrophobicContact CB-CG 4.46Å
5L94.3Very high92.4Very high4 Ų431.8 Ų31.82%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-103.6111.1171.1-56.7-175.5000108.5V3 T7 I12 I14 F28 F108 I156 T159V3-L5 HydrophobicContact CG1-CD2 4.04Å; L5-T7 PolarHBondContact O-N 3.27Å; L5-I12 PolarHBondContact N-O 3.31Å; L5-I12 PolarHBondContact O-N 3.01Å; L5-I14 HydrophobicContact CD1-CD1 3.46Å; L5-I14 VanDerWaalsContact CD1-CD1 3.46Å; L5-I14 HydrophobicContact CD1-CG1 4.5Å; L5-I14 HydrophobicContact CG-CD1 4.08Å; L5-F28 HydrophobicContact CD2-CZ 4.46Å; L5-F108 HydrophobicContact CD1-CE2 4.47Å; L5-F108 HydrophobicContact CD1-CZ 4.16Å; L5-I156 HydrophobicContact CD1-CD1 4.49Å; L5-I156 HydrophobicContact CD2-CG2 4.48Å; L5-T159 HydrophobicContact CD2-CG2 3.43Å; L5-T159 VanDerWaalsContact CD2-CG2 3.43Å
6E92.9Very high92.5Very high67 Ų6730.4 Ų30.431%0.31317%0.17SC..EExtended strand (participates in β ladder)trans-82.2110.5171-64.5172.8-154.700107.6I156 N157 H158E6-I156 CarbonylContact O-C 3.59Å; E6-N157 PolarHBondContact O-N 3.28Å; E6-H158 HydrophobicContact CB-CB 4.1Å; E6-H158 HydrophobicContact CG-CB 4.4Å; E6-H158 PolarHBondContact N-O 3.02Å; E6-H158 PolarHBondContact O-N 2.78Å; E6-H158 IonicContact OE1-ND1 2.71Å; E6-H158 PolarHBondContact OE1-ND1 3.14Å; E6-H158 WeakPolarHBondContact OE2-CB 3.24Å; E6-H158 IonicContact OE2-CG 3.42Å; E6-H158 IonicContact OE2-ND1 2.9Å
7T92.5Very high92.6Very high11 Ų1130.9 Ų30.97%0.06717%0.17CC..EExtended strand (participates in β ladder)trans-105.3168.3177780000110.9L5 L9 G10 I12 R155 I156L5-T7 PolarHBondContact O-N 3.27Å; T7-L9 PolarHBondContact O-N 2.87Å; T7-L9 PolarHBondContact OG1-N 3.31Å; T7-G10 WeakPolarHBondContact CA-O 3.39Å; T7-G10 WeakPolarHBondContact CB-O 3.2Å; T7-G10 PolarHBondContact N-O 3.01Å; T7-G10 PolarHBondContact O-N 3.2Å; T7-G10 PolarHBondContact OG1-N 2.99Å; T7-G10 PolarHBondContact OG1-O 3.42Å; T7-I12 HydrophobicContact CG2-CD1 4.23Å; T7-R155 VanDerWaalsContact CA-O 3.31Å; T7-R155 WeakPolarHBondContact CA-O 3.31Å; T7-I156 HydrophobicContact CG2-CG1 4.47Å
8T90.3Very high92.4Very high41 Ų4129.9 Ų29.925%0.25217%0.165SC..THydrogen-bonded Turntrans-61.7-24.7174.947.40000114.1R155 A193T8-R155 HydrophobicContact CG2-CG 3.46Å; T8-R155 VanDerWaalsContact CG2-CG 3.46Å; T8-R155 PolarHBondContact N-O 3.36Å; T8-R155 PolarHBondContact OG1-N 2.83Å; T8-A193 HydrophobicContact CG2-CB 3.7Å
9L89.4Confident92.3Very high49 Ų4937.5 Ų37.526%0.25720%0.199SC..THydrogen-bonded Turntrans-96.7-5.5-178.6-66.7175.8000113.4T7 V135 I139 I154T7-L9 PolarHBondContact O-N 2.87Å; T7-L9 PolarHBondContact OG1-N 3.31Å; L9-V135 HydrophobicContact CB-CG1 3.97Å; L9-I139 HydrophobicContact CD1-CG1 3.6Å; L9-I154 HydrophobicContact CD1-CD1 3.79Å; L9-I154 HydrophobicContact CD1-CG1 3.96Å; L9-I154 HydrophobicContact CD1-CG2 4Å; L9-I154 HydrophobicContact CG-CG2 4.33Å
10G92.4Very high92.1Very high24 Ų2439.4 Ų39.425%0.24721%0.207CC..EExtended strand (participates in β ladder)trans137.2-170.4-178.900000112.8T7T7-G10 WeakPolarHBondContact CA-O 3.39Å; T7-G10 WeakPolarHBondContact CB-O 3.2Å; T7-G10 PolarHBondContact N-O 3.01Å; T7-G10 PolarHBondContact O-N 3.2Å; T7-G10 PolarHBondContact OG1-N 2.99Å; T7-G10 PolarHBondContact OG1-O 3.42Å
11D94.6Very high92Very high90 Ų9037.9 Ų37.948%0.48120%0.199SC..EExtended strand (participates in β ladder)trans-97.6137.8-171-67.3-16.7000111.5L4 G132L4-D11 HydrophobicContact CD1-CB 3.86Å; D11-G132 WeakPolarHBondContact O-CA 3.35Å
12I95.8Very high92.5Very high4 Ų437 Ų372%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-126.3124.5176.9-57.5177.5000108.8L5 T7 I14 V129 V135 I139L5-I12 PolarHBondContact N-O 3.31Å; L5-I12 PolarHBondContact O-N 3.01Å; T7-I12 HydrophobicContact CG2-CD1 4.23Å; I12-I14 HydrophobicContact CG2-CG1 4.22Å; I12-V129 HydrophobicContact CG2-CG1 3.81Å; I12-V129 HydrophobicContact CG2-CG2 4.01Å; I12-V135 HydrophobicContact CD1-CB 4.44Å; I12-V135 HydrophobicContact CD1-CG1 4.07Å; I12-V135 HydrophobicContact CG1-CB 4.08Å; I12-V135 HydrophobicContact CG1-CG1 4.01Å; I12-I139 HydrophobicContact CD1-CD1 4.12Å
13V95.7Very high92.5Very high18 Ų1842 Ų4211%0.10922%0.217CC..EExtended strand (participates in β ladder)trans-102127.2175.4-173.50000109A2 L4 V129 S130 E131 L162A2-V13 HydrophobicContact CB-CG1 3.97Å; L4-V13 HydrophobicContact CD1-CG2 3.78Å; V13-V129 CarbonylContact O-C 3.6Å; V13-V129 WeakPolarHBondContact O-CA 3.24Å; V13-S130 WeakPolarHBondContact CG1-OG 3.36Å; V13-S130 PolarHBondContact O-N 2.94Å; V13-S130 PolarHBondContact O-OG 2.9Å; V13-E131 HydrophobicContact CB-CB 3.93Å; V13-E131 HydrophobicContact CB-CG 4.47Å; V13-E131 HydrophobicContact CG2-CB 3.91Å; V13-E131 PolarHBondContact N-O 3.1Å; V13-E131 PolarHBondContact O-N 2.92Å; V13-L162 HydrophobicContact CG1-CD1 4.31Å
14I95.6Very high92.4Very high0 Ų042 Ų420%022%0.217CC..EExtended strand (participates in β ladder)trans-115121-180-58.2173.3000109.1A2 V3 L5 I12 L16 F28 V94 E128 V129A2-I14 CarbonylContact C-O 3.51Å; A2-I14 VanDerWaalsContact CA-O 3.24Å; A2-I14 WeakPolarHBondContact CA-O 3.37Å; V3-I14 PolarHBondContact N-O 3.24Å; V3-I14 PolarHBondContact O-N 3.32Å; L5-I14 HydrophobicContact CD1-CD1 3.46Å; L5-I14 VanDerWaalsContact CD1-CD1 3.46Å; L5-I14 HydrophobicContact CD1-CG1 4.5Å; L5-I14 HydrophobicContact CG-CD1 4.08Å; I12-I14 HydrophobicContact CG2-CG1 4.22Å; I14-L16 HydrophobicContact CG2-CD2 3.89Å; I14-F28 HydrophobicContact CD1-CZ 4.4Å; I14-V94 HydrophobicContact CD1-CG2 4.15Å; I14-V94 HydrophobicContact CG1-CG2 4.27Å; I14-V94 HydrophobicContact CG2-CB 4.33Å; I14-V94 HydrophobicContact CG2-CG2 3.79Å; I14-E128 CarbonylContact C-O 3.55Å; I14-E128 WeakPolarHBondContact CA-O 3.38Å; I14-V129 HydrophobicContact CG1-CG2 4.3Å
15D94.8Very high92.3Very high55 Ų5540.4 Ų40.429%0.29421%0.209SC..EExtended strand (participates in β ladder)trans-86127.1170.1-71.7-3.1000109.9M1 A2 G127 E128 S130M1-D15 CarbonylContact O-C 3.48Å; M1-D15 WeakPolarHBondContact O-CA 3.42Å; A2-D15 WeakPolarHBondContact CB-OD1 3.48Å; D15-G127 CarbonylContact O-C 3.6Å; D15-G127 WeakPolarHBondContact O-CA 3.43Å; D15-E128 HydrophobicContact CB-CG 4.47Å; D15-E128 PolarHBondContact N-O 2.92Å; D15-E128 PolarHBondContact O-N 3.25Å; D15-S130 VanDerWaalsContact CG-CB 3.5Å; D15-S130 PolarHBondContact OD1-OG 2.71Å; D15-S130 WeakPolarHBondContact OD2-CB 3.36Å
16L94Very high92.2Very high10 Ų1042.1 Ų42.15%0.05222%0.218CC..EExtended strand (participates in β ladder)trans-99138.3-176.3-55.9178.2000111.6M1 V3 I14 T18 F28 L29 F126M1-L16 PolarHBondContact O-N 3.08Å; V3-L16 HydrophobicContact CG2-CD1 3.88Å; I14-L16 HydrophobicContact CG2-CD2 3.89Å; L16-T18 VanDerWaalsContact C-N 3.29Å; L16-T18 HydrophobicContact CB-CG2 3.94Å; L16-T18 PolarHBondContact O-N 2.87Å; L16-T18 VanDerWaalsContact O-N 3.12Å; L16-F28 HydrophobicContact CD1-CD1 3.96Å; L16-F28 HydrophobicContact CD1-CE1 4.49Å; L16-F28 HydrophobicContact CD2-CD1 3.84Å; L16-F28 HydrophobicContact CD2-CE1 4.05Å; L16-L29 HydrophobicContact CD1-CD1 3.99Å; L16-L29 HydrophobicContact CD1-CD2 3.68Å; L16-L29 HydrophobicContact CD1-CG 3.61Å; L16-F126 HydrophobicContact CD2-CD2 3.72Å; L16-F126 HydrophobicContact CD2-CE2 3.6Å
17F93.3Very high92.1Very high38 Ų3839 Ų3917%0.16720%0.203CC..  trans-85.366.6174.6-61.5-37.4000110.6E19 E20 R21 I86 M93 V125 F126 E128F17-E19 VanDerWaalsContact C-N 3.31Å; F17-E19 PolarHBondContact O-N 3.06Å; F17-E20 WeakPolarHBondContact CA-OE2 3.42Å; F17-E20 HydrophobicContact CB-CB 4.28Å; F17-E20 VanDerWaalsContact CB-OE2 3.3Å; F17-E20 WeakPolarHBondContact CB-OE2 3.18Å; F17-E20 PolarHBondContact O-N 3.39Å; F17-R21 WeakPolarHBondContact O-CA 3.06Å; F17-R21 WeakPolarHBondContact O-CB 3.47Å; F17-R21 PolarHBondContact O-N 2.61Å; F17-I86 HydrophobicContact CB-CD1 4.31Å; F17-I86 HydrophobicContact CD2-CD1 3.54Å; F17-I86 HydrophobicContact CE2-CD1 4.15Å; F17-I86 HydrophobicContact CE2-CG2 4.18Å; F17-I86 HydrophobicContact CG-CD1 4.12Å; F17-M93 HydrophobicContact CE2-CE 3.92Å; F17-M93 HydrophobicContact CZ-CE 4.24Å; F17-V125 HydrophobicContact CD2-CG1 4.31Å; F17-V125 HydrophobicContact CE2-CG1 4.01Å; F17-F126 PolarHBondContact N-O 2.91Å; F17-E128 HydrophobicContact CE1-CG 4.28Å; F17-E128 HydrophobicContact CZ-CB 4.12Å; F17-E128 HydrophobicContact CZ-CG 3.91Å
18T89.8Confident92.2Very high13 Ų1338.4 Ų38.48%0.0820%0.2CC..THydrogen-bonded Turntrans-69.3-26.3-173.255.70000114.2M1 L16 P22 P165 F166M1-T18 HydrophobicContact CB-CG2 4.15Å; M1-T18 HydrophobicContact CE-CG2 4.38Å; M1-T18 WeakPolarHBondContact CE-OG1 3.5Å; M1-T18 HydrophobicContact CG-CG2 4.3Å; M1-T18 WeakPolarHBondContact SD-CB 3.34Å; M1-T18 HydrophobicContact SD-CG2 3.2Å; M1-T18 WeakPolarHBondContact SD-CG2 3.11Å; M1-T18 PolarHBondContact SD-OG1 3.02Å; L16-T18 VanDerWaalsContact C-N 3.29Å; L16-T18 HydrophobicContact CB-CG2 3.94Å; L16-T18 PolarHBondContact O-N 2.87Å; L16-T18 VanDerWaalsContact O-N 3.12Å; T18-P22 WeakPolarHBondContact O-CA 3.36Å; T18-P165 HydrophobicContact CG2-CG 4.31Å; T18-F166 HydrophobicContact CG2-CE2 3.89Å; T18-F166 HydrophobicContact CG2-CZ 4.32Å
19E89.4Confident92.3Very high174 Ų17436.5 Ų36.581%0.81319%0.188SC*.THydrogen-bonded Turntrans-76.1-43176.1-64.3-172.6179.900110.9F17F17-E19 VanDerWaalsContact C-N 3.31Å; F17-E19 PolarHBondContact O-N 3.06Å
20E89.8Confident92.3Very high75 Ų7534.1 Ų34.135%0.3518%0.176SC..THydrogen-bonded Turntrans-78.4-32.9179.5-60.993.616000113.3F17 P84 I86F17-E20 WeakPolarHBondContact CA-OE2 3.42Å; F17-E20 HydrophobicContact CB-CB 4.28Å; F17-E20 VanDerWaalsContact CB-OE2 3.3Å; F17-E20 WeakPolarHBondContact CB-OE2 3.18Å; F17-E20 PolarHBondContact O-N 3.39Å; E20-P84 HydrophobicContact CB-CG 3.6Å; E20-P84 HydrophobicContact CG-CG 3.66Å; E20-P84 WeakPolarHBondContact O-CD 3.23Å; E20-I86 HydrophobicContact CB-CD1 4.04Å; E20-I86 HydrophobicContact CG-CD1 4.37Å
21R90Very high92.3Very high9 Ų933 Ų333%0.03416%0.164CC..  trans-132.162.5-172.5-59.8-61.9-169.6-15713.7112.4F17 K23 S25 E81 K82 N83 P84 I86 V125 F126F17-R21 WeakPolarHBondContact O-CA 3.06Å; F17-R21 WeakPolarHBondContact O-CB 3.47Å; F17-R21 PolarHBondContact O-N 2.61Å; R21-K23 PolarHBondContact O-N 3.44Å; R21-S25 WeakPolarHBondContact O-CB 3.28Å; R21-S25 PolarHBondContact O-N 3.48Å; R21-S25 PolarHBondContact O-OG 3.42Å; R21-E81 VanDerWaalsContact C-OE2 3.24Å; R21-E81 WeakPolarHBondContact CA-OE2 3.48Å; R21-E81 PolarHBondContact NH1-O 3.32Å; R21-E81 PolarHBondContact NH2-O 3.44Å; R21-K82 PolarHBondContact NH2-O 3.19Å; R21-N83 PolarHBondContact NH1-O 3.37Å; R21-P84 PolarHBondContact NH1-O 3.23Å; R21-P84 PolarHBondContact NH2-O 3.02Å; R21-I86 HydrophobicContact CG-CD1 4.49Å; R21-V125 WeakPolarHBondContact CG-O 3.44Å; R21-V125 PolarHBondContact NE-O 2.78Å; R21-F126 HydrophobicContact CB-CB 4.09Å; R21-F126 HydrophobicContact CG-CB 4.26Å
22P90.9Very high92.1Very high50 Ų5028.7 Ų28.733%0.32514%0.141SC..Hα-helixtrans-64.6-40.5-174.325.2-34.4000113T18 L26 E81 F166T18-P22 WeakPolarHBondContact O-CA 3.36Å; P22-L26 WeakPolarHBondContact O-CB 3.23Å; P22-L26 PolarHBondContact O-N 3.1Å; P22-E81 WeakPolarHBondContact CD-OE1 3.3Å; P22-F166 HydrophobicContact CB-CE1 4.27Å; P22-F166 HydrophobicContact CB-CZ 4.21Å
23K90.1Very high91.8Very high117 Ų11730.7 Ų30.751%0.50915%0.149SC..Hα-helixtrans-72.1-45.3-177.1-61.9179.3179.3179.90111.5R21 L26 N27 E81R21-K23 PolarHBondContact O-N 3.44Å; K23-L26 PolarHBondContact O-N 3.09Å; K23-N27 WeakPolarHBondContact O-CB 3.37Å; K23-N27 PolarHBondContact O-N 3.35Å; K23-E81 HydrophobicContact CB-CG 4.21Å; K23-E81 WeakPolarHBondContact CB-OE2 3.49Å; K23-E81 HydrophobicContact CD-CG 4.31Å; K23-E81 PolarHBondContact N-OE2 3.3Å
24T91.4Very high91.4Very high0 Ų030.4 Ų30.40%015%0.147CC..Hα-helixtrans-65.5-42.1178.5-63.20000111.5N27 F28 Y78 E81 M96 F126T24-N27 PolarHBondContact O-N 3.12Å; T24-F28 PolarHBondContact O-N 3.37Å; T24-Y78 WeakPolarHBondContact CG2-OH 3.29Å; T24-Y78 PolarHBondContact OG1-OH 3.13Å; T24-E81 PolarHBondContact N-OE2 2.62Å; T24-M96 HydrophobicContact CG2-CB 4.49Å; T24-M96 HydrophobicContact CG2-CE 3.91Å; T24-M96 HydrophobicContact CG2-CG 3.39Å; T24-F126 HydrophobicContact CG2-CB 3.46Å; T24-F126 VanDerWaalsContact CG2-CB 3.46Å; T24-F126 HydrophobicContact CG2-CD1 3.66Å; T24-F126 HydrophobicContact CG2-CD2 4.15Å; T24-F126 HydrophobicContact CG2-CE1 4.45Å; T24-F126 HydrophobicContact CG2-CG 3.49Å; T24-F126 VanDerWaalsContact CG2-CG 3.49Å
25S92.1Very high91.1Very high0 Ų032.3 Ų32.30%016%0.155CC..Hα-helixtrans-65.7-41.7177.4-580000111.9R21 F28 L29R21-S25 WeakPolarHBondContact O-CB 3.28Å; R21-S25 PolarHBondContact O-N 3.48Å; R21-S25 PolarHBondContact O-OG 3.42Å; S25-F28 PolarHBondContact O-N 3.04Å; S25-L29 WeakPolarHBondContact O-CB 3.49Å; S25-L29 VanDerWaalsContact O-CG 3.31Å; S25-L29 WeakPolarHBondContact O-CG 3.25Å; S25-L29 PolarHBondContact O-N 3.13Å
26L91.4Very high90.8Very high40 Ų4031.2 Ų31.221%0.20915%0.148CC..Hα-helixtrans-59.2-48.7173.8-175.6159.6000110.6P22 K23 F28 L29 K30 V66 Y67 F166P22-L26 WeakPolarHBondContact O-CB 3.23Å; P22-L26 PolarHBondContact O-N 3.1Å; K23-L26 PolarHBondContact O-N 3.09Å; L26-F28 VanDerWaalsContact C-N 3.34Å; L26-F28 PolarHBondContact O-N 3.45Å; L26-L29 PolarHBondContact O-N 2.94Å; L26-K30 HydrophobicContact CD2-CG 3.83Å; L26-K30 HydrophobicContact CG-CG 4.25Å; L26-K30 WeakPolarHBondContact O-CB 3.4Å; L26-K30 VanDerWaalsContact O-CG 3.29Å; L26-K30 WeakPolarHBondContact O-CG 3.34Å; L26-K30 PolarHBondContact O-N 3.09Å; L26-V66 HydrophobicContact CD2-CG1 4.42Å; L26-Y67 HydrophobicContact CD2-CE1 4.4Å; L26-F166 HydrophobicContact CB-CD2 4.23Å; L26-F166 HydrophobicContact CB-CE2 4.41Å; L26-F166 HydrophobicContact CB-CG 4.41Å; L26-F166 HydrophobicContact CD1-CB 4.42Å; L26-F166 HydrophobicContact CD1-CD1 4.34Å; L26-F166 HydrophobicContact CD1-CG 4.34Å; L26-F166 HydrophobicContact CG-CG 4.47Å
27N91.7Very high90.7Very high0 Ų030.7 Ų30.70%015%0.146CC..Hα-helixtrans-55.2-50.1177174.970.4000111.5K23 T24 K30 L31 S65 V66 Y67 Y78 G105K23-N27 WeakPolarHBondContact O-CB 3.37Å; K23-N27 PolarHBondContact O-N 3.35Å; T24-N27 PolarHBondContact O-N 3.12Å; N27-K30 PolarHBondContact O-N 2.98Å; N27-L31 WeakPolarHBondContact O-CB 3.38Å; N27-L31 WeakPolarHBondContact O-CG 3.38Å; N27-L31 PolarHBondContact O-N 3.37Å; N27-S65 WeakPolarHBondContact OD1-CA 3.42Å; N27-S65 VanDerWaalsContact OD1-CB 3.32Å; N27-S65 WeakPolarHBondContact OD1-CB 3.39Å; N27-V66 HydrophobicContact CB-CG1 4.32Å; N27-V66 PolarHBondContact OD1-N 3.01Å; N27-Y67 HydrophobicContact CB-CE2 4.41Å; N27-Y78 HydrophobicContact CB-CE1 3.98Å; N27-Y78 WeakPolarHBondContact ND2-CE1 3.44Å; N27-G105 PolarHBondContact ND2-O 2.99Å
28F93.3Very high90.5Very high0 Ų029.2 Ų29.20%014%0.139CC..Hα-helixtrans-61.6-47.5179.7-176.6-103.6000112.5V3 L5 I14 L16 T24 S25 L26 L31 C32 Y37 M96 F108 F126V3-F28 HydrophobicContact CB-CE1 3.99Å; V3-F28 HydrophobicContact CG1-CE1 4.07Å; V3-F28 HydrophobicContact CG2-CD1 4.35Å; V3-F28 HydrophobicContact CG2-CE1 3.94Å; L5-F28 HydrophobicContact CD2-CZ 4.46Å; I14-F28 HydrophobicContact CD1-CZ 4.4Å; L16-F28 HydrophobicContact CD1-CD1 3.96Å; L16-F28 HydrophobicContact CD1-CE1 4.49Å; L16-F28 HydrophobicContact CD2-CD1 3.84Å; L16-F28 HydrophobicContact CD2-CE1 4.05Å; T24-F28 PolarHBondContact O-N 3.37Å; S25-F28 PolarHBondContact O-N 3.04Å; L26-F28 VanDerWaalsContact C-N 3.34Å; L26-F28 PolarHBondContact O-N 3.45Å; F28-L31 PolarHBondContact O-N 2.87Å; F28-C32 PolarHBondContact O-N 3.34Å; F28-C32 PolarHBondContact O-SG 3.49Å; F28-Y37 AromaticContact CD2-CE2 3.7Å; F28-Y37 HydrophobicContact CD2-CE2 3.7Å; F28-Y37 HydrophobicContact CE2-CD2 4.36Å; F28-Y37 AromaticContact CE2-CE2 3.74Å; F28-Y37 HydrophobicContact CE2-CE2 3.74Å; F28-M96 HydrophobicContact CB-CE 3.97Å; F28-M96 HydrophobicContact CD2-CE 4.13Å; F28-M96 HydrophobicContact CG-CE 4.49Å; F28-F108 HydrophobicContact CD2-CD1 4.48Å; F28-F108 HydrophobicContact CE2-CD1 4.03Å; F28-F108 AromaticContact CE2-CE1 3.78Å; F28-F108 HydrophobicContact CE2-CE1 3.78Å; F28-F108 HydrophobicContact CE2-CZ 4.07Å; F28-F126 HydrophobicContact CB-CE2 3.87Å; F28-F126 HydrophobicContact CB-CZ 4.4Å; F28-F126 AromaticContact CD1-CE2 3.88Å; F28-F126 HydrophobicContact CD1-CE2 3.88Å; F28-F126 AromaticContact CD2-CE2 3.92Å; F28-F126 HydrophobicContact CD2-CE2 3.92Å; F28-F126 AromaticContact CD2-CZ 3.83Å; F28-F126 HydrophobicContact CD2-CZ 3.83Å; F28-F126 HydrophobicContact CE1-CE2 4.38Å; F28-F126 HydrophobicContact CE2-CE2 4.43Å; F28-F126 HydrophobicContact CE2-CZ 4.21Å; F28-F126 AromaticContact CG-CE2 3.61Å; F28-F126 HydrophobicContact CG-CE2 3.61Å; F28-F126 HydrophobicContact CG-CZ 4.02Å
29L92.1Very high90.3Very high0 Ų031.4 Ų31.40%015%0.147CC..Hα-helixtrans-61.8-45.8179.2-75.9166.9000112.1V3 L16 S25 L26 L31 C32 K33 I161 F166V3-L29 HydrophobicContact CG2-CD2 3.49Å; V3-L29 VanDerWaalsContact CG2-CD2 3.49Å; L16-L29 HydrophobicContact CD1-CD1 3.99Å; L16-L29 HydrophobicContact CD1-CD2 3.68Å; L16-L29 HydrophobicContact CD1-CG 3.61Å; S25-L29 WeakPolarHBondContact O-CB 3.49Å; S25-L29 VanDerWaalsContact O-CG 3.31Å; S25-L29 WeakPolarHBondContact O-CG 3.25Å; S25-L29 PolarHBondContact O-N 3.13Å; L26-L29 PolarHBondContact O-N 2.94Å; L29-L31 PolarHBondContact O-N 3.25Å; L29-C32 WeakPolarHBondContact O-CB 3.38Å; L29-C32 PolarHBondContact O-N 2.81Å; L29-K33 PolarHBondContact O-N 3.09Å; L29-I161 HydrophobicContact CD2-CG1 4.35Å; L29-I161 HydrophobicContact CD2-CG2 3.8Å; L29-I161 WeakPolarHBondContact O-CD1 3.17Å; L29-F166 HydrophobicContact CD1-CD2 3.72Å; L29-F166 HydrophobicContact CD1-CE2 3.98Å
30K90.9Very high90.4Very high0 Ų023.1 Ų23.10%011%0.108CC..Hα-helixtrans-69.9-33.6179.7-58.4-44.3174.6-169.10111.9L26 N27 C32 K33 I34 V66 D164 F166 D167 D168 L172L26-K30 HydrophobicContact CD2-CG 3.83Å; L26-K30 HydrophobicContact CG-CG 4.25Å; L26-K30 WeakPolarHBondContact O-CB 3.4Å; L26-K30 VanDerWaalsContact O-CG 3.29Å; L26-K30 WeakPolarHBondContact O-CG 3.34Å; L26-K30 PolarHBondContact O-N 3.09Å; N27-K30 PolarHBondContact O-N 2.98Å; K30-C32 VanDerWaalsContact C-N 3.33Å; K30-K33 HydrophobicContact CD-CD 4.17Å; K30-K33 PolarHBondContact O-N 3.2Å; K30-I34 WeakPolarHBondContact O-CG1 3.32Å; K30-I34 PolarHBondContact O-N 2.99Å; K30-V66 HydrophobicContact CB-CB 4.25Å; K30-V66 HydrophobicContact CB-CG1 4.37Å; K30-V66 HydrophobicContact CB-CG2 3.69Å; K30-D164 IonicContact NZ-OD1 2.76Å; K30-D164 IonicContact NZ-OD2 2.62Å; K30-D164 PolarHBondContact NZ-OD2 3.48Å; K30-F166 PolarHBondContact NZ-O 2.83Å; K30-D167 WeakPolarHBondContact CE-O 3.27Å; K30-D167 PolarHBondContact NZ-O 2.92Å; K30-D168 WeakPolarHBondContact CE-OD1 3.4Å; K30-D168 IonicContact NZ-OD1 2.67Å; K30-D168 PolarHBondContact NZ-OD1 3.35Å; K30-L172 HydrophobicContact CB-CD1 4.49Å; K30-L172 HydrophobicContact CB-CD2 4.08Å; K30-L172 HydrophobicContact CD-CD2 4.14Å; K30-L172 HydrophobicContact CG-CD2 4.39Å
31L91.3Very high90.4Very high0 Ų020.6 Ų20.60%010%0.097CC..Hα-helixtrans-63.6-37.5170.5-73173.7000112.2N27 F28 L29 I34 K35 F36 Y37 V66N27-L31 WeakPolarHBondContact O-CB 3.38Å; N27-L31 WeakPolarHBondContact O-CG 3.38Å; N27-L31 PolarHBondContact O-N 3.37Å; F28-L31 PolarHBondContact O-N 2.87Å; L29-L31 PolarHBondContact O-N 3.25Å; L31-I34 HydrophobicContact CD2-CD1 3.87Å; L31-I34 VanDerWaalsContact O-CG1 3.28Å; L31-I34 WeakPolarHBondContact O-CG1 3.48Å; L31-K35 PolarHBondContact O-N 2.89Å; L31-F36 HydrophobicContact CB-CB 4.22Å; L31-F36 HydrophobicContact CD2-CB 4.01Å; L31-F36 HydrophobicContact CD2-CD1 4.06Å; L31-F36 HydrophobicContact CD2-CD2 4.25Å; L31-F36 HydrophobicContact CD2-CG 3.86Å; L31-F36 VanDerWaalsContact O-CB 3.27Å; L31-F36 WeakPolarHBondContact O-CB 3.45Å; L31-F36 PolarHBondContact O-N 3.45Å; L31-Y37 HydrophobicContact CB-CD2 4.21Å; L31-Y37 HydrophobicContact CB-CE2 3.57Å; L31-Y37 HydrophobicContact CD1-CE2 4.23Å; L31-Y37 WeakPolarHBondContact CD1-OH 3.36Å; L31-V66 HydrophobicContact CD2-CB 4.22Å; L31-V66 HydrophobicContact CG-CB 4.24Å
32C91.1Very high90.5Very high0 Ų020.5 Ų20.50%010%0.097CC..Hα-helixtrans-65.5-41.5171.5-640000111.6F28 L29 K30 I34 K35 T159 I161F28-C32 PolarHBondContact O-N 3.34Å; F28-C32 PolarHBondContact O-SG 3.49Å; L29-C32 WeakPolarHBondContact O-CB 3.38Å; L29-C32 PolarHBondContact O-N 2.81Å; K30-C32 VanDerWaalsContact C-N 3.33Å; C32-I34 PolarHBondContact O-N 3.06Å; C32-K35 PolarHBondContact O-N 3.45Å; C32-T159 PolarHBondContact O-OG1 3.33Å; C32-I161 HydrophobicContact CB-CD1 3.87Å; C32-I161 HydrophobicContact CB-CG1 3.9Å
33K88.7Confident90.5Very high45 Ų4518.8 Ų18.820%0.1968%0.084CC..Hα-helixtrans-59.3-45.5177.6-78.9-168.2161.1173.70112.5L29 K30 K35 I161 D164 D168 L172 V174L29-K33 PolarHBondContact O-N 3.09Å; K30-K33 HydrophobicContact CD-CD 4.17Å; K30-K33 PolarHBondContact O-N 3.2Å; K33-K35 PolarHBondContact O-N 2.98Å; K33-I161 HydrophobicContact CB-CD1 4.16Å; K33-I161 HydrophobicContact CD-CD1 4.27Å; K33-I161 HydrophobicContact CG-CD1 3.2Å; K33-D164 WeakPolarHBondContact CE-OD2 3.47Å; K33-D164 IonicContact NZ-OD2 3.86Å; K33-D164 PolarHBondContact NZ-OD2 3.44Å; K33-D168 WeakPolarHBondContact CD-OD1 3.39Å; K33-D168 IonicContact NZ-OD1 2.68Å; K33-D168 PolarHBondContact NZ-OD1 3.16Å; K33-D168 IonicContact NZ-OD2 2.75Å; K33-D168 PolarHBondContact NZ-OD2 3.07Å; K33-L172 HydrophobicContact CB-CD2 4.4Å; K33-V174 HydrophobicContact CB-CG2 4.46Å
34I88.4Confident90.6Very high12 Ų1214.5 Ų14.56%0.0627%0.067CC..THydrogen-bonded Turntrans-77.3617869.6-179.7000113.2K30 L31 C32 F36 K69 L172 P173K30-I34 WeakPolarHBondContact O-CG1 3.32Å; K30-I34 PolarHBondContact O-N 2.99Å; L31-I34 HydrophobicContact CD2-CD1 3.87Å; L31-I34 VanDerWaalsContact O-CG1 3.28Å; L31-I34 WeakPolarHBondContact O-CG1 3.48Å; C32-I34 PolarHBondContact O-N 3.06Å; I34-F36 HydrophobicContact CD1-CB 4.09Å; I34-F36 HydrophobicContact CG1-CB 3.86Å; I34-F36 PolarHBondContact O-N 3.13Å; I34-K69 HydrophobicContact CD1-CD 3.6Å; I34-L172 HydrophobicContact CG2-CD1 3.71Å; I34-L172 HydrophobicContact CG2-CD2 3.89Å; I34-L172 HydrophobicContact CG2-CG 3.56Å; I34-P173 WeakPolarHBondContact CG2-O 3.49Å
35K88.7Confident90.7Very high40 Ų4014.5 Ų14.517%0.1747%0.067CC..THydrogen-bonded Turntrans5832.4180-54.8-62.3175.41730113.3L31 C32 K33 Y37 N38 H158 T159 P175 P179L31-K35 PolarHBondContact O-N 2.89Å; C32-K35 PolarHBondContact O-N 3.45Å; K33-K35 PolarHBondContact O-N 2.98Å; K35-Y37 VanDerWaalsContact C-N 3.31Å; K35-Y37 PolarHBondContact O-N 2.92Å; K35-N38 HydrophobicContact CB-CB 4.46Å; K35-N38 WeakPolarHBondContact O-CB 3.48Å; K35-N38 PolarHBondContact O-N 2.94Å; K35-H158 PolarHBondContact NZ-NE2 2.93Å; K35-T159 PolarHBondContact NZ-O 3.2Å; K35-P175 HydrophobicContact CB-CG 4.38Å; K35-P175 HydrophobicContact CG-CG 4.04Å; K35-P179 HydrophobicContact CB-CG 4.46Å
36F88.9Confident90.7Very high32 Ų3216.7 Ų16.714%0.148%0.077CC..THydrogen-bonded Turntrans-64.7-36.8-178.5-174-97.6000112.5L31 I34 N38 C40 P56 S106L31-F36 HydrophobicContact CB-CB 4.22Å; L31-F36 HydrophobicContact CD2-CB 4.01Å; L31-F36 HydrophobicContact CD2-CD1 4.06Å; L31-F36 HydrophobicContact CD2-CD2 4.25Å; L31-F36 HydrophobicContact CD2-CG 3.86Å; L31-F36 VanDerWaalsContact O-CB 3.27Å; L31-F36 WeakPolarHBondContact O-CB 3.45Å; L31-F36 PolarHBondContact O-N 3.45Å; I34-F36 HydrophobicContact CD1-CB 4.09Å; I34-F36 HydrophobicContact CG1-CB 3.86Å; I34-F36 PolarHBondContact O-N 3.13Å; F36-N38 VanDerWaalsContact C-N 3.29Å; F36-N38 PolarHBondContact O-N 2.7Å; F36-C40 PolarHBondContact O-SG 3.27Å; F36-P56 HydrophobicContact CD1-CG 3.98Å; F36-P56 HydrophobicContact CD2-CG 4.42Å; F36-P56 HydrophobicContact CE1-CG 3.27Å; F36-P56 HydrophobicContact CE2-CG 3.81Å; F36-P56 HydrophobicContact CZ-CG 3.2Å; F36-S106 VanDerWaalsContact CE1-CB 3.47Å; F36-S106 VanDerWaalsContact CE1-OG 3.27Å; F36-S106 WeakPolarHBondContact CE1-OG 3.39Å
37Y90.9Very high90.7Very high0 Ų021 Ų210%09%0.091CC..THydrogen-bonded Turntrans-81.7-5.9-178.6-64-57.4000113.9F28 L31 K35 Y39 C40 S106 F108 I156F28-Y37 AromaticContact CD2-CE2 3.7Å; F28-Y37 HydrophobicContact CD2-CE2 3.7Å; F28-Y37 HydrophobicContact CE2-CD2 4.36Å; F28-Y37 AromaticContact CE2-CE2 3.74Å; F28-Y37 HydrophobicContact CE2-CE2 3.74Å; L31-Y37 HydrophobicContact CB-CD2 4.21Å; L31-Y37 HydrophobicContact CB-CE2 3.57Å; L31-Y37 HydrophobicContact CD1-CE2 4.23Å; L31-Y37 WeakPolarHBondContact CD1-OH 3.36Å; K35-Y37 VanDerWaalsContact C-N 3.31Å; K35-Y37 PolarHBondContact O-N 2.92Å; Y37-Y39 PolarHBondContact O-N 2.94Å; Y37-C40 VanDerWaalsContact CA-SG 3.6Å; Y37-C40 VanDerWaalsContact O-CB 3.26Å; Y37-C40 WeakPolarHBondContact O-CB 3.49Å; Y37-C40 PolarHBondContact O-N 2.97Å; Y37-C40 VanDerWaalsContact O-N 3.09Å; Y37-S106 VanDerWaalsContact CE1-O 3.28Å; Y37-S106 WeakPolarHBondContact CE1-O 3.04Å; Y37-S106 PolarHBondContact OH-O 3.48Å; Y37-F108 HydrophobicContact CD1-CE1 4.11Å; Y37-F108 HydrophobicContact CE1-CD1 4.11Å; Y37-F108 AromaticContact CE1-CE1 3.78Å; Y37-F108 HydrophobicContact CE1-CE1 3.78Å; Y37-F108 HydrophobicContact CE2-CE1 4.46Å; Y37-F108 AromaticContact CZ-CE1 3.96Å; Y37-I156 WeakPolarHBondContact O-CB 3.46Å
38N89.2Confident90.6Very high7 Ų725.7 Ų25.74%0.03712%0.116CC..THydrogen-bonded Turntrans-64.8133.5178.1-69.823.2000110.1K35 F36 C40 I156 T159 S178K35-N38 HydrophobicContact CB-CB 4.46Å; K35-N38 WeakPolarHBondContact O-CB 3.48Å; K35-N38 PolarHBondContact O-N 2.94Å; F36-N38 VanDerWaalsContact C-N 3.29Å; F36-N38 PolarHBondContact O-N 2.7Å; N38-C40 PolarHBondContact O-N 2.88Å; N38-I156 CarbonylContact C-O 3.58Å; N38-T159 PolarHBondContact OD1-OG1 3.1Å; N38-S178 PolarHBondContact ND2-OG 3.26Å
39Y86.8Confident90.6Very high58 Ų5828.3 Ų28.323%0.22713%0.128CC..THydrogen-bonded Turntrans57.117.6-172.1-53.8-76.5000115.4Y37 I156 P181Y37-Y39 PolarHBondContact O-N 2.94Å; Y39-I156 WeakPolarHBondContact CA-O 2.98Å; Y39-I156 PolarHBondContact N-O 3.44Å; Y39-P181 HydrophobicContact CD1-CB 3.82Å; Y39-P181 HydrophobicContact CD1-CG 4.34Å; Y39-P181 HydrophobicContact CD2-CB 3.62Å; Y39-P181 HydrophobicContact CD2-CG 4.36Å; Y39-P181 HydrophobicContact CE1-CB 3.8Å; Y39-P181 HydrophobicContact CE1-CG 3.81Å; Y39-P181 HydrophobicContact CE2-CB 3.58Å; Y39-P181 HydrophobicContact CE2-CG 3.82Å; Y39-P181 HydrophobicContact CG-CB 3.73Å; Y39-P181 WeakPolarHBondContact OH-CD 3.45Å
40C90Very high90.6Very high0 Ų029 Ų290%013%0.131CC..EExtended strand (participates in β ladder)trans-68.6133.9172.6-78.80000110.8F36 Y37 N38 P56 R155 I156F36-C40 PolarHBondContact O-SG 3.27Å; Y37-C40 VanDerWaalsContact CA-SG 3.6Å; Y37-C40 VanDerWaalsContact O-CB 3.26Å; Y37-C40 WeakPolarHBondContact O-CB 3.49Å; Y37-C40 PolarHBondContact O-N 2.97Å; Y37-C40 VanDerWaalsContact O-N 3.09Å; N38-C40 PolarHBondContact O-N 2.88Å; C40-P56 VanDerWaalsContact SG-CA 3.58Å; C40-R155 CarbonylContact O-C 3.51Å; C40-R155 VanDerWaalsContact O-CA 3.24Å; C40-R155 WeakPolarHBondContact O-CA 3.23Å; C40-R155 WeakPolarHBondContact O-CB 3.38Å; C40-I156 PolarHBondContact O-N 3.49Å
41L90.6Very high90.8Very high23 Ų2329 Ų2912%0.1213%0.131CC..EExtended strand (participates in β ladder)trans-79.9144.2179.2-61.4177.8000111.3H43 T53 D153 R155L41-H43 PolarHBondContact O-N 2.71Å; L41-T53 PolarHBondContact O-OG1 3.27Å; L41-T53 VanDerWaalsContact O-OG1 3.05Å; L41-D153 VanDerWaalsContact CD2-OD1 3.26Å; L41-D153 WeakPolarHBondContact CD2-OD1 3.43Å; L41-R155 HydrophobicContact CD2-CB 4Å
42I92.3Very high90.9Very high7 Ų730.3 Ų30.34%0.03614%0.137CC..  trans-77.9112.8157.1-54.1-169.8000106.5V45 V51 I139 I154 R190I42-V45 HydrophobicContact CG2-CG2 3.5Å; I42-V51 HydrophobicContact CD1-CG1 4.07Å; I42-V51 HydrophobicContact CG2-CG1 3.62Å; I42-I139 HydrophobicContact CD1-CD1 3.97Å; I42-I139 HydrophobicContact CD1-CG2 4.21Å; I42-I154 HydrophobicContact CB-CB 4.26Å; I42-I154 HydrophobicContact CD1-CB 4.13Å; I42-I154 HydrophobicContact CD1-CG2 3.48Å; I42-I154 VanDerWaalsContact CD1-CG2 3.48Å; I42-I154 HydrophobicContact CG1-CB 4.27Å; I42-I154 HydrophobicContact CG1-CG2 4.03Å; I42-I154 PolarHBondContact N-O 3.42Å; I42-R190 PolarHBondContact O-NH1 3.34Å
43H89.9Confident91Very high13 Ų1330.5 Ų30.56%0.0614%0.138CC..  trans-108.3-10.4-17158.6-92.1000113.2L41 Q52 I149L41-H43 PolarHBondContact O-N 2.71Å; H43-Q52 PolarHBondContact N-O 3.01Å; H43-I149 WeakPolarHBondContact O-CG1 3.43Å
44N92.3Very high91.1Very high28 Ų2828.3 Ų28.315%0.1513%0.129CC..EExtended strand (participates in β ladder)trans-147.4120.9176.2177.61.9000109.8Q52 F148N44-Q52 HydrophobicContact CB-CB 4.07Å; N44-Q52 PolarHBondContact ND2-OE1 3.47Å; N44-Q52 PolarHBondContact O-N 3.49Å; N44-F148 CarbonylContact C-O 3.54Å; N44-F148 WeakPolarHBondContact CA-O 3.41Å; N44-F148 WeakPolarHBondContact OD1-CB 3.42Å
45V93.7Very high91.1Very high0 Ų027.8 Ų27.80%013%0.126CC..EExtended strand (participates in β ladder)trans-128.2115.1178.1175.80000108.2I42 V51 I139 V144 F148 P150I42-V45 HydrophobicContact CG2-CG2 3.5Å; V45-V51 HydrophobicContact CG1-CG2 4.27Å; V45-V51 HydrophobicContact CG2-CG1 4.32Å; V45-V51 HydrophobicContact CG2-CG2 4.4Å; V45-I139 HydrophobicContact CG1-CG2 4.46Å; V45-I139 HydrophobicContact CG2-CG2 4.03Å; V45-V144 HydrophobicContact CB-CG1 3.93Å; V45-V144 HydrophobicContact CG1-CG1 4.24Å; V45-F148 PolarHBondContact N-O 3.16Å; V45-P150 HydrophobicContact CB-CG 4.04Å; V45-P150 HydrophobicContact CG2-CG 3.49Å; V45-P150 VanDerWaalsContact CG2-CG 3.49Å
46Q92.9Very high90.9Very high45 Ų4527.8 Ų27.821%0.2113%0.13CC..EExtended strand (participates in β ladder)trans-112.2118.8174.1-64.5-173.913.800108.8D48 F49 I50 F148Q46-D48 PolarHBondContact O-N 2.99Å; Q46-F49 HydrophobicContact CB-CB 3.84Å; Q46-F49 HydrophobicContact CB-CD1 3.96Å; Q46-F49 HydrophobicContact CB-CG 4.34Å; Q46-F49 HydrophobicContact CG-CD1 4.49Å; Q46-F49 PolarHBondContact O-N 3Å; Q46-F49 VanDerWaalsContact O-N 3.12Å; Q46-F49 VanDerWaalsContact OE1-CE1 3.31Å; Q46-I50 PolarHBondContact N-O 2.83Å; Q46-I50 PolarHBondContact O-N 2.97Å; Q46-F148 HydrophobicContact CG-CB 4.07Å; Q46-F148 HydrophobicContact CG-CD1 3.73Å; Q46-F148 HydrophobicContact CG-CD2 4.35Å; Q46-F148 HydrophobicContact CG-CE1 4.23Å; Q46-F148 HydrophobicContact CG-CG 3.79Å
47R91.2Very high90.7Very high130 Ų13030.5 Ų30.549%0.49115%0.149SC..THydrogen-bonded Turntrans-58.1131-177-58.4-161.6-178.5144.4-3111F49 N140 T142R47-F49 PolarHBondContact O-N 3.28Å; R47-F49 VanDerWaalsContact O-N 3.16Å; R47-N140 WeakPolarHBondContact CA-OD1 2.96Å; R47-N140 WeakPolarHBondContact CG-O 3.47Å; R47-T142 PolarHBondContact NE-O 3.48Å; R47-T142 PolarHBondContact NH2-O 2.91Å; R47-T142 VanDerWaalsContact NH2-O 3.1Å
48D90.4Very high90.2Very high99 Ų9931.2 Ų31.253%0.52916%0.157SC..THydrogen-bonded Turntrans55.528-180-55.8-42.1000113.9Q46 G113 N140Q46-D48 PolarHBondContact O-N 2.99Å; D48-G113 WeakPolarHBondContact O-CA 3.44Å; D48-G113 PolarHBondContact O-N 3.03Å; D48-N140 PolarHBondContact N-OD1 3.3Å; D48-N140 PolarHBondContact OD1-ND2 2.78Å
49F91.3Very high89.9Confident56 Ų5635.5 Ų35.525%0.24618%0.184CC..THydrogen-bonded Turntrans-134.4-86.3-179.1-170.7-101.8000110.3Q46 R47 T112 G113 L116 Y118Q46-F49 HydrophobicContact CB-CB 3.84Å; Q46-F49 HydrophobicContact CB-CD1 3.96Å; Q46-F49 HydrophobicContact CB-CG 4.34Å; Q46-F49 HydrophobicContact CG-CD1 4.49Å; Q46-F49 PolarHBondContact O-N 3Å; Q46-F49 VanDerWaalsContact O-N 3.12Å; Q46-F49 VanDerWaalsContact OE1-CE1 3.31Å; R47-F49 PolarHBondContact O-N 3.28Å; R47-F49 VanDerWaalsContact O-N 3.16Å; F49-T112 PolarHBondContact N-OG1 3.42Å; F49-T112 PolarHBondContact O-N 2.99Å; F49-G113 PolarHBondContact O-N 3.15Å; F49-L116 HydrophobicContact CD2-CD2 4.45Å; F49-L116 VanDerWaalsContact O-CD1 3.29Å; F49-L116 WeakPolarHBondContact O-CD1 3.39Å; F49-Y118 HydrophobicContact CD2-CE2 4.47Å; F49-Y118 WeakPolarHBondContact CD2-OH 3.4Å; F49-Y118 AromaticContact CE2-CE2 3.4Å; F49-Y118 HydrophobicContact CE2-CE2 3.4Å; F49-Y118 VanDerWaalsContact CE2-CE2 3.4Å; F49-Y118 AromaticContact CE2-CZ 3.34Å; F49-Y118 WeakPolarHBondContact CE2-OH 3.4Å; F49-Y118 AromaticContact CZ-CE2 3.53Å; F49-Y118 HydrophobicContact CZ-CE2 3.53Å; F49-Y118 AromaticContact CZ-CZ 3.99Å
50I93.4Very high89.6Confident13 Ų1333.9 Ų33.97%0.06718%0.184CC..EExtended strand (participates in β ladder)trans-143153.6-177.275.8-171.8000112.4Q46 L109 I110 L116 L119Q46-I50 PolarHBondContact N-O 2.83Å; Q46-I50 PolarHBondContact O-N 2.97Å; I50-L109 HydrophobicContact CB-CD1 4.41Å; I50-L109 HydrophobicContact CD1-CD2 4.39Å; I50-L109 HydrophobicContact CG2-CD1 4.04Å; I50-I110 CarbonylContact C-O 3.59Å; I50-I110 WeakPolarHBondContact CA-O 3.39Å; I50-L116 HydrophobicContact CG2-CD1 4.31Å; I50-L119 HydrophobicContact CG2-CD1 3.9Å
51V94.9Very high89.2Confident1 Ų144.7 Ų44.71%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-117.6121.8166.8172.90000107.4I42 V45 L109 I110 T112 L136 I139I42-V51 HydrophobicContact CD1-CG1 4.07Å; I42-V51 HydrophobicContact CG2-CG1 3.62Å; V45-V51 HydrophobicContact CG1-CG2 4.27Å; V45-V51 HydrophobicContact CG2-CG1 4.32Å; V45-V51 HydrophobicContact CG2-CG2 4.4Å; V51-L109 CarbonylContact O-C 3.49Å; V51-L109 WeakPolarHBondContact O-CA 3.37Å; V51-I110 PolarHBondContact N-O 3.41Å; V51-I110 PolarHBondContact O-N 3.29Å; V51-T112 HydrophobicContact CG2-CG2 3.68Å; V51-L136 HydrophobicContact CG2-CD1 4.2Å; V51-I139 HydrophobicContact CG1-CG2 3.93Å; V51-I139 HydrophobicContact CG2-CG2 3.81Å
52Q93.8Very high88.8Confident27 Ų2744.5 Ų44.513%0.12623%0.228CC..EExtended strand (participates in β ladder)trans-112.6135.4-176.7-170.1-177.6-16.300111.5H43 N44 V97H43-Q52 PolarHBondContact N-O 3.01Å; N44-Q52 HydrophobicContact CB-CB 4.07Å; N44-Q52 PolarHBondContact ND2-OE1 3.47Å; N44-Q52 PolarHBondContact O-N 3.49Å; Q52-V97 HydrophobicContact CG-CG2 3.96Å
53T93.3Very high88.4Confident4 Ų444.7 Ų44.73%0.02523%0.232CC..EExtended strand (participates in β ladder)trans-151.5-170.1179.8-1690000111L41 Q107 F108 I156L41-T53 PolarHBondContact O-OG1 3.27Å; L41-T53 VanDerWaalsContact O-OG1 3.05Å; T53-Q107 WeakPolarHBondContact O-CA 3.47Å; T53-F108 HydrophobicContact CG2-CD1 4.33Å; T53-F108 HydrophobicContact CG2-CD2 4Å; T53-F108 HydrophobicContact CG2-CE1 3.78Å; T53-F108 HydrophobicContact CG2-CE2 3.4Å; T53-F108 VanDerWaalsContact CG2-CE2 3.4Å; T53-F108 HydrophobicContact CG2-CG 4.44Å; T53-F108 HydrophobicContact CG2-CZ 3.29Å; T53-F108 PolarHBondContact N-O 2.92Å; T53-F108 PolarHBondContact O-N 3.07Å; T53-F108 VanDerWaalsContact O-O 3.06Å; T53-I156 HydrophobicContact CG2-CD1 4.12Å
54G89.2Confident88.4Confident0 Ų046.6 Ų46.60%024%0.241CC..  trans88.617178.500000114.9S106G54-S106 CarbonylContact O-C 3.39Å; G54-S106 PolarHBondContact O-OG 3.36Å
55D89.5Confident88.3Confident0 Ų045.3 Ų45.30%023%0.234CC..BIsolated β-bridgetrans-107110168-176.80.1000110T57 G58 T59 G60 R61 G62 Q107D55-T57 PolarHBondContact O-N 3.35Å; D55-T57 WeakPolarHBondContact OD1-CB 3.44Å; D55-T57 PolarHBondContact OD1-N 3Å; D55-T57 PolarHBondContact OD1-OG1 3.35Å; D55-T57 PolarHBondContact OD2-OG1 3.2Å; D55-G58 PolarHBondContact O-N 2.98Å; D55-T59 PolarHBondContact OD2-N 3.5Å; D55-T59 PolarHBondContact OD2-OG1 3.35Å; D55-G60 WeakPolarHBondContact OD2-CA 3.42Å; D55-G60 PolarHBondContact OD2-N 2.83Å; D55-R61 PolarHBondContact OD2-N 2.89Å; D55-G62 VanDerWaalsContact OD1-CA 3.29Å; D55-G62 WeakPolarHBondContact OD1-CA 3.49Å; D55-G62 WeakPolarHBondContact OD2-CA 3.48Å; D55-G62 PolarHBondContact OD2-N 2.82Å; D55-Q107 HydrophobicContact CB-CG 4.13Å
56P85.2Confident87.9Confident41 Ų4145.3 Ų45.327%0.26623%0.234SC..THydrogen-bonded Turntrans-62.3-23177.7-19.929.5000114.1F36 C40 G58F36-P56 HydrophobicContact CD1-CG 3.98Å; F36-P56 HydrophobicContact CD2-CG 4.42Å; F36-P56 HydrophobicContact CE1-CG 3.27Å; F36-P56 HydrophobicContact CE2-CG 3.81Å; F36-P56 HydrophobicContact CZ-CG 3.2Å; C40-P56 VanDerWaalsContact SG-CA 3.58Å; P56-G58 VanDerWaalsContact C-N 3.34Å
57T84Confident87.6Confident88 Ų8845.4 Ų45.454%0.5423%0.233SC..THydrogen-bonded Turntrans-82.1-16178700000112.5D55 T59D55-T57 PolarHBondContact O-N 3.35Å; D55-T57 WeakPolarHBondContact OD1-CB 3.44Å; D55-T57 PolarHBondContact OD1-N 3Å; D55-T57 PolarHBondContact OD1-OG1 3.35Å; D55-T57 PolarHBondContact OD2-OG1 3.2Å; T57-T59 PolarHBondContact O-N 3.37Å; T57-T59 VanDerWaalsContact O-N 3.13Å; T57-T59 PolarHBondContact OG1-N 2.91Å; T57-T59 PolarHBondContact OG1-OG1 2.79Å
58G80.8Confident87.2Confident15 Ų1539.6 Ų39.616%0.15521%0.213CC..SBendtrans67.44.5-176.400000115.1D55 P56D55-G58 PolarHBondContact O-N 2.98Å; P56-G58 VanDerWaalsContact C-N 3.34Å
59T81.9Confident86.7Confident98 Ų9839.6 Ų39.660%0.60121%0.208SC*.SBendtrans-83.5-16.6-177.164.20000113.6D55 T57 R61D55-T59 PolarHBondContact OD2-N 3.5Å; D55-T59 PolarHBondContact OD2-OG1 3.35Å; T57-T59 PolarHBondContact O-N 3.37Å; T57-T59 VanDerWaalsContact O-N 3.13Å; T57-T59 PolarHBondContact OG1-N 2.91Å; T57-T59 PolarHBondContact OG1-OG1 2.79Å; T59-R61 PolarHBondContact O-N 2.9Å; T59-R61 PolarHBondContact OG1-N 3.31Å
60G80.8Confident86.1Confident23 Ų2338.5 Ų38.524%0.23721%0.205CC..SBendtrans80.2-1.4-174.300000114D55 Q107D55-G60 WeakPolarHBondContact OD2-CA 3.42Å; D55-G60 PolarHBondContact OD2-N 2.83Å; G60-Q107 VanDerWaalsContact C-NE2 3.32Å; G60-Q107 PolarHBondContact O-NE2 3.04Å
61R81.7Confident85.5Confident228 Ų22845.9 Ų45.986%0.8623%0.233SC*.SBendtrans-112.7-7.5178.5-63.2-175.1-178.1-176.31.8113.4D55 T59D55-R61 PolarHBondContact OD2-N 2.89Å; T59-R61 PolarHBondContact O-N 2.9Å; T59-R61 PolarHBondContact OG1-N 3.31Å
62G82.7Confident84.8Confident18 Ų1847.4 Ų47.419%0.18625%0.249CC..  trans-88.1-164.7-179.200000113D55 Q107D55-G62 VanDerWaalsContact OD1-CA 3.29Å; D55-G62 WeakPolarHBondContact OD1-CA 3.49Å; D55-G62 WeakPolarHBondContact OD2-CA 3.48Å; D55-G62 PolarHBondContact OD2-N 2.82Å; G62-Q107 PolarHBondContact O-NE2 3.49Å
63G84.1Confident83.9Confident11 Ų1152.4 Ų52.411%0.11328%0.277CS..  trans97.2131178.400000113.3S106G63-S106 WeakPolarHBondContact CA-OG 3.33Å
64E88.3Confident83.1Confident53 Ų5361.6 Ų61.625%0.24832%0.319CS..  trans-126153.8177.6-60.9175.4172.800109.6R76 S106E64-R76 HydrophobicContact CG-CG 4.36Å; E64-R76 IonicContact OE1-CZ 3.13Å; E64-R76 IonicContact OE1-NE 2.84Å; E64-R76 PolarHBondContact OE1-NE 2.94Å; E64-R76 IonicContact OE1-NH2 2.65Å; E64-R76 PolarHBondContact OE1-NH2 3.01Å; E64-S106 PolarHBondContact N-OG 3.18Å; E64-S106 WeakPolarHBondContact O-CB 3.29Å; E64-S106 PolarHBondContact O-OG 3.33Å
65S90.3Very high82.6Confident1 Ų162.7 Ų62.71%0.00733%0.328CS..  trans-76.6164171.374.40000111.6N27 Y67 G68 A75 R76N27-S65 WeakPolarHBondContact OD1-CA 3.42Å; N27-S65 VanDerWaalsContact OD1-CB 3.32Å; N27-S65 WeakPolarHBondContact OD1-CB 3.39Å; S65-Y67 PolarHBondContact O-N 3.43Å; S65-Y67 PolarHBondContact OG-N 2.77Å; S65-G68 PolarHBondContact O-N 2.82Å; S65-G68 VanDerWaalsContact O-N 3.13Å; S65-A75 PolarHBondContact OG-O 3.49Å; S65-R76 WeakPolarHBondContact CB-O 3.46Å; S65-R76 PolarHBondContact N-O 3.08Å; S65-R76 PolarHBondContact OG-O 3.44Å
66V87.3Confident82.2Confident0 Ų067.7 Ų67.70%035%0.347CS..Hα-helixtrans-58.2-32.1172.870.70000111.8L26 N27 K30 L31 G68 K69 L70 L172L26-V66 HydrophobicContact CD2-CG1 4.42Å; N27-V66 HydrophobicContact CB-CG1 4.32Å; N27-V66 PolarHBondContact OD1-N 3.01Å; K30-V66 HydrophobicContact CB-CB 4.25Å; K30-V66 HydrophobicContact CB-CG1 4.37Å; K30-V66 HydrophobicContact CB-CG2 3.69Å; L31-V66 HydrophobicContact CD2-CB 4.22Å; L31-V66 HydrophobicContact CG-CB 4.24Å; V66-G68 PolarHBondContact O-N 3.44Å; V66-K69 WeakPolarHBondContact O-CB 3.4Å; V66-K69 PolarHBondContact O-N 3.02Å; V66-L70 HydrophobicContact CG2-CD1 4.17Å; V66-L70 PolarHBondContact O-N 2.89Å; V66-L172 HydrophobicContact CG2-CD1 3.55Å
67Y85.7Confident82.3Confident48 Ų4869 Ų6919%0.18835%0.349CS..Hα-helixtrans-65.5-28.8-179.3-55.1-63.9000112.4L26 N27 S65 K69 L70 Y71 A75 Y78L26-Y67 HydrophobicContact CD2-CE1 4.4Å; N27-Y67 HydrophobicContact CB-CE2 4.41Å; S65-Y67 PolarHBondContact O-N 3.43Å; S65-Y67 PolarHBondContact OG-N 2.77Å; Y67-K69 VanDerWaalsContact C-N 3.28Å; Y67-K69 PolarHBondContact O-N 3.47Å; Y67-L70 PolarHBondContact O-N 3.38Å; Y67-Y71 HydrophobicContact CD1-CD2 4.32Å; Y67-Y71 AromaticContact CD1-CE2 3.91Å; Y67-Y71 HydrophobicContact CD1-CE2 3.91Å; Y67-Y71 PolarHBondContact O-N 3.11Å; Y67-A75 CarbonylContact C-O 3.32Å; Y67-Y78 HydrophobicContact CD2-CD1 4.01Å; Y67-Y78 HydrophobicContact CD2-CG 4.08Å; Y67-Y78 HydrophobicContact CE2-CD1 4.06Å; Y67-Y78 HydrophobicContact CE2-CD2 4.47Å; Y67-Y78 AromaticContact CE2-CG 3.91Å; Y67-Y78 HydrophobicContact CE2-CG 3.91Å
68G83.1Confident82.5Confident7 Ų765.8 Ų65.87%0.07233%0.327CS..Hα-helixtrans-62.6-36.9173.200000112.1S65 V66 G72 A75S65-G68 PolarHBondContact O-N 2.82Å; S65-G68 VanDerWaalsContact O-N 3.13Å; V66-G68 PolarHBondContact O-N 3.44Å; G68-G72 CarbonylContact O-C 3.55Å; G68-G72 WeakPolarHBondContact O-CA 3.11Å; G68-G72 PolarHBondContact O-N 3.38Å; G68-A75 WeakPolarHBondContact CA-O 3.45Å; G68-A75 PolarHBondContact N-O 3.29Å
69K78.8Confident82.9Confident99 Ų9970.5 Ų70.543%0.4335%0.348SS..Hα-helixtrans-74.3-31.5175.8-67.4-168.6176.1-166.60113.2I34 V66 Y67I34-K69 HydrophobicContact CD1-CD 3.6Å; V66-K69 WeakPolarHBondContact O-CB 3.4Å; V66-K69 PolarHBondContact O-N 3.02Å; Y67-K69 VanDerWaalsContact C-N 3.28Å; Y67-K69 PolarHBondContact O-N 3.47Å
70L79.7Confident83.1Confident33 Ų3366.6 Ų66.617%0.17333%0.326CS..Hα-helixtrans-83.5-40.8-177.9-66.5170.3000112.9V66 Y67 P169 D171 L172V66-L70 HydrophobicContact CG2-CD1 4.17Å; V66-L70 PolarHBondContact O-N 2.89Å; Y67-L70 PolarHBondContact O-N 3.38Å; L70-P169 HydrophobicContact CD1-CB 4.06Å; L70-P169 HydrophobicContact CD1-CG 3.74Å; L70-P169 HydrophobicContact CD2-CB 4.27Å; L70-P169 HydrophobicContact CD2-CG 4.24Å; L70-D171 HydrophobicContact CD2-CB 4.29Å; L70-L172 HydrophobicContact CD2-CB 4.5Å; L70-L172 HydrophobicContact CD2-CD1 4.08Å; L70-L172 HydrophobicContact CG-CD1 4.46Å
71Y80.4Confident83.4Confident169 Ų16967 Ų6766%0.66332%0.322SS*.Hα-helixtrans-117.62.8-171.2-53.3-64000113.6Y67 A75Y67-Y71 HydrophobicContact CD1-CD2 4.32Å; Y67-Y71 AromaticContact CD1-CE2 3.91Å; Y67-Y71 HydrophobicContact CD1-CE2 3.91Å; Y67-Y71 PolarHBondContact O-N 3.11Å; Y71-A75 HydrophobicContact CD2-CB 4.43Å
72G79.7Confident83.2Confident33 Ų3361.9 Ų61.934%0.3431%0.306SS..  trans85.7-173.8178.200000114.6G68 Q74 A75G68-G72 CarbonylContact O-C 3.55Å; G68-G72 WeakPolarHBondContact O-CA 3.11Å; G68-G72 PolarHBondContact O-N 3.38Å; G72-Q74 PolarHBondContact O-N 3.31Å; G72-A75 PolarHBondContact O-N 3.17Å
73D76.2Confident83.1Confident132 Ų13267.2 Ų67.271%0.70633%0.33SS*.G310 helixtrans-56.4-22-170-72.7-23.1000115.3A75 R76D73-A75 VanDerWaalsContact C-N 3.26Å; D73-A75 PolarHBondContact O-N 3.2Å; D73-R76 WeakPolarHBondContact O-CD 3.17Å; D73-R76 VanDerWaalsContact O-CG 3.25Å; D73-R76 WeakPolarHBondContact O-CG 3.5Å
74Q75.4Confident83Confident197 Ų19769.7 Ų69.792%0.92134%0.344SS*.G310 helixtrans-70.9-23.3179.1-61.41808.700112.7G72G72-Q74 PolarHBondContact O-N 3.31Å
75A79.8Confident82.6Confident22 Ų2276.1 Ų76.118%0.18237%0.366CS..G310 helixtrans-109.523.4-17800000112.5S65 Y67 G68 Y71 G72 D73 F77S65-A75 PolarHBondContact OG-O 3.49Å; Y67-A75 CarbonylContact C-O 3.32Å; G68-A75 WeakPolarHBondContact CA-O 3.45Å; G68-A75 PolarHBondContact N-O 3.29Å; Y71-A75 HydrophobicContact CD2-CB 4.43Å; G72-A75 PolarHBondContact O-N 3.17Å; D73-A75 VanDerWaalsContact C-N 3.26Å; D73-A75 PolarHBondContact O-N 3.2Å; A75-F77 PolarHBondContact O-N 2.87Å; A75-F77 VanDerWaalsContact O-N 3.14Å
76R81.4Confident82.5Confident105 Ų10577.8 Ų77.840%0.39638%0.375SS..SBendtrans-56.5-30.8179-75.1173.591.8-166.44.7112.6E64 S65 D73E64-R76 HydrophobicContact CG-CG 4.36Å; E64-R76 IonicContact OE1-CZ 3.13Å; E64-R76 IonicContact OE1-NE 2.84Å; E64-R76 PolarHBondContact OE1-NE 2.94Å; E64-R76 IonicContact OE1-NH2 2.65Å; E64-R76 PolarHBondContact OE1-NH2 3.01Å; S65-R76 WeakPolarHBondContact CB-O 3.46Å; S65-R76 PolarHBondContact N-O 3.08Å; S65-R76 PolarHBondContact OG-O 3.44Å; D73-R76 WeakPolarHBondContact O-CD 3.17Å; D73-R76 VanDerWaalsContact O-CG 3.25Å; D73-R76 WeakPolarHBondContact O-CG 3.5Å
77F87Confident82.5Confident70 Ų7082.2 Ų82.231%0.30739%0.394SS..SBendtrans-124156174.7-51.5-78.7000111.7A75 N99 Q103 H104A75-F77 PolarHBondContact O-N 2.87Å; A75-F77 VanDerWaalsContact O-N 3.14Å; F77-N99 HydrophobicContact CD1-CB 4.31Å; F77-N99 HydrophobicContact CE1-CB 4Å; F77-N99 WeakPolarHBondContact CE1-ND2 3.22Å; F77-Q103 HydrophobicContact CB-CB 3.83Å; F77-Q103 HydrophobicContact CB-CG 4.47Å; F77-Q103 HydrophobicContact CG-CB 4.45Å; F77-H104 VanDerWaalsContact CA-O 3.25Å; F77-H104 WeakPolarHBondContact CA-O 3.38Å; F77-H104 WeakPolarHBondContact CB-O 3.23Å
78Y88.1Confident82.7Confident20 Ų2080 Ų808%0.07839%0.385CS..EExtended strand (participates in β ladder)trans-126.5157.4175.167.6-81.5000111.1T24 N27 Y67 Q103 H104T24-Y78 WeakPolarHBondContact CG2-OH 3.29Å; T24-Y78 PolarHBondContact OG1-OH 3.13Å; N27-Y78 HydrophobicContact CB-CE1 3.98Å; N27-Y78 WeakPolarHBondContact ND2-CE1 3.44Å; Y67-Y78 HydrophobicContact CD2-CD1 4.01Å; Y67-Y78 HydrophobicContact CD2-CG 4.08Å; Y67-Y78 HydrophobicContact CE2-CD1 4.06Å; Y67-Y78 HydrophobicContact CE2-CD2 4.47Å; Y67-Y78 AromaticContact CE2-CG 3.91Å; Y67-Y78 HydrophobicContact CE2-CG 3.91Å; Y78-Q103 WeakPolarHBondContact O-CA 3.38Å; Y78-H104 HydrophobicContact CD1-CB 4.24Å; Y78-H104 VanDerWaalsContact CD1-O 3.23Å; Y78-H104 WeakPolarHBondContact CD1-O 3.35Å; Y78-H104 HydrophobicContact CE1-CB 3.64Å; Y78-H104 WeakPolarHBondContact CE1-O 3.42Å; Y78-H104 HydrophobicContact CE2-CB 3.98Å; Y78-H104 VanDerWaalsContact CZ-CB 3.49Å; Y78-H104 PolarHBondContact N-O 2.79Å; Y78-H104 PolarHBondContact O-N 3.46Å
79D88.5Confident82.9Confident113 Ų11387 Ų8760%0.60441%0.41SS*.EExtended strand (participates in β ladder)trans-72.4139.3-176.4-60.1-35.1000112.3
80A86.4Confident83.4Confident17 Ų1788.5 Ų88.514%0.1442%0.416CS..  trans-63.4132.417800000113.2K82 D102 H104A80-K82 PolarHBondContact O-N 3.38Å; A80-D102 HydrophobicContact CB-CB 4.18Å; A80-D102 VanDerWaalsContact CB-O 3.27Å; A80-D102 WeakPolarHBondContact CB-O 3.35Å; A80-D102 PolarHBondContact N-O 2.81Å; A80-H104 WeakPolarHBondContact CB-NE2 3.49Å
81E86.2Confident84Confident30 Ų3091 Ų9114%0.1443%0.426CS..  trans-77.3114.4170.3-62.5-172.3105.600109R21 P22 K23 T24 T124R21-E81 VanDerWaalsContact C-OE2 3.24Å; R21-E81 WeakPolarHBondContact CA-OE2 3.48Å; R21-E81 PolarHBondContact NH1-O 3.32Å; R21-E81 PolarHBondContact NH2-O 3.44Å; P22-E81 WeakPolarHBondContact CD-OE1 3.3Å; K23-E81 HydrophobicContact CB-CG 4.21Å; K23-E81 WeakPolarHBondContact CB-OE2 3.49Å; K23-E81 HydrophobicContact CD-CG 4.31Å; K23-E81 PolarHBondContact N-OE2 3.3Å; T24-E81 PolarHBondContact N-OE2 2.62Å; E81-T124 WeakPolarHBondContact O-CG2 3.38Å
82K78.9Confident84.6Confident121 Ų12182.9 Ų82.953%0.52639%0.394SS..  trans-89.5-27.6-175.5-64.9-175.4179.2-176.60113.6R21 A80 R85 D102R21-K82 PolarHBondContact NH2-O 3.19Å; A80-K82 PolarHBondContact O-N 3.38Å; K82-R85 WeakPolarHBondContact O-CG 3.43Å; K82-D102 VanDerWaalsContact CE-OD2 3.31Å; K82-D102 WeakPolarHBondContact CE-OD2 3.26Å; K82-D102 IonicContact NZ-OD2 2.68Å; K82-D102 PolarHBondContact NZ-OD2 3.41Å
83N79.4Confident85.3Confident130 Ų13081.8 Ų81.870%0.69538%0.38SS*.SBendtrans-121.1138.7-174.8-64.5-15.6000111.5R21R21-N83 PolarHBondContact NH1-O 3.37Å
84P82.6Confident86.2Confident64 Ų6475.5 Ų75.542%0.41635%0.346SS..SBendcis-72.1152.8-4.831.2-34.1000112.6E20 R21 I86E20-P84 HydrophobicContact CB-CG 3.6Å; E20-P84 HydrophobicContact CG-CG 3.66Å; E20-P84 WeakPolarHBondContact O-CD 3.23Å; R21-P84 PolarHBondContact NH1-O 3.23Å; R21-P84 PolarHBondContact NH2-O 3.02Å; P84-I86 PolarHBondContact O-N 3.49Å
85R80.9Confident87.1Confident187 Ų18766.1 Ų66.171%0.70630%0.303SS*.  trans-80.1100.5178.7-73.1179.3100.3175.55.8110.3K82K82-R85 WeakPolarHBondContact O-CG 3.43Å
86I87.4Confident87.7Confident37 Ų3765.1 Ų65.119%0.1929%0.294CS..  trans-88137.9170.6-54173.9000108.2F17 E20 R21 P84 M93 V125F17-I86 HydrophobicContact CB-CD1 4.31Å; F17-I86 HydrophobicContact CD2-CD1 3.54Å; F17-I86 HydrophobicContact CE2-CD1 4.15Å; F17-I86 HydrophobicContact CE2-CG2 4.18Å; F17-I86 HydrophobicContact CG-CD1 4.12Å; E20-I86 HydrophobicContact CB-CD1 4.04Å; E20-I86 HydrophobicContact CG-CD1 4.37Å; R21-I86 HydrophobicContact CG-CD1 4.49Å; P84-I86 PolarHBondContact O-N 3.49Å; I86-M93 HydrophobicContact CG2-CE 4.09Å; I86-V125 HydrophobicContact CB-CB 4.02Å; I86-V125 HydrophobicContact CB-CG1 4.26Å; I86-V125 HydrophobicContact CG2-CB 3.93Å; I86-V125 HydrophobicContact CG2-CG1 3.65Å; I86-V125 HydrophobicContact CG2-CG2 4.44Å
87K87.6Confident88.2Confident93 Ų9360.8 Ų60.840%0.40428%0.279SS..  trans-107.4148.7-173.7-61.8-165.2171.7-165.20112.3R89 D120K87-R89 HydrophobicContact CB-CG 3.93Å; K87-R89 PolarHBondContact O-N 2.96Å; K87-D120 WeakPolarHBondContact CA-OD1 3.45Å; K87-D120 VanDerWaalsContact CB-OD2 3.23Å; K87-D120 WeakPolarHBondContact CB-OD2 3.34Å; K87-D120 WeakPolarHBondContact CD-OD2 3.31Å; K87-D120 WeakPolarHBondContact CG-OD2 3.38Å
88H89.5Confident88.2Confident1 Ų158.9 Ų58.91%0.00527%0.272CS..  trans-79.260.6174.5-58.485.9000111.9S95 T111 N115 L116 D120 V125H88-S95 VanDerWaalsContact NE2-CB 3.29Å; H88-S95 WeakPolarHBondContact NE2-CB 3.28Å; H88-S95 PolarHBondContact NE2-OG 3.46Å; H88-T111 HydrophobicContact CB-CG2 4.37Å; H88-N115 WeakPolarHBondContact O-CA 3.35Å; H88-N115 PolarHBondContact O-N 3.05Å; H88-L116 HydrophobicContact CB-CB 4.04Å; H88-L116 PolarHBondContact O-N 3.41Å; H88-D120 IonicContact CE1-OD1 2.81Å; H88-D120 IonicContact CG-OD1 3.59Å; H88-D120 PolarHBondContact N-OD1 2.98Å; H88-D120 IonicContact ND1-OD1 3.66Å; H88-D120 PolarHBondContact ND1-OD1 2.85Å; H88-V125 WeakPolarHBondContact CE1-CG2 3.37Å; H88-V125 VanDerWaalsContact NE2-CG2 3.31Å; H88-V125 WeakPolarHBondContact NE2-CG2 3.33Å
89R87.1Confident87.9Confident153 Ų15360.9 Ų60.958%0.57728%0.284SS*.  trans-79.7-39.9-176-76.4-176.8166.8-154.5-7.4113.5K87 N115K87-R89 HydrophobicContact CB-CG 3.93Å; K87-R89 PolarHBondContact O-N 2.96Å; R89-N115 PolarHBondContact O-N 3.31Å
90K89.1Confident87.2Confident131 Ų13157.2 Ų57.257%0.5727%0.274SS*.SBendtrans-104.3162.5-174.3-60.7179.4-175.7171.80110.5M93 T111K90-M93 HydrophobicContact CB-CG 4.38Å; K90-M93 HydrophobicContact CB-SD 4.2Å; K90-M93 VanDerWaalsContact O-CG 3.24Å; K90-M93 WeakPolarHBondContact O-CG 3.22Å; K90-T111 PolarHBondContact O-OG1 3.34Å
91K92.2Very high87Confident85 Ų8561.9 Ų61.937%0.3731%0.305SS..THydrogen-bonded Turntrans-68.9150.2162-54.8-173.3174.9-1620109.1T112 E114 M133K91-T112 WeakPolarHBondContact CD-O 3.42Å; K91-T112 WeakPolarHBondContact CE-O 3.24Å; K91-T112 WeakPolarHBondContact CG-O 3.48Å; K91-T112 PolarHBondContact NZ-O 3.13Å; K91-E114 HydrophobicContact CD-CG 4.14Å; K91-E114 WeakPolarHBondContact CE-OE1 3.46Å; K91-E114 HydrophobicContact CG-CG 3.54Å; K91-M133 HydrophobicContact CB-CE 3.79Å
92G93Very high86.8Confident0 Ų063.2 Ų63.20%031%0.313CS..THydrogen-bonded Turntrans83.95.4179.300000114.4V94 T111 E128 V129G92-V94 PolarHBondContact O-N 2.87Å; G92-T111 PolarHBondContact N-O 2.76Å; G92-T111 PolarHBondContact N-OG1 3.26Å; G92-E128 CarbonylContact O-C 3.57Å; G92-E128 WeakPolarHBondContact O-CA 3.4Å; G92-V129 WeakPolarHBondContact O-CG2 3.09Å; G92-V129 PolarHBondContact O-N 3.41Å
93M94.4Very high87.2Confident10 Ų1060.8 Ų60.85%0.04930%0.304CS..EExtended strand (participates in β ladder)trans-69.3134171.7-54.2-61.4-57.100109.8F17 I86 K90 T111 V125 E128F17-M93 HydrophobicContact CE2-CE 3.92Å; F17-M93 HydrophobicContact CZ-CE 4.24Å; I86-M93 HydrophobicContact CG2-CE 4.09Å; K90-M93 HydrophobicContact CB-CG 4.38Å; K90-M93 HydrophobicContact CB-SD 4.2Å; K90-M93 VanDerWaalsContact O-CG 3.24Å; K90-M93 WeakPolarHBondContact O-CG 3.22Å; M93-T111 WeakPolarHBondContact CA-OG1 3.21Å; M93-T111 HydrophobicContact CB-CG2 4.44Å; M93-T111 WeakPolarHBondContact CB-OG1 3.24Å; M93-T111 PolarHBondContact N-OG1 2.86Å; M93-T111 PolarHBondContact O-N 3.15Å; M93-T111 PolarHBondContact O-OG1 3.41Å; M93-V125 HydrophobicContact CE-CG1 3.61Å; M93-E128 HydrophobicContact CE-CB 4.35Å; M93-E128 HydrophobicContact SD-CB 4.04Å
94V95.1Very high87.8Confident0 Ų054.6 Ų54.60%027%0.271CS..EExtended strand (participates in β ladder)trans-107.7125-179.3-170.20000109.7I14 G92 F108 L109 I110 V125 F126 G127 V129I14-V94 HydrophobicContact CD1-CG2 4.15Å; I14-V94 HydrophobicContact CG1-CG2 4.27Å; I14-V94 HydrophobicContact CG2-CB 4.33Å; I14-V94 HydrophobicContact CG2-CG2 3.79Å; G92-V94 PolarHBondContact O-N 2.87Å; V94-F108 HydrophobicContact CG1-CD2 3.86Å; V94-F108 HydrophobicContact CG1-CE2 4.49Å; V94-L109 WeakPolarHBondContact CA-O 3.16Å; V94-I110 HydrophobicContact CG1-CG1 4.39Å; V94-I110 HydrophobicContact CG2-CG1 4.22Å; V94-I110 HydrophobicContact CG2-CG2 4.48Å; V94-V125 WeakPolarHBondContact O-CA 3.47Å; V94-F126 HydrophobicContact CB-CZ 4.5Å; V94-F126 HydrophobicContact CG1-CE1 3.73Å; V94-F126 HydrophobicContact CG1-CE2 4.33Å; V94-F126 HydrophobicContact CG1-CZ 3.56Å; V94-F126 PolarHBondContact O-N 2.81Å; V94-G127 PolarHBondContact N-O 3.42Å; V94-G127 PolarHBondContact O-N 2.97Å; V94-V129 HydrophobicContact CG2-CG2 4.02Å
95S94.1Very high88.1Confident0 Ų051.6 Ų51.60%025%0.251CS..EExtended strand (participates in β ladder)trans-136.9149.9-178.764.20000113.5H88 F108 L109 T124H88-S95 VanDerWaalsContact NE2-CB 3.29Å; H88-S95 WeakPolarHBondContact NE2-CB 3.28Å; H88-S95 PolarHBondContact NE2-OG 3.46Å; S95-F108 CarbonylContact O-C 3.44Å; S95-F108 VanDerWaalsContact O-CA 3.26Å; S95-F108 WeakPolarHBondContact O-CA 3.4Å; S95-F108 WeakPolarHBondContact O-CB 3.42Å; S95-L109 PolarHBondContact N-O 3.46Å; S95-L109 PolarHBondContact O-N 3.25Å; S95-L109 WeakPolarHBondContact OG-CD1 3.3Å; S95-L109 VanDerWaalsContact OG-CG 3.3Å; S95-L109 WeakPolarHBondContact OG-CG 3.41Å; S95-T124 CarbonylContact C-O 3.57Å; S95-T124 WeakPolarHBondContact CA-O 3.43Å; S95-T124 WeakPolarHBondContact CB-O 3.33Å
96M93.8Very high88.6Confident0 Ų042.7 Ų42.70%022%0.218CC..EExtended strand (participates in β ladder)trans-75.7137.2176.5-75.6-65177.500110.9T24 F28 H104 F108 H123 T124 F126T24-M96 HydrophobicContact CG2-CB 4.49Å; T24-M96 HydrophobicContact CG2-CE 3.91Å; T24-M96 HydrophobicContact CG2-CG 3.39Å; F28-M96 HydrophobicContact CB-CE 3.97Å; F28-M96 HydrophobicContact CD2-CE 4.13Å; F28-M96 HydrophobicContact CG-CE 4.49Å; M96-H104 HydrophobicContact CB-CB 4.28Å; M96-F108 HydrophobicContact SD-CB 4.01Å; M96-H123 WeakPolarHBondContact O-CB 3.27Å; M96-H123 PolarHBondContact O-ND1 3.12Å; M96-T124 PolarHBondContact N-O 2.9Å; M96-F126 HydrophobicContact CE-CD1 4.33Å; M96-F126 HydrophobicContact CE-CE1 3.76Å; M96-F126 HydrophobicContact CE-CE2 4.37Å; M96-F126 HydrophobicContact CE-CZ 3.79Å; M96-F126 HydrophobicContact CG-CD1 3.79Å; M96-F126 HydrophobicContact CG-CE1 3.77Å; M96-F126 HydrophobicContact SD-CE1 4.01Å
97V91.6Very high88.9Confident14 Ų1441.1 Ų41.19%0.08521%0.21CC..EExtended strand (participates in β ladder)trans-70.7139172-177.30000108.6Q52 H104 Q107 L109Q52-V97 HydrophobicContact CG-CG2 3.96Å; V97-H104 PolarHBondContact O-ND1 3.49Å; V97-Q107 HydrophobicContact CB-CB 3.84Å; V97-Q107 HydrophobicContact CG2-CB 3.96Å; V97-Q107 PolarHBondContact N-O 3.29Å; V97-L109 HydrophobicContact CG2-CB 4.36Å; V97-L109 HydrophobicContact CG2-CD2 4.32Å
98N87.3Confident89.3Confident30 Ų3036.8 Ų36.816%0.1619%0.19CC..EExtended strand (participates in β ladder)trans-93.1120.4176-172.4-19000108.3G100 D102 Q103 V122N98-G100 PolarHBondContact O-N 3.09Å; N98-G100 WeakPolarHBondContact OD1-CA 3.41Å; N98-G100 PolarHBondContact OD1-N 2.91Å; N98-G100 PolarHBondContact OD1-O 3.24Å; N98-D102 PolarHBondContact ND2-OD1 3.48Å; N98-D102 PolarHBondContact OD1-N 3.31Å; N98-Q103 PolarHBondContact OD1-N 3.06Å; N98-Q103 PolarHBondContact OD1-O 2.92Å; N98-V122 HydrophobicContact CB-CG1 4.49Å; N98-V122 VanDerWaalsContact CB-O 3.31Å; N98-V122 WeakPolarHBondContact CB-O 3.32Å; N98-V122 PolarHBondContact ND2-O 3.49Å
99N80.6Confident89.5Confident62 Ų6236.8 Ų36.833%0.33219%0.191SC..  trans-85.47.7-179.4-73.446.8000112.2F77 Q103F77-N99 HydrophobicContact CD1-CB 4.31Å; F77-N99 HydrophobicContact CE1-CB 4Å; F77-N99 WeakPolarHBondContact CE1-ND2 3.22Å; N99-Q103 PolarHBondContact N-O 3.48Å
100G74.9Confident89.9Confident37 Ų3729.9 Ų29.938%0.38117%0.165SC..SBendtrans107.9153.4-174.400000111.4N98 D102 Q103N98-G100 PolarHBondContact O-N 3.09Å; N98-G100 WeakPolarHBondContact OD1-CA 3.41Å; N98-G100 PolarHBondContact OD1-N 2.91Å; N98-G100 PolarHBondContact OD1-O 3.24Å; G100-D102 PolarHBondContact O-N 3.05Å; G100-D102 VanDerWaalsContact O-N 3.17Å; G100-Q103 WeakPolarHBondContact O-CB 3.21Å; G100-Q103 PolarHBondContact O-N 3.35Å; G100-Q103 VanDerWaalsContact O-N 3.15Å
101S81.2Confident90.2Very high115 Ų11523.7 Ų23.780%0.80414%0.138SC*.THydrogen-bonded Turntrans56.528.1179.3-54.70000115.1Q103S101-Q103 VanDerWaalsContact C-N 3.27Å; S101-Q103 PolarHBondContact O-N 3.32Å
102D82.5Confident90.2Very high58 Ų5819.9 Ų19.931%0.3112%0.122SC..THydrogen-bonded Turntrans59.736-176.8-60.7-29000113.6A80 K82 N98 G100A80-D102 HydrophobicContact CB-CB 4.18Å; A80-D102 VanDerWaalsContact CB-O 3.27Å; A80-D102 WeakPolarHBondContact CB-O 3.35Å; A80-D102 PolarHBondContact N-O 2.81Å; K82-D102 VanDerWaalsContact CE-OD2 3.31Å; K82-D102 WeakPolarHBondContact CE-OD2 3.26Å; K82-D102 IonicContact NZ-OD2 2.68Å; K82-D102 PolarHBondContact NZ-OD2 3.41Å; N98-D102 PolarHBondContact ND2-OD1 3.48Å; N98-D102 PolarHBondContact OD1-N 3.31Å; G100-D102 PolarHBondContact O-N 3.05Å; G100-D102 VanDerWaalsContact O-N 3.17Å
103Q88Confident90.1Very high70 Ų7020.1 Ų20.133%0.32712%0.124SC..EExtended strand (participates in β ladder)trans-109.1139177.8-66.2-165.8-33.200111.8F77 Y78 N98 N99 G100 S101F77-Q103 HydrophobicContact CB-CB 3.83Å; F77-Q103 HydrophobicContact CB-CG 4.47Å; F77-Q103 HydrophobicContact CG-CB 4.45Å; Y78-Q103 WeakPolarHBondContact O-CA 3.38Å; N98-Q103 PolarHBondContact OD1-N 3.06Å; N98-Q103 PolarHBondContact OD1-O 2.92Å; N99-Q103 PolarHBondContact N-O 3.48Å; G100-Q103 WeakPolarHBondContact O-CB 3.21Å; G100-Q103 PolarHBondContact O-N 3.35Å; G100-Q103 VanDerWaalsContact O-N 3.15Å; S101-Q103 VanDerWaalsContact C-N 3.27Å; S101-Q103 PolarHBondContact O-N 3.32Å
104H90.3Very high89.8Confident0 Ų025.3 Ų25.30%015%0.148CC..EExtended strand (participates in β ladder)trans-113.9146.7179.2-65.1-44000111.7F77 Y78 A80 M96 V97 T124F77-H104 VanDerWaalsContact CA-O 3.25Å; F77-H104 WeakPolarHBondContact CA-O 3.38Å; F77-H104 WeakPolarHBondContact CB-O 3.23Å; Y78-H104 HydrophobicContact CD1-CB 4.24Å; Y78-H104 VanDerWaalsContact CD1-O 3.23Å; Y78-H104 WeakPolarHBondContact CD1-O 3.35Å; Y78-H104 HydrophobicContact CE1-CB 3.64Å; Y78-H104 WeakPolarHBondContact CE1-O 3.42Å; Y78-H104 HydrophobicContact CE2-CB 3.98Å; Y78-H104 VanDerWaalsContact CZ-CB 3.49Å; Y78-H104 PolarHBondContact N-O 2.79Å; Y78-H104 PolarHBondContact O-N 3.46Å; A80-H104 WeakPolarHBondContact CB-NE2 3.49Å; M96-H104 HydrophobicContact CB-CB 4.28Å; V97-H104 PolarHBondContact O-ND1 3.49Å; H104-T124 VanDerWaalsContact NE2-CB 3.27Å; H104-T124 WeakPolarHBondContact NE2-CB 3.24Å; H104-T124 PolarHBondContact NE2-OG1 2.87Å
105G89.6Confident89.4Confident0 Ų030 Ų300%017%0.174CC..EExtended strand (participates in β ladder)trans-116.3-120.417400000111N27N27-G105 PolarHBondContact ND2-O 2.99Å
106S92.3Very high89.1Confident1 Ų130.5 Ų30.51%0.00718%0.176CC..EExtended strand (participates in β ladder)trans-111.5-13.6175.532.40000114.2F36 Y37 G54 G63 E64F36-S106 VanDerWaalsContact CE1-CB 3.47Å; F36-S106 VanDerWaalsContact CE1-OG 3.27Å; F36-S106 WeakPolarHBondContact CE1-OG 3.39Å; Y37-S106 VanDerWaalsContact CE1-O 3.28Å; Y37-S106 WeakPolarHBondContact CE1-O 3.04Å; Y37-S106 PolarHBondContact OH-O 3.48Å; G54-S106 CarbonylContact O-C 3.39Å; G54-S106 PolarHBondContact O-OG 3.36Å; G63-S106 WeakPolarHBondContact CA-OG 3.33Å; E64-S106 PolarHBondContact N-OG 3.18Å; E64-S106 WeakPolarHBondContact O-CB 3.29Å; E64-S106 PolarHBondContact O-OG 3.33Å
107Q93.9Very high88.7Confident4 Ų434.5 Ų34.52%0.01920%0.197CC..EExtended strand (participates in β ladder)trans-70.6133.8179.7-66.1-169.325.900111.1T53 D55 G60 G62 V97T53-Q107 WeakPolarHBondContact O-CA 3.47Å; D55-Q107 HydrophobicContact CB-CG 4.13Å; G60-Q107 VanDerWaalsContact C-NE2 3.32Å; G60-Q107 PolarHBondContact O-NE2 3.04Å; G62-Q107 PolarHBondContact O-NE2 3.49Å; V97-Q107 HydrophobicContact CB-CB 3.84Å; V97-Q107 HydrophobicContact CG2-CB 3.96Å; V97-Q107 PolarHBondContact N-O 3.29Å
108F95Very high88.4Confident1 Ų139.8 Ų39.80%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-135.8158.5176.465.5-88.5000110.4L5 F28 Y37 T53 V94 S95 M96 I110 F126 I156L5-F108 HydrophobicContact CD1-CE2 4.47Å; L5-F108 HydrophobicContact CD1-CZ 4.16Å; F28-F108 HydrophobicContact CD2-CD1 4.48Å; F28-F108 HydrophobicContact CE2-CD1 4.03Å; F28-F108 AromaticContact CE2-CE1 3.78Å; F28-F108 HydrophobicContact CE2-CE1 3.78Å; F28-F108 HydrophobicContact CE2-CZ 4.07Å; Y37-F108 HydrophobicContact CD1-CE1 4.11Å; Y37-F108 HydrophobicContact CE1-CD1 4.11Å; Y37-F108 AromaticContact CE1-CE1 3.78Å; Y37-F108 HydrophobicContact CE1-CE1 3.78Å; Y37-F108 HydrophobicContact CE2-CE1 4.46Å; Y37-F108 AromaticContact CZ-CE1 3.96Å; T53-F108 HydrophobicContact CG2-CD1 4.33Å; T53-F108 HydrophobicContact CG2-CD2 4Å; T53-F108 HydrophobicContact CG2-CE1 3.78Å; T53-F108 HydrophobicContact CG2-CE2 3.4Å; T53-F108 VanDerWaalsContact CG2-CE2 3.4Å; T53-F108 HydrophobicContact CG2-CG 4.44Å; T53-F108 HydrophobicContact CG2-CZ 3.29Å; T53-F108 PolarHBondContact N-O 2.92Å; T53-F108 PolarHBondContact O-N 3.07Å; T53-F108 VanDerWaalsContact O-O 3.06Å; V94-F108 HydrophobicContact CG1-CD2 3.86Å; V94-F108 HydrophobicContact CG1-CE2 4.49Å; S95-F108 CarbonylContact O-C 3.44Å; S95-F108 VanDerWaalsContact O-CA 3.26Å; S95-F108 WeakPolarHBondContact O-CA 3.4Å; S95-F108 WeakPolarHBondContact O-CB 3.42Å; M96-F108 HydrophobicContact SD-CB 4.01Å; F108-I110 HydrophobicContact CD2-CG1 4.3Å; F108-I110 HydrophobicContact CE2-CD1 4.26Å; F108-I110 HydrophobicContact CE2-CG1 4.23Å; F108-F126 HydrophobicContact CB-CE1 4.13Å; F108-F126 HydrophobicContact CB-CZ 4.35Å; F108-I156 HydrophobicContact CZ-CD1 4.17Å
109L94.6Very high88.4Confident2 Ų239 Ų391%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-122.5149.4175.969.285.8000110.3I50 V51 V94 S95 V97 T111 H123I50-L109 HydrophobicContact CB-CD1 4.41Å; I50-L109 HydrophobicContact CD1-CD2 4.39Å; I50-L109 HydrophobicContact CG2-CD1 4.04Å; V51-L109 CarbonylContact O-C 3.49Å; V51-L109 WeakPolarHBondContact O-CA 3.37Å; V94-L109 WeakPolarHBondContact CA-O 3.16Å; S95-L109 PolarHBondContact N-O 3.46Å; S95-L109 PolarHBondContact O-N 3.25Å; S95-L109 WeakPolarHBondContact OG-CD1 3.3Å; S95-L109 VanDerWaalsContact OG-CG 3.3Å; S95-L109 WeakPolarHBondContact OG-CG 3.41Å; V97-L109 HydrophobicContact CG2-CB 4.36Å; V97-L109 HydrophobicContact CG2-CD2 4.32Å; L109-T111 HydrophobicContact CD1-CG2 3.94Å; L109-H123 HydrophobicContact CD2-CB 4.49Å
110I95.5Very high88.5Confident8 Ų837.3 Ų37.34%0.04120%0.204CC..EExtended strand (participates in β ladder)trans-116.2129.3172.5-52178.4000106.7I50 V51 V94 F108 V129 L136I50-I110 CarbonylContact C-O 3.59Å; I50-I110 WeakPolarHBondContact CA-O 3.39Å; V51-I110 PolarHBondContact N-O 3.41Å; V51-I110 PolarHBondContact O-N 3.29Å; V94-I110 HydrophobicContact CG1-CG1 4.39Å; V94-I110 HydrophobicContact CG2-CG1 4.22Å; V94-I110 HydrophobicContact CG2-CG2 4.48Å; F108-I110 HydrophobicContact CD2-CG1 4.3Å; F108-I110 HydrophobicContact CE2-CD1 4.26Å; F108-I110 HydrophobicContact CE2-CG1 4.23Å; I110-V129 HydrophobicContact CG2-CG2 3.94Å; I110-L136 HydrophobicContact CB-CD1 4.28Å; I110-L136 HydrophobicContact CG2-CD1 3.78Å; I110-L136 HydrophobicContact CG2-CD2 3.71Å; I110-L136 HydrophobicContact CG2-CG 4.42Å
111T94.6Very high88.6Confident0 Ų038 Ų380%021%0.21CC..EExtended strand (participates in β ladder)trans-79.8131.4-179.751.10000111.4H88 K90 G92 M93 L109 L116H88-T111 HydrophobicContact CB-CG2 4.37Å; K90-T111 PolarHBondContact O-OG1 3.34Å; G92-T111 PolarHBondContact N-O 2.76Å; G92-T111 PolarHBondContact N-OG1 3.26Å; M93-T111 WeakPolarHBondContact CA-OG1 3.21Å; M93-T111 HydrophobicContact CB-CG2 4.44Å; M93-T111 WeakPolarHBondContact CB-OG1 3.24Å; M93-T111 PolarHBondContact N-OG1 2.86Å; M93-T111 PolarHBondContact O-N 3.15Å; M93-T111 PolarHBondContact O-OG1 3.41Å; L109-T111 HydrophobicContact CD1-CG2 3.94Å; T111-L116 HydrophobicContact CG2-CD1 3.71Å
112T92.6Very high88.8Confident6 Ų635.9 Ų35.94%0.03719%0.193CC..  trans-109.1-17.1172.257.90000112F49 V51 K91 L136 N140F49-T112 PolarHBondContact N-OG1 3.42Å; F49-T112 PolarHBondContact O-N 2.99Å; V51-T112 HydrophobicContact CG2-CG2 3.68Å; K91-T112 WeakPolarHBondContact CD-O 3.42Å; K91-T112 WeakPolarHBondContact CE-O 3.24Å; K91-T112 WeakPolarHBondContact CG-O 3.48Å; K91-T112 PolarHBondContact NZ-O 3.13Å; T112-L136 HydrophobicContact CG2-CD1 3.78Å; T112-L136 HydrophobicContact CG2-CD2 4.18Å; T112-L136 HydrophobicContact CG2-CG 3.82Å; T112-N140 WeakPolarHBondContact CB-OD1 3.34Å; T112-N140 HydrophobicContact CG2-CB 4.13Å; T112-N140 PolarHBondContact OG1-OD1 3.05Å
113G89.6Confident89.1Confident4 Ų434.7 Ų34.74%0.04119%0.185CC..SBendtrans-87.9164.7169.800000113.7D48 F49D48-G113 WeakPolarHBondContact O-CA 3.44Å; D48-G113 PolarHBondContact O-N 3.03Å; F49-G113 PolarHBondContact O-N 3.15Å
114E89.6Confident89.3Confident119 Ų11931.8 Ų31.856%0.55617%0.172SC*.SBendtrans-102.6152173.3-69.4174.1-162.400110.9K91 L116K91-E114 HydrophobicContact CD-CG 4.14Å; K91-E114 WeakPolarHBondContact CE-OE1 3.46Å; K91-E114 HydrophobicContact CG-CG 3.54Å; E114-L116 PolarHBondContact O-N 3.4Å
115N86.1Confident89.4Confident99 Ų9931.9 Ų31.953%0.52917%0.173SC..  trans53.350.2173.5-55.9-60.3000114.2H88 R89 D117H88-N115 WeakPolarHBondContact O-CA 3.35Å; H88-N115 PolarHBondContact O-N 3.05Å; R89-N115 PolarHBondContact O-N 3.31Å; N115-D117 PolarHBondContact O-N 3.13Å
116L87.8Confident89.6Confident10 Ų1031.9 Ų31.95%0.05217%0.173CC..  trans-84.955.4179.2-46.8178.8000111.2F49 I50 H88 T111 E114 Y118 L119F49-L116 HydrophobicContact CD2-CD2 4.45Å; F49-L116 VanDerWaalsContact O-CD1 3.29Å; F49-L116 WeakPolarHBondContact O-CD1 3.39Å; I50-L116 HydrophobicContact CG2-CD1 4.31Å; H88-L116 HydrophobicContact CB-CB 4.04Å; H88-L116 PolarHBondContact O-N 3.41Å; T111-L116 HydrophobicContact CG2-CD1 3.71Å; E114-L116 PolarHBondContact O-N 3.4Å; L116-Y118 HydrophobicContact CB-CE1 4.28Å; L116-Y118 HydrophobicContact CB-CE2 4.39Å; L116-Y118 HydrophobicContact CD2-CE1 4.42Å; L116-Y118 WeakPolarHBondContact CD2-OH 3.47Å; L116-Y118 PolarHBondContact O-N 3.31Å; L116-L119 HydrophobicContact CB-CD1 3.81Å; L116-L119 HydrophobicContact CB-CG 4.18Å; L116-L119 HydrophobicContact CD1-CD1 3.89Å; L116-L119 WeakPolarHBondContact O-CB 3.18Å; L116-L119 PolarHBondContact O-N 3.09Å
117D85Confident89.7Confident84 Ų8431.8 Ų31.845%0.44917%0.172SC..G310 helixtrans-59.5-22.4-172.6-75.8-15.4000113.7N115 L119 D120N115-D117 PolarHBondContact O-N 3.13Å; D117-L119 VanDerWaalsContact C-N 3.27Å; D117-L119 PolarHBondContact O-N 2.78Å; D117-D120 VanDerWaalsContact O-CB 3.27Å; D117-D120 WeakPolarHBondContact O-CB 3.12Å; D117-D120 PolarHBondContact O-N 3.05Å
118Y86.1Confident89.8Confident126 Ų12634.7 Ų34.749%0.49419%0.186SC..G310 helixtrans-74-16.3177.550.7-93.1000113.4F49 L116 D120F49-Y118 HydrophobicContact CD2-CE2 4.47Å; F49-Y118 WeakPolarHBondContact CD2-OH 3.4Å; F49-Y118 AromaticContact CE2-CE2 3.4Å; F49-Y118 HydrophobicContact CE2-CE2 3.4Å; F49-Y118 VanDerWaalsContact CE2-CE2 3.4Å; F49-Y118 AromaticContact CE2-CZ 3.34Å; F49-Y118 WeakPolarHBondContact CE2-OH 3.4Å; F49-Y118 AromaticContact CZ-CE2 3.53Å; F49-Y118 HydrophobicContact CZ-CE2 3.53Å; F49-Y118 AromaticContact CZ-CZ 3.99Å; L116-Y118 HydrophobicContact CB-CE1 4.28Å; L116-Y118 HydrophobicContact CB-CE2 4.39Å; L116-Y118 HydrophobicContact CD2-CE1 4.42Å; L116-Y118 WeakPolarHBondContact CD2-OH 3.47Å; L116-Y118 PolarHBondContact O-N 3.31Å; Y118-D120 VanDerWaalsContact C-N 3.29Å
119L85.8Confident89.8Confident13 Ų1335.3 Ų35.37%0.06819%0.189CC..G310 helixtrans-80.3-16.8172.1-59.1178.5000111.4I50 L116 D117 G121 V122 H123I50-L119 HydrophobicContact CG2-CD1 3.9Å; L116-L119 HydrophobicContact CB-CD1 3.81Å; L116-L119 HydrophobicContact CB-CG 4.18Å; L116-L119 HydrophobicContact CD1-CD1 3.89Å; L116-L119 WeakPolarHBondContact O-CB 3.18Å; L116-L119 PolarHBondContact O-N 3.09Å; D117-L119 VanDerWaalsContact C-N 3.27Å; D117-L119 PolarHBondContact O-N 2.78Å; L119-G121 PolarHBondContact O-N 3.2Å; L119-V122 PolarHBondContact O-N 2.83Å; L119-H123 PolarHBondContact O-N 3.41Å
120D83.7Confident89.8Confident27 Ų2737.6 Ų37.614%0.14421%0.206CC..BIsolated β-bridgetrans-67.1121.3-175.7-66.5-11000111.9K87 H88 D117 Y118 V122K87-D120 WeakPolarHBondContact CA-OD1 3.45Å; K87-D120 VanDerWaalsContact CB-OD2 3.23Å; K87-D120 WeakPolarHBondContact CB-OD2 3.34Å; K87-D120 WeakPolarHBondContact CD-OD2 3.31Å; K87-D120 WeakPolarHBondContact CG-OD2 3.38Å; H88-D120 IonicContact CE1-OD1 2.81Å; H88-D120 IonicContact CG-OD1 3.59Å; H88-D120 PolarHBondContact N-OD1 2.98Å; H88-D120 IonicContact ND1-OD1 3.66Å; H88-D120 PolarHBondContact ND1-OD1 2.85Å; D117-D120 VanDerWaalsContact O-CB 3.27Å; D117-D120 WeakPolarHBondContact O-CB 3.12Å; D117-D120 PolarHBondContact O-N 3.05Å; Y118-D120 VanDerWaalsContact C-N 3.29Å; D120-V122 PolarHBondContact O-N 3.28Å
121G77.4Confident89.7Confident51 Ų5143.6 Ų43.653%0.52623%0.234SC..THydrogen-bonded Turntrans84.8-7.6179.900000114.5L119L119-G121 PolarHBondContact O-N 3.2Å
122V85.1Confident89.6Confident71 Ų7144.1 Ų44.143%0.4324%0.239SC..THydrogen-bonded Turntrans-90.9-48.1162.9-178.20000109.4N98 L119 D120N98-V122 HydrophobicContact CB-CG1 4.49Å; N98-V122 VanDerWaalsContact CB-O 3.31Å; N98-V122 WeakPolarHBondContact CB-O 3.32Å; N98-V122 PolarHBondContact ND2-O 3.49Å; L119-V122 PolarHBondContact O-N 2.83Å; D120-V122 PolarHBondContact O-N 3.28Å
123H89.2Confident89.6Confident32 Ų3247.3 Ų47.315%0.14826%0.255CS..BIsolated β-bridgetrans-105.8136.6178.4-60.5-74000110.7M96 L109 L119 V125M96-H123 WeakPolarHBondContact O-CB 3.27Å; M96-H123 PolarHBondContact O-ND1 3.12Å; L109-H123 HydrophobicContact CD2-CB 4.49Å; L119-H123 PolarHBondContact O-N 3.41Å; H123-V125 PolarHBondContact O-N 3.23Å
124T91Very high89.8Confident10 Ų1051.8 Ų51.86%0.06128%0.278CS..EExtended strand (participates in β ladder)trans-93.2105.6-178-60.10000109.4E81 S95 M96 H104 F126E81-T124 WeakPolarHBondContact O-CG2 3.38Å; S95-T124 CarbonylContact C-O 3.57Å; S95-T124 WeakPolarHBondContact CA-O 3.43Å; S95-T124 WeakPolarHBondContact CB-O 3.33Å; M96-T124 PolarHBondContact N-O 2.9Å; H104-T124 VanDerWaalsContact NE2-CB 3.27Å; H104-T124 WeakPolarHBondContact NE2-CB 3.24Å; H104-T124 PolarHBondContact NE2-OG1 2.87Å; T124-F126 PolarHBondContact O-N 3.38Å
125V93.3Very high90Very high1 Ų146.4 Ų46.41%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-64.6130.3170.9-176.80000109.2F17 R21 I86 H88 M93 V94 H123F17-V125 HydrophobicContact CD2-CG1 4.31Å; F17-V125 HydrophobicContact CE2-CG1 4.01Å; R21-V125 WeakPolarHBondContact CG-O 3.44Å; R21-V125 PolarHBondContact NE-O 2.78Å; I86-V125 HydrophobicContact CB-CB 4.02Å; I86-V125 HydrophobicContact CB-CG1 4.26Å; I86-V125 HydrophobicContact CG2-CB 3.93Å; I86-V125 HydrophobicContact CG2-CG1 3.65Å; I86-V125 HydrophobicContact CG2-CG2 4.44Å; H88-V125 WeakPolarHBondContact CE1-CG2 3.37Å; H88-V125 VanDerWaalsContact NE2-CG2 3.31Å; H88-V125 WeakPolarHBondContact NE2-CG2 3.33Å; M93-V125 HydrophobicContact CE-CG1 3.61Å; V94-V125 WeakPolarHBondContact O-CA 3.47Å; H123-V125 PolarHBondContact O-N 3.23Å
126F93.9Very high90.4Very high0 Ų042 Ų420%023%0.229CC..EExtended strand (participates in β ladder)trans-134.3-2.6179.973.3-87.5000113.9L16 F17 R21 T24 F28 V94 M96 F108 T124L16-F126 HydrophobicContact CD2-CD2 3.72Å; L16-F126 HydrophobicContact CD2-CE2 3.6Å; F17-F126 PolarHBondContact N-O 2.91Å; R21-F126 HydrophobicContact CB-CB 4.09Å; R21-F126 HydrophobicContact CG-CB 4.26Å; T24-F126 HydrophobicContact CG2-CB 3.46Å; T24-F126 VanDerWaalsContact CG2-CB 3.46Å; T24-F126 HydrophobicContact CG2-CD1 3.66Å; T24-F126 HydrophobicContact CG2-CD2 4.15Å; T24-F126 HydrophobicContact CG2-CE1 4.45Å; T24-F126 HydrophobicContact CG2-CG 3.49Å; T24-F126 VanDerWaalsContact CG2-CG 3.49Å; F28-F126 HydrophobicContact CB-CE2 3.87Å; F28-F126 HydrophobicContact CB-CZ 4.4Å; F28-F126 AromaticContact CD1-CE2 3.88Å; F28-F126 HydrophobicContact CD1-CE2 3.88Å; F28-F126 AromaticContact CD2-CE2 3.92Å; F28-F126 HydrophobicContact CD2-CE2 3.92Å; F28-F126 AromaticContact CD2-CZ 3.83Å; F28-F126 HydrophobicContact CD2-CZ 3.83Å; F28-F126 HydrophobicContact CE1-CE2 4.38Å; F28-F126 HydrophobicContact CE2-CE2 4.43Å; F28-F126 HydrophobicContact CE2-CZ 4.21Å; F28-F126 AromaticContact CG-CE2 3.61Å; F28-F126 HydrophobicContact CG-CE2 3.61Å; F28-F126 HydrophobicContact CG-CZ 4.02Å; V94-F126 HydrophobicContact CB-CZ 4.5Å; V94-F126 HydrophobicContact CG1-CE1 3.73Å; V94-F126 HydrophobicContact CG1-CE2 4.33Å; V94-F126 HydrophobicContact CG1-CZ 3.56Å; V94-F126 PolarHBondContact O-N 2.81Å; M96-F126 HydrophobicContact CE-CD1 4.33Å; M96-F126 HydrophobicContact CE-CE1 3.76Å; M96-F126 HydrophobicContact CE-CE2 4.37Å; M96-F126 HydrophobicContact CE-CZ 3.79Å; M96-F126 HydrophobicContact CG-CD1 3.79Å; M96-F126 HydrophobicContact CG-CE1 3.77Å; M96-F126 HydrophobicContact SD-CE1 4.01Å; F108-F126 HydrophobicContact CB-CE1 4.13Å; F108-F126 HydrophobicContact CB-CZ 4.35Å; T124-F126 PolarHBondContact O-N 3.38Å
127G94Very high90.6Very high0 Ų043.5 Ų43.50%024%0.243CC..EExtended strand (participates in β ladder)trans-166.6179.2173.800000113.3D15 V94D15-G127 CarbonylContact O-C 3.6Å; D15-G127 WeakPolarHBondContact O-CA 3.43Å; V94-G127 PolarHBondContact N-O 3.42Å; V94-G127 PolarHBondContact O-N 2.97Å
128E95Very high90.9Very high64 Ų6444.7 Ų44.730%0.29924%0.244SC..EExtended strand (participates in β ladder)trans-137.6149.2172.766.3-180179.700110.8I14 D15 F17 G92 M93 S130I14-E128 CarbonylContact C-O 3.55Å; I14-E128 WeakPolarHBondContact CA-O 3.38Å; D15-E128 HydrophobicContact CB-CG 4.47Å; D15-E128 PolarHBondContact N-O 2.92Å; D15-E128 PolarHBondContact O-N 3.25Å; F17-E128 HydrophobicContact CE1-CG 4.28Å; F17-E128 HydrophobicContact CZ-CB 4.12Å; F17-E128 HydrophobicContact CZ-CG 3.91Å; G92-E128 CarbonylContact O-C 3.57Å; G92-E128 WeakPolarHBondContact O-CA 3.4Å; M93-E128 HydrophobicContact CE-CB 4.35Å; M93-E128 HydrophobicContact SD-CB 4.04Å; E128-S130 PolarHBondContact O-N 3.45Å
129V95.8Very high91.2Very high14 Ų1438.8 Ų38.89%0.08522%0.221CC..EExtended strand (participates in β ladder)trans-75.2117.4174.8175.30000108.4I12 V13 I14 G92 V94 I110 E131 M133I12-V129 HydrophobicContact CG2-CG1 3.81Å; I12-V129 HydrophobicContact CG2-CG2 4.01Å; V13-V129 CarbonylContact O-C 3.6Å; V13-V129 WeakPolarHBondContact O-CA 3.24Å; I14-V129 HydrophobicContact CG1-CG2 4.3Å; G92-V129 WeakPolarHBondContact O-CG2 3.09Å; G92-V129 PolarHBondContact O-N 3.41Å; V94-V129 HydrophobicContact CG2-CG2 4.02Å; I110-V129 HydrophobicContact CG2-CG2 3.94Å; V129-E131 VanDerWaalsContact CG1-O 3.24Å; V129-E131 WeakPolarHBondContact CG1-O 3.34Å; V129-M133 HydrophobicContact CB-SD 3.94Å; V129-M133 HydrophobicContact CG1-CG 4.26Å; V129-M133 HydrophobicContact CG1-SD 3.73Å
130S93.8Very high91.6Very high51 Ų5139 Ų3936%0.35722%0.223SC..EExtended strand (participates in β ladder)trans-90.3-4017848.80000111.9V13 D15 E128V13-S130 WeakPolarHBondContact CG1-OG 3.36Å; V13-S130 PolarHBondContact O-N 2.94Å; V13-S130 PolarHBondContact O-OG 2.9Å; D15-S130 VanDerWaalsContact CG-CB 3.5Å; D15-S130 PolarHBondContact OD1-OG 2.71Å; D15-S130 WeakPolarHBondContact OD2-CB 3.36Å; E128-S130 PolarHBondContact O-N 3.45Å
131E93.9Very high91.9Very high133 Ų13344.4 Ų44.462%0.62125%0.247SC*.EExtended strand (participates in β ladder)trans-134.3153.8177-55.7-175.6168.300111.1V13 V129V13-E131 HydrophobicContact CB-CB 3.93Å; V13-E131 HydrophobicContact CB-CG 4.47Å; V13-E131 HydrophobicContact CG2-CB 3.91Å; V13-E131 PolarHBondContact N-O 3.1Å; V13-E131 PolarHBondContact O-N 2.92Å; V129-E131 VanDerWaalsContact CG1-O 3.24Å; V129-E131 WeakPolarHBondContact CG1-O 3.34Å
132G92.7Very high92.5Very high11 Ų1142.8 Ų42.811%0.11323%0.227CC..  trans90.921.7-177.500000114.7D11 D134 V135 L136D11-G132 WeakPolarHBondContact O-CA 3.35Å; G132-D134 WeakPolarHBondContact CA-OD1 3.39Å; G132-D134 PolarHBondContact O-N 3.17Å; G132-V135 WeakPolarHBondContact O-CB 3.45Å; G132-V135 PolarHBondContact O-N 3.15Å; G132-V135 VanDerWaalsContact O-N 3.16Å; G132-L136 PolarHBondContact O-N 3.44Å
133M93.3Very high92.7Very high74 Ų7446.4 Ų46.437%0.36524%0.237SC..Hα-helixtrans-62.5-28174.3-71.9-61-65.600112.9K91 V129 L136 A137K91-M133 HydrophobicContact CB-CE 3.79Å; V129-M133 HydrophobicContact CB-SD 3.94Å; V129-M133 HydrophobicContact CG1-CG 4.26Å; V129-M133 HydrophobicContact CG1-SD 3.73Å; M133-L136 HydrophobicContact CE-CD2 4.28Å; M133-L136 HydrophobicContact SD-CD2 4.16Å; M133-A137 PolarHBondContact O-N 3.41Å
134D94.3Very high92.8Very high98 Ų9846.6 Ų46.652%0.52424%0.24SC..Hα-helixtrans-68.4-40.6172.563.4-45.9000111.9G132 L136 A137 K138G132-D134 WeakPolarHBondContact CA-OD1 3.39Å; G132-D134 PolarHBondContact O-N 3.17Å; D134-L136 VanDerWaalsContact C-N 3.35Å; D134-A137 WeakPolarHBondContact O-CB 3.24Å; D134-A137 PolarHBondContact O-N 3.18Å; D134-K138 WeakPolarHBondContact O-CG 3.49Å; D134-K138 PolarHBondContact O-N 3.35Å
135V93.4Very high92.6Very high6 Ų649.6 Ų49.64%0.03626%0.256CS..Hα-helixtrans-64.2-43.1173.1-177.70000110.2L9 I12 G132 A137 K138 I139L9-V135 HydrophobicContact CB-CG1 3.97Å; I12-V135 HydrophobicContact CD1-CB 4.44Å; I12-V135 HydrophobicContact CD1-CG1 4.07Å; I12-V135 HydrophobicContact CG1-CB 4.08Å; I12-V135 HydrophobicContact CG1-CG1 4.01Å; G132-V135 WeakPolarHBondContact O-CB 3.45Å; G132-V135 PolarHBondContact O-N 3.15Å; G132-V135 VanDerWaalsContact O-N 3.16Å; V135-A137 VanDerWaalsContact C-N 3.3Å; V135-A137 PolarHBondContact O-N 2.99Å; V135-K138 WeakPolarHBondContact O-CB 3.38Å; V135-K138 PolarHBondContact O-N 2.84Å; V135-I139 HydrophobicContact CG1-CD1 4.21Å; V135-I139 WeakPolarHBondContact O-CG1 3.45Å; V135-I139 PolarHBondContact O-N 3.35Å
136L92.9Very high92.4Very high5 Ų558.4 Ų58.43%0.02629%0.294CS..Hα-helixtrans-61.5-38.7175.4-174.164.7000112V51 I110 T112 G132 M133 D134 I139 N140V51-L136 HydrophobicContact CG2-CD1 4.2Å; I110-L136 HydrophobicContact CB-CD1 4.28Å; I110-L136 HydrophobicContact CG2-CD1 3.78Å; I110-L136 HydrophobicContact CG2-CD2 3.71Å; I110-L136 HydrophobicContact CG2-CG 4.42Å; T112-L136 HydrophobicContact CG2-CD1 3.78Å; T112-L136 HydrophobicContact CG2-CD2 4.18Å; T112-L136 HydrophobicContact CG2-CG 3.82Å; G132-L136 PolarHBondContact O-N 3.44Å; M133-L136 HydrophobicContact CE-CD2 4.28Å; M133-L136 HydrophobicContact SD-CD2 4.16Å; D134-L136 VanDerWaalsContact C-N 3.35Å; L136-I139 PolarHBondContact O-N 3.29Å; L136-N140 WeakPolarHBondContact O-CB 3.41Å; L136-N140 PolarHBondContact O-N 2.81Å
137A93Very high92Very high43 Ų4364 Ų6436%0.35533%0.325SS..Hα-helixtrans-63.5-43173.800000111.9M133 D134 V135 I139 N140 E141M133-A137 PolarHBondContact O-N 3.41Å; D134-A137 WeakPolarHBondContact O-CB 3.24Å; D134-A137 PolarHBondContact O-N 3.18Å; V135-A137 VanDerWaalsContact C-N 3.3Å; V135-A137 PolarHBondContact O-N 2.99Å; A137-I139 VanDerWaalsContact C-N 3.34Å; A137-I139 PolarHBondContact O-N 3.46Å; A137-N140 WeakPolarHBondContact O-CB 3.31Å; A137-N140 PolarHBondContact O-N 3.4Å; A137-N140 VanDerWaalsContact O-N 3.14Å; A137-E141 WeakPolarHBondContact O-CG 3.37Å; A137-E141 PolarHBondContact O-N 2.87Å
138K92.3Very high91.8Very high108 Ų10868.6 Ų68.647%0.4734%0.344SS..Hα-helixtrans-59.8-43.3173.7-69.4173.2-174.7169.40111.9D134 V135 N140 E141 T142D134-K138 WeakPolarHBondContact O-CG 3.49Å; D134-K138 PolarHBondContact O-N 3.35Å; V135-K138 WeakPolarHBondContact O-CB 3.38Å; V135-K138 PolarHBondContact O-N 2.84Å; K138-N140 VanDerWaalsContact C-N 3.3Å; K138-N140 PolarHBondContact O-N 3.47Å; K138-E141 PolarHBondContact O-N 3.33Å; K138-T142 WeakPolarHBondContact O-CG2 3.37Å; K138-T142 PolarHBondContact O-N 3Å
139I92.1Very high91.5Very high2 Ų268.3 Ų68.31%0.0135%0.345CS..Hα-helixtrans-60.6-44175.5-65.7163.8000110L9 I12 I42 V45 V51 V135 L136 A137 E141 T142 I154L9-I139 HydrophobicContact CD1-CG1 3.6Å; I12-I139 HydrophobicContact CD1-CD1 4.12Å; I42-I139 HydrophobicContact CD1-CD1 3.97Å; I42-I139 HydrophobicContact CD1-CG2 4.21Å; V45-I139 HydrophobicContact CG1-CG2 4.46Å; V45-I139 HydrophobicContact CG2-CG2 4.03Å; V51-I139 HydrophobicContact CG1-CG2 3.93Å; V51-I139 HydrophobicContact CG2-CG2 3.81Å; V135-I139 HydrophobicContact CG1-CD1 4.21Å; V135-I139 WeakPolarHBondContact O-CG1 3.45Å; V135-I139 PolarHBondContact O-N 3.35Å; L136-I139 PolarHBondContact O-N 3.29Å; A137-I139 VanDerWaalsContact C-N 3.34Å; A137-I139 PolarHBondContact O-N 3.46Å; I139-E141 VanDerWaalsContact C-N 3.27Å; I139-E141 PolarHBondContact O-N 2.95Å; I139-T142 WeakPolarHBondContact O-CB 3.37Å; I139-T142 WeakPolarHBondContact O-CG2 3.39Å; I139-T142 PolarHBondContact O-N 3.35Å; I139-T142 PolarHBondContact O-OG1 3.41Å; I139-I154 HydrophobicContact CG1-CD1 4.44Å; I139-I154 HydrophobicContact CG1-CG2 4.34Å; I139-I154 HydrophobicContact CG2-CD1 4.25Å
140N92.8Very high91.2Very high18 Ų1867.7 Ų67.710%0.09634%0.341CS..Hα-helixtrans-61.7-31.9179.1-168.358.5000113.1R47 D48 T112 L136 A137 K138 T142R47-N140 WeakPolarHBondContact CA-OD1 2.96Å; R47-N140 WeakPolarHBondContact CG-O 3.47Å; D48-N140 PolarHBondContact N-OD1 3.3Å; D48-N140 PolarHBondContact OD1-ND2 2.78Å; T112-N140 WeakPolarHBondContact CB-OD1 3.34Å; T112-N140 HydrophobicContact CG2-CB 4.13Å; T112-N140 PolarHBondContact OG1-OD1 3.05Å; L136-N140 WeakPolarHBondContact O-CB 3.41Å; L136-N140 PolarHBondContact O-N 2.81Å; A137-N140 WeakPolarHBondContact O-CB 3.31Å; A137-N140 PolarHBondContact O-N 3.4Å; A137-N140 VanDerWaalsContact O-N 3.14Å; K138-N140 VanDerWaalsContact C-N 3.3Å; K138-N140 PolarHBondContact O-N 3.47Å; N140-T142 VanDerWaalsContact C-N 3.32Å
141E91.2Very high90.9Very high140 Ų14070.1 Ų70.165%0.65435%0.345SS*.Hα-helixtrans-81.9-8.6-179.8-72.4176.3-176.400113.8A137 K138 I139A137-E141 WeakPolarHBondContact O-CG 3.37Å; A137-E141 PolarHBondContact O-N 2.87Å; K138-E141 PolarHBondContact O-N 3.33Å; I139-E141 VanDerWaalsContact C-N 3.27Å; I139-E141 PolarHBondContact O-N 2.95Å
142T89.8Confident90.5Very high17 Ų1765.8 Ų65.810%0.10433%0.325CS..SBendtrans-59.5151.9-177.259.90000113.1R47 K138 I139 N140 I154R47-T142 PolarHBondContact NE-O 3.48Å; R47-T142 PolarHBondContact NH2-O 2.91Å; R47-T142 VanDerWaalsContact NH2-O 3.1Å; K138-T142 WeakPolarHBondContact O-CG2 3.37Å; K138-T142 PolarHBondContact O-N 3Å; I139-T142 WeakPolarHBondContact O-CB 3.37Å; I139-T142 WeakPolarHBondContact O-CG2 3.39Å; I139-T142 PolarHBondContact O-N 3.35Å; I139-T142 PolarHBondContact O-OG1 3.41Å; N140-T142 VanDerWaalsContact C-N 3.32Å; T142-I154 HydrophobicContact CG2-CD1 3.58Å
143F88.6Confident90.2Very high147 Ų14765.3 Ų65.365%0.64532%0.32SS*.  trans-78.5128.4173.7-64.1-74.7000109.4F151F143-F151 HydrophobicContact CB-CD2 3.88Å; F143-F151 WeakPolarHBondContact O-CD2 3.4Å; F143-F151 PolarHBondContact O-N 2.93Å
144V90.7Very high90Very high36 Ų3661.8 Ų61.822%0.21830%0.302CS..BIsolated β-bridgetrans-121.2150.9-177.6-59.40000110.4V45 I149 P150 F151V45-V144 HydrophobicContact CB-CG1 3.93Å; V45-V144 HydrophobicContact CG1-CG1 4.24Å; V144-I149 CarbonylContact C-O 3.57Å; V144-I149 VanDerWaalsContact CA-O 3.31Å; V144-I149 WeakPolarHBondContact CA-O 3.39Å; V144-P150 HydrophobicContact CG1-CG 4.45Å; V144-F151 VanDerWaalsContact C-CE2 3.47Å; V144-F151 WeakPolarHBondContact O-CE2 3.35Å
145D88.3Confident89.8Confident74 Ų7458.2 Ų58.240%0.39628%0.281SS..  trans-78.5-179.3172.5-161.97.1000111.4D147 F148 I149 F151D145-D147 PolarHBondContact O-N 2.97Å; D145-F148 WeakPolarHBondContact O-CA 3.31Å; D145-F148 PolarHBondContact O-N 3.01Å; D145-I149 PolarHBondContact N-O 3.41Å; D145-F151 HydrophobicContact CB-CE1 4.13Å; D145-F151 HydrophobicContact CB-CE2 4.33Å; D145-F151 HydrophobicContact CB-CZ 3.8Å
146K88.3Confident89.8Confident186 Ų18658 Ų5881%0.80928%0.28SS*.THydrogen-bonded Turntrans-58.1-28.9178.8-64.9177.3-175.9172.80113.7F148K146-F148 VanDerWaalsContact C-N 3.27Å
147D86.1Confident89.6Confident118 Ų11860.4 Ų60.463%0.63129%0.293SS*.THydrogen-bonded Turntrans-9114.3177.1-63.2-44.8000112.6D145 I149D145-D147 PolarHBondContact O-N 2.97Å; D147-I149 HydrophobicContact CB-CD1 4.16Å; D147-I149 HydrophobicContact CB-CG1 4.26Å; D147-I149 PolarHBondContact O-N 3.18Å
148F89.8Confident89.4Confident95 Ų9560.5 Ų60.542%0.41729%0.286SS..SBendtrans63.319.4-178.7-53.4-75.9000114.7N44 V45 Q46 D145 K146N44-F148 CarbonylContact C-O 3.54Å; N44-F148 WeakPolarHBondContact CA-O 3.41Å; N44-F148 WeakPolarHBondContact OD1-CB 3.42Å; V45-F148 PolarHBondContact N-O 3.16Å; Q46-F148 HydrophobicContact CG-CB 4.07Å; Q46-F148 HydrophobicContact CG-CD1 3.73Å; Q46-F148 HydrophobicContact CG-CD2 4.35Å; Q46-F148 HydrophobicContact CG-CE1 4.23Å; Q46-F148 HydrophobicContact CG-CG 3.79Å; D145-F148 WeakPolarHBondContact O-CA 3.31Å; D145-F148 PolarHBondContact O-N 3.01Å; K146-F148 VanDerWaalsContact C-N 3.27Å
149I89.1Confident89.3Confident59 Ų5955.3 Ų55.330%0.30326%0.264SS..  trans-84.2127.3176.3-61.2173.6000108.9H43 V144 D145 D147H43-I149 WeakPolarHBondContact O-CG1 3.43Å; V144-I149 CarbonylContact C-O 3.57Å; V144-I149 VanDerWaalsContact CA-O 3.31Å; V144-I149 WeakPolarHBondContact CA-O 3.39Å; D145-I149 PolarHBondContact N-O 3.41Å; D147-I149 HydrophobicContact CB-CD1 4.16Å; D147-I149 HydrophobicContact CB-CG1 4.26Å; D147-I149 PolarHBondContact O-N 3.18Å
150P89.5Confident89.3Confident1 Ų157.3 Ų57.31%0.00628%0.275CS..BIsolated β-bridgetrans-60.7138.4174.9-24.435.2000112.8V45 V144 Q152 I154 R190V45-P150 HydrophobicContact CB-CG 4.04Å; V45-P150 HydrophobicContact CG2-CG 3.49Å; V45-P150 VanDerWaalsContact CG2-CG 3.49Å; V144-P150 HydrophobicContact CG1-CG 4.45Å; P150-Q152 WeakPolarHBondContact CB-O 3.42Å; P150-I154 HydrophobicContact CB-CD1 4.35Å; P150-R190 WeakPolarHBondContact O-CD 3.19Å
151F86.1Confident89.2Confident101 Ų10158.4 Ų58.444%0.44328%0.281SS..SBendtrans-71.5-37.5174.1-75.5-70.1000112.7F143 V144 D145 I191F143-F151 HydrophobicContact CB-CD2 3.88Å; F143-F151 WeakPolarHBondContact O-CD2 3.4Å; F143-F151 PolarHBondContact O-N 2.93Å; V144-F151 VanDerWaalsContact C-CE2 3.47Å; V144-F151 WeakPolarHBondContact O-CE2 3.35Å; D145-F151 HydrophobicContact CB-CE1 4.13Å; D145-F151 HydrophobicContact CB-CE2 4.33Å; D145-F151 HydrophobicContact CB-CZ 3.8Å; F151-I191 PolarHBondContact O-N 2.85Å
152Q85.9Confident89.1Confident42 Ų4256.5 Ų56.520%0.19628%0.275CS..BIsolated β-bridgetrans-87.8141.2173.1-167.2174.61600109.6P150 I154 A193 I197P150-Q152 WeakPolarHBondContact CB-O 3.42Å; Q152-I154 PolarHBondContact O-N 3.34Å; Q152-A193 PolarHBondContact NE2-O 3.48Å; Q152-I197 HydrophobicContact CB-CD1 4.4Å
153D86.4Confident88.8Confident1 Ų161.1 Ų61.11%0.00530%0.295CS..  trans-80.5113.3-174.6-145.919.8000111.9L41 R155 S188 R190 I191L41-D153 VanDerWaalsContact CD2-OD1 3.26Å; L41-D153 WeakPolarHBondContact CD2-OD1 3.43Å; D153-R155 IonicContact OD2-CZ 3.61Å; D153-R155 IonicContact OD2-NE 3.82Å; D153-R155 IonicContact OD2-NH2 2.77Å; D153-R155 PolarHBondContact OD2-NH2 3.45Å; D153-S188 PolarHBondContact OD1-OG 3.44Å; D153-S188 WeakPolarHBondContact OD2-CB 3.2Å; D153-S188 PolarHBondContact OD2-OG 3.36Å; D153-R190 HydrophobicContact CB-CB 3.91Å; D153-R190 WeakPolarHBondContact OD1-CD 3.29Å; D153-R190 IonicContact OD1-NH1 3.78Å; D153-I191 WeakPolarHBondContact CB-O 3.39Å; D153-I191 PolarHBondContact N-O 2.84Å
154I89.9Confident88.7Confident1 Ų156.1 Ų56.11%0.00528%0.275CS..  trans-112.4122.4179-49.5166.8000107.9L9 I42 I139 T142 P150 Q152L9-I154 HydrophobicContact CD1-CD1 3.79Å; L9-I154 HydrophobicContact CD1-CG1 3.96Å; L9-I154 HydrophobicContact CD1-CG2 4Å; L9-I154 HydrophobicContact CG-CG2 4.33Å; I42-I154 HydrophobicContact CB-CB 4.26Å; I42-I154 HydrophobicContact CD1-CB 4.13Å; I42-I154 HydrophobicContact CD1-CG2 3.48Å; I42-I154 VanDerWaalsContact CD1-CG2 3.48Å; I42-I154 HydrophobicContact CG1-CB 4.27Å; I42-I154 HydrophobicContact CG1-CG2 4.03Å; I42-I154 PolarHBondContact N-O 3.42Å; I139-I154 HydrophobicContact CG1-CD1 4.44Å; I139-I154 HydrophobicContact CG1-CG2 4.34Å; I139-I154 HydrophobicContact CG2-CD1 4.25Å; T142-I154 HydrophobicContact CG2-CD1 3.58Å; P150-I154 HydrophobicContact CB-CD1 4.35Å; Q152-I154 PolarHBondContact O-N 3.34Å
155R90.1Very high88.5Confident22 Ų2257.2 Ų57.28%0.08328%0.283CS..EExtended strand (participates in β ladder)trans-137.9155-175.664.1-178.377.9-151.311.6111.7T7 T8 C40 L41 D153 Q185 L186T7-R155 VanDerWaalsContact CA-O 3.31Å; T7-R155 WeakPolarHBondContact CA-O 3.31Å; T8-R155 HydrophobicContact CG2-CG 3.46Å; T8-R155 VanDerWaalsContact CG2-CG 3.46Å; T8-R155 PolarHBondContact N-O 3.36Å; T8-R155 PolarHBondContact OG1-N 2.83Å; C40-R155 CarbonylContact O-C 3.51Å; C40-R155 VanDerWaalsContact O-CA 3.24Å; C40-R155 WeakPolarHBondContact O-CA 3.23Å; C40-R155 WeakPolarHBondContact O-CB 3.38Å; L41-R155 HydrophobicContact CD2-CB 4Å; D153-R155 IonicContact OD2-CZ 3.61Å; D153-R155 IonicContact OD2-NE 3.82Å; D153-R155 IonicContact OD2-NH2 2.77Å; D153-R155 PolarHBondContact OD2-NH2 3.45Å; R155-Q185 PolarHBondContact NH1-O 3.26Å; R155-L186 PolarHBondContact NH2-O 2.62Å
156I92.3Very high88.3Confident3 Ų356 Ų562%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-83.8109.6170.1-57.5170.8000106.6L5 E6 T7 Y37 N38 Y39 C40 T53 F108 T159L5-I156 HydrophobicContact CD1-CD1 4.49Å; L5-I156 HydrophobicContact CD2-CG2 4.48Å; E6-I156 CarbonylContact O-C 3.59Å; T7-I156 HydrophobicContact CG2-CG1 4.47Å; Y37-I156 WeakPolarHBondContact O-CB 3.46Å; N38-I156 CarbonylContact C-O 3.58Å; Y39-I156 WeakPolarHBondContact CA-O 2.98Å; Y39-I156 PolarHBondContact N-O 3.44Å; C40-I156 PolarHBondContact O-N 3.49Å; T53-I156 HydrophobicContact CG2-CD1 4.12Å; F108-I156 HydrophobicContact CZ-CD1 4.17Å; I156-T159 HydrophobicContact CG2-CG2 3.75Å
157N89.3Confident88.1Confident54 Ų5454.4 Ų54.429%0.28928%0.275SS..EExtended strand (participates in β ladder)trans-73.1-48.5179.5-70.6-24.4000110.6E6E6-N157 PolarHBondContact O-N 3.28Å
158H88.8Confident87.7Confident45 Ų4552.7 Ų52.721%0.20827%0.266CS..EExtended strand (participates in β ladder)trans-147.4151.4-173-171.3-117.9000111.6E6 K35 V160 S178E6-H158 HydrophobicContact CB-CB 4.1Å; E6-H158 HydrophobicContact CG-CB 4.4Å; E6-H158 PolarHBondContact N-O 3.02Å; E6-H158 PolarHBondContact O-N 2.78Å; E6-H158 IonicContact OE1-ND1 2.71Å; E6-H158 PolarHBondContact OE1-ND1 3.14Å; E6-H158 WeakPolarHBondContact OE2-CB 3.24Å; E6-H158 IonicContact OE2-CG 3.42Å; E6-H158 IonicContact OE2-ND1 2.9Å; K35-H158 PolarHBondContact NZ-NE2 2.93Å; H158-V160 WeakPolarHBondContact CE1-CG2 3.09Å; H158-V160 VanDerWaalsContact ND1-CG2 3.27Å; H158-V160 WeakPolarHBondContact ND1-CG2 2.73Å; H158-S178 PolarHBondContact CD2-OG 3.23Å; H158-S178 PolarHBondContact NE2-OG 2.99Å
159T91.6Very high87.1Confident0 Ų050 Ų500%026%0.258CS..EExtended strand (participates in β ladder)trans-123.1123.3176.355.30000109.5L4 L5 C32 K35 N38 I156L4-T159 WeakPolarHBondContact O-CA 3.48Å; L5-T159 HydrophobicContact CD2-CG2 3.43Å; L5-T159 VanDerWaalsContact CD2-CG2 3.43Å; C32-T159 PolarHBondContact O-OG1 3.33Å; K35-T159 PolarHBondContact NZ-O 3.2Å; N38-T159 PolarHBondContact OD1-OG1 3.1Å; I156-T159 HydrophobicContact CG2-CG2 3.75Å
160V90.5Very high86Confident43 Ų4352.2 Ų52.226%0.26129%0.285SS..EExtended strand (participates in β ladder)trans-116.1125.2178.4-176.90000108.4L4 H158 L162L4-V160 HydrophobicContact CB-CB 4.16Å; L4-V160 HydrophobicContact CD2-CB 4.25Å; L4-V160 HydrophobicContact CD2-CG2 4.38Å; L4-V160 PolarHBondContact N-O 3.34Å; L4-V160 PolarHBondContact O-N 3.46Å; H158-V160 WeakPolarHBondContact CE1-CG2 3.09Å; H158-V160 VanDerWaalsContact ND1-CG2 3.27Å; H158-V160 WeakPolarHBondContact ND1-CG2 2.73Å; V160-L162 HydrophobicContact CG1-CD2 4.32Å
161I91.1Very high85.2Confident41 Ų4158.8 Ų58.821%0.2132%0.32CS..EExtended strand (participates in β ladder)trans-92117.2175.5-60.1164.3000107V3 L29 C32 K33 D164V3-I161 HydrophobicContact CG2-CG1 4.44Å; L29-I161 HydrophobicContact CD2-CG1 4.35Å; L29-I161 HydrophobicContact CD2-CG2 3.8Å; L29-I161 WeakPolarHBondContact O-CD1 3.17Å; C32-I161 HydrophobicContact CB-CD1 3.87Å; C32-I161 HydrophobicContact CB-CG1 3.9Å; K33-I161 HydrophobicContact CB-CD1 4.16Å; K33-I161 HydrophobicContact CD-CD1 4.27Å; K33-I161 HydrophobicContact CG-CD1 3.2Å; I161-D164 HydrophobicContact CG2-CB 3.98Å
162L88.4Confident84.7Confident101 Ų10154.9 Ų54.953%0.52930%0.303SS..SBendtrans-79.2-39.2-180-58.8176.6000110.4A2 L4 V13 V160A2-L162 HydrophobicContact CB-CB 4.42Å; A2-L162 HydrophobicContact CB-CD1 3.86Å; A2-L162 WeakPolarHBondContact O-CB 3.27Å; A2-L162 PolarHBondContact O-N 3.24Å; A2-L162 VanDerWaalsContact O-N 3.07Å; L4-L162 HydrophobicContact CB-CG 4.46Å; V13-L162 HydrophobicContact CG1-CD1 4.31Å; V160-L162 HydrophobicContact CG1-CD2 4.32Å
163E84.5Confident84Confident113 Ų11356.7 Ų56.753%0.52832%0.319SS..  trans-147.5123-179.1-170.3179.6-159.300110
164D86.3Confident83.5Confident42 Ų4260.2 Ų60.223%0.22534%0.34CS..  trans-115.3114.6173-171.6-2.3000109.6K30 K33 I161 F166K30-D164 IonicContact NZ-OD1 2.76Å; K30-D164 IonicContact NZ-OD2 2.62Å; K30-D164 PolarHBondContact NZ-OD2 3.48Å; K33-D164 WeakPolarHBondContact CE-OD2 3.47Å; K33-D164 IonicContact NZ-OD2 3.86Å; K33-D164 PolarHBondContact NZ-OD2 3.44Å; I161-D164 HydrophobicContact CG2-CB 3.98Å; D164-F166 PolarHBondContact OD1-N 2.94Å
165P86.1Confident82.8Confident60 Ų6062.5 Ų62.539%0.3936%0.355SS..  trans-83.7-11.717841.2-45.6000113.2M1 T18M1-P165 HydrophobicContact CE-CB 3.48Å; M1-P165 VanDerWaalsContact CE-CB 3.48Å; M1-P165 HydrophobicContact CE-CG 3.76Å; M1-P165 HydrophobicContact SD-CB 3.56Å; M1-P165 VanDerWaalsContact SD-CB 3.56Å; M1-P165 VanDerWaalsContact SD-CD 3.51Å; M1-P165 HydrophobicContact SD-CG 3.19Å; M1-P165 WeakPolarHBondContact SD-CG 3.43Å; T18-P165 HydrophobicContact CG2-CG 4.31Å
166F84.8Confident81.7Confident48 Ų4869.5 Ų69.521%0.21139%0.394CS..SBendtrans-102.9137.9-168.2-62.6-71.5000110.6T18 P22 L26 L29 K30 D164T18-F166 HydrophobicContact CG2-CE2 3.89Å; T18-F166 HydrophobicContact CG2-CZ 4.32Å; P22-F166 HydrophobicContact CB-CE1 4.27Å; P22-F166 HydrophobicContact CB-CZ 4.21Å; L26-F166 HydrophobicContact CB-CD2 4.23Å; L26-F166 HydrophobicContact CB-CE2 4.41Å; L26-F166 HydrophobicContact CB-CG 4.41Å; L26-F166 HydrophobicContact CD1-CB 4.42Å; L26-F166 HydrophobicContact CD1-CD1 4.34Å; L26-F166 HydrophobicContact CD1-CG 4.34Å; L26-F166 HydrophobicContact CG-CG 4.47Å; L29-F166 HydrophobicContact CD1-CD2 3.72Å; L29-F166 HydrophobicContact CD1-CE2 3.98Å; K30-F166 PolarHBondContact NZ-O 2.83Å; D164-F166 PolarHBondContact OD1-N 2.94Å
167D83Confident80.6Confident153 Ų15379.7 Ų79.782%0.81843%0.432SS*.PPolyproline II helixtrans-60.3145.1171.9-64.7-42.8000111.4K30K30-D167 WeakPolarHBondContact CE-O 3.27Å; K30-D167 PolarHBondContact NZ-O 2.92Å
168D79.3Confident79.8Confident82 Ų8279.4 Ų79.444%0.43944%0.435SS..PPolyproline II helixtrans-78.7130.7176.4-72.3-37.6000110.6K30 K33 A170K30-D168 WeakPolarHBondContact CE-OD1 3.4Å; K30-D168 IonicContact NZ-OD1 2.67Å; K30-D168 PolarHBondContact NZ-OD1 3.35Å; K33-D168 WeakPolarHBondContact CD-OD1 3.39Å; K33-D168 IonicContact NZ-OD1 2.68Å; K33-D168 PolarHBondContact NZ-OD1 3.16Å; K33-D168 IonicContact NZ-OD2 2.75Å; K33-D168 PolarHBondContact NZ-OD2 3.07Å; D168-A170 PolarHBondContact O-N 3.02Å
169P77.4Confident79Confident39 Ų3980.4 Ų80.425%0.25345%0.445SS..PPolyproline II helixtrans-65.1137171.721.6-24.1000109.8L70 D171 L172L70-P169 HydrophobicContact CD1-CB 4.06Å; L70-P169 HydrophobicContact CD1-CG 3.74Å; L70-P169 HydrophobicContact CD2-CB 4.27Å; L70-P169 HydrophobicContact CD2-CG 4.24Å; P169-D171 PolarHBondContact O-N 3.47Å; P169-D171 VanDerWaalsContact O-N 3.08Å; P169-L172 HydrophobicContact CG-CB 4.17Å; P169-L172 HydrophobicContact CG-CD1 4.36Å; P169-L172 WeakPolarHBondContact O-CB 3.48Å; P169-L172 PolarHBondContact O-N 2.92Å; P169-L172 VanDerWaalsContact O-N 3.09Å
170A66.1Low77.9Confident105 Ų10588.8 Ų88.887%0.86848%0.484SS*.THydrogen-bonded Turntrans-58.9-26.7-168.700000115D168D168-A170 PolarHBondContact O-N 3.02Å
171D72.3Confident76.9Confident138 Ų13888.4 Ų88.474%0.73848%0.483SS*.THydrogen-bonded Turntrans-98.615.1-177.9-62-48.7000113.4L70 P169 P173L70-D171 HydrophobicContact CD2-CB 4.29Å; P169-D171 PolarHBondContact O-N 3.47Å; P169-D171 VanDerWaalsContact O-N 3.08Å; D171-P173 VanDerWaalsContact O-CD 3.26Å; D171-P173 WeakPolarHBondContact O-CD 3.24Å
172L74.9Confident76Confident19 Ų1990.1 Ų90.110%0.09950%0.495CS..  trans-75.7118.1-179-161.972.1000110.9K30 K33 I34 V66 L70 P169 V174K30-L172 HydrophobicContact CB-CD1 4.49Å; K30-L172 HydrophobicContact CB-CD2 4.08Å; K30-L172 HydrophobicContact CD-CD2 4.14Å; K30-L172 HydrophobicContact CG-CD2 4.39Å; K33-L172 HydrophobicContact CB-CD2 4.4Å; I34-L172 HydrophobicContact CG2-CD1 3.71Å; I34-L172 HydrophobicContact CG2-CD2 3.89Å; I34-L172 HydrophobicContact CG2-CG 3.56Å; V66-L172 HydrophobicContact CG2-CD1 3.55Å; L70-L172 HydrophobicContact CD2-CB 4.5Å; L70-L172 HydrophobicContact CD2-CD1 4.08Å; L70-L172 HydrophobicContact CG-CD1 4.46Å; P169-L172 HydrophobicContact CG-CB 4.17Å; P169-L172 HydrophobicContact CG-CD1 4.36Å; P169-L172 WeakPolarHBondContact O-CB 3.48Å; P169-L172 PolarHBondContact O-N 2.92Å; P169-L172 VanDerWaalsContact O-N 3.09Å; L172-V174 VanDerWaalsContact C-N 3.34Å; L172-V174 HydrophobicContact CB-CG2 4.45Å; L172-V174 HydrophobicContact CD2-CG2 3.91Å; L172-V174 HydrophobicContact CG-CG2 4.19Å; L172-V174 PolarHBondContact O-N 3.42Å
173P71.7Confident74.8Confident81 Ų8194 Ų9453%0.52651%0.508SS..  trans-77.486.5177.531.6-33.3000109.5I34 D171 P175I34-P173 WeakPolarHBondContact CG2-O 3.49Å; D171-P173 VanDerWaalsContact O-CD 3.26Å; D171-P173 WeakPolarHBondContact O-CD 3.24Å; P173-P175 WeakPolarHBondContact O-CD 3.4Å
174V76Confident73.9Confident74 Ų7496.6 Ų96.645%0.44852%0.52SS..  trans-83.9114.6173.6-176.80000108.3K33 L172K33-V174 HydrophobicContact CB-CG2 4.46Å; L172-V174 VanDerWaalsContact C-N 3.34Å; L172-V174 HydrophobicContact CB-CG2 4.45Å; L172-V174 HydrophobicContact CD2-CG2 3.91Å; L172-V174 HydrophobicContact CG-CG2 4.19Å; L172-V174 PolarHBondContact O-N 3.42Å
175P74.1Confident73Confident49 Ų4997.3 Ų97.332%0.31852%0.522SS..  trans-73.4138.417730.6-32.7000110.3K35 P173 R177K35-P175 HydrophobicContact CB-CG 4.38Å; K35-P175 HydrophobicContact CG-CG 4.04Å; P173-P175 WeakPolarHBondContact O-CD 3.4Å; P175-R177 PolarHBondContact O-N 3Å
176D67.9Low72Confident169 Ų16998.6 Ų98.690%0.90453%0.525SS*.SBendtrans-62.9-22.4178.9-66.4-31.8000113.1
177R69.6Low71Confident217 Ų217102.5 Ų102.582%0.81955%0.548SS*.SBendtrans-140.2149.9179.1-63.8-174.7-179.7-167.3-1.4110.2P175P175-R177 PolarHBondContact O-N 3Å
178S71.1Confident70Confident48 Ų4897 Ų9734%0.33652%0.522SS..PPolyproline II helixtrans-55.4124.5170.8-65.80000109.4N38 H158N38-S178 PolarHBondContact ND2-OG 3.26Å; H158-S178 PolarHBondContact CD2-OG 3.23Å; H158-S178 PolarHBondContact NE2-OG 2.99Å
179P71.9Confident69.1Low66 Ų6696.5 Ų96.543%0.42954%0.536SS..PPolyproline II helixtrans-62.3142.1-179.825-32.4000109.8K35K35-P179 HydrophobicContact CB-CG 4.46Å
180E69.6Low69Low177 Ų17797.2 Ų97.283%0.82753%0.534SS*.PPolyproline II helixtrans-64.3141.6172.4-70.6-175.2177.400109.7T182E180-T182 PolarHBondContact O-N 3.16Å
181P69.1Low69.3Low34 Ų3495.3 Ų95.322%0.22151%0.508CS..PPolyproline II helixtrans-63.7132.2-17923.5-29.7000110.4Y39 L186Y39-P181 HydrophobicContact CD1-CB 3.82Å; Y39-P181 HydrophobicContact CD1-CG 4.34Å; Y39-P181 HydrophobicContact CD2-CB 3.62Å; Y39-P181 HydrophobicContact CD2-CG 4.36Å; Y39-P181 HydrophobicContact CE1-CB 3.8Å; Y39-P181 HydrophobicContact CE1-CG 3.81Å; Y39-P181 HydrophobicContact CE2-CB 3.58Å; Y39-P181 HydrophobicContact CE2-CG 3.82Å; Y39-P181 HydrophobicContact CG-CB 3.73Å; Y39-P181 WeakPolarHBondContact OH-CD 3.45Å; P181-L186 HydrophobicContact CB-CD1 4.1Å; P181-L186 HydrophobicContact CB-CD2 3.85Å; P181-L186 HydrophobicContact CB-CG 3.84Å; P181-L186 HydrophobicContact CG-CD1 3.96Å; P181-L186 HydrophobicContact CG-CD2 3.99Å; P181-L186 HydrophobicContact CG-CG 4.17Å
182T71.8Confident69Low77 Ų7789.9 Ų89.947%0.47249%0.485SS..PPolyproline II helixtrans-68.7145.9174.9-41.40000109.3E180 E184 Q185 L186E180-T182 PolarHBondContact O-N 3.16Å; T182-E184 PolarHBondContact O-N 3.42Å; T182-E184 VanDerWaalsContact O-N 3.12Å; T182-Q185 VanDerWaalsContact N-OE1 3.07Å; T182-Q185 WeakPolarHBondContact O-CA 3.36Å; T182-Q185 WeakPolarHBondContact O-CB 3.26Å; T182-Q185 PolarHBondContact O-N 2.9Å; T182-Q185 PolarHBondContact OG1-OE1 2.91Å; T182-L186 PolarHBondContact O-N 3.13Å; T182-L186 VanDerWaalsContact O-N 3.14Å
183K64.1Low68.3Low182 Ų18290.6 Ų90.679%0.79149%0.494SS*.Hα-helixtrans-53.6-34.9178.7-70.4-176.4178.6-179.50113.3Q185 L186 D187K183-Q185 VanDerWaalsContact C-N 3.33Å; K183-Q185 PolarHBondContact O-N 2.79Å; K183-L186 PolarHBondContact O-N 3.43Å; K183-D187 WeakPolarHBondContact O-CB 3.1Å; K183-D187 PolarHBondContact O-N 3.38Å
184E65.1Low67.7Low169 Ų16994.4 Ų94.479%0.7951%0.509SS*.Hα-helixtrans-69.7-26.4176.3-61.3178.5178.600113.4T182T182-E184 PolarHBondContact O-N 3.42Å; T182-E184 VanDerWaalsContact O-N 3.12Å
185Q67Low66.9Low57 Ų5796.3 Ų96.327%0.26651%0.513SS..Hα-helixtrans-82.5-24.3175-63.1175.1-71.400111.7R155 T182 K183R155-Q185 PolarHBondContact NH1-O 3.26Å; T182-Q185 VanDerWaalsContact N-OE1 3.07Å; T182-Q185 WeakPolarHBondContact O-CA 3.36Å; T182-Q185 WeakPolarHBondContact O-CB 3.26Å; T182-Q185 PolarHBondContact O-N 2.9Å; T182-Q185 PolarHBondContact OG1-OE1 2.91Å; K183-Q185 VanDerWaalsContact C-N 3.33Å; K183-Q185 PolarHBondContact O-N 2.79Å
186L65.5Low66.1Low86 Ų8699.6 Ų99.645%0.4553%0.532SS..Hα-helixtrans-80.5-38.7174.7-68.8171.1000111.7R155 P181 T182 K183 S188R155-L186 PolarHBondContact NH2-O 2.62Å; P181-L186 HydrophobicContact CB-CD1 4.1Å; P181-L186 HydrophobicContact CB-CD2 3.85Å; P181-L186 HydrophobicContact CB-CG 3.84Å; P181-L186 HydrophobicContact CG-CD1 3.96Å; P181-L186 HydrophobicContact CG-CD2 3.99Å; P181-L186 HydrophobicContact CG-CG 4.17Å; T182-L186 PolarHBondContact O-N 3.13Å; T182-L186 VanDerWaalsContact O-N 3.14Å; K183-L186 PolarHBondContact O-N 3.43Å; L186-S188 VanDerWaalsContact C-N 3.31Å; L186-S188 PolarHBondContact O-N 2.9Å
187D63Low65.5Low131 Ų13195.7 Ų95.770%0.70151%0.511SS*.  trans-83.870179.8-167.115.6000111.6K183 G189K183-D187 WeakPolarHBondContact O-CB 3.1Å; K183-D187 PolarHBondContact O-N 3.38Å; D187-G189 PolarHBondContact O-N 3.41Å
188S63.4Low64.6Low37 Ų3789 Ų8926%0.25949%0.491SS..  trans-75.8-6.3175.862.50000113.2D153 L186 R190D153-S188 PolarHBondContact OD1-OG 3.44Å; D153-S188 WeakPolarHBondContact OD2-CB 3.2Å; D153-S188 PolarHBondContact OD2-OG 3.36Å; L186-S188 VanDerWaalsContact C-N 3.31Å; L186-S188 PolarHBondContact O-N 2.9Å; S188-R190 PolarHBondContact O-N 2.77Å; S188-R190 WeakPolarHBondContact OG-CB 3.5Å; S188-R190 PolarHBondContact OG-N 3.06Å
189G60.4Low63.8Low72 Ų7293.1 Ų93.174%0.74251%0.509SS*.SBendtrans6510.4-170.700000114.3D187D187-G189 PolarHBondContact O-N 3.41Å
190R75.1Confident62.9Low54 Ų5493 Ų9320%0.20451%0.507CS..SBendtrans-100165.4177.9-61.7-175.9-167.4166.73.7111.2I42 P150 D153 S188 G192I42-R190 PolarHBondContact O-NH1 3.34Å; P150-R190 WeakPolarHBondContact O-CD 3.19Å; D153-R190 HydrophobicContact CB-CB 3.91Å; D153-R190 WeakPolarHBondContact OD1-CD 3.29Å; D153-R190 IonicContact OD1-NH1 3.78Å; S188-R190 PolarHBondContact O-N 2.77Å; S188-R190 WeakPolarHBondContact OG-CB 3.5Å; S188-R190 PolarHBondContact OG-N 3.06Å; R190-G192 PolarHBondContact O-N 2.76Å
191I71.5Confident61.7Low65 Ų6590.8 Ų90.833%0.33350%0.501SS..BIsolated β-bridgetrans-60.7126.2174.8-61.6171.5000107.8F151 D153 E195 I197F151-I191 PolarHBondContact O-N 2.85Å; D153-I191 WeakPolarHBondContact CB-O 3.39Å; D153-I191 PolarHBondContact N-O 2.84Å; I191-E195 HydrophobicContact CG2-CB 3.76Å; I191-E195 WeakPolarHBondContact CG2-OE2 3.3Å; I191-I197 HydrophobicContact CG2-CG1 4.42Å
192G66.1Low60.8Low24 Ų2492.8 Ų92.825%0.24753%0.528CS..PPolyproline II helixtrans-58.7146.9-176.800000111.6R190 D194 E195R190-G192 PolarHBondContact O-N 2.76Å; G192-D194 PolarHBondContact O-N 2.88Å; G192-D194 VanDerWaalsContact O-N 3.16Å; G192-E195 PolarHBondContact N-OE2 2.92Å; G192-E195 VanDerWaalsContact N-OE2 3.12Å; G192-E195 WeakPolarHBondContact O-CB 3.39Å; G192-E195 PolarHBondContact O-N 2.67Å
193A61.2Low59.9Low34 Ų3493.7 Ų93.728%0.28153%0.526SS..THydrogen-bonded Turntrans-57.8-30.1176.900000112.6T8 Q152T8-A193 HydrophobicContact CG2-CB 3.7Å; Q152-A193 PolarHBondContact NE2-O 3.48Å
194D58.4Low59.5Low160 Ų16092.2 Ų92.286%0.85652%0.519SS*.THydrogen-bonded Turntrans-87.7-5.3179.1-58.9-30.2000113.4G192 V196G192-D194 PolarHBondContact O-N 2.88Å; G192-D194 VanDerWaalsContact O-N 3.16Å; D194-V196 PolarHBondContact O-N 2.98Å
195E59.6Low59.1Low114 Ų11488 Ų8853%0.53351%0.513SS..SBendtrans-82.3106176.2-65.9-175.5159.600108.8I191 G192 I197I191-E195 HydrophobicContact CG2-CB 3.76Å; I191-E195 WeakPolarHBondContact CG2-OE2 3.3Å; G192-E195 PolarHBondContact N-OE2 2.92Å; G192-E195 VanDerWaalsContact N-OE2 3.12Å; G192-E195 WeakPolarHBondContact O-CB 3.39Å; G192-E195 PolarHBondContact O-N 2.67Å; E195-I197 PolarHBondContact O-N 3.01Å; E195-I197 VanDerWaalsContact O-N 3.13Å
196V56.7Low58.7Low119 Ų11992.3 Ų92.372%0.72153%0.533SS*.  trans-61.7116172.6-175.30000107.6D194 N198D194-V196 PolarHBondContact O-N 2.98Å; V196-N198 HydrophobicContact CG1-CB 4.47Å; V196-N198 PolarHBondContact O-N 2.82Å
197I54.9Low58.4Low87 Ų8793.1 Ų93.145%0.44654%0.535SS..  trans-69.383.5171.1-55.6173000106.9Q152 I191 E195Q152-I197 HydrophobicContact CB-CD1 4.4Å; I191-I197 HydrophobicContact CG2-CG1 4.42Å; E195-I197 PolarHBondContact O-N 3.01Å; E195-I197 VanDerWaalsContact O-N 3.13Å
198N51.3Low57.9Low76 Ų7689.9 Ų89.941%0.40652%0.517SS..  trans-91.8103.2177.4-1291000107V196 T200 D201V196-N198 HydrophobicContact CG1-CB 4.47Å; V196-N198 PolarHBondContact O-N 2.82Å; N198-T200 PolarHBondContact O-N 3.12Å; N198-T200 PolarHBondContact OD1-OG1 2.77Å; N198-D201 HydrophobicContact CB-CB 3.99Å; N198-D201 WeakPolarHBondContact CB-OD2 3.49Å; N198-D201 PolarHBondContact ND2-OD2 2.85Å; N198-D201 PolarHBondContact O-N 3.01Å
199D54.4Low58Low134 Ų13492.4 Ų92.472%0.71753%0.528SS*.THydrogen-bonded Turntrans-58-4.2173.7-75.2-27.2000113.7K203D199-K203 PolarHBondContact O-NZ 3.26Å
200T52.3Low58.7Low63 Ų6394.6 Ų94.639%0.38752%0.518SS..THydrogen-bonded Turntrans-105.9-20.9-179.1480000114.3N198 G202 L208N198-T200 PolarHBondContact O-N 3.12Å; N198-T200 PolarHBondContact OD1-OG1 2.77Å; T200-G202 PolarHBondContact O-N 2.87Å; T200-L208 HydrophobicContact CG2-CD1 3.73Å
201D45.1Very low58.3Low132 Ų13295.3 Ų95.371%0.70653%0.526SS*.THydrogen-bonded Turntrans-82.686.9-177.6-85.5-40.2000110.8N198N198-D201 HydrophobicContact CB-CB 3.99Å; N198-D201 WeakPolarHBondContact CB-OD2 3.49Å; N198-D201 PolarHBondContact ND2-OD2 2.85Å; N198-D201 PolarHBondContact O-N 3.01Å
202G50.5Low58.2Low76 Ų7696.3 Ų96.378%0.78453%0.531SS*.THydrogen-bonded Turntrans147.4-16.2176.600000113.9T200T200-G202 PolarHBondContact O-N 2.87Å
203K51.9Low58.8Low96 Ų96101.4 Ų101.442%0.41755%0.547SS..SBendtrans-77.5128.1170.9-68.7178-176.6162.10108.3D199 E207 L211D199-K203 PolarHBondContact O-NZ 3.26Å; K203-E207 HydrophobicContact CB-CB 4.32Å; K203-L211 HydrophobicContact CD-CD1 4.46Å
204K55.8Low59.5Low151 Ų151104.4 Ų104.466%0.65756%0.555SS**  trans-55.3146172.6-75.6177176.4176.90108.6E206 E207 L208K204-E206 PolarHBondContact O-N 3.44Å; K204-E207 PolarHBondContact O-N 3.06Å; K204-L208 PolarHBondContact O-N 2.92Å
205A56.8Low60.2Low80 Ų80103.6 Ų103.666%0.66154%0.544SS*.Hα-helixtrans-48.4-30.6178.700000113.3L208 D209A205-L208 PolarHBondContact O-N 3.23Å; A205-D209 PolarHBondContact O-N 3.45Å; A205-D209 VanDerWaalsContact O-N 3.15Å
206E58.6Low61Low148 Ų148103.1 Ų103.169%0.69254%0.542SS*.Hα-helixtrans-64.7-39176.1-63178.5158.300114K204 L208 E210K204-E206 PolarHBondContact O-N 3.44Å; E206-L208 VanDerWaalsContact C-N 3.35Å; E206-E210 PolarHBondContact O-N 3.07Å
207E60Low61.9Low102 Ų102100 Ų10048%0.47753%0.529SS..Hα-helixtrans-76.1-27.8179-69.5179.1172.400111.9K203 K204 L211K203-E207 HydrophobicContact CB-CB 4.32Å; K204-E207 PolarHBondContact O-N 3.06Å; E207-L211 PolarHBondContact O-N 2.82Å
208L51.8Low62.8Low64 Ų64101.4 Ų101.434%0.33553%0.532SS..Hα-helixtrans-70.8-41.7176.4-154.278.3000111.1T200 K204 A205 E206 L211 L212T200-L208 HydrophobicContact CG2-CD1 3.73Å; K204-L208 PolarHBondContact O-N 2.92Å; A205-L208 PolarHBondContact O-N 3.23Å; E206-L208 VanDerWaalsContact C-N 3.35Å; L208-L211 PolarHBondContact O-N 2.84Å; L208-L212 WeakPolarHBondContact O-CB 3.34Å; L208-L212 PolarHBondContact O-N 3.26Å
209D65.9Low63.7Low90 Ų90102 Ų10248%0.48154%0.538SS..Hα-helixtrans-63.8-41174-105.428.2000112.2A205 L212 K213A205-D209 PolarHBondContact O-N 3.45Å; A205-D209 VanDerWaalsContact O-N 3.15Å; D209-L212 PolarHBondContact O-N 2.74Å; D209-K213 WeakPolarHBondContact O-CB 3.38Å; D209-K213 VanDerWaalsContact O-CG 3.29Å; D209-K213 WeakPolarHBondContact O-CG 3.44Å; D209-K213 PolarHBondContact O-N 2.96Å
210E75.1Confident64.7Low117 Ų117101.3 Ų101.355%0.54753%0.531SS..Hα-helixtrans-63.1-42.7176.1-77-170.116500111.6E206 K213 E214E206-E210 PolarHBondContact O-N 3.07Å; E210-K213 PolarHBondContact O-N 3.3Å; E210-E214 WeakPolarHBondContact O-CB 3.38Å; E210-E214 PolarHBondContact O-N 2.92Å
211L67.3Low65.3Low69 Ų69100 Ų10036%0.36153%0.527SS..Hα-helixtrans-67.4-38.3177-83.4169.1000113K203 E207 L208 E214 K215K203-L211 HydrophobicContact CD-CD1 4.46Å; E207-L211 PolarHBondContact O-N 2.82Å; L208-L211 PolarHBondContact O-N 2.84Å; L211-E214 PolarHBondContact O-N 2.86Å; L211-K215 WeakPolarHBondContact O-CB 3.31Å; L211-K215 WeakPolarHBondContact O-CG 3.36Å; L211-K215 PolarHBondContact O-N 3.43Å
212L68.9Low66.4Low86 Ų8697.9 Ų97.945%0.4551%0.514SS..Hα-helixtrans-63-47.8174-88159.4000110.5L208 D209 E214 K215 E216L208-L212 WeakPolarHBondContact O-CB 3.34Å; L208-L212 PolarHBondContact O-N 3.26Å; D209-L212 PolarHBondContact O-N 2.74Å; L212-E214 VanDerWaalsContact C-N 3.32Å; L212-E214 PolarHBondContact O-N 3.12Å; L212-K215 PolarHBondContact O-N 2.89Å; L212-E216 WeakPolarHBondContact O-CB 3.35Å; L212-E216 VanDerWaalsContact O-CG 3.28Å; L212-E216 WeakPolarHBondContact O-CG 3.13Å; L212-E216 PolarHBondContact O-N 2.85Å
213K78.4Confident67.2Low131 Ų13199.3 Ų99.357%0.5750%0.503SS*.Hα-helixtrans-60.2-39.8175.7-75.4172.6-177.3170.30112.6D209 E210 E216 A217D209-K213 WeakPolarHBondContact O-CB 3.38Å; D209-K213 VanDerWaalsContact O-CG 3.29Å; D209-K213 WeakPolarHBondContact O-CG 3.44Å; D209-K213 PolarHBondContact O-N 2.96Å; E210-K213 PolarHBondContact O-N 3.3Å; K213-E216 PolarHBondContact O-N 3.3Å; K213-A217 WeakPolarHBondContact O-CB 3.3Å; K213-A217 PolarHBondContact O-N 3.19Å
214E76.2Confident67.7Low98 Ų9898.2 Ų98.246%0.45850%0.501SS..Hα-helixtrans-69.8-38.5178.6-158.1-169.7158.300111.8E210 L211 L212 K218E210-E214 WeakPolarHBondContact O-CB 3.38Å; E210-E214 PolarHBondContact O-N 2.92Å; L211-E214 PolarHBondContact O-N 2.86Å; L212-E214 VanDerWaalsContact C-N 3.32Å; L212-E214 PolarHBondContact O-N 3.12Å; E214-K218 WeakPolarHBondContact O-CB 3.2Å; E214-K218 VanDerWaalsContact O-CG 3.27Å; E214-K218 WeakPolarHBondContact O-CG 3.36Å; E214-K218 PolarHBondContact O-N 3.12Å; E214-K218 WeakPolarHBondContact OE1-CE 3.21Å; E214-K218 IonicContact OE1-NZ 3.79Å; E214-K218 PolarHBondContact OE1-NZ 3.03Å
215K72.1Confident68Low142 Ų14295.3 Ų95.362%0.61749%0.49SS*.Hα-helixtrans-66.6-44.6173.2-76.8-179177.7-177.80111.4L211 L212 K218 T219L211-K215 WeakPolarHBondContact O-CB 3.31Å; L211-K215 WeakPolarHBondContact O-CG 3.36Å; L211-K215 PolarHBondContact O-N 3.43Å; L212-K215 PolarHBondContact O-N 2.89Å; K215-K218 PolarHBondContact O-N 2.81Å; K215-T219 WeakPolarHBondContact O-CG2 3.21Å; K215-T219 PolarHBondContact O-N 2.94Å; K215-T219 PolarHBondContact O-OG1 2.83Å; K215-T219 VanDerWaalsContact O-OG1 3.05Å
216E76.2Confident67.8Low104 Ų10498.5 Ų98.549%0.48649%0.493SS..Hα-helixtrans-59.7-48.3176.1-77.3175.7177.900110.7L212 K213 K218 T219 Q220L212-E216 WeakPolarHBondContact O-CB 3.35Å; L212-E216 VanDerWaalsContact O-CG 3.28Å; L212-E216 WeakPolarHBondContact O-CG 3.13Å; L212-E216 PolarHBondContact O-N 2.85Å; K213-E216 PolarHBondContact O-N 3.3Å; E216-K218 VanDerWaalsContact C-N 3.34Å; E216-K218 PolarHBondContact O-N 2.84Å; E216-T219 VanDerWaalsContact CA-OG1 3.3Å; E216-T219 WeakPolarHBondContact CA-OG1 3.5Å; E216-T219 PolarHBondContact O-N 3.43Å; E216-T219 PolarHBondContact O-OG1 3.29Å; E216-Q220 WeakPolarHBondContact O-CB 3.4Å; E216-Q220 WeakPolarHBondContact O-CG 3.48Å; E216-Q220 PolarHBondContact O-N 2.98Å
217A76Confident68.2Low55 Ų5595.9 Ų95.946%0.45549%0.487SS..Hα-helixtrans-60.1-42.1176.200000112.1K213 Q220 A221K213-A217 WeakPolarHBondContact O-CB 3.3Å; K213-A217 PolarHBondContact O-N 3.19Å; A217-Q220 PolarHBondContact O-N 2.79Å; A217-A221 VanDerWaalsContact O-CB 3.31Å; A217-A221 WeakPolarHBondContact O-CB 3.35Å; A217-A221 PolarHBondContact O-N 2.98Å
218K73.2Confident67.8Low115 Ų11593.4 Ų93.450%0.549%0.489SS..Hα-helixtrans-64-45.2174.5-76.3171.6-173.4166.60111.8E214 K215 E216 Q220 A221 I222E214-K218 WeakPolarHBondContact O-CB 3.2Å; E214-K218 VanDerWaalsContact O-CG 3.27Å; E214-K218 WeakPolarHBondContact O-CG 3.36Å; E214-K218 PolarHBondContact O-N 3.12Å; E214-K218 WeakPolarHBondContact OE1-CE 3.21Å; E214-K218 IonicContact OE1-NZ 3.79Å; E214-K218 PolarHBondContact OE1-NZ 3.03Å; K215-K218 PolarHBondContact O-N 2.81Å; E216-K218 VanDerWaalsContact C-N 3.34Å; E216-K218 PolarHBondContact O-N 2.84Å; K218-Q220 VanDerWaalsContact C-N 3.35Å; K218-Q220 PolarHBondContact O-N 2.91Å; K218-A221 PolarHBondContact O-N 2.84Å; K218-I222 WeakPolarHBondContact O-CD1 3.29Å; K218-I222 VanDerWaalsContact O-CG1 3.22Å; K218-I222 WeakPolarHBondContact O-CG1 3.31Å; K218-I222 PolarHBondContact O-N 2.85Å
219T71.8Confident67.6Low89 Ų8994.7 Ų94.755%0.54650%0.496SS..Hα-helixtrans-66-37.1178.150.80000112.5K215 E216 I222 L223K215-T219 WeakPolarHBondContact O-CG2 3.21Å; K215-T219 PolarHBondContact O-N 2.94Å; K215-T219 PolarHBondContact O-OG1 2.83Å; K215-T219 VanDerWaalsContact O-OG1 3.05Å; E216-T219 VanDerWaalsContact CA-OG1 3.3Å; E216-T219 WeakPolarHBondContact CA-OG1 3.5Å; E216-T219 PolarHBondContact O-N 3.43Å; E216-T219 PolarHBondContact O-OG1 3.29Å; T219-I222 PolarHBondContact O-N 3.4Å; T219-L223 WeakPolarHBondContact O-CB 3.36Å; T219-L223 PolarHBondContact O-N 2.78Å
220Q75.4Confident66.7Low120 Ų12094.1 Ų94.156%0.56149%0.493SS*.Hα-helixtrans-67.2-42.9174.4-76-179.3-1.200111.3E216 A217 K218 I222 L223 L224E216-Q220 WeakPolarHBondContact O-CB 3.4Å; E216-Q220 WeakPolarHBondContact O-CG 3.48Å; E216-Q220 PolarHBondContact O-N 2.98Å; A217-Q220 PolarHBondContact O-N 2.79Å; K218-Q220 VanDerWaalsContact C-N 3.35Å; K218-Q220 PolarHBondContact O-N 2.91Å; Q220-I222 VanDerWaalsContact C-N 3.33Å; Q220-I222 PolarHBondContact O-N 2.79Å; Q220-L223 WeakPolarHBondContact O-CB 3.4Å; Q220-L223 PolarHBondContact O-N 3.34Å; Q220-L223 VanDerWaalsContact O-N 3.13Å; Q220-L224 WeakPolarHBondContact O-CB 3.45Å; Q220-L224 WeakPolarHBondContact O-CD1 3.36Å; Q220-L224 PolarHBondContact O-N 2.81Å
221A64.8Low65.8Low36 Ų3691.3 Ų91.330%0.29848%0.484SS..Hα-helixtrans-59.4-43.9175.300000111.6A217 K218 L223 L224 E225 A233A217-A221 VanDerWaalsContact O-CB 3.31Å; A217-A221 WeakPolarHBondContact O-CB 3.35Å; A217-A221 PolarHBondContact O-N 2.98Å; K218-A221 PolarHBondContact O-N 2.84Å; A221-L223 VanDerWaalsContact C-N 3.35Å; A221-L223 PolarHBondContact O-N 3.47Å; A221-L224 PolarHBondContact O-N 3.27Å; A221-E225 PolarHBondContact O-N 3.49Å; A221-A233 HydrophobicContact CB-CB 4.36Å
222I68.1Low64.9Low87 Ų8792.5 Ų92.545%0.44649%0.491SS..Hα-helixtrans-63.9-39174.5-66.3163.4000111.2K218 T219 Q220 E225 M226K218-I222 WeakPolarHBondContact O-CD1 3.29Å; K218-I222 VanDerWaalsContact O-CG1 3.22Å; K218-I222 WeakPolarHBondContact O-CG1 3.31Å; K218-I222 PolarHBondContact O-N 2.85Å; T219-I222 PolarHBondContact O-N 3.4Å; Q220-I222 VanDerWaalsContact C-N 3.33Å; Q220-I222 PolarHBondContact O-N 2.79Å; I222-E225 WeakPolarHBondContact O-CB 3.46Å; I222-E225 PolarHBondContact O-N 3.25Å; I222-M226 HydrophobicContact CG2-CE 4.23Å; I222-M226 WeakPolarHBondContact O-CG 3.26Å; I222-M226 PolarHBondContact O-N 2.89Å
223L66.7Low64Low105 Ų10591.3 Ų91.355%0.5549%0.494SS..Hα-helixtrans-63.7-44.2176.1-16696.3000111.5T219 Q220 A221 E225 M226 V227T219-L223 WeakPolarHBondContact O-CB 3.36Å; T219-L223 PolarHBondContact O-N 2.78Å; Q220-L223 WeakPolarHBondContact O-CB 3.4Å; Q220-L223 PolarHBondContact O-N 3.34Å; Q220-L223 VanDerWaalsContact O-N 3.13Å; A221-L223 VanDerWaalsContact C-N 3.35Å; A221-L223 PolarHBondContact O-N 3.47Å; L223-E225 VanDerWaalsContact C-N 3.34Å; L223-M226 PolarHBondContact O-N 3.36Å; L223-V227 VanDerWaalsContact O-CG2 3.28Å; L223-V227 WeakPolarHBondContact O-CG2 3.2Å; L223-V227 PolarHBondContact O-N 2.94Å
224L63.2Low62.5Low73 Ų7393.8 Ų93.838%0.38251%0.508SS..Hα-helixtrans-65.1-35177.3-87.6143.3000112.4Q220 A221 V227 G228 D229 L230Q220-L224 WeakPolarHBondContact O-CB 3.45Å; Q220-L224 WeakPolarHBondContact O-CD1 3.36Å; Q220-L224 PolarHBondContact O-N 2.81Å; A221-L224 PolarHBondContact O-N 3.27Å; L224-V227 PolarHBondContact O-N 3.21Å; L224-G228 PolarHBondContact O-N 3.4Å; L224-D229 HydrophobicContact CD2-CB 4.25Å; L224-D229 PolarHBondContact O-N 3.21Å; L224-L230 HydrophobicContact CB-CD1 3.87Å; L224-L230 HydrophobicContact CD2-CD1 3.75Å; L224-L230 HydrophobicContact CG-CD1 4.3Å
225E62.1Low61.4Low90 Ų9092.7 Ų92.742%0.42151%0.507SS..Hα-helixtrans-62.2-48.1169.8-173.1-169.8153.100111.1A221 I222 L223 V227 G228A221-E225 PolarHBondContact O-N 3.49Å; I222-E225 WeakPolarHBondContact O-CB 3.46Å; I222-E225 PolarHBondContact O-N 3.25Å; L223-E225 VanDerWaalsContact C-N 3.34Å; E225-V227 VanDerWaalsContact C-N 3.3Å; E225-V227 PolarHBondContact O-N 3.18Å; E225-G228 PolarHBondContact O-N 2.84Å
226M52.1Low60.5Low147 Ų14793.7 Ų93.772%0.72451%0.512SS*.Hα-helixtrans-65.2-30.6179.3-72.1-164.1-70.500113.5I222 L223 G228I222-M226 HydrophobicContact CG2-CE 4.23Å; I222-M226 WeakPolarHBondContact O-CG 3.26Å; I222-M226 PolarHBondContact O-N 2.89Å; L223-M226 PolarHBondContact O-N 3.36Å; M226-G228 PolarHBondContact O-N 3Å
227V66.5Low59.6Low93 Ų9391.1 Ų91.156%0.56450%0.504SS*.Hα-helixtrans-74.5-16.4174.91740000111.7L223 L224 E225L223-V227 VanDerWaalsContact O-CG2 3.28Å; L223-V227 WeakPolarHBondContact O-CG2 3.2Å; L223-V227 PolarHBondContact O-N 2.94Å; L224-V227 PolarHBondContact O-N 3.21Å; E225-V227 VanDerWaalsContact C-N 3.3Å; E225-V227 PolarHBondContact O-N 3.18Å
228G51.2Low58.9Low50 Ų5090.9 Ų90.952%0.51550%0.498SS..THydrogen-bonded Turntrans79.715.7176.400000114.3L224 E225 M226L224-G228 PolarHBondContact O-N 3.4Å; E225-G228 PolarHBondContact O-N 2.84Å; M226-G228 PolarHBondContact O-N 3Å
229D49Very low58.4Low91 Ų9189.9 Ų89.949%0.48750%0.495SS..SBendtrans-81.3-22.7176.2-106.5-7.4000112.2L224 W324L224-D229 HydrophobicContact CD2-CB 4.25Å; L224-D229 PolarHBondContact O-N 3.21Å; D229-W324 WeakPolarHBondContact OD1-CZ2 3.5Å
230L47.4Very low58.5Low79 Ų7988.1 Ų88.141%0.41448%0.482SS..SBendtrans-124.7135.7173.6-81.4108.3000111.7L224L224-L230 HydrophobicContact CB-CD1 3.87Å; L224-L230 HydrophobicContact CD2-CD1 3.75Å; L224-L230 HydrophobicContact CG-CD1 4.3Å
231P55.8Low58.7Low57 Ų5783.3 Ų83.337%0.3746%0.461SS..SBendtrans-76.4-27.2-177.128.1-32.9000114.6
232D48.9Very low59.6Low95 Ų9581.6 Ų81.651%0.50845%0.447SS..  trans-162137.3174.6-93-44000110.2E234 V235D232-E234 PolarHBondContact O-N 3.3Å; D232-E234 VanDerWaalsContact O-N 3.15Å; D232-V235 HydrophobicContact CB-CG2 3.79Å; D232-V235 PolarHBondContact O-N 3.45Å
233A50Low60.4Low61 Ų6180.3 Ų80.350%0.50444%0.438SS..THydrogen-bonded Turntrans-66.9-11.8-176.600000115A221A221-A233 HydrophobicContact CB-CB 4.36Å
234E45.5Very low61.3Low183 Ų18375.3 Ų75.386%0.85541%0.412SS*.THydrogen-bonded Turntrans-104.1-3.6-176.9-62.8-166.5162.100114.3D232 K236D232-E234 PolarHBondContact O-N 3.3Å; D232-E234 VanDerWaalsContact O-N 3.15Å; E234-K236 PolarHBondContact O-N 3.06Å
235V53.2Low62.2Low74 Ų7472.9 Ų72.945%0.44840%0.401SS..  trans-79.695-178.7-177.90000109.4D232D232-V235 HydrophobicContact CB-CG2 3.79Å; D232-V235 PolarHBondContact O-N 3.45Å
236K54.2Low63.2Low163 Ų16375.1 Ų75.171%0.70941%0.409SS*.PPolyproline II helixtrans-61.9137.1170.4-70.5-174.5175.9-171.40110.2E234E234-K236 PolarHBondContact O-N 3.06Å
237P56.9Low64.8Low50 Ų5068.1 Ų68.133%0.32538%0.375SS..PPolyproline II helixtrans-60.9149.2172.426.5-32.6000109.9E239P237-E239 PolarHBondContact O-N 2.94Å; P237-E239 VanDerWaalsContact O-N 3.15Å
238P60.3Low65.6Low51 Ų5165.2 Ų65.233%0.33136%0.356SS..PPolyproline II helixtrans-63.4117.5-17925.2-32.8000110.7N240 V241P238-N240 PolarHBondContact O-N 3.09Å; P238-N240 VanDerWaalsContact O-N 3.12Å; P238-V241 HydrophobicContact CG-CG2 4.24Å; P238-V241 PolarHBondContact O-N 3.47Å
239E62.6Low67.1Low94 Ų9465.6 Ų65.644%0.43935%0.349SS..THydrogen-bonded Turntrans-69.8-7-177.8-64.7174.9172.700112.7P237 V241 E291 C294P237-E239 PolarHBondContact O-N 2.94Å; P237-E239 VanDerWaalsContact O-N 3.15Å; E239-V241 VanDerWaalsContact C-N 3.34Å; E239-V241 PolarHBondContact O-N 2.73Å; E239-E291 HydrophobicContact CB-CG 4.3Å; E239-C294 PolarHBondContact O-SG 3.39Å
240N73.8Confident68.8Low51 Ų5166.6 Ų66.627%0.27336%0.358SS..THydrogen-bonded Turntrans-86.43.2-179.8-63.7-15.9000114.6P238 F288 E291P238-N240 PolarHBondContact O-N 3.09Å; P238-N240 VanDerWaalsContact O-N 3.12Å; N240-F288 PolarHBondContact O-N 3.37Å; N240-E291 VanDerWaalsContact OD1-CA 3.24Å; N240-E291 WeakPolarHBondContact OD1-CA 3.48Å; N240-E291 WeakPolarHBondContact OD1-CB 3.18Å; N240-E291 PolarHBondContact OD1-N 3.3Å
241V81.2Confident70.5Confident19 Ų1963 Ų6312%0.11534%0.34CS..EExtended strand (participates in β ladder)trans-115.8121.7-177.9-174.70000110.4P238 E239 F285 I286 E287 S316P238-V241 HydrophobicContact CG-CG2 4.24Å; P238-V241 PolarHBondContact O-N 3.47Å; E239-V241 VanDerWaalsContact C-N 3.34Å; E239-V241 PolarHBondContact O-N 2.73Å; V241-F285 HydrophobicContact CG1-CB 4.41Å; V241-F285 HydrophobicContact CG1-CD1 4.25Å; V241-I286 CarbonylContact C-O 3.55Å; V241-I286 WeakPolarHBondContact CA-O 3.16Å; V241-E287 HydrophobicContact CG2-CB 4.26Å; V241-E287 HydrophobicContact CG2-CG 4.08Å; V241-S316 VanDerWaalsContact O-CB 3.25Å; V241-S316 WeakPolarHBondContact O-CB 3.25Å; V241-S316 PolarHBondContact O-N 3.5Å
242L83.1Confident72Confident0 Ų062.6 Ų62.60%034%0.336CS..EExtended strand (participates in β ladder)trans-93.9140.6171.2-63.2-178.8000110.9F260 F285 I286 F288 C294 A297 F298 V313 D314 F315L242-F260 HydrophobicContact CD1-CE1 4.37Å; L242-F285 WeakPolarHBondContact O-CA 3.28Å; L242-I286 PolarHBondContact N-O 3.02Å; L242-I286 PolarHBondContact O-N 3.44Å; L242-F288 HydrophobicContact CD1-CD2 4.38Å; L242-F288 HydrophobicContact CD1-CE2 3.76Å; L242-F288 HydrophobicContact CG-CE2 4.29Å; L242-C294 WeakPolarHBondContact CD2-SG 3.15Å; L242-C294 WeakPolarHBondContact CG-SG 3.2Å; L242-A297 HydrophobicContact CD1-CB 3.79Å; L242-F298 HydrophobicContact CD2-CB 4.13Å; L242-V313 HydrophobicContact CB-CG1 4.16Å; L242-V313 HydrophobicContact CD1-CG1 3.86Å; L242-V313 HydrophobicContact CD2-CG1 4.3Å; L242-V313 HydrophobicContact CG-CG1 4.33Å; L242-D314 CarbonylContact C-O 3.58Å; L242-D314 WeakPolarHBondContact CA-O 3.47Å; L242-F315 HydrophobicContact CD2-CD1 3.97Å; L242-F315 HydrophobicContact CD2-CE1 4.09Å; L242-F315 HydrophobicContact CD2-CG 4.47Å
243F84.9Confident73.6Confident60 Ų6061.5 Ų61.526%0.26333%0.33SS..EExtended strand (participates in β ladder)trans-99122.2166.8173.7-108.2000108.8C245 Y283 F285 V313 D314F243-C245 HydrophobicContact CD1-CB 4.35Å; F243-C245 HydrophobicContact CE1-CB 3.5Å; F243-C245 HydrophobicContact CZ-CB 3.64Å; F243-Y283 AromaticContact CE2-CD2 3.8Å; F243-Y283 HydrophobicContact CE2-CD2 3.8Å; F243-Y283 AromaticContact CE2-CG 3.97Å; F243-Y283 HydrophobicContact CE2-CG 3.97Å; F243-Y283 HydrophobicContact CZ-CG 4.43Å; F243-F285 HydrophobicContact CB-CE1 4.35Å; F243-F285 HydrophobicContact CD2-CD1 4.24Å; F243-F285 AromaticContact CD2-CE1 3.65Å; F243-F285 HydrophobicContact CD2-CE1 3.65Å; F243-F285 AromaticContact CD2-CZ 3.87Å; F243-F285 HydrophobicContact CD2-CZ 3.87Å; F243-F285 HydrophobicContact CE2-CE1 4.48Å; F243-F285 HydrophobicContact CE2-CZ 4.26Å; F243-F285 HydrophobicContact CG-CE1 4.45Å; F243-V313 CarbonylContact O-C 3.54Å; F243-V313 WeakPolarHBondContact O-CA 3.33Å; F243-D314 HydrophobicContact CD1-CB 4.45Å; F243-D314 PolarHBondContact N-O 2.85Å; F243-D314 PolarHBondContact O-N 2.65Å
244V84.6Confident75.3Confident0 Ų064.9 Ų64.90%034%0.336CS..EExtended strand (participates in β ladder)trans-112.8125.3175.9-174.10000108.3L247 F260 Y283 A284 I286 I311 H312 V313V244-L247 HydrophobicContact CB-CD1 4.49Å; V244-L247 HydrophobicContact CG1-CD1 4.2Å; V244-L247 HydrophobicContact CG1-CD2 3.97Å; V244-L247 HydrophobicContact CG1-CG 4.08Å; V244-F260 HydrophobicContact CG2-CE1 4.44Å; V244-F260 HydrophobicContact CG2-CE2 4.3Å; V244-F260 HydrophobicContact CG2-CZ 3.8Å; V244-Y283 CarbonylContact O-C 3.55Å; V244-Y283 WeakPolarHBondContact O-CA 3.42Å; V244-Y283 WeakPolarHBondContact O-CB 3.36Å; V244-A284 PolarHBondContact N-O 3.39Å; V244-A284 PolarHBondContact O-N 3.31Å; V244-I286 HydrophobicContact CG2-CD1 3.77Å; V244-I286 HydrophobicContact CG2-CG1 4.31Å; V244-I311 HydrophobicContact CG1-CB 4.18Å; V244-I311 HydrophobicContact CG1-CD1 4.01Å; V244-H312 CarbonylContact C-O 3.44Å; V244-H312 WeakPolarHBondContact CA-O 3.23Å; V244-V313 HydrophobicContact CG1-CG2 4.32Å; V244-V313 HydrophobicContact CG2-CG1 4.31Å; V244-V313 HydrophobicContact CG2-CG2 4.19Å
245C83.2Confident77.3Confident22 Ų2259.1 Ų59.115%0.14931%0.311CS..EExtended strand (participates in β ladder)trans-128.2172.4178.970.10000112.7F243 L247 H312F243-C245 HydrophobicContact CD1-CB 4.35Å; F243-C245 HydrophobicContact CE1-CB 3.5Å; F243-C245 HydrophobicContact CZ-CB 3.64Å; C245-L247 PolarHBondContact O-N 3.06Å; C245-H312 PolarHBondContact N-O 2.75Å; C245-H312 PolarHBondContact O-N 2.79Å
246K83.3Confident78.8Confident137 Ų13755.6 Ų55.660%0.59629%0.29SS*.SBendtrans63.529.8-173.7-56.7176179.21690113.2C282 H312K246-C282 PolarHBondContact N-O 3.49Å; K246-C282 VanDerWaalsContact N-O 3.12Å; K246-H312 HydrophobicContact CD-CB 4.41Å
247L85.4Confident80.3Confident1 Ų152.6 Ų52.61%0.00528%0.278CS..  trans-65.8161.7174.6-70.1165.3000111.3V244 C245 L256 C282 A284 R309 I311V244-L247 HydrophobicContact CB-CD1 4.49Å; V244-L247 HydrophobicContact CG1-CD1 4.2Å; V244-L247 HydrophobicContact CG1-CD2 3.97Å; V244-L247 HydrophobicContact CG1-CG 4.08Å; C245-L247 PolarHBondContact O-N 3.06Å; L247-L256 HydrophobicContact CD1-CD1 3.75Å; L247-L256 HydrophobicContact CD2-CD1 4.14Å; L247-L256 HydrophobicContact CD2-CD2 3.78Å; L247-C282 PolarHBondContact N-O 3.12Å; L247-C282 WeakPolarHBondContact O-CB 3.48Å; L247-A284 HydrophobicContact CD1-CB 3.67Å; L247-R309 PolarHBondContact O-NH1 2.79Å; L247-R309 VanDerWaalsContact O-NH1 3.1Å; L247-I311 HydrophobicContact CD2-CG2 3.59Å; L247-I311 HydrophobicContact CG-CG2 4.4Å
248N83.6Confident81.6Confident31 Ų3155.9 Ų55.917%0.16629%0.292CS..  trans-78.5138.4171.3-166.4-29.7000108.7V250 T251 D307N248-V250 PolarHBondContact O-N 3.49Å; N248-V250 PolarHBondContact OD1-N 3.16Å; N248-T251 HydrophobicContact CB-CG2 4.26Å; N248-T251 PolarHBondContact N-OG1 3.29Å; N248-T251 PolarHBondContact O-N 2.95Å; N248-T251 PolarHBondContact O-OG1 3.21Å; N248-D307 HydrophobicContact CB-CB 4.09Å; N248-D307 PolarHBondContact ND2-O 2.81Å
249P82.7Confident82.9Confident59 Ų5955.9 Ų55.938%0.38329%0.288SS..THydrogen-bonded Turntrans-52-27.8172.8-28.528.5000113.8S280P249-S280 PolarHBondContact O-OG 3.06Å
250V84.2Confident83.9Confident111 Ų11151.4 Ų51.467%0.67327%0.268SS*.THydrogen-bonded Turntrans-81.3-22.9-178.3-172.90000113.1N248 T252N248-V250 PolarHBondContact O-N 3.49Å; N248-V250 PolarHBondContact OD1-N 3.16Å; V250-T252 PolarHBondContact O-N 3.09Å
251T83.8Confident84.6Confident3 Ų352.1 Ų52.12%0.01828%0.276CS..  trans-62.1132.3-179.832.20000111.1N248 I271 I306 D307N248-T251 HydrophobicContact CB-CG2 4.26Å; N248-T251 PolarHBondContact N-OG1 3.29Å; N248-T251 PolarHBondContact O-N 2.95Å; N248-T251 PolarHBondContact O-OG1 3.21Å; T251-I271 WeakPolarHBondContact O-CD1 3.28Å; T251-I306 HydrophobicContact CG2-CG2 3.7Å; T251-D307 HydrophobicContact CG2-CB 4.43Å; T251-D307 WeakPolarHBondContact CG2-OD2 3.31Å
252T86.2Confident84.8Confident49 Ų4961 Ų6130%0.30131%0.308SS..  trans-96.5163176.369.20000111.8V250 E254 D255 L256V250-T252 PolarHBondContact O-N 3.09Å; T252-E254 VanDerWaalsContact C-N 3.29Å; T252-D255 WeakPolarHBondContact CB-OD2 3.46Å; T252-D255 PolarHBondContact N-OD2 3.45Å; T252-D255 PolarHBondContact O-N 2.55Å; T252-D255 PolarHBondContact OG1-N 2.62Å; T252-D255 PolarHBondContact OG1-OD2 2.88Å; T252-L256 PolarHBondContact O-N 3.3Å
253D84.1Confident84.8Confident72 Ų7262.4 Ų62.439%0.38531%0.314SS..Hα-helixtrans-62.4-36.7175.745.2-54.5000111.9D255 L256 E257 I271D253-D255 PolarHBondContact O-N 3.21Å; D253-L256 PolarHBondContact O-N 3.34Å; D253-E257 PolarHBondContact O-N 3.43Å; D253-I271 HydrophobicContact CB-CD1 4.32Å; D253-I271 HydrophobicContact CB-CG1 4.23Å
254E85.8Confident84.8Confident133 Ų13360.1 Ų60.162%0.62131%0.307SS*.Hα-helixtrans-61.2-42174-61.8-177.2-177.400111.7T252 L256 E257 I258T252-E254 VanDerWaalsContact C-N 3.29Å; E254-L256 VanDerWaalsContact C-N 3.34Å; E254-L256 PolarHBondContact O-N 3.33Å; E254-E257 PolarHBondContact O-N 2.72Å; E254-I258 VanDerWaalsContact O-CG1 3.29Å; E254-I258 WeakPolarHBondContact O-CG1 3.26Å; E254-I258 PolarHBondContact O-N 3.46Å
255D86.3Confident84.6Confident62 Ų6266 Ų6633%0.33234%0.338SS..Hα-helixtrans-63.2-41.8178.9-60.3-48.5000111.4T252 D253 I258 I259T252-D255 WeakPolarHBondContact CB-OD2 3.46Å; T252-D255 PolarHBondContact N-OD2 3.45Å; T252-D255 PolarHBondContact O-N 2.55Å; T252-D255 PolarHBondContact OG1-N 2.62Å; T252-D255 PolarHBondContact OG1-OD2 2.88Å; D253-D255 PolarHBondContact O-N 3.21Å; D255-I258 PolarHBondContact O-N 3.39Å; D255-I259 WeakPolarHBondContact O-CB 3.36Å; D255-I259 WeakPolarHBondContact O-CD1 3.41Å; D255-I259 WeakPolarHBondContact O-CG1 3.4Å; D255-I259 PolarHBondContact O-N 2.93Å
256L84.9Confident84.7Confident0 Ų066.4 Ų66.40%034%0.338CS..Hα-helixtrans-69-37.9176.6-68.2-179.9000111.8L247 T252 D253 E254 I258 I259 F260 I271 A284 I306L247-L256 HydrophobicContact CD1-CD1 3.75Å; L247-L256 HydrophobicContact CD2-CD1 4.14Å; L247-L256 HydrophobicContact CD2-CD2 3.78Å; T252-L256 PolarHBondContact O-N 3.3Å; D253-L256 PolarHBondContact O-N 3.34Å; E254-L256 VanDerWaalsContact C-N 3.34Å; E254-L256 PolarHBondContact O-N 3.33Å; L256-I258 VanDerWaalsContact C-N 3.34Å; L256-I258 PolarHBondContact O-N 2.96Å; L256-I259 PolarHBondContact O-N 2.74Å; L256-F260 HydrophobicContact CD2-CE2 4.2Å; L256-F260 WeakPolarHBondContact O-CB 3.35Å; L256-F260 VanDerWaalsContact O-CD2 3.32Å; L256-F260 WeakPolarHBondContact O-CD2 3.43Å; L256-F260 PolarHBondContact O-N 3.05Å; L256-I271 HydrophobicContact CD1-CD1 3.73Å; L256-I271 HydrophobicContact CD1-CG1 3.84Å; L256-I271 HydrophobicContact CG-CD1 4.49Å; L256-A284 HydrophobicContact CD1-CB 3.75Å; L256-I306 HydrophobicContact CD2-CD1 4.33Å
257E85.2Confident84.6Confident100 Ų10064.3 Ų64.347%0.46733%0.329SS..Hα-helixtrans-62-43.2175.1-166.5178.7-179.500111.2D253 E254 I259 F260 S261 I266D253-E257 PolarHBondContact O-N 3.43Å; E254-E257 PolarHBondContact O-N 2.72Å; E257-I259 PolarHBondContact O-N 2.94Å; E257-F260 PolarHBondContact O-N 3Å; E257-S261 WeakPolarHBondContact O-CA 3.41Å; E257-S261 WeakPolarHBondContact O-CB 3.41Å; E257-S261 PolarHBondContact O-N 3.28Å; E257-S261 PolarHBondContact O-OG 2.91Å; E257-I266 HydrophobicContact CG-CD1 4.06Å
258I85.4Confident84.1Confident118 Ų11867.3 Ų67.361%0.60535%0.349SS*.Hα-helixtrans-62.5-43.2176.5-67.3164.3000111.1E254 D255 L256 S261E254-I258 VanDerWaalsContact O-CG1 3.29Å; E254-I258 WeakPolarHBondContact O-CG1 3.26Å; E254-I258 PolarHBondContact O-N 3.46Å; D255-I258 PolarHBondContact O-N 3.39Å; L256-I258 VanDerWaalsContact C-N 3.34Å; L256-I258 PolarHBondContact O-N 2.96Å; I258-S261 PolarHBondContact O-OG 3.49Å
259I86Confident84Confident52 Ų5267.1 Ų67.127%0.26735%0.35SS..Hα-helixtrans-68.4-43.7-177.9-70.6169.5000111.3D255 L256 E257 M301 I306D255-I259 WeakPolarHBondContact O-CB 3.36Å; D255-I259 WeakPolarHBondContact O-CD1 3.41Å; D255-I259 WeakPolarHBondContact O-CG1 3.4Å; D255-I259 PolarHBondContact O-N 2.93Å; L256-I259 PolarHBondContact O-N 2.74Å; E257-I259 PolarHBondContact O-N 2.94Å; I259-M301 HydrophobicContact CG2-CE 3.12Å; I259-M301 HydrophobicContact CG2-SD 4.14Å; I259-I306 HydrophobicContact CD1-CD1 3.77Å; I259-I306 HydrophobicContact CD1-CG1 4.24Å; I259-I306 HydrophobicContact CD1-CG2 4.08Å; I259-I306 HydrophobicContact CG2-CD1 4.39Å
260F85.3Confident84Confident0 Ų070.2 Ų70.20%036%0.36CS..Hα-helixtrans-86.5-21.9-174.9-78.8-93.2000113.6L242 V244 L256 E257 R262 F263 I266 I286 F288 A297 M301 I311 V313L242-F260 HydrophobicContact CD1-CE1 4.37Å; V244-F260 HydrophobicContact CG2-CE1 4.44Å; V244-F260 HydrophobicContact CG2-CE2 4.3Å; V244-F260 HydrophobicContact CG2-CZ 3.8Å; L256-F260 HydrophobicContact CD2-CE2 4.2Å; L256-F260 WeakPolarHBondContact O-CB 3.35Å; L256-F260 VanDerWaalsContact O-CD2 3.32Å; L256-F260 WeakPolarHBondContact O-CD2 3.43Å; L256-F260 PolarHBondContact O-N 3.05Å; E257-F260 PolarHBondContact O-N 3Å; F260-R262 PolarHBondContact O-N 2.91Å; F260-R262 VanDerWaalsContact O-N 3.09Å; F260-F263 PolarHBondContact O-N 2.86Å; F260-I266 HydrophobicContact CB-CD1 3.65Å; F260-I286 HydrophobicContact CB-CD1 4.18Å; F260-I286 HydrophobicContact CD1-CD1 3.82Å; F260-I286 HydrophobicContact CD2-CD1 3.41Å; F260-I286 VanDerWaalsContact CD2-CD1 3.41Å; F260-I286 HydrophobicContact CE1-CD1 3.98Å; F260-I286 HydrophobicContact CE2-CD1 3.6Å; F260-I286 HydrophobicContact CG-CD1 3.53Å; F260-I286 HydrophobicContact CZ-CD1 3.88Å; F260-F288 HydrophobicContact CB-CZ 4.09Å; F260-F288 HydrophobicContact CD1-CE2 4.41Å; F260-F288 HydrophobicContact CD1-CZ 4.02Å; F260-A297 HydrophobicContact CD1-CB 4.1Å; F260-A297 HydrophobicContact CE1-CB 4.34Å; F260-M301 HydrophobicContact CD1-CG 4.3Å; F260-M301 HydrophobicContact CE1-CB 3.84Å; F260-M301 HydrophobicContact CE1-CG 3.81Å; F260-M301 HydrophobicContact CE2-CE 4.26Å; F260-M301 HydrophobicContact CZ-CB 3.88Å; F260-M301 HydrophobicContact CZ-CE 4.28Å; F260-M301 HydrophobicContact CZ-CG 4.08Å; F260-I311 HydrophobicContact CE2-CD1 4.48Å; F260-I311 HydrophobicContact CZ-CD1 4.27Å; F260-V313 HydrophobicContact CZ-CG2 4.13Å
261S86.9Confident84Confident65 Ų6565.6 Ų65.646%0.45533%0.331SS..THydrogen-bonded Turntrans-61.3-18.9175.461.70000113.4E257 I258 F263 G264E257-S261 WeakPolarHBondContact O-CA 3.41Å; E257-S261 WeakPolarHBondContact O-CB 3.41Å; E257-S261 PolarHBondContact O-N 3.28Å; E257-S261 PolarHBondContact O-OG 2.91Å; I258-S261 PolarHBondContact O-OG 3.49Å; S261-F263 PolarHBondContact O-N 3.37Å; S261-G264 WeakPolarHBondContact CA-O 3.4Å
262R85.1Confident83.9Confident205 Ų20567.4 Ų67.477%0.77434%0.34SS*.THydrogen-bonded Turntrans-63.8-25.4174.7-173.7172.3-176.3169.33.2113.3F260F260-R262 PolarHBondContact O-N 2.91Å; F260-R262 VanDerWaalsContact O-N 3.09Å
263F84.5Confident83.8Confident31 Ų3170.2 Ų70.214%0.13635%0.345CS..THydrogen-bonded Turntrans-96.7-30-175.1-57.9-74.3000112.8F260 S261 D293 A297 K300 M301F260-F263 PolarHBondContact O-N 2.86Å; S261-F263 PolarHBondContact O-N 3.37Å; F263-D293 WeakPolarHBondContact O-CB 3.34Å; F263-A297 HydrophobicContact CB-CB 3.95Å; F263-A297 HydrophobicContact CD2-CB 4.05Å; F263-A297 HydrophobicContact CG-CB 3.99Å; F263-K300 HydrophobicContact CE1-CB 3.91Å; F263-K300 HydrophobicContact CE1-CD 3.73Å; F263-K300 HydrophobicContact CE1-CG 3.84Å; F263-K300 HydrophobicContact CZ-CB 4.19Å; F263-K300 HydrophobicContact CZ-CD 4.36Å; F263-K300 HydrophobicContact CZ-CG 4.04Å; F263-M301 HydrophobicContact CD2-CG 4.18Å; F263-M301 HydrophobicContact CE2-CG 3.4Å; F263-M301 HydrophobicContact CE2-SD 3.43Å; F263-M301 WeakPolarHBondContact CE2-SD 3.36Å; F263-M301 HydrophobicContact CZ-CG 3.79Å; F263-M301 HydrophobicContact CZ-SD 3.62Å
264G84.1Confident83.6Confident11 Ų1169.4 Ų69.411%0.11334%0.341CS..SBendtrans-177.4177.5178.800000112.4S261 I266S261-G264 WeakPolarHBondContact CA-O 3.4Å; G264-I266 PolarHBondContact O-N 2.85Å
265L81.7Confident82.9Confident124 Ų12473.7 Ų73.765%0.64935%0.351SS*.  trans-75.3122.2174.9-62.9176.6000109.7E289L265-E289 PolarHBondContact O-N 3.2Å
266I83.4Confident82.6Confident30 Ų3079 Ų7915%0.15437%0.372CS..EExtended strand (participates in β ladder)trans-89.7128.6179-58.2167.2000108E257 F260 G264 C268 C269 I286 E287 F288E257-I266 HydrophobicContact CG-CD1 4.06Å; F260-I266 HydrophobicContact CB-CD1 3.65Å; G264-I266 PolarHBondContact O-N 2.85Å; I266-C268 WeakPolarHBondContact CG2-O 3.27Å; I266-C269 HydrophobicContact CG2-CB 4.22Å; I266-I286 HydrophobicContact CD1-CG2 4.34Å; I266-I286 HydrophobicContact CG1-CG2 4.26Å; I266-I286 HydrophobicContact CG2-CG2 3.88Å; I266-E287 CarbonylContact C-O 3.58Å; I266-F288 HydrophobicContact CG1-CD1 4.27Å; I266-F288 HydrophobicContact CG1-CE1 3.83Å; I266-F288 HydrophobicContact CG1-CZ 4.25Å
267K81.6Confident82.2Confident94 Ų9482 Ų8241%0.40939%0.392SS..EExtended strand (participates in β ladder)trans-80.6-44.8172.4-75.6-174.5171.7-178.70111.5E287 E289K267-E287 HydrophobicContact CB-CB 4.46Å; K267-E287 HydrophobicContact CB-CG 4.2Å; K267-E287 PolarHBondContact N-O 2.9Å; K267-E289 HydrophobicContact CG-CB 4.21Å
268C76.4Confident81.5Confident64 Ų6479.3 Ų79.343%0.43239%0.392SS..EExtended strand (participates in β ladder)trans-147.3133.9-179-63.80000110.2I266 I286 E287I266-C268 WeakPolarHBondContact CG2-O 3.27Å; C268-I286 CarbonylContact O-C 3.54Å; C268-I286 WeakPolarHBondContact O-CA 3.46Å; C268-E287 HydrophobicContact CB-CB 4.16Å; C268-E287 PolarHBondContact N-O 2.89Å; C268-E287 PolarHBondContact O-N 3.49Å
269C80.9Confident81Confident27 Ų2780.3 Ų80.318%0.18239%0.394CS..EExtended strand (participates in β ladder)trans-124120.1167.8-176.30000106.9I266 F285I266-C269 HydrophobicContact CG2-CB 4.22Å; C269-F285 WeakPolarHBondContact CA-O 3.27Å
270E81.7Confident80.8Confident124 Ų12478.5 Ų78.558%0.57939%0.386SS*.EExtended strand (participates in β ladder)trans-133.6119.4-179.1-169.5177.5179.100110.7I272 A284 F285E270-I272 HydrophobicContact CG-CD1 4.16Å; E270-A284 CarbonylContact O-C 3.59Å; E270-A284 VanDerWaalsContact O-CA 3.23Å; E270-A284 WeakPolarHBondContact O-CA 3.48Å; E270-F285 PolarHBondContact N-O 2.81Å; E270-F285 PolarHBondContact O-N 3.21Å
271I84.6Confident80.5Confident14 Ų1482.4 Ų82.47%0.07241%0.406CS..EExtended strand (participates in β ladder)trans-87.2125.5169.5-58.5-176.1000108.3T251 D253 L256 R273 A284T251-I271 WeakPolarHBondContact O-CD1 3.28Å; D253-I271 HydrophobicContact CB-CD1 4.32Å; D253-I271 HydrophobicContact CB-CG1 4.23Å; L256-I271 HydrophobicContact CD1-CD1 3.73Å; L256-I271 HydrophobicContact CD1-CG1 3.84Å; L256-I271 HydrophobicContact CG-CD1 4.49Å; I271-R273 PolarHBondContact O-N 3.03Å; I271-A284 HydrophobicContact CB-CB 4.47Å; I271-A284 HydrophobicContact CG1-CB 3.9Å
272I82.8Confident80.1Confident41 Ų4180.7 Ų80.721%0.2139%0.394CS..EExtended strand (participates in β ladder)trans-81.7125.4178.9-53.3-58.8000109.3E270 L281 Y283 F285E270-I272 HydrophobicContact CG-CD1 4.16Å; I272-L281 HydrophobicContact CG2-CD1 4.01Å; I272-L281 WeakPolarHBondContact O-CB 3.02Å; I272-L281 PolarHBondContact O-N 3.3Å; I272-Y283 HydrophobicContact CB-CD2 4Å; I272-Y283 HydrophobicContact CB-CE2 3.41Å; I272-Y283 VanDerWaalsContact CB-CE2 3.41Å; I272-Y283 HydrophobicContact CG1-CD2 3.96Å; I272-Y283 HydrophobicContact CG1-CE2 3.44Å; I272-Y283 VanDerWaalsContact CG1-CE2 3.44Å; I272-Y283 HydrophobicContact CG2-CE2 3.89Å; I272-Y283 WeakPolarHBondContact CG2-OH 3.29Å; I272-Y283 PolarHBondContact N-O 2.98Å; I272-Y283 VanDerWaalsContact N-O 3.09Å; I272-F285 HydrophobicContact CD1-CD2 4.25Å; I272-F285 HydrophobicContact CG1-CD2 3.94Å; I272-F285 HydrophobicContact CG1-CE2 3.96Å
273R83.4Confident80.1Confident107 Ų10774.4 Ų74.440%0.40437%0.371SS..EExtended strand (participates in β ladder)trans-113.9148.9179.9-60.3176.5-176.8-88.5-2.5109.4I271 W275 E279 S280I271-R273 PolarHBondContact O-N 3.03Å; R273-W275 PolarHBondContact O-N 2.76Å; R273-E279 CarbonylContact C-O 3.5Å; R273-E279 VanDerWaalsContact CA-O 3.31Å; R273-E279 WeakPolarHBondContact CA-O 3.49Å; R273-S280 PolarHBondContact NH1-OG 3.43Å
274D80.1Confident80.2Confident55 Ų5572.9 Ų72.929%0.29436%0.364SS..  trans-63130.2172178.122.6000109.2K276 S277 G278 E279 L281D274-K276 PolarHBondContact O-N 2.75Å; D274-K276 PolarHBondContact OD1-N 2.68Å; D274-S277 WeakPolarHBondContact CB-OG 3.31Å; D274-S277 PolarHBondContact OD2-N 3.39Å; D274-S277 PolarHBondContact OD2-OG 2.67Å; D274-S277 VanDerWaalsContact OD2-OG 3.08Å; D274-G278 VanDerWaalsContact O-CA 3.24Å; D274-G278 WeakPolarHBondContact O-CA 3.46Å; D274-G278 PolarHBondContact O-N 3.17Å; D274-E279 PolarHBondContact N-O 3.06Å; D274-L281 HydrophobicContact CB-CD2 4.31Å; D274-L281 HydrophobicContact CB-CG 4.33Å
275W70.9Confident80.3Confident223 Ų22374.5 Ų74.585%0.84537%0.368SS*.THydrogen-bonded Turntrans-67.6-22.7-176.9112.5-80.9000112.4R273R273-W275 PolarHBondContact O-N 2.76Å
276K79.3Confident80.5Confident175 Ų17568.6 Ų68.676%0.76134%0.337SS*.THydrogen-bonded Turntrans-90.7-47.4-179.2-62.3-174.6-176.6171.80112.9D274D274-K276 PolarHBondContact O-N 2.75Å; D274-K276 PolarHBondContact OD1-N 2.68Å
277S76.9Confident80.6Confident62 Ų6269.3 Ų69.343%0.43434%0.34SS..THydrogen-bonded Turntrans-94.7-16.8-175.968.30000113.7D274 E279D274-S277 WeakPolarHBondContact CB-OG 3.31Å; D274-S277 PolarHBondContact OD2-N 3.39Å; D274-S277 PolarHBondContact OD2-OG 2.67Å; D274-S277 VanDerWaalsContact OD2-OG 3.08Å; S277-E279 PolarHBondContact O-N 3.39Å; S277-E279 WeakPolarHBondContact OG-CB 3.43Å; S277-E279 WeakPolarHBondContact OG-CG 3.21Å; S277-E279 PolarHBondContact OG-N 3.19Å
278G70.8Confident80.8Confident44 Ų4464.9 Ų64.945%0.45432%0.32SS..  trans68.52.9-171.500000113.6D274D274-G278 VanDerWaalsContact O-CA 3.24Å; D274-G278 WeakPolarHBondContact O-CA 3.46Å; D274-G278 PolarHBondContact O-N 3.17Å
279E74.9Confident81.1Confident139 Ų13966.7 Ų66.765%0.6532%0.323SS*.  trans-73.3139.2179.3-66.1-177.9160.300110.4R273 D274 S277 L281R273-E279 CarbonylContact C-O 3.5Å; R273-E279 VanDerWaalsContact CA-O 3.31Å; R273-E279 WeakPolarHBondContact CA-O 3.49Å; D274-E279 PolarHBondContact N-O 3.06Å; S277-E279 PolarHBondContact O-N 3.39Å; S277-E279 WeakPolarHBondContact OG-CB 3.43Å; S277-E279 WeakPolarHBondContact OG-CG 3.21Å; S277-E279 PolarHBondContact OG-N 3.19Å; E279-L281 PolarHBondContact O-N 3.23Å
280S80.8Confident81.2Confident13 Ų1371.2 Ų71.29%0.09134%0.339CS..EExtended strand (participates in β ladder)trans-63125177.2-490000110P249 R273 C282P249-S280 PolarHBondContact O-OG 3.06Å; R273-S280 PolarHBondContact NH1-OG 3.43Å; S280-C282 PolarHBondContact O-N 2.87Å; S280-C282 PolarHBondContact O-SG 3.14Å
281L78.6Confident81.2Confident82 Ų8269.5 Ų69.543%0.42933%0.331SS..EExtended strand (participates in β ladder)trans-74.510.1174.9-70.3164.4000112.6I272 D274 E279 Y283I272-L281 HydrophobicContact CG2-CD1 4.01Å; I272-L281 WeakPolarHBondContact O-CB 3.02Å; I272-L281 PolarHBondContact O-N 3.3Å; D274-L281 HydrophobicContact CB-CD2 4.31Å; D274-L281 HydrophobicContact CB-CG 4.33Å; E279-L281 PolarHBondContact O-N 3.23Å; L281-Y283 HydrophobicContact CB-CD1 3.83Å; L281-Y283 HydrophobicContact CB-CE1 3.36Å; L281-Y283 HydrophobicContact CD1-CE1 4.2Å; L281-Y283 HydrophobicContact CG-CE1 4.36Å; L281-Y283 WeakPolarHBondContact O-CD1 3.43Å; L281-Y283 PolarHBondContact O-N 2.88Å
282C80.4Confident81.1Confident30 Ų3075 Ų7520%0.20336%0.357CS..EExtended strand (participates in β ladder)trans63.725.5174.3-57.20000114.1K246 L247 S280K246-C282 PolarHBondContact N-O 3.49Å; K246-C282 VanDerWaalsContact N-O 3.12Å; L247-C282 PolarHBondContact N-O 3.12Å; L247-C282 WeakPolarHBondContact O-CB 3.48Å; S280-C282 PolarHBondContact O-N 2.87Å; S280-C282 PolarHBondContact O-SG 3.14Å
283Y85.3Confident81.2Confident72 Ų7274.2 Ų74.228%0.28235%0.353SS..EExtended strand (participates in β ladder)trans-139.9154.7169.165.1-93000112.3F243 V244 I272 L281 F285F243-Y283 AromaticContact CE2-CD2 3.8Å; F243-Y283 HydrophobicContact CE2-CD2 3.8Å; F243-Y283 AromaticContact CE2-CG 3.97Å; F243-Y283 HydrophobicContact CE2-CG 3.97Å; F243-Y283 HydrophobicContact CZ-CG 4.43Å; V244-Y283 CarbonylContact O-C 3.55Å; V244-Y283 WeakPolarHBondContact O-CA 3.42Å; V244-Y283 WeakPolarHBondContact O-CB 3.36Å; I272-Y283 HydrophobicContact CB-CD2 4Å; I272-Y283 HydrophobicContact CB-CE2 3.41Å; I272-Y283 VanDerWaalsContact CB-CE2 3.41Å; I272-Y283 HydrophobicContact CG1-CD2 3.96Å; I272-Y283 HydrophobicContact CG1-CE2 3.44Å; I272-Y283 VanDerWaalsContact CG1-CE2 3.44Å; I272-Y283 HydrophobicContact CG2-CE2 3.89Å; I272-Y283 WeakPolarHBondContact CG2-OH 3.29Å; I272-Y283 PolarHBondContact N-O 2.98Å; I272-Y283 VanDerWaalsContact N-O 3.09Å; L281-Y283 HydrophobicContact CB-CD1 3.83Å; L281-Y283 HydrophobicContact CB-CE1 3.36Å; L281-Y283 HydrophobicContact CD1-CE1 4.2Å; L281-Y283 HydrophobicContact CG-CE1 4.36Å; L281-Y283 WeakPolarHBondContact O-CD1 3.43Å; L281-Y283 PolarHBondContact O-N 2.88Å; Y283-F285 HydrophobicContact CD2-CE2 4.08Å; Y283-F285 AromaticContact CE2-CE2 3.97Å; Y283-F285 HydrophobicContact CE2-CE2 3.97Å
284A84.8Confident81.2Confident0 Ų069.1 Ų69.10%033%0.333CS..EExtended strand (participates in β ladder)trans-141.1155.2-17600000111.5V244 L247 L256 E270 I271V244-A284 PolarHBondContact N-O 3.39Å; V244-A284 PolarHBondContact O-N 3.31Å; L247-A284 HydrophobicContact CD1-CB 3.67Å; L256-A284 HydrophobicContact CD1-CB 3.75Å; E270-A284 CarbonylContact O-C 3.59Å; E270-A284 VanDerWaalsContact O-CA 3.23Å; E270-A284 WeakPolarHBondContact O-CA 3.48Å; I271-A284 HydrophobicContact CB-CB 4.47Å; I271-A284 HydrophobicContact CG1-CB 3.9Å
285F87.4Confident81.3Confident44 Ų4470.9 Ų70.919%0.19334%0.34CS..EExtended strand (participates in β ladder)trans-114.9130171.2-67-80.6000109.8V241 L242 F243 C269 E270 I272 Y283 S318V241-F285 HydrophobicContact CG1-CB 4.41Å; V241-F285 HydrophobicContact CG1-CD1 4.25Å; L242-F285 WeakPolarHBondContact O-CA 3.28Å; F243-F285 HydrophobicContact CB-CE1 4.35Å; F243-F285 HydrophobicContact CD2-CD1 4.24Å; F243-F285 AromaticContact CD2-CE1 3.65Å; F243-F285 HydrophobicContact CD2-CE1 3.65Å; F243-F285 AromaticContact CD2-CZ 3.87Å; F243-F285 HydrophobicContact CD2-CZ 3.87Å; F243-F285 HydrophobicContact CE2-CE1 4.48Å; F243-F285 HydrophobicContact CE2-CZ 4.26Å; F243-F285 HydrophobicContact CG-CE1 4.45Å; C269-F285 WeakPolarHBondContact CA-O 3.27Å; E270-F285 PolarHBondContact N-O 2.81Å; E270-F285 PolarHBondContact O-N 3.21Å; I272-F285 HydrophobicContact CD1-CD2 4.25Å; I272-F285 HydrophobicContact CG1-CD2 3.94Å; I272-F285 HydrophobicContact CG1-CE2 3.96Å; Y283-F285 HydrophobicContact CD2-CE2 4.08Å; Y283-F285 AromaticContact CE2-CE2 3.97Å; Y283-F285 HydrophobicContact CE2-CE2 3.97Å; F285-S318 WeakPolarHBondContact CE1-OG 3.39Å
286I85.3Confident81.9Confident0 Ų065.2 Ų65.20%032%0.321CS..EExtended strand (participates in β ladder)trans-122.6118.2-179.3-52.9179.9000108.5V241 L242 V244 F260 I266 C268 F288V241-I286 CarbonylContact C-O 3.55Å; V241-I286 WeakPolarHBondContact CA-O 3.16Å; L242-I286 PolarHBondContact N-O 3.02Å; L242-I286 PolarHBondContact O-N 3.44Å; V244-I286 HydrophobicContact CG2-CD1 3.77Å; V244-I286 HydrophobicContact CG2-CG1 4.31Å; F260-I286 HydrophobicContact CB-CD1 4.18Å; F260-I286 HydrophobicContact CD1-CD1 3.82Å; F260-I286 HydrophobicContact CD2-CD1 3.41Å; F260-I286 VanDerWaalsContact CD2-CD1 3.41Å; F260-I286 HydrophobicContact CE1-CD1 3.98Å; F260-I286 HydrophobicContact CE2-CD1 3.6Å; F260-I286 HydrophobicContact CG-CD1 3.53Å; F260-I286 HydrophobicContact CZ-CD1 3.88Å; I266-I286 HydrophobicContact CD1-CG2 4.34Å; I266-I286 HydrophobicContact CG1-CG2 4.26Å; I266-I286 HydrophobicContact CG2-CG2 3.88Å; C268-I286 CarbonylContact O-C 3.54Å; C268-I286 WeakPolarHBondContact O-CA 3.46Å; I286-F288 HydrophobicContact CB-CE2 4.39Å; I286-F288 HydrophobicContact CG2-CD2 4.15Å; I286-F288 HydrophobicContact CG2-CE2 3.6Å; I286-F288 HydrophobicContact CG2-CZ 4Å
287E85.5Confident82.2Confident45 Ų4556.9 Ų56.921%0.2129%0.285CS..EExtended strand (participates in β ladder)trans-102.1119.2178.5-174.6174.3170.800109.8V241 I266 K267 C268 K321V241-E287 HydrophobicContact CG2-CB 4.26Å; V241-E287 HydrophobicContact CG2-CG 4.08Å; I266-E287 CarbonylContact C-O 3.58Å; K267-E287 HydrophobicContact CB-CB 4.46Å; K267-E287 HydrophobicContact CB-CG 4.2Å; K267-E287 PolarHBondContact N-O 2.9Å; C268-E287 HydrophobicContact CB-CB 4.16Å; C268-E287 PolarHBondContact N-O 2.89Å; C268-E287 PolarHBondContact O-N 3.49Å; E287-K321 IonicContact OE2-NZ 2.88Å; E287-K321 PolarHBondContact OE2-NZ 3.22Å
288F85.4Confident82.6Confident1 Ų156 Ų560%0.00427%0.273CS..EExtended strand (participates in β ladder)trans-93.1153.1176-76.1-86.4000111.8N240 L242 F260 I266 I286 K290 D293 C294 A297N240-F288 PolarHBondContact O-N 3.37Å; L242-F288 HydrophobicContact CD1-CD2 4.38Å; L242-F288 HydrophobicContact CD1-CE2 3.76Å; L242-F288 HydrophobicContact CG-CE2 4.29Å; F260-F288 HydrophobicContact CB-CZ 4.09Å; F260-F288 HydrophobicContact CD1-CE2 4.41Å; F260-F288 HydrophobicContact CD1-CZ 4.02Å; I266-F288 HydrophobicContact CG1-CD1 4.27Å; I266-F288 HydrophobicContact CG1-CE1 3.83Å; I266-F288 HydrophobicContact CG1-CZ 4.25Å; I286-F288 HydrophobicContact CB-CE2 4.39Å; I286-F288 HydrophobicContact CG2-CD2 4.15Å; I286-F288 HydrophobicContact CG2-CE2 3.6Å; I286-F288 HydrophobicContact CG2-CZ 4Å; F288-K290 VanDerWaalsContact C-N 3.34Å; F288-D293 HydrophobicContact CD1-CB 4.35Å; F288-C294 HydrophobicContact CB-CB 4.33Å; F288-C294 HydrophobicContact CD2-CB 4.16Å; F288-C294 HydrophobicContact CG-CB 4.43Å; F288-A297 HydrophobicContact CE2-CB 4.15Å; F288-A297 HydrophobicContact CZ-CB 3.91Å
289E82.7Confident83.2Confident102 Ų10261.6 Ų61.648%0.47729%0.286SS..SBendtrans-71.9-30.8171.8-174.5172.5-163.600112.4L265 K267L265-E289 PolarHBondContact O-N 3.2Å; K267-E289 HydrophobicContact CG-CB 4.21Å
290K84.3Confident83.6Confident122 Ų12261.4 Ų61.453%0.5328%0.283SS..  trans-124.6137.9-177.9-64.4-177.9-178177.20111.9F288 D293 C294F288-K290 VanDerWaalsContact C-N 3.34Å; K290-D293 HydrophobicContact CB-CB 4.41Å; K290-D293 PolarHBondContact O-N 3.5Å; K290-C294 PolarHBondContact O-N 2.95Å
291E80.4Confident83.8Confident89 Ų8961.4 Ų61.442%0.41628%0.282SS..Hα-helixtrans-62.9-41.7176.1-161.5-175.8137.500112E239 N240 D293 C294 E295E239-E291 HydrophobicContact CB-CG 4.3Å; N240-E291 VanDerWaalsContact OD1-CA 3.24Å; N240-E291 WeakPolarHBondContact OD1-CA 3.48Å; N240-E291 WeakPolarHBondContact OD1-CB 3.18Å; N240-E291 PolarHBondContact OD1-N 3.3Å; E291-D293 PolarHBondContact O-N 3.24Å; E291-D293 VanDerWaalsContact O-N 3.13Å; E291-C294 WeakPolarHBondContact O-CA 3.32Å; E291-C294 WeakPolarHBondContact O-CB 3.36Å; E291-C294 PolarHBondContact O-N 2.96Å; E291-E295 PolarHBondContact O-N 2.98Å
292E82.9Confident84.1Confident130 Ų13060 Ų6061%0.60727%0.274SS*.Hα-helixtrans-59.7-29.6178.9-62.4-176.7-177.900113.3K296E292-K296 WeakPolarHBondContact O-CD 3.09Å; E292-K296 WeakPolarHBondContact O-CE 3.29Å; E292-K296 VanDerWaalsContact O-CG 3.23Å; E292-K296 WeakPolarHBondContact O-CG 3.05Å; E292-K296 PolarHBondContact O-N 2.95Å
293D85.3Confident84.2Confident23 Ų2362.6 Ų62.612%0.12329%0.286CS..Hα-helixtrans-84.4-29.7-179.6-63.7-21.8000110.9F263 F288 K290 E291 K296 A297F263-D293 WeakPolarHBondContact O-CB 3.34Å; F288-D293 HydrophobicContact CD1-CB 4.35Å; K290-D293 HydrophobicContact CB-CB 4.41Å; K290-D293 PolarHBondContact O-N 3.5Å; E291-D293 PolarHBondContact O-N 3.24Å; E291-D293 VanDerWaalsContact O-N 3.13Å; D293-K296 IonicContact OD1-NZ 2.81Å; D293-K296 PolarHBondContact OD1-NZ 3.34Å; D293-A297 WeakPolarHBondContact O-CB 3.45Å; D293-A297 PolarHBondContact O-N 2.85Å
294C82.4Confident84.2Confident0 Ų061.6 Ų61.60%029%0.287CS..Hα-helixtrans-60.5-49.6170.5-167.80000111.1E239 L242 F288 K290 E291 K296 A297 F298E239-C294 PolarHBondContact O-SG 3.39Å; L242-C294 WeakPolarHBondContact CD2-SG 3.15Å; L242-C294 WeakPolarHBondContact CG-SG 3.2Å; F288-C294 HydrophobicContact CB-CB 4.33Å; F288-C294 HydrophobicContact CD2-CB 4.16Å; F288-C294 HydrophobicContact CG-CB 4.43Å; K290-C294 PolarHBondContact O-N 2.95Å; E291-C294 WeakPolarHBondContact O-CA 3.32Å; E291-C294 WeakPolarHBondContact O-CB 3.36Å; E291-C294 PolarHBondContact O-N 2.96Å; C294-K296 PolarHBondContact O-N 3.34Å; C294-A297 PolarHBondContact O-N 2.96Å; C294-F298 PolarHBondContact O-N 3.43Å
295E82.2Confident84.2Confident93 Ų9366.7 Ų66.744%0.43531%0.314SS..Hα-helixtrans-62.1-44.3177.9-65.4-172.5150.600112.3E291 A297 F298 F299 F315E291-E295 PolarHBondContact O-N 2.98Å; E295-A297 VanDerWaalsContact C-N 3.29Å; E295-A297 PolarHBondContact O-N 3.45Å; E295-F298 PolarHBondContact O-N 2.8Å; E295-F299 VanDerWaalsContact O-CD2 3.26Å; E295-F299 WeakPolarHBondContact O-CD2 3.44Å; E295-F299 PolarHBondContact O-N 2.88Å; E295-F315 HydrophobicContact CG-CZ 4.21Å
296K84.2Confident84Confident103 Ų10365.3 Ų65.345%0.44831%0.308SS..Hα-helixtrans-62-39.4177.6-71.3168.4-151.7149.80111.6E292 D293 C294 K300E292-K296 WeakPolarHBondContact O-CD 3.09Å; E292-K296 WeakPolarHBondContact O-CE 3.29Å; E292-K296 VanDerWaalsContact O-CG 3.23Å; E292-K296 WeakPolarHBondContact O-CG 3.05Å; E292-K296 PolarHBondContact O-N 2.95Å; D293-K296 IonicContact OD1-NZ 2.81Å; D293-K296 PolarHBondContact OD1-NZ 3.34Å; C294-K296 PolarHBondContact O-N 3.34Å; K296-K300 VanDerWaalsContact O-CB 3.24Å; K296-K300 WeakPolarHBondContact O-CB 3.27Å; K296-K300 PolarHBondContact O-N 3.2Å
297A85.7Confident83.7Confident0 Ų069.1 Ų69.10%033%0.329CS..Hα-helixtrans-66.3-45.8176.400000110.9L242 F260 F263 F288 D293 C294 E295 F299 K300 M301L242-A297 HydrophobicContact CD1-CB 3.79Å; F260-A297 HydrophobicContact CD1-CB 4.1Å; F260-A297 HydrophobicContact CE1-CB 4.34Å; F263-A297 HydrophobicContact CB-CB 3.95Å; F263-A297 HydrophobicContact CD2-CB 4.05Å; F263-A297 HydrophobicContact CG-CB 3.99Å; F288-A297 HydrophobicContact CE2-CB 4.15Å; F288-A297 HydrophobicContact CZ-CB 3.91Å; D293-A297 WeakPolarHBondContact O-CB 3.45Å; D293-A297 PolarHBondContact O-N 2.85Å; C294-A297 PolarHBondContact O-N 2.96Å; E295-A297 VanDerWaalsContact C-N 3.29Å; E295-A297 PolarHBondContact O-N 3.45Å; A297-F299 PolarHBondContact O-N 2.92Å; A297-K300 PolarHBondContact O-N 2.67Å; A297-M301 WeakPolarHBondContact O-CB 3.47Å; A297-M301 WeakPolarHBondContact O-CG 3.49Å; A297-M301 PolarHBondContact O-N 3.13Å
298F85.1Confident83.4Confident43 Ų4374.7 Ų74.719%0.18936%0.36CS..Hα-helixtrans-54.9-54.5176.4170.9-100.2000112.2L242 C294 E295 K300 D302 V313 F315L242-F298 HydrophobicContact CD2-CB 4.13Å; C294-F298 PolarHBondContact O-N 3.43Å; E295-F298 PolarHBondContact O-N 2.8Å; F298-K300 PolarHBondContact O-N 3.06Å; F298-D302 WeakPolarHBondContact O-CB 3.19Å; F298-D302 PolarHBondContact O-N 2.95Å; F298-V313 HydrophobicContact CD2-CG1 4.23Å; F298-V313 WeakPolarHBondContact CD2-O 3.37Å; F298-V313 WeakPolarHBondContact CE2-O 3.38Å; F298-F315 HydrophobicContact CB-CE2 4.29Å; F298-F315 HydrophobicContact CB-CZ 4.21Å; F298-F315 AromaticContact CD1-CE2 3.82Å; F298-F315 HydrophobicContact CD1-CE2 3.82Å; F298-F315 HydrophobicContact CD1-CZ 4.38Å; F298-F315 HydrophobicContact CD2-CD2 4.26Å; F298-F315 HydrophobicContact CD2-CE2 4.1Å; F298-F315 HydrophobicContact CE1-CE2 4.15Å; F298-F315 HydrophobicContact CE2-CD2 4.37Å; F298-F315 HydrophobicContact CE2-CE2 4.4Å; F298-F315 HydrophobicContact CG-CD2 4.42Å; F298-F315 AromaticContact CG-CE2 3.79Å; F298-F315 HydrophobicContact CG-CE2 3.79Å; F298-F315 HydrophobicContact CG-CZ 4.22Å; F298-F315 HydrophobicContact CZ-CE2 4.43Å
299F83.6Confident83.2Confident163 Ų16379.9 Ų79.972%0.71538%0.38SS*.Hα-helixtrans-64.3-26.3-177-82.9-69000114.2E295 A297E295-F299 VanDerWaalsContact O-CD2 3.26Å; E295-F299 WeakPolarHBondContact O-CD2 3.44Å; E295-F299 PolarHBondContact O-N 2.88Å; A297-F299 PolarHBondContact O-N 2.92Å
300K84.4Confident83.3Confident135 Ų13582 Ų8259%0.58738%0.383SS*.Hα-helixtrans-105-21.7-170.4-165.6149.6163-169.90113.8F263 K296 A297 F298 V304F263-K300 HydrophobicContact CE1-CB 3.91Å; F263-K300 HydrophobicContact CE1-CD 3.73Å; F263-K300 HydrophobicContact CE1-CG 3.84Å; F263-K300 HydrophobicContact CZ-CB 4.19Å; F263-K300 HydrophobicContact CZ-CD 4.36Å; F263-K300 HydrophobicContact CZ-CG 4.04Å; K296-K300 VanDerWaalsContact O-CB 3.24Å; K296-K300 WeakPolarHBondContact O-CB 3.27Å; K296-K300 PolarHBondContact O-N 3.2Å; A297-K300 PolarHBondContact O-N 2.67Å; F298-K300 PolarHBondContact O-N 3.06Å; K300-V304 WeakPolarHBondContact O-CG2 3.47Å
301M83.1Confident83.5Confident13 Ų1376.2 Ų76.26%0.06436%0.358CS..Hα-helixtrans-102.2-12.3-179.1-65-58.3-59.100113.8I259 F260 F263 A297 N303 V304 I306 I311 V313I259-M301 HydrophobicContact CG2-CE 3.12Å; I259-M301 HydrophobicContact CG2-SD 4.14Å; F260-M301 HydrophobicContact CD1-CG 4.3Å; F260-M301 HydrophobicContact CE1-CB 3.84Å; F260-M301 HydrophobicContact CE1-CG 3.81Å; F260-M301 HydrophobicContact CE2-CE 4.26Å; F260-M301 HydrophobicContact CZ-CB 3.88Å; F260-M301 HydrophobicContact CZ-CE 4.28Å; F260-M301 HydrophobicContact CZ-CG 4.08Å; F263-M301 HydrophobicContact CD2-CG 4.18Å; F263-M301 HydrophobicContact CE2-CG 3.4Å; F263-M301 HydrophobicContact CE2-SD 3.43Å; F263-M301 WeakPolarHBondContact CE2-SD 3.36Å; F263-M301 HydrophobicContact CZ-CG 3.79Å; F263-M301 HydrophobicContact CZ-SD 3.62Å; A297-M301 WeakPolarHBondContact O-CB 3.47Å; A297-M301 WeakPolarHBondContact O-CG 3.49Å; A297-M301 PolarHBondContact O-N 3.13Å; M301-N303 PolarHBondContact O-N 3.02Å; M301-V304 HydrophobicContact CE-CB 4.29Å; M301-V304 HydrophobicContact CE-CG1 4.19Å; M301-V304 HydrophobicContact CE-CG2 4.45Å; M301-V304 WeakPolarHBondContact O-CB 3.48Å; M301-V304 WeakPolarHBondContact O-CG2 3.47Å; M301-V304 PolarHBondContact O-N 2.74Å; M301-V304 HydrophobicContact SD-CG2 4.37Å; M301-I306 HydrophobicContact CE-CD1 4.34Å; M301-I311 HydrophobicContact CE-CD1 4.21Å; M301-V313 HydrophobicContact CB-CG2 4Å
302D85.3Confident83.7Confident52 Ų5275.1 Ų75.128%0.27835%0.353SS..THydrogen-bonded Turntrans-61.8135.3172.1-174.348.4000111.4F298 V304 H312 V313F298-D302 WeakPolarHBondContact O-CB 3.19Å; F298-D302 PolarHBondContact O-N 2.95Å; D302-V304 PolarHBondContact O-N 3.43Å; D302-H312 IonicContact OD1-CE1 2.71Å; D302-H312 IonicContact OD1-CG 3.68Å; D302-H312 IonicContact OD1-ND1 3.17Å; D302-H312 PolarHBondContact OD1-ND1 2.91Å; D302-V313 PolarHBondContact OD1-N 3.05Å
303N82.4Confident83.8Confident85 Ų8568.9 Ų68.946%0.45532%0.324SS..THydrogen-bonded Turntrans60.818.4-179.1-73-63.5000116.3M301 R310 I311M301-N303 PolarHBondContact O-N 3.02Å; N303-R310 PolarHBondContact O-NH1 3.34Å; N303-R310 VanDerWaalsContact O-NH1 3.08Å; N303-I311 VanDerWaalsContact CA-O 3.23Å; N303-I311 WeakPolarHBondContact CA-O 3.36Å; N303-I311 PolarHBondContact N-O 3.4Å
304V85.5Confident83.7Confident50 Ų5070.5 Ų70.530%0.30333%0.333SS..  trans-74.5144174.3175.40000111K300 M301 D302 I306 R310 I311K300-V304 WeakPolarHBondContact O-CG2 3.47Å; M301-V304 HydrophobicContact CE-CB 4.29Å; M301-V304 HydrophobicContact CE-CG1 4.19Å; M301-V304 HydrophobicContact CE-CG2 4.45Å; M301-V304 WeakPolarHBondContact O-CB 3.48Å; M301-V304 WeakPolarHBondContact O-CG2 3.47Å; M301-V304 PolarHBondContact O-N 2.74Å; M301-V304 HydrophobicContact SD-CG2 4.37Å; D302-V304 PolarHBondContact O-N 3.43Å; V304-I306 HydrophobicContact CG1-CG1 4.4Å; V304-R310 WeakPolarHBondContact O-CA 3.48Å; V304-I311 HydrophobicContact CB-CG1 4.38Å; V304-I311 WeakPolarHBondContact O-CG1 3.27Å; V304-I311 PolarHBondContact O-N 3.44Å
305L85.1Confident83.6Confident108 Ų10873.6 Ų73.657%0.56535%0.346SS*.EExtended strand (participates in β ladder)trans-82.9117175.1-78.6158.7000110.1R309 R310L305-R309 CarbonylContact C-O 3.53Å; L305-R309 WeakPolarHBondContact CA-O 3.36Å; L305-R310 HydrophobicContact CD2-CG 3.63Å; L305-R310 HydrophobicContact CG-CG 3.97Å
306I83.4Confident83.1Confident14 Ų1469.5 Ų69.57%0.07233%0.328CS..EExtended strand (participates in β ladder)trans-124.3123.5171.4-56.1-179.1000106.9T251 L256 I259 M301 V304 D308 R309 I311T251-I306 HydrophobicContact CG2-CG2 3.7Å; L256-I306 HydrophobicContact CD2-CD1 4.33Å; I259-I306 HydrophobicContact CD1-CD1 3.77Å; I259-I306 HydrophobicContact CD1-CG1 4.24Å; I259-I306 HydrophobicContact CD1-CG2 4.08Å; I259-I306 HydrophobicContact CG2-CD1 4.39Å; M301-I306 HydrophobicContact CE-CD1 4.34Å; V304-I306 HydrophobicContact CG1-CG1 4.4Å; I306-D308 VanDerWaalsContact C-N 3.32Å; I306-D308 PolarHBondContact O-N 2.97Å; I306-R309 PolarHBondContact N-O 3.27Å; I306-R309 PolarHBondContact O-N 2.93Å; I306-I311 HydrophobicContact CB-CG2 4.17Å; I306-I311 HydrophobicContact CD1-CD1 3.52Å; I306-I311 HydrophobicContact CD1-CG1 3.98Å; I306-I311 HydrophobicContact CD1-CG2 3.95Å; I306-I311 HydrophobicContact CG1-CD1 4.37Å; I306-I311 HydrophobicContact CG1-CG1 4.34Å; I306-I311 HydrophobicContact CG1-CG2 4.21Å
307D78.4Confident81.8Confident80 Ų8072.4 Ų72.443%0.42834%0.343SS..THydrogen-bonded Turntrans46.252.2179.6-60.1-21.3000113.7N248 T251 R309N248-D307 HydrophobicContact CB-CB 4.09Å; N248-D307 PolarHBondContact ND2-O 2.81Å; T251-D307 HydrophobicContact CG2-CB 4.43Å; T251-D307 WeakPolarHBondContact CG2-OD2 3.31Å; D307-R309 PolarHBondContact O-N 3.36Å; D307-R309 VanDerWaalsContact O-N 3.13Å
308D79.7Confident80.1Confident162 Ų16274.2 Ų74.287%0.86636%0.356SS*.THydrogen-bonded Turntrans61.614-179.3-62.1-37.8000115.7I306I306-D308 VanDerWaalsContact C-N 3.32Å; I306-D308 PolarHBondContact O-N 2.97Å
309R82.1Confident78.4Confident110 Ų11075.1 Ų75.142%0.41537%0.365SS..EExtended strand (participates in β ladder)trans-120.7142.4171.6-69.1-170.2-176.7-172.9-1.1111.9L247 L305 I306 D307L247-R309 PolarHBondContact O-NH1 2.79Å; L247-R309 VanDerWaalsContact O-NH1 3.1Å; L305-R309 CarbonylContact C-O 3.53Å; L305-R309 WeakPolarHBondContact CA-O 3.36Å; I306-R309 PolarHBondContact N-O 3.27Å; I306-R309 PolarHBondContact O-N 2.93Å; D307-R309 PolarHBondContact O-N 3.36Å; D307-R309 VanDerWaalsContact O-N 3.13Å
310R84.9Confident76.6Confident147 Ų14771.5 Ų71.556%0.55536%0.359SS*.EExtended strand (participates in β ladder)trans-83.6117.9171.9-70.3178.8176.6-944109N303 V304 L305N303-R310 PolarHBondContact O-NH1 3.34Å; N303-R310 VanDerWaalsContact O-NH1 3.08Å; V304-R310 WeakPolarHBondContact O-CA 3.48Å; L305-R310 HydrophobicContact CD2-CG 3.63Å; L305-R310 HydrophobicContact CG-CG 3.97Å
311I87.5Confident74.8Confident1 Ų170.8 Ų70.81%0.00536%0.356CS..  trans-80.3152.7174.261.4154.4000110.4V244 L247 F260 M301 N303 V304 I306 V313V244-I311 HydrophobicContact CG1-CB 4.18Å; V244-I311 HydrophobicContact CG1-CD1 4.01Å; L247-I311 HydrophobicContact CD2-CG2 3.59Å; L247-I311 HydrophobicContact CG-CG2 4.4Å; F260-I311 HydrophobicContact CE2-CD1 4.48Å; F260-I311 HydrophobicContact CZ-CD1 4.27Å; M301-I311 HydrophobicContact CE-CD1 4.21Å; N303-I311 VanDerWaalsContact CA-O 3.23Å; N303-I311 WeakPolarHBondContact CA-O 3.36Å; N303-I311 PolarHBondContact N-O 3.4Å; V304-I311 HydrophobicContact CB-CG1 4.38Å; V304-I311 WeakPolarHBondContact O-CG1 3.27Å; V304-I311 PolarHBondContact O-N 3.44Å; I306-I311 HydrophobicContact CB-CG2 4.17Å; I306-I311 HydrophobicContact CD1-CD1 3.52Å; I306-I311 HydrophobicContact CD1-CG1 3.98Å; I306-I311 HydrophobicContact CD1-CG2 3.95Å; I306-I311 HydrophobicContact CG1-CD1 4.37Å; I306-I311 HydrophobicContact CG1-CG1 4.34Å; I306-I311 HydrophobicContact CG1-CG2 4.21Å; I311-V313 HydrophobicContact CD1-CG2 3.9Å
312H84.6Confident73.1Confident65 Ų6572.2 Ų72.230%0.30136%0.364SS..EExtended strand (participates in β ladder)trans-121129.5171.1177.155.4000108.7V244 C245 K246 D302V244-H312 CarbonylContact C-O 3.44Å; V244-H312 WeakPolarHBondContact CA-O 3.23Å; C245-H312 PolarHBondContact N-O 2.75Å; C245-H312 PolarHBondContact O-N 2.79Å; K246-H312 HydrophobicContact CD-CB 4.41Å; D302-H312 IonicContact OD1-CE1 2.71Å; D302-H312 IonicContact OD1-CG 3.68Å; D302-H312 IonicContact OD1-ND1 3.17Å; D302-H312 PolarHBondContact OD1-ND1 2.91Å
313V85.2Confident71Confident0 Ų078.5 Ų78.50%039%0.389CS..EExtended strand (participates in β ladder)trans-113.8132.6-176.8-174.40000107.8L242 F243 V244 F260 F298 M301 D302 I311L242-V313 HydrophobicContact CB-CG1 4.16Å; L242-V313 HydrophobicContact CD1-CG1 3.86Å; L242-V313 HydrophobicContact CD2-CG1 4.3Å; L242-V313 HydrophobicContact CG-CG1 4.33Å; F243-V313 CarbonylContact O-C 3.54Å; F243-V313 WeakPolarHBondContact O-CA 3.33Å; V244-V313 HydrophobicContact CG1-CG2 4.32Å; V244-V313 HydrophobicContact CG2-CG1 4.31Å; V244-V313 HydrophobicContact CG2-CG2 4.19Å; F260-V313 HydrophobicContact CZ-CG2 4.13Å; F298-V313 HydrophobicContact CD2-CG1 4.23Å; F298-V313 WeakPolarHBondContact CD2-O 3.37Å; F298-V313 WeakPolarHBondContact CE2-O 3.38Å; M301-V313 HydrophobicContact CB-CG2 4Å; D302-V313 PolarHBondContact OD1-N 3.05Å; I311-V313 HydrophobicContact CD1-CG2 3.9Å
314D82.6Confident69Low57 Ų5782.2 Ų82.231%0.30540%0.396SS..EExtended strand (participates in β ladder)trans-139.3162.4178-157-0.9000111L242 F243L242-D314 CarbonylContact C-O 3.58Å; L242-D314 WeakPolarHBondContact CA-O 3.47Å; F243-D314 HydrophobicContact CD1-CB 4.45Å; F243-D314 PolarHBondContact N-O 2.85Å; F243-D314 PolarHBondContact O-N 2.65Å
315F80.4Confident66.9Low65 Ų6584.9 Ų84.929%0.28540%0.404SS..EExtended strand (participates in β ladder)trans-73.4133.7171.9-72.4-82.8000109.9L242 E295 F298 Q317L242-F315 HydrophobicContact CD2-CD1 3.97Å; L242-F315 HydrophobicContact CD2-CE1 4.09Å; L242-F315 HydrophobicContact CD2-CG 4.47Å; E295-F315 HydrophobicContact CG-CZ 4.21Å; F298-F315 HydrophobicContact CB-CE2 4.29Å; F298-F315 HydrophobicContact CB-CZ 4.21Å; F298-F315 AromaticContact CD1-CE2 3.82Å; F298-F315 HydrophobicContact CD1-CE2 3.82Å; F298-F315 HydrophobicContact CD1-CZ 4.38Å; F298-F315 HydrophobicContact CD2-CD2 4.26Å; F298-F315 HydrophobicContact CD2-CE2 4.1Å; F298-F315 HydrophobicContact CE1-CE2 4.15Å; F298-F315 HydrophobicContact CE2-CD2 4.37Å; F298-F315 HydrophobicContact CE2-CE2 4.4Å; F298-F315 HydrophobicContact CG-CD2 4.42Å; F298-F315 AromaticContact CG-CE2 3.79Å; F298-F315 HydrophobicContact CG-CE2 3.79Å; F298-F315 HydrophobicContact CG-CZ 4.22Å; F298-F315 HydrophobicContact CZ-CE2 4.43Å; F315-Q317 PolarHBondContact O-N 2.95Å; F315-Q317 VanDerWaalsContact O-N 3.13Å
316S71.9Confident64.8Low7 Ų781.5 Ų81.55%0.04940%0.395CS..  trans-66.2116.8179.2174.90000110.4V241 S318V241-S316 VanDerWaalsContact O-CB 3.25Å; V241-S316 WeakPolarHBondContact O-CB 3.25Å; V241-S316 PolarHBondContact O-N 3.5Å; S316-S318 VanDerWaalsContact C-N 3.25Å; S316-S318 PolarHBondContact OG-N 2.86Å; S316-S318 PolarHBondContact OG-O 3.35Å; S316-S318 PolarHBondContact OG-OG 3.17Å
317Q56.5Low62.3Low163 Ų16390.9 Ų90.976%0.76244%0.435SS*.  trans-83.8-5.1168.3-59.1-178.713.400112.2F315F315-Q317 PolarHBondContact O-N 2.95Å; F315-Q317 VanDerWaalsContact O-N 3.13Å
318S51.3Low60.8Low39 Ų3990.7 Ų90.727%0.27345%0.452SS..  trans-89.3133-172.776.40000112.3F285 S316 S320F285-S318 WeakPolarHBondContact CE1-OG 3.39Å; S316-S318 VanDerWaalsContact C-N 3.25Å; S316-S318 PolarHBondContact OG-N 2.86Å; S316-S318 PolarHBondContact OG-O 3.35Å; S316-S318 PolarHBondContact OG-OG 3.17Å; S318-S320 PolarHBondContact O-N 3.43Å; S318-S320 PolarHBondContact OG-OG 3.47Å
319V49.4Very low58.8Low62 Ų6284.2 Ų84.238%0.37642%0.424SS..  trans-92.840.2170.6-141.20000110.1K321 I322V319-K321 PolarHBondContact O-N 2.96Å; V319-I322 HydrophobicContact CB-CD1 4.09Å; V319-I322 HydrophobicContact CB-CG1 4.43Å; V319-I322 HydrophobicContact CG1-CD1 3.32Å; V319-I322 HydrophobicContact CG1-CG1 3.8Å; V319-I322 PolarHBondContact O-N 3.38Å
320S44.6Very low56.8Low86 Ų8687.9 Ų87.960%0.60144%0.443SS*.THydrogen-bonded Turntrans-60.3-17.1-162.748.40000115.6S318S318-S320 PolarHBondContact O-N 3.43Å; S318-S320 PolarHBondContact OG-OG 3.47Å
321K47.2Very low55.1Low120 Ų12084.3 Ų84.352%0.52243%0.43SS..THydrogen-bonded Turntrans-84.1-7.4173.4-72.8178.8-179.4175.40114E287 V319 K323 Y339E287-K321 IonicContact OE2-NZ 2.88Å; E287-K321 PolarHBondContact OE2-NZ 3.22Å; V319-K321 PolarHBondContact O-N 2.96Å; K321-K323 PolarHBondContact O-N 2.68Å; K321-K323 VanDerWaalsContact O-N 3.13Å; K321-Y339 VanDerWaalsContact CB-OH 3.3Å; K321-Y339 WeakPolarHBondContact CB-OH 3.47Å
322I47.9Very low53Low43 Ų4387.8 Ų87.822%0.22145%0.451CS..SBendtrans-78.299.1170.2-62.6-179.3000108.2V319 W324 Y331 F336V319-I322 HydrophobicContact CB-CD1 4.09Å; V319-I322 HydrophobicContact CB-CG1 4.43Å; V319-I322 HydrophobicContact CG1-CD1 3.32Å; V319-I322 HydrophobicContact CG1-CG1 3.8Å; V319-I322 PolarHBondContact O-N 3.38Å; I322-W324 PolarHBondContact O-N 2.91Å; I322-Y331 HydrophobicContact CG2-CE1 3.84Å; I322-F336 HydrophobicContact CD1-CE1 4.37Å
323K39.8Very low50.9Low185 Ų18593.8 Ų93.880%0.80448%0.476SS*.  trans-57.6109.3170.5-91.3-178175.8175.30109.3K321 K325K321-K323 PolarHBondContact O-N 2.68Å; K321-K323 VanDerWaalsContact O-N 3.13Å; K323-K325 PolarHBondContact O-N 3.5Å; K323-K325 VanDerWaalsContact O-N 3.09Å
324W41.5Very low48.9Very low163 Ų16398.9 Ų98.962%0.61750%0.503SS*.  trans-50.3113.6170-113.971.7000110.3D229 I322 G326 Y331D229-W324 WeakPolarHBondContact OD1-CZ2 3.5Å; I322-W324 PolarHBondContact O-N 2.91Å; W324-G326 PolarHBondContact O-N 3.2Å; W324-Y331 WeakPolarHBondContact CA-OH 3.26Å
325K41.7Very low47.1Very low106 Ų10699.2 Ų99.246%0.46151%0.506SS..  trans-84.57.6177.2-76.5-175178.71720113.5K323 Y331 D335K323-K325 PolarHBondContact O-N 3.5Å; K323-K325 VanDerWaalsContact O-N 3.09Å; K325-Y331 HydrophobicContact CB-CE1 4.27Å; K325-Y331 HydrophobicContact CD-CD1 4.25Å; K325-Y331 HydrophobicContact CD-CE1 4.15Å; K325-Y331 HydrophobicContact CG-CE1 4.03Å; K325-Y331 PolarHBondContact N-OH 3.38Å; K325-Y331 VanDerWaalsContact N-OH 3.1Å; K325-D335 IonicContact NZ-OD1 2.7Å; K325-D335 PolarHBondContact NZ-OD1 3.22Å; K325-D335 IonicContact NZ-OD2 3.44Å; K325-D335 PolarHBondContact NZ-OD2 2.85Å
326G39.8Very low45.3Very low37 Ų3799.9 Ų99.938%0.38151%0.508SS..  trans77.7172.3-178.200000113.4W324 G328 G329W324-G326 PolarHBondContact O-N 3.2Å; G326-G328 PolarHBondContact O-N 3.32Å; G326-G328 VanDerWaalsContact O-N 3.09Å; G326-G329 PolarHBondContact O-N 3.06Å
327K31.6Very low43.9Very low211 Ų211105.2 Ų105.292%0.91753%0.531SS*.THydrogen-bonded Turntrans-61.1111.8-173.8-142.4173.8-172.5175.70110.5
328G45.9Very low43.3Very low76 Ų76101.2 Ų101.278%0.78453%0.525SS*.THydrogen-bonded Turntrans93.55.8-177.600000115.7G326 K330G326-G328 PolarHBondContact O-N 3.32Å; G326-G328 VanDerWaalsContact O-N 3.09Å; G328-K330 PolarHBondContact O-N 2.89Å
329G38.1Very low42.9Very low26 Ų26104.9 Ų104.927%0.26853%0.534SS..  trans-68.2109.2172.100000111.4G326 Y331G326-G329 PolarHBondContact O-N 3.06Å; G329-Y331 PolarHBondContact O-N 3.13Å
330K41.3Very low42.4Very low187 Ų187109.3 Ų109.381%0.81355%0.551SS**  trans-75.9120.5174.3-70.5-175.7177.6-177.80110G328G328-K330 PolarHBondContact O-N 2.89Å
331Y47.8Very low42.1Very low72 Ų72114.5 Ų114.528%0.28256%0.562SS.*  trans-78.6136.3169.5-59.9-84.9000109.2I322 W324 K325 G329I322-Y331 HydrophobicContact CG2-CE1 3.84Å; W324-Y331 WeakPolarHBondContact CA-OH 3.26Å; K325-Y331 HydrophobicContact CB-CE1 4.27Å; K325-Y331 HydrophobicContact CD-CD1 4.25Å; K325-Y331 HydrophobicContact CD-CE1 4.15Å; K325-Y331 HydrophobicContact CG-CE1 4.03Å; K325-Y331 PolarHBondContact N-OH 3.38Å; K325-Y331 VanDerWaalsContact N-OH 3.1Å; G329-Y331 PolarHBondContact O-N 3.13Å
332T42.9Very low41.6Very low74 Ų74115.1 Ų115.145%0.45457%0.571SS.*  trans-106.4159178.561.10000110.5D334 D335T332-D334 PolarHBondContact O-N 3.44Å; T332-D335 PolarHBondContact N-OD2 3Å; T332-D335 WeakPolarHBondContact O-CB 3.14Å; T332-D335 PolarHBondContact O-N 2.99Å; T332-D335 PolarHBondContact OG1-OD2 3.02Å
333K41.6Very low41Very low190 Ų190116.6 Ų116.683%0.82659%0.59SS**THydrogen-bonded Turntrans-57.5-21179.7-156169.1-174.9167.60113.5
334D42.7Very low40.5Very low107 Ų107111.1 Ų111.157%0.57259%0.586SS**THydrogen-bonded Turntrans-79.8-24.1174.6-69.5-54.1000113.4T332 F336 K337T332-D334 PolarHBondContact O-N 3.44Å; D334-F336 PolarHBondContact O-N 3.42Å; D334-K337 WeakPolarHBondContact O-CB 3.4Å; D334-K337 PolarHBondContact O-N 3.15Å; D334-K337 WeakPolarHBondContact OD1-CD 3.46Å; D334-K337 IonicContact OD1-NZ 3.99Å; D334-K337 PolarHBondContact OD1-NZ 3.03Å; D334-K337 VanDerWaalsContact OD1-NZ 3.17Å
335D45.5Very low39.8Very low65 Ų65108.5 Ų108.535%0.34859%0.592SS.*THydrogen-bonded Turntrans-65.3-28.6173.1-66.8-49.9000111.2K325 T332K325-D335 IonicContact NZ-OD1 2.7Å; K325-D335 PolarHBondContact NZ-OD1 3.22Å; K325-D335 IonicContact NZ-OD2 3.44Å; K325-D335 PolarHBondContact NZ-OD2 2.85Å; T332-D335 PolarHBondContact N-OD2 3Å; T332-D335 WeakPolarHBondContact O-CB 3.14Å; T332-D335 PolarHBondContact O-N 2.99Å; T332-D335 PolarHBondContact OG1-OD2 3.02Å
336F42.2Very low39.3Very low78 Ų78112.9 Ų112.934%0.34261%0.612SS.*SBendtrans-90-13.8178-66.3-86.4000113.9I322 D334 A338 Y339I322-F336 HydrophobicContact CD1-CE1 4.37Å; D334-F336 PolarHBondContact O-N 3.42Å; F336-A338 PolarHBondContact O-N 3.08Å; F336-Y339 WeakPolarHBondContact O-CB 3.25Å; F336-Y339 PolarHBondContact O-N 3.09Å; F336-Y339 VanDerWaalsContact O-N 3.11Å
337K43.2Very low38.6Very low120 Ų120119.4 Ų119.452%0.52264%0.637SS.*Hα-helixtrans-72.5-17.8-176.9-149.7-179.1-157.4166.70113.3D334 Y339D334-K337 WeakPolarHBondContact O-CB 3.4Å; D334-K337 PolarHBondContact O-N 3.15Å; D334-K337 WeakPolarHBondContact OD1-CD 3.46Å; D334-K337 IonicContact OD1-NZ 3.99Å; D334-K337 PolarHBondContact OD1-NZ 3.03Å; D334-K337 VanDerWaalsContact OD1-NZ 3.17Å; K337-Y339 PolarHBondContact O-N 2.82Å
338A44Very low38.6Very low78 Ų78113.3 Ų113.365%0.64563%0.626SS**Hα-helixtrans-64.7-23170.600000112.3F336F336-A338 PolarHBondContact O-N 3.08Å
339Y42.1Very low37.6Very low116 Ų116116.4 Ų116.446%0.45562%0.623SS.*Hα-helixtrans-87-37.4177.4-88.5-93.2000113.5K321 F336 K337 K341K321-Y339 VanDerWaalsContact CB-OH 3.3Å; K321-Y339 WeakPolarHBondContact CB-OH 3.47Å; F336-Y339 WeakPolarHBondContact O-CB 3.25Å; F336-Y339 PolarHBondContact O-N 3.09Å; F336-Y339 VanDerWaalsContact O-N 3.11Å; K337-Y339 PolarHBondContact O-N 2.82Å; Y339-K341 VanDerWaalsContact C-N 3.28Å; Y339-K341 PolarHBondContact O-N 3.25Å
340E38.1Very low37Very low156 Ų156123.8 Ų123.873%0.72965%0.648SS**Hα-helixtrans-69.5-22-179.7-84.6-169.2149.300113.8D342E340-D342 VanDerWaalsContact C-N 3.31Å; E340-D342 PolarHBondContact O-N 3.43Å
341K38.2Very low36.8Very low194 Ų194122.3 Ų122.384%0.84365%0.649SS**THydrogen-bonded Turntrans-74.5-19.5-174.4-155177.9179.8-174.50113.8Y339Y339-K341 VanDerWaalsContact C-N 3.28Å; Y339-K341 PolarHBondContact O-N 3.25Å
342D38.3Very low36.1Very low134 Ų134128.3 Ų128.372%0.71768%0.677SS**THydrogen-bonded Turntrans-105.2-6.9178.9-96.7-28.8000114.3E340E340-D342 VanDerWaalsContact C-N 3.31Å; E340-D342 PolarHBondContact O-N 3.43Å
343A35.7Very low35.2Very low74 Ų74131.2 Ų131.261%0.61269%0.694SS**SBendtrans-102.387.2176.500000110S345A343-S345 PolarHBondContact O-N 2.99Å; A343-S345 VanDerWaalsContact O-N 3.09Å
344G27.3Very low34.6Very low70 Ų70130.5 Ų130.572%0.72269%0.691SS**  trans-59110.617300000112.5
345S28.6Very low33.9Very low107 Ų107131.3 Ų131.375%0.74870%0.702SS**  trans47.2117.6147.764.10000120.7A343A343-S345 PolarHBondContact O-N 2.99Å; A343-S345 VanDerWaalsContact O-N 3.09Å
346K31.4Very low33Very low199 Ų199137.6 Ų137.687%0.86573%0.726SS**  trans44116.9142.2-77-178177177.40117.8
347L24Very low32.5Very low174 Ų174141.9 Ų141.991%0.91175%0.748SS**  -167.2138117.3-127.482000110.9
348A30.8Very low32Very low83 Ų83143.4 Ų143.469%0.68676%0.762SS**  trans-82.5136.216600000109.7
349L25.8Very low31.3Very low140 Ų140144.8 Ų144.873%0.73377%0.766SS**  171.4144.3122.5-12275.7000114
350K26.1Very low30.7Very low181 Ų181148 Ų14879%0.78778%0.782SS**  trans85107.9139.9-87.5177.7-175.5168.40120.7K352K350-K352 PolarHBondContact O-N 3.02Å
351D37Very low30.2Very low156 Ų156150.9 Ų150.983%0.83479%0.788SS**  trans-22117.3137.1-70.6-44.4000113.9
352K31.9Very low29.5Very low198 Ų198147.3 Ų147.386%0.86178%0.778SS**  176.3118.3129.5-96.6165.6-173.9-1690108.9K350K350-K352 PolarHBondContact O-N 3.02Å
353V25.8Very low29.1Very low136 Ų136148.8 Ų148.882%0.82479%0.785SS**  trans164.3107.7130.11630000106.3
354K27.3Very low28.6Very low175 Ų175152.4 Ų152.476%0.76179%0.794SS**PPolyproline II helixtrans-73.4125.5166.1-74.4-172.5173.7-169.90107.6
355P28.7Very low28.5Very low124 Ų124156.9 Ų156.981%0.80580%0.8SS**PPolyproline II helixtrans-75.5130.7160.428.6-25.4000108.7
356K27.6Very low28.4Very low196 Ų196160.6 Ų160.685%0.85281%0.806SS**PPolyproline II helixtrans-86.5150.8166.8-90.9-174.2172.6-177.30109.2
357Q31.9Very low28.3Very low169 Ų169159.8 Ų159.879%0.7981%0.805SS**  trans97.2103.4159.5-74.2-176.8-44.500118.6
358D32.6Very low28.4Very low152 Ų152160.9 Ų160.981%0.81381%0.806SS**  4693.7110-58.3-28.2000117.1
359S29.4Very low28.1Very low106 Ų106166.1 Ų166.174%0.74182%0.816SS**  trans-137.699.9141.943.50000109.6Y361S359-Y361 PolarHBondContact O-N 2.84Å
360K29.4Very low28.1Very low183 Ų183169.1 Ų169.180%0.79683%0.826SS**  trans-62.4111.2170.7-179.5-178.3-177.8-179.60109.2
361Y25.8Very low28.1Very low217 Ų217163.6 Ų163.685%0.85182%0.82SS**  trans-114108.6154.8-85.4-84.9000108S359S359-Y361 PolarHBondContact O-N 2.84Å
362D25.3Very low27.5Very low119 Ų119163.3 Ų163.364%0.63683%0.825SS**  trans-87.1112.1173.9-155.42.1000106.1L364D362-L364 PolarHBondContact O-N 2.65Å
363L28.2Very low27.1Very low165 Ų165158.1 Ų158.186%0.86481%0.813SS**  trans-82.893.3175.7-79.8169.4000108.3L365L363-L365 PolarHBondContact O-N 3.14Å
364L26.2Very low27.1Very low151 Ų151159.8 Ų159.879%0.79181%0.812SS**  trans-65.9110.8164.7-77.3161.3000108.9D362 E366D362-L364 PolarHBondContact O-N 2.65Å; L364-E366 PolarHBondContact O-N 3.43Å
365L25.9Very low26.9Very low164 Ų164161.5 Ų161.586%0.85981%0.814SS**  trans-78109.9160.1-88.5155000107.6L363 E367L363-L365 PolarHBondContact O-N 3.14Å; L365-E367 PolarHBondContact O-N 2.97Å
366E25Very low26.7Very low184 Ų184163.6 Ų163.686%0.8681%0.812SS**  trans-71.7109.3165.7-72.8179.2159.500108.4L364L364-E366 PolarHBondContact O-N 3.43Å
367E29.1Very low26.5Very low183 Ų183158.8 Ų158.886%0.85581%0.809SS**PPolyproline II helixtrans-86.9117.9160.4-74.7-174.8160.900107.9L365 E369L365-E367 PolarHBondContact O-N 2.97Å; E367-E369 PolarHBondContact O-N 2.94Å
368E25.9Very low26.3Very low197 Ų197159.4 Ų159.492%0.92181%0.812SS**PPolyproline II helixtrans-68119173.9-69.7-176.215500110.2
369E26.1Very low26Very low192 Ų192162.1 Ų162.190%0.89782%0.817SS**PPolyproline II helixtrans-77122.2170-71.5-174.3152.900111.1E367E367-E369 PolarHBondContact O-N 2.94Å
370E25.8Very low25.9Very low203 Ų203166.1 Ų166.195%0.94982%0.821SS**  trans-98.4108148.3-80.7-164159.900109
371G25.2Very low25.8Very low65 Ų65165.7 Ų165.767%0.6782%0.821SS**  trans-79.6151.6-178.400000114
372T24.7Very low25.8Very low150 Ų150163.4 Ų163.492%0.9282%0.816SS**  trans-145.1138.2139.842.90000111
373S24.1Very low25.9Very low90 Ų90165.9 Ų165.963%0.62983%0.829SS**  trans-76.3148.3-171500000115
374H25.8Very low25.9Very low171 Ų171166.9 Ų166.979%0.79283%0.826SS**  173109.1111.6-87.7-60.8000114.3
375R23Very low25.9Very low211 Ų211168.2 Ų168.280%0.79683%0.826SS**  trans35.7132.6132.2-79.8-176.1-178-176.61.1124.5
376H23.7Very low26Very low168 Ų168169.3 Ų169.378%0.77883%0.826SS**  trans73.5131145.5-65.5-54.8000116.5
377A24Very low26Very low95 Ų95167.2 Ų167.279%0.78582%0.821SS**  -179.9162.752.300000110.8
378E26.7Very low25.9Very low182 Ų182167 Ų16785%0.8582%0.819SS**  trans-51.3153176.2-59.7169.3112.300116.1
379K27.1Very low26Very low209 Ų209162.1 Ų162.191%0.90981%0.807SS**  -164.4121.3129.4-108.9164.9-173.1175.30113.4
380K26.7Very low26.1Very low190 Ų190159.6 Ų159.683%0.82680%0.799SS**  trans-64.9152.5161.1-73173.4172.5170.40111.4
381H27.7Very low26.2Very low174 Ų174157.9 Ų157.981%0.80680%0.797SS**  -174122.7128.9-102.3-79.9000107.2
382K25.9Very low26.4Very low169 Ų169163.1 Ų163.174%0.73580%0.804SS**  cis111.390.140.7-171.1-178.7-170179.70108.2
383D28.3Very low26.6Very low171 Ų171162.5 Ų162.591%0.91480%0.795SS**PPolyproline II helixtrans-73.1132.5165.9-80.7-43.4000111
384K27.5Very low26.9Very low185 Ų185163 Ų16380%0.80479%0.794SS**PPolyproline II helixtrans-92.8124.6179.7-81.7178.6175.21750110.1
385K26.6Very low27.1Very low180 Ų180164.8 Ų164.878%0.78379%0.794SS**PPolyproline II helixtrans-76149.9152.4-79.1-176.8172.9-177.10110.4
386H27.6Very low27.3Very low187 Ų187163.8 Ų163.887%0.86680%0.795SS**  trans-129.8141.3144-90-76.6000110
387N25.6Very low27.6Very low140 Ų140160.5 Ų160.575%0.74979%0.791SS**  trans-100.9174.4-169.4-87.3-15.3000112.4
388H26.9Very low27.8Very low179 Ų179167.1 Ų167.183%0.82980%0.796SS**  trans112.8137.2137.8-135.840.9000114.8
389S26.7Very low27.8Very low93 Ų93168.1 Ų168.165%0.6580%0.798SS**  cis-156.2163.515.259.80000112.8
390D28.6Very low27.9Very low139 Ų139163.2 Ų163.274%0.74379%0.79SS**  trans-66.9159.1171-60.6-62.4000114.3
391D27.7Very low27.9Very low168 Ų168163 Ų16390%0.89879%0.789SS**  -165.2150.7123.4-105.4-34.2000113.2
392E29.3Very low27.8Very low174 Ų174164.4 Ų164.481%0.81379%0.787SS**  trans-85.5-179-158.6-80.3-140.515000118.3
393D30Very low27.8Very low137 Ų137162.1 Ų162.173%0.73378%0.783SS**  trans106.9129.4157.2-73.7-28000115.9
394T29.6Very low27.8Very low100 Ų100158.2 Ų158.261%0.61377%0.769SS**  cis-166.6142.7821.90000111.4
395R29.4Very low27.8Very low209 Ų209158.5 Ų158.579%0.78977%0.773SS**  trans66.2117.3135.5-66.3173.6-178.4-179.63.3123.3
396K28.3Very low28Very low191 Ų191157.4 Ų157.483%0.8377%0.771SS**  61.7138123.6-68.1178.8178.9177.70118
397S29.6Very low28.4Very low99 Ų99154.6 Ų154.669%0.69277%0.769SS**  cis-175.2147.510.550.10000111.1
398R28.2Very low28.6Very low234 Ų234158.1 Ų158.188%0.88377%0.772SS**  trans61.9121.8139.1-73.9179166.7171-4.5121.9
399K27Very low28.8Very low203 Ų203161.9 Ų161.988%0.88378%0.779SS**  33.5134.5120.4-97.4173.5169.7173.90116.6
400S28.6Very low29Very low106 Ų106165.4 Ų165.474%0.74179%0.785SS**  cis-174.7135.43444.50000107.7
401K27.8Very low29.1Very low185 Ų185169.1 Ų169.180%0.80479%0.794SS**  47.2124.1100.5-128.6-175.9-176.6172.60117.3
402W25.1Very low29.3Very low203 Ų203169.4 Ų169.477%0.76979%0.788SS**  trans106.5109.5155.6-76.679.7000120.5
403N26Very low29.3Very low122 Ų122167 Ų16765%0.65279%0.785SS**  78124.4122.7-105.218000124
404S27Very low29.3Very low88 Ų88165.8 Ų165.862%0.61578%0.779SS**  74.8125.9125.4640000122
405E28.1Very low29.3Very low192 Ų192170.8 Ų170.890%0.89779%0.786SS**  trans93.3133.2139-76.1178.8166.400120.9
406E30.9Very low29.4Very low157 Ų157168.3 Ų168.373%0.73478%0.784SS**  trans-58171.8177.1-56.6-171.2130.700113.3
407P36.6Very low29.4Very low128 Ų128166.1 Ų166.183%0.83178%0.776SS**  -144.6154.194.832.4-14.3000116.4
408R30Very low29.5Very low214 Ų214165 Ų16581%0.80877%0.768SS**  trans-46.4150.9166.2-63.5172174.3176.2-4.2115.2
409R31.3Very low29.6Very low257 Ų257164.1 Ų164.197%0.9777%0.765SS**  trans-138.9119.9149-103.3-178.2177.7171.40.9111.6
410E30.5Very low29.8Very low167 Ų167158.5 Ų158.578%0.7875%0.751SS**  trans-78.2153.5166.8-64.2-179.314400111.7
411K30.6Very low29.9Very low217 Ų217163.8 Ų163.894%0.94376%0.755SS**  trans-160.1136.8133.4-112.3176.3-176.1-177.80111.9
412K30.3Very low30.1Very low175 Ų175162.7 Ų162.776%0.76175%0.752SS**  trans-95.1177.6-174.6-78.4178.9172.7173.20113.2
413T30.5Very low30.4Very low124 Ų124163.9 Ų163.976%0.76176%0.757SS**  trans98.2139.7153.173.40000114.9
414D29.7Very low30.8Very low111 Ų111164.8 Ų164.859%0.59476%0.762SS**  cis-172.5153.2-5.2-118-17.7000109.1
415R30.4Very low30.9Very low205 Ų205171.6 Ų171.677%0.77477%0.774SS**  trans62.6153143.6-67.8174.1-179.7131.6-0.6121.2
416Q31Very low31.2Very low157 Ų157169.9 Ų169.973%0.73477%0.766SS**  cis-177.5163.7-20.1-110.7-170.1-10.100108.1
417H28.9Very low31.2Very low144 Ų144171.7 Ų171.767%0.66777%0.774SS**  trans77.8140.7155.5-98.354.6000119.3
418S31.5Very low31Very low76 Ų76174 Ų17453%0.53177%0.77SS.*  cis175.7151.7-8.8490000111.5
419R29.6Very low31.1Very low216 Ų216171.9 Ų171.982%0.81577%0.77SS**  trans69.1145.9143.4-73.1167.6180170.81.3119
420S32.3Very low31Very low85 Ų85163.6 Ų163.659%0.59475%0.751SS**  cis-179.4170.6-2.950.90000110.9
421R30.7Very low31Very low217 Ų217165.2 Ų165.282%0.81976%0.755SS**  trans79146.8152.8-74.2176.3-178.6163.10.1119
422E31.6Very low31.1Very low161 Ų161159.5 Ų159.575%0.75274%0.743SS**  cis175.2139.5-16.1-124.2175.8-176.800104.9
423R30.1Very low31.1Very low228 Ų228159.2 Ų159.286%0.8674%0.744SS**  174.9119.1124.8-105-177.3-176.5-178.83.3113.9
424D34.1Very low31.2Very low141 Ų141159.4 Ų159.475%0.75474%0.736SS**  trans-63158.7156.7-69.1-61.6000113.6
425R31Very low31.3Very low231 Ų231161.1 Ų161.187%0.87274%0.738SS**  -163.4118.7127.3-105.7171.5-164.6-178.13.1112.7
426H34.4Very low31.3Very low156 Ų156159.4 Ų159.472%0.72274%0.738SS**  trans-72.8150.6159.3-91.2-80.7000111.8
427H30.6Very low31.5Very low196 Ų196162.1 Ų162.191%0.90774%0.742SS**  -161.8141.1125.7-102.7-44.9000113.4
428K32.3Very low32.3Very low175 Ų175160.7 Ų160.776%0.76175%0.746SS**  trans-89.8160.2173.6-62.4173.5174.4177.30110.1
429H31.2Very low32.3Very low171 Ų171164.4 Ų164.479%0.79275%0.754SS**  152.1122.6108.6-138.3-77.1000114.6
430S30Very low32.3Very low82 Ų82164.9 Ų164.957%0.57376%0.756SS**  trans41.2143.3143.4740000124.3
431K29.3Very low32.3Very low202 Ų202165.1 Ų165.188%0.87876%0.758SS**  -176.1159.987.3-113.4176.8-177178.20113.5
432S32.8Very low32.4Very low96 Ų96165.6 Ų165.667%0.67176%0.76SS**  trans-97.4158.8-166.249.50000115.8
433H30.5Very low32.5Very low170 Ų170162.6 Ų162.679%0.78776%0.757SS**  trans-178.6119.6130.1-109.2-69.9000108.5
434E32.4Very low32.7Very low128 Ų128163 Ų16360%0.59876%0.758SS**  93132.955.4-133.8-155.1170.500114.9
435K32.5Very low33Very low146 Ų146161.7 Ų161.764%0.63576%0.76SS**  trans78.7139.3158.2-73.1164.8177.3139.90118.3
436H31.3Very low33.8Very low169 Ų169156.3 Ų156.378%0.78276%0.755SS**  cis-155.7144.329.8-112.3-68.6000112.1
437R33.7Very low33.7Very low215 Ų215158.1 Ų158.181%0.81176%0.76SS**  trans-94.5157.4145.9-131.5-175.6-173.8-168.43.4106.8
438P45.3Very low33.9Very low114 Ų114158.1 Ų158.174%0.7476%0.758SS**  -152.9165.376.535.7-13.5000118.1
439E32.7Very low34.1Very low153 Ų153154.3 Ų154.372%0.71575%0.754SS**  trans11.9140.6149.3-47.4-152.9159.300123.2
440R29.9Very low34.5Very low227 Ų227155.1 Ų155.186%0.85776%0.755SS**  174.6159.890.3-117168.2-172.4-169.21.2112.9
441S32.4Very low34.9Very low90 Ų90158.3 Ų158.363%0.62977%0.765SS**  trans-59.5154.2-179.348.40000117.3
442R32.3Very low35.5Very low227 Ų227158.8 Ų158.886%0.85777%0.767SS**  160.6128.8116.4-88.4170.1177.2168.8-1113.4
443S33.6Very low35.8Very low98 Ų98162.9 Ų162.969%0.68578%0.776SS**  trans11.5134.5141.751.20000120.8
444R34.3Very low36.4Very low237 Ų237165.8 Ų165.889%0.89478%0.78SS**  169126.3113.8-95.9169.3171.7168.8-2.5112.3
445S39.8Very low36.8Very low113 Ų113164.1 Ų164.179%0.7978%0.782SS**  trans-66.4156.1150.3-44.20000110.3
446P48Very low37.4Very low118 Ų118168.3 Ų168.377%0.76679%0.794SS**  -141.5135.4107.827.4-8.6000112.1
447K33.3Very low38.1Very low193 Ų193169 Ų16984%0.83980%0.798SS**  63.9138.987.2-92.8-168.8-178-178.60116.2
448K34.8Very low38.5Very low196 Ų196174.3 Ų174.385%0.85282%0.817SS**  trans82.7138.8163.8-71.6179.2174.3179.70114.5
449S35.6Very low38.1Very low96 Ų96177.3 Ų177.367%0.67182%0.821SS**  cis179.9157.63.548.10000103.4
450K41.1Very low38.4Very low188 Ų188178.6 Ų178.682%0.81783%0.827SS**  cis174.2145.149.7-141.2165-174.1-177.50105.3
451D36.8Very low38.9Very low149 Ų149175.9 Ų175.980%0.79783%0.825SS**  trans-44.5144.5163.2-57.8-72.4000113.3
452K42.5Very low39.3Very low211 Ų211180.9 Ų180.992%0.91784%0.837SS**  -160105.1128.4-113174.7-177.8-177.50111.1
453E39Very low39.7Very low182 Ų182178.1 Ų178.185%0.8584%0.835SS**  trans-42.7138.1146.9-62174129.800111.2
454R42.3Very low40.1Very low232 Ų232183.4 Ų183.488%0.87585%0.845SS**  -174.9121.1116.7-112.3-178.9172-174.5-3.9112.9
455S41.7Very low40.6Very low92 Ų92179.6 Ų179.664%0.64384%0.842SS**  trans33115.8134.562.40000118.3
456R44.9Very low40.6Very low234 Ų234184.7 Ų184.788%0.88385%0.846SS**  42.5101.783.8-77.6-172.1176.6172.5-0.1114
457H45.5Very low40Very low185 Ų185190.3 Ų190.386%0.85685%0.852SS**  trans15499.4132.8-894.7000110
458R42.6Very low40.6Very low325 Ų325190 Ų190100%1.22685%0.854SS**  -171.80110.5-116.9179.5177-179-1.5110.1

Retrieved 458 of 458 residues in 1154 ms (Link to these results)

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