A0A077ZJB3_TRITR Loading...

Protein CLP1 homolog

Required for endonucleolytic cleavage during polyadenylation-dependent pre-mRNA 3'-end formation.

AlphaFold DB , UniProt , Accession A0A077ZJB3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 423 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
1M44Very low69.4Low211 Ų21192.1 Ų92.1100%1.03953%0.527SS*.  0-31.40-96.2-171.1179.600112.8
2A49.4Very low71.8Confident63 Ų6389.6 Ų89.652%0.52150%0.503SS..Hα-helixtrans-60.9-48.5173.700000112.4A4 K5 E6A2-A4 VanDerWaalsContact C-N 3.31Å; A2-A4 PolarHBondContact O-N 3.1Å; A2-K5 PolarHBondContact O-N 3.08Å; A2-K5 VanDerWaalsContact O-N 3.08Å; A2-E6 PolarHBondContact O-N 3.19Å; A2-E6 VanDerWaalsContact O-N 3.1Å
3D55.2Low73.8Confident129 Ų12995.8 Ų95.869%0.6952%0.521SS*.Hα-helixtrans-58.3-35.8-177-55.9-29.4000114.7A7D3-A7 PolarHBondContact O-N 2.85Å
4A57.4Low75.6Confident66 Ų6689 Ų8955%0.54548%0.484SS..Hα-helixtrans-71.2-37179.400000112.1A2 T8A2-A4 VanDerWaalsContact C-N 3.31Å; A2-A4 PolarHBondContact O-N 3.1Å; A4-T8 PolarHBondContact O-N 3.24Å; A4-T8 PolarHBondContact O-OG1 3.24Å
5K57.1Low77Confident139 Ų13984.7 Ų84.760%0.60447%0.469SS*.Hα-helixtrans-71-35.7176.8-75.4-172.1175.7-1760111.8A2 A7 T8 G9 V10A2-K5 PolarHBondContact O-N 3.08Å; A2-K5 VanDerWaalsContact O-N 3.08Å; K5-A7 VanDerWaalsContact C-N 3.32Å; K5-A7 PolarHBondContact O-N 3.23Å; K5-T8 PolarHBondContact O-N 3.28Å; K5-T8 PolarHBondContact O-OG1 3.36Å; K5-G9 CarbonylContact O-C 3.54Å; K5-G9 WeakPolarHBondContact O-CA 3.37Å; K5-G9 PolarHBondContact O-N 2.78Å; K5-V10 HydrophobicContact CB-CG2 4.26Å
6E63.7Low78.3Confident64 Ų6487.6 Ų87.630%0.29948%0.478SS..Hα-helixtrans-64.7-37.4175.9-70.4-177.4-16100111.9A2 G73 T74A2-E6 PolarHBondContact O-N 3.19Å; A2-E6 VanDerWaalsContact O-N 3.1Å; E6-G73 PolarHBondContact O-N 2.7Å; E6-T74 PolarHBondContact OE2-OG1 2.78Å
7A70.5Confident79.4Confident63 Ų6385.9 Ų85.952%0.52147%0.468SS..Hα-helixtrans-68.7-40.4176.700000113.1D3 K5 K72D3-A7 PolarHBondContact O-N 2.85Å; K5-A7 VanDerWaalsContact C-N 3.32Å; K5-A7 PolarHBondContact O-N 3.23Å; A7-K72 WeakPolarHBondContact O-CE 3.21Å
8T82.3Confident80.4Confident93 Ų9383.6 Ų83.657%0.57145%0.454SS*.Hα-helixtrans-81.3-24179.356.70000113.3A4 K5 K70A4-T8 PolarHBondContact O-N 3.24Å; A4-T8 PolarHBondContact O-OG1 3.24Å; K5-T8 PolarHBondContact O-N 3.28Å; K5-T8 PolarHBondContact O-OG1 3.36Å; T8-K70 WeakPolarHBondContact O-CE 3.44Å; T8-K70 PolarHBondContact O-NZ 3.5Å
9G90.3Very high81.3Confident12 Ų1279.6 Ų79.612%0.12443%0.432CS..  trans84.8152.5-170.800000113.3K5 L71K5-G9 CarbonylContact O-C 3.54Å; K5-G9 WeakPolarHBondContact O-CA 3.37Å; K5-G9 PolarHBondContact O-N 2.78Å; G9-L71 CarbonylContact C-O 3.52Å; G9-L71 WeakPolarHBondContact CA-O 3.45Å
10V96.1Very high82.1Confident52 Ų5275.7 Ų75.732%0.31541%0.41SS..EExtended strand (participates in β ladder)trans-111.4129.6179.6-1780000109.3K5 Y12 K70 L71K5-V10 HydrophobicContact CB-CG2 4.26Å; V10-Y12 HydrophobicContact CB-CE2 3.79Å; V10-Y12 HydrophobicContact CG1-CD2 4.29Å; V10-Y12 HydrophobicContact CG1-CE1 4.4Å; V10-Y12 HydrophobicContact CG1-CE2 3.6Å; V10-Y12 WeakPolarHBondContact O-CD2 3.44Å; V10-K70 WeakPolarHBondContact O-CA 3.38Å; V10-L71 PolarHBondContact N-O 2.86Å; V10-L71 PolarHBondContact O-N 3.44Å
11E97.4Very high82.8Confident121 Ų12173.1 Ų73.157%0.56540%0.395SS*.EExtended strand (participates in β ladder)trans-88.5138.5175.5-70.3177.6-170.500111.3T68 V69 K70E11-T68 HydrophobicContact CB-CG2 4.36Å; E11-V69 CarbonylContact C-O 3.57Å; E11-V69 WeakPolarHBondContact CA-O 3.07Å; E11-K70 HydrophobicContact CG-CB 4.14Å; E11-K70 HydrophobicContact CG-CD 4.37Å; E11-K70 HydrophobicContact CG-CG 4.17Å
12Y98.1Very high85.3Confident62 Ų6263.2 Ų63.224%0.24335%0.346CS..EExtended strand (participates in β ladder)trans-125.5125.6177.9-65.9-90.2000108.8V10 L20 T68 V69 L71 V78V10-Y12 HydrophobicContact CB-CE2 3.79Å; V10-Y12 HydrophobicContact CG1-CD2 4.29Å; V10-Y12 HydrophobicContact CG1-CE1 4.4Å; V10-Y12 HydrophobicContact CG1-CE2 3.6Å; V10-Y12 WeakPolarHBondContact O-CD2 3.44Å; Y12-L20 HydrophobicContact CD1-CD1 3.84Å; Y12-L20 HydrophobicContact CD2-CD2 3.97Å; Y12-L20 HydrophobicContact CE1-CD1 4.37Å; Y12-L20 HydrophobicContact CG-CD1 3.96Å; Y12-L20 HydrophobicContact CG-CD2 3.89Å; Y12-T68 WeakPolarHBondContact O-CA 3.34Å; Y12-V69 PolarHBondContact N-O 2.81Å; Y12-V69 PolarHBondContact O-N 3.41Å; Y12-L71 HydrophobicContact CD2-CB 4.39Å; Y12-L71 HydrophobicContact CD2-CD1 4.09Å; Y12-L71 HydrophobicContact CD2-CG 3.88Å; Y12-L71 HydrophobicContact CE2-CB 4.01Å; Y12-L71 HydrophobicContact CE2-CD1 3.73Å; Y12-L71 HydrophobicContact CE2-CG 3.81Å; Y12-V78 HydrophobicContact CE1-CG1 3.76Å; Y12-V78 HydrophobicContact CE2-CG1 4.3Å
13K98.3Very high87.4Confident170 Ų17062.2 Ų62.274%0.73933%0.33SS*.EExtended strand (participates in β ladder)trans-90.9114.8172.1-170.5173.1-174.6172.60109.1I80K13-I80 WeakPolarHBondContact O-CD1 2.83Å
14I98.3Very high89.2Confident1 Ų156.1 Ų56.11%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-98127.3179-56.8171.2000107.1Q18 L20 V61 G66 C67 V69I14-Q18 HydrophobicContact CG2-CB 3.79Å; I14-Q18 VanDerWaalsContact CG2-O 3.26Å; I14-Q18 WeakPolarHBondContact CG2-O 3.19Å; I14-L20 HydrophobicContact CD1-CB 3.5Å; I14-L20 HydrophobicContact CD1-CD2 4.46Å; I14-L20 HydrophobicContact CG1-CB 3.97Å; I14-V61 HydrophobicContact CD1-CB 4.25Å; I14-V61 HydrophobicContact CD1-CG1 4.2Å; I14-G66 CarbonylContact O-C 3.24Å; I14-G66 WeakPolarHBondContact O-CA 3.36Å; I14-C67 PolarHBondContact N-O 3.35Å; I14-C67 PolarHBondContact O-N 3.09Å; I14-V69 HydrophobicContact CD1-CG1 4.18Å; I14-V69 HydrophobicContact CD1-CG2 3.7Å; I14-V69 HydrophobicContact CG1-CG2 4.41Å
15G97.8Very high90.6Very high24 Ų2454.5 Ų54.525%0.24728%0.284CS..  trans-78.1177.8177.100000113.4Q18G15-Q18 VanDerWaalsContact N-OE1 3.14Å; G15-Q18 WeakPolarHBondContact O-CB 3.45Å; G15-Q18 PolarHBondContact O-N 3.2Å
16E97.3Very high92Very high132 Ų13253.6 Ų53.662%0.61729%0.286SS*.THydrogen-bonded Turntrans-57.4134.6170.5-169.7179.418000111.3Q18 W64E16-Q18 WeakPolarHBondContact O-CG 3.4Å; E16-Q18 PolarHBondContact O-N 2.78Å; E16-W64 VanDerWaalsContact CG-O 3.28Å; E16-W64 WeakPolarHBondContact CG-O 3.16Å
17D96.5Very high93.3Very high59 Ų5952.9 Ų52.932%0.31630%0.296SS..THydrogen-bonded Turntrans56.525-177.8-62.9-34.8000115.2S63D17-S63 WeakPolarHBondContact CA-O 3.4Å; D17-S63 PolarHBondContact N-O 2.88Å
18Q97.8Very high94.4Very high44 Ų4453.6 Ų53.621%0.20629%0.294CS..EExtended strand (participates in β ladder)trans-110.5158.3179.6-60.1177.77.600111.5I14 G15 E16 F62 S63 I80 A81 K82I14-Q18 HydrophobicContact CG2-CB 3.79Å; I14-Q18 VanDerWaalsContact CG2-O 3.26Å; I14-Q18 WeakPolarHBondContact CG2-O 3.19Å; G15-Q18 VanDerWaalsContact N-OE1 3.14Å; G15-Q18 WeakPolarHBondContact O-CB 3.45Å; G15-Q18 PolarHBondContact O-N 3.2Å; E16-Q18 WeakPolarHBondContact O-CG 3.4Å; E16-Q18 PolarHBondContact O-N 2.78Å; Q18-F62 WeakPolarHBondContact O-CD2 3.32Å; Q18-S63 PolarHBondContact O-N 2.88Å; Q18-I80 HydrophobicContact CB-CG2 3.92Å; Q18-I80 HydrophobicContact CG-CG2 4.44Å; Q18-A81 WeakPolarHBondContact CA-O 3.05Å; Q18-K82 HydrophobicContact CG-CG 4.42Å
19E96.8Very high95.1Very high8 Ų849.2 Ų49.24%0.03727%0.267CS..EExtended strand (participates in β ladder)trans-132.4140.5170.159.2-169.1-160.300112.9R21 V61 F62 I80 A81 T84E19-R21 HydrophobicContact CG-CG 4.2Å; E19-R21 IonicContact OE1-CZ 3.08Å; E19-R21 IonicContact OE1-NE 2.7Å; E19-R21 PolarHBondContact OE1-NE 2.83Å; E19-R21 IonicContact OE1-NH2 2.65Å; E19-R21 PolarHBondContact OE1-NH2 2.97Å; E19-V61 CarbonylContact C-O 3.47Å; E19-V61 WeakPolarHBondContact CA-O 3.23Å; E19-V61 WeakPolarHBondContact CB-O 3.28Å; E19-F62 HydrophobicContact CB-CB 3.98Å; E19-F62 HydrophobicContact CB-CD2 3.99Å; E19-F62 HydrophobicContact CB-CG 4.48Å; E19-I80 CarbonylContact O-C 3.58Å; E19-I80 WeakPolarHBondContact O-CA 3.44Å; E19-A81 HydrophobicContact CG-CB 3.91Å; E19-A81 PolarHBondContact N-O 2.72Å; E19-A81 VanDerWaalsContact N-O 3.14Å; E19-A81 PolarHBondContact O-N 2.92Å; E19-T84 HydrophobicContact CG-CG2 3.63Å
20L98Very high95.4Very high0 Ų049.6 Ų49.60%027%0.267CS..EExtended strand (participates in β ladder)trans-85.2120.9166.8-179.770.4000108.8Y12 I14 A60 V61 V69 L71 V78 I80Y12-L20 HydrophobicContact CD1-CD1 3.84Å; Y12-L20 HydrophobicContact CD2-CD2 3.97Å; Y12-L20 HydrophobicContact CE1-CD1 4.37Å; Y12-L20 HydrophobicContact CG-CD1 3.96Å; Y12-L20 HydrophobicContact CG-CD2 3.89Å; I14-L20 HydrophobicContact CD1-CB 3.5Å; I14-L20 HydrophobicContact CD1-CD2 4.46Å; I14-L20 HydrophobicContact CG1-CB 3.97Å; L20-A60 CarbonylContact O-C 3.39Å; L20-A60 WeakPolarHBondContact O-CA 3.26Å; L20-V61 HydrophobicContact CB-CB 4.43Å; L20-V61 PolarHBondContact N-O 3.21Å; L20-V61 PolarHBondContact O-N 2.88Å; L20-V69 HydrophobicContact CD2-CG2 3.57Å; L20-L71 HydrophobicContact CD2-CD1 3.82Å; L20-L71 HydrophobicContact CD2-CD2 4.22Å; L20-L71 HydrophobicContact CD2-CG 4.02Å; L20-V78 HydrophobicContact CD1-CG1 3.77Å; L20-I80 HydrophobicContact CD1-CG1 3.94Å
21R97.1Very high95.4Very high22 Ų2247.1 Ų47.18%0.08325%0.252CS..EExtended strand (participates in β ladder)trans-106.8143.2176.4-66.6175-178.4159.64.3110.4E19 I59 A60 V78 Y79 A81 S278 G279E19-R21 HydrophobicContact CG-CG 4.2Å; E19-R21 IonicContact OE1-CZ 3.08Å; E19-R21 IonicContact OE1-NE 2.7Å; E19-R21 PolarHBondContact OE1-NE 2.83Å; E19-R21 IonicContact OE1-NH2 2.65Å; E19-R21 PolarHBondContact OE1-NH2 2.97Å; R21-I59 WeakPolarHBondContact CA-O 3.18Å; R21-A60 HydrophobicContact CG-CB 4.21Å; R21-V78 VanDerWaalsContact O-CA 3.28Å; R21-V78 WeakPolarHBondContact O-CA 3.36Å; R21-Y79 HydrophobicContact CB-CD1 4.46Å; R21-Y79 HydrophobicContact CB-CE1 4.02Å; R21-Y79 WeakPolarHBondContact CD-OH 3.32Å; R21-Y79 PolarHBondContact N-O 2.88Å; R21-Y79 PolarHBondContact NH1-OH 2.91Å; R21-Y79 PolarHBondContact O-N 3.16Å; R21-Y79 VanDerWaalsContact O-N 3.09Å; R21-A81 VanDerWaalsContact CZ-CB 3.48Å; R21-S278 PolarHBondContact NH2-OG 3.32Å; R21-G279 PolarHBondContact NH1-O 2.92Å
22F95.8Very high95.5Very high3 Ų342 Ų421%0.01323%0.229CC..EExtended strand (participates in β ladder)trans-161.1162.117266.1-87.1000111.7V24 V29 V31 F53 I59 V61 L71 A75 E76 V78F22-V24 HydrophobicContact CD2-CG2 4.31Å; F22-V24 HydrophobicContact CE2-CG2 4.01Å; F22-V29 HydrophobicContact CD2-CG1 4.21Å; F22-V29 HydrophobicContact CE2-CB 4.15Å; F22-V29 HydrophobicContact CE2-CG1 3.7Å; F22-V29 HydrophobicContact CZ-CG1 4.25Å; F22-V31 HydrophobicContact CE1-CG2 3.8Å; F22-V31 HydrophobicContact CZ-CG2 3.43Å; F22-V31 VanDerWaalsContact CZ-CG2 3.43Å; F22-F53 HydrophobicContact CZ-CD2 4.41Å; F22-I59 HydrophobicContact CD1-CB 4.19Å; F22-I59 HydrophobicContact CE1-CB 3.59Å; F22-I59 HydrophobicContact CE1-CG1 4.37Å; F22-I59 HydrophobicContact CE1-CG2 3.64Å; F22-I59 HydrophobicContact CE2-CB 3.95Å; F22-I59 HydrophobicContact CE2-CG1 3.9Å; F22-I59 HydrophobicContact CZ-CB 3.45Å; F22-I59 VanDerWaalsContact CZ-CB 3.45Å; F22-I59 HydrophobicContact CZ-CG1 3.71Å; F22-I59 HydrophobicContact CZ-CG2 3.7Å; F22-I59 PolarHBondContact N-O 3.38Å; F22-I59 VanDerWaalsContact N-O 3.1Å; F22-I59 PolarHBondContact O-N 2.94Å; F22-V61 HydrophobicContact CE1-CG2 4.25Å; F22-L71 HydrophobicContact CD1-CD1 3.99Å; F22-L71 HydrophobicContact CD1-CD2 4.37Å; F22-L71 HydrophobicContact CE1-CD1 4.35Å; F22-L71 HydrophobicContact CE1-CD2 3.9Å; F22-L71 HydrophobicContact CG-CD1 4.26Å; F22-L71 HydrophobicContact CZ-CD2 4.23Å; F22-A75 HydrophobicContact CB-CB 4.17Å; F22-A75 HydrophobicContact CD2-CB 4.04Å; F22-A75 HydrophobicContact CG-CB 4.36Å; F22-E76 WeakPolarHBondContact CA-O 3.36Å; F22-V78 HydrophobicContact CB-CB 4.44Å; F22-V78 HydrophobicContact CB-CG2 3.86Å
23E93.7Very high95.5Very high42 Ų4239.1 Ų39.120%0.19622%0.218CC..EExtended strand (participates in β ladder)trans-117.5151.1172.2-50.9-152.6153.400111.2S57 R58 A75 E76E23-S57 WeakPolarHBondContact CA-O 3.26Å; E23-R58 HydrophobicContact CG-CG 4.02Å; E23-R58 VanDerWaalsContact OE1-CD 3.3Å; E23-R58 WeakPolarHBondContact OE1-CD 3.32Å; E23-R58 WeakPolarHBondContact OE1-CG 3.29Å; E23-R58 IonicContact OE1-CZ 3.44Å; E23-R58 IonicContact OE1-NE 2.69Å; E23-R58 PolarHBondContact OE1-NE 2.88Å; E23-R58 IonicContact OE1-NH2 3.47Å; E23-R58 PolarHBondContact OE1-NH2 2.82Å; E23-R58 IonicContact OE2-CZ 3.54Å; E23-R58 IonicContact OE2-NE 3.58Å; E23-R58 IonicContact OE2-NH2 3.06Å; E23-R58 PolarHBondContact OE2-NH2 2.82Å; E23-A75 WeakPolarHBondContact O-CA 3.32Å; E23-E76 PolarHBondContact N-O 3.4Å; E23-E76 PolarHBondContact O-N 2.82Å
24V92.8Very high95.5Very high2 Ų233.8 Ų33.81%0.01220%0.196CC..  trans-104.498171.9-172.60000108.3F22 V29 F53 G54 V55 G56 S57F22-V24 HydrophobicContact CD2-CG2 4.31Å; F22-V24 HydrophobicContact CE2-CG2 4.01Å; V24-V29 HydrophobicContact CB-CG2 4.44Å; V24-V29 HydrophobicContact CG1-CG2 4.08Å; V24-V29 HydrophobicContact CG2-CB 3.79Å; V24-V29 HydrophobicContact CG2-CG2 3.83Å; V24-F53 HydrophobicContact CG2-CB 4Å; V24-G54 WeakPolarHBondContact CB-O 3.44Å; V24-V55 CarbonylContact O-C 3.59Å; V24-V55 WeakPolarHBondContact O-CA 3.38Å; V24-G56 PolarHBondContact O-N 2.65Å; V24-S57 PolarHBondContact N-O 2.85Å
25A87.2Confident95.5Very high31 Ų3140.3 Ų40.326%0.25623%0.227SC..  trans-83.7-35.7178.700000112.5V55 E76A25-V55 WeakPolarHBondContact O-CG1 3.21Å; A25-E76 HydrophobicContact CB-CB 4.48Å; A25-E76 HydrophobicContact CB-CG 3.84Å; A25-E76 VanDerWaalsContact CB-OE1 3.23Å; A25-E76 WeakPolarHBondContact CB-OE1 3.16Å; A25-E76 WeakPolarHBondContact CB-OE2 3.48Å
26N87Confident95.5Very high121 Ų12141.1 Ų41.165%0.64724%0.236SC*.SBendtrans-141.5145.7179.8-91.6-23.1000111.7
27G90.9Very high95.5Very high48 Ų4840.3 Ų40.350%0.49524%0.235SC..SBendtrans64.6-136.9177.500000113.2V55G27-V55 WeakPolarHBondContact O-CG2 3.48Å; G27-V55 PolarHBondContact O-N 3.01Å
28T93.2Very high95.6Very high79 Ų7937.9 Ų37.949%0.48522%0.223SC..EExtended strand (participates in β ladder)trans-134.3133.7-175.4-58.90000109.7A52 F53T28-A52 HydrophobicContact CG2-CB 3.73Å; T28-F53 CarbonylContact C-O 3.46Å; T28-F53 VanDerWaalsContact CA-O 3.29Å; T28-F53 WeakPolarHBondContact CA-O 3.25Å
29V95.9Very high95.7Very high0 Ų036 Ų360%022%0.215CC..EExtended strand (participates in β ladder)trans-110.9126.5172.6175.70000109.3F22 V24 F53 K72 T74 A75F22-V29 HydrophobicContact CD2-CG1 4.21Å; F22-V29 HydrophobicContact CE2-CB 4.15Å; F22-V29 HydrophobicContact CE2-CG1 3.7Å; F22-V29 HydrophobicContact CZ-CG1 4.25Å; V24-V29 HydrophobicContact CB-CG2 4.44Å; V24-V29 HydrophobicContact CG1-CG2 4.08Å; V24-V29 HydrophobicContact CG2-CB 3.79Å; V24-V29 HydrophobicContact CG2-CG2 3.83Å; V29-F53 PolarHBondContact N-O 2.8Å; V29-F53 PolarHBondContact O-N 2.91Å; V29-K72 CarbonylContact C-O 3.55Å; V29-K72 WeakPolarHBondContact CA-O 3.46Å; V29-T74 WeakPolarHBondContact CG2-O 3.47Å; V29-A75 HydrophobicContact CG1-CB 4.17Å; V29-A75 HydrophobicContact CG2-CB 3.89Å
30T96.7Very high95.7Very high20 Ų2035.7 Ų35.712%0.12321%0.213CC..EExtended strand (participates in β ladder)trans-99.4127.6176.4-57.90000110.8Q50 Y51 L71 K72T30-Q50 HydrophobicContact CG2-CB 3.56Å; T30-Q50 HydrophobicContact CG2-CG 3.85Å; T30-Y51 CarbonylContact C-O 3.58Å; T30-Y51 VanDerWaalsContact CA-O 3.26Å; T30-Y51 WeakPolarHBondContact CA-O 3.36Å; T30-L71 CarbonylContact O-C 3.53Å; T30-L71 WeakPolarHBondContact O-CA 3.41Å; T30-K72 PolarHBondContact N-O 2.69Å; T30-K72 PolarHBondContact O-N 3.47Å
31V97.9Very high95.7Very high0 Ų037.3 Ų37.30%022%0.22CC..EExtended strand (participates in β ladder)trans-97.6134.6168.8-176.50000108.9F22 L45 Y51 F53 V61 K70 L71F22-V31 HydrophobicContact CE1-CG2 3.8Å; F22-V31 HydrophobicContact CZ-CG2 3.43Å; F22-V31 VanDerWaalsContact CZ-CG2 3.43Å; V31-L45 HydrophobicContact CG1-CD1 4.27Å; V31-Y51 PolarHBondContact N-O 2.86Å; V31-Y51 PolarHBondContact O-N 2.91Å; V31-F53 HydrophobicContact CB-CE2 4.13Å; V31-F53 HydrophobicContact CG2-CD2 3.89Å; V31-F53 HydrophobicContact CG2-CE2 3.62Å; V31-V61 HydrophobicContact CG1-CG2 4.07Å; V31-K70 CarbonylContact C-O 3.49Å; V31-K70 WeakPolarHBondContact CA-O 3.3Å; V31-L71 HydrophobicContact CB-CD2 4.27Å; V31-L71 HydrophobicContact CG1-CD2 4.34Å; V31-L71 HydrophobicContact CG2-CD2 3.66Å
32T98.2Very high95.7Very high13 Ų1336.2 Ų36.28%0.0822%0.216CC..EExtended strand (participates in β ladder)trans-132.8126171.6-51.40000109.5I34 Q50 V69 K70T32-I34 HydrophobicContact CG2-CD1 3.99Å; T32-I34 PolarHBondContact O-N 2.84Å; T32-Q50 WeakPolarHBondContact OG1-CG 3.34Å; T32-V69 CarbonylContact O-C 3.5Å; T32-V69 VanDerWaalsContact O-CA 3.29Å; T32-V69 WeakPolarHBondContact O-CA 3.35Å; T32-K70 PolarHBondContact N-O 3.06Å; T32-K70 PolarHBondContact O-N 3.24Å
33L98.5Very high95.8Very high3 Ų336.2 Ų36.22%0.01622%0.216CC..EExtended strand (participates in β ladder)trans-76.6117.6170.9177.262.4000108.9E35 A38 L45 M48 C67 V69L33-E35 WeakPolarHBondContact CD1-O 3.35Å; L33-A38 HydrophobicContact CD1-CB 3.83Å; L33-A38 HydrophobicContact CD2-CB 4.38Å; L33-L45 HydrophobicContact CB-CB 4.18Å; L33-L45 HydrophobicContact CD2-CB 4.06Å; L33-L45 WeakPolarHBondContact CD2-O 3.32Å; L33-M48 PolarHBondContact O-N 2.81Å; L33-C67 HydrophobicContact CD1-CB 3.92Å; L33-V69 HydrophobicContact CD1-CG1 4.04Å
34I98.2Very high96Very high57 Ų5739.9 Ų39.929%0.29223%0.233SC..EExtended strand (participates in β ladder)trans-91.6-45.3-179.8-55.8-58.5000110.5T32 M48 T68 K70T32-I34 HydrophobicContact CG2-CD1 3.99Å; T32-I34 PolarHBondContact O-N 2.84Å; I34-M48 HydrophobicContact CD1-SD 4.06Å; I34-T68 HydrophobicContact CB-CG2 4.31Å; I34-T68 WeakPolarHBondContact CB-O 3.25Å; I34-T68 PolarHBondContact N-O 2.65Å; I34-K70 HydrophobicContact CD1-CB 3.92Å; I34-K70 HydrophobicContact CD1-CD 4.38Å; I34-K70 HydrophobicContact CG1-CB 3.87Å
35E97.9Very high96.3Very high138 Ų13840.4 Ų40.465%0.64524%0.236SC*.EExtended strand (participates in β ladder)trans-150.1149.9-175.5-173.2-177.9-175.800110.8L33 C67 T68L33-E35 WeakPolarHBondContact CD1-O 3.35Å; E35-C67 CarbonylContact O-C 3.54Å; E35-C67 VanDerWaalsContact O-CA 3.25Å; E35-C67 WeakPolarHBondContact O-CA 3.29Å; E35-C67 WeakPolarHBondContact O-CB 3.26Å; E35-T68 PolarHBondContact N-O 3.38Å; E35-T68 PolarHBondContact O-N 3.3Å
36G98Very high96.8Very high42 Ų4244.2 Ų44.243%0.43325%0.25SC..EExtended strand (participates in β ladder)trans85-160.4176.700000113.2
37L97.9Very high97.3Very high114 Ų11441.8 Ų41.860%0.59725%0.247SC*.  trans-118.8133.3179.7-62.6176.6000109.8S63 Y65L37-S63 WeakPolarHBondContact O-CB 3.39Å; L37-S63 PolarHBondContact O-OG 3.43Å; L37-Y65 HydrophobicContact CD1-CD2 4.18Å
38A98.5Very high97.6Very high9 Ų945.5 Ų45.57%0.07425%0.253CS..  trans-144.5154.2-179.700000111L33 L45 V61 F62 C67L33-A38 HydrophobicContact CD1-CB 3.83Å; L33-A38 HydrophobicContact CD2-CB 4.38Å; A38-L45 HydrophobicContact CB-CB 4.49Å; A38-L45 HydrophobicContact CB-CD1 4.08Å; A38-L45 HydrophobicContact CB-CG 4.42Å; A38-L45 PolarHBondContact O-N 3.27Å; A38-V61 HydrophobicContact CB-CG1 3.95Å; A38-F62 CarbonylContact C-O 3.54Å; A38-F62 VanDerWaalsContact CA-O 3.32Å; A38-F62 WeakPolarHBondContact CA-O 3.38Å; A38-C67 HydrophobicContact CB-CB 4.31Å
39E98.4Very high97.8Very high5 Ų545.4 Ų45.42%0.02325%0.246CC..EExtended strand (participates in β ladder)trans-137153.6174.459.5179-132.500111.8S43 F62 M86 Y133 R136E39-S43 CarbonylContact C-O 3.45Å; E39-S43 WeakPolarHBondContact CA-O 3.48Å; E39-S43 WeakPolarHBondContact CB-O 3.46Å; E39-F62 HydrophobicContact CG-CB 4.36Å; E39-F62 HydrophobicContact CG-CD1 4.17Å; E39-F62 PolarHBondContact N-O 3.24Å; E39-F62 PolarHBondContact O-N 2.95Å; E39-M86 WeakPolarHBondContact OE1-CE 3.12Å; E39-Y133 WeakPolarHBondContact OE1-CE1 3.5Å; E39-Y133 PolarHBondContact OE1-OH 3.38Å; E39-R136 IonicContact OE2-CZ 3.08Å; E39-R136 IonicContact OE2-NH1 2.65Å; E39-R136 PolarHBondContact OE2-NH1 3.44Å; E39-R136 IonicContact OE2-NH2 3.81Å
40I98.2Very high97.8Very high0 Ų051.8 Ų51.80%028%0.275CS..EExtended strand (participates in β ladder)trans-115.2111.3168.6-68.9175.1000107.1G42 S43 L45 F53 I59 V61 P170I40-G42 PolarHBondContact O-N 2.7Å; I40-S43 PolarHBondContact N-O 2.79Å; I40-S43 WeakPolarHBondContact O-CB 3.17Å; I40-S43 PolarHBondContact O-N 3.14Å; I40-L45 HydrophobicContact CB-CD2 4.41Å; I40-L45 HydrophobicContact CD1-CD1 4.13Å; I40-L45 HydrophobicContact CD1-CD2 3.85Å; I40-L45 HydrophobicContact CG1-CD1 4.15Å; I40-L45 HydrophobicContact CG1-CD2 3.97Å; I40-L45 HydrophobicContact CG1-CG 4.38Å; I40-F53 HydrophobicContact CD1-CE2 4.02Å; I40-F53 HydrophobicContact CD1-CZ 3.62Å; I40-I59 HydrophobicContact CD1-CG2 3.77Å; I40-I59 HydrophobicContact CG1-CG2 4.16Å; I40-I59 HydrophobicContact CG2-CG2 4.25Å; I40-V61 HydrophobicContact CD1-CG2 4.05Å; I40-V61 HydrophobicContact CG1-CB 4.46Å; I40-V61 HydrophobicContact CG1-CG1 4.5Å; I40-V61 HydrophobicContact CG1-CG2 3.98Å; I40-P170 HydrophobicContact CB-CB 4.34Å; I40-P170 HydrophobicContact CD1-CB 4.28Å
41F97.2Very high97.8Very high34 Ų3451.1 Ų51.115%0.14927%0.271CS..THydrogen-bonded Turntrans50.942.4179.8-47.4-52.7000113.1S43 R58 I59 A60 T125 R128 I129 N132F41-S43 VanDerWaalsContact C-N 3.33Å; F41-S43 PolarHBondContact O-N 2.91Å; F41-R58 WeakPolarHBondContact CZ-O 3.44Å; F41-I59 HydrophobicContact CE2-CD1 4.46Å; F41-A60 HydrophobicContact CE1-CB 3.91Å; F41-A60 HydrophobicContact CZ-CB 4.42Å; F41-T125 HydrophobicContact CB-CG2 4.36Å; F41-T125 HydrophobicContact CD1-CG2 3.26Å; F41-T125 HydrophobicContact CE1-CG2 3.58Å; F41-T125 HydrophobicContact CG-CG2 3.85Å; F41-T125 HydrophobicContact CZ-CG2 4.39Å; F41-R128 HydrophobicContact CB-CG 4.19Å; F41-I129 VanDerWaalsContact C-CG1 3.49Å; F41-I129 HydrophobicContact CB-CG1 4.08Å; F41-I129 WeakPolarHBondContact O-CA 3.49Å; F41-N132 PolarHBondContact O-ND2 3.22Å
42G97.8Very high97.7Very high0 Ų052.4 Ų52.40%028%0.282CS..THydrogen-bonded Turntrans84.5-8.7-178.800000115.9I40 R136I40-G42 PolarHBondContact O-N 2.7Å; G42-R136 WeakPolarHBondContact O-CD 3.47Å; G42-R136 PolarHBondContact O-NH1 3.21Å
43S98.2Very high97.6Very high2 Ų252 Ų521%0.01428%0.279CS..EExtended strand (participates in β ladder)trans-83.7117.4173.3-620000110.3E39 I40 F41 N132 A168E39-S43 CarbonylContact C-O 3.45Å; E39-S43 WeakPolarHBondContact CA-O 3.48Å; E39-S43 WeakPolarHBondContact CB-O 3.46Å; I40-S43 PolarHBondContact N-O 2.79Å; I40-S43 WeakPolarHBondContact O-CB 3.17Å; I40-S43 PolarHBondContact O-N 3.14Å; F41-S43 VanDerWaalsContact C-N 3.33Å; F41-S43 PolarHBondContact O-N 2.91Å; S43-N132 PolarHBondContact N-ND2 3.32Å; S43-N132 PolarHBondContact OG-ND2 3Å; S43-A168 VanDerWaalsContact CB-O 3.31Å; S43-A168 WeakPolarHBondContact CB-O 3.41Å; S43-A168 PolarHBondContact OG-O 2.85Å
44E97.9Very high97.2Very high120 Ų12053.4 Ų53.456%0.56129%0.294SS*.EExtended strand (participates in β ladder)trans-64.1138.2178.9-66.6179.516300112.1R136E44-R136 IonicContact OE1-CZ 3.74Å; E44-R136 IonicContact OE1-NE 2.77Å; E44-R136 PolarHBondContact OE1-NE 3.29Å; E44-R136 IonicContact OE1-NH2 3.81Å; E44-R136 PolarHBondContact OE1-NH2 3.46Å
45L98.3Very high96.8Very high13 Ų1355.1 Ų55.17%0.06831%0.307CS..PPolyproline II helixtrans-89.9134173.8-57.8-171.3000110.5V31 L33 A38 I40 Y51 V61 P170V31-L45 HydrophobicContact CG1-CD1 4.27Å; L33-L45 HydrophobicContact CB-CB 4.18Å; L33-L45 HydrophobicContact CD2-CB 4.06Å; L33-L45 WeakPolarHBondContact CD2-O 3.32Å; A38-L45 HydrophobicContact CB-CB 4.49Å; A38-L45 HydrophobicContact CB-CD1 4.08Å; A38-L45 HydrophobicContact CB-CG 4.42Å; A38-L45 PolarHBondContact O-N 3.27Å; I40-L45 HydrophobicContact CB-CD2 4.41Å; I40-L45 HydrophobicContact CD1-CD1 4.13Å; I40-L45 HydrophobicContact CD1-CD2 3.85Å; I40-L45 HydrophobicContact CG1-CD1 4.15Å; I40-L45 HydrophobicContact CG1-CD2 3.97Å; I40-L45 HydrophobicContact CG1-CG 4.38Å; L45-Y51 HydrophobicContact CB-CE2 4.15Å; L45-Y51 HydrophobicContact CD2-CD2 4.12Å; L45-Y51 HydrophobicContact CD2-CE1 4.29Å; L45-Y51 HydrophobicContact CD2-CE2 3.8Å; L45-Y51 HydrophobicContact CD2-CG 4.5Å; L45-Y51 HydrophobicContact CG-CE2 4.45Å; L45-V61 HydrophobicContact CD1-CG1 3.87Å; L45-P170 HydrophobicContact CD2-CB 4.07Å; L45-P170 HydrophobicContact CD2-CG 3.71Å
46M97.8Very high96.2Very high110 Ų11051 Ų5154%0.54230%0.301SS..PPolyproline II helixtrans-82.4135.3172-71.9-176.8-88.500110.1M48 K49 Y51M46-M48 PolarHBondContact O-N 2.94Å; M46-K49 HydrophobicContact CB-CB 3.96Å; M46-K49 HydrophobicContact CB-CD 4.44Å; M46-K49 HydrophobicContact CE-CD 3.46Å; M46-K49 VanDerWaalsContact CE-CD 3.46Å; M46-K49 PolarHBondContact O-N 2.99Å; M46-Y51 PolarHBondContact N-OH 2.88Å
47A97.8Very high95.8Very high71 Ų7150.5 Ų50.559%0.58729%0.291SS*.BIsolated β-bridgetrans-54.6136.3175.400000110.9K49A47-K49 PolarHBondContact O-N 3.1Å
48M97.5Very high95.6Very high125 Ų12549.3 Ų49.362%0.61628%0.278SS*.THydrogen-bonded Turntrans61.7-2.4179.5-54.4-57.5-68.800116.3L33 I34 M46L33-M48 PolarHBondContact O-N 2.81Å; I34-M48 HydrophobicContact CD1-SD 4.06Å; M46-M48 PolarHBondContact O-N 2.94Å
49K97.4Very high95.4Very high78 Ų7849.5 Ų49.534%0.33928%0.278SS..  trans-73136171-176.5175.2170.1-1720109.7M46 A47 Y51 D169M46-K49 HydrophobicContact CB-CB 3.96Å; M46-K49 HydrophobicContact CB-CD 4.44Å; M46-K49 HydrophobicContact CE-CD 3.46Å; M46-K49 VanDerWaalsContact CE-CD 3.46Å; M46-K49 PolarHBondContact O-N 2.99Å; A47-K49 PolarHBondContact O-N 3.1Å; K49-Y51 HydrophobicContact CB-CE2 3.9Å; K49-Y51 HydrophobicContact CD-CE1 3.89Å; K49-Y51 HydrophobicContact CD-CE2 4.21Å; K49-Y51 HydrophobicContact CG-CD2 4.49Å; K49-Y51 HydrophobicContact CG-CE1 4.37Å; K49-Y51 HydrophobicContact CG-CE2 3.96Å; K49-Y51 WeakPolarHBondContact O-CD2 3.11Å; K49-D169 IonicContact NZ-OD2 3.18Å
50Q95.8Very high95.4Very high134 Ų13449.8 Ų49.863%0.62628%0.281SS*.EExtended strand (participates in β ladder)trans-90.8128.5175.4-70.3-172.315.900110.6T30 T32T30-Q50 HydrophobicContact CG2-CB 3.56Å; T30-Q50 HydrophobicContact CG2-CG 3.85Å; T32-Q50 WeakPolarHBondContact OG1-CG 3.34Å
51Y97Very high95.4Very high5 Ų549.8 Ų49.82%0.0228%0.281CS..EExtended strand (participates in β ladder)trans-116.7112.2176-60.5-90000109T30 V31 L45 M46 K49 F53 P170 V171T30-Y51 CarbonylContact C-O 3.58Å; T30-Y51 VanDerWaalsContact CA-O 3.26Å; T30-Y51 WeakPolarHBondContact CA-O 3.36Å; V31-Y51 PolarHBondContact N-O 2.86Å; V31-Y51 PolarHBondContact O-N 2.91Å; L45-Y51 HydrophobicContact CB-CE2 4.15Å; L45-Y51 HydrophobicContact CD2-CD2 4.12Å; L45-Y51 HydrophobicContact CD2-CE1 4.29Å; L45-Y51 HydrophobicContact CD2-CE2 3.8Å; L45-Y51 HydrophobicContact CD2-CG 4.5Å; L45-Y51 HydrophobicContact CG-CE2 4.45Å; M46-Y51 PolarHBondContact N-OH 2.88Å; K49-Y51 HydrophobicContact CB-CE2 3.9Å; K49-Y51 HydrophobicContact CD-CE1 3.89Å; K49-Y51 HydrophobicContact CD-CE2 4.21Å; K49-Y51 HydrophobicContact CG-CD2 4.49Å; K49-Y51 HydrophobicContact CG-CE1 4.37Å; K49-Y51 HydrophobicContact CG-CE2 3.96Å; K49-Y51 WeakPolarHBondContact O-CD2 3.11Å; Y51-F53 WeakPolarHBondContact O-CD2 3.28Å; Y51-P170 HydrophobicContact CD1-CB 3.77Å; Y51-P170 HydrophobicContact CD1-CG 3.83Å; Y51-P170 HydrophobicContact CE1-CB 3.98Å; Y51-P170 HydrophobicContact CE1-CG 3.49Å; Y51-P170 VanDerWaalsContact CE1-CG 3.49Å; Y51-P170 HydrophobicContact CG-CB 4.49Å; Y51-V171 HydrophobicContact CD1-CG2 4.27Å
52A95.6Very high95.4Very high28 Ų2848.4 Ų48.423%0.23128%0.275CS..EExtended strand (participates in β ladder)trans-101.4117.7-172.300000111.3T28 V171 Q306T28-A52 HydrophobicContact CG2-CB 3.73Å; A52-V171 VanDerWaalsContact O-CG1 3.32Å; A52-V171 WeakPolarHBondContact O-CG1 3.48Å; A52-Q306 PolarHBondContact O-NE2 2.88Å
53F95Very high95.5Very high4 Ų448.4 Ų48.42%0.01828%0.275CS..EExtended strand (participates in β ladder)trans-107.3128.7-178-62.5-80.9000110.3F22 V24 T28 V29 V31 I40 Y51 I59 P170 V171F22-F53 HydrophobicContact CZ-CD2 4.41Å; V24-F53 HydrophobicContact CG2-CB 4Å; T28-F53 CarbonylContact C-O 3.46Å; T28-F53 VanDerWaalsContact CA-O 3.29Å; T28-F53 WeakPolarHBondContact CA-O 3.25Å; V29-F53 PolarHBondContact N-O 2.8Å; V29-F53 PolarHBondContact O-N 2.91Å; V31-F53 HydrophobicContact CB-CE2 4.13Å; V31-F53 HydrophobicContact CG2-CD2 3.89Å; V31-F53 HydrophobicContact CG2-CE2 3.62Å; I40-F53 HydrophobicContact CD1-CE2 4.02Å; I40-F53 HydrophobicContact CD1-CZ 3.62Å; Y51-F53 WeakPolarHBondContact O-CD2 3.28Å; F53-I59 HydrophobicContact CB-CG1 4.44Å; F53-I59 HydrophobicContact CD1-CD1 3.34Å; F53-I59 HydrophobicContact CD1-CG1 3.86Å; F53-I59 HydrophobicContact CD2-CD1 4.46Å; F53-I59 HydrophobicContact CD2-CG1 4.17Å; F53-I59 HydrophobicContact CE1-CD1 3.36Å; F53-I59 HydrophobicContact CE1-CG1 4.1Å; F53-I59 HydrophobicContact CE2-CD1 4.48Å; F53-I59 HydrophobicContact CE2-CG1 4.41Å; F53-I59 HydrophobicContact CG-CD1 3.92Å; F53-I59 HydrophobicContact CG-CG1 3.88Å; F53-I59 HydrophobicContact CZ-CD1 3.97Å; F53-I59 HydrophobicContact CZ-CG1 4.37Å; F53-I59 HydrophobicContact CZ-CG2 4.48Å; F53-P170 HydrophobicContact CZ-CB 4.39Å; F53-V171 HydrophobicContact CD1-CG1 4.42Å; F53-V171 HydrophobicContact CD1-CG2 4.24Å; F53-V171 HydrophobicContact CE1-CB 4.28Å; F53-V171 HydrophobicContact CE1-CG2 3.8Å; F53-V171 HydrophobicContact CE2-CG2 4.46Å; F53-V171 HydrophobicContact CZ-CG2 3.92Å
54G91Very high95.4Very high32 Ų3250.9 Ų50.933%0.3328%0.284SS..EExtended strand (participates in β ladder)trans-89.9177.5178.800000113.6V24 S57V24-G54 WeakPolarHBondContact CB-O 3.44Å; G54-S57 WeakPolarHBondContact O-CB 3.49Å; G54-S57 PolarHBondContact O-N 3.32Å; G54-S57 VanDerWaalsContact O-N 3.16Å; G54-S57 PolarHBondContact O-OG 3.46Å
55V88.9Confident95.4Very high94 Ų9453.7 Ų53.757%0.5729%0.291SS*.THydrogen-bonded Turntrans-48.3135.4179.5179.20000113.1V24 A25 G27 S57V24-V55 CarbonylContact O-C 3.59Å; V24-V55 WeakPolarHBondContact O-CA 3.38Å; A25-V55 WeakPolarHBondContact O-CG1 3.21Å; G27-V55 WeakPolarHBondContact O-CG2 3.48Å; G27-V55 PolarHBondContact O-N 3.01Å; V55-S57 VanDerWaalsContact C-N 3.29Å
56G85.7Confident95.4Very high50 Ų5054 Ų5452%0.51530%0.297SS..THydrogen-bonded Turntrans87.8-9.3-179.300000114.3V24V24-G56 PolarHBondContact O-N 2.65Å
57S90.8Very high95.4Very high32 Ų3249 Ų4922%0.22427%0.273CS..  trans-66.3136.9174.8-59.30000111.2E23 V24 G54 V55E23-S57 WeakPolarHBondContact CA-O 3.26Å; V24-S57 PolarHBondContact N-O 2.85Å; G54-S57 WeakPolarHBondContact O-CB 3.49Å; G54-S57 PolarHBondContact O-N 3.32Å; G54-S57 VanDerWaalsContact O-N 3.16Å; G54-S57 PolarHBondContact O-OG 3.46Å; V55-S57 VanDerWaalsContact C-N 3.29Å
58R92.2Very high95.5Very high89 Ų8946.6 Ų46.634%0.33625%0.251SS..EExtended strand (participates in β ladder)trans-126.3116.2174.3-68.7178.1168.670.710.4108.2E23 F41E23-R58 HydrophobicContact CG-CG 4.02Å; E23-R58 VanDerWaalsContact OE1-CD 3.3Å; E23-R58 WeakPolarHBondContact OE1-CD 3.32Å; E23-R58 WeakPolarHBondContact OE1-CG 3.29Å; E23-R58 IonicContact OE1-CZ 3.44Å; E23-R58 IonicContact OE1-NE 2.69Å; E23-R58 PolarHBondContact OE1-NE 2.88Å; E23-R58 IonicContact OE1-NH2 3.47Å; E23-R58 PolarHBondContact OE1-NH2 2.82Å; E23-R58 IonicContact OE2-CZ 3.54Å; E23-R58 IonicContact OE2-NE 3.58Å; E23-R58 IonicContact OE2-NH2 3.06Å; E23-R58 PolarHBondContact OE2-NH2 2.82Å; F41-R58 WeakPolarHBondContact CZ-O 3.44Å
59I95.7Very high95.5Very high14 Ų1440.7 Ų40.77%0.07222%0.222CC..EExtended strand (participates in β ladder)trans-122.2137.9-166.3-54.2-58.5000109.4R21 F22 I40 F41 F53 V61R21-I59 WeakPolarHBondContact CA-O 3.18Å; F22-I59 HydrophobicContact CD1-CB 4.19Å; F22-I59 HydrophobicContact CE1-CB 3.59Å; F22-I59 HydrophobicContact CE1-CG1 4.37Å; F22-I59 HydrophobicContact CE1-CG2 3.64Å; F22-I59 HydrophobicContact CE2-CB 3.95Å; F22-I59 HydrophobicContact CE2-CG1 3.9Å; F22-I59 HydrophobicContact CZ-CB 3.45Å; F22-I59 VanDerWaalsContact CZ-CB 3.45Å; F22-I59 HydrophobicContact CZ-CG1 3.71Å; F22-I59 HydrophobicContact CZ-CG2 3.7Å; F22-I59 PolarHBondContact N-O 3.38Å; F22-I59 VanDerWaalsContact N-O 3.1Å; F22-I59 PolarHBondContact O-N 2.94Å; I40-I59 HydrophobicContact CD1-CG2 3.77Å; I40-I59 HydrophobicContact CG1-CG2 4.16Å; I40-I59 HydrophobicContact CG2-CG2 4.25Å; F41-I59 HydrophobicContact CE2-CD1 4.46Å; F53-I59 HydrophobicContact CB-CG1 4.44Å; F53-I59 HydrophobicContact CD1-CD1 3.34Å; F53-I59 HydrophobicContact CD1-CG1 3.86Å; F53-I59 HydrophobicContact CD2-CD1 4.46Å; F53-I59 HydrophobicContact CD2-CG1 4.17Å; F53-I59 HydrophobicContact CE1-CD1 3.36Å; F53-I59 HydrophobicContact CE1-CG1 4.1Å; F53-I59 HydrophobicContact CE2-CD1 4.48Å; F53-I59 HydrophobicContact CE2-CG1 4.41Å; F53-I59 HydrophobicContact CG-CD1 3.92Å; F53-I59 HydrophobicContact CG-CG1 3.88Å; F53-I59 HydrophobicContact CZ-CD1 3.97Å; F53-I59 HydrophobicContact CZ-CG1 4.37Å; F53-I59 HydrophobicContact CZ-CG2 4.48Å; I59-V61 HydrophobicContact CG2-CG2 3.98Å
60A96.8Very high95.5Very high11 Ų1139.9 Ų39.99%0.09122%0.219CC..EExtended strand (participates in β ladder)trans-122.4112.816700000107.7L20 R21 F41L20-A60 CarbonylContact O-C 3.39Å; L20-A60 WeakPolarHBondContact O-CA 3.26Å; R21-A60 HydrophobicContact CG-CB 4.21Å; F41-A60 HydrophobicContact CE1-CB 3.91Å; F41-A60 HydrophobicContact CZ-CB 4.42Å
61V98.3Very high95.6Very high0 Ų033.9 Ų33.90%019%0.191CC..EExtended strand (participates in β ladder)trans-94.1106.6173.9-171.80000107.5I14 E19 L20 F22 V31 A38 I40 L45 I59 V69I14-V61 HydrophobicContact CD1-CB 4.25Å; I14-V61 HydrophobicContact CD1-CG1 4.2Å; E19-V61 CarbonylContact C-O 3.47Å; E19-V61 WeakPolarHBondContact CA-O 3.23Å; E19-V61 WeakPolarHBondContact CB-O 3.28Å; L20-V61 HydrophobicContact CB-CB 4.43Å; L20-V61 PolarHBondContact N-O 3.21Å; L20-V61 PolarHBondContact O-N 2.88Å; F22-V61 HydrophobicContact CE1-CG2 4.25Å; V31-V61 HydrophobicContact CG1-CG2 4.07Å; A38-V61 HydrophobicContact CB-CG1 3.95Å; I40-V61 HydrophobicContact CD1-CG2 4.05Å; I40-V61 HydrophobicContact CG1-CB 4.46Å; I40-V61 HydrophobicContact CG1-CG1 4.5Å; I40-V61 HydrophobicContact CG1-CG2 3.98Å; L45-V61 HydrophobicContact CD1-CG1 3.87Å; I59-V61 HydrophobicContact CG2-CG2 3.98Å; V61-V69 HydrophobicContact CG1-CG1 4.05Å
62F98.4Very high95.6Very high4 Ų438.6 Ų38.62%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-100.9147.4-175.3178.8-93.2000111.2Q18 E19 A38 E39 W64 T84 M86Q18-F62 WeakPolarHBondContact O-CD2 3.32Å; E19-F62 HydrophobicContact CB-CB 3.98Å; E19-F62 HydrophobicContact CB-CD2 3.99Å; E19-F62 HydrophobicContact CB-CG 4.48Å; A38-F62 CarbonylContact C-O 3.54Å; A38-F62 VanDerWaalsContact CA-O 3.32Å; A38-F62 WeakPolarHBondContact CA-O 3.38Å; E39-F62 HydrophobicContact CG-CB 4.36Å; E39-F62 HydrophobicContact CG-CD1 4.17Å; E39-F62 PolarHBondContact N-O 3.24Å; E39-F62 PolarHBondContact O-N 2.95Å; F62-W64 HydrophobicContact CE1-CB 4.48Å; F62-W64 AromaticContact CE1-CD1 3.84Å; F62-W64 AromaticContact CE1-CD2 3.43Å; F62-W64 HydrophobicContact CE1-CD2 3.43Å; F62-W64 VanDerWaalsContact CE1-CD2 3.43Å; F62-W64 AromaticContact CE1-CE2 3.42Å; F62-W64 VanDerWaalsContact CE1-CE2 3.42Å; F62-W64 AromaticContact CE1-CE3 3.84Å; F62-W64 HydrophobicContact CE1-CE3 3.84Å; F62-W64 AromaticContact CE1-CG 3.71Å; F62-W64 HydrophobicContact CE1-CG 3.71Å; F62-W64 HydrophobicContact CE1-CH2 4.2Å; F62-W64 AromaticContact CE1-CZ2 3.84Å; F62-W64 HydrophobicContact CE1-CZ2 3.84Å; F62-W64 HydrophobicContact CE1-CZ3 4.2Å; F62-W64 AromaticContact CE1-NE1 3.67Å; F62-W64 HydrophobicContact CZ-CD2 4.03Å; F62-W64 AromaticContact CZ-CE3 3.94Å; F62-W64 HydrophobicContact CZ-CE3 3.94Å; F62-W64 HydrophobicContact CZ-CH2 4.28Å; F62-W64 HydrophobicContact CZ-CZ2 4.37Å; F62-W64 HydrophobicContact CZ-CZ3 4.07Å; F62-T84 HydrophobicContact CD2-CG2 4.36Å; F62-T84 HydrophobicContact CE2-CG2 4.31Å; F62-M86 HydrophobicContact CD1-CE 4.02Å; F62-M86 HydrophobicContact CD1-CG 4.3Å; F62-M86 HydrophobicContact CD2-CB 4.23Å; F62-M86 HydrophobicContact CD2-CG 3.6Å; F62-M86 HydrophobicContact CE1-CB 4.17Å; F62-M86 HydrophobicContact CE1-CE 4.36Å; F62-M86 HydrophobicContact CE1-CG 4.3Å; F62-M86 HydrophobicContact CE2-CB 3.7Å; F62-M86 HydrophobicContact CE2-CG 3.6Å; F62-M86 HydrophobicContact CG-CE 4.27Å; F62-M86 HydrophobicContact CG-CG 3.97Å; F62-M86 HydrophobicContact CZ-CB 3.67Å; F62-M86 HydrophobicContact CZ-CG 3.97Å
63S98.5Very high95.5Very high0 Ų038.5 Ų38.50%021%0.213CC..EExtended strand (participates in β ladder)trans-134.8127.3173.7-172.60000112D17 Q18 L37 Y65 G66D17-S63 WeakPolarHBondContact CA-O 3.4Å; D17-S63 PolarHBondContact N-O 2.88Å; Q18-S63 PolarHBondContact O-N 2.88Å; L37-S63 WeakPolarHBondContact O-CB 3.39Å; L37-S63 PolarHBondContact O-OG 3.43Å; S63-Y65 PolarHBondContact OG-N 3.08Å; S63-G66 VanDerWaalsContact OG-CA 3.26Å; S63-G66 WeakPolarHBondContact OG-CA 3.37Å; S63-G66 PolarHBondContact OG-N 3.06Å; S63-G66 PolarHBondContact OG-O 3.28Å
64W97.7Very high95.4Very high55 Ų5541.3 Ų41.321%0.20823%0.23CC..SBendtrans-74.2-24.5173.5-69.9104.5000113.5E16 F62 M86 V87 V90E16-W64 VanDerWaalsContact CG-O 3.28Å; E16-W64 WeakPolarHBondContact CG-O 3.16Å; F62-W64 HydrophobicContact CE1-CB 4.48Å; F62-W64 AromaticContact CE1-CD1 3.84Å; F62-W64 AromaticContact CE1-CD2 3.43Å; F62-W64 HydrophobicContact CE1-CD2 3.43Å; F62-W64 VanDerWaalsContact CE1-CD2 3.43Å; F62-W64 AromaticContact CE1-CE2 3.42Å; F62-W64 VanDerWaalsContact CE1-CE2 3.42Å; F62-W64 AromaticContact CE1-CE3 3.84Å; F62-W64 HydrophobicContact CE1-CE3 3.84Å; F62-W64 AromaticContact CE1-CG 3.71Å; F62-W64 HydrophobicContact CE1-CG 3.71Å; F62-W64 HydrophobicContact CE1-CH2 4.2Å; F62-W64 AromaticContact CE1-CZ2 3.84Å; F62-W64 HydrophobicContact CE1-CZ2 3.84Å; F62-W64 HydrophobicContact CE1-CZ3 4.2Å; F62-W64 AromaticContact CE1-NE1 3.67Å; F62-W64 HydrophobicContact CZ-CD2 4.03Å; F62-W64 AromaticContact CZ-CE3 3.94Å; F62-W64 HydrophobicContact CZ-CE3 3.94Å; F62-W64 HydrophobicContact CZ-CH2 4.28Å; F62-W64 HydrophobicContact CZ-CZ2 4.37Å; F62-W64 HydrophobicContact CZ-CZ3 4.07Å; W64-M86 HydrophobicContact CH2-CB 4.06Å; W64-M86 HydrophobicContact CZ2-CB 4.4Å; W64-M86 HydrophobicContact CZ2-CE 4.36Å; W64-V87 HydrophobicContact CZ3-CG2 4.33Å; W64-V90 HydrophobicContact CH2-CB 3.74Å; W64-V90 HydrophobicContact CH2-CG1 3.46Å; W64-V90 VanDerWaalsContact CH2-CG1 3.46Å; W64-V90 HydrophobicContact CH2-CG2 4.35Å; W64-V90 HydrophobicContact CZ2-CB 3.89Å; W64-V90 HydrophobicContact CZ2-CG1 4.13Å; W64-V90 HydrophobicContact CZ2-CG2 4.21Å; W64-V90 HydrophobicContact CZ3-CG1 4.19Å
65Y97.6Very high95.5Very high178 Ų17841.1 Ų41.170%0.69823%0.225SC*.SBendtrans-131.74-170.4-56.1-64.7000113.5L37 S63L37-Y65 HydrophobicContact CD1-CD2 4.18Å; S63-Y65 PolarHBondContact OG-N 3.08Å
66G97.7Very high95.7Very high19 Ų1941.8 Ų41.820%0.19622%0.222CC..  trans88146.2-17100000113.4I14 S63I14-G66 CarbonylContact O-C 3.24Å; I14-G66 WeakPolarHBondContact O-CA 3.36Å; S63-G66 VanDerWaalsContact OG-CA 3.26Å; S63-G66 WeakPolarHBondContact OG-CA 3.37Å; S63-G66 PolarHBondContact OG-N 3.06Å; S63-G66 PolarHBondContact OG-O 3.28Å
67C98.4Very high96Very high6 Ų642 Ų424%0.04122%0.224CC..EExtended strand (participates in β ladder)trans-157.5168.8179.170.40000111.7I14 L33 E35 A38I14-C67 PolarHBondContact N-O 3.35Å; I14-C67 PolarHBondContact O-N 3.09Å; L33-C67 HydrophobicContact CD1-CB 3.92Å; E35-C67 CarbonylContact O-C 3.54Å; E35-C67 VanDerWaalsContact O-CA 3.25Å; E35-C67 WeakPolarHBondContact O-CA 3.29Å; E35-C67 WeakPolarHBondContact O-CB 3.26Å; A38-C67 HydrophobicContact CB-CB 4.31Å
68T98.6Very high96.2Very high21 Ų2142.5 Ų42.513%0.12923%0.226CC..EExtended strand (participates in β ladder)trans-118.9124.4169.7-570000108.5E11 Y12 I34 E35E11-T68 HydrophobicContact CB-CG2 4.36Å; Y12-T68 WeakPolarHBondContact O-CA 3.34Å; I34-T68 HydrophobicContact CB-CG2 4.31Å; I34-T68 WeakPolarHBondContact CB-O 3.25Å; I34-T68 PolarHBondContact N-O 2.65Å; E35-T68 PolarHBondContact N-O 3.38Å; E35-T68 PolarHBondContact O-N 3.3Å
69V98.2Very high96.4Very high0 Ų043.3 Ų43.30%023%0.23CC..EExtended strand (participates in β ladder)trans-121.8147.3177.4-57.90000110.7E11 Y12 I14 L20 T32 L33 V61E11-V69 CarbonylContact C-O 3.57Å; E11-V69 WeakPolarHBondContact CA-O 3.07Å; Y12-V69 PolarHBondContact N-O 2.81Å; Y12-V69 PolarHBondContact O-N 3.41Å; I14-V69 HydrophobicContact CD1-CG1 4.18Å; I14-V69 HydrophobicContact CD1-CG2 3.7Å; I14-V69 HydrophobicContact CG1-CG2 4.41Å; L20-V69 HydrophobicContact CD2-CG2 3.57Å; T32-V69 CarbonylContact O-C 3.5Å; T32-V69 VanDerWaalsContact O-CA 3.29Å; T32-V69 WeakPolarHBondContact O-CA 3.35Å; L33-V69 HydrophobicContact CD1-CG1 4.04Å; V61-V69 HydrophobicContact CG1-CG1 4.05Å
70K98.2Very high96.5Very high62 Ų6245.5 Ų45.527%0.2724%0.241SC..EExtended strand (participates in β ladder)trans-109.5125176.4-174.4172.3-180170.50109.9T8 V10 E11 V31 T32 I34T8-K70 WeakPolarHBondContact O-CE 3.44Å; T8-K70 PolarHBondContact O-NZ 3.5Å; V10-K70 WeakPolarHBondContact O-CA 3.38Å; E11-K70 HydrophobicContact CG-CB 4.14Å; E11-K70 HydrophobicContact CG-CD 4.37Å; E11-K70 HydrophobicContact CG-CG 4.17Å; V31-K70 CarbonylContact C-O 3.49Å; V31-K70 WeakPolarHBondContact CA-O 3.3Å; T32-K70 PolarHBondContact N-O 3.06Å; T32-K70 PolarHBondContact O-N 3.24Å; I34-K70 HydrophobicContact CD1-CB 3.92Å; I34-K70 HydrophobicContact CD1-CD 4.38Å; I34-K70 HydrophobicContact CG1-CB 3.87Å
71L97.7Very high96.5Very high7 Ų745.4 Ų45.44%0.03724%0.24CC..EExtended strand (participates in β ladder)trans-99.9129.9170.5-60-169.5000109.8G9 V10 Y12 L20 F22 T30 V31 V78G9-L71 CarbonylContact C-O 3.52Å; G9-L71 WeakPolarHBondContact CA-O 3.45Å; V10-L71 PolarHBondContact N-O 2.86Å; V10-L71 PolarHBondContact O-N 3.44Å; Y12-L71 HydrophobicContact CD2-CB 4.39Å; Y12-L71 HydrophobicContact CD2-CD1 4.09Å; Y12-L71 HydrophobicContact CD2-CG 3.88Å; Y12-L71 HydrophobicContact CE2-CB 4.01Å; Y12-L71 HydrophobicContact CE2-CD1 3.73Å; Y12-L71 HydrophobicContact CE2-CG 3.81Å; L20-L71 HydrophobicContact CD2-CD1 3.82Å; L20-L71 HydrophobicContact CD2-CD2 4.22Å; L20-L71 HydrophobicContact CD2-CG 4.02Å; F22-L71 HydrophobicContact CD1-CD1 3.99Å; F22-L71 HydrophobicContact CD1-CD2 4.37Å; F22-L71 HydrophobicContact CE1-CD1 4.35Å; F22-L71 HydrophobicContact CE1-CD2 3.9Å; F22-L71 HydrophobicContact CG-CD1 4.26Å; F22-L71 HydrophobicContact CZ-CD2 4.23Å; T30-L71 CarbonylContact O-C 3.53Å; T30-L71 WeakPolarHBondContact O-CA 3.41Å; V31-L71 HydrophobicContact CB-CD2 4.27Å; V31-L71 HydrophobicContact CG1-CD2 4.34Å; V31-L71 HydrophobicContact CG2-CD2 3.66Å; L71-V78 HydrophobicContact CD1-CG1 4.06Å
72K96.3Very high96.3Very high105 Ų10553.1 Ų53.146%0.45727%0.274SS..EExtended strand (participates in β ladder)trans-124.1133.5173.7-178.9-179.7173.4173.80109.8A7 V29 T30A7-K72 WeakPolarHBondContact O-CE 3.21Å; V29-K72 CarbonylContact C-O 3.55Å; V29-K72 WeakPolarHBondContact CA-O 3.46Å; T30-K72 PolarHBondContact N-O 2.69Å; T30-K72 PolarHBondContact O-N 3.47Å
73G94.1Very high96Very high25 Ų2562.2 Ų62.226%0.25831%0.313SS..SBendtrans102.9178.5-172.500000113.1E6 A75E6-G73 PolarHBondContact O-N 2.7Å; G73-A75 PolarHBondContact O-N 2.85Å
74T92.8Very high95.9Very high64 Ų6463.7 Ų63.739%0.39332%0.322SS..  trans-88.699.4-172.6-41.70000110.7E6 V29E6-T74 PolarHBondContact OE2-OG1 2.78Å; V29-T74 WeakPolarHBondContact CG2-O 3.47Å
75A93.9Very high95.8Very high27 Ų2761.4 Ų61.422%0.22332%0.315CS..  trans-103.1137.7177.300000110.9F22 E23 V29 G73 V78F22-A75 HydrophobicContact CB-CB 4.17Å; F22-A75 HydrophobicContact CD2-CB 4.04Å; F22-A75 HydrophobicContact CG-CB 4.36Å; E23-A75 WeakPolarHBondContact O-CA 3.32Å; V29-A75 HydrophobicContact CG1-CB 4.17Å; V29-A75 HydrophobicContact CG2-CB 3.89Å; G73-A75 PolarHBondContact O-N 2.85Å; A75-V78 HydrophobicContact CB-CG2 3.55Å
76E93.2Very high95.8Very high108 Ų10853.3 Ų53.351%0.50528%0.283SS..EExtended strand (participates in β ladder)trans-103.3157.1175.7-68.1-170.7-176.500110.9F22 E23 A25 V78F22-E76 WeakPolarHBondContact CA-O 3.36Å; E23-E76 PolarHBondContact N-O 3.4Å; E23-E76 PolarHBondContact O-N 2.82Å; A25-E76 HydrophobicContact CB-CB 4.48Å; A25-E76 HydrophobicContact CB-CG 3.84Å; A25-E76 VanDerWaalsContact CB-OE1 3.23Å; A25-E76 WeakPolarHBondContact CB-OE1 3.16Å; A25-E76 WeakPolarHBondContact CB-OE2 3.48Å; E76-V78 PolarHBondContact O-N 2.69Å
77G91.3Very high95.7Very high54 Ų5455.6 Ų55.656%0.55729%0.293SS*.EExtended strand (participates in β ladder)trans58.634176.300000113.9Y79G77-Y79 WeakPolarHBondContact O-CD1 3.17Å; G77-Y79 PolarHBondContact O-N 2.88Å
78V95.8Very high95.7Very high44 Ų4458.5 Ų58.527%0.26731%0.308SS..EExtended strand (participates in β ladder)trans-75.9115.4-176-169.20000111Y12 L20 R21 F22 L71 A75 E76Y12-V78 HydrophobicContact CE1-CG1 3.76Å; Y12-V78 HydrophobicContact CE2-CG1 4.3Å; L20-V78 HydrophobicContact CD1-CG1 3.77Å; R21-V78 VanDerWaalsContact O-CA 3.28Å; R21-V78 WeakPolarHBondContact O-CA 3.36Å; F22-V78 HydrophobicContact CB-CB 4.44Å; F22-V78 HydrophobicContact CB-CG2 3.86Å; L71-V78 HydrophobicContact CD1-CG1 4.06Å; A75-V78 HydrophobicContact CB-CG2 3.55Å; E76-V78 PolarHBondContact O-N 2.69Å
79Y96Very high95.6Very high106 Ų10657.9 Ų57.942%0.41630%0.303SS..EExtended strand (participates in β ladder)trans-154.6159.3173.468.7-84.1000112.7R21 G77 A81R21-Y79 HydrophobicContact CB-CD1 4.46Å; R21-Y79 HydrophobicContact CB-CE1 4.02Å; R21-Y79 WeakPolarHBondContact CD-OH 3.32Å; R21-Y79 PolarHBondContact N-O 2.88Å; R21-Y79 PolarHBondContact NH1-OH 2.91Å; R21-Y79 PolarHBondContact O-N 3.16Å; R21-Y79 VanDerWaalsContact O-N 3.09Å; G77-Y79 WeakPolarHBondContact O-CD1 3.17Å; G77-Y79 PolarHBondContact O-N 2.88Å; Y79-A81 HydrophobicContact CD2-CB 4.42Å; Y79-A81 HydrophobicContact CE2-CB 3.95Å
80I97.8Very high95.6Very high60 Ų6059.3 Ų59.331%0.30831%0.312SS..EExtended strand (participates in β ladder)trans-95.1115.5174.2-61.3172.9000109.2K13 Q18 E19 L20K13-I80 WeakPolarHBondContact O-CD1 2.83Å; Q18-I80 HydrophobicContact CB-CG2 3.92Å; Q18-I80 HydrophobicContact CG-CG2 4.44Å; E19-I80 CarbonylContact O-C 3.58Å; E19-I80 WeakPolarHBondContact O-CA 3.44Å; L20-I80 HydrophobicContact CD1-CG1 3.94Å
81A96.4Very high95.6Very high8 Ų860.3 Ų60.37%0.06632%0.32CS..EExtended strand (participates in β ladder)trans-85.1123.7174.200000110.5Q18 E19 R21 Y79Q18-A81 WeakPolarHBondContact CA-O 3.05Å; E19-A81 HydrophobicContact CG-CB 3.91Å; E19-A81 PolarHBondContact N-O 2.72Å; E19-A81 VanDerWaalsContact N-O 3.14Å; E19-A81 PolarHBondContact O-N 2.92Å; R21-A81 VanDerWaalsContact CZ-CB 3.48Å; Y79-A81 HydrophobicContact CD2-CB 4.42Å; Y79-A81 HydrophobicContact CE2-CB 3.95Å
82K94.9Very high95.6Very high162 Ų16261.2 Ų61.270%0.70433%0.326SS*.SBendtrans-91.7-13.7177.5-59.9-175.7-179.9-179.30114.7Q18Q18-K82 HydrophobicContact CG-CG 4.42Å
83K92.1Very high95.7Very high195 Ų19556.7 Ų56.785%0.84831%0.306SS*.  trans-119.7115.2178.2-70.3-176.2178.4-176.20107.8
84T94.7Very high96Very high31 Ų3161 Ų6119%0.1932%0.32CS..  trans-132.2154.1-179.475.60000109.1E19 F62 M86E19-T84 HydrophobicContact CG-CG2 3.63Å; F62-T84 HydrophobicContact CD2-CG2 4.36Å; F62-T84 HydrophobicContact CE2-CG2 4.31Å; T84-M86 PolarHBondContact O-N 2.91Å; T84-M86 PolarHBondContact OG1-N 3.48Å
85P95.9Very high96.2Very high8 Ų860.7 Ų60.75%0.05232%0.324CS..SBendtrans-80.46.6173.335.7-38.2000112.7V87 I88 Y89 P276P85-V87 VanDerWaalsContact C-N 3.31Å; P85-V87 PolarHBondContact O-N 2.98Å; P85-I88 WeakPolarHBondContact O-CA 3.37Å; P85-I88 WeakPolarHBondContact O-CB 3.47Å; P85-I88 PolarHBondContact O-N 3.2Å; P85-Y89 HydrophobicContact CB-CD1 4.27Å; P85-Y89 HydrophobicContact CB-CD2 4.47Å; P85-Y89 HydrophobicContact CB-CE1 3.77Å; P85-Y89 HydrophobicContact CB-CE2 4.02Å; P85-Y89 HydrophobicContact CG-CD2 4.13Å; P85-Y89 HydrophobicContact CG-CE1 4.12Å; P85-Y89 HydrophobicContact CG-CE2 3.46Å; P85-Y89 VanDerWaalsContact CG-CE2 3.46Å; P85-Y89 VanDerWaalsContact CG-CZ 3.43Å; P85-Y89 WeakPolarHBondContact CG-OH 3.46Å; P85-Y89 PolarHBondContact O-N 3.4Å; P85-P276 HydrophobicContact CB-CG 4.1Å
86M97.1Very high96.5Very high7 Ų759.6 Ų59.63%0.03431%0.314CS..Hα-helixtrans-61.1-36.5-168.9-70-59.9-67.600113.3E39 F62 W64 T84 I88 Y89 V90 I129 Y133E39-M86 WeakPolarHBondContact OE1-CE 3.12Å; F62-M86 HydrophobicContact CD1-CE 4.02Å; F62-M86 HydrophobicContact CD1-CG 4.3Å; F62-M86 HydrophobicContact CD2-CB 4.23Å; F62-M86 HydrophobicContact CD2-CG 3.6Å; F62-M86 HydrophobicContact CE1-CB 4.17Å; F62-M86 HydrophobicContact CE1-CE 4.36Å; F62-M86 HydrophobicContact CE1-CG 4.3Å; F62-M86 HydrophobicContact CE2-CB 3.7Å; F62-M86 HydrophobicContact CE2-CG 3.6Å; F62-M86 HydrophobicContact CG-CE 4.27Å; F62-M86 HydrophobicContact CG-CG 3.97Å; F62-M86 HydrophobicContact CZ-CB 3.67Å; F62-M86 HydrophobicContact CZ-CG 3.97Å; W64-M86 HydrophobicContact CH2-CB 4.06Å; W64-M86 HydrophobicContact CZ2-CB 4.4Å; W64-M86 HydrophobicContact CZ2-CE 4.36Å; T84-M86 PolarHBondContact O-N 2.91Å; T84-M86 PolarHBondContact OG1-N 3.48Å; M86-I88 VanDerWaalsContact C-N 3.29Å; M86-I88 PolarHBondContact O-N 3.19Å; M86-Y89 PolarHBondContact O-N 3.14Å; M86-Y89 HydrophobicContact SD-CD2 4.03Å; M86-V90 PolarHBondContact O-N 3.14Å; M86-I129 HydrophobicContact SD-CD1 4.11Å; M86-Y133 WeakPolarHBondContact CE-OH 3.45Å
87V96.8Very high96.7Very high67 Ų6755.5 Ų55.541%0.40630%0.295SS..Hα-helixtrans-60.8-39.2174.2176.80000111.4W64 P85 V90 N91W64-V87 HydrophobicContact CZ3-CG2 4.33Å; P85-V87 VanDerWaalsContact C-N 3.31Å; P85-V87 PolarHBondContact O-N 2.98Å; V87-V90 VanDerWaalsContact O-CG1 3.32Å; V87-V90 WeakPolarHBondContact O-CG1 2.88Å; V87-N91 WeakPolarHBondContact O-CB 3.38Å; V87-N91 PolarHBondContact O-N 2.97Å; V87-N91 VanDerWaalsContact O-N 3.14Å; V87-N91 PolarHBondContact O-ND2 3.3Å; V87-N91 VanDerWaalsContact O-ND2 3.14Å
88I97.5Very high97Very high67 Ų6760.5 Ų60.534%0.34430%0.298SS..Hα-helixtrans-68.3-46.2175.9-62.6168.5000109.1P85 M86 V90 N91 T92 E275 P276P85-I88 WeakPolarHBondContact O-CA 3.37Å; P85-I88 WeakPolarHBondContact O-CB 3.47Å; P85-I88 PolarHBondContact O-N 3.2Å; M86-I88 VanDerWaalsContact C-N 3.29Å; M86-I88 PolarHBondContact O-N 3.19Å; I88-V90 PolarHBondContact O-N 3.39Å; I88-N91 PolarHBondContact O-N 2.9Å; I88-T92 PolarHBondContact O-N 3.19Å; I88-T92 PolarHBondContact O-OG1 2.95Å; I88-E275 HydrophobicContact CG2-CB 4.45Å; I88-E275 HydrophobicContact CG2-CG 3.93Å; I88-P276 HydrophobicContact CD1-CG 3.45Å; I88-P276 VanDerWaalsContact CD1-CG 3.45Å
89Y97.8Very high97.2Very high8 Ų861.4 Ų61.43%0.03130%0.3CS..Hα-helixtrans-61.9-40.3-178.6-65.8-7000113.1P85 M86 H93 Y126 I129 E275 P276P85-Y89 HydrophobicContact CB-CD1 4.27Å; P85-Y89 HydrophobicContact CB-CD2 4.47Å; P85-Y89 HydrophobicContact CB-CE1 3.77Å; P85-Y89 HydrophobicContact CB-CE2 4.02Å; P85-Y89 HydrophobicContact CG-CD2 4.13Å; P85-Y89 HydrophobicContact CG-CE1 4.12Å; P85-Y89 HydrophobicContact CG-CE2 3.46Å; P85-Y89 VanDerWaalsContact CG-CE2 3.46Å; P85-Y89 VanDerWaalsContact CG-CZ 3.43Å; P85-Y89 WeakPolarHBondContact CG-OH 3.46Å; P85-Y89 PolarHBondContact O-N 3.4Å; M86-Y89 PolarHBondContact O-N 3.14Å; M86-Y89 HydrophobicContact SD-CD2 4.03Å; Y89-H93 WeakPolarHBondContact O-CB 3.38Å; Y89-H93 PolarHBondContact O-N 2.85Å; Y89-Y126 HydrophobicContact CD1-CD1 4.38Å; Y89-Y126 AromaticContact CD1-CD2 4Å; Y89-Y126 HydrophobicContact CD1-CD2 4Å; Y89-Y126 AromaticContact CD1-CE1 3.85Å; Y89-Y126 HydrophobicContact CD1-CE1 3.85Å; Y89-Y126 AromaticContact CD1-CE2 3.44Å; Y89-Y126 HydrophobicContact CD1-CE2 3.44Å; Y89-Y126 VanDerWaalsContact CD1-CE2 3.44Å; Y89-Y126 HydrophobicContact CD1-CG 4.46Å; Y89-Y126 AromaticContact CD1-CZ 3.36Å; Y89-Y126 AromaticContact CD2-CD2 3.83Å; Y89-Y126 HydrophobicContact CD2-CD2 3.83Å; Y89-Y126 AromaticContact CD2-CE2 3.9Å; Y89-Y126 HydrophobicContact CD2-CE2 3.9Å; Y89-Y126 HydrophobicContact CE1-CD1 4.1Å; Y89-Y126 HydrophobicContact CE1-CD2 4.27Å; Y89-Y126 AromaticContact CE1-CE1 3.86Å; Y89-Y126 HydrophobicContact CE1-CE1 3.86Å; Y89-Y126 HydrophobicContact CE1-CE2 4.09Å; Y89-Y126 HydrophobicContact CE1-CG 4.31Å; Y89-Y126 AromaticContact CE1-CZ 3.88Å; Y89-Y126 HydrophobicContact CE2-CD2 4.09Å; Y89-Y126 HydrophobicContact CE2-CE2 4.46Å; Y89-Y126 HydrophobicContact CE2-CG 4.34Å; Y89-Y126 AromaticContact CG-CD2 3.79Å; Y89-Y126 HydrophobicContact CG-CD2 3.79Å; Y89-Y126 AromaticContact CG-CE2 3.36Å; Y89-Y126 HydrophobicContact CG-CE2 3.36Å; Y89-Y126 AromaticContact CG-CZ 3.81Å; Y89-I129 HydrophobicContact CD2-CD1 3.96Å; Y89-I129 HydrophobicContact CE2-CD1 4.32Å; Y89-E275 WeakPolarHBondContact CD1-OE2 3.45Å; Y89-P276 PolarHBondContact OH-O 2.89Å
90V97.8Very high97.3Very high31 Ų3156.4 Ų56.419%0.18828%0.281CS..Hα-helixtrans-70.2-38.1175.974.70000111.7W64 M86 V87 I88 H93 Q94 Y133W64-V90 HydrophobicContact CH2-CB 3.74Å; W64-V90 HydrophobicContact CH2-CG1 3.46Å; W64-V90 VanDerWaalsContact CH2-CG1 3.46Å; W64-V90 HydrophobicContact CH2-CG2 4.35Å; W64-V90 HydrophobicContact CZ2-CB 3.89Å; W64-V90 HydrophobicContact CZ2-CG1 4.13Å; W64-V90 HydrophobicContact CZ2-CG2 4.21Å; W64-V90 HydrophobicContact CZ3-CG1 4.19Å; M86-V90 PolarHBondContact O-N 3.14Å; V87-V90 VanDerWaalsContact O-CG1 3.32Å; V87-V90 WeakPolarHBondContact O-CG1 2.88Å; I88-V90 PolarHBondContact O-N 3.39Å; V90-H93 WeakPolarHBondContact O-CB 3.32Å; V90-H93 PolarHBondContact O-N 3.21Å; V90-Q94 WeakPolarHBondContact O-CG 3.44Å; V90-Q94 PolarHBondContact O-N 2.81Å; V90-Y133 HydrophobicContact CB-CE2 4.37Å; V90-Y133 HydrophobicContact CG2-CE2 4.42Å
91N98.2Very high97.3Very high83 Ų8355 Ų5544%0.44428%0.276SS..Hα-helixtrans-64.8-42.3176.1-72-17.4000111.4V87 I88 H93 Q94 A95V87-N91 WeakPolarHBondContact O-CB 3.38Å; V87-N91 PolarHBondContact O-N 2.97Å; V87-N91 VanDerWaalsContact O-N 3.14Å; V87-N91 PolarHBondContact O-ND2 3.3Å; V87-N91 VanDerWaalsContact O-ND2 3.14Å; I88-N91 PolarHBondContact O-N 2.9Å; N91-H93 VanDerWaalsContact C-N 3.33Å; N91-H93 PolarHBondContact O-N 3.07Å; N91-Q94 WeakPolarHBondContact O-CB 3.46Å; N91-Q94 PolarHBondContact O-N 3.26Å; N91-A95 PolarHBondContact O-N 3.04Å
92T98.4Very high97.4Very high25 Ų2558.9 Ų58.915%0.15329%0.293CS..Hα-helixtrans-61.7-42.8173-620000110.7I88 Q94 A95 L96 Y126 I251 E275I88-T92 PolarHBondContact O-N 3.19Å; I88-T92 PolarHBondContact O-OG1 2.95Å; T92-Q94 PolarHBondContact O-N 3.46Å; T92-A95 PolarHBondContact O-N 2.6Å; T92-L96 WeakPolarHBondContact O-CG 3.46Å; T92-L96 PolarHBondContact O-N 2.87Å; T92-Y126 VanDerWaalsContact CB-OH 3.3Å; T92-Y126 WeakPolarHBondContact CB-OH 3.41Å; T92-Y126 WeakPolarHBondContact CG2-OH 3.47Å; T92-I251 HydrophobicContact CG2-CD1 3.75Å; T92-E275 WeakPolarHBondContact CB-OE1 3.42Å; T92-E275 WeakPolarHBondContact CG2-OE1 3.33Å; T92-E275 PolarHBondContact OG1-OE1 3.23Å
93H98.5Very high97.5Very high10 Ų1051.3 Ų51.35%0.04626%0.26CS..Hα-helixtrans-59.3-43.8174177.569000112.6Y89 V90 N91 A95 L96 E97 L130 Y133 A134Y89-H93 WeakPolarHBondContact O-CB 3.38Å; Y89-H93 PolarHBondContact O-N 2.85Å; V90-H93 WeakPolarHBondContact O-CB 3.32Å; V90-H93 PolarHBondContact O-N 3.21Å; N91-H93 VanDerWaalsContact C-N 3.33Å; N91-H93 PolarHBondContact O-N 3.07Å; H93-A95 VanDerWaalsContact C-N 3.31Å; H93-A95 PolarHBondContact O-N 2.77Å; H93-L96 WeakPolarHBondContact O-CB 3.44Å; H93-L96 PolarHBondContact O-N 2.62Å; H93-E97 WeakPolarHBondContact O-CB 3.41Å; H93-E97 PolarHBondContact O-N 2.67Å; H93-L130 HydrophobicContact CB-CD2 3.99Å; H93-Y133 HydrophobicContact CB-CD2 3.9Å; H93-Y133 VanDerWaalsContact CE1-CB 3.44Å; H93-Y133 WeakPolarHBondContact CE1-CB 3.3Å; H93-Y133 AromaticContact CG-CD2 3.82Å; H93-Y133 WeakPolarHBondContact ND1-CB 3.39Å; H93-Y133 WeakPolarHBondContact NE2-CB 3.45Å; H93-A134 PolarHBondContact CE1-N 3.27Å
94Q98.4Very high97.7Very high115 Ų11547.7 Ų47.754%0.53725%0.246SC..Hα-helixtrans-61.2-38176.4-73.1176.5-3.300112.4V90 N91 T92 E97 Y98V90-Q94 WeakPolarHBondContact O-CG 3.44Å; V90-Q94 PolarHBondContact O-N 2.81Å; N91-Q94 WeakPolarHBondContact O-CB 3.46Å; N91-Q94 PolarHBondContact O-N 3.26Å; T92-Q94 PolarHBondContact O-N 3.46Å; Q94-E97 WeakPolarHBondContact O-CB 3.45Å; Q94-E97 PolarHBondContact O-N 2.94Å; Q94-Y98 PolarHBondContact O-N 3.25Å
95A98.4Very high97.9Very high58 Ų5854.9 Ų54.948%0.47927%0.27SS..Hα-helixtrans-64.7-42.5174.600000111.8N91 T92 H93 E97 Y98 M99N91-A95 PolarHBondContact O-N 3.04Å; T92-A95 PolarHBondContact O-N 2.6Å; H93-A95 VanDerWaalsContact C-N 3.31Å; H93-A95 PolarHBondContact O-N 2.77Å; A95-E97 VanDerWaalsContact C-N 3.28Å; A95-E97 PolarHBondContact O-N 3.24Å; A95-Y98 WeakPolarHBondContact O-CB 3.02Å; A95-Y98 PolarHBondContact O-N 3.03Å; A95-M99 PolarHBondContact O-N 2.78Å
96L98.6Very high97.9Very high4 Ų460.6 Ų60.62%0.02130%0.296CS..Hα-helixtrans-64-36.2173.4-63173.3000111.4T92 H93 M99 R100 P111 V113 L130 V249T92-L96 WeakPolarHBondContact O-CG 3.46Å; T92-L96 PolarHBondContact O-N 2.87Å; H93-L96 WeakPolarHBondContact O-CB 3.44Å; H93-L96 PolarHBondContact O-N 2.62Å; L96-M99 HydrophobicContact CD2-SD 4.28Å; L96-M99 WeakPolarHBondContact O-CB 3.44Å; L96-M99 PolarHBondContact O-N 2.96Å; L96-M99 VanDerWaalsContact O-N 3.12Å; L96-R100 WeakPolarHBondContact O-CG 3.48Å; L96-R100 PolarHBondContact O-N 3.31Å; L96-P111 HydrophobicContact CB-CG 4.28Å; L96-P111 HydrophobicContact CD2-CB 3.85Å; L96-P111 HydrophobicContact CD2-CG 4.23Å; L96-V113 HydrophobicContact CD1-CB 4.46Å; L96-V113 HydrophobicContact CD1-CG1 4.03Å; L96-V113 HydrophobicContact CD2-CB 4.14Å; L96-V113 HydrophobicContact CD2-CG1 4.45Å; L96-V113 HydrophobicContact CD2-CG2 4.48Å; L96-L130 HydrophobicContact CD1-CD1 4.3Å; L96-L130 HydrophobicContact CD1-CD2 4.19Å; L96-V249 HydrophobicContact CD2-CG2 4.31Å
97E98.4Very high97.7Very high23 Ų2363.4 Ų63.411%0.10733%0.326CS..Hα-helixtrans-65.9-38.2177.6-172.748.7-139.200112.5H93 Q94 A95 M99 R100 S101 M137 H139H93-E97 WeakPolarHBondContact O-CB 3.41Å; H93-E97 PolarHBondContact O-N 2.67Å; Q94-E97 WeakPolarHBondContact O-CB 3.45Å; Q94-E97 PolarHBondContact O-N 2.94Å; A95-E97 VanDerWaalsContact C-N 3.28Å; A95-E97 PolarHBondContact O-N 3.24Å; E97-M99 VanDerWaalsContact C-N 3.29Å; E97-M99 PolarHBondContact O-N 3.28Å; E97-R100 PolarHBondContact O-N 2.61Å; E97-R100 IonicContact OE2-CZ 3.37Å; E97-R100 IonicContact OE2-NH1 2.73Å; E97-R100 PolarHBondContact OE2-NH1 2.9Å; E97-S101 WeakPolarHBondContact O-CB 3.33Å; E97-S101 PolarHBondContact O-N 3.05Å; E97-S101 PolarHBondContact O-OG 2.93Å; E97-M137 HydrophobicContact CG-CE 4.42Å; E97-H139 VanDerWaalsContact CD-CD2 3.48Å; E97-H139 IonicContact OE1-CD2 2.88Å; E97-H139 PolarHBondContact OE1-CD2 3.48Å; E97-H139 IonicContact OE1-CE1 3.68Å; E97-H139 IonicContact OE1-NE2 3.57Å; E97-H139 PolarHBondContact OE1-NE2 2.78Å; E97-H139 IonicContact OE2-CD2 3.26Å; E97-H139 PolarHBondContact OE2-CD2 3.12Å; E97-H139 IonicContact OE2-NE2 3.14Å; E97-H139 PolarHBondContact OE2-NE2 2.93Å
98Y98.2Very high97.6Very high159 Ų15962.4 Ų62.462%0.62432%0.323SS*.Hα-helixtrans-58.8-41.4169.2178-93.6000111.9Q94 A95 S101 H102Q94-Y98 PolarHBondContact O-N 3.25Å; A95-Y98 WeakPolarHBondContact O-CB 3.02Å; A95-Y98 PolarHBondContact O-N 3.03Å; Y98-S101 PolarHBondContact O-N 3.05Å; Y98-H102 WeakPolarHBondContact O-CB 3.4Å; Y98-H102 PolarHBondContact O-N 2.68Å
99M98.4Very high97.5Very high62 Ų6263 Ų6331%0.30532%0.32SS..Hα-helixtrans-64.5-39.4175.9-62.5174.871.900112A95 L96 E97 H102 A103 P111 D248 V249A95-M99 PolarHBondContact O-N 2.78Å; L96-M99 HydrophobicContact CD2-SD 4.28Å; L96-M99 WeakPolarHBondContact O-CB 3.44Å; L96-M99 PolarHBondContact O-N 2.96Å; L96-M99 VanDerWaalsContact O-N 3.12Å; E97-M99 VanDerWaalsContact C-N 3.29Å; E97-M99 PolarHBondContact O-N 3.28Å; M99-H102 PolarHBondContact O-N 2.84Å; M99-A103 WeakPolarHBondContact O-CB 3.31Å; M99-A103 PolarHBondContact O-N 3.39Å; M99-P111 HydrophobicContact CB-CB 4.01Å; M99-P111 HydrophobicContact CB-CG 4.08Å; M99-P111 HydrophobicContact CE-CB 3.76Å; M99-P111 HydrophobicContact SD-CB 3.84Å; M99-D248 HydrophobicContact CE-CB 3.92Å; M99-V249 HydrophobicContact CE-CG2 4.32Å; M99-V249 HydrophobicContact SD-CG2 4.12Å
100R98.5Very high97.6Very high2 Ų262.8 Ų62.81%0.00832%0.32CS..Hα-helixtrans-64.1-47.6174.6-63.6-172-166.589.711.5112L96 E97 H102 A103 E104 P111 I219 G220L96-R100 WeakPolarHBondContact O-CG 3.48Å; L96-R100 PolarHBondContact O-N 3.31Å; E97-R100 PolarHBondContact O-N 2.61Å; E97-R100 IonicContact OE2-CZ 3.37Å; E97-R100 IonicContact OE2-NH1 2.73Å; E97-R100 PolarHBondContact OE2-NH1 2.9Å; R100-H102 VanDerWaalsContact C-N 3.28Å; R100-H102 PolarHBondContact O-N 3.37Å; R100-A103 WeakPolarHBondContact O-CB 3.44Å; R100-A103 PolarHBondContact O-N 3.4Å; R100-A103 VanDerWaalsContact O-N 3.12Å; R100-E104 PolarHBondContact O-N 3.18Å; R100-P111 HydrophobicContact CG-CG 3.99Å; R100-I219 HydrophobicContact CB-CG2 4.41Å; R100-I219 WeakPolarHBondContact CG-O 3.39Å; R100-G220 PolarHBondContact NE-O 3.35Å; R100-G220 VanDerWaalsContact NE-O 3.1Å
101S98Very high97.6Very high30 Ų3061.3 Ų61.321%0.2131%0.312CS..Hα-helixtrans-58.7-39.6175.7-72.80000112.2E97 Y98 R105E97-S101 WeakPolarHBondContact O-CB 3.33Å; E97-S101 PolarHBondContact O-N 3.05Å; E97-S101 PolarHBondContact O-OG 2.93Å; Y98-S101 PolarHBondContact O-N 3.05Å; S101-R105 VanDerWaalsContact O-CG 3.28Å; S101-R105 WeakPolarHBondContact O-CG 3.4Å; S101-R105 PolarHBondContact O-N 2.9Å
102H97.9Very high97.6Very high90 Ų9058 Ų5842%0.41729%0.293SS..Hα-helixtrans-66.4-44.6174.4-176.383.6000111.6Y98 M99 R100 E104 R105 Q106Y98-H102 WeakPolarHBondContact O-CB 3.4Å; Y98-H102 PolarHBondContact O-N 2.68Å; M99-H102 PolarHBondContact O-N 2.84Å; R100-H102 VanDerWaalsContact C-N 3.28Å; R100-H102 PolarHBondContact O-N 3.37Å; H102-E104 PolarHBondContact O-N 2.73Å; H102-R105 PolarHBondContact O-N 3.48Å; H102-Q106 WeakPolarHBondContact O-CG 3.39Å; H102-Q106 PolarHBondContact O-N 2.79Å
103A97.7Very high97.7Very high2 Ų256.8 Ų56.82%0.01729%0.286CS..Hα-helixtrans-58.9-45.3177.900000112.2M99 R100 Q106 G107 S108 R109M99-A103 WeakPolarHBondContact O-CB 3.31Å; M99-A103 PolarHBondContact O-N 3.39Å; R100-A103 WeakPolarHBondContact O-CB 3.44Å; R100-A103 PolarHBondContact O-N 3.4Å; R100-A103 VanDerWaalsContact O-N 3.12Å; A103-Q106 PolarHBondContact O-N 2.93Å; A103-G107 WeakPolarHBondContact O-CA 3.4Å; A103-G107 PolarHBondContact O-N 3.44Å; A103-S108 WeakPolarHBondContact CA-OG 3.19Å; A103-S108 PolarHBondContact O-N 2.61Å; A103-R109 VanDerWaalsContact CB-O 3.28Å; A103-R109 WeakPolarHBondContact CB-O 3.37Å
104E97.1Very high97.7Very high119 Ų11956.3 Ų56.356%0.55628%0.284SS*.Hα-helixtrans-59.4-47176.3-175.1173-144.800112R100 H102 Q106 G107 I219R100-E104 PolarHBondContact O-N 3.18Å; H102-E104 PolarHBondContact O-N 2.73Å; E104-Q106 VanDerWaalsContact C-N 3.33Å; E104-Q106 PolarHBondContact O-N 3.24Å; E104-G107 PolarHBondContact O-N 3.02Å; E104-I219 HydrophobicContact CB-CD1 4.12Å; E104-I219 HydrophobicContact CB-CG2 4.05Å; E104-I219 HydrophobicContact CG-CD1 4.14Å
105R97.4Very high97.7Very high182 Ų18250.9 Ų50.969%0.68726%0.258SS*.Hα-helixtrans-65.1-34179.2-69.1173.3-156170.36.9113.4S101 H102S101-R105 VanDerWaalsContact O-CG 3.28Å; S101-R105 WeakPolarHBondContact O-CG 3.4Å; S101-R105 PolarHBondContact O-N 2.9Å; H102-R105 PolarHBondContact O-N 3.48Å
106Q95.9Very high97.7Very high129 Ų12948.1 Ų48.160%0.60324%0.235SC*.Hα-helixtrans-94.7-4.2-177.5-61.6-56.3-56.500113.2H102 A103 E104 S108H102-Q106 WeakPolarHBondContact O-CG 3.39Å; H102-Q106 PolarHBondContact O-N 2.79Å; A103-Q106 PolarHBondContact O-N 2.93Å; E104-Q106 VanDerWaalsContact C-N 3.33Å; E104-Q106 PolarHBondContact O-N 3.24Å; Q106-S108 PolarHBondContact O-N 3.49Å
107G93.1Very high97.6Very high65 Ų6547.9 Ų47.967%0.6723%0.234SC*.THydrogen-bonded Turntrans60.430.4-171.400000113.2A103 E104A103-G107 WeakPolarHBondContact O-CA 3.4Å; A103-G107 PolarHBondContact O-N 3.44Å; E104-G107 PolarHBondContact O-N 3.02Å
108S95.8Very high97.5Very high47 Ų4748.4 Ų48.433%0.32924%0.24SC..  trans-105.5-177.7-178.466.10000111.5A103 Q106 N218A103-S108 WeakPolarHBondContact CA-OG 3.19Å; A103-S108 PolarHBondContact O-N 2.61Å; Q106-S108 PolarHBondContact O-N 3.49Å; S108-N218 PolarHBondContact O-ND2 3.17Å
109R96.1Very high97.3Very high79 Ų7943.7 Ų43.730%0.29823%0.228SC..  trans-77.9146.3177.775.6-179.9-166.5-172.56.1111.2A103 N218 E246 D248A103-R109 VanDerWaalsContact CB-O 3.28Å; A103-R109 WeakPolarHBondContact CB-O 3.37Å; R109-N218 WeakPolarHBondContact CB-OD1 3.23Å; R109-E246 IonicContact CZ-OE2 3.3Å; R109-E246 IonicContact NH1-OE2 3.17Å; R109-E246 PolarHBondContact NH1-OE2 2.93Å; R109-E246 PolarHBondContact NH2-O 3.17Å; R109-D248 IonicContact CZ-OD1 3.95Å; R109-D248 IonicContact NE-OD1 3.75Å; R109-D248 IonicContact NH2-OD1 3.96Å; R109-D248 PolarHBondContact NH2-OD1 3.26Å
110G98.3Very high96.9Very high3 Ų341.7 Ų41.73%0.03122%0.219CC..  trans-75.4179.3170.400000113.6R112 N218 I219G110-R112 PolarHBondContact O-N 2.86Å; G110-N218 PolarHBondContact N-O 3.21Å; G110-I219 VanDerWaalsContact CA-O 3.26Å; G110-I219 WeakPolarHBondContact CA-O 3.23Å
111P98.5Very high96.7Very high1 Ų141.8 Ų41.81%0.00622%0.219CC..  trans-68.4131.4-174.529-34.7000111.9L96 M99 R100 G221 F222L96-P111 HydrophobicContact CB-CG 4.28Å; L96-P111 HydrophobicContact CD2-CB 3.85Å; L96-P111 HydrophobicContact CD2-CG 4.23Å; M99-P111 HydrophobicContact CB-CB 4.01Å; M99-P111 HydrophobicContact CB-CG 4.08Å; M99-P111 HydrophobicContact CE-CB 3.76Å; M99-P111 HydrophobicContact SD-CB 3.84Å; R100-P111 HydrophobicContact CG-CG 3.99Å; P111-G221 CarbonylContact O-C 3.6Å; P111-G221 WeakPolarHBondContact O-CA 3.14Å; P111-F222 PolarHBondContact O-N 2.99Å
112R98.8Very high96.5Very high13 Ų1341.1 Ų41.15%0.04922%0.218CC..EExtended strand (participates in β ladder)trans-100101.9166.6-58.6-174.3-179.1177.30.7108.1G110 F222 F245 E246 V247 D248 V249G110-R112 PolarHBondContact O-N 2.86Å; R112-F222 HydrophobicContact CB-CB 4.3Å; R112-F222 HydrophobicContact CB-CD2 4.35Å; R112-F222 HydrophobicContact CG-CB 4.25Å; R112-F222 HydrophobicContact CG-CD2 3.78Å; R112-F222 HydrophobicContact CG-CE2 4.35Å; R112-F222 HydrophobicContact CG-CG 4.09Å; R112-F245 WeakPolarHBondContact CD-O 3.45Å; R112-F245 PolarHBondContact NH1-O 3.45Å; R112-E246 IonicContact NH1-OE1 2.71Å; R112-E246 IonicContact NH1-OE2 3.51Å; R112-V247 WeakPolarHBondContact O-CG1 3.42Å; R112-D248 PolarHBondContact N-OD2 2.89Å; R112-D248 PolarHBondContact O-N 3.38Å; R112-V249 PolarHBondContact O-N 3.29Å
113V98.8Very high96.5Very high0 Ų037.4 Ų37.40%020%0.2CC..EExtended strand (participates in β ladder)trans-103.8130.4-178.562.50000111L96 I115 F222 V223 I224 V249 I251L96-V113 HydrophobicContact CD1-CB 4.46Å; L96-V113 HydrophobicContact CD1-CG1 4.03Å; L96-V113 HydrophobicContact CD2-CB 4.14Å; L96-V113 HydrophobicContact CD2-CG1 4.45Å; L96-V113 HydrophobicContact CD2-CG2 4.48Å; V113-I115 HydrophobicContact CG1-CD1 4.33Å; V113-I115 HydrophobicContact CG2-CD1 4.22Å; V113-F222 VanDerWaalsContact CG1-O 3.28Å; V113-F222 WeakPolarHBondContact CG1-O 3.4Å; V113-F222 PolarHBondContact N-O 3.25Å; V113-V223 HydrophobicContact CG1-CB 4.33Å; V113-V223 HydrophobicContact CG1-CG1 4.43Å; V113-V223 HydrophobicContact CG1-CG2 3.95Å; V113-I224 PolarHBondContact O-N 2.76Å; V113-V249 CarbonylContact C-O 3.47Å; V113-V249 VanDerWaalsContact CA-O 3.3Å; V113-V249 WeakPolarHBondContact CA-O 3.26Å; V113-V249 HydrophobicContact CB-CB 4.31Å; V113-V249 HydrophobicContact CG2-CB 4.05Å; V113-V249 HydrophobicContact CG2-CG1 4.11Å; V113-I251 HydrophobicContact CG2-CD1 3.52Å; V113-I251 HydrophobicContact CG2-CG1 3.86Å
114M98.8Very high96.4Very high0 Ų038.4 Ų38.40%021%0.207CC..EExtended strand (participates in β ladder)trans-114.7129.4177.5-172.2174.463.100111.4V116 I224 T226 I238 A241 A242 V247 V249 V250 I251M114-V116 HydrophobicContact CE-CG1 3.88Å; M114-V116 HydrophobicContact CG-CG1 3.96Å; M114-V116 HydrophobicContact SD-CG1 4.33Å; M114-I224 HydrophobicContact CB-CB 4.16Å; M114-I224 HydrophobicContact CB-CD1 4.37Å; M114-I224 HydrophobicContact CG-CB 4.07Å; M114-I224 HydrophobicContact CG-CG2 4.06Å; M114-T226 HydrophobicContact CG-CG2 3.58Å; M114-T226 HydrophobicContact SD-CG2 3.8Å; M114-I238 HydrophobicContact CE-CG2 3.87Å; M114-A241 HydrophobicContact SD-CB 3.99Å; M114-A242 HydrophobicContact CE-CB 3.63Å; M114-V247 HydrophobicContact CB-CG1 3.83Å; M114-V247 HydrophobicContact CB-CG2 3.92Å; M114-V247 HydrophobicContact SD-CG2 4.42Å; M114-V249 PolarHBondContact N-O 3.13Å; M114-V250 HydrophobicContact CE-CG1 4.37Å; M114-V250 HydrophobicContact CE-CG2 3.91Å; M114-V250 CarbonylContact O-C 3.45Å; M114-V250 WeakPolarHBondContact O-CA 3.41Å; M114-I251 PolarHBondContact O-N 3.31Å
115I98.8Very high96.3Very high0 Ų035.3 Ų35.30%020%0.196CC..EExtended strand (participates in β ladder)trans-104.7119.5-175.7-61.171.6000107.8V113 K123 Y126 L130 V223 I224 T226 I253V113-I115 HydrophobicContact CG1-CD1 4.33Å; V113-I115 HydrophobicContact CG2-CD1 4.22Å; I115-K123 HydrophobicContact CG2-CB 3.88Å; I115-K123 HydrophobicContact CG2-CD 4.47Å; I115-K123 HydrophobicContact CG2-CG 4.01Å; I115-Y126 HydrophobicContact CG2-CD1 4.49Å; I115-L130 HydrophobicContact CD1-CD1 4.46Å; I115-V223 HydrophobicContact CD1-CG1 3.74Å; I115-I224 WeakPolarHBondContact CD1-O 3.41Å; I115-I224 PolarHBondContact N-O 3.45Å; I115-T226 WeakPolarHBondContact O-CG2 3.36Å; I115-T226 PolarHBondContact O-OG1 2.89Å; I115-I253 HydrophobicContact CG2-CD1 3.68Å; I115-I253 HydrophobicContact CG2-CG1 4.14Å
116V98.6Very high96.3Very high0 Ų026.7 Ų26.70%016%0.164CC..EExtended strand (participates in β ladder)trans-129.4157.6-173.9-54.70000111.4M114 T226 I238 V250 I251 V252 I253 L258 L262M114-V116 HydrophobicContact CE-CG1 3.88Å; M114-V116 HydrophobicContact CG-CG1 3.96Å; M114-V116 HydrophobicContact SD-CG1 4.33Å; V116-T226 HydrophobicContact CG1-CG2 4.06Å; V116-I238 HydrophobicContact CB-CD1 4.47Å; V116-I238 HydrophobicContact CB-CG2 4.48Å; V116-I238 HydrophobicContact CG1-CG1 4.45Å; V116-I238 HydrophobicContact CG1-CG2 3.77Å; V116-V250 HydrophobicContact CG1-CG1 4.18Å; V116-V250 HydrophobicContact CG2-CG1 3.67Å; V116-I251 PolarHBondContact N-O 2.89Å; V116-V252 HydrophobicContact CG2-CB 4.17Å; V116-V252 HydrophobicContact CG2-CG1 4.36Å; V116-V252 HydrophobicContact CG2-CG2 3.69Å; V116-V252 WeakPolarHBondContact O-CA 3.17Å; V116-I253 PolarHBondContact O-N 3.02Å; V116-L258 HydrophobicContact CG2-CD2 4.2Å; V116-L262 HydrophobicContact CG2-CD1 3.79Å
117G97.6Very high96.5Very high0 Ų020.5 Ų20.50%014%0.135CC..  trans150.3166.7-175.800000111.4K123 I230G117-K123 PolarHBondContact O-NZ 3.41Å; G117-I230 WeakPolarHBondContact O-CG2 3.48Å
118S95.7Very high96.7Very high34 Ų3419.4 Ų19.424%0.23811%0.11CC..SBendtrans-60.8174.4-179.255.30000112.1V121 K123S118-V121 WeakPolarHBondContact O-CG2 3.33Å; S118-V121 WeakPolarHBondContact OG-CG1 3.49Å; S118-K123 PolarHBondContact O-NZ 3.06Å
119T92.8Very high96.8Very high59 Ų5917.4 Ų17.436%0.36210%0.096SC..THydrogen-bonded Turntrans-61.4146.2173.155.20000111V121 G228 R289T119-V121 PolarHBondContact O-N 2.86Å; T119-G228 PolarHBondContact N-O 3.02Å; T119-R289 PolarHBondContact OG1-NH2 3.13Å
120D90.8Very high97Very high21 Ų2113.6 Ų13.611%0.1128%0.082CC..THydrogen-bonded Turntrans55.551174.9-52.4-38.9000113.6V281 E282 R284 R289D120-V281 VanDerWaalsContact C-CG1 3.4Å; D120-V281 WeakPolarHBondContact O-CG1 3.44Å; D120-E282 WeakPolarHBondContact CB-O 3.42Å; D120-R284 WeakPolarHBondContact OD1-CD 3.35Å; D120-R284 IonicContact OD1-CZ 3.96Å; D120-R284 IonicContact OD1-NE 2.65Å; D120-R284 IonicContact OD1-NH1 3.23Å; D120-R284 PolarHBondContact OD1-NH1 3.33Å; D120-R284 WeakPolarHBondContact OD2-CB 3.08Å; D120-R284 PolarHBondContact OD2-N 2.76Å; D120-R289 IonicContact OD2-CZ 3.19Å; D120-R289 IonicContact OD2-NE 3.24Å; D120-R289 PolarHBondContact OD2-NE 3.02Å; D120-R289 IonicContact OD2-NH2 2.67Å; D120-R289 PolarHBondContact OD2-NH2 3.04Å
121V93.8Very high97Very high3 Ų313.5 Ų13.52%0.0188%0.08CC..SBendtrans-114.91.5169.2-59.50000113.2S118 T119 K123 I253 K277S118-V121 WeakPolarHBondContact O-CG2 3.33Å; S118-V121 WeakPolarHBondContact OG-CG1 3.49Å; T119-V121 PolarHBondContact O-N 2.86Å; V121-K123 HydrophobicContact CG2-CD 4.39Å; V121-K123 HydrophobicContact CG2-CG 3.66Å; V121-I253 HydrophobicContact CB-CB 4.33Å; V121-I253 HydrophobicContact CB-CG2 3.91Å; V121-I253 HydrophobicContact CG2-CB 3.83Å; V121-I253 HydrophobicContact CG2-CD1 4.48Å; V121-I253 HydrophobicContact CG2-CG2 3.95Å; V121-I253 WeakPolarHBondContact O-CG2 3.49Å; V121-K277 HydrophobicContact CB-CB 4.35Å; V121-K277 HydrophobicContact CG1-CD 4.49Å; V121-K277 WeakPolarHBondContact O-CB 3.46Å
122G94.3Very high97Very high17 Ų1713.4 Ų13.418%0.1758%0.08CC..SBendtrans92.716178.500000115.9S124 T125 Y126G122-S124 PolarHBondContact O-N 3.36Å; G122-T125 WeakPolarHBondContact O-CB 3.5Å; G122-T125 PolarHBondContact O-N 2.97Å; G122-Y126 PolarHBondContact O-N 2.97Å
123K97.1Very high97Very high11 Ų1113.4 Ų13.45%0.0488%0.08CC..Hα-helixtrans-49.6-56.6179.7-59.4-167.7-62.8-70.70113.6I115 G117 S118 V121 T125 Y126 C127 T226 I253I115-K123 HydrophobicContact CG2-CB 3.88Å; I115-K123 HydrophobicContact CG2-CD 4.47Å; I115-K123 HydrophobicContact CG2-CG 4.01Å; G117-K123 PolarHBondContact O-NZ 3.41Å; S118-K123 PolarHBondContact O-NZ 3.06Å; V121-K123 HydrophobicContact CG2-CD 4.39Å; V121-K123 HydrophobicContact CG2-CG 3.66Å; K123-T125 VanDerWaalsContact C-N 3.29Å; K123-T125 PolarHBondContact O-N 3.15Å; K123-Y126 PolarHBondContact O-N 3.22Å; K123-C127 PolarHBondContact O-N 3.42Å; K123-C127 PolarHBondContact O-SG 3.18Å; K123-C127 VanDerWaalsContact O-SG 3.36Å; K123-T226 WeakPolarHBondContact CE-O 3.3Å; K123-I253 HydrophobicContact CB-CD1 4.48Å; K123-I253 HydrophobicContact CG-CD1 4.05Å
124S95.9Very high97Very high24 Ų2413.4 Ų13.417%0.1688%0.08CC..Hα-helixtrans-62.2-36.8-178.6-43.40000112.5G122 R128G122-S124 PolarHBondContact O-N 3.36Å; S124-R128 PolarHBondContact O-N 3.25Å
125T96Very high96.9Very high53 Ų5314.1 Ų14.133%0.3258%0.084SC..Hα-helixtrans-65-41.6174.1-56.70000111.1F41 G122 K123 R128 I129F41-T125 HydrophobicContact CB-CG2 4.36Å; F41-T125 HydrophobicContact CD1-CG2 3.26Å; F41-T125 HydrophobicContact CE1-CG2 3.58Å; F41-T125 HydrophobicContact CG-CG2 3.85Å; F41-T125 HydrophobicContact CZ-CG2 4.39Å; G122-T125 WeakPolarHBondContact O-CB 3.5Å; G122-T125 PolarHBondContact O-N 2.97Å; K123-T125 VanDerWaalsContact C-N 3.29Å; K123-T125 PolarHBondContact O-N 3.15Å; T125-R128 WeakPolarHBondContact O-CB 3.48Å; T125-R128 PolarHBondContact O-N 3.32Å; T125-I129 HydrophobicContact CG2-CD1 4.31Å; T125-I129 WeakPolarHBondContact O-CG1 3.47Å; T125-I129 PolarHBondContact O-N 3.33Å
126Y97.7Very high96.9Very high1 Ų118.4 Ų18.40%0.00410%0.1CC..Hα-helixtrans-68.7-40.7179.3-168.6-162.9000111.8Y89 T92 I115 G122 K123 R128 I129 L130 I251 I253 E275Y89-Y126 HydrophobicContact CD1-CD1 4.38Å; Y89-Y126 AromaticContact CD1-CD2 4Å; Y89-Y126 HydrophobicContact CD1-CD2 4Å; Y89-Y126 AromaticContact CD1-CE1 3.85Å; Y89-Y126 HydrophobicContact CD1-CE1 3.85Å; Y89-Y126 AromaticContact CD1-CE2 3.44Å; Y89-Y126 HydrophobicContact CD1-CE2 3.44Å; Y89-Y126 VanDerWaalsContact CD1-CE2 3.44Å; Y89-Y126 HydrophobicContact CD1-CG 4.46Å; Y89-Y126 AromaticContact CD1-CZ 3.36Å; Y89-Y126 AromaticContact CD2-CD2 3.83Å; Y89-Y126 HydrophobicContact CD2-CD2 3.83Å; Y89-Y126 AromaticContact CD2-CE2 3.9Å; Y89-Y126 HydrophobicContact CD2-CE2 3.9Å; Y89-Y126 HydrophobicContact CE1-CD1 4.1Å; Y89-Y126 HydrophobicContact CE1-CD2 4.27Å; Y89-Y126 AromaticContact CE1-CE1 3.86Å; Y89-Y126 HydrophobicContact CE1-CE1 3.86Å; Y89-Y126 HydrophobicContact CE1-CE2 4.09Å; Y89-Y126 HydrophobicContact CE1-CG 4.31Å; Y89-Y126 AromaticContact CE1-CZ 3.88Å; Y89-Y126 HydrophobicContact CE2-CD2 4.09Å; Y89-Y126 HydrophobicContact CE2-CE2 4.46Å; Y89-Y126 HydrophobicContact CE2-CG 4.34Å; Y89-Y126 AromaticContact CG-CD2 3.79Å; Y89-Y126 HydrophobicContact CG-CD2 3.79Å; Y89-Y126 AromaticContact CG-CE2 3.36Å; Y89-Y126 HydrophobicContact CG-CE2 3.36Å; Y89-Y126 AromaticContact CG-CZ 3.81Å; T92-Y126 VanDerWaalsContact CB-OH 3.3Å; T92-Y126 WeakPolarHBondContact CB-OH 3.41Å; T92-Y126 WeakPolarHBondContact CG2-OH 3.47Å; I115-Y126 HydrophobicContact CG2-CD1 4.49Å; G122-Y126 PolarHBondContact O-N 2.97Å; K123-Y126 PolarHBondContact O-N 3.22Å; Y126-R128 VanDerWaalsContact C-N 3.27Å; Y126-R128 PolarHBondContact O-N 2.87Å; Y126-I129 HydrophobicContact CD2-CB 4.42Å; Y126-I129 PolarHBondContact O-N 3.44Å; Y126-I129 VanDerWaalsContact O-N 3.15Å; Y126-L130 HydrophobicContact CD2-CD1 4.27Å; Y126-L130 HydrophobicContact CD2-CD2 4.42Å; Y126-L130 HydrophobicContact CD2-CG 3.91Å; Y126-L130 HydrophobicContact CE2-CD1 3.96Å; Y126-L130 HydrophobicContact CE2-CD2 3.65Å; Y126-L130 HydrophobicContact CE2-CG 3.6Å; Y126-L130 WeakPolarHBondContact O-CG 3.42Å; Y126-L130 PolarHBondContact O-N 3.05Å; Y126-I251 HydrophobicContact CE1-CD1 3.98Å; Y126-I251 HydrophobicContact CE1-CG2 3.86Å; Y126-I253 HydrophobicContact CD1-CD1 3.88Å; Y126-I253 HydrophobicContact CD1-CG1 4.44Å; Y126-E275 WeakPolarHBondContact CE1-OE2 3.27Å; Y126-E275 VanDerWaalsContact CZ-OE2 3.26Å; Y126-E275 PolarHBondContact OH-OE1 2.86Å; Y126-E275 PolarHBondContact OH-OE2 3.34Å
127C98.6Very high96.8Very high0 Ų023.7 Ų23.70%013%0.127CC..Hα-helixtrans-54.2-46.2169.7-64.90000111.1K123 I129 L130 L131 F143 V223K123-C127 PolarHBondContact O-N 3.42Å; K123-C127 PolarHBondContact O-SG 3.18Å; K123-C127 VanDerWaalsContact O-SG 3.36Å; C127-I129 PolarHBondContact O-N 3.15Å; C127-L130 PolarHBondContact O-N 3.33Å; C127-L131 WeakPolarHBondContact O-CB 3.38Å; C127-L131 WeakPolarHBondContact O-CD1 3.47Å; C127-L131 WeakPolarHBondContact O-CG 3.37Å; C127-L131 PolarHBondContact O-N 2.99Å; C127-F143 HydrophobicContact CB-CE2 3.98Å; C127-V223 HydrophobicContact CB-CG1 3.79Å
128R98.1Very high96.8Very high41 Ų4126 Ų2616%0.15515%0.151CC..Hα-helixtrans-58.6-44.5177.4179.9177.5177169.82.5112.4F41 S124 T125 Y126 N132 D169 P170 F174F41-R128 HydrophobicContact CB-CG 4.19Å; S124-R128 PolarHBondContact O-N 3.25Å; T125-R128 WeakPolarHBondContact O-CB 3.48Å; T125-R128 PolarHBondContact O-N 3.32Å; Y126-R128 VanDerWaalsContact C-N 3.27Å; Y126-R128 PolarHBondContact O-N 2.87Å; R128-N132 VanDerWaalsContact O-CB 3.3Å; R128-N132 WeakPolarHBondContact O-CB 3.48Å; R128-N132 PolarHBondContact O-N 3.4Å; R128-N132 PolarHBondContact O-ND2 3.1Å; R128-D169 PolarHBondContact NH2-O 2.87Å; R128-P170 VanDerWaalsContact NH2-CA 3.27Å; R128-P170 PolarHBondContact NH2-O 3.14Å; R128-F174 HydrophobicContact CB-CE2 4.19Å; R128-F174 HydrophobicContact CB-CZ 4.35Å; R128-F174 HydrophobicContact CG-CE2 4.03Å; R128-F174 HydrophobicContact CG-CZ 3.96Å
129I98.5Very high96.9Very high5 Ų525.4 Ų25.43%0.02614%0.144CC..Hα-helixtrans-60.6-51.9177-68.4165000110.7F41 M86 Y89 T125 Y126 C127 L131 N132 Y133F41-I129 VanDerWaalsContact C-CG1 3.49Å; F41-I129 HydrophobicContact CB-CG1 4.08Å; F41-I129 WeakPolarHBondContact O-CA 3.49Å; M86-I129 HydrophobicContact SD-CD1 4.11Å; Y89-I129 HydrophobicContact CD2-CD1 3.96Å; Y89-I129 HydrophobicContact CE2-CD1 4.32Å; T125-I129 HydrophobicContact CG2-CD1 4.31Å; T125-I129 WeakPolarHBondContact O-CG1 3.47Å; T125-I129 PolarHBondContact O-N 3.33Å; Y126-I129 HydrophobicContact CD2-CB 4.42Å; Y126-I129 PolarHBondContact O-N 3.44Å; Y126-I129 VanDerWaalsContact O-N 3.15Å; C127-I129 PolarHBondContact O-N 3.15Å; I129-L131 VanDerWaalsContact C-N 3.33Å; I129-L131 PolarHBondContact O-N 3.45Å; I129-N132 PolarHBondContact O-N 2.92Å; I129-Y133 HydrophobicContact CG2-CD2 3.8Å; I129-Y133 HydrophobicContact CG2-CE1 4.33Å; I129-Y133 HydrophobicContact CG2-CE2 3.39Å; I129-Y133 HydrophobicContact CG2-CG 4.43Å; I129-Y133 PolarHBondContact O-N 2.83Å
130L98.7Very high97.1Very high0 Ų025.8 Ų25.80%014%0.141CC..Hα-helixtrans-60.8-41-178.5-68.8178.9000112.6H93 L96 I115 Y126 C127 A134 V223 I251H93-L130 HydrophobicContact CB-CD2 3.99Å; L96-L130 HydrophobicContact CD1-CD1 4.3Å; L96-L130 HydrophobicContact CD1-CD2 4.19Å; I115-L130 HydrophobicContact CD1-CD1 4.46Å; Y126-L130 HydrophobicContact CD2-CD1 4.27Å; Y126-L130 HydrophobicContact CD2-CD2 4.42Å; Y126-L130 HydrophobicContact CD2-CG 3.91Å; Y126-L130 HydrophobicContact CE2-CD1 3.96Å; Y126-L130 HydrophobicContact CE2-CD2 3.65Å; Y126-L130 HydrophobicContact CE2-CG 3.6Å; Y126-L130 WeakPolarHBondContact O-CG 3.42Å; Y126-L130 PolarHBondContact O-N 3.05Å; C127-L130 PolarHBondContact O-N 3.33Å; L130-A134 WeakPolarHBondContact O-CB 3.44Å; L130-A134 PolarHBondContact O-N 2.94Å; L130-V223 HydrophobicContact CB-CG1 4.48Å; L130-V223 HydrophobicContact CB-CG2 4.46Å; L130-I251 HydrophobicContact CD1-CD1 4.2Å
131L98.8Very high97.5Very high0 Ų024.8 Ų24.80%014%0.135CC..Hα-helixtrans-65.8-46.7176.7-71.5165.9000111.5C127 I129 Y133 A134 V135 P141 F143 I164 F174 V223C127-L131 WeakPolarHBondContact O-CB 3.38Å; C127-L131 WeakPolarHBondContact O-CD1 3.47Å; C127-L131 WeakPolarHBondContact O-CG 3.37Å; C127-L131 PolarHBondContact O-N 2.99Å; I129-L131 VanDerWaalsContact C-N 3.33Å; I129-L131 PolarHBondContact O-N 3.45Å; L131-Y133 VanDerWaalsContact C-N 3.35Å; L131-Y133 PolarHBondContact O-N 3.01Å; L131-A134 PolarHBondContact O-N 3.43Å; L131-V135 WeakPolarHBondContact O-CG2 3.39Å; L131-V135 PolarHBondContact O-N 3.39Å; L131-V135 VanDerWaalsContact O-N 3.11Å; L131-P141 HydrophobicContact CD2-CB 3.92Å; L131-P141 HydrophobicContact CD2-CG 3.5Å; L131-F143 HydrophobicContact CD1-CB 3.61Å; L131-F143 HydrophobicContact CD1-CD1 4.15Å; L131-F143 HydrophobicContact CD1-CD2 3.66Å; L131-F143 HydrophobicContact CD1-CE2 4.42Å; L131-F143 HydrophobicContact CD1-CG 3.54Å; L131-F143 HydrophobicContact CD2-CB 4.07Å; L131-F143 HydrophobicContact CG-CB 4.5Å; L131-I164 HydrophobicContact CD1-CG1 4.41Å; L131-I164 HydrophobicContact CD2-CG1 3.92Å; L131-F174 HydrophobicContact CB-CE1 4.03Å; L131-F174 HydrophobicContact CB-CE2 4.36Å; L131-F174 HydrophobicContact CB-CZ 3.54Å; L131-F174 HydrophobicContact CD1-CE2 3.66Å; L131-F174 HydrophobicContact CD1-CZ 3.71Å; L131-F174 HydrophobicContact CG-CZ 4.29Å; L131-V223 HydrophobicContact CD2-CB 3.73Å; L131-V223 HydrophobicContact CD2-CG1 4.47Å; L131-V223 HydrophobicContact CD2-CG2 3.62Å; L131-V223 HydrophobicContact CG-CB 3.99Å; L131-V223 HydrophobicContact CG-CG1 4.19Å; L131-V223 HydrophobicContact CG-CG2 4.02Å
132N98.7Very high97.7Very high0 Ų024.7 Ų24.70%014%0.135CC..Hα-helixtrans-59.2-45.5177.1-85.1-25.9000112F41 S43 R128 I129 V135 R136 P167 A168F41-N132 PolarHBondContact O-ND2 3.22Å; S43-N132 PolarHBondContact N-ND2 3.32Å; S43-N132 PolarHBondContact OG-ND2 3Å; R128-N132 VanDerWaalsContact O-CB 3.3Å; R128-N132 WeakPolarHBondContact O-CB 3.48Å; R128-N132 PolarHBondContact O-N 3.4Å; R128-N132 PolarHBondContact O-ND2 3.1Å; I129-N132 PolarHBondContact O-N 2.92Å; N132-V135 PolarHBondContact O-N 3.22Å; N132-R136 VanDerWaalsContact O-CG 3.26Å; N132-R136 WeakPolarHBondContact O-CG 3.49Å; N132-R136 PolarHBondContact O-N 2.94Å; N132-P167 WeakPolarHBondContact OD1-CA 3.46Å; N132-A168 PolarHBondContact OD1-N 3.04Å
133Y98.7Very high97.9Very high12 Ų1224.2 Ų24.25%0.04713%0.128CC..Hα-helixtrans-64.2-41.4177.7-67.6-14.3000112.1E39 M86 V90 H93 I129 L131 V135 R136 M137E39-Y133 WeakPolarHBondContact OE1-CE1 3.5Å; E39-Y133 PolarHBondContact OE1-OH 3.38Å; M86-Y133 WeakPolarHBondContact CE-OH 3.45Å; V90-Y133 HydrophobicContact CB-CE2 4.37Å; V90-Y133 HydrophobicContact CG2-CE2 4.42Å; H93-Y133 HydrophobicContact CB-CD2 3.9Å; H93-Y133 VanDerWaalsContact CE1-CB 3.44Å; H93-Y133 WeakPolarHBondContact CE1-CB 3.3Å; H93-Y133 AromaticContact CG-CD2 3.82Å; H93-Y133 WeakPolarHBondContact ND1-CB 3.39Å; H93-Y133 WeakPolarHBondContact NE2-CB 3.45Å; I129-Y133 HydrophobicContact CG2-CD2 3.8Å; I129-Y133 HydrophobicContact CG2-CE1 4.33Å; I129-Y133 HydrophobicContact CG2-CE2 3.39Å; I129-Y133 HydrophobicContact CG2-CG 4.43Å; I129-Y133 PolarHBondContact O-N 2.83Å; L131-Y133 VanDerWaalsContact C-N 3.35Å; L131-Y133 PolarHBondContact O-N 3.01Å; Y133-V135 VanDerWaalsContact C-N 3.33Å; Y133-V135 PolarHBondContact O-N 3.34Å; Y133-R136 PolarHBondContact O-N 3.03Å; Y133-M137 WeakPolarHBondContact O-CG 3.41Å; Y133-M137 PolarHBondContact O-N 3.26Å
134A98.6Very high98Very high0 Ų023.7 Ų23.70%013%0.125CC..Hα-helixtrans-59.3-43.9177.400000112.3H93 L130 L131 M137 G138 H139 P141H93-A134 PolarHBondContact CE1-N 3.27Å; L130-A134 WeakPolarHBondContact O-CB 3.44Å; L130-A134 PolarHBondContact O-N 2.94Å; L131-A134 PolarHBondContact O-N 3.43Å; A134-M137 CarbonylContact O-C 3.58Å; A134-M137 PolarHBondContact O-N 2.9Å; A134-G138 PolarHBondContact O-N 3.26Å; A134-H139 CarbonylContact C-O 3.57Å; A134-H139 PolarHBondContact O-N 2.85Å; A134-P141 HydrophobicContact CB-CG 3.78Å
135V98.2Very high98.1Very high15 Ų1522.6 Ų22.69%0.09112%0.118CC..Hα-helixtrans-70.3-36.4178.7-177.60000112.5L131 N132 Y133 M137 G138 H139 I164 E165 P167L131-V135 WeakPolarHBondContact O-CG2 3.39Å; L131-V135 PolarHBondContact O-N 3.39Å; L131-V135 VanDerWaalsContact O-N 3.11Å; N132-V135 PolarHBondContact O-N 3.22Å; Y133-V135 VanDerWaalsContact C-N 3.33Å; Y133-V135 PolarHBondContact O-N 3.34Å; V135-M137 PolarHBondContact O-N 3.42Å; V135-G138 PolarHBondContact O-N 3.33Å; V135-H139 WeakPolarHBondContact CA-O 3.33Å; V135-I164 HydrophobicContact CG2-CB 4.31Å; V135-I164 HydrophobicContact CG2-CG2 3.71Å; V135-E165 WeakPolarHBondContact CG1-O 3.49Å; V135-P167 HydrophobicContact CG1-CG 4.29Å
136R97.5Very high98.2Very high90 Ų9020.1 Ų20.134%0.3410%0.102SC..Hα-helixtrans-61.4-29.5172.4-73167.266.6-171.3-4112.1E39 G42 E44 N132 Y133 G138 P167E39-R136 IonicContact OE2-CZ 3.08Å; E39-R136 IonicContact OE2-NH1 2.65Å; E39-R136 PolarHBondContact OE2-NH1 3.44Å; E39-R136 IonicContact OE2-NH2 3.81Å; G42-R136 WeakPolarHBondContact O-CD 3.47Å; G42-R136 PolarHBondContact O-NH1 3.21Å; E44-R136 IonicContact OE1-CZ 3.74Å; E44-R136 IonicContact OE1-NE 2.77Å; E44-R136 PolarHBondContact OE1-NE 3.29Å; E44-R136 IonicContact OE1-NH2 3.81Å; E44-R136 PolarHBondContact OE1-NH2 3.46Å; N132-R136 VanDerWaalsContact O-CG 3.26Å; N132-R136 WeakPolarHBondContact O-CG 3.49Å; N132-R136 PolarHBondContact O-N 2.94Å; Y133-R136 PolarHBondContact O-N 3.03Å; R136-G138 VanDerWaalsContact C-N 3.3Å; R136-P167 HydrophobicContact CG-CG 4.24Å
137M97.2Very high98.3Very high112 Ų11221 Ų2155%0.55211%0.107SC*.THydrogen-bonded Turntrans-86.16.2174.1-65.8-58.6-63.700113.9E97 Y133 A134 V135E97-M137 HydrophobicContact CG-CE 4.42Å; Y133-M137 WeakPolarHBondContact O-CG 3.41Å; Y133-M137 PolarHBondContact O-N 3.26Å; A134-M137 CarbonylContact O-C 3.58Å; A134-M137 PolarHBondContact O-N 2.9Å; V135-M137 PolarHBondContact O-N 3.42Å
138G97.3Very high98.2Very high49 Ų4921 Ų2151%0.50511%0.107SC..THydrogen-bonded Turntrans86.111.4175.900000115.3A134 V135 R136A134-G138 PolarHBondContact O-N 3.26Å; V135-G138 PolarHBondContact O-N 3.33Å; R136-G138 VanDerWaalsContact C-N 3.3Å
139H98Very high98.1Very high21 Ų2119.3 Ų19.310%0.09710%0.103CC..  trans-102.8153.6177.3-65.5-74000112.7E97 A134 V135 P141E97-H139 VanDerWaalsContact CD-CD2 3.48Å; E97-H139 IonicContact OE1-CD2 2.88Å; E97-H139 PolarHBondContact OE1-CD2 3.48Å; E97-H139 IonicContact OE1-CE1 3.68Å; E97-H139 IonicContact OE1-NE2 3.57Å; E97-H139 PolarHBondContact OE1-NE2 2.78Å; E97-H139 IonicContact OE2-CD2 3.26Å; E97-H139 PolarHBondContact OE2-CD2 3.12Å; E97-H139 IonicContact OE2-NE2 3.14Å; E97-H139 PolarHBondContact OE2-NE2 2.93Å; A134-H139 CarbonylContact C-O 3.57Å; A134-H139 PolarHBondContact O-N 2.85Å; V135-H139 WeakPolarHBondContact CA-O 3.33Å; H139-P141 VanDerWaalsContact O-CD 3.26Å; H139-P141 WeakPolarHBondContact O-CD 3.26Å
140F97.3Very high97.9Very high67 Ų6720.6 Ų20.629%0.29411%0.109SC..  trans-120.977.6-177.2-51.8-49.7000111.2Y163 I164 A216F140-Y163 HydrophobicContact CB-CE1 4.32Å; F140-Y163 HydrophobicContact CB-CE2 3.54Å; F140-Y163 VanDerWaalsContact CB-CZ 3.43Å; F140-Y163 WeakPolarHBondContact CB-OH 3.28Å; F140-Y163 WeakPolarHBondContact CD2-OH 3.5Å; F140-Y163 WeakPolarHBondContact O-CE2 3.28Å; F140-I164 VanDerWaalsContact CA-O 3.32Å; F140-I164 WeakPolarHBondContact CA-O 3.31Å; F140-A216 HydrophobicContact CD2-CB 3.93Å
141P98.2Very high97.6Very high0 Ų020.9 Ų20.90%011%0.112CC..PPolyproline II helixtrans-68.2156.7178.530.7-37000111.8L131 A134 H139 I164 G221L131-P141 HydrophobicContact CD2-CB 3.92Å; L131-P141 HydrophobicContact CD2-CG 3.5Å; A134-P141 HydrophobicContact CB-CG 3.78Å; H139-P141 VanDerWaalsContact O-CD 3.26Å; H139-P141 WeakPolarHBondContact O-CD 3.26Å; P141-I164 PolarHBondContact O-N 2.96Å; P141-G221 WeakPolarHBondContact CA-O 3.17Å
142T98.5Very high97.3Very high0 Ų024.5 Ų24.50%013%0.129CC..EExtended strand (participates in β ladder)trans-91.5121165.4-57.90000109.6V144 A161 L162 L207 G221 F222 V223T142-V144 HydrophobicContact CG2-CG2 4.21Å; T142-A161 HydrophobicContact CG2-CB 3.96Å; T142-L162 CarbonylContact C-O 3.56Å; T142-L207 HydrophobicContact CG2-CD1 4.2Å; T142-L207 HydrophobicContact CG2-CD2 3.85Å; T142-G221 PolarHBondContact N-O 3.44Å; T142-F222 WeakPolarHBondContact O-CA 3.49Å; T142-V223 PolarHBondContact O-N 3.32Å
143F98.7Very high97.1Very high7 Ų724.9 Ų24.93%0.03113%0.131CC..EExtended strand (participates in β ladder)trans-76.3123.7166.6-179.2-147.7000109C127 L131 D145 H152 I153 A161 L162 I164 V223 N225C127-F143 HydrophobicContact CB-CE2 3.98Å; L131-F143 HydrophobicContact CD1-CB 3.61Å; L131-F143 HydrophobicContact CD1-CD1 4.15Å; L131-F143 HydrophobicContact CD1-CD2 3.66Å; L131-F143 HydrophobicContact CD1-CE2 4.42Å; L131-F143 HydrophobicContact CD1-CG 3.54Å; L131-F143 HydrophobicContact CD2-CB 4.07Å; L131-F143 HydrophobicContact CG-CB 4.5Å; F143-D145 HydrophobicContact CE1-CB 4.2Å; F143-D145 HydrophobicContact CE2-CB 4.35Å; F143-D145 HydrophobicContact CZ-CB 3.9Å; F143-H152 HydrophobicContact CE1-CB 4.37Å; F143-I153 HydrophobicContact CD1-CD1 3.65Å; F143-I153 HydrophobicContact CD1-CG1 3.67Å; F143-I153 HydrophobicContact CE1-CD1 3.94Å; F143-I153 HydrophobicContact CE1-CG1 3.66Å; F143-I153 HydrophobicContact CG-CD1 4.26Å; F143-A161 CarbonylContact O-C 3.57Å; F143-A161 WeakPolarHBondContact O-CA 3.31Å; F143-A161 WeakPolarHBondContact O-CB 3.28Å; F143-L162 PolarHBondContact N-O 3.36Å; F143-L162 PolarHBondContact O-N 2.87Å; F143-I164 HydrophobicContact CB-CD1 3.94Å; F143-I164 HydrophobicContact CB-CG1 3.89Å; F143-V223 WeakPolarHBondContact CD2-O 3.29Å; F143-N225 HydrophobicContact CE2-CB 3.74Å; F143-N225 HydrophobicContact CZ-CB 4.09Å
144V98.8Very high97Very high0 Ų025.3 Ų25.30%014%0.135CC..EExtended strand (participates in β ladder)trans-112.8123.5175.6-179.10000107.4T142 L146 A161 L203 L207 F222 V223 I224 N225 F245T142-V144 HydrophobicContact CG2-CG2 4.21Å; V144-L146 HydrophobicContact CG1-CD2 3.55Å; V144-L146 HydrophobicContact CG1-CG 4.06Å; V144-A161 HydrophobicContact CG2-CB 4.37Å; V144-L203 HydrophobicContact CG1-CD2 3.96Å; V144-L207 HydrophobicContact CG2-CD1 3.51Å; V144-F222 HydrophobicContact CG2-CB 4.29Å; V144-F222 HydrophobicContact CG2-CG 4.28Å; V144-V223 PolarHBondContact N-O 2.78Å; V144-I224 HydrophobicContact CB-CB 4.26Å; V144-I224 HydrophobicContact CB-CG1 3.91Å; V144-I224 HydrophobicContact CB-CG2 4.18Å; V144-I224 HydrophobicContact CG1-CG1 4.4Å; V144-I224 HydrophobicContact CG1-CG2 4.06Å; V144-I224 HydrophobicContact CG2-CG1 4.21Å; V144-I224 CarbonylContact O-C 3.45Å; V144-I224 WeakPolarHBondContact O-CA 3.38Å; V144-N225 PolarHBondContact O-N 3.03Å; V144-F245 HydrophobicContact CG1-CE1 3.84Å; V144-F245 HydrophobicContact CG1-CZ 3.93Å
145D98.6Very high96.9Very high1 Ų125.3 Ų25.31%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-117.8104.4-178-159.8-3.9000110.3F143 D147 G151 H152 I153 S160 N225F143-D145 HydrophobicContact CE1-CB 4.2Å; F143-D145 HydrophobicContact CE2-CB 4.35Å; F143-D145 HydrophobicContact CZ-CB 3.9Å; D145-D147 PolarHBondContact OD1-N 3.02Å; D145-G151 WeakPolarHBondContact OD2-CA 3.49Å; D145-H152 PolarHBondContact OD2-N 2.82Å; D145-I153 HydrophobicContact CB-CD1 3.65Å; D145-I153 HydrophobicContact CB-CG1 4.05Å; D145-S160 PolarHBondContact N-O 3.02Å; D145-S160 PolarHBondContact O-N 3.25Å; D145-N225 PolarHBondContact OD1-ND2 2.86Å
146L98.7Very high96.9Very high1 Ų124.8 Ų24.81%0.00513%0.132CC..  trans-97.31.8179.5-47.7-176.4000111.9V144 V148 I159 Y196 L200 L203 I224 N225 C227 A241 F245V144-L146 HydrophobicContact CG1-CD2 3.55Å; V144-L146 HydrophobicContact CG1-CG 4.06Å; L146-V148 PolarHBondContact O-N 3.31Å; L146-V148 VanDerWaalsContact O-N 3.11Å; L146-I159 HydrophobicContact CD2-CG2 3.62Å; L146-Y196 PolarHBondContact O-OH 3.42Å; L146-L200 HydrophobicContact CB-CD2 4.45Å; L146-L200 HydrophobicContact CD1-CD2 3.95Å; L146-L200 HydrophobicContact CD2-CD2 3.59Å; L146-L200 HydrophobicContact CG-CD2 4.2Å; L146-L203 HydrophobicContact CD2-CD2 4.24Å; L146-I224 HydrophobicContact CD1-CG2 3.59Å; L146-I224 HydrophobicContact CG-CG2 3.86Å; L146-N225 WeakPolarHBondContact CB-O 3.38Å; L146-N225 PolarHBondContact N-O 2.8Å; L146-C227 PolarHBondContact O-SG 2.82Å; L146-A241 HydrophobicContact CD1-CB 3.92Å; L146-F245 HydrophobicContact CD1-CD2 4.32Å; L146-F245 HydrophobicContact CD1-CE2 3.84Å; L146-F245 HydrophobicContact CD2-CE2 4.01Å; L146-F245 HydrophobicContact CD2-CZ 3.94Å
147D98Very high96.9Very high19 Ų1920.6 Ų20.610%0.10212%0.117CC..  trans-79.891.4176.3-166.1-23.2000111.1D145 G149 Q150 G151 N225D145-D147 PolarHBondContact OD1-N 3.02Å; D147-G149 PolarHBondContact O-N 3.38Å; D147-G149 WeakPolarHBondContact OD1-CA 3.41Å; D147-G149 PolarHBondContact OD1-N 3.19Å; D147-Q150 PolarHBondContact OD1-N 3.36Å; D147-G151 VanDerWaalsContact O-CA 3.25Å; D147-G151 WeakPolarHBondContact O-CA 3.37Å; D147-G151 PolarHBondContact O-N 3.04Å; D147-N225 WeakPolarHBondContact CB-ND2 3.29Å
148V97.4Very high96.9Very high0 Ų015.4 Ų15.40%09%0.092CC..THydrogen-bonded Turntrans-67.6-15177.2-610000113L146 G157 I159 F184 P189 Y196L146-V148 PolarHBondContact O-N 3.31Å; L146-V148 VanDerWaalsContact O-N 3.11Å; V148-G157 PolarHBondContact O-N 3.04Å; V148-I159 HydrophobicContact CG1-CD1 4.25Å; V148-I159 HydrophobicContact CG1-CG1 3.55Å; V148-F184 HydrophobicContact CB-CD1 3.83Å; V148-F184 HydrophobicContact CB-CE1 4.41Å; V148-F184 HydrophobicContact CG1-CB 4.15Å; V148-F184 HydrophobicContact CG1-CD1 3.59Å; V148-F184 HydrophobicContact CG1-CE1 4.33Å; V148-F184 HydrophobicContact CG1-CG 4.1Å; V148-F184 HydrophobicContact CG2-CD1 3.97Å; V148-F184 HydrophobicContact CG2-CE1 4.03Å; V148-P189 HydrophobicContact CG2-CG 4.05Å; V148-Y196 HydrophobicContact CG1-CD2 4.22Å; V148-Y196 HydrophobicContact CG1-CE2 3.92Å
149G95.7Very high96.9Very high7 Ų713.1 Ų13.17%0.0727%0.068CC..THydrogen-bonded Turntrans-93.5-40.3-178.200000113.5D147 A187 R293D147-G149 PolarHBondContact O-N 3.38Å; D147-G149 WeakPolarHBondContact OD1-CA 3.41Å; D147-G149 PolarHBondContact OD1-N 3.19Å; G149-A187 WeakPolarHBondContact CA-O 3.21Å; G149-R293 WeakPolarHBondContact O-CD 3.28Å; G149-R293 WeakPolarHBondContact O-CG 2.94Å
150Q93.4Very high96.9Very high31 Ų3112.2 Ų12.215%0.1456%0.064CC..THydrogen-bonded Turntrans-13933.6-173.9-62.6-65.2-1.600112.8D147 H152 R289D147-Q150 PolarHBondContact OD1-N 3.36Å; Q150-H152 PolarHBondContact O-CD2 3.21Å; Q150-H152 VanDerWaalsContact O-CD2 3.26Å; Q150-R289 PolarHBondContact NE2-O 2.86Å
151G93.4Very high97Very high7 Ų79 Ų97%0.0725%0.05CC..  trans-58.3162.417500000114.6D145 D147 R296D145-G151 WeakPolarHBondContact OD2-CA 3.49Å; D147-G151 VanDerWaalsContact O-CA 3.25Å; D147-G151 WeakPolarHBondContact O-CA 3.37Å; D147-G151 PolarHBondContact O-N 3.04Å; G151-R296 PolarHBondContact O-NE 2.71Å
152H92Very high97Very high75 Ų759.1 Ų9.135%0.3475%0.05SC..SBendtrans-116.8-17.5-172.3-79.7-127.2000114.2F143 D145 Q150 R296F143-H152 HydrophobicContact CE1-CB 4.37Å; D145-H152 PolarHBondContact OD2-N 2.82Å; Q150-H152 PolarHBondContact O-CD2 3.21Å; Q150-H152 VanDerWaalsContact O-CD2 3.26Å; H152-R296 PolarHBondContact CD2-NH2 3.06Å; H152-R296 PolarHBondContact CE1-NH2 2.85Å; H152-R296 VanDerWaalsContact CE1-NH2 3.33Å; H152-R296 PolarHBondContact ND1-NH2 3.28Å
153I95.4Very high96.9Very high8 Ų811 Ų114%0.0416%0.058CC..SBendtrans-82.1-43-179.2-60.7175.1000111.2F143 D145 S160 L162 P179F143-I153 HydrophobicContact CD1-CD1 3.65Å; F143-I153 HydrophobicContact CD1-CG1 3.67Å; F143-I153 HydrophobicContact CE1-CD1 3.94Å; F143-I153 HydrophobicContact CE1-CG1 3.66Å; F143-I153 HydrophobicContact CG-CD1 4.26Å; D145-I153 HydrophobicContact CB-CD1 3.65Å; D145-I153 HydrophobicContact CB-CG1 4.05Å; I153-S160 WeakPolarHBondContact CB-OG 3.23Å; I153-L162 HydrophobicContact CD1-CB 3.85Å; I153-L162 HydrophobicContact CG1-CB 4.21Å; I153-L162 HydrophobicContact CG2-CB 4.31Å; I153-P179 HydrophobicContact CG2-CB 3.76Å
154C95.4Very high96.9Very high21 Ų2110.9 Ų10.914%0.1426%0.057CC..SBendtrans-138.2-169.2-176-157.20000111.2T158 V181C154-T158 HydrophobicContact CB-CG2 4.46Å; C154-V181 HydrophobicContact CB-CG1 4.08Å; C154-V181 HydrophobicContact CB-CG2 4.21Å
155I97Very high96.8Very high1 Ų114.9 Ų14.91%0.0058%0.076CC..SBendtrans-64.6158.9175.765.9166.4000111.5T158 V297 Y300 M362 F383I155-T158 HydrophobicContact CG1-CG2 4Å; I155-T158 WeakPolarHBondContact O-CG2 3.29Å; I155-T158 PolarHBondContact O-OG1 2.84Å; I155-V297 HydrophobicContact CB-CG2 4.19Å; I155-V297 HydrophobicContact CG2-CG2 4.21Å; I155-Y300 HydrophobicContact CG2-CD1 4.14Å; I155-Y300 HydrophobicContact CG2-CD2 4.09Å; I155-Y300 HydrophobicContact CG2-CG 3.68Å; I155-M362 HydrophobicContact CD1-CB 4.28Å; I155-M362 HydrophobicContact CD1-CE 3.95Å; I155-M362 HydrophobicContact CD1-CG 4.26Å; I155-F383 HydrophobicContact CD1-CB 3.98Å; I155-F383 HydrophobicContact CD1-CD1 3.43Å; I155-F383 VanDerWaalsContact CD1-CD1 3.43Å; I155-F383 HydrophobicContact CD1-CD2 3.79Å; I155-F383 HydrophobicContact CD1-CE1 3.76Å; I155-F383 HydrophobicContact CD1-CE2 4.11Å; I155-F383 HydrophobicContact CD1-CG 3.44Å; I155-F383 VanDerWaalsContact CD1-CG 3.44Å; I155-F383 HydrophobicContact CD1-CZ 4.1Å; I155-F383 HydrophobicContact CG1-CD1 4.29Å; I155-F383 HydrophobicContact CG1-CD2 3.95Å; I155-F383 HydrophobicContact CG1-CE1 4.25Å; I155-F383 HydrophobicContact CG1-CE2 3.94Å; I155-F383 HydrophobicContact CG1-CG 4.14Å; I155-F383 HydrophobicContact CG1-CZ 4.1Å
156P97.8Very high96.7Very high4 Ų420.8 Ų20.83%0.02610%0.102CC..SBendtrans-53.9155.9169.5-24.134.7000112.1R293 R296 I416P156-R293 HydrophobicContact CB-CG 4.13Å; P156-R293 HydrophobicContact CG-CB 3.74Å; P156-R293 HydrophobicContact CG-CG 3.65Å; P156-R296 HydrophobicContact CG-CB 4.46Å; P156-I416 HydrophobicContact CB-CD1 4.24Å; P156-I416 WeakPolarHBondContact O-CG1 3.23Å
157G97.3Very high96.6Very high1 Ų123.6 Ų23.61%0.0112%0.12CC..SBendtrans80.320.2-175.600000113.9V148 F184 G185 H186V148-G157 PolarHBondContact O-N 3.04Å; G157-F184 CarbonylContact O-C 3.52Å; G157-F184 WeakPolarHBondContact O-CA 3.44Å; G157-F184 WeakPolarHBondContact O-CB 3.46Å; G157-F184 PolarHBondContact O-N 3.25Å; G157-G185 PolarHBondContact O-N 3.12Å; G157-H186 WeakPolarHBondContact CA-O 3.16Å
158T97.9Very high96.6Very high4 Ų422.9 Ų22.93%0.02512%0.117CC..EExtended strand (participates in β ladder)trans-126.2149.6-179.264.30000112.5C154 I155 V181 Y182 F383C154-T158 HydrophobicContact CB-CG2 4.46Å; I155-T158 HydrophobicContact CG1-CG2 4Å; I155-T158 WeakPolarHBondContact O-CG2 3.29Å; I155-T158 PolarHBondContact O-OG1 2.84Å; T158-V181 HydrophobicContact CG2-CG1 3.85Å; T158-Y182 WeakPolarHBondContact CA-O 3.46Å; T158-F383 HydrophobicContact CG2-CE1 4.26Å; T158-F383 HydrophobicContact CG2-CE2 4Å; T158-F383 HydrophobicContact CG2-CZ 3.44Å; T158-F383 VanDerWaalsContact CG2-CZ 3.44Å
159I98Very high96.6Very high0 Ų025.2 Ų25.20%013%0.129CC..EExtended strand (participates in β ladder)trans-113130.6166.4-61177.3000106.1L146 V148 Y182 F184 Y196 L199 L200 L203L146-I159 HydrophobicContact CD2-CG2 3.62Å; V148-I159 HydrophobicContact CG1-CD1 4.25Å; V148-I159 HydrophobicContact CG1-CG1 3.55Å; I159-Y182 PolarHBondContact N-O 2.83Å; I159-Y182 PolarHBondContact O-N 3.16Å; I159-F184 HydrophobicContact CG1-CB 4.42Å; I159-Y196 HydrophobicContact CD1-CD2 3.55Å; I159-Y196 HydrophobicContact CD1-CE2 3.58Å; I159-Y196 HydrophobicContact CD1-CG 4.43Å; I159-Y196 HydrophobicContact CG1-CD2 4.45Å; I159-Y196 HydrophobicContact CG1-CE2 4.21Å; I159-L199 HydrophobicContact CD1-CB 3.79Å; I159-L199 HydrophobicContact CD1-CD1 4.33Å; I159-L200 HydrophobicContact CD1-CD2 3.94Å; I159-L200 HydrophobicContact CG2-CD2 4.22Å; I159-L203 HydrophobicContact CG2-CD2 3.65Å
160S98Very high96.6Very high2 Ų225.2 Ų25.21%0.01413%0.128CC..EExtended strand (participates in β ladder)trans-150.4162.7-166.554.80000114.1D145 I153 I180D145-S160 PolarHBondContact N-O 3.02Å; D145-S160 PolarHBondContact O-N 3.25Å; I153-S160 WeakPolarHBondContact CB-OG 3.23Å; S160-I180 CarbonylContact C-O 3.51Å; S160-I180 WeakPolarHBondContact CA-O 3.32Å; S160-I180 VanDerWaalsContact CB-O 3.29Å; S160-I180 WeakPolarHBondContact CB-O 3.48Å
161A98.3Very high96.7Very high0 Ų025.5 Ų25.50%013%0.131CC..EExtended strand (participates in β ladder)trans-143146172.600000112.1T142 F143 V144 P179 I180 L203 L207T142-A161 HydrophobicContact CG2-CB 3.96Å; F143-A161 CarbonylContact O-C 3.57Å; F143-A161 WeakPolarHBondContact O-CA 3.31Å; F143-A161 WeakPolarHBondContact O-CB 3.28Å; V144-A161 HydrophobicContact CG2-CB 4.37Å; A161-P179 WeakPolarHBondContact O-CA 3.09Å; A161-I180 PolarHBondContact N-O 2.85Å; A161-I180 PolarHBondContact O-N 2.83Å; A161-L203 HydrophobicContact CB-CD1 3.88Å; A161-L203 HydrophobicContact CB-CD2 4.31Å; A161-L207 HydrophobicContact CB-CD1 4.01Å; A161-L207 HydrophobicContact CB-CD2 3.85Å; A161-L207 HydrophobicContact CB-CG 4.38Å
162L98Very high96.6Very high2 Ų226.4 Ų26.41%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-134.8129-177.3-175.366.3000109.7T142 F143 I153 I164 F174 P179T142-L162 CarbonylContact C-O 3.56Å; F143-L162 PolarHBondContact N-O 3.36Å; F143-L162 PolarHBondContact O-N 2.87Å; I153-L162 HydrophobicContact CD1-CB 3.85Å; I153-L162 HydrophobicContact CG1-CB 4.21Å; I153-L162 HydrophobicContact CG2-CB 4.31Å; L162-I164 HydrophobicContact CB-CD1 4.04Å; L162-I164 HydrophobicContact CD2-CD1 3.63Å; L162-I164 HydrophobicContact CG-CD1 3.66Å; L162-F174 HydrophobicContact CD2-CB 3.85Å; L162-P179 HydrophobicContact CD1-CB 4.2Å
163Y97.4Very high96.7Very high41 Ų4123.6 Ų23.616%0.16113%0.126CC..EExtended strand (participates in β ladder)trans-81.6120.4175.2-179.6-119.2000109.1F140 E165 N214 A217F140-Y163 HydrophobicContact CB-CE1 4.32Å; F140-Y163 HydrophobicContact CB-CE2 3.54Å; F140-Y163 VanDerWaalsContact CB-CZ 3.43Å; F140-Y163 WeakPolarHBondContact CB-OH 3.28Å; F140-Y163 WeakPolarHBondContact CD2-OH 3.5Å; F140-Y163 WeakPolarHBondContact O-CE2 3.28Å; Y163-E165 HydrophobicContact CD1-CG 3.55Å; Y163-E165 HydrophobicContact CE1-CG 3.45Å; Y163-E165 VanDerWaalsContact CE1-CG 3.45Å; Y163-N214 PolarHBondContact OH-ND2 2.9Å; Y163-A217 HydrophobicContact CD2-CB 3.99Å; Y163-A217 HydrophobicContact CE2-CB 3.49Å; Y163-A217 VanDerWaalsContact CE2-CB 3.49Å
164I97.9Very high96.8Very high4 Ų424.6 Ų24.62%0.02113%0.13CC..  trans-99.6109.2-171.2-48.3-56.7000109.8L131 V135 F140 P141 F143 L162 K166 F174L131-I164 HydrophobicContact CD1-CG1 4.41Å; L131-I164 HydrophobicContact CD2-CG1 3.92Å; V135-I164 HydrophobicContact CG2-CB 4.31Å; V135-I164 HydrophobicContact CG2-CG2 3.71Å; F140-I164 VanDerWaalsContact CA-O 3.32Å; F140-I164 WeakPolarHBondContact CA-O 3.31Å; P141-I164 PolarHBondContact O-N 2.96Å; F143-I164 HydrophobicContact CB-CD1 3.94Å; F143-I164 HydrophobicContact CB-CG1 3.89Å; L162-I164 HydrophobicContact CB-CD1 4.04Å; L162-I164 HydrophobicContact CD2-CD1 3.63Å; L162-I164 HydrophobicContact CG-CD1 3.66Å; I164-K166 WeakPolarHBondContact CG2-O 3.4Å; I164-F174 HydrophobicContact CD1-CB 4.11Å; I164-F174 HydrophobicContact CD1-CD1 3.99Å; I164-F174 HydrophobicContact CD1-CD2 4.39Å; I164-F174 HydrophobicContact CD1-CG 3.9Å; I164-F174 HydrophobicContact CG1-CD1 4.49Å; I164-F174 HydrophobicContact CG2-CD1 3.6Å; I164-F174 HydrophobicContact CG2-CE1 3.68Å
165E96.6Very high96.7Very high83 Ų8327.2 Ų27.239%0.38814%0.143SC..  trans-102.3-20.2-179.2-60.2-179120.800113.5V135 Y163 R177V135-E165 WeakPolarHBondContact CG1-O 3.49Å; Y163-E165 HydrophobicContact CD1-CG 3.55Å; Y163-E165 HydrophobicContact CE1-CG 3.45Å; Y163-E165 VanDerWaalsContact CE1-CG 3.45Å; E165-R177 IonicContact OE2-CZ 2.87Å; E165-R177 IonicContact OE2-NH1 3.83Å; E165-R177 IonicContact OE2-NH2 3.97Å; E165-R177 PolarHBondContact OE2-NH2 2.89Å; E165-R177 VanDerWaalsContact OE2-NH2 3.14Å
166K97Very high96.4Very high126 Ų12631.2 Ų31.255%0.54816%0.16SC..SBendtrans-137.6150.4-174.7-65.7-178.2-176174.80109.7I164I164-K166 WeakPolarHBondContact CG2-O 3.4Å
167P97.8Very high95.8Very high60 Ų6037 Ų3739%0.3918%0.181SC..PPolyproline II helixtrans-55146.7170.5-2334.5000110.7N132 V135 R136N132-P167 WeakPolarHBondContact OD1-CA 3.46Å; V135-P167 HydrophobicContact CG1-CG 4.29Å; R136-P167 HydrophobicContact CG-CG 4.24Å
168A97.5Very high95.5Very high4 Ų443 Ų433%0.03322%0.217CC..PPolyproline II helixtrans-57.7140.5171.400000110.4S43 N132 G173 F174S43-A168 VanDerWaalsContact CB-O 3.31Å; S43-A168 WeakPolarHBondContact CB-O 3.41Å; S43-A168 PolarHBondContact OG-O 2.85Å; N132-A168 PolarHBondContact OD1-N 3.04Å; A168-G173 CarbonylContact C-O 3.53Å; A168-G173 VanDerWaalsContact CA-O 3.29Å; A168-G173 WeakPolarHBondContact CA-O 3.49Å; A168-G173 VanDerWaalsContact CB-C 3.5Å; A168-F174 HydrophobicContact CB-CD1 3.63Å; A168-F174 HydrophobicContact CB-CD2 4.45Å; A168-F174 HydrophobicContact CB-CE1 3.6Å; A168-F174 HydrophobicContact CB-CE2 4.42Å; A168-F174 HydrophobicContact CB-CG 4.05Å; A168-F174 HydrophobicContact CB-CZ 3.99Å
169D96.4Very high95.4Very high48 Ų4844.5 Ų44.526%0.25723%0.228SC..BIsolated β-bridgetrans-62.7134.7162.7-176.7-84.9000108.6K49 R128 V171 D172 G173K49-D169 IonicContact NZ-OD2 3.18Å; R128-D169 PolarHBondContact NH2-O 2.87Å; D169-V171 PolarHBondContact O-N 3.33Å; D169-V171 VanDerWaalsContact O-N 3.12Å; D169-V171 WeakPolarHBondContact OD1-CA 3.01Å; D169-V171 WeakPolarHBondContact OD1-CB 3.47Å; D169-V171 PolarHBondContact OD1-N 3.1Å; D169-D172 HydrophobicContact CB-CB 4.13Å; D169-D172 PolarHBondContact OD1-N 3.13Å; D169-G173 PolarHBondContact N-O 3.32Å; D169-G173 WeakPolarHBondContact O-CA 3.35Å; D169-G173 PolarHBondContact O-N 3.31Å
170P96.4Very high95.3Very high8 Ų845.6 Ų45.65%0.05223%0.233CC..THydrogen-bonded Turntrans-49.7-37.7178.9-32.639.5000113.8I40 L45 Y51 F53 R128I40-P170 HydrophobicContact CB-CB 4.34Å; I40-P170 HydrophobicContact CD1-CB 4.28Å; L45-P170 HydrophobicContact CD2-CB 4.07Å; L45-P170 HydrophobicContact CD2-CG 3.71Å; Y51-P170 HydrophobicContact CD1-CB 3.77Å; Y51-P170 HydrophobicContact CD1-CG 3.83Å; Y51-P170 HydrophobicContact CE1-CB 3.98Å; Y51-P170 HydrophobicContact CE1-CG 3.49Å; Y51-P170 VanDerWaalsContact CE1-CG 3.49Å; Y51-P170 HydrophobicContact CG-CB 4.49Å; F53-P170 HydrophobicContact CZ-CB 4.39Å; R128-P170 VanDerWaalsContact NH2-CA 3.27Å; R128-P170 PolarHBondContact NH2-O 3.14Å
171V94.4Very high95.2Very high36 Ų3645.8 Ų45.822%0.21823%0.234CC..THydrogen-bonded Turntrans-90.7-57.9-179.7-171.90000111.5Y51 A52 F53 D169 G173Y51-V171 HydrophobicContact CD1-CG2 4.27Å; A52-V171 VanDerWaalsContact O-CG1 3.32Å; A52-V171 WeakPolarHBondContact O-CG1 3.48Å; F53-V171 HydrophobicContact CD1-CG1 4.42Å; F53-V171 HydrophobicContact CD1-CG2 4.24Å; F53-V171 HydrophobicContact CE1-CB 4.28Å; F53-V171 HydrophobicContact CE1-CG2 3.8Å; F53-V171 HydrophobicContact CE2-CG2 4.46Å; F53-V171 HydrophobicContact CZ-CG2 3.92Å; D169-V171 PolarHBondContact O-N 3.33Å; D169-V171 VanDerWaalsContact O-N 3.12Å; D169-V171 WeakPolarHBondContact OD1-CA 3.01Å; D169-V171 WeakPolarHBondContact OD1-CB 3.47Å; D169-V171 PolarHBondContact OD1-N 3.1Å; V171-G173 PolarHBondContact O-N 3.07Å
172D92.7Very high95.2Very high27 Ų2746.4 Ų46.414%0.14424%0.237CC..THydrogen-bonded Turntrans-82.1-14.9-168.5-62.9-41.4000113.8D169 T304D169-D172 HydrophobicContact CB-CB 4.13Å; D169-D172 PolarHBondContact OD1-N 3.13Å; D172-T304 WeakPolarHBondContact OD1-CB 3.41Å; D172-T304 VanDerWaalsContact OD1-CG2 3.28Å; D172-T304 WeakPolarHBondContact OD1-CG2 3.27Å; D172-T304 PolarHBondContact OD1-OG1 2.91Å
173G94.8Very high95.1Very high16 Ų1646.7 Ų46.717%0.16524%0.239CC..BIsolated β-bridgetrans81.6-152.8-177.500000113A168 D169 V171A168-G173 CarbonylContact C-O 3.53Å; A168-G173 VanDerWaalsContact CA-O 3.29Å; A168-G173 WeakPolarHBondContact CA-O 3.49Å; A168-G173 VanDerWaalsContact CB-C 3.5Å; D169-G173 PolarHBondContact N-O 3.32Å; D169-G173 WeakPolarHBondContact O-CA 3.35Å; D169-G173 PolarHBondContact O-N 3.31Å; V171-G173 PolarHBondContact O-N 3.07Å
174F96Very high95Very high28 Ų2844.9 Ų44.912%0.12323%0.232CC..SBendtrans-72.7146.3-178.6-65.4-67.7000111.9R128 L131 L162 I164 A168 K176R128-F174 HydrophobicContact CB-CE2 4.19Å; R128-F174 HydrophobicContact CB-CZ 4.35Å; R128-F174 HydrophobicContact CG-CE2 4.03Å; R128-F174 HydrophobicContact CG-CZ 3.96Å; L131-F174 HydrophobicContact CB-CE1 4.03Å; L131-F174 HydrophobicContact CB-CE2 4.36Å; L131-F174 HydrophobicContact CB-CZ 3.54Å; L131-F174 HydrophobicContact CD1-CE2 3.66Å; L131-F174 HydrophobicContact CD1-CZ 3.71Å; L131-F174 HydrophobicContact CG-CZ 4.29Å; L162-F174 HydrophobicContact CD2-CB 3.85Å; I164-F174 HydrophobicContact CD1-CB 4.11Å; I164-F174 HydrophobicContact CD1-CD1 3.99Å; I164-F174 HydrophobicContact CD1-CD2 4.39Å; I164-F174 HydrophobicContact CD1-CG 3.9Å; I164-F174 HydrophobicContact CG1-CD1 4.49Å; I164-F174 HydrophobicContact CG2-CD1 3.6Å; I164-F174 HydrophobicContact CG2-CE1 3.68Å; A168-F174 HydrophobicContact CB-CD1 3.63Å; A168-F174 HydrophobicContact CB-CD2 4.45Å; A168-F174 HydrophobicContact CB-CE1 3.6Å; A168-F174 HydrophobicContact CB-CE2 4.42Å; A168-F174 HydrophobicContact CB-CG 4.05Å; A168-F174 HydrophobicContact CB-CZ 3.99Å; F174-K176 WeakPolarHBondContact O-CG 3.38Å; F174-K176 PolarHBondContact O-N 2.85Å
175D93.3Very high94.9Very high77 Ų7745 Ų4541%0.41223%0.234SC..  trans-66.4110.2171.61801000110.5R177D175-R177 PolarHBondContact O-N 3.49Å; D175-R177 VanDerWaalsContact OD1-CG 3.32Å; D175-R177 WeakPolarHBondContact OD1-CG 3.49Å; D175-R177 PolarHBondContact OD1-N 2.82Å; D175-R177 IonicContact OD1-NE 2.78Å; D175-R177 PolarHBondContact OD1-NE 2.88Å; D175-R177 IonicContact OD2-CZ 3.85Å; D175-R177 IonicContact OD2-NE 3.78Å; D175-R177 PolarHBondContact OD2-NE 3.23Å; D175-R177 IonicContact OD2-NH2 3.12Å; D175-R177 PolarHBondContact OD2-NH2 3.03Å
176K91.3Very high94.9Very high85 Ų8542.4 Ų42.437%0.3722%0.222SC..  trans-8337.9-172-56.8170.7-169.6162.70112.4F174 V178 P179 E299F174-K176 WeakPolarHBondContact O-CG 3.38Å; F174-K176 PolarHBondContact O-N 2.85Å; K176-V178 PolarHBondContact O-N 2.67Å; K176-P179 WeakPolarHBondContact O-CD 3.36Å; K176-E299 IonicContact NZ-OE1 3.46Å; K176-E299 PolarHBondContact NZ-OE1 3.4Å
177R85.4Confident94.8Very high124 Ų12438.3 Ų38.347%0.46821%0.211SC..SBendtrans-70.1119.8176.7-85.9-177.3-65.8135.914.6110.8E165 D175E165-R177 IonicContact OE2-CZ 2.87Å; E165-R177 IonicContact OE2-NH1 3.83Å; E165-R177 IonicContact OE2-NH2 3.97Å; E165-R177 PolarHBondContact OE2-NH2 2.89Å; E165-R177 VanDerWaalsContact OE2-NH2 3.14Å; D175-R177 PolarHBondContact O-N 3.49Å; D175-R177 VanDerWaalsContact OD1-CG 3.32Å; D175-R177 WeakPolarHBondContact OD1-CG 3.49Å; D175-R177 PolarHBondContact OD1-N 2.82Å; D175-R177 IonicContact OD1-NE 2.78Å; D175-R177 PolarHBondContact OD1-NE 2.88Å; D175-R177 IonicContact OD2-CZ 3.85Å; D175-R177 IonicContact OD2-NE 3.78Å; D175-R177 PolarHBondContact OD2-NE 3.23Å; D175-R177 IonicContact OD2-NH2 3.12Å; D175-R177 PolarHBondContact OD2-NH2 3.03Å
178V89.9Confident94.7Very high127 Ų12737.4 Ų37.477%0.7721%0.207SC*.SBendtrans52.658.7171.9-161.20000114K176K176-V178 PolarHBondContact O-N 2.67Å
179P95.8Very high94.7Very high37 Ų3737.4 Ų37.424%0.2421%0.206CC..  trans-69.6153.7172.932.9-35.1000110.6I153 A161 L162 K176 V181I153-P179 HydrophobicContact CG2-CB 3.76Å; A161-P179 WeakPolarHBondContact O-CA 3.09Å; L162-P179 HydrophobicContact CD1-CB 4.2Å; K176-P179 WeakPolarHBondContact O-CD 3.36Å; P179-V181 HydrophobicContact CB-CG2 3.79Å; P179-V181 HydrophobicContact CG-CG2 3.81Å
180I96.3Very high94.7Very high23 Ų2338.6 Ų38.612%0.11822%0.218CC..EExtended strand (participates in β ladder)trans-90.5124159.9-61.1169.9000106S160 A161 Y182 L203 A206 L207 R210S160-I180 CarbonylContact C-O 3.51Å; S160-I180 WeakPolarHBondContact CA-O 3.32Å; S160-I180 VanDerWaalsContact CB-O 3.29Å; S160-I180 WeakPolarHBondContact CB-O 3.48Å; A161-I180 PolarHBondContact N-O 2.85Å; A161-I180 PolarHBondContact O-N 2.83Å; I180-Y182 HydrophobicContact CG2-CD2 4.42Å; I180-Y182 HydrophobicContact CG2-CE1 4.48Å; I180-Y182 HydrophobicContact CG2-CE2 3.73Å; I180-L203 HydrophobicContact CB-CD1 4.19Å; I180-L203 HydrophobicContact CG2-CD1 3.75Å; I180-A206 HydrophobicContact CD1-CB 4.19Å; I180-L207 HydrophobicContact CD1-CD2 4.04Å; I180-R210 VanDerWaalsContact CD1-NH2 3.35Å
181V97Very high94.6Very high6 Ų640.2 Ų40.24%0.03624%0.236CC..EExtended strand (participates in β ladder)trans-134.2125.1-177.1-175.90000108.9C154 T158 P179 N379 V380 F383C154-V181 HydrophobicContact CB-CG1 4.08Å; C154-V181 HydrophobicContact CB-CG2 4.21Å; T158-V181 HydrophobicContact CG2-CG1 3.85Å; P179-V181 HydrophobicContact CB-CG2 3.79Å; P179-V181 HydrophobicContact CG-CG2 3.81Å; V181-N379 PolarHBondContact N-OD1 2.89Å; V181-N379 WeakPolarHBondContact O-CA 3.48Å; V181-N379 PolarHBondContact O-OD1 2.81Å; V181-V380 HydrophobicContact CB-CG2 3.73Å; V181-V380 HydrophobicContact CG1-CG2 3.63Å; V181-V380 PolarHBondContact O-N 3.45Å; V181-F383 HydrophobicContact CG1-CE2 4.19Å; V181-F383 HydrophobicContact CG1-CZ 4.35Å
182Y96.8Very high94.6Very high12 Ų1239.1 Ų39.15%0.04723%0.229CC..EExtended strand (participates in β ladder)trans-110.1133.7169.7-61.1-59.7000110T158 I159 I180 F184 L199 R202 L203 G377 T378 N379T158-Y182 WeakPolarHBondContact CA-O 3.46Å; I159-Y182 PolarHBondContact N-O 2.83Å; I159-Y182 PolarHBondContact O-N 3.16Å; I180-Y182 HydrophobicContact CG2-CD2 4.42Å; I180-Y182 HydrophobicContact CG2-CE1 4.48Å; I180-Y182 HydrophobicContact CG2-CE2 3.73Å; Y182-F184 PolarHBondContact O-N 2.98Å; Y182-L199 HydrophobicContact CG-CD2 4.3Å; Y182-R202 HydrophobicContact CE1-CG 4.16Å; Y182-R202 HydrophobicContact CE2-CB 4.43Å; Y182-R202 HydrophobicContact CE2-CG 4.14Å; Y182-L203 HydrophobicContact CD2-CB 4.11Å; Y182-L203 HydrophobicContact CD2-CD1 4.35Å; Y182-L203 HydrophobicContact CE2-CB 3.85Å; Y182-L203 HydrophobicContact CE2-CD1 3.89Å; Y182-L203 HydrophobicContact CE2-CG 4.47Å; Y182-G377 WeakPolarHBondContact CE1-O 3.39Å; Y182-T378 WeakPolarHBondContact CD1-O 3.33Å; Y182-N379 HydrophobicContact CE1-CB 4.38Å
183S96.1Very high94.8Very high8 Ų840.1 Ų40.16%0.05623%0.234CC..EExtended strand (participates in β ladder)trans-78.3109.9174.3178.50000109.7T414S183-T414 WeakPolarHBondContact OG-CG2 3.26Å
184F96.7Very high94.8Very high4 Ų441.8 Ų41.82%0.01824%0.242CC..  trans-85-31.3169.7174.6-120.2000111.8V148 G157 I159 Y182 H186 S188 N192 L195 Y196 L199V148-F184 HydrophobicContact CB-CD1 3.83Å; V148-F184 HydrophobicContact CB-CE1 4.41Å; V148-F184 HydrophobicContact CG1-CB 4.15Å; V148-F184 HydrophobicContact CG1-CD1 3.59Å; V148-F184 HydrophobicContact CG1-CE1 4.33Å; V148-F184 HydrophobicContact CG1-CG 4.1Å; V148-F184 HydrophobicContact CG2-CD1 3.97Å; V148-F184 HydrophobicContact CG2-CE1 4.03Å; G157-F184 CarbonylContact O-C 3.52Å; G157-F184 WeakPolarHBondContact O-CA 3.44Å; G157-F184 WeakPolarHBondContact O-CB 3.46Å; G157-F184 PolarHBondContact O-N 3.25Å; I159-F184 HydrophobicContact CG1-CB 4.42Å; Y182-F184 PolarHBondContact O-N 2.98Å; F184-H186 VanDerWaalsContact C-N 3.31Å; F184-H186 HydrophobicContact CD1-CB 4.12Å; F184-H186 WeakPolarHBondContact CD1-O 3.17Å; F184-H186 HydrophobicContact CE1-CB 3.65Å; F184-H186 WeakPolarHBondContact CE1-O 3.25Å; F184-H186 HydrophobicContact CZ-CB 4.22Å; F184-H186 AromaticContact CZ-CD2 3.97Å; F184-H186 PolarHBondContact O-CD2 3.04Å; F184-H186 PolarHBondContact O-N 3.19Å; F184-S188 WeakPolarHBondContact CE1-O 3.35Å; F184-N192 HydrophobicContact CE2-CB 4.02Å; F184-N192 VanDerWaalsContact CE2-O 3.27Å; F184-N192 WeakPolarHBondContact CE2-O 3.14Å; F184-N192 HydrophobicContact CZ-CB 4.25Å; F184-L195 HydrophobicContact CD2-CD2 3.93Å; F184-L195 HydrophobicContact CD2-CG 4Å; F184-L195 HydrophobicContact CE2-CB 4.25Å; F184-L195 HydrophobicContact CE2-CD2 4.19Å; F184-L195 HydrophobicContact CE2-CG 4.22Å; F184-Y196 HydrophobicContact CD2-CD2 4.45Å; F184-Y196 HydrophobicContact CE1-CD2 4.42Å; F184-Y196 HydrophobicContact CE2-CD2 4.33Å; F184-Y196 HydrophobicContact CE2-CG 4.5Å; F184-Y196 HydrophobicContact CZ-CD2 4.31Å; F184-L199 HydrophobicContact CB-CD1 3.81Å; F184-L199 HydrophobicContact CD2-CD1 4.05Å; F184-L199 HydrophobicContact CG-CD1 4.42Å
185G95.3Very high94.8Very high6 Ų640.5 Ų40.56%0.06224%0.237CC..  trans85.5-12.9171.200000115.8G157 D415G157-G185 PolarHBondContact O-N 3.12Å; G185-D415 PolarHBondContact O-N 2.77Å
186H96.1Very high95Very high29 Ų2937.1 Ų37.113%0.13422%0.218CC..SBendtrans-122.2147.3178.4-49.9-83.5000112.1G157 F184 S188 D415G157-H186 WeakPolarHBondContact CA-O 3.16Å; F184-H186 VanDerWaalsContact C-N 3.31Å; F184-H186 HydrophobicContact CD1-CB 4.12Å; F184-H186 WeakPolarHBondContact CD1-O 3.17Å; F184-H186 HydrophobicContact CE1-CB 3.65Å; F184-H186 WeakPolarHBondContact CE1-O 3.25Å; F184-H186 HydrophobicContact CZ-CB 4.22Å; F184-H186 AromaticContact CZ-CD2 3.97Å; F184-H186 PolarHBondContact O-CD2 3.04Å; F184-H186 PolarHBondContact O-N 3.19Å; H186-S188 PolarHBondContact O-N 3.24Å; H186-D415 IonicContact CE1-OD2 2.63Å; H186-D415 PolarHBondContact CE1-OD2 2.67Å; H186-D415 IonicContact ND1-OD2 2.65Å; H186-D415 PolarHBondContact ND1-OD2 3.03Å
187A95.3Very high95.2Very high39 Ų3935.4 Ų35.432%0.32221%0.211SC..SBendtrans-79.34.8179.800000114.5G149 I416G149-A187 WeakPolarHBondContact CA-O 3.21Å; A187-I416 HydrophobicContact CB-CD1 4.01Å
188S96.2Very high95.7Very high42 Ų4231.9 Ų31.929%0.29421%0.208SC..SBendtrans-150.9138.4178.3173.80000109.5F184 H186 S190 G191F184-S188 WeakPolarHBondContact CE1-O 3.35Å; H186-S188 PolarHBondContact O-N 3.24Å; S188-S190 WeakPolarHBondContact CB-OG 3.38Å; S188-S190 PolarHBondContact O-N 3.38Å; S188-S190 PolarHBondContact OG-N 3.35Å; S188-S190 PolarHBondContact OG-OG 3.41Å; S188-G191 PolarHBondContact O-N 2.9Å
189P97.2Very high96.1Very high3 Ų326 Ų262%0.01917%0.172CC..G310 helixtrans-54-27.7176.3-25.535.2000113.3V148 G191 N192 L193 Y196 C227 W229V148-P189 HydrophobicContact CG2-CG 4.05Å; P189-G191 PolarHBondContact O-N 3.26Å; P189-G191 VanDerWaalsContact O-N 3.07Å; P189-N192 CarbonylContact O-C 3.51Å; P189-N192 PolarHBondContact O-N 3.22Å; P189-N192 VanDerWaalsContact O-N 3.12Å; P189-L193 HydrophobicContact CB-CD2 4.12Å; P189-L193 PolarHBondContact O-N 2.96Å; P189-Y196 HydrophobicContact CB-CD1 4.09Å; P189-Y196 HydrophobicContact CB-CD2 3.96Å; P189-Y196 HydrophobicContact CB-CE1 4.28Å; P189-Y196 HydrophobicContact CB-CE2 4.18Å; P189-Y196 HydrophobicContact CB-CG 3.92Å; P189-Y196 HydrophobicContact CG-CD2 4.09Å; P189-Y196 HydrophobicContact CG-CE1 4.37Å; P189-Y196 HydrophobicContact CG-CE2 3.84Å; P189-Y196 HydrophobicContact CG-CG 4.48Å; P189-C227 HydrophobicContact CG-CB 4.47Å; P189-W229 HydrophobicContact CB-CE3 4.22Å; P189-W229 HydrophobicContact CB-CZ3 4.13Å; P189-W229 HydrophobicContact CG-CE3 4.4Å
190S96.1Very high96.2Very high74 Ų7424.3 Ų24.352%0.51716%0.161SC..G310 helixtrans-59.1-18.8176.466.80000114.2S188 N192S188-S190 WeakPolarHBondContact CB-OG 3.38Å; S188-S190 PolarHBondContact O-N 3.38Å; S188-S190 PolarHBondContact OG-N 3.35Å; S188-S190 PolarHBondContact OG-OG 3.41Å; S190-N192 VanDerWaalsContact C-N 3.31Å
191G94.4Very high96.2Very high41 Ų4126.1 Ų26.142%0.42317%0.171SC..G310 helixtrans-64.9-34.2175.700000113S188 P189S188-G191 PolarHBondContact O-N 2.9Å; P189-G191 PolarHBondContact O-N 3.26Å; P189-G191 VanDerWaalsContact O-N 3.07Å
192N95.1Very high96.2Very high13 Ų1329.7 Ų29.77%0.0718%0.184CC..  trans-16681-178.5-166.8-24.1000111.4F184 P189 S190 L195 Y196 S346F184-N192 HydrophobicContact CE2-CB 4.02Å; F184-N192 VanDerWaalsContact CE2-O 3.27Å; F184-N192 WeakPolarHBondContact CE2-O 3.14Å; F184-N192 HydrophobicContact CZ-CB 4.25Å; P189-N192 CarbonylContact O-C 3.51Å; P189-N192 PolarHBondContact O-N 3.22Å; P189-N192 VanDerWaalsContact O-N 3.12Å; S190-N192 VanDerWaalsContact C-N 3.31Å; N192-L195 HydrophobicContact CB-CB 4.01Å; N192-L195 HydrophobicContact CB-CD2 4.48Å; N192-L195 PolarHBondContact O-N 3.37Å; N192-L195 VanDerWaalsContact OD1-CB 3.29Å; N192-L195 WeakPolarHBondContact OD1-CB 3.42Å; N192-L195 PolarHBondContact OD1-N 2.91Å; N192-Y196 WeakPolarHBondContact O-CB 3.34Å; N192-Y196 PolarHBondContact O-N 2.71Å; N192-S346 PolarHBondContact ND2-O 2.96Å; N192-S346 WeakPolarHBondContact OD1-CB 3.49Å
193L95.8Very high96.2Very high48 Ų4829.1 Ų29.125%0.25118%0.181SC..Hα-helixtrans-59.5-44.5-176.4-73.5168.1000114P189 L195 Y196 F197 W229 A233 C237P189-L193 HydrophobicContact CB-CD2 4.12Å; P189-L193 PolarHBondContact O-N 2.96Å; L193-L195 VanDerWaalsContact C-N 3.34Å; L193-L195 PolarHBondContact O-N 3.44Å; L193-Y196 WeakPolarHBondContact O-CB 3.45Å; L193-Y196 PolarHBondContact O-N 3.08Å; L193-Y196 VanDerWaalsContact O-N 3.15Å; L193-F197 HydrophobicContact CB-CD2 4.49Å; L193-F197 HydrophobicContact CB-CE2 4.05Å; L193-F197 HydrophobicContact CD2-CE2 4.42Å; L193-F197 HydrophobicContact CD2-CZ 4.36Å; L193-F197 WeakPolarHBondContact O-CD2 3.4Å; L193-F197 WeakPolarHBondContact O-CG 3.26Å; L193-F197 PolarHBondContact O-N 3.46Å; L193-W229 HydrophobicContact CD2-CZ3 4.23Å; L193-A233 HydrophobicContact CD1-CB 3.76Å; L193-C237 VanDerWaalsContact CD2-SG 3.56Å
194P95.1Very high96.3Very high51 Ų5129 Ų2933%0.33118%0.182SC..Hα-helixtrans-59.9-42.4178-26.537.2000112.8F197 A198 S346 T347P194-F197 PolarHBondContact O-N 3.11Å; P194-A198 WeakPolarHBondContact O-CB 3.45Å; P194-A198 PolarHBondContact O-N 3.29Å; P194-S346 WeakPolarHBondContact CB-OG 3.41Å; P194-S346 WeakPolarHBondContact CG-OG 3.3Å; P194-T347 HydrophobicContact CB-CG2 4.36Å
195L95.1Very high96.3Very high2 Ų234.7 Ų34.71%0.0121%0.206CC..Hα-helixtrans-63.5-44173.9178.462.3000111.5F184 N192 L193 F197 A198 L199 I326 T347 L376F184-L195 HydrophobicContact CD2-CD2 3.93Å; F184-L195 HydrophobicContact CD2-CG 4Å; F184-L195 HydrophobicContact CE2-CB 4.25Å; F184-L195 HydrophobicContact CE2-CD2 4.19Å; F184-L195 HydrophobicContact CE2-CG 4.22Å; N192-L195 HydrophobicContact CB-CB 4.01Å; N192-L195 HydrophobicContact CB-CD2 4.48Å; N192-L195 PolarHBondContact O-N 3.37Å; N192-L195 VanDerWaalsContact OD1-CB 3.29Å; N192-L195 WeakPolarHBondContact OD1-CB 3.42Å; N192-L195 PolarHBondContact OD1-N 2.91Å; L193-L195 VanDerWaalsContact C-N 3.34Å; L193-L195 PolarHBondContact O-N 3.44Å; L195-F197 VanDerWaalsContact C-N 3.32Å; L195-F197 PolarHBondContact O-N 2.96Å; L195-A198 PolarHBondContact O-N 2.65Å; L195-L199 HydrophobicContact CD1-CD1 4.28Å; L195-L199 HydrophobicContact CD1-CD2 4.41Å; L195-L199 HydrophobicContact CD1-CG 4.05Å; L195-L199 HydrophobicContact CG-CD1 4.17Å; L195-L199 HydrophobicContact CG-CG 4.32Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 3.18Å; L195-I326 HydrophobicContact CD1-CD1 4.44Å; L195-I326 HydrophobicContact CD1-CG2 3.95Å; L195-I326 HydrophobicContact CD2-CB 4.11Å; L195-I326 HydrophobicContact CD2-CD1 4.27Å; L195-I326 HydrophobicContact CD2-CG2 3.65Å; L195-I326 HydrophobicContact CG-CG2 4.31Å; L195-T347 HydrophobicContact CB-CG2 4.42Å; L195-L376 HydrophobicContact CD1-CD2 4.19Å
196Y97.2Very high96.4Very high5 Ų535.6 Ų35.62%0.0221%0.213CC..Hα-helixtrans-54.9-50.1178.5-178.5-101.5000110.6L146 V148 I159 F184 P189 N192 L193 A198 L199 L200 C237L146-Y196 PolarHBondContact O-OH 3.42Å; V148-Y196 HydrophobicContact CG1-CD2 4.22Å; V148-Y196 HydrophobicContact CG1-CE2 3.92Å; I159-Y196 HydrophobicContact CD1-CD2 3.55Å; I159-Y196 HydrophobicContact CD1-CE2 3.58Å; I159-Y196 HydrophobicContact CD1-CG 4.43Å; I159-Y196 HydrophobicContact CG1-CD2 4.45Å; I159-Y196 HydrophobicContact CG1-CE2 4.21Å; F184-Y196 HydrophobicContact CD2-CD2 4.45Å; F184-Y196 HydrophobicContact CE1-CD2 4.42Å; F184-Y196 HydrophobicContact CE2-CD2 4.33Å; F184-Y196 HydrophobicContact CE2-CG 4.5Å; F184-Y196 HydrophobicContact CZ-CD2 4.31Å; P189-Y196 HydrophobicContact CB-CD1 4.09Å; P189-Y196 HydrophobicContact CB-CD2 3.96Å; P189-Y196 HydrophobicContact CB-CE1 4.28Å; P189-Y196 HydrophobicContact CB-CE2 4.18Å; P189-Y196 HydrophobicContact CB-CG 3.92Å; P189-Y196 HydrophobicContact CG-CD2 4.09Å; P189-Y196 HydrophobicContact CG-CE1 4.37Å; P189-Y196 HydrophobicContact CG-CE2 3.84Å; P189-Y196 HydrophobicContact CG-CG 4.48Å; N192-Y196 WeakPolarHBondContact O-CB 3.34Å; N192-Y196 PolarHBondContact O-N 2.71Å; L193-Y196 WeakPolarHBondContact O-CB 3.45Å; L193-Y196 PolarHBondContact O-N 3.08Å; L193-Y196 VanDerWaalsContact O-N 3.15Å; Y196-A198 PolarHBondContact O-N 2.9Å; Y196-L199 PolarHBondContact O-N 3.16Å; Y196-L200 HydrophobicContact CD1-CD1 4.18Å; Y196-L200 HydrophobicContact CD1-CG 4.33Å; Y196-L200 HydrophobicContact CE1-CD1 3.68Å; Y196-L200 HydrophobicContact CE1-CD2 4.24Å; Y196-L200 HydrophobicContact CE1-CG 4.07Å; Y196-L200 HydrophobicContact CE2-CD2 4.42Å; Y196-L200 WeakPolarHBondContact O-CG 3.22Å; Y196-L200 PolarHBondContact O-N 3.06Å; Y196-C237 HydrophobicContact CE1-CB 3.98Å
197F97.4Very high96.5Very high50 Ų5034.3 Ų34.322%0.21921%0.207CC..Hα-helixtrans-63.3-41.4177.7-63.6-49.6000113.3L193 P194 L195 L199 L200 D201 T236 T240L193-F197 HydrophobicContact CB-CD2 4.49Å; L193-F197 HydrophobicContact CB-CE2 4.05Å; L193-F197 HydrophobicContact CD2-CE2 4.42Å; L193-F197 HydrophobicContact CD2-CZ 4.36Å; L193-F197 WeakPolarHBondContact O-CD2 3.4Å; L193-F197 WeakPolarHBondContact O-CG 3.26Å; L193-F197 PolarHBondContact O-N 3.46Å; P194-F197 PolarHBondContact O-N 3.11Å; L195-F197 VanDerWaalsContact C-N 3.32Å; L195-F197 PolarHBondContact O-N 2.96Å; F197-L199 VanDerWaalsContact C-N 3.28Å; F197-L199 PolarHBondContact O-N 2.99Å; F197-L200 HydrophobicContact CD1-CD1 4.35Å; F197-L200 WeakPolarHBondContact O-CB 3.17Å; F197-L200 PolarHBondContact O-N 3.32Å; F197-D201 PolarHBondContact O-N 3.2Å; F197-T236 HydrophobicContact CZ-CG2 4.17Å; F197-T240 HydrophobicContact CD1-CG2 3.54Å; F197-T240 HydrophobicContact CE1-CG2 3.74Å; F197-T240 HydrophobicContact CG-CG2 4.36Å
198A95.5Very high96.5Very high49 Ų4935.3 Ų35.341%0.40521%0.209SC..Hα-helixtrans-60.7-39175.700000112P194 L195 Y196 R202P194-A198 WeakPolarHBondContact O-CB 3.45Å; P194-A198 PolarHBondContact O-N 3.29Å; L195-A198 PolarHBondContact O-N 2.65Å; Y196-A198 PolarHBondContact O-N 2.9Å; A198-R202 WeakPolarHBondContact O-CB 3.34Å; A198-R202 PolarHBondContact O-N 3.31Å
199L96.9Very high96.5Very high5 Ų538.5 Ų38.53%0.02622%0.223CC..Hα-helixtrans-71.8-33.7176.8-67.5-176.7000112.9I159 Y182 F184 L195 Y196 F197 R202 L203I159-L199 HydrophobicContact CD1-CB 3.79Å; I159-L199 HydrophobicContact CD1-CD1 4.33Å; Y182-L199 HydrophobicContact CG-CD2 4.3Å; F184-L199 HydrophobicContact CB-CD1 3.81Å; F184-L199 HydrophobicContact CD2-CD1 4.05Å; F184-L199 HydrophobicContact CG-CD1 4.42Å; L195-L199 HydrophobicContact CD1-CD1 4.28Å; L195-L199 HydrophobicContact CD1-CD2 4.41Å; L195-L199 HydrophobicContact CD1-CG 4.05Å; L195-L199 HydrophobicContact CG-CD1 4.17Å; L195-L199 HydrophobicContact CG-CG 4.32Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 3.18Å; Y196-L199 PolarHBondContact O-N 3.16Å; F197-L199 VanDerWaalsContact C-N 3.28Å; F197-L199 PolarHBondContact O-N 2.99Å; L199-R202 PolarHBondContact O-N 3.25Å; L199-L203 WeakPolarHBondContact O-CB 3.39Å; L199-L203 PolarHBondContact O-N 3.49Å
200L98.2Very high96.5Very high0 Ų041 Ų410%023%0.232CC..Hα-helixtrans-60.3-50.5171.6-64.3-169000111L146 I159 Y196 F197 R202 L203 A204 A241 I244 F245L146-L200 HydrophobicContact CB-CD2 4.45Å; L146-L200 HydrophobicContact CD1-CD2 3.95Å; L146-L200 HydrophobicContact CD2-CD2 3.59Å; L146-L200 HydrophobicContact CG-CD2 4.2Å; I159-L200 HydrophobicContact CD1-CD2 3.94Å; I159-L200 HydrophobicContact CG2-CD2 4.22Å; Y196-L200 HydrophobicContact CD1-CD1 4.18Å; Y196-L200 HydrophobicContact CD1-CG 4.33Å; Y196-L200 HydrophobicContact CE1-CD1 3.68Å; Y196-L200 HydrophobicContact CE1-CD2 4.24Å; Y196-L200 HydrophobicContact CE1-CG 4.07Å; Y196-L200 HydrophobicContact CE2-CD2 4.42Å; Y196-L200 WeakPolarHBondContact O-CG 3.22Å; Y196-L200 PolarHBondContact O-N 3.06Å; F197-L200 HydrophobicContact CD1-CD1 4.35Å; F197-L200 WeakPolarHBondContact O-CB 3.17Å; F197-L200 PolarHBondContact O-N 3.32Å; L200-R202 VanDerWaalsContact C-N 3.32Å; L200-R202 PolarHBondContact O-N 3.4Å; L200-L203 PolarHBondContact O-N 3.44Å; L200-A204 WeakPolarHBondContact O-CB 3.33Å; L200-A204 PolarHBondContact O-N 2.88Å; L200-A241 HydrophobicContact CD1-CB 4.01Å; L200-I244 HydrophobicContact CB-CD1 3.87Å; L200-I244 HydrophobicContact CB-CG2 4.24Å; L200-I244 HydrophobicContact CD1-CD1 4.46Å; L200-F245 HydrophobicContact CB-CE2 4.23Å; L200-F245 HydrophobicContact CD2-CE2 4.21Å
201D97.2Very high96.5Very high62 Ų6238 Ų3833%0.33221%0.21SC..Hα-helixtrans-59.3-43.9178.5170.977.7000111.3F197 L203 A204 K205 I244F197-D201 PolarHBondContact O-N 3.2Å; D201-L203 PolarHBondContact O-N 3.02Å; D201-A204 PolarHBondContact O-N 3.23Å; D201-K205 VanDerWaalsContact CG-NZ 3.31Å; D201-K205 WeakPolarHBondContact O-CB 3.43Å; D201-K205 WeakPolarHBondContact O-CG 3.32Å; D201-K205 PolarHBondContact O-N 2.71Å; D201-K205 WeakPolarHBondContact OD1-CE 3.32Å; D201-K205 IonicContact OD1-NZ 2.99Å; D201-K205 PolarHBondContact OD1-NZ 2.65Å; D201-K205 VanDerWaalsContact OD2-CE 3.23Å; D201-K205 WeakPolarHBondContact OD2-CE 3.46Å; D201-K205 IonicContact OD2-NZ 2.75Å; D201-K205 PolarHBondContact OD2-NZ 2.84Å; D201-I244 HydrophobicContact CB-CD1 4.42Å
202R96.1Very high96.6Very high80 Ų8039.8 Ų39.830%0.30222%0.216SC..Hα-helixtrans-61.2-44.3176.6-169.365.7169.8-154.9-2.8112.1Y182 A198 L199 L200 K205 A206 E374 G377Y182-R202 HydrophobicContact CE1-CG 4.16Å; Y182-R202 HydrophobicContact CE2-CB 4.43Å; Y182-R202 HydrophobicContact CE2-CG 4.14Å; A198-R202 WeakPolarHBondContact O-CB 3.34Å; A198-R202 PolarHBondContact O-N 3.31Å; L199-R202 PolarHBondContact O-N 3.25Å; L200-R202 VanDerWaalsContact C-N 3.32Å; L200-R202 PolarHBondContact O-N 3.4Å; R202-K205 PolarHBondContact O-N 2.95Å; R202-A206 PolarHBondContact O-N 3.43Å; R202-E374 IonicContact CZ-OE1 3.05Å; R202-E374 IonicContact CZ-OE2 2.84Å; R202-E374 VanDerWaalsContact CZ-OE2 3.3Å; R202-E374 IonicContact NH1-OE1 3.84Å; R202-E374 PolarHBondContact NH1-OE1 2.94Å; R202-E374 IonicContact NH1-OE2 3.44Å; R202-E374 PolarHBondContact NH1-OE2 3.46Å; R202-E374 IonicContact NH2-OE1 3.65Å; R202-E374 IonicContact NH2-OE2 2.77Å; R202-E374 PolarHBondContact NH2-OE2 2.61Å; R202-G377 PolarHBondContact NE-O 3.15Å
203L97.9Very high96.7Very high0 Ų047.5 Ų47.50%025%0.249CC..Hα-helixtrans-64.4-46.1177.2-175.658.7000111.7V144 L146 I159 A161 I180 Y182 L199 L200 D201 K205 A206 L207 F245V144-L203 HydrophobicContact CG1-CD2 3.96Å; L146-L203 HydrophobicContact CD2-CD2 4.24Å; I159-L203 HydrophobicContact CG2-CD2 3.65Å; A161-L203 HydrophobicContact CB-CD1 3.88Å; A161-L203 HydrophobicContact CB-CD2 4.31Å; I180-L203 HydrophobicContact CB-CD1 4.19Å; I180-L203 HydrophobicContact CG2-CD1 3.75Å; Y182-L203 HydrophobicContact CD2-CB 4.11Å; Y182-L203 HydrophobicContact CD2-CD1 4.35Å; Y182-L203 HydrophobicContact CE2-CB 3.85Å; Y182-L203 HydrophobicContact CE2-CD1 3.89Å; Y182-L203 HydrophobicContact CE2-CG 4.47Å; L199-L203 WeakPolarHBondContact O-CB 3.39Å; L199-L203 PolarHBondContact O-N 3.49Å; L200-L203 PolarHBondContact O-N 3.44Å; D201-L203 PolarHBondContact O-N 3.02Å; L203-K205 VanDerWaalsContact C-N 3.32Å; L203-K205 PolarHBondContact O-N 3.14Å; L203-A206 PolarHBondContact O-N 3.26Å; L203-L207 HydrophobicContact CD1-CD1 4.36Å; L203-L207 HydrophobicContact CD1-CG 4.16Å; L203-L207 HydrophobicContact CG-CD1 4.19Å; L203-L207 HydrophobicContact CG-CG 4.37Å; L203-L207 VanDerWaalsContact O-CG 3.31Å; L203-L207 WeakPolarHBondContact O-CG 3.45Å; L203-L207 PolarHBondContact O-N 3.1Å; L203-F245 HydrophobicContact CB-CZ 4.27Å; L203-F245 HydrophobicContact CD2-CZ 4.18Å; L203-F245 HydrophobicContact CG-CE1 4.34Å; L203-F245 HydrophobicContact CG-CZ 4.23Å
204A98.2Very high96.7Very high7 Ų747.8 Ų47.86%0.05825%0.251CS..Hα-helixtrans-58.9-42.9177.400000112L200 D201 L207 T208 I244 F245L200-A204 WeakPolarHBondContact O-CB 3.33Å; L200-A204 PolarHBondContact O-N 2.88Å; D201-A204 PolarHBondContact O-N 3.23Å; A204-L207 PolarHBondContact O-N 3.16Å; A204-T208 WeakPolarHBondContact O-CB 3.36Å; A204-T208 PolarHBondContact O-N 3.27Å; A204-T208 PolarHBondContact O-OG1 2.93Å; A204-T208 VanDerWaalsContact O-OG1 3.08Å; A204-I244 HydrophobicContact CB-CG2 3.52Å; A204-F245 HydrophobicContact CB-CD1 4Å; A204-F245 HydrophobicContact CB-CE1 3.91Å; A204-F245 HydrophobicContact CB-CG 4.43Å; A204-F245 HydrophobicContact CB-CZ 4.26Å
205K97.1Very high96.8Very high123 Ų12349.1 Ų49.154%0.53526%0.261SS..Hα-helixtrans-61.3-45.3174.7-74.5169.6178.5165.90112.5D201 R202 L203 L207 T208 L209D201-K205 VanDerWaalsContact CG-NZ 3.31Å; D201-K205 WeakPolarHBondContact O-CB 3.43Å; D201-K205 WeakPolarHBondContact O-CG 3.32Å; D201-K205 PolarHBondContact O-N 2.71Å; D201-K205 WeakPolarHBondContact OD1-CE 3.32Å; D201-K205 IonicContact OD1-NZ 2.99Å; D201-K205 PolarHBondContact OD1-NZ 2.65Å; D201-K205 VanDerWaalsContact OD2-CE 3.23Å; D201-K205 WeakPolarHBondContact OD2-CE 3.46Å; D201-K205 IonicContact OD2-NZ 2.75Å; D201-K205 PolarHBondContact OD2-NZ 2.84Å; R202-K205 PolarHBondContact O-N 2.95Å; L203-K205 VanDerWaalsContact C-N 3.32Å; L203-K205 PolarHBondContact O-N 3.14Å; K205-L207 VanDerWaalsContact C-N 3.32Å; K205-L207 PolarHBondContact O-N 3.4Å; K205-T208 PolarHBondContact O-N 3.5Å; K205-L209 PolarHBondContact O-N 3.22Å
206A96.2Very high96.9Very high25 Ų2550.7 Ų50.721%0.20728%0.275CS..Hα-helixtrans-62.6-39.4177.500000112.2I180 R202 L203 L209 R210I180-A206 HydrophobicContact CD1-CB 4.19Å; R202-A206 PolarHBondContact O-N 3.43Å; L203-A206 PolarHBondContact O-N 3.26Å; A206-L209 PolarHBondContact O-N 3.44Å; A206-R210 PolarHBondContact O-N 2.95Å
207L97.5Very high96.9Very high1 Ų150.5 Ų50.51%0.00527%0.274CS..Hα-helixtrans-72.1-39.9177.3-65.9-175.5000112.7T142 V144 A161 I180 L203 A204 K205 L209 R210 C211 F222 F245T142-L207 HydrophobicContact CG2-CD1 4.2Å; T142-L207 HydrophobicContact CG2-CD2 3.85Å; V144-L207 HydrophobicContact CG2-CD1 3.51Å; A161-L207 HydrophobicContact CB-CD1 4.01Å; A161-L207 HydrophobicContact CB-CD2 3.85Å; A161-L207 HydrophobicContact CB-CG 4.38Å; I180-L207 HydrophobicContact CD1-CD2 4.04Å; L203-L207 HydrophobicContact CD1-CD1 4.36Å; L203-L207 HydrophobicContact CD1-CG 4.16Å; L203-L207 HydrophobicContact CG-CD1 4.19Å; L203-L207 HydrophobicContact CG-CG 4.37Å; L203-L207 VanDerWaalsContact O-CG 3.31Å; L203-L207 WeakPolarHBondContact O-CG 3.45Å; L203-L207 PolarHBondContact O-N 3.1Å; A204-L207 PolarHBondContact O-N 3.16Å; K205-L207 VanDerWaalsContact C-N 3.32Å; K205-L207 PolarHBondContact O-N 3.4Å; L207-L209 VanDerWaalsContact C-N 3.29Å; L207-L209 PolarHBondContact O-N 3.26Å; L207-R210 WeakPolarHBondContact O-CB 3.42Å; L207-R210 PolarHBondContact O-N 3.2Å; L207-R210 VanDerWaalsContact O-N 3.14Å; L207-C211 PolarHBondContact O-N 2.84Å; L207-C211 PolarHBondContact O-SG 3.38Å; L207-C211 VanDerWaalsContact O-SG 3.33Å; L207-F222 HydrophobicContact CB-CE1 4.29Å; L207-F222 HydrophobicContact CB-CE2 4.25Å; L207-F222 HydrophobicContact CB-CZ 3.66Å; L207-F222 HydrophobicContact CD1-CE1 4.42Å; L207-F222 HydrophobicContact CD1-CE2 4.27Å; L207-F222 HydrophobicContact CD1-CZ 4.15Å; L207-F245 HydrophobicContact CD1-CE1 4.14Å
208T96.9Very high96.9Very high60 Ų6049.8 Ų49.837%0.36827%0.273SS..Hα-helixtrans-59.8-42172.8-67.50000110.9A204 K205 R210 C211 S212A204-T208 WeakPolarHBondContact O-CB 3.36Å; A204-T208 PolarHBondContact O-N 3.27Å; A204-T208 PolarHBondContact O-OG1 2.93Å; A204-T208 VanDerWaalsContact O-OG1 3.08Å; K205-T208 PolarHBondContact O-N 3.5Å; T208-R210 PolarHBondContact O-N 3.28Å; T208-C211 PolarHBondContact O-N 2.8Å; T208-S212 PolarHBondContact O-N 2.85Å
209L96.5Very high97.1Very high110 Ų11048.2 Ų48.258%0.57626%0.258SS*.Hα-helixtrans-60.5-45.3173.2179.661.5000111.7K205 A206 L207 C211 S212 K213K205-L209 PolarHBondContact O-N 3.22Å; A206-L209 PolarHBondContact O-N 3.44Å; L207-L209 VanDerWaalsContact C-N 3.29Å; L207-L209 PolarHBondContact O-N 3.26Å; L209-C211 PolarHBondContact O-N 2.86Å; L209-S212 PolarHBondContact O-N 3.27Å; L209-S212 PolarHBondContact O-OG 3.24Å; L209-K213 PolarHBondContact O-N 3.31Å
210R95.8Very high97.1Very high56 Ų5648 Ų4821%0.21126%0.256CS..Hα-helixtrans-57.7-49.3174.3179.1-176.8-69.2179.2-6.7111.6I180 A206 L207 T208 S212 K213 N214 A217I180-R210 VanDerWaalsContact CD1-NH2 3.35Å; A206-R210 PolarHBondContact O-N 2.95Å; L207-R210 WeakPolarHBondContact O-CB 3.42Å; L207-R210 PolarHBondContact O-N 3.2Å; L207-R210 VanDerWaalsContact O-N 3.14Å; T208-R210 PolarHBondContact O-N 3.28Å; R210-S212 VanDerWaalsContact C-N 3.26Å; R210-S212 PolarHBondContact O-N 2.9Å; R210-K213 CarbonylContact O-C 3.15Å; R210-K213 PolarHBondContact O-N 3.21Å; R210-N214 WeakPolarHBondContact O-CB 3.42Å; R210-N214 PolarHBondContact O-N 3.45Å; R210-A217 HydrophobicContact CG-CB 4.48Å
211C96.9Very high97.1Very high10 Ų1048.1 Ų48.17%0.06826%0.257CS..Hα-helixtrans-60-36.7178.5-68.60000111.9L207 T208 L209 K213 N214 N218L207-C211 PolarHBondContact O-N 2.84Å; L207-C211 PolarHBondContact O-SG 3.38Å; L207-C211 VanDerWaalsContact O-SG 3.33Å; T208-C211 PolarHBondContact O-N 2.8Å; L209-C211 PolarHBondContact O-N 2.86Å; C211-K213 PolarHBondContact O-N 3.11Å; C211-N214 PolarHBondContact O-N 2.82Å; C211-N218 HydrophobicContact CB-CB 3.89Å
212S96.4Very high97.2Very high79 Ų7945.3 Ų45.355%0.55224%0.242SC*.Hα-helixtrans-66.3-19.117679.10000114T208 L209 R210T208-S212 PolarHBondContact O-N 2.85Å; L209-S212 PolarHBondContact O-N 3.27Å; L209-S212 PolarHBondContact O-OG 3.24Å; R210-S212 VanDerWaalsContact C-N 3.26Å; R210-S212 PolarHBondContact O-N 2.9Å
213K96.6Very high97.3Very high175 Ų17541.5 Ų41.576%0.76123%0.228SC*.Hα-helixtrans-109-17.1-179.5-59.5-58.8-179.1-174.80113.9L209 R210 C211L209-K213 PolarHBondContact O-N 3.31Å; R210-K213 CarbonylContact O-C 3.15Å; R210-K213 PolarHBondContact O-N 3.21Å; C211-K213 PolarHBondContact O-N 3.11Å
214N96.4Very high97.4Very high53 Ų5341.5 Ų41.528%0.28323%0.228SC..  trans-129.899.6-178.6-178.9-11.8000109.3Y163 R210 C211 A216 A217 N218Y163-N214 PolarHBondContact OH-ND2 2.9Å; R210-N214 WeakPolarHBondContact O-CB 3.42Å; R210-N214 PolarHBondContact O-N 3.45Å; C211-N214 PolarHBondContact O-N 2.82Å; N214-A216 VanDerWaalsContact C-N 3.27Å; N214-A216 PolarHBondContact O-N 2.97Å; N214-A216 WeakPolarHBondContact OD1-CB 3.38Å; N214-A216 PolarHBondContact OD1-N 3.28Å; N214-A217 HydrophobicContact CB-CB 3.99Å; N214-A217 PolarHBondContact O-N 3.3Å; N214-A217 PolarHBondContact OD1-N 2.81Å; N214-A217 VanDerWaalsContact OD1-N 3.13Å; N214-N218 PolarHBondContact O-N 2.86Å
215S96.8Very high97.4Very high79 Ų7941.2 Ų41.255%0.55223%0.225SC*.Hα-helixtrans-58.2-38.9179.2-1720000112.3A217 N218 I219S215-A217 PolarHBondContact O-N 2.8Å; S215-N218 WeakPolarHBondContact O-CB 3.27Å; S215-N218 PolarHBondContact O-N 2.9Å; S215-N218 VanDerWaalsContact O-N 3.13Å; S215-I219 WeakPolarHBondContact O-CG1 3.38Å; S215-I219 PolarHBondContact O-N 3.4Å
216A97.3Very high97.5Very high36 Ų3635.6 Ų35.630%0.29820%0.202SC..Hα-helixtrans-66.5-38.3-179.500000112.1F140 N214 G220F140-A216 HydrophobicContact CD2-CB 3.93Å; N214-A216 VanDerWaalsContact C-N 3.27Å; N214-A216 PolarHBondContact O-N 2.97Å; N214-A216 WeakPolarHBondContact OD1-CB 3.38Å; N214-A216 PolarHBondContact OD1-N 3.28Å; A216-G220 PolarHBondContact O-N 2.91Å
217A97.1Very high97.5Very high0 Ų035 Ų350%020%0.196CC..Hα-helixtrans-66-38.3171.100000112.3Y163 R210 N214 S215 G221Y163-A217 HydrophobicContact CD2-CB 3.99Å; Y163-A217 HydrophobicContact CE2-CB 3.49Å; Y163-A217 VanDerWaalsContact CE2-CB 3.49Å; R210-A217 HydrophobicContact CG-CB 4.48Å; N214-A217 HydrophobicContact CB-CB 3.99Å; N214-A217 PolarHBondContact O-N 3.3Å; N214-A217 PolarHBondContact OD1-N 2.81Å; N214-A217 VanDerWaalsContact OD1-N 3.13Å; S215-A217 PolarHBondContact O-N 2.8Å; A217-G221 PolarHBondContact O-N 2.88Å
218N98.1Very high97.5Very high35 Ų3535.7 Ų35.719%0.18720%0.203CC..Hα-helixtrans-63.9-47.1177.3-169.148.4000111.6S108 R109 G110 C211 N214 S215S108-N218 PolarHBondContact O-ND2 3.17Å; R109-N218 WeakPolarHBondContact CB-OD1 3.23Å; G110-N218 PolarHBondContact N-O 3.21Å; C211-N218 HydrophobicContact CB-CB 3.89Å; N214-N218 PolarHBondContact O-N 2.86Å; S215-N218 WeakPolarHBondContact O-CB 3.27Å; S215-N218 PolarHBondContact O-N 2.9Å; S215-N218 VanDerWaalsContact O-N 3.13Å
219I98.4Very high97.4Very high17 Ų1736.7 Ų36.79%0.08720%0.2CC..Hα-helixtrans-69.6-38.6178.2-66.8163.1000111.4R100 E104 G110 S215 G221R100-I219 HydrophobicContact CB-CG2 4.41Å; R100-I219 WeakPolarHBondContact CG-O 3.39Å; E104-I219 HydrophobicContact CB-CD1 4.12Å; E104-I219 HydrophobicContact CB-CG2 4.05Å; E104-I219 HydrophobicContact CG-CD1 4.14Å; G110-I219 VanDerWaalsContact CA-O 3.26Å; G110-I219 WeakPolarHBondContact CA-O 3.23Å; S215-I219 WeakPolarHBondContact O-CG1 3.38Å; S215-I219 PolarHBondContact O-N 3.4Å; I219-G221 PolarHBondContact O-N 3.41Å
220G98.2Very high97.5Very high0 Ų032.1 Ų32.10%018%0.176CC..Hα-helixtrans-61.3-31.8178.600000113R100 A216R100-G220 PolarHBondContact NE-O 3.35Å; R100-G220 VanDerWaalsContact NE-O 3.1Å; A216-G220 PolarHBondContact O-N 2.91Å
221G98.5Very high97.5Very high2 Ų235.9 Ų35.92%0.02119%0.194CC..  trans74.3-166.2178.600000112.8P111 P141 T142 A217 I219P111-G221 CarbonylContact O-C 3.6Å; P111-G221 WeakPolarHBondContact O-CA 3.14Å; P141-G221 WeakPolarHBondContact CA-O 3.17Å; T142-G221 PolarHBondContact N-O 3.44Å; A217-G221 PolarHBondContact O-N 2.88Å; I219-G221 PolarHBondContact O-N 3.41Å
222F98.8Very high97.4Very high3 Ų341.8 Ų41.81%0.01323%0.225CC..EExtended strand (participates in β ladder)trans-116.1142.1-177-58.4-18.9000111.5P111 R112 V113 T142 V144 L207 I224 F245P111-F222 PolarHBondContact O-N 2.99Å; R112-F222 HydrophobicContact CB-CB 4.3Å; R112-F222 HydrophobicContact CB-CD2 4.35Å; R112-F222 HydrophobicContact CG-CB 4.25Å; R112-F222 HydrophobicContact CG-CD2 3.78Å; R112-F222 HydrophobicContact CG-CE2 4.35Å; R112-F222 HydrophobicContact CG-CG 4.09Å; V113-F222 VanDerWaalsContact CG1-O 3.28Å; V113-F222 WeakPolarHBondContact CG1-O 3.4Å; V113-F222 PolarHBondContact N-O 3.25Å; T142-F222 WeakPolarHBondContact O-CA 3.49Å; V144-F222 HydrophobicContact CG2-CB 4.29Å; V144-F222 HydrophobicContact CG2-CG 4.28Å; L207-F222 HydrophobicContact CB-CE1 4.29Å; L207-F222 HydrophobicContact CB-CE2 4.25Å; L207-F222 HydrophobicContact CB-CZ 3.66Å; L207-F222 HydrophobicContact CD1-CE1 4.42Å; L207-F222 HydrophobicContact CD1-CE2 4.27Å; L207-F222 HydrophobicContact CD1-CZ 4.15Å; F222-I224 HydrophobicContact CB-CD1 4.31Å; F222-I224 HydrophobicContact CB-CG1 3.96Å; F222-F245 HydrophobicContact CD2-CD1 4.32Å; F222-F245 HydrophobicContact CE2-CD1 4.39Å
223V98.9Very high97.5Very high1 Ų139.3 Ų39.31%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-115.6114.2163-179.20000107V113 I115 C127 L130 L131 T142 F143 V144V113-V223 HydrophobicContact CG1-CB 4.33Å; V113-V223 HydrophobicContact CG1-CG1 4.43Å; V113-V223 HydrophobicContact CG1-CG2 3.95Å; I115-V223 HydrophobicContact CD1-CG1 3.74Å; C127-V223 HydrophobicContact CB-CG1 3.79Å; L130-V223 HydrophobicContact CB-CG1 4.48Å; L130-V223 HydrophobicContact CB-CG2 4.46Å; L131-V223 HydrophobicContact CD2-CB 3.73Å; L131-V223 HydrophobicContact CD2-CG1 4.47Å; L131-V223 HydrophobicContact CD2-CG2 3.62Å; L131-V223 HydrophobicContact CG-CB 3.99Å; L131-V223 HydrophobicContact CG-CG1 4.19Å; L131-V223 HydrophobicContact CG-CG2 4.02Å; T142-V223 PolarHBondContact O-N 3.32Å; F143-V223 WeakPolarHBondContact CD2-O 3.29Å; V144-V223 PolarHBondContact N-O 2.78Å
224I98.9Very high97.5Very high0 Ų031 Ų310%017%0.173CC..EExtended strand (participates in β ladder)trans-110.2111.7-168.7-51.4167.1000109.5V113 M114 I115 V144 L146 F222 F245 V247V113-I224 PolarHBondContact O-N 2.76Å; M114-I224 HydrophobicContact CB-CB 4.16Å; M114-I224 HydrophobicContact CB-CD1 4.37Å; M114-I224 HydrophobicContact CG-CB 4.07Å; M114-I224 HydrophobicContact CG-CG2 4.06Å; I115-I224 WeakPolarHBondContact CD1-O 3.41Å; I115-I224 PolarHBondContact N-O 3.45Å; V144-I224 HydrophobicContact CB-CB 4.26Å; V144-I224 HydrophobicContact CB-CG1 3.91Å; V144-I224 HydrophobicContact CB-CG2 4.18Å; V144-I224 HydrophobicContact CG1-CG1 4.4Å; V144-I224 HydrophobicContact CG1-CG2 4.06Å; V144-I224 HydrophobicContact CG2-CG1 4.21Å; V144-I224 CarbonylContact O-C 3.45Å; V144-I224 WeakPolarHBondContact O-CA 3.38Å; L146-I224 HydrophobicContact CD1-CG2 3.59Å; L146-I224 HydrophobicContact CG-CG2 3.86Å; F222-I224 HydrophobicContact CB-CD1 4.31Å; F222-I224 HydrophobicContact CB-CG1 3.96Å; I224-F245 HydrophobicContact CD1-CB 3.72Å; I224-F245 HydrophobicContact CD1-CD1 4.32Å; I224-F245 HydrophobicContact CD1-CG 3.99Å; I224-V247 HydrophobicContact CD1-CG2 3.78Å
225N98.8Very high97.6Very high0 Ų030 Ų300%017%0.165CC..EExtended strand (participates in β ladder)trans-82.5143.2168.6-177.949.7000110.4F143 V144 D145 L146 D147F143-N225 HydrophobicContact CE2-CB 3.74Å; F143-N225 HydrophobicContact CZ-CB 4.09Å; V144-N225 PolarHBondContact O-N 3.03Å; D145-N225 PolarHBondContact OD1-ND2 2.86Å; L146-N225 WeakPolarHBondContact CB-O 3.38Å; L146-N225 PolarHBondContact N-O 2.8Å; D147-N225 WeakPolarHBondContact CB-ND2 3.29Å
226T98.4Very high97.7Very high6 Ų629.3 Ų29.34%0.03716%0.158CC..  trans-125.5160.7-176.963.20000112.3M114 I115 V116 K123M114-T226 HydrophobicContact CG-CG2 3.58Å; M114-T226 HydrophobicContact SD-CG2 3.8Å; I115-T226 WeakPolarHBondContact O-CG2 3.36Å; I115-T226 PolarHBondContact O-OG1 2.89Å; V116-T226 HydrophobicContact CG1-CG2 4.06Å; K123-T226 WeakPolarHBondContact CE-O 3.3Å
227C97.3Very high97.7Very high12 Ų1228 Ų288%0.08115%0.146CC..  trans-58.5150.5170.1-70.60000111.5L146 P189 W229L146-C227 PolarHBondContact O-SG 2.82Å; P189-C227 HydrophobicContact CG-CB 4.47Å; C227-W229 PolarHBondContact O-N 2.88Å
228G95.9Very high97.8Very high15 Ų1528.2 Ų28.216%0.15515%0.147CC..SBendtrans-779.2171.400000115.5T119T119-G228 PolarHBondContact N-O 3.02Å
229W96.5Very high97.8Very high82 Ų8228.1 Ų28.131%0.31115%0.148SC..  trans-91103.5178.8-174.927.9000109.7P189 L193 C227 K231 A233 G234P189-W229 HydrophobicContact CB-CE3 4.22Å; P189-W229 HydrophobicContact CB-CZ3 4.13Å; P189-W229 HydrophobicContact CG-CE3 4.4Å; L193-W229 HydrophobicContact CD2-CZ3 4.23Å; C227-W229 PolarHBondContact O-N 2.88Å; W229-K231 PolarHBondContact NE1-O 3.26Å; W229-A233 HydrophobicContact CH2-CB 3.53Å; W229-A233 HydrophobicContact CZ2-CB 3.85Å; W229-A233 HydrophobicContact CZ3-CB 4.27Å; W229-G234 CarbonylContact O-C 3.58Å; W229-G234 VanDerWaalsContact O-C 3.24Å; W229-G234 WeakPolarHBondContact O-CA 3.13Å
230I97.1Very high97.8Very high13 Ų1328.7 Ų28.77%0.06715%0.153CC..  trans-114.40.4-167.862.6168000114.2G117 I238 H255 L258G117-I230 WeakPolarHBondContact O-CG2 3.48Å; I230-I238 HydrophobicContact CB-CD1 4.25Å; I230-I238 HydrophobicContact CG2-CD1 3.95Å; I230-H255 WeakPolarHBondContact CD1-CD2 3.27Å; I230-H255 WeakPolarHBondContact CD1-NE2 3.43Å; I230-L258 HydrophobicContact CB-CD2 4.09Å; I230-L258 HydrophobicContact CD1-CD2 4.27Å; I230-L258 HydrophobicContact CG2-CD2 3.89Å
231K95.7Very high97.9Very high136 Ų13628.8 Ų28.859%0.59115%0.153SC*.SBendtrans-109.1150.8-178-65.9-174.3179.3179.40110.3W229 A233 G234 Y235W229-K231 PolarHBondContact NE1-O 3.26Å; K231-A233 PolarHBondContact O-N 3.28Å; K231-G234 WeakPolarHBondContact O-CA 3.08Å; K231-G234 PolarHBondContact O-N 3.1Å; K231-Y235 PolarHBondContact O-N 2.86Å
232D95.9Very high97.9Very high134 Ų13429 Ų2972%0.71715%0.154SC*.THydrogen-bonded Turntrans52.1-122.7172.4-48-55000111.2G234 Y235 T236D232-G234 PolarHBondContact O-N 3.22Å; D232-G234 VanDerWaalsContact O-N 3.15Å; D232-Y235 WeakPolarHBondContact O-CA 3.3Å; D232-Y235 VanDerWaalsContact O-CB 3.27Å; D232-Y235 WeakPolarHBondContact O-CB 3.32Å; D232-Y235 PolarHBondContact O-N 2.88Å; D232-T236 PolarHBondContact O-N 3.12Å; D232-T236 VanDerWaalsContact O-N 3.17Å
233A97.3Very high97.8Very high27 Ų2736 Ų3622%0.22319%0.187CC..Hα-helixtrans-59.3-26.5176.600000113.8L193 W229 K231 T236 C237L193-A233 HydrophobicContact CD1-CB 3.76Å; W229-A233 HydrophobicContact CH2-CB 3.53Å; W229-A233 HydrophobicContact CZ2-CB 3.85Å; W229-A233 HydrophobicContact CZ3-CB 4.27Å; K231-A233 PolarHBondContact O-N 3.28Å; A233-T236 WeakPolarHBondContact O-CB 3.39Å; A233-T236 PolarHBondContact O-N 3.34Å; A233-C237 PolarHBondContact O-N 2.75Å; A233-C237 PolarHBondContact O-SG 2.99Å
234G97.4Very high97.8Very high0 Ų037.7 Ų37.70%020%0.196CC..Hα-helixtrans-66.8-36.1171.600000113W229 K231 D232 C237 I238W229-G234 CarbonylContact O-C 3.58Å; W229-G234 VanDerWaalsContact O-C 3.24Å; W229-G234 WeakPolarHBondContact O-CA 3.13Å; K231-G234 WeakPolarHBondContact O-CA 3.08Å; K231-G234 PolarHBondContact O-N 3.1Å; D232-G234 PolarHBondContact O-N 3.22Å; D232-G234 VanDerWaalsContact O-N 3.15Å; G234-C237 WeakPolarHBondContact O-CB 3.34Å; G234-C237 PolarHBondContact O-N 3.13Å; G234-I238 WeakPolarHBondContact O-CG1 3.34Å; G234-I238 PolarHBondContact O-N 2.78Å
235Y98.4Very high97.8Very high33 Ų3337.7 Ų37.713%0.12920%0.196CC..Hα-helixtrans-63.7-43.5170.7-178.4-105.1000110.8K231 D232 C237 I238 T239 L258 E261 L262 D265K231-Y235 PolarHBondContact O-N 2.86Å; D232-Y235 WeakPolarHBondContact O-CA 3.3Å; D232-Y235 VanDerWaalsContact O-CB 3.27Å; D232-Y235 WeakPolarHBondContact O-CB 3.32Å; D232-Y235 PolarHBondContact O-N 2.88Å; Y235-C237 VanDerWaalsContact C-N 3.29Å; Y235-C237 PolarHBondContact O-N 2.79Å; Y235-I238 WeakPolarHBondContact O-CB 3.39Å; Y235-I238 PolarHBondContact O-N 3.42Å; Y235-T239 HydrophobicContact CD1-CG2 4.22Å; Y235-T239 HydrophobicContact CE1-CG2 3.74Å; Y235-T239 HydrophobicContact CE2-CG2 4.29Å; Y235-T239 PolarHBondContact O-N 2.99Å; Y235-T239 PolarHBondContact O-OG1 2.79Å; Y235-L258 HydrophobicContact CD2-CD1 3.8Å; Y235-L258 HydrophobicContact CE2-CD1 3.95Å; Y235-E261 HydrophobicContact CE2-CB 3.88Å; Y235-E261 PolarHBondContact OH-O 3.38Å; Y235-E261 VanDerWaalsContact OH-O 3.1Å; Y235-L262 HydrophobicContact CE2-CD2 3.75Å; Y235-L262 HydrophobicContact CE2-CG 4.05Å; Y235-D265 WeakPolarHBondContact OH-CB 3.26Å; Y235-D265 PolarHBondContact OH-OD2 3.46Å
236T98.4Very high97.8Very high64 Ų6442.5 Ų42.539%0.39322%0.219SC..Hα-helixtrans-59.3-39.8173.7-51.70000111.9F197 D232 A233 I238 T239 T240F197-T236 HydrophobicContact CZ-CG2 4.17Å; D232-T236 PolarHBondContact O-N 3.12Å; D232-T236 VanDerWaalsContact O-N 3.17Å; A233-T236 WeakPolarHBondContact O-CB 3.39Å; A233-T236 PolarHBondContact O-N 3.34Å; T236-I238 PolarHBondContact O-N 3.08Å; T236-T239 PolarHBondContact O-N 2.84Å; T236-T239 PolarHBondContact O-OG1 3.2Å; T236-T239 VanDerWaalsContact O-OG1 3.13Å; T236-T240 VanDerWaalsContact O-CB 3.27Å; T236-T240 WeakPolarHBondContact O-CB 3.28Å; T236-T240 PolarHBondContact O-N 2.72Å; T236-T240 PolarHBondContact O-OG1 2.98Å
237C98.6Very high97.8Very high8 Ų842.5 Ų42.55%0.05422%0.218CC..Hα-helixtrans-56.7-39.3173.1-68.30000112.8L193 Y196 A233 G234 Y235 A241L193-C237 VanDerWaalsContact CD2-SG 3.56Å; Y196-C237 HydrophobicContact CE1-CB 3.98Å; A233-C237 PolarHBondContact O-N 2.75Å; A233-C237 PolarHBondContact O-SG 2.99Å; G234-C237 WeakPolarHBondContact O-CB 3.34Å; G234-C237 PolarHBondContact O-N 3.13Å; Y235-C237 VanDerWaalsContact C-N 3.29Å; Y235-C237 PolarHBondContact O-N 2.79Å; C237-A241 WeakPolarHBondContact O-CB 3.21Å; C237-A241 PolarHBondContact O-N 2.81Å
238I98.6Very high97.8Very high5 Ų543.6 Ų43.63%0.02622%0.223CC..Hα-helixtrans-69.5-51179.1-67.3165.8000110.8M114 V116 I230 G234 Y235 T236 T240 A241 A242 L258 L262M114-I238 HydrophobicContact CE-CG2 3.87Å; V116-I238 HydrophobicContact CB-CD1 4.47Å; V116-I238 HydrophobicContact CB-CG2 4.48Å; V116-I238 HydrophobicContact CG1-CG1 4.45Å; V116-I238 HydrophobicContact CG1-CG2 3.77Å; I230-I238 HydrophobicContact CB-CD1 4.25Å; I230-I238 HydrophobicContact CG2-CD1 3.95Å; G234-I238 WeakPolarHBondContact O-CG1 3.34Å; G234-I238 PolarHBondContact O-N 2.78Å; Y235-I238 WeakPolarHBondContact O-CB 3.39Å; Y235-I238 PolarHBondContact O-N 3.42Å; T236-I238 PolarHBondContact O-N 3.08Å; I238-T240 VanDerWaalsContact C-N 3.35Å; I238-T240 PolarHBondContact O-N 2.93Å; I238-A241 PolarHBondContact O-N 2.85Å; I238-A242 PolarHBondContact O-N 3.37Å; I238-L258 HydrophobicContact CD1-CD1 4.41Å; I238-L262 HydrophobicContact CG2-CD2 3.9Å
239T98.5Very high98Very high32 Ų3243.6 Ų43.620%0.19622%0.22CC..Hα-helixtrans-64.2-41.7-177.654.90000111.5Y235 T236 A242 E243 L262 L266Y235-T239 HydrophobicContact CD1-CG2 4.22Å; Y235-T239 HydrophobicContact CE1-CG2 3.74Å; Y235-T239 HydrophobicContact CE2-CG2 4.29Å; Y235-T239 PolarHBondContact O-N 2.99Å; Y235-T239 PolarHBondContact O-OG1 2.79Å; T236-T239 PolarHBondContact O-N 2.84Å; T236-T239 PolarHBondContact O-OG1 3.2Å; T236-T239 VanDerWaalsContact O-OG1 3.13Å; T239-A242 WeakPolarHBondContact O-CB 3.42Å; T239-A242 PolarHBondContact O-N 3.43Å; T239-E243 PolarHBondContact O-N 3.21Å; T239-E243 VanDerWaalsContact O-N 3.11Å; T239-L262 HydrophobicContact CG2-CD2 4.23Å; T239-L266 HydrophobicContact CG2-CD2 4.42Å
240T98.5Very high98.1Very high30 Ų3039.7 Ų39.718%0.18421%0.205CC..Hα-helixtrans-67.3-37.8176.6-60.70000111.9F197 T236 I238 E243 I244F197-T240 HydrophobicContact CD1-CG2 3.54Å; F197-T240 HydrophobicContact CE1-CG2 3.74Å; F197-T240 HydrophobicContact CG-CG2 4.36Å; T236-T240 VanDerWaalsContact O-CB 3.27Å; T236-T240 WeakPolarHBondContact O-CB 3.28Å; T236-T240 PolarHBondContact O-N 2.72Å; T236-T240 PolarHBondContact O-OG1 2.98Å; I238-T240 VanDerWaalsContact C-N 3.35Å; I238-T240 PolarHBondContact O-N 2.93Å; T240-E243 PolarHBondContact O-N 3.25Å; T240-I244 HydrophobicContact CG2-CD1 3.58Å; T240-I244 HydrophobicContact CG2-CG1 4.17Å; T240-I244 WeakPolarHBondContact O-CB 3.35Å; T240-I244 VanDerWaalsContact O-CG1 3.3Å; T240-I244 WeakPolarHBondContact O-CG1 3.44Å; T240-I244 PolarHBondContact O-N 2.65Å
241A98.7Very high98.2Very high1 Ų139 Ų391%0.00820%0.202CC..Hα-helixtrans-64.2-40.9173.200000111.9M114 L146 L200 C237 I238 E243 I244 F245M114-A241 HydrophobicContact SD-CB 3.99Å; L146-A241 HydrophobicContact CD1-CB 3.92Å; L200-A241 HydrophobicContact CD1-CB 4.01Å; C237-A241 WeakPolarHBondContact O-CB 3.21Å; C237-A241 PolarHBondContact O-N 2.81Å; I238-A241 PolarHBondContact O-N 2.85Å; A241-E243 VanDerWaalsContact C-N 3.28Å; A241-E243 PolarHBondContact O-N 3.41Å; A241-I244 PolarHBondContact O-N 2.84Å; A241-F245 WeakPolarHBondContact O-CB 3.5Å; A241-F245 WeakPolarHBondContact O-CD2 3.13Å; A241-F245 PolarHBondContact O-N 2.62Å
242A98.7Very high98.3Very high6 Ų632.6 Ų32.65%0.0517%0.174CC..Hα-helixtrans-57.8-42.9176.100000111.9M114 I238 T239 E246 V247 L266M114-A242 HydrophobicContact CE-CB 3.63Å; I238-A242 PolarHBondContact O-N 3.37Å; T239-A242 WeakPolarHBondContact O-CB 3.42Å; T239-A242 PolarHBondContact O-N 3.43Å; A242-E246 WeakPolarHBondContact O-CA 3.34Å; A242-E246 PolarHBondContact O-N 2.77Å; A242-E246 VanDerWaalsContact O-N 3.16Å; A242-V247 HydrophobicContact CB-CB 4.35Å; A242-V247 HydrophobicContact CB-CG2 4.47Å; A242-V247 PolarHBondContact O-N 2.92Å; A242-L266 HydrophobicContact CB-CD2 3.96Å
243E98.4Very high98.4Very high150 Ų15026.2 Ų26.270%0.70114%0.14SC*.Hα-helixtrans-68-54.7177.4-176.4178.5-172.200112T239 T240 A241 F245 E246T239-E243 PolarHBondContact O-N 3.21Å; T239-E243 VanDerWaalsContact O-N 3.11Å; T240-E243 PolarHBondContact O-N 3.25Å; A241-E243 VanDerWaalsContact C-N 3.28Å; A241-E243 PolarHBondContact O-N 3.41Å; E243-F245 VanDerWaalsContact C-N 3.31Å; E243-F245 PolarHBondContact O-N 3.28Å; E243-E246 PolarHBondContact O-N 3.15Å
244I98.5Very high98.3Very high38 Ų3828 Ų2820%0.19515%0.146CC..Hα-helixtrans-59-41.6-176.6-74.1174.6000112L200 D201 A204 T240 A241 E246L200-I244 HydrophobicContact CB-CD1 3.87Å; L200-I244 HydrophobicContact CB-CG2 4.24Å; L200-I244 HydrophobicContact CD1-CD1 4.46Å; D201-I244 HydrophobicContact CB-CD1 4.42Å; A204-I244 HydrophobicContact CB-CG2 3.52Å; T240-I244 HydrophobicContact CG2-CD1 3.58Å; T240-I244 HydrophobicContact CG2-CG1 4.17Å; T240-I244 WeakPolarHBondContact O-CB 3.35Å; T240-I244 VanDerWaalsContact O-CG1 3.3Å; T240-I244 WeakPolarHBondContact O-CG1 3.44Å; T240-I244 PolarHBondContact O-N 2.65Å; A241-I244 PolarHBondContact O-N 2.84Å; I244-E246 VanDerWaalsContact C-N 3.29Å
245F98.5Very high98.3Very high0 Ų030.4 Ų30.40%016%0.157CC..THydrogen-bonded Turntrans-86.40.3178.2-72.2-85.8000112.9R112 V144 L146 L200 L203 A204 L207 F222 I224 A241 E243 V247R112-F245 WeakPolarHBondContact CD-O 3.45Å; R112-F245 PolarHBondContact NH1-O 3.45Å; V144-F245 HydrophobicContact CG1-CE1 3.84Å; V144-F245 HydrophobicContact CG1-CZ 3.93Å; L146-F245 HydrophobicContact CD1-CD2 4.32Å; L146-F245 HydrophobicContact CD1-CE2 3.84Å; L146-F245 HydrophobicContact CD2-CE2 4.01Å; L146-F245 HydrophobicContact CD2-CZ 3.94Å; L200-F245 HydrophobicContact CB-CE2 4.23Å; L200-F245 HydrophobicContact CD2-CE2 4.21Å; L203-F245 HydrophobicContact CB-CZ 4.27Å; L203-F245 HydrophobicContact CD2-CZ 4.18Å; L203-F245 HydrophobicContact CG-CE1 4.34Å; L203-F245 HydrophobicContact CG-CZ 4.23Å; A204-F245 HydrophobicContact CB-CD1 4Å; A204-F245 HydrophobicContact CB-CE1 3.91Å; A204-F245 HydrophobicContact CB-CG 4.43Å; A204-F245 HydrophobicContact CB-CZ 4.26Å; L207-F245 HydrophobicContact CD1-CE1 4.14Å; F222-F245 HydrophobicContact CD2-CD1 4.32Å; F222-F245 HydrophobicContact CE2-CD1 4.39Å; I224-F245 HydrophobicContact CD1-CB 3.72Å; I224-F245 HydrophobicContact CD1-CD1 4.32Å; I224-F245 HydrophobicContact CD1-CG 3.99Å; A241-F245 WeakPolarHBondContact O-CB 3.5Å; A241-F245 WeakPolarHBondContact O-CD2 3.13Å; A241-F245 PolarHBondContact O-N 2.62Å; E243-F245 VanDerWaalsContact C-N 3.31Å; E243-F245 PolarHBondContact O-N 3.28Å; F245-V247 VanDerWaalsContact C-N 3.34Å; F245-V247 HydrophobicContact CB-CG2 4.07Å; F245-V247 PolarHBondContact O-N 2.85Å
246E97.9Very high98.2Very high101 Ų10135.8 Ų35.847%0.47218%0.183SC..THydrogen-bonded Turntrans4854.4-177.4-53.7168.6-137.900111.8R109 R112 A242 E243 I244R109-E246 IonicContact CZ-OE2 3.3Å; R109-E246 IonicContact NH1-OE2 3.17Å; R109-E246 PolarHBondContact NH1-OE2 2.93Å; R109-E246 PolarHBondContact NH2-O 3.17Å; R112-E246 IonicContact NH1-OE1 2.71Å; R112-E246 IonicContact NH1-OE2 3.51Å; A242-E246 WeakPolarHBondContact O-CA 3.34Å; A242-E246 PolarHBondContact O-N 2.77Å; A242-E246 VanDerWaalsContact O-N 3.16Å; E243-E246 PolarHBondContact O-N 3.15Å; I244-E246 VanDerWaalsContact C-N 3.29Å
247V98.6Very high98.2Very high5 Ų541 Ų413%0.0320%0.196CC..  trans-64.9134-174.1171.10000111.3R112 M114 I224 A242 F245 V249 V250 V270R112-V247 WeakPolarHBondContact O-CG1 3.42Å; M114-V247 HydrophobicContact CB-CG1 3.83Å; M114-V247 HydrophobicContact CB-CG2 3.92Å; M114-V247 HydrophobicContact SD-CG2 4.42Å; I224-V247 HydrophobicContact CD1-CG2 3.78Å; A242-V247 HydrophobicContact CB-CB 4.35Å; A242-V247 HydrophobicContact CB-CG2 4.47Å; A242-V247 PolarHBondContact O-N 2.92Å; F245-V247 VanDerWaalsContact C-N 3.34Å; F245-V247 HydrophobicContact CB-CG2 4.07Å; F245-V247 PolarHBondContact O-N 2.85Å; V247-V249 WeakPolarHBondContact CG1-O 3.28Å; V247-V250 HydrophobicContact CG1-CG2 3.66Å; V247-V270 HydrophobicContact CG1-CG1 4.47Å; V247-V270 WeakPolarHBondContact O-CG2 3.24Å
248D98.6Very high98.2Very high36 Ų3640.7 Ų40.719%0.19319%0.193CC..SBendtrans-92.2-31.9176.6-47.7-66000111.5M99 R109 R112 K271M99-D248 HydrophobicContact CE-CB 3.92Å; R109-D248 IonicContact CZ-OD1 3.95Å; R109-D248 IonicContact NE-OD1 3.75Å; R109-D248 IonicContact NH2-OD1 3.96Å; R109-D248 PolarHBondContact NH2-OD1 3.26Å; R112-D248 PolarHBondContact N-OD2 2.89Å; R112-D248 PolarHBondContact O-N 3.38Å; D248-K271 PolarHBondContact O-N 3.46Å
249V98.8Very high98.2Very high14 Ų1444.3 Ų44.39%0.08521%0.207CC..EExtended strand (participates in β ladder)trans-134.5128.9-176.8-174.80000110.9L96 M99 R112 V113 M114 V247 I251 K271L96-V249 HydrophobicContact CD2-CG2 4.31Å; M99-V249 HydrophobicContact CE-CG2 4.32Å; M99-V249 HydrophobicContact SD-CG2 4.12Å; R112-V249 PolarHBondContact O-N 3.29Å; V113-V249 CarbonylContact C-O 3.47Å; V113-V249 VanDerWaalsContact CA-O 3.3Å; V113-V249 WeakPolarHBondContact CA-O 3.26Å; V113-V249 HydrophobicContact CB-CB 4.31Å; V113-V249 HydrophobicContact CG2-CB 4.05Å; V113-V249 HydrophobicContact CG2-CG1 4.11Å; M114-V249 PolarHBondContact N-O 3.13Å; V247-V249 WeakPolarHBondContact CG1-O 3.28Å; V249-I251 HydrophobicContact CG1-CG1 4.22Å; V249-K271 CarbonylContact C-O 3.59Å; V249-K271 VanDerWaalsContact CA-O 3.29Å; V249-K271 WeakPolarHBondContact CA-O 3.38Å; V249-K271 HydrophobicContact CG2-CB 4.36Å
250V98.8Very high98.1Very high0 Ų046.8 Ų46.80%022%0.223CC..EExtended strand (participates in β ladder)trans-113.1119.2171.7179.20000109.5M114 V116 V247 V252 L262 L266 V270 K271 V272 V273M114-V250 HydrophobicContact CE-CG1 4.37Å; M114-V250 HydrophobicContact CE-CG2 3.91Å; M114-V250 CarbonylContact O-C 3.45Å; M114-V250 WeakPolarHBondContact O-CA 3.41Å; V116-V250 HydrophobicContact CG1-CG1 4.18Å; V116-V250 HydrophobicContact CG2-CG1 3.67Å; V247-V250 HydrophobicContact CG1-CG2 3.66Å; V250-V252 HydrophobicContact CG1-CG2 4.3Å; V250-L262 HydrophobicContact CG1-CD1 4.02Å; V250-L266 HydrophobicContact CB-CD1 4.44Å; V250-L266 HydrophobicContact CG2-CD1 3.82Å; V250-V270 HydrophobicContact CG2-CG1 3.78Å; V250-K271 PolarHBondContact N-O 3.04Å; V250-V272 HydrophobicContact CB-CG1 4.42Å; V250-V272 HydrophobicContact CB-CG2 4.42Å; V250-V272 CarbonylContact O-C 3.53Å; V250-V272 WeakPolarHBondContact O-CA 3.17Å; V250-V273 PolarHBondContact O-N 3.45Å
251I98.8Very high98.1Very high0 Ų047.2 Ų47.20%022%0.223CC..EExtended strand (participates in β ladder)trans-101.3114.3176.5-55.2168.4000109.4T92 V113 M114 V116 Y126 L130 V249 V273 E275T92-I251 HydrophobicContact CG2-CD1 3.75Å; V113-I251 HydrophobicContact CG2-CD1 3.52Å; V113-I251 HydrophobicContact CG2-CG1 3.86Å; M114-I251 PolarHBondContact O-N 3.31Å; V116-I251 PolarHBondContact N-O 2.89Å; Y126-I251 HydrophobicContact CE1-CD1 3.98Å; Y126-I251 HydrophobicContact CE1-CG2 3.86Å; L130-I251 HydrophobicContact CD1-CD1 4.2Å; V249-I251 HydrophobicContact CG1-CG1 4.22Å; I251-V273 HydrophobicContact CB-CG2 3.99Å; I251-V273 HydrophobicContact CG1-CG2 3.61Å; I251-V273 HydrophobicContact CG2-CG2 4.02Å; I251-E275 HydrophobicContact CG2-CB 4.17Å; I251-E275 HydrophobicContact CG2-CG 3.94Å
252V98.7Very high98.1Very high0 Ų047.1 Ų47.10%022%0.222CC..EExtended strand (participates in β ladder)trans-95.7113.5177.5-171.60000109.4V116 V250 H255 L258 Y259 L262 V272 V273 H274 E275V116-V252 HydrophobicContact CG2-CB 4.17Å; V116-V252 HydrophobicContact CG2-CG1 4.36Å; V116-V252 HydrophobicContact CG2-CG2 3.69Å; V116-V252 WeakPolarHBondContact O-CA 3.17Å; V250-V252 HydrophobicContact CG1-CG2 4.3Å; V252-H255 HydrophobicContact CG1-CB 4.32Å; V252-L258 HydrophobicContact CG1-CB 4.18Å; V252-L258 HydrophobicContact CG1-CD2 3.97Å; V252-L258 HydrophobicContact CG1-CG 4.03Å; V252-Y259 HydrophobicContact CG2-CD2 4.33Å; V252-L262 HydrophobicContact CG2-CD1 3.69Å; V252-V272 HydrophobicContact CG2-CG1 3.84Å; V252-V273 PolarHBondContact N-O 3.42Å; V252-H274 WeakPolarHBondContact O-CA 3.42Å; V252-E275 PolarHBondContact O-N 3.26Å
253I98.1Very high98.1Very high0 Ų050.2 Ų50.20%024%0.24CC..EExtended strand (participates in β ladder)trans-89.5120.3178.7-50.7-176.3000110.5I115 V116 V121 K123 Y126 H255 E275 K277I115-I253 HydrophobicContact CG2-CD1 3.68Å; I115-I253 HydrophobicContact CG2-CG1 4.14Å; V116-I253 PolarHBondContact O-N 3.02Å; V121-I253 HydrophobicContact CB-CB 4.33Å; V121-I253 HydrophobicContact CB-CG2 3.91Å; V121-I253 HydrophobicContact CG2-CB 3.83Å; V121-I253 HydrophobicContact CG2-CD1 4.48Å; V121-I253 HydrophobicContact CG2-CG2 3.95Å; V121-I253 WeakPolarHBondContact O-CG2 3.49Å; K123-I253 HydrophobicContact CB-CD1 4.48Å; K123-I253 HydrophobicContact CG-CD1 4.05Å; Y126-I253 HydrophobicContact CD1-CD1 3.88Å; Y126-I253 HydrophobicContact CD1-CG1 4.44Å; I253-H255 VanDerWaalsContact C-N 3.32Å; I253-H255 PolarHBondContact O-N 3.03Å; I253-E275 WeakPolarHBondContact CA-O 3.43Å; I253-K277 HydrophobicContact CG2-CB 3.73Å
254D95.2Very high98.1Very high66 Ų6650.9 Ų50.935%0.35324%0.236SC..SBendtrans48.942.2167.5-164.145.7000115.2E275 K277D254-E275 PolarHBondContact N-O 3.37Å; D254-K277 HydrophobicContact CB-CB 3.84Å; D254-K277 HydrophobicContact CB-CD 4.05Å; D254-K277 HydrophobicContact CB-CG 3.86Å; D254-K277 WeakPolarHBondContact OD2-CD 3.35Å; D254-K277 WeakPolarHBondContact OD2-CE 3.41Å; D254-K277 IonicContact OD2-NZ 2.72Å; D254-K277 PolarHBondContact OD2-NZ 2.85Å
255H96.2Very high98Very high49 Ų4952.7 Ų52.723%0.22725%0.246CC..  trans-149.884.9179.1-161.6-71000113.4I230 V252 I253 R257 L258 Y259 H274I230-H255 WeakPolarHBondContact CD1-CD2 3.27Å; I230-H255 WeakPolarHBondContact CD1-NE2 3.43Å; V252-H255 HydrophobicContact CG1-CB 4.32Å; I253-H255 VanDerWaalsContact C-N 3.32Å; I253-H255 PolarHBondContact O-N 3.03Å; H255-R257 PolarHBondContact O-N 3.11Å; H255-L258 HydrophobicContact CB-CB 4.13Å; H255-L258 WeakPolarHBondContact ND1-CB 3.4Å; H255-L258 PolarHBondContact ND1-N 2.93Å; H255-L258 PolarHBondContact O-N 2.93Å; H255-L258 VanDerWaalsContact O-N 3.13Å; H255-Y259 PolarHBondContact O-N 3.27Å; H255-H274 PolarHBondContact N-NE2 3.24Å
256E97.2Very high98Very high146 Ų14653.5 Ų53.568%0.68225%0.251SS*.Hα-helixtrans-55.9-44.7-173.4-66.1-176.4160.700113.9L258 Y259 T260E256-L258 VanDerWaalsContact C-N 3.29Å; E256-L258 PolarHBondContact O-N 3.38Å; E256-Y259 WeakPolarHBondContact O-CB 3.39Å; E256-Y259 PolarHBondContact O-N 3.02Å; E256-Y259 VanDerWaalsContact O-N 3.14Å; E256-T260 PolarHBondContact O-N 3.03Å; E256-T260 PolarHBondContact O-OG1 3.12Å
257R97.7Very high98Very high174 Ų17452.7 Ų52.766%0.65725%0.254SS*.Hα-helixtrans-60.4-40.3179.5176.4176.7173172.10.6112.4H255 Y259 T260 E261H255-R257 PolarHBondContact O-N 3.11Å; R257-Y259 VanDerWaalsContact C-N 3.32Å; R257-T260 PolarHBondContact O-N 3.35Å; R257-E261 HydrophobicContact CG-CG 4.46Å; R257-E261 IonicContact CZ-OE1 3.44Å; R257-E261 IonicContact NE-OE1 2.68Å; R257-E261 PolarHBondContact NE-OE1 3.46Å; R257-E261 IonicContact NH2-OE1 3.42Å; R257-E261 PolarHBondContact NH2-OE1 3.4Å; R257-E261 WeakPolarHBondContact O-CB 3.34Å; R257-E261 VanDerWaalsContact O-CG 3.29Å; R257-E261 WeakPolarHBondContact O-CG 3.19Å; R257-E261 PolarHBondContact O-N 3.29Å
258L98.3Very high97.9Very high1 Ų159.6 Ų59.61%0.00529%0.291CS..Hα-helixtrans-68.8-39179.5173.663.8000109.4V116 I230 Y235 I238 V252 H255 E256 E261 L262V116-L258 HydrophobicContact CG2-CD2 4.2Å; I230-L258 HydrophobicContact CB-CD2 4.09Å; I230-L258 HydrophobicContact CD1-CD2 4.27Å; I230-L258 HydrophobicContact CG2-CD2 3.89Å; Y235-L258 HydrophobicContact CD2-CD1 3.8Å; Y235-L258 HydrophobicContact CE2-CD1 3.95Å; I238-L258 HydrophobicContact CD1-CD1 4.41Å; V252-L258 HydrophobicContact CG1-CB 4.18Å; V252-L258 HydrophobicContact CG1-CD2 3.97Å; V252-L258 HydrophobicContact CG1-CG 4.03Å; H255-L258 HydrophobicContact CB-CB 4.13Å; H255-L258 WeakPolarHBondContact ND1-CB 3.4Å; H255-L258 PolarHBondContact ND1-N 2.93Å; H255-L258 PolarHBondContact O-N 2.93Å; H255-L258 VanDerWaalsContact O-N 3.13Å; E256-L258 VanDerWaalsContact C-N 3.29Å; E256-L258 PolarHBondContact O-N 3.38Å; L258-E261 PolarHBondContact O-N 3.03Å; L258-L262 HydrophobicContact CD1-CD1 3.8Å; L258-L262 HydrophobicContact CD1-CG 4.01Å; L258-L262 HydrophobicContact CG-CD1 3.79Å; L258-L262 HydrophobicContact CG-CG 4.39Å; L258-L262 WeakPolarHBondContact O-CB 3.44Å; L258-L262 VanDerWaalsContact O-CG 3.23Å; L258-L262 WeakPolarHBondContact O-CG 3.19Å; L258-L262 PolarHBondContact O-N 3.16Å
259Y98.5Very high97.7Very high81 Ų8164.9 Ų64.932%0.31832%0.317SS..Hα-helixtrans-58.5-50.1172.8167.9-99.2000111.7V252 H255 E256 R257 E261 L262 V263 V272 H274V252-Y259 HydrophobicContact CG2-CD2 4.33Å; H255-Y259 PolarHBondContact O-N 3.27Å; E256-Y259 WeakPolarHBondContact O-CB 3.39Å; E256-Y259 PolarHBondContact O-N 3.02Å; E256-Y259 VanDerWaalsContact O-N 3.14Å; R257-Y259 VanDerWaalsContact C-N 3.32Å; Y259-E261 PolarHBondContact O-N 3.47Å; Y259-L262 PolarHBondContact O-N 3.07Å; Y259-V263 HydrophobicContact CD1-CG2 4.48Å; Y259-V263 HydrophobicContact CD2-CG2 4.06Å; Y259-V263 HydrophobicContact CE1-CG2 4.08Å; Y259-V263 HydrophobicContact CE2-CG2 3.63Å; Y259-V263 HydrophobicContact CG-CG2 4.46Å; Y259-V263 WeakPolarHBondContact O-CB 3.32Å; Y259-V263 VanDerWaalsContact O-CG2 3.28Å; Y259-V263 WeakPolarHBondContact O-CG2 3.2Å; Y259-V263 PolarHBondContact O-N 2.96Å; Y259-V272 HydrophobicContact CD2-CG1 3.75Å; Y259-V272 HydrophobicContact CE2-CB 4.38Å; Y259-V272 HydrophobicContact CE2-CG1 4Å; Y259-H274 HydrophobicContact CD1-CB 4.36Å; Y259-H274 HydrophobicContact CD2-CB 3.65Å; Y259-H274 HydrophobicContact CE2-CB 4.01Å; Y259-H274 HydrophobicContact CG-CB 3.84Å
260T98.2Very high97.7Very high85 Ų8565.1 Ų65.152%0.52132%0.319SS..Hα-helixtrans-62.6-41.2178.8-52.70000112.4E256 R257 R264E256-T260 PolarHBondContact O-N 3.03Å; E256-T260 PolarHBondContact O-OG1 3.12Å; R257-T260 PolarHBondContact O-N 3.35Å; T260-R264 WeakPolarHBondContact O-CB 3.38Å; T260-R264 PolarHBondContact O-N 2.92Å; T260-R264 VanDerWaalsContact O-N 3.16Å
261E98.3Very high97.7Very high38 Ų3871.5 Ų71.518%0.17835%0.347CS..Hα-helixtrans-62.2-46.9176.5-73.4167.916800110.8Y235 R257 L258 Y259 R264 D265Y235-E261 HydrophobicContact CE2-CB 3.88Å; Y235-E261 PolarHBondContact OH-O 3.38Å; Y235-E261 VanDerWaalsContact OH-O 3.1Å; R257-E261 HydrophobicContact CG-CG 4.46Å; R257-E261 IonicContact CZ-OE1 3.44Å; R257-E261 IonicContact NE-OE1 2.68Å; R257-E261 PolarHBondContact NE-OE1 3.46Å; R257-E261 IonicContact NH2-OE1 3.42Å; R257-E261 PolarHBondContact NH2-OE1 3.4Å; R257-E261 WeakPolarHBondContact O-CB 3.34Å; R257-E261 VanDerWaalsContact O-CG 3.29Å; R257-E261 WeakPolarHBondContact O-CG 3.19Å; R257-E261 PolarHBondContact O-N 3.29Å; L258-E261 PolarHBondContact O-N 3.03Å; Y259-E261 PolarHBondContact O-N 3.47Å; E261-R264 PolarHBondContact O-N 2.98Å; E261-D265 WeakPolarHBondContact O-CB 3.38Å; E261-D265 VanDerWaalsContact O-CG 3.28Å; E261-D265 PolarHBondContact O-N 2.92Å
262L98.6Very high97.7Very high0 Ų072.5 Ų72.50%035%0.353CS..Hα-helixtrans-68.1-38.7179.8-69.8168.7000113.4V116 Y235 I238 T239 V250 V252 L258 Y259 R264 D265 L266 V272V116-L262 HydrophobicContact CG2-CD1 3.79Å; Y235-L262 HydrophobicContact CE2-CD2 3.75Å; Y235-L262 HydrophobicContact CE2-CG 4.05Å; I238-L262 HydrophobicContact CG2-CD2 3.9Å; T239-L262 HydrophobicContact CG2-CD2 4.23Å; V250-L262 HydrophobicContact CG1-CD1 4.02Å; V252-L262 HydrophobicContact CG2-CD1 3.69Å; L258-L262 HydrophobicContact CD1-CD1 3.8Å; L258-L262 HydrophobicContact CD1-CG 4.01Å; L258-L262 HydrophobicContact CG-CD1 3.79Å; L258-L262 HydrophobicContact CG-CG 4.39Å; L258-L262 WeakPolarHBondContact O-CB 3.44Å; L258-L262 VanDerWaalsContact O-CG 3.23Å; L258-L262 WeakPolarHBondContact O-CG 3.19Å; L258-L262 PolarHBondContact O-N 3.16Å; Y259-L262 PolarHBondContact O-N 3.07Å; L262-R264 PolarHBondContact O-N 3.12Å; L262-D265 PolarHBondContact O-N 2.78Å; L262-L266 HydrophobicContact CB-CD1 4.14Å; L262-L266 HydrophobicContact CD2-CD1 3.99Å; L262-L266 HydrophobicContact CD2-CG 4.2Å; L262-L266 VanDerWaalsContact O-CB 3.23Å; L262-L266 WeakPolarHBondContact O-CB 3.4Å; L262-L266 WeakPolarHBondContact O-CG 3.45Å; L262-L266 PolarHBondContact O-N 2.88Å; L262-V272 HydrophobicContact CB-CG1 4.07Å; L262-V272 HydrophobicContact CB-CG2 4.47Å
263V98.3Very high97.7Very high70 Ų7075 Ų7542%0.42437%0.368SS..Hα-helixtrans-60.8-36.7173.8168.40000111.2Y259 V272Y259-V263 HydrophobicContact CD1-CG2 4.48Å; Y259-V263 HydrophobicContact CD2-CG2 4.06Å; Y259-V263 HydrophobicContact CE1-CG2 4.08Å; Y259-V263 HydrophobicContact CE2-CG2 3.63Å; Y259-V263 HydrophobicContact CG-CG2 4.46Å; Y259-V263 WeakPolarHBondContact O-CB 3.32Å; Y259-V263 VanDerWaalsContact O-CG2 3.28Å; Y259-V263 WeakPolarHBondContact O-CG2 3.2Å; Y259-V263 PolarHBondContact O-N 2.96Å; V263-V272 HydrophobicContact CG2-CB 3.79Å; V263-V272 HydrophobicContact CG2-CG1 4.02Å; V263-V272 HydrophobicContact CG2-CG2 4.34Å
264R97.7Very high97.7Very high165 Ų16578.5 Ų78.562%0.62338%0.384SS*.Hα-helixtrans-74.8-41.4179.9-176.2-170.966.6-145.6-11.2112.3T260 E261 L262T260-R264 WeakPolarHBondContact O-CB 3.38Å; T260-R264 PolarHBondContact O-N 2.92Å; T260-R264 VanDerWaalsContact O-N 3.16Å; E261-R264 PolarHBondContact O-N 2.98Å; L262-R264 PolarHBondContact O-N 3.12Å
265D98Very high97.8Very high76 Ų7675.6 Ų75.641%0.40637%0.368SS..Hα-helixtrans-99.4-21.4-165.9-59.3-19.3000113.7Y235 E261 L262Y235-D265 WeakPolarHBondContact OH-CB 3.26Å; Y235-D265 PolarHBondContact OH-OD2 3.46Å; E261-D265 WeakPolarHBondContact O-CB 3.38Å; E261-D265 VanDerWaalsContact O-CG 3.28Å; E261-D265 PolarHBondContact O-N 2.92Å; L262-D265 PolarHBondContact O-N 2.78Å
266L98.2Very high97.8Very high17 Ų1775.8 Ų75.89%0.08937%0.374CS..SBendtrans-83.1151.3175.7-66.2178.3000112T239 A242 V250 L262 V270 V272T239-L266 HydrophobicContact CG2-CD2 4.42Å; A242-L266 HydrophobicContact CB-CD2 3.96Å; V250-L266 HydrophobicContact CB-CD1 4.44Å; V250-L266 HydrophobicContact CG2-CD1 3.82Å; L262-L266 HydrophobicContact CB-CD1 4.14Å; L262-L266 HydrophobicContact CD2-CD1 3.99Å; L262-L266 HydrophobicContact CD2-CG 4.2Å; L262-L266 VanDerWaalsContact O-CB 3.23Å; L262-L266 WeakPolarHBondContact O-CB 3.4Å; L262-L266 WeakPolarHBondContact O-CG 3.45Å; L262-L266 PolarHBondContact O-N 2.88Å; L266-V270 HydrophobicContact CB-CB 4.45Å; L266-V270 HydrophobicContact CD1-CG1 4.15Å; L266-V272 HydrophobicContact CD1-CG2 3.98Å
267P97.3Very high97.7Very high83 Ų8372.5 Ų72.554%0.53936%0.357SS..  trans-58.1141.1174.8-24.634.9000112.4I269 V270P267-I269 HydrophobicContact CB-CG2 4.08Å; P267-I269 PolarHBondContact O-N 3.49Å; P267-V270 HydrophobicContact CB-CG2 4.47Å; P267-V270 WeakPolarHBondContact O-CB 3.18Å; P267-V270 PolarHBondContact O-N 2.82Å
268N95.8Very high97.4Very high151 Ų15165.3 Ų65.381%0.80733%0.334SS*.THydrogen-bonded Turntrans-56-19.1-178.7-69.4-24.9000115.5V270N268-V270 VanDerWaalsContact C-N 3.29Å
269I95.9Very high96.8Very high146 Ų14668 Ų6875%0.74936%0.361SS*.THydrogen-bonded Turntrans-70-28.5174.9-166.2166.6000111.8P267P267-I269 HydrophobicContact CB-CG2 4.08Å; P267-I269 PolarHBondContact O-N 3.49Å
270V98.3Very high96.2Very high20 Ų2065.5 Ų65.512%0.12136%0.361CS..SBendtrans-78.2122.4177.2-172.10000109.3V247 V250 L266 P267 N268 V272V247-V270 HydrophobicContact CG1-CG1 4.47Å; V247-V270 WeakPolarHBondContact O-CG2 3.24Å; V250-V270 HydrophobicContact CG2-CG1 3.78Å; L266-V270 HydrophobicContact CB-CB 4.45Å; L266-V270 HydrophobicContact CD1-CG1 4.15Å; P267-V270 HydrophobicContact CB-CG2 4.47Å; P267-V270 WeakPolarHBondContact O-CB 3.18Å; P267-V270 PolarHBondContact O-N 2.82Å; N268-V270 VanDerWaalsContact C-N 3.29Å; V270-V272 PolarHBondContact O-N 3.29Å
271K98.4Very high95.5Very high133 Ų13363.2 Ų63.258%0.57835%0.347SS*.EExtended strand (participates in β ladder)trans-84.1112.2177-61.1-56.7-178-168.10110.1D248 V249 V250D248-K271 PolarHBondContact O-N 3.46Å; V249-K271 CarbonylContact C-O 3.59Å; V249-K271 VanDerWaalsContact CA-O 3.29Å; V249-K271 WeakPolarHBondContact CA-O 3.38Å; V249-K271 HydrophobicContact CG2-CB 4.36Å; V250-K271 PolarHBondContact N-O 3.04Å
272V98.6Very high94.6Very high22 Ų2266.5 Ų66.513%0.13336%0.362CS..EExtended strand (participates in β ladder)trans-97.5125174.4-167.60000109.2V250 V252 Y259 L262 V263 L266 V270V250-V272 HydrophobicContact CB-CG1 4.42Å; V250-V272 HydrophobicContact CB-CG2 4.42Å; V250-V272 CarbonylContact O-C 3.53Å; V250-V272 WeakPolarHBondContact O-CA 3.17Å; V252-V272 HydrophobicContact CG2-CG1 3.84Å; Y259-V272 HydrophobicContact CD2-CG1 3.75Å; Y259-V272 HydrophobicContact CE2-CB 4.38Å; Y259-V272 HydrophobicContact CE2-CG1 4Å; L262-V272 HydrophobicContact CB-CG1 4.07Å; L262-V272 HydrophobicContact CB-CG2 4.47Å; V263-V272 HydrophobicContact CG2-CB 3.79Å; V263-V272 HydrophobicContact CG2-CG1 4.02Å; V263-V272 HydrophobicContact CG2-CG2 4.34Å; L266-V272 HydrophobicContact CD1-CG2 3.98Å; V270-V272 PolarHBondContact O-N 3.29Å
273V98.2Very high93.9Very high52 Ų5275.2 Ų75.232%0.31540%0.403SS..EExtended strand (participates in β ladder)trans-121.4147177.1-59.80000110.5V250 I251 V252 E275V250-V273 PolarHBondContact O-N 3.45Å; I251-V273 HydrophobicContact CB-CG2 3.99Å; I251-V273 HydrophobicContact CG1-CG2 3.61Å; I251-V273 HydrophobicContact CG2-CG2 4.02Å; V252-V273 PolarHBondContact N-O 3.42Å; V273-E275 HydrophobicContact CG2-CG 4.44Å
274H98.2Very high93.3Very high73 Ų7376.2 Ų76.234%0.33840%0.399SS..EExtended strand (participates in β ladder)trans-109.1127174.8179.1-105.8000109.1V252 H255 Y259V252-H274 WeakPolarHBondContact O-CA 3.42Å; H255-H274 PolarHBondContact N-NE2 3.24Å; Y259-H274 HydrophobicContact CD1-CB 4.36Å; Y259-H274 HydrophobicContact CD2-CB 3.65Å; Y259-H274 HydrophobicContact CE2-CB 4.01Å; Y259-H274 HydrophobicContact CG-CB 3.84Å
275E98Very high92.7Very high5 Ų571.3 Ų71.32%0.02339%0.39CS..EExtended strand (participates in β ladder)trans-131.5148.8-176.5-67.5-170.6-17000111.6I88 Y89 T92 Y126 I251 V252 I253 D254 V273I88-E275 HydrophobicContact CG2-CB 4.45Å; I88-E275 HydrophobicContact CG2-CG 3.93Å; Y89-E275 WeakPolarHBondContact CD1-OE2 3.45Å; T92-E275 WeakPolarHBondContact CB-OE1 3.42Å; T92-E275 WeakPolarHBondContact CG2-OE1 3.33Å; T92-E275 PolarHBondContact OG1-OE1 3.23Å; Y126-E275 WeakPolarHBondContact CE1-OE2 3.27Å; Y126-E275 VanDerWaalsContact CZ-OE2 3.26Å; Y126-E275 PolarHBondContact OH-OE1 2.86Å; Y126-E275 PolarHBondContact OH-OE2 3.34Å; I251-E275 HydrophobicContact CG2-CB 4.17Å; I251-E275 HydrophobicContact CG2-CG 3.94Å; V252-E275 PolarHBondContact O-N 3.26Å; I253-E275 WeakPolarHBondContact CA-O 3.43Å; D254-E275 PolarHBondContact N-O 3.37Å; V273-E275 HydrophobicContact CG2-CG 4.44Å
276P96.4Very high92.2Very high53 Ų5371.7 Ų71.734%0.34440%0.395SS..PPolyproline II helixtrans-72.6147.3178.229.6-33.6000111.5P85 I88 Y89P85-P276 HydrophobicContact CB-CG 4.1Å; I88-P276 HydrophobicContact CD1-CG 3.45Å; I88-P276 VanDerWaalsContact CD1-CG 3.45Å; Y89-P276 PolarHBondContact OH-O 2.89Å
277K94.8Very high91.8Very high77 Ų7776.8 Ų76.834%0.33542%0.419SS..PPolyproline II helixtrans-72.4155.7165.869.1179.5178.9-140.70110.8V121 I253 D254V121-K277 HydrophobicContact CB-CB 4.35Å; V121-K277 HydrophobicContact CG1-CD 4.49Å; V121-K277 WeakPolarHBondContact O-CB 3.46Å; I253-K277 HydrophobicContact CG2-CB 3.73Å; D254-K277 HydrophobicContact CB-CB 3.84Å; D254-K277 HydrophobicContact CB-CD 4.05Å; D254-K277 HydrophobicContact CB-CG 3.86Å; D254-K277 WeakPolarHBondContact OD2-CD 3.35Å; D254-K277 WeakPolarHBondContact OD2-CE 3.41Å; D254-K277 IonicContact OD2-NZ 2.72Å; D254-K277 PolarHBondContact OD2-NZ 2.85Å
278S90.4Very high91.3Very high23 Ų2374.8 Ų74.816%0.16141%0.409CS..PPolyproline II helixtrans-65.4135.6168.3174.90000110.5R21 G280 V281R21-S278 PolarHBondContact NH2-OG 3.32Å; S278-G280 PolarHBondContact O-N 3.04Å; S278-G280 PolarHBondContact OG-N 2.86Å; S278-V281 WeakPolarHBondContact O-CB 3.43Å; S278-V281 VanDerWaalsContact O-CG2 3.25Å; S278-V281 WeakPolarHBondContact O-CG2 3.27Å; S278-V281 PolarHBondContact O-N 2.85Å; S278-V281 VanDerWaalsContact O-N 3.08Å
279G87Confident91Very high57 Ų5770.7 Ų70.759%0.58838%0.382SS*.THydrogen-bonded Turntrans-66.6-3.5174.900000114.1R21 V281R21-G279 PolarHBondContact NH1-O 2.92Å; G279-V281 VanDerWaalsContact C-N 3.32Å
280G84.6Confident90.7Very high29 Ų2969.1 Ų69.130%0.29937%0.37SS..THydrogen-bonded Turntrans-91.84.1173.400000112.9S278S278-G280 PolarHBondContact O-N 3.04Å; S278-G280 PolarHBondContact OG-N 2.86Å
281V85.6Confident90.3Very high38 Ų3870 Ų7023%0.2338%0.379CS..  trans-85.1129.2177.2-177.90000109.6D120 S278 G279D120-V281 VanDerWaalsContact C-CG1 3.4Å; D120-V281 WeakPolarHBondContact O-CG1 3.44Å; S278-V281 WeakPolarHBondContact O-CB 3.43Å; S278-V281 VanDerWaalsContact O-CG2 3.25Å; S278-V281 WeakPolarHBondContact O-CG2 3.27Å; S278-V281 PolarHBondContact O-N 2.85Å; S278-V281 VanDerWaalsContact O-N 3.08Å; G279-V281 VanDerWaalsContact C-N 3.32Å
282E79.3Confident89.8Confident107 Ų10766.4 Ų66.450%0.537%0.366SS..  trans-115.7147.2176.2-64-168.7161.800111.5D120 R284D120-E282 WeakPolarHBondContact CB-O 3.42Å; E282-R284 PolarHBondContact O-N 3.26Å
283E83.4Confident89.6Confident182 Ų18268.4 Ų68.485%0.8537%0.371SS*.PPolyproline II helixtrans-68.6128.6171.6-67.3-173.7174.600110.3
284R84.6Confident89.3Confident91 Ų9172.4 Ų72.434%0.34338%0.381SS..PPolyproline II helixtrans-97.3134.8179.9-60.1-179.8-179.4112.7-5.7110.3D120 E282 A288 R289D120-R284 WeakPolarHBondContact OD1-CD 3.35Å; D120-R284 IonicContact OD1-CZ 3.96Å; D120-R284 IonicContact OD1-NE 2.65Å; D120-R284 IonicContact OD1-NH1 3.23Å; D120-R284 PolarHBondContact OD1-NH1 3.33Å; D120-R284 WeakPolarHBondContact OD2-CB 3.08Å; D120-R284 PolarHBondContact OD2-N 2.76Å; E282-R284 PolarHBondContact O-N 3.26Å; R284-A288 HydrophobicContact CB-CB 4.3Å; R284-R289 HydrophobicContact CB-CG 4.08Å
285S86.6Confident89Confident63 Ų6371.9 Ų71.944%0.44139%0.385SS..PPolyproline II helixtrans-62.2161170.371.10000111.9E287 A288 R289S285-E287 PolarHBondContact O-N 2.91Å; S285-A288 PolarHBondContact O-N 3.07Å; S285-A288 WeakPolarHBondContact OG-CB 3.36Å; S285-A288 PolarHBondContact OG-N 3.19Å; S285-A288 VanDerWaalsContact OG-N 3.07Å; S285-R289 WeakPolarHBondContact O-CG 3.21Å; S285-R289 PolarHBondContact O-N 2.9Å
286T87.7Confident88.8Confident84 Ų8473.7 Ų73.752%0.51539%0.392SS..Hα-helixtrans-58.3-36.9174.8-60.50000111.4R289 K290T286-R289 PolarHBondContact O-N 3.32Å; T286-K290 WeakPolarHBondContact O-CG 3.33Å; T286-K290 PolarHBondContact O-N 2.73Å
287E88.4Confident88.7Confident124 Ų12471.2 Ų71.258%0.57938%0.376SS*.Hα-helixtrans-67.9-46178.6-65.762.3-13300110.9S285 R289 K290 A291S285-E287 PolarHBondContact O-N 2.91Å; E287-R289 VanDerWaalsContact C-N 3.28Å; E287-R289 PolarHBondContact O-N 3.4Å; E287-K290 WeakPolarHBondContact O-CB 3.47Å; E287-K290 PolarHBondContact O-N 3.18Å; E287-K290 VanDerWaalsContact O-N 3.17Å; E287-A291 WeakPolarHBondContact O-CB 3.44Å; E287-A291 PolarHBondContact O-N 3.39Å
288A86.7Confident88.7Confident41 Ų4171.2 Ų71.234%0.33938%0.377SS..Hα-helixtrans-60.3-39.9175.900000111.4R284 S285 A291 L292R284-A288 HydrophobicContact CB-CB 4.3Å; S285-A288 PolarHBondContact O-N 3.07Å; S285-A288 WeakPolarHBondContact OG-CB 3.36Å; S285-A288 PolarHBondContact OG-N 3.19Å; S285-A288 VanDerWaalsContact OG-N 3.07Å; A288-A291 PolarHBondContact O-N 2.83Å; A288-L292 PolarHBondContact O-N 3.02Å
289R89.2Confident88.9Confident64 Ų6471.8 Ų71.824%0.24238%0.377CS..Hα-helixtrans-65-41.5174.6-72-179.4-173176.59.5112.7T119 D120 Q150 R284 S285 T286 E287 A291 L292 R293T119-R289 PolarHBondContact OG1-NH2 3.13Å; D120-R289 IonicContact OD2-CZ 3.19Å; D120-R289 IonicContact OD2-NE 3.24Å; D120-R289 PolarHBondContact OD2-NE 3.02Å; D120-R289 IonicContact OD2-NH2 2.67Å; D120-R289 PolarHBondContact OD2-NH2 3.04Å; Q150-R289 PolarHBondContact NE2-O 2.86Å; R284-R289 HydrophobicContact CB-CG 4.08Å; S285-R289 WeakPolarHBondContact O-CG 3.21Å; S285-R289 PolarHBondContact O-N 2.9Å; T286-R289 PolarHBondContact O-N 3.32Å; E287-R289 VanDerWaalsContact C-N 3.28Å; E287-R289 PolarHBondContact O-N 3.4Å; R289-A291 VanDerWaalsContact C-N 3.34Å; R289-L292 PolarHBondContact O-N 3.13Å; R289-R293 PolarHBondContact O-N 3.45Å; R289-R293 VanDerWaalsContact O-N 3.1Å
290K89.9Confident89.3Confident113 Ų11371.8 Ų71.849%0.49136%0.359SS..Hα-helixtrans-62-42.9173.4-76.1172.2179.6176.20111.2T286 E287 R293 R294T286-K290 WeakPolarHBondContact O-CG 3.33Å; T286-K290 PolarHBondContact O-N 2.73Å; E287-K290 WeakPolarHBondContact O-CB 3.47Å; E287-K290 PolarHBondContact O-N 3.18Å; E287-K290 VanDerWaalsContact O-N 3.17Å; K290-R293 PolarHBondContact O-N 2.78Å; K290-R294 PolarHBondContact O-N 3.35Å
291A89.3Confident89.8Confident38 Ų3870.4 Ų70.431%0.31435%0.345SS..Hα-helixtrans-63-42.7177.700000111.9E287 A288 R289 R294 S295E287-A291 WeakPolarHBondContact O-CB 3.44Å; E287-A291 PolarHBondContact O-N 3.39Å; A288-A291 PolarHBondContact O-N 2.83Å; R289-A291 VanDerWaalsContact C-N 3.34Å; A291-R294 PolarHBondContact O-N 3.05Å; A291-S295 WeakPolarHBondContact O-CB 3.49Å; A291-S295 PolarHBondContact O-N 2.91Å
292L89.3Confident90.3Very high59 Ų5970.4 Ų70.431%0.30934%0.341SS..Hα-helixtrans-63.5-42.8176.9-175.260.2000112.2A288 R289 R294 S295 R296A288-L292 PolarHBondContact O-N 3.02Å; R289-L292 PolarHBondContact O-N 3.13Å; L292-R294 VanDerWaalsContact C-N 3.32Å; L292-R294 PolarHBondContact O-N 2.81Å; L292-S295 WeakPolarHBondContact O-CB 3.18Å; L292-S295 PolarHBondContact O-N 3.23Å; L292-S295 VanDerWaalsContact O-N 3.15Å; L292-R296 WeakPolarHBondContact O-CG 3.39Å; L292-R296 PolarHBondContact O-N 3.13Å
293R93Very high90.9Very high64 Ų6465.7 Ų65.724%0.24232%0.322CS..Hα-helixtrans-57.4-45.8173.3-77-163.3-61.7-848.6112G149 P156 R289 K290 S295 R296 V297G149-R293 WeakPolarHBondContact O-CD 3.28Å; G149-R293 WeakPolarHBondContact O-CG 2.94Å; P156-R293 HydrophobicContact CB-CG 4.13Å; P156-R293 HydrophobicContact CG-CB 3.74Å; P156-R293 HydrophobicContact CG-CG 3.65Å; R289-R293 PolarHBondContact O-N 3.45Å; R289-R293 VanDerWaalsContact O-N 3.1Å; K290-R293 PolarHBondContact O-N 2.78Å; R293-S295 VanDerWaalsContact C-N 3.33Å; R293-R296 WeakPolarHBondContact O-CB 3.42Å; R293-R296 PolarHBondContact O-N 2.81Å; R293-V297 PolarHBondContact O-N 2.65Å; R293-V297 VanDerWaalsContact O-N 3.16Å
294R92.9Very high91.1Very high136 Ų13658.6 Ų58.651%0.51329%0.291SS..Hα-helixtrans-63.3-41.1176-176.1174.860.1-139.3-2.1111.5K290 A291 L292 R296 V297 H298 F418K290-R294 PolarHBondContact O-N 3.35Å; A291-R294 PolarHBondContact O-N 3.05Å; L292-R294 VanDerWaalsContact C-N 3.32Å; L292-R294 PolarHBondContact O-N 2.81Å; R294-R296 VanDerWaalsContact C-N 3.29Å; R294-R296 PolarHBondContact O-N 2.94Å; R294-V297 PolarHBondContact O-N 2.82Å; R294-H298 WeakPolarHBondContact O-CB 3.43Å; R294-H298 PolarHBondContact O-N 3.16Å; R294-F418 HydrophobicContact CG-CD2 4.16Å; R294-F418 HydrophobicContact CG-CE2 4.18Å
295S91.6Very high91.1Very high62 Ų6258.8 Ų58.843%0.43431%0.312SS..Hα-helixtrans-61-37.6175.8-168.10000111.9A291 L292 R293 H298 E299A291-S295 WeakPolarHBondContact O-CB 3.49Å; A291-S295 PolarHBondContact O-N 2.91Å; L292-S295 WeakPolarHBondContact O-CB 3.18Å; L292-S295 PolarHBondContact O-N 3.23Å; L292-S295 VanDerWaalsContact O-N 3.15Å; R293-S295 VanDerWaalsContact C-N 3.33Å; S295-H298 WeakPolarHBondContact O-CB 3.42Å; S295-H298 PolarHBondContact O-N 2.85Å; S295-E299 WeakPolarHBondContact O-CB 3.42Å; S295-E299 PolarHBondContact O-N 2.87Å
296R93.3Very high91Very high43 Ų4359.6 Ų59.616%0.16231%0.309CS..Hα-helixtrans-64.8-42.6175.1-76.2-57.7-151.9-154.8-0.4113G151 H152 P156 L292 R293 R294 H298 E299 Y300G151-R296 PolarHBondContact O-NE 2.71Å; H152-R296 PolarHBondContact CD2-NH2 3.06Å; H152-R296 PolarHBondContact CE1-NH2 2.85Å; H152-R296 VanDerWaalsContact CE1-NH2 3.33Å; H152-R296 PolarHBondContact ND1-NH2 3.28Å; P156-R296 HydrophobicContact CG-CB 4.46Å; L292-R296 WeakPolarHBondContact O-CG 3.39Å; L292-R296 PolarHBondContact O-N 3.13Å; R293-R296 WeakPolarHBondContact O-CB 3.42Å; R293-R296 PolarHBondContact O-N 2.81Å; R294-R296 VanDerWaalsContact C-N 3.29Å; R294-R296 PolarHBondContact O-N 2.94Å; R296-H298 VanDerWaalsContact C-N 3.32Å; R296-E299 IonicContact CZ-OE2 3.12Å; R296-E299 IonicContact NH1-OE1 3.85Å; R296-E299 IonicContact NH1-OE2 2.84Å; R296-E299 PolarHBondContact NH1-OE2 3.15Å; R296-E299 PolarHBondContact O-N 2.9Å; R296-Y300 PolarHBondContact O-N 3.23Å
297V95.9Very high91Very high1 Ų161 Ų611%0.00631%0.309CS..Hα-helixtrans-67.8-36.7175.1-174.30000110.9I155 R293 R294 Y300 F301 M362 I416 F418I155-V297 HydrophobicContact CB-CG2 4.19Å; I155-V297 HydrophobicContact CG2-CG2 4.21Å; R293-V297 PolarHBondContact O-N 2.65Å; R293-V297 VanDerWaalsContact O-N 3.16Å; R294-V297 PolarHBondContact O-N 2.82Å; V297-Y300 WeakPolarHBondContact O-CB 3.38Å; V297-Y300 PolarHBondContact O-N 2.9Å; V297-F301 HydrophobicContact CG1-CD2 4.11Å; V297-F301 HydrophobicContact CG1-CE2 3.87Å; V297-F301 WeakPolarHBondContact O-CD2 3.38Å; V297-F301 PolarHBondContact O-N 3.18Å; V297-M362 HydrophobicContact CG1-CE 4.05Å; V297-M362 HydrophobicContact CG1-SD 3.69Å; V297-I416 HydrophobicContact CG2-CG2 4.35Å; V297-F418 HydrophobicContact CB-CB 4.3Å; V297-F418 HydrophobicContact CB-CD2 3.67Å; V297-F418 HydrophobicContact CB-CE2 4.2Å; V297-F418 HydrophobicContact CB-CG 4.06Å; V297-F418 HydrophobicContact CG1-CB 3.6Å; V297-F418 HydrophobicContact CG1-CD1 3.96Å; V297-F418 HydrophobicContact CG1-CD2 3.58Å; V297-F418 HydrophobicContact CG1-CE2 4.22Å; V297-F418 HydrophobicContact CG1-CG 3.43Å; V297-F418 VanDerWaalsContact CG1-CG 3.43Å
298H94.7Very high91.2Very high77 Ų7758.6 Ų58.636%0.35631%0.305SS..Hα-helixtrans-61.5-50.1173.1-174.582.3000111.6R294 S295 R296 Y300 F301 Y302 F418R294-H298 WeakPolarHBondContact O-CB 3.43Å; R294-H298 PolarHBondContact O-N 3.16Å; S295-H298 WeakPolarHBondContact O-CB 3.42Å; S295-H298 PolarHBondContact O-N 2.85Å; R296-H298 VanDerWaalsContact C-N 3.32Å; H298-Y300 PolarHBondContact O-N 3.34Å; H298-F301 PolarHBondContact O-N 2.93Å; H298-Y302 AromaticContact CE1-CD2 3.31Å; H298-Y302 WeakPolarHBondContact CE1-CD2 3.46Å; H298-Y302 AromaticContact CE1-CE2 3.88Å; H298-Y302 AromaticContact CE1-CG 3.71Å; H298-Y302 AromaticContact CG-CD2 3.83Å; H298-Y302 AromaticContact ND1-CD2 3.28Å; H298-Y302 VanDerWaalsContact ND1-CD2 3.28Å; H298-Y302 WeakPolarHBondContact ND1-CD2 3.11Å; H298-Y302 AromaticContact ND1-CE2 3.67Å; H298-Y302 AromaticContact NE2-CD2 3.89Å; H298-Y302 VanDerWaalsContact O-CD2 3.31Å; H298-Y302 WeakPolarHBondContact O-CD2 3.33Å; H298-Y302 PolarHBondContact O-N 2.98Å; H298-F418 HydrophobicContact CB-CE2 3.95Å; H298-F418 HydrophobicContact CB-CZ 4.11Å
299E93.2Very high91.6Very high34 Ų3461.6 Ų61.616%0.15931%0.31CS..Hα-helixtrans-56.8-34.8176.6-169.9-166.2140.100112.1K176 S295 R296 F301 G303 T304K176-E299 IonicContact NZ-OE1 3.46Å; K176-E299 PolarHBondContact NZ-OE1 3.4Å; S295-E299 WeakPolarHBondContact O-CB 3.42Å; S295-E299 PolarHBondContact O-N 2.87Å; R296-E299 IonicContact CZ-OE2 3.12Å; R296-E299 IonicContact NH1-OE1 3.85Å; R296-E299 IonicContact NH1-OE2 2.84Å; R296-E299 PolarHBondContact NH1-OE2 3.15Å; R296-E299 PolarHBondContact O-N 2.9Å; E299-F301 VanDerWaalsContact C-N 3.34Å; E299-F301 PolarHBondContact O-N 3.46Å; E299-G303 WeakPolarHBondContact O-CA 3.46Å; E299-G303 PolarHBondContact O-N 3.39Å; E299-T304 HydrophobicContact CG-CG2 4.06Å
300Y95.4Very high91.9Very high57 Ų5766.4 Ų66.422%0.22433%0.333CS..Hα-helixtrans-61.3-39.2175.8175.8-100.2000113.2I155 R296 V297 H298 G382 F383 P401I155-Y300 HydrophobicContact CG2-CD1 4.14Å; I155-Y300 HydrophobicContact CG2-CD2 4.09Å; I155-Y300 HydrophobicContact CG2-CG 3.68Å; R296-Y300 PolarHBondContact O-N 3.23Å; V297-Y300 WeakPolarHBondContact O-CB 3.38Å; V297-Y300 PolarHBondContact O-N 2.9Å; H298-Y300 PolarHBondContact O-N 3.34Å; Y300-G382 WeakPolarHBondContact OH-CA 3.46Å; Y300-F383 HydrophobicContact CE1-CB 3.92Å; Y300-F383 WeakPolarHBondContact CE1-O 3.34Å; Y300-F383 PolarHBondContact OH-N 3.38Å; Y300-P401 HydrophobicContact CD1-CG 4.31Å; Y300-P401 HydrophobicContact CE1-CG 3.44Å; Y300-P401 VanDerWaalsContact CE1-CG 3.44Å
301F96.1Very high92.2Very high1 Ų162.4 Ų62.40%0.00432%0.319CS..Hα-helixtrans-90.2-37.9-179-73.9-69.6000113.8V297 H298 E299 F309 P311 M362 C385 L399 P401 F418V297-F301 HydrophobicContact CG1-CD2 4.11Å; V297-F301 HydrophobicContact CG1-CE2 3.87Å; V297-F301 WeakPolarHBondContact O-CD2 3.38Å; V297-F301 PolarHBondContact O-N 3.18Å; H298-F301 PolarHBondContact O-N 2.93Å; E299-F301 VanDerWaalsContact C-N 3.34Å; E299-F301 PolarHBondContact O-N 3.46Å; F301-F309 WeakPolarHBondContact O-CB 3.37Å; F301-P311 HydrophobicContact CB-CB 4.15Å; F301-P311 HydrophobicContact CB-CG 4.16Å; F301-P311 HydrophobicContact CD1-CB 4.1Å; F301-P311 WeakPolarHBondContact O-CD 3.29Å; F301-M362 HydrophobicContact CE2-CE 3.6Å; F301-M362 HydrophobicContact CE2-SD 4.01Å; F301-M362 HydrophobicContact CZ-CE 3.63Å; F301-M362 HydrophobicContact CZ-SD 4.36Å; F301-C385 HydrophobicContact CE2-CB 4.05Å; F301-C385 HydrophobicContact CZ-CB 3.88Å; F301-L399 HydrophobicContact CB-CD2 4.2Å; F301-L399 HydrophobicContact CD1-CD2 3.88Å; F301-L399 HydrophobicContact CD1-CG 3.9Å; F301-L399 HydrophobicContact CD2-CD2 3.9Å; F301-L399 HydrophobicContact CE1-CB 4.4Å; F301-L399 HydrophobicContact CE1-CD2 4.16Å; F301-L399 HydrophobicContact CE1-CG 4.01Å; F301-L399 WeakPolarHBondContact CE1-O 3.49Å; F301-L399 HydrophobicContact CE2-CD2 4.18Å; F301-L399 HydrophobicContact CG-CD2 3.74Å; F301-L399 HydrophobicContact CG-CG 4.29Å; F301-L399 HydrophobicContact CZ-CD2 4.3Å; F301-L399 HydrophobicContact CZ-CG 4.48Å; F301-P401 HydrophobicContact CD1-CG 4.02Å; F301-P401 HydrophobicContact CE1-CG 4.03Å; F301-F418 HydrophobicContact CD2-CD1 4.27Å; F301-F418 HydrophobicContact CD2-CE1 4.06Å; F301-F418 HydrophobicContact CE2-CD1 4.18Å; F301-F418 HydrophobicContact CE2-CE1 4.41Å
302Y94.8Very high92.5Very high37 Ų3764.3 Ų64.315%0.14532%0.321CS..Hα-helixtrans-109.6-3.7-170.2-58.8-84000113.5H298 P308 F309 P311 L399 F418 D420 L422H298-Y302 AromaticContact CE1-CD2 3.31Å; H298-Y302 WeakPolarHBondContact CE1-CD2 3.46Å; H298-Y302 AromaticContact CE1-CE2 3.88Å; H298-Y302 AromaticContact CE1-CG 3.71Å; H298-Y302 AromaticContact CG-CD2 3.83Å; H298-Y302 AromaticContact ND1-CD2 3.28Å; H298-Y302 VanDerWaalsContact ND1-CD2 3.28Å; H298-Y302 WeakPolarHBondContact ND1-CD2 3.11Å; H298-Y302 AromaticContact ND1-CE2 3.67Å; H298-Y302 AromaticContact NE2-CD2 3.89Å; H298-Y302 VanDerWaalsContact O-CD2 3.31Å; H298-Y302 WeakPolarHBondContact O-CD2 3.33Å; H298-Y302 PolarHBondContact O-N 2.98Å; Y302-P308 WeakPolarHBondContact O-CA 3.35Å; Y302-F309 PolarHBondContact O-N 2.95Å; Y302-P311 HydrophobicContact CD1-CG 3.81Å; Y302-P311 HydrophobicContact CE1-CG 3.42Å; Y302-P311 VanDerWaalsContact CE1-CG 3.42Å; Y302-P311 HydrophobicContact CE2-CG 4.42Å; Y302-P311 HydrophobicContact CG-CG 4.48Å; Y302-L399 HydrophobicContact CE2-CD2 4.35Å; Y302-L399 WeakPolarHBondContact OH-CD2 3.24Å; Y302-F418 HydrophobicContact CE2-CE1 4.39Å; Y302-F418 HydrophobicContact CE2-CZ 4.26Å; Y302-D420 PolarHBondContact OH-OD1 3.22Å; Y302-D420 PolarHBondContact OH-OD2 3.46Å; Y302-L422 HydrophobicContact CD1-CD1 4.46Å; Y302-L422 HydrophobicContact CE1-CD1 3.99Å
303G92.2Very high92.8Very high9 Ų964.8 Ų64.89%0.09333%0.33CS..BIsolated β-bridgetrans69.3-154-179.100000112.6E299 Q307 F309E299-G303 WeakPolarHBondContact O-CA 3.46Å; E299-G303 PolarHBondContact O-N 3.39Å; G303-Q307 WeakPolarHBondContact CA-O 3.3Å; G303-F309 VanDerWaalsContact N-CD2 3.33Å
304T88Confident93Very high32 Ų3263 Ų6320%0.19632%0.324CS..  trans-108.3172.3177.169.50000110.5D172 E299 Q306 Q307 P308D172-T304 WeakPolarHBondContact OD1-CB 3.41Å; D172-T304 VanDerWaalsContact OD1-CG2 3.28Å; D172-T304 WeakPolarHBondContact OD1-CG2 3.27Å; D172-T304 PolarHBondContact OD1-OG1 2.91Å; E299-T304 HydrophobicContact CG-CG2 4.06Å; T304-Q306 PolarHBondContact O-N 3.32Å; T304-Q306 PolarHBondContact OG1-N 2.76Å; T304-Q307 PolarHBondContact N-O 3.24Å; T304-Q307 CarbonylContact O-C 3.52Å; T304-Q307 PolarHBondContact O-N 3.49Å; T304-Q307 PolarHBondContact OG1-N 3.01Å; T304-P308 WeakPolarHBondContact O-CA 3.4Å; T304-P308 VanDerWaalsContact O-N 3.13Å
305A84Confident93.2Very high95 Ų9560.4 Ų60.479%0.78532%0.32SS*.SBendtrans-61.1-30.5174.200000112.2
306Q84.9Confident93.4Very high80 Ų8057.7 Ų57.737%0.37430%0.3SS..SBendtrans-81-33.3178.2-68.672.817.900112.2A52 T304A52-Q306 PolarHBondContact O-NE2 2.88Å; T304-Q306 PolarHBondContact O-N 3.32Å; T304-Q306 PolarHBondContact OG1-N 2.76Å
307Q88.2Confident93.6Very high113 Ų11357.2 Ų57.253%0.52830%0.303SS..SBendtrans-13174.4-177.6-60.9-171.3-5.400109.9G303 T304 F309G303-Q307 WeakPolarHBondContact CA-O 3.3Å; T304-Q307 PolarHBondContact N-O 3.24Å; T304-Q307 CarbonylContact O-C 3.52Å; T304-Q307 PolarHBondContact O-N 3.49Å; T304-Q307 PolarHBondContact OG1-N 3.01Å; Q307-F309 HydrophobicContact CB-CE1 4.44Å
308P92.8Very high93.7Very high75 Ų7558.1 Ų58.149%0.48731%0.307SS..BIsolated β-bridgetrans-70.7138.5-178.528.5-34.6000111Y302 T304 F310Y302-P308 WeakPolarHBondContact O-CA 3.35Å; T304-P308 WeakPolarHBondContact O-CA 3.4Å; T304-P308 VanDerWaalsContact O-N 3.13Å; P308-F310 HydrophobicContact CB-CZ 4.38Å
309F94.3Very high93.7Very high104 Ų10459.6 Ų59.646%0.45633%0.326SS..  trans-109.9155.9171.3-54.3-29.8000110.2F301 Y302 G303 Q307F301-F309 WeakPolarHBondContact O-CB 3.37Å; Y302-F309 PolarHBondContact O-N 2.95Å; G303-F309 VanDerWaalsContact N-CD2 3.33Å; Q307-F309 HydrophobicContact CB-CE1 4.44Å
310F95.3Very high93.8Very high164 Ų16462.9 Ų62.972%0.71934%0.342SS*.  trans-124.290.9-177.3-59.4-82.1000108.4P308P308-F310 HydrophobicContact CB-CZ 4.38Å
311P96.3Very high93.7Very high29 Ų2960.7 Ų60.719%0.18833%0.334CS..  trans-69.9159-17831.7-35.1000110.7F301 Y302 L399 S400F301-P311 HydrophobicContact CB-CB 4.15Å; F301-P311 HydrophobicContact CB-CG 4.16Å; F301-P311 HydrophobicContact CD1-CB 4.1Å; F301-P311 WeakPolarHBondContact O-CD 3.29Å; Y302-P311 HydrophobicContact CD1-CG 3.81Å; Y302-P311 HydrophobicContact CE1-CG 3.42Å; Y302-P311 VanDerWaalsContact CE1-CG 3.42Å; Y302-P311 HydrophobicContact CE2-CG 4.42Å; Y302-P311 HydrophobicContact CG-CG 4.48Å; P311-L399 HydrophobicContact CB-CD1 3.74Å; P311-L399 HydrophobicContact CB-CG 4.07Å; P311-L399 HydrophobicContact CG-CD1 3.83Å; P311-L399 HydrophobicContact CG-CG 4.41Å; P311-S400 CarbonylContact C-O 3.43Å; P311-S400 WeakPolarHBondContact CA-O 3.48Å
312H96.4Very high93.7Very high79 Ų7964.4 Ų64.437%0.36635%0.354SS..EExtended strand (participates in β ladder)trans-106.2142.1-178.3-63.4-86000110.8F314 L399 S400H312-F314 HydrophobicContact CB-CD1 4.25Å; H312-F314 HydrophobicContact CB-CE1 4.42Å; H312-L399 CarbonylContact O-C 3.55Å; H312-L399 WeakPolarHBondContact O-CA 3.35Å; H312-S400 PolarHBondContact N-O 3.4Å; H312-S400 PolarHBondContact O-N 3.18Å
313S95.9Very high93.7Very high69 Ų6962.8 Ų62.848%0.48335%0.348SS..EExtended strand (participates in β ladder)trans-112.1129.1169.5-168.30000110.8T397 V398S313-T397 VanDerWaalsContact OG-CG2 3.27Å; S313-T397 WeakPolarHBondContact OG-CG2 3.44Å; S313-V398 VanDerWaalsContact CA-O 3.26Å; S313-V398 WeakPolarHBondContact CA-O 3.16Å; S313-V398 PolarHBondContact OG-O 2.86Å
314F97Very high93.8Very high27 Ų2763.1 Ų63.112%0.11835%0.346CS..EExtended strand (participates in β ladder)trans-155.8159.817756.7-93.2000112H312 I316 T397 V398 R404 L406H312-F314 HydrophobicContact CB-CD1 4.25Å; H312-F314 HydrophobicContact CB-CE1 4.42Å; F314-I316 HydrophobicContact CD2-CD1 4.45Å; F314-I316 HydrophobicContact CD2-CG1 3.91Å; F314-I316 HydrophobicContact CE2-CD1 3.8Å; F314-I316 HydrophobicContact CE2-CG1 3.71Å; F314-T397 WeakPolarHBondContact O-CA 3.17Å; F314-V398 HydrophobicContact CD2-CG2 4.11Å; F314-V398 HydrophobicContact CE1-CG2 4.45Å; F314-V398 HydrophobicContact CE2-CG2 3.81Å; F314-V398 HydrophobicContact CZ-CG2 3.99Å; F314-V398 PolarHBondContact N-O 3.15Å; F314-V398 PolarHBondContact O-N 2.82Å; F314-R404 HydrophobicContact CD1-CB 4.26Å; F314-R404 HydrophobicContact CD2-CB 3.85Å; F314-R404 HydrophobicContact CE1-CB 4.25Å; F314-R404 HydrophobicContact CE2-CB 3.84Å; F314-R404 HydrophobicContact CG-CB 4.06Å; F314-R404 HydrophobicContact CZ-CB 4.05Å; F314-L406 HydrophobicContact CE2-CD2 4.48Å; F314-L406 HydrophobicContact CZ-CD2 3.99Å
315D96.9Very high94Very high81 Ų8164.5 Ų64.543%0.43335%0.35SS..EExtended strand (participates in β ladder)trans-85.4142.7177.3-70-14.3000111.6N395 M396 T397D315-N395 PolarHBondContact OD2-ND2 2.63Å; D315-M396 CarbonylContact C-O 3.55Å; D315-M396 WeakPolarHBondContact CA-O 3.4Å; D315-T397 WeakPolarHBondContact OD1-CB 3.23Å; D315-T397 PolarHBondContact OD1-OG1 2.69Å
316I96.9Very high94.4Very high4 Ų460.9 Ų60.92%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-125.3125.5172.7-59179.9000107.9F314 E320 V321 I384 N395 M396 V398 L406F314-I316 HydrophobicContact CD2-CD1 4.45Å; F314-I316 HydrophobicContact CD2-CG1 3.91Å; F314-I316 HydrophobicContact CE2-CD1 3.8Å; F314-I316 HydrophobicContact CE2-CG1 3.71Å; I316-E320 HydrophobicContact CG2-CB 4.14Å; I316-V321 HydrophobicContact CG2-CG1 3.67Å; I316-V321 HydrophobicContact CG2-CG2 4.22Å; I316-I384 HydrophobicContact CD1-CD1 4.44Å; I316-N395 CarbonylContact O-C 3.51Å; I316-N395 VanDerWaalsContact O-CA 3.3Å; I316-N395 WeakPolarHBondContact O-CA 3.21Å; I316-N395 WeakPolarHBondContact O-CB 3.47Å; I316-M396 HydrophobicContact CB-CE 4.2Å; I316-M396 HydrophobicContact CB-CG 4.28Å; I316-M396 HydrophobicContact CD1-CE 4.36Å; I316-M396 HydrophobicContact CG2-CE 4.12Å; I316-M396 PolarHBondContact N-O 3.4Å; I316-M396 PolarHBondContact O-N 3.44Å; I316-V398 HydrophobicContact CD1-CB 4.44Å; I316-V398 HydrophobicContact CD1-CG1 3.97Å; I316-V398 HydrophobicContact CD1-CG2 3.6Å; I316-V398 HydrophobicContact CG1-CG2 4.09Å; I316-L406 HydrophobicContact CD1-CD1 3.52Å; I316-L406 HydrophobicContact CD1-CG 3.95Å
317S97.1Very high94.6Very high33 Ų3357.7 Ų57.723%0.23131%0.306CS..EExtended strand (participates in β ladder)trans-65.7143.1172.51790000110.9S319 E320S317-S319 PolarHBondContact O-N 2.93Å; S317-S319 VanDerWaalsContact O-N 3.13Å; S317-S319 PolarHBondContact OG-N 3.07Å; S317-S319 PolarHBondContact OG-OG 3.23Å; S317-E320 VanDerWaalsContact CB-OE1 3.23Å; S317-E320 WeakPolarHBondContact CB-OE1 3.33Å; S317-E320 PolarHBondContact N-OE1 3.22Å; S317-E320 WeakPolarHBondContact O-CB 3.47Å; S317-E320 PolarHBondContact O-N 3.39Å
318F97.2Very high94.1Very high20 Ų2053.6 Ų53.69%0.08829%0.291CS..G310 helixtrans-56.2-30.8175.4-67.4-7.6000112.6E320 P354 V389 M391 Q394 N395 M396F318-E320 VanDerWaalsContact C-N 3.3Å; F318-E320 PolarHBondContact O-N 2.9Å; F318-P354 HydrophobicContact CB-CB 4.13Å; F318-P354 HydrophobicContact CB-CG 3.99Å; F318-P354 HydrophobicContact CD1-CB 3.49Å; F318-P354 VanDerWaalsContact CD1-CB 3.49Å; F318-P354 HydrophobicContact CD1-CG 4.19Å; F318-P354 HydrophobicContact CD2-CB 3.95Å; F318-P354 HydrophobicContact CE1-CB 3.78Å; F318-P354 HydrophobicContact CE2-CB 4.22Å; F318-P354 HydrophobicContact CG-CB 3.59Å; F318-P354 HydrophobicContact CG-CG 4.03Å; F318-P354 HydrophobicContact CZ-CB 4.16Å; F318-V389 HydrophobicContact CE1-CG1 4.16Å; F318-V389 HydrophobicContact CZ-CG1 3.73Å; F318-M391 HydrophobicContact CE2-CE 4.44Å; F318-M391 HydrophobicContact CE2-SD 3.89Å; F318-M391 HydrophobicContact CZ-SD 4.07Å; F318-Q394 WeakPolarHBondContact CB-O 3.38Å; F318-Q394 WeakPolarHBondContact CD1-O 3.36Å; F318-Q394 HydrophobicContact CD2-CB 3.96Å; F318-Q394 HydrophobicContact CE2-CB 4.41Å; F318-Q394 HydrophobicContact CG-CB 4.42Å; F318-Q394 VanDerWaalsContact CG-O 3.23Å; F318-Q394 WeakPolarHBondContact CG-O 3.41Å; F318-Q394 PolarHBondContact N-O 2.81Å; F318-N395 VanDerWaalsContact CE1-O 3.24Å; F318-N395 WeakPolarHBondContact CE1-O 3.07Å; F318-M396 HydrophobicContact CE1-CB 4.18Å
319S95.5Very high93Very high108 Ų10855.7 Ų55.776%0.75531%0.305SS*.G310 helixtrans-76.8-12.8178.863.70000114.2S317S317-S319 PolarHBondContact O-N 2.93Å; S317-S319 VanDerWaalsContact O-N 3.13Å; S317-S319 PolarHBondContact OG-N 3.07Å; S317-S319 PolarHBondContact OG-OG 3.23Å
320E93.9Very high91.8Very high103 Ų10356.7 Ų56.748%0.48131%0.314SS..G310 helixtrans-84-17.8-177.8-75.6173-132.500113.2I316 S317 F318 K409I316-E320 HydrophobicContact CG2-CB 4.14Å; S317-E320 VanDerWaalsContact CB-OE1 3.23Å; S317-E320 WeakPolarHBondContact CB-OE1 3.33Å; S317-E320 PolarHBondContact N-OE1 3.22Å; S317-E320 WeakPolarHBondContact O-CB 3.47Å; S317-E320 PolarHBondContact O-N 3.39Å; F318-E320 VanDerWaalsContact C-N 3.3Å; F318-E320 PolarHBondContact O-N 2.9Å; E320-K409 WeakPolarHBondContact O-CB 3.33Å; E320-K409 VanDerWaalsContact O-CD 3.25Å; E320-K409 WeakPolarHBondContact O-CD 3.36Å; E320-K409 VanDerWaalsContact O-CG 3.25Å; E320-K409 WeakPolarHBondContact O-CG 3.44Å
321V95.2Very high90.5Very high11 Ų1154.6 Ų54.67%0.06731%0.31CS..  trans-130.3153.1-172.6-65.40000112.1I316 I323 M396 L406 K409 L411I316-V321 HydrophobicContact CG2-CG1 3.67Å; I316-V321 HydrophobicContact CG2-CG2 4.22Å; V321-I323 HydrophobicContact CG2-CD1 4.33Å; V321-I323 HydrophobicContact CG2-CG1 4.18Å; V321-M396 HydrophobicContact CG2-CE 3.76Å; V321-L406 HydrophobicContact CG1-CD1 4.45Å; V321-K409 CarbonylContact C-O 3.58Å; V321-K409 WeakPolarHBondContact CA-O 3.46Å; V321-K409 WeakPolarHBondContact CB-O 3.26Å; V321-L411 HydrophobicContact CB-CD1 4Å; V321-L411 HydrophobicContact CB-CG 4.41Å; V321-L411 HydrophobicContact CG1-CD1 3.96Å; V321-L411 HydrophobicContact CG1-CG 4.47Å; V321-L411 HydrophobicContact CG2-CD1 4.3Å
322L95Very high89.3Confident79 Ų7956.7 Ų56.741%0.41432%0.323SS..EExtended strand (participates in β ladder)trans-112.5118.2170.5-59.8175.7000107.5F324 A371 K409 L411L322-F324 HydrophobicContact CB-CD2 4.43Å; L322-F324 HydrophobicContact CB-CE2 3.59Å; L322-F324 HydrophobicContact CB-CZ 4.06Å; L322-F324 HydrophobicContact CD1-CE2 4.5Å; L322-A371 HydrophobicContact CD1-CB 4.38Å; L322-K409 PolarHBondContact N-O 3.43Å; L322-L411 PolarHBondContact O-N 2.89Å
323I95.4Very high88.2Confident3 Ų359 Ų592%0.01534%0.338CS..EExtended strand (participates in β ladder)trans-105.7129.9-179.2-54.5177.2000108.8V321 V352 P354 L358 L363 M396 L411 W413V321-I323 HydrophobicContact CG2-CD1 4.33Å; V321-I323 HydrophobicContact CG2-CG1 4.18Å; I323-V352 HydrophobicContact CB-CB 4.39Å; I323-V352 HydrophobicContact CG2-CB 4.15Å; I323-V352 PolarHBondContact O-N 3.04Å; I323-P354 HydrophobicContact CD1-CB 4.35Å; I323-P354 HydrophobicContact CD1-CG 3.99Å; I323-L358 HydrophobicContact CD1-CD1 3.46Å; I323-L358 VanDerWaalsContact CD1-CD1 3.46Å; I323-L358 HydrophobicContact CG2-CD2 4.41Å; I323-L363 HydrophobicContact CD1-CD1 4.18Å; I323-L363 HydrophobicContact CG2-CD2 4.48Å; I323-M396 HydrophobicContact CD1-CE 4.24Å; I323-M396 HydrophobicContact CD1-SD 4.39Å; I323-L411 WeakPolarHBondContact CA-O 3.24Å; I323-L411 HydrophobicContact CG1-CB 4.27Å; I323-L411 HydrophobicContact CG1-CD1 4.33Å; I323-W413 HydrophobicContact CG2-CB 4.17Å
324F94.3Very high87.4Confident16 Ų1660.9 Ų60.97%0.0735%0.351CS..EExtended strand (participates in β ladder)trans-124.4151.4178.8-61.5-82.6000111.3L322 I349 V350 A371 I375 V410 L411 L412 W413L322-F324 HydrophobicContact CB-CD2 4.43Å; L322-F324 HydrophobicContact CB-CE2 3.59Å; L322-F324 HydrophobicContact CB-CZ 4.06Å; L322-F324 HydrophobicContact CD1-CE2 4.5Å; F324-I349 HydrophobicContact CB-CG2 3.73Å; F324-I349 HydrophobicContact CD1-CG2 3.49Å; F324-I349 VanDerWaalsContact CD1-CG2 3.49Å; F324-I349 HydrophobicContact CE1-CG2 4.3Å; F324-I349 HydrophobicContact CG-CG2 3.78Å; F324-V350 CarbonylContact C-O 3.58Å; F324-V350 VanDerWaalsContact CA-O 3.24Å; F324-V350 WeakPolarHBondContact CA-O 3.39Å; F324-A371 HydrophobicContact CE2-CB 4.42Å; F324-A371 HydrophobicContact CZ-CB 3.68Å; F324-I375 HydrophobicContact CD2-CD1 3.92Å; F324-I375 HydrophobicContact CE2-CD1 3.96Å; F324-I375 HydrophobicContact CG-CD1 4.3Å; F324-I375 HydrophobicContact CZ-CD1 4.37Å; F324-V410 HydrophobicContact CD2-CG1 3.88Å; F324-V410 HydrophobicContact CE2-CG1 3.9Å; F324-L411 PolarHBondContact N-O 3.23Å; F324-L412 HydrophobicContact CB-CD2 4.06Å; F324-L412 CarbonylContact O-C 3.58Å; F324-L412 WeakPolarHBondContact O-CA 3.25Å; F324-W413 PolarHBondContact O-N 2.99Å
325K92.6Very high86.3Confident61 Ų6163.9 Ų63.927%0.26537%0.374SS..EExtended strand (participates in β ladder)trans-116.8140.2168-176.2169.7-175.3160.10109V350 V352 W413 D415K325-V350 PolarHBondContact N-O 3.14Å; K325-V350 PolarHBondContact O-N 2.81Å; K325-V352 HydrophobicContact CB-CG2 3.75Å; K325-W413 HydrophobicContact CB-CE3 4.42Å; K325-W413 HydrophobicContact CD-CE3 4.12Å; K325-W413 HydrophobicContact CD-CZ3 4.46Å; K325-D415 IonicContact NZ-OD1 3.2Å; K325-D415 PolarHBondContact NZ-OD1 3.43Å
326I92Very high85.1Confident19 Ų1962 Ų6210%0.09736%0.364CS..EExtended strand (participates in β ladder)trans-93.1129.1174.3-56.2167.6000108.4L195 L376 L412L195-I326 HydrophobicContact CD1-CD1 4.44Å; L195-I326 HydrophobicContact CD1-CG2 3.95Å; L195-I326 HydrophobicContact CD2-CB 4.11Å; L195-I326 HydrophobicContact CD2-CD1 4.27Å; L195-I326 HydrophobicContact CD2-CG2 3.65Å; L195-I326 HydrophobicContact CG-CG2 4.31Å; I326-L376 HydrophobicContact CB-CD2 4.42Å; I326-L376 HydrophobicContact CD1-CD2 3.8Å; I326-L376 HydrophobicContact CG1-CD2 3.91Å; I326-L376 HydrophobicContact CG2-CD2 3.62Å; I326-L412 HydrophobicContact CD1-CD1 4.1Å; I326-L412 HydrophobicContact CD1-CD2 4.2Å; I326-L412 HydrophobicContact CG1-CD2 4.11Å
327G88Confident84.2Confident14 Ų1466 Ų6614%0.14439%0.39CS..  trans92.4126.9-175.300000112T345 S346 K348G327-T345 WeakPolarHBondContact CA-O 3.5Å; G327-S346 WeakPolarHBondContact CA-O 3.5Å; G327-S346 PolarHBondContact N-O 2.63Å; G327-K348 PolarHBondContact N-O 2.95Å
328A77.9Confident83.1Confident26 Ų2673.3 Ų73.322%0.21543%0.425CS..  trans-104.8148.3167.200000110.4I330 T345 V350A328-I330 PolarHBondContact O-N 3.38Å; A328-T345 HydrophobicContact CB-CG2 4.47Å; A328-T345 PolarHBondContact N-O 2.89Å; A328-T345 PolarHBondContact O-OG1 3.47Å; A328-V350 HydrophobicContact CB-CG2 3.75Å
329P70.6Confident82Confident120 Ų12076.4 Ų76.478%0.77946%0.463SS*.PPolyproline II helixtrans-53.3136169.1-2030.5000110.2L331P329-L331 PolarHBondContact O-N 3.2Å
330I67.8Low81.1Confident125 Ų12577.7 Ų77.764%0.64146%0.459SS*.PPolyproline II helixtrans-62.5124.6174.9-59.2171.2000107.4A328 A342A328-I330 PolarHBondContact O-N 3.38Å; I330-A342 HydrophobicContact CG2-CB 4.06Å
331L68.6Low80Confident120 Ų12081.9 Ų81.963%0.62848%0.476SS*.PPolyproline II helixtrans-64.3126.5171.5-77163.4000108.1P329P329-L331 PolarHBondContact O-N 3.2Å
332P70.6Confident78.8Confident73 Ų7383.3 Ų83.347%0.47449%0.489SS..PPolyproline II helixtrans-62148.4179.423.8-31.3000110.7S334 C335P332-S334 PolarHBondContact O-N 2.85Å; P332-C335 PolarHBondContact O-N 3.4Å
333D73.4Confident77.8Confident126 Ų12687.3 Ų87.367%0.67451%0.505SS*.G310 helixtrans-52.5-30.5-179.4-67.4-15.8000113C335 M336D333-C335 PolarHBondContact O-N 2.92Å; D333-M336 HydrophobicContact CB-CE 4.18Å; D333-M336 PolarHBondContact O-N 3.08Å; D333-M336 WeakPolarHBondContact OD1-CE 3.29Å
334S78.5Confident76.9Confident109 Ų10992.6 Ų92.676%0.76253%0.533SS*.G310 helixtrans-60.5-23.3176.758.10000114.3P332P332-S334 PolarHBondContact O-N 2.85Å
335C74.2Confident76.5Confident90 Ų9092.9 Ų92.961%0.60854%0.536SS*.G310 helixtrans-950.3178.8-64.20000112.8P332 D333P332-C335 PolarHBondContact O-N 3.4Å; D333-C335 PolarHBondContact O-N 2.92Å
336M73.1Confident76.2Confident42 Ų4290.9 Ų90.921%0.20753%0.53CS..SBendtrans-96.7144.3-177.5-66-159.1-7400112.7D333 K341 A342D333-M336 HydrophobicContact CB-CE 4.18Å; D333-M336 PolarHBondContact O-N 3.08Å; D333-M336 WeakPolarHBondContact OD1-CE 3.29Å; M336-K341 VanDerWaalsContact SD-C 3.54Å; M336-A342 HydrophobicContact CE-CB 3.8Å; M336-A342 VanDerWaalsContact CE-N 3.29Å; M336-A342 WeakPolarHBondContact SD-CA 3.27Å; M336-A342 HydrophobicContact SD-CB 3.81Å; M336-A342 PolarHBondContact SD-N 3.33Å
337P76.4Confident76Confident88 Ų8892.3 Ų92.357%0.57154%0.54SS*.PPolyproline II helixtrans-58.4148.7169-21.632.8000112.1G339 M340P337-G339 PolarHBondContact O-N 3.45Å; P337-G339 VanDerWaalsContact O-N 3.17Å; P337-M340 HydrophobicContact CG-SD 4.22Å; P337-M340 PolarHBondContact O-N 3.33Å
338L73.8Confident76.1Confident186 Ų18697.4 Ų97.497%0.97456%0.558SS**THydrogen-bonded Turntrans-54.3123.4175.8-87.196000110.9
339G75.5Confident76.6Confident86 Ų8698.9 Ų98.989%0.88756%0.562SS**THydrogen-bonded Turntrans94-4.1175.800000115.7P337P337-G339 PolarHBondContact O-N 3.45Å; P337-G339 VanDerWaalsContact O-N 3.17Å
340M75.8Confident77.6Confident134 Ų13495.7 Ų95.766%0.6654%0.54SS*.PPolyproline II helixtrans-91.5137.1170.8-76.4-170.8155.400111.5P337P337-M340 HydrophobicContact CG-SD 4.22Å; P337-M340 PolarHBondContact O-N 3.33Å
341K71.6Confident78.8Confident192 Ų19293.8 Ų93.884%0.83554%0.538SS*.PPolyproline II helixtrans-91149.1169-70.6-175.5177.2-178.70109.1M336 E343M336-K341 VanDerWaalsContact SD-C 3.54Å; K341-E343 PolarHBondContact O-N 3.33Å
342A69.3Low80Confident41 Ų4188.9 Ų88.934%0.33951%0.513SS..PPolyproline II helixtrans-60.4123.9174.700000108.7I330 M336I330-A342 HydrophobicContact CG2-CB 4.06Å; M336-A342 HydrophobicContact CE-CB 3.8Å; M336-A342 VanDerWaalsContact CE-N 3.29Å; M336-A342 WeakPolarHBondContact SD-CA 3.27Å; M336-A342 HydrophobicContact SD-CB 3.81Å; M336-A342 PolarHBondContact SD-N 3.33Å
343E73.7Confident81.1Confident162 Ų16291 Ų9176%0.75752%0.524SS*.PPolyproline II helixtrans-64143.1170.4-69.9-176.5167.100109.2K341 T345K341-E343 PolarHBondContact O-N 3.33Å; E343-T345 PolarHBondContact O-N 3.41Å
344D78Confident82.2Confident114 Ų11485.9 Ų85.961%0.6150%0.498SS*.  trans-68.6105.4173.8-176.32.2000109.6S346D344-S346 WeakPolarHBondContact OD1-CB 3.44Å; D344-S346 PolarHBondContact OD1-N 2.87Å; D344-S346 PolarHBondContact OD1-OG 3.45Å; D344-S346 PolarHBondContact OD2-OG 2.95Å
345T84.8Confident83.1Confident22 Ų2280.9 Ų80.914%0.13546%0.464CS..  trans-947.2179.155.50000113.3G327 A328 E343 T347 K348G327-T345 WeakPolarHBondContact CA-O 3.5Å; A328-T345 HydrophobicContact CB-CG2 4.47Å; A328-T345 PolarHBondContact N-O 2.89Å; A328-T345 PolarHBondContact O-OG1 3.47Å; E343-T345 PolarHBondContact O-N 3.41Å; T345-T347 VanDerWaalsContact C-N 3.29Å; T345-T347 PolarHBondContact O-N 2.79Å; T345-K348 HydrophobicContact CG2-CD 4.34Å; T345-K348 WeakPolarHBondContact O-CB 3.07Å; T345-K348 PolarHBondContact O-N 2.84Å; T345-K348 VanDerWaalsContact O-N 3.15Å
346S85.8Confident84.1Confident19 Ų1980.5 Ų80.513%0.13346%0.46CS..THydrogen-bonded Turntrans-59.9-34.8-174.560.20000113.5N192 P194 G327 D344N192-S346 PolarHBondContact ND2-O 2.96Å; N192-S346 WeakPolarHBondContact OD1-CB 3.49Å; P194-S346 WeakPolarHBondContact CB-OG 3.41Å; P194-S346 WeakPolarHBondContact CG-OG 3.3Å; G327-S346 WeakPolarHBondContact CA-O 3.5Å; G327-S346 PolarHBondContact N-O 2.63Å; D344-S346 WeakPolarHBondContact OD1-CB 3.44Å; D344-S346 PolarHBondContact OD1-N 2.87Å; D344-S346 PolarHBondContact OD1-OG 3.45Å; D344-S346 PolarHBondContact OD2-OG 2.95Å
347T88.7Confident85.2Confident50 Ų5082.5 Ų82.531%0.30747%0.469SS..THydrogen-bonded Turntrans-103.62178.657.70000113P194 L195 T345 I349 L376P194-T347 HydrophobicContact CB-CG2 4.36Å; L195-T347 HydrophobicContact CB-CG2 4.42Å; T345-T347 VanDerWaalsContact C-N 3.29Å; T345-T347 PolarHBondContact O-N 2.79Å; T347-I349 PolarHBondContact O-N 3.01Å; T347-L376 WeakPolarHBondContact O-CD1 3.37Å
348K88.9Confident86.2Confident120 Ų12078.4 Ų78.452%0.52244%0.442SS..  trans-65.1133.7179.7-172.5173.1-177.6172.20110.5G327 T345G327-K348 PolarHBondContact N-O 2.95Å; T345-K348 HydrophobicContact CG2-CD 4.34Å; T345-K348 WeakPolarHBondContact O-CB 3.07Å; T345-K348 PolarHBondContact O-N 2.84Å; T345-K348 VanDerWaalsContact O-N 3.15Å
349I89.5Confident87.3Confident57 Ų5772.5 Ų72.529%0.29241%0.411SS..EExtended strand (participates in β ladder)trans-84.3127.8174.3-55.9166.7000108.5F324 T347 I375 L376F324-I349 HydrophobicContact CB-CG2 3.73Å; F324-I349 HydrophobicContact CD1-CG2 3.49Å; F324-I349 VanDerWaalsContact CD1-CG2 3.49Å; F324-I349 HydrophobicContact CE1-CG2 4.3Å; F324-I349 HydrophobicContact CG-CG2 3.78Å; T347-I349 PolarHBondContact O-N 3.01Å; I349-I375 HydrophobicContact CD1-CB 3.76Å; I349-I375 HydrophobicContact CD1-CD1 4.14Å; I349-I375 HydrophobicContact CD1-CG1 4.4Å; I349-I375 HydrophobicContact CD1-CG2 4.37Å; I349-I375 HydrophobicContact CG2-CD1 4.24Å; I349-L376 HydrophobicContact CD1-CG 4.16Å; I349-L376 HydrophobicContact CG1-CD2 4.23Å; I349-L376 HydrophobicContact CG1-CG 4.16Å
350V91.1Very high88.3Confident53 Ų5370.9 Ų70.932%0.32138%0.381SS..EExtended strand (participates in β ladder)trans-118.9125.8179.6-177.80000109.2F324 K325 A328F324-V350 CarbonylContact C-O 3.58Å; F324-V350 VanDerWaalsContact CA-O 3.24Å; F324-V350 WeakPolarHBondContact CA-O 3.39Å; K325-V350 PolarHBondContact N-O 3.14Å; K325-V350 PolarHBondContact O-N 2.81Å; A328-V350 HydrophobicContact CB-CG2 3.75Å
351S92.4Very high89.4Confident86 Ų8666.2 Ų66.260%0.60136%0.357SS*.EExtended strand (participates in β ladder)trans-69136.9172.3-176.10000110.5
352V94.3Very high90.6Very high17 Ų1757.1 Ų57.110%0.10332%0.317CS..EExtended strand (participates in β ladder)trans-119.2117.7-176.21790000108.3I323 K325 P354 W413I323-V352 HydrophobicContact CB-CB 4.39Å; I323-V352 HydrophobicContact CG2-CB 4.15Å; I323-V352 PolarHBondContact O-N 3.04Å; K325-V352 HydrophobicContact CB-CG2 3.75Å; V352-P354 WeakPolarHBondContact O-CD 3.34Å; V352-W413 HydrophobicContact CB-CE3 4.39Å; V352-W413 HydrophobicContact CG1-CE3 3.71Å; V352-W413 HydrophobicContact CG1-CZ3 3.8Å; V352-W413 HydrophobicContact CG2-CE3 3.9Å; V352-W413 HydrophobicContact CG2-CZ3 4.39Å
353T95.3Very high92Very high116 Ų11655.1 Ų55.171%0.71230%0.301SS*.  trans-65.9126170.6-52.90000109.5G355 Q357T353-G355 PolarHBondContact O-N 3.49Å; T353-Q357 PolarHBondContact O-NE2 3.49Å
354P96.4Very high93.1Very high20 Ų2047.4 Ų47.413%0.1327%0.265CS..  trans-56.4137176.5-25.234.1000112.3F318 I323 V352 L358F318-P354 HydrophobicContact CB-CB 4.13Å; F318-P354 HydrophobicContact CB-CG 3.99Å; F318-P354 HydrophobicContact CD1-CB 3.49Å; F318-P354 VanDerWaalsContact CD1-CB 3.49Å; F318-P354 HydrophobicContact CD1-CG 4.19Å; F318-P354 HydrophobicContact CD2-CB 3.95Å; F318-P354 HydrophobicContact CE1-CB 3.78Å; F318-P354 HydrophobicContact CE2-CB 4.22Å; F318-P354 HydrophobicContact CG-CB 3.59Å; F318-P354 HydrophobicContact CG-CG 4.03Å; F318-P354 HydrophobicContact CZ-CB 4.16Å; I323-P354 HydrophobicContact CD1-CB 4.35Å; I323-P354 HydrophobicContact CD1-CG 3.99Å; V352-P354 WeakPolarHBondContact O-CD 3.34Å; P354-L358 HydrophobicContact CB-CD1 4.16Å
355G95.5Very high93.9Very high3 Ų342.2 Ų42.23%0.03124%0.237CC..SBendtrans-174.5-179.2-17800000113.1T353 Q357 L358T353-G355 PolarHBondContact O-N 3.49Å; G355-Q357 PolarHBondContact O-N 3.43Å; G355-Q357 PolarHBondContact O-OE1 3.22Å; G355-L358 WeakPolarHBondContact O-CB 3.5Å; G355-L358 PolarHBondContact O-N 3Å
356P97Very high94.4Very high83 Ų8341.2 Ų41.254%0.53923%0.231SC..G310 helixtrans-57.9-23.5-173.1-25.235.8000114.3L358 L359 M391P356-L358 PolarHBondContact O-N 3.34Å; P356-L359 WeakPolarHBondContact O-CB 3.42Å; P356-L359 PolarHBondContact O-N 3.33Å; P356-L359 VanDerWaalsContact O-N 3.07Å; P356-M391 HydrophobicContact CG-CG 4.19Å; P356-M391 HydrophobicContact CG-SD 4.34Å
357Q95.7Very high94.6Very high84 Ų8444.6 Ų44.639%0.39325%0.245SC..G310 helixtrans-61.3-21.517672.1-78.15.800113.9T353 G355 L359 H361 W413T353-Q357 PolarHBondContact O-NE2 3.49Å; G355-Q357 PolarHBondContact O-N 3.43Å; G355-Q357 PolarHBondContact O-OE1 3.22Å; Q357-L359 VanDerWaalsContact C-N 3.28Å; Q357-H361 PolarHBondContact O-CE1 2.79Å; Q357-H361 VanDerWaalsContact O-CE1 3.24Å; Q357-H361 PolarHBondContact O-ND1 2.84Å; Q357-H361 VanDerWaalsContact O-ND1 3.13Å; Q357-W413 HydrophobicContact CB-CH2 4.16Å; Q357-W413 HydrophobicContact CG-CH2 3.63Å; Q357-W413 HydrophobicContact CG-CZ2 4.32Å; Q357-W413 HydrophobicContact CG-CZ3 4.1Å
358L97Very high94.7Very high1 Ų142.4 Ų42.41%0.00523%0.231CC..G310 helixtrans-78.6-14.1177.5-63.7174000112.6I323 P354 G355 P356 H360 H361 L363 V386 W413I323-L358 HydrophobicContact CD1-CD1 3.46Å; I323-L358 VanDerWaalsContact CD1-CD1 3.46Å; I323-L358 HydrophobicContact CG2-CD2 4.41Å; P354-L358 HydrophobicContact CB-CD1 4.16Å; G355-L358 WeakPolarHBondContact O-CB 3.5Å; G355-L358 PolarHBondContact O-N 3Å; P356-L358 PolarHBondContact O-N 3.34Å; L358-H360 PolarHBondContact O-N 3.49Å; L358-H361 WeakPolarHBondContact O-CB 3.37Å; L358-H361 PolarHBondContact O-N 3.31Å; L358-L363 HydrophobicContact CD2-CD2 4.28Å; L358-V386 HydrophobicContact CB-CG1 4.32Å; L358-V386 HydrophobicContact CB-CG2 4.31Å; L358-V386 WeakPolarHBondContact O-CB 3.49Å; L358-W413 HydrophobicContact CD2-CD2 3.83Å; L358-W413 HydrophobicContact CD2-CE3 4.07Å; L358-W413 HydrophobicContact CD2-CG 4.03Å
359L97.2Very high94.5Very high63 Ų6343.3 Ų43.333%0.3324%0.238SC..THydrogen-bonded Turntrans-54133-176.6-173.467000111.1P356 Q357 H361 C387P356-L359 WeakPolarHBondContact O-CB 3.42Å; P356-L359 PolarHBondContact O-N 3.33Å; P356-L359 VanDerWaalsContact O-N 3.07Å; Q357-L359 VanDerWaalsContact C-N 3.28Å; L359-H361 PolarHBondContact O-N 3.24Å; L359-H361 VanDerWaalsContact O-N 3.13Å; L359-H361 PolarHBondContact O-ND1 2.93Å; L359-C387 WeakPolarHBondContact CD1-O 3.3Å
360H96.9Very high94.2Very high52 Ų5242.3 Ų42.324%0.24124%0.236CC..THydrogen-bonded Turntrans633.3-176.7-52.4-46.6000115.8L358 V386 T417 F418 M419L358-H360 PolarHBondContact O-N 3.49Å; H360-V386 VanDerWaalsContact CA-O 3.27Å; H360-V386 WeakPolarHBondContact CA-O 3.31Å; H360-V386 PolarHBondContact N-O 3.5Å; H360-T417 CarbonylContact O-C 3.56Å; H360-T417 WeakPolarHBondContact O-CA 3.05Å; H360-F418 WeakPolarHBondContact CB-O 3.41Å; H360-F418 PolarHBondContact O-N 3.18Å; H360-M419 WeakPolarHBondContact NE2-CE 3.38Å
361H97.9Very high93.4Very high36 Ų3642 Ų4217%0.16724%0.239CC..EExtended strand (participates in β ladder)trans-83.4147.9176.9-68.281000111.4Q357 L358 L359 V386 W413 T414Q357-H361 PolarHBondContact O-CE1 2.79Å; Q357-H361 VanDerWaalsContact O-CE1 3.24Å; Q357-H361 PolarHBondContact O-ND1 2.84Å; Q357-H361 VanDerWaalsContact O-ND1 3.13Å; L358-H361 WeakPolarHBondContact O-CB 3.37Å; L358-H361 PolarHBondContact O-N 3.31Å; L359-H361 PolarHBondContact O-N 3.24Å; L359-H361 VanDerWaalsContact O-N 3.13Å; L359-H361 PolarHBondContact O-ND1 2.93Å; H361-V386 PolarHBondContact O-N 3.45Å; H361-V386 VanDerWaalsContact O-N 3.08Å; H361-W413 AromaticContact CD2-NE1 3.26Å; H361-W413 PolarHBondContact CD2-NE1 2.83Å; H361-W413 VanDerWaalsContact CD2-NE1 3.26Å; H361-W413 AromaticContact CG-NE1 3.4Å; H361-W413 AromaticContact NE2-NE1 3.87Å; H361-T414 PolarHBondContact CD2-O 3.19Å; H361-T414 VanDerWaalsContact CD2-O 3.23Å
362M97.8Very high92.6Very high0 Ų045.3 Ų45.30%025%0.25CC..EExtended strand (participates in β ladder)trans-79.6132.1168.7-59.2-60.5-58.100109.1I155 V297 F301 F383 I384 C385 T414 I416 F418I155-M362 HydrophobicContact CD1-CB 4.28Å; I155-M362 HydrophobicContact CD1-CE 3.95Å; I155-M362 HydrophobicContact CD1-CG 4.26Å; V297-M362 HydrophobicContact CG1-CE 4.05Å; V297-M362 HydrophobicContact CG1-SD 3.69Å; F301-M362 HydrophobicContact CE2-CE 3.6Å; F301-M362 HydrophobicContact CE2-SD 4.01Å; F301-M362 HydrophobicContact CZ-CE 3.63Å; F301-M362 HydrophobicContact CZ-SD 4.36Å; M362-F383 HydrophobicContact CE-CB 3.66Å; M362-I384 CarbonylContact C-O 3.57Å; M362-I384 WeakPolarHBondContact CA-O 3.26Å; M362-C385 HydrophobicContact CE-CB 4.42Å; M362-C385 HydrophobicContact SD-CB 3.65Å; M362-T414 WeakPolarHBondContact CB-OG1 3.42Å; M362-T414 PolarHBondContact O-N 3.05Å; M362-T414 PolarHBondContact O-OG1 2.74Å; M362-I416 HydrophobicContact CB-CB 4.34Å; M362-I416 HydrophobicContact CG-CB 4.21Å; M362-I416 HydrophobicContact CG-CG2 3.98Å; M362-I416 WeakPolarHBondContact CG-O 3.2Å; M362-I416 PolarHBondContact N-O 3.06Å; M362-F418 HydrophobicContact SD-CB 3.84Å
363L97.6Very high91.9Very high0 Ų047.3 Ų47.30%026%0.26CS..EExtended strand (participates in β ladder)trans-110.1127.6169.8-52.4-179.7000109I323 L358 F383 I384 V386 M396 L411 L412 W413I323-L363 HydrophobicContact CD1-CD1 4.18Å; I323-L363 HydrophobicContact CG2-CD2 4.48Å; L358-L363 HydrophobicContact CD2-CD2 4.28Å; L363-F383 VanDerWaalsContact O-CA 3.3Å; L363-F383 WeakPolarHBondContact O-CA 3.47Å; L363-I384 HydrophobicContact CB-CD1 4.38Å; L363-I384 HydrophobicContact CB-CG1 3.89Å; L363-I384 HydrophobicContact CD1-CD1 4.39Å; L363-I384 PolarHBondContact N-O 2.96Å; L363-I384 PolarHBondContact O-N 3.2Å; L363-V386 HydrophobicContact CD1-CG2 3.65Å; L363-V386 HydrophobicContact CG-CG2 3.98Å; L363-M396 HydrophobicContact CD1-CE 4.33Å; L363-L411 HydrophobicContact CB-CB 4.38Å; L363-L411 HydrophobicContact CD1-CD1 3.81Å; L363-L412 CarbonylContact C-O 3.51Å; L363-L412 VanDerWaalsContact CA-O 3.26Å; L363-L412 WeakPolarHBondContact CA-O 3.44Å; L363-W413 HydrophobicContact CD2-CB 4.06Å; L363-W413 HydrophobicContact CD2-CG 4.38Å
364A96.9Very high91.2Very high0 Ų047.1 Ų47.10%025%0.251CS..EExtended strand (participates in β ladder)trans-80.1127.3172.200000109.5V380 F383 L411 L412A364-V380 HydrophobicContact CB-CB 4.47Å; A364-V380 HydrophobicContact CB-CG1 3.85Å; A364-F383 HydrophobicContact CB-CD1 3.66Å; A364-F383 HydrophobicContact CB-CE1 3.36Å; A364-F383 HydrophobicContact CB-CZ 4.17Å; A364-L411 CarbonylContact O-C 3.58Å; A364-L411 WeakPolarHBondContact O-CA 3.46Å; A364-L412 HydrophobicContact CB-CB 4.05Å; A364-L412 PolarHBondContact N-O 3.43Å; A364-L412 PolarHBondContact O-N 3.03Å
365V96.1Very high90.4Very high4 Ų446.2 Ų46.22%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-85.6114.8174.2-173.70000107.6V380 A381 G382 I384 P407 L411V365-V380 CarbonylContact O-C 3.5Å; V365-V380 WeakPolarHBondContact O-CA 3.42Å; V365-A381 HydrophobicContact CB-CB 4.45Å; V365-A381 HydrophobicContact CG1-CB 4.31Å; V365-A381 PolarHBondContact O-N 3.13Å; V365-G382 PolarHBondContact N-O 3.01Å; V365-I384 HydrophobicContact CG2-CG1 4.23Å; V365-I384 HydrophobicContact CG2-CG2 4.07Å; V365-P407 HydrophobicContact CG1-CG 3.89Å; V365-L411 HydrophobicContact CB-CD2 4.18Å; V365-L411 HydrophobicContact CG1-CD2 4.19Å; V365-L411 HydrophobicContact CG2-CD2 3.86Å
366T94.3Very high89.6Confident1 Ų148.4 Ų48.41%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-85.4170.8-178.577.10000111.2C368 R408 V410 L412T366-C368 VanDerWaalsContact C-N 3.32Å; T366-C368 WeakPolarHBondContact OG1-CB 3.42Å; T366-C368 PolarHBondContact OG1-N 3.13Å; T366-C368 PolarHBondContact OG1-SG 3.33Å; T366-R408 WeakPolarHBondContact O-CB 3.33Å; T366-R408 VanDerWaalsContact O-CG 3.26Å; T366-R408 WeakPolarHBondContact O-CG 3.28Å; T366-V410 HydrophobicContact CG2-CG1 4.4Å; T366-V410 PolarHBondContact N-O 2.8Å; T366-V410 WeakPolarHBondContact OG1-CB 3.25Å; T366-V410 PolarHBondContact OG1-O 3.01Å; T366-L412 HydrophobicContact CG2-CD1 3.87Å; T366-L412 HydrophobicContact CG2-CG 3.78Å
367H91Very high88.6Confident90 Ų9045 Ų4542%0.41724%0.235SC..SBendtrans-86.2-1.3168.5-75.7-62.5000113.9T378 N379 R408H367-T378 HydrophobicContact CB-CG2 3.99Å; H367-N379 PolarHBondContact CD2-O 2.65Å; H367-R408 PolarHBondContact O-NE 3.06Å
368C89.7Confident88Confident4 Ų442.4 Ų42.43%0.02723%0.225CC..  trans-65.4140.5-177.6-55.10000111.7T366 D373 R408 V410T366-C368 VanDerWaalsContact C-N 3.32Å; T366-C368 WeakPolarHBondContact OG1-CB 3.42Å; T366-C368 PolarHBondContact OG1-N 3.13Å; T366-C368 PolarHBondContact OG1-SG 3.33Å; C368-D373 VanDerWaalsContact CA-OD2 3.28Å; C368-D373 WeakPolarHBondContact CA-OD2 2.97Å; C368-D373 HydrophobicContact CB-CB 3.83Å; C368-D373 WeakPolarHBondContact CB-OD2 3.49Å; C368-R408 WeakPolarHBondContact O-CD 3.48Å; C368-V410 HydrophobicContact CB-CB 4Å; C368-V410 HydrophobicContact CB-CG1 4.11Å; C368-V410 HydrophobicContact CB-CG2 4.1Å
369E84.6Confident87.7Confident140 Ų14044.7 Ų44.765%0.65424%0.237SC*.SBendtrans-87.2-32.5172.4-42.7-152136.900111.3D373 R408E369-D373 PolarHBondContact N-OD2 3.25Å; E369-R408 IonicContact OE1-CZ 3.93Å; E369-R408 IonicContact OE1-NH1 2.77Å; E369-R408 PolarHBondContact OE1-NH1 2.99Å; E369-R408 IonicContact OE1-NH2 2.91Å; E369-R408 PolarHBondContact OE1-NH2 2.97Å
370S83.2Confident87.5Confident36 Ų3642.2 Ų42.225%0.25223%0.225SC..SBendtrans-138.4169.2-172.282.80000113.2D372 D373S370-D372 PolarHBondContact O-N 2.89Å; S370-D372 PolarHBondContact OG-N 2.87Å; S370-D372 VanDerWaalsContact OG-N 3.16Å; S370-D373 PolarHBondContact N-OD2 2.86Å; S370-D373 PolarHBondContact OG-N 3.26Å; S370-D373 PolarHBondContact OG-OD1 3.4Å; S370-D373 VanDerWaalsContact OG-OD1 3.07Å
371A75.9Confident87.4Confident46 Ų4642 Ų4238%0.3823%0.232SC..THydrogen-bonded Turntrans-69.9-17.7172.700000113.2L322 F324L322-A371 HydrophobicContact CD1-CB 4.38Å; F324-A371 HydrophobicContact CE2-CB 4.42Å; F324-A371 HydrophobicContact CZ-CB 3.68Å
372D75Confident87.3Confident156 Ų15640.9 Ų40.983%0.83423%0.23SC*.THydrogen-bonded Turntrans-87-10.7-177.7-59-36.4000112.3S370S370-D372 PolarHBondContact O-N 2.89Å; S370-D372 PolarHBondContact OG-N 2.87Å; S370-D372 VanDerWaalsContact OG-N 3.16Å
373D79.1Confident87.3Confident58 Ų5841 Ų4131%0.3123%0.23SC..SBendtrans-69.5159.6176.9-61.7-15000111.3C368 E369 S370 I375C368-D373 VanDerWaalsContact CA-OD2 3.28Å; C368-D373 WeakPolarHBondContact CA-OD2 2.97Å; C368-D373 HydrophobicContact CB-CB 3.83Å; C368-D373 WeakPolarHBondContact CB-OD2 3.49Å; E369-D373 PolarHBondContact N-OD2 3.25Å; S370-D373 PolarHBondContact N-OD2 2.86Å; S370-D373 PolarHBondContact OG-N 3.26Å; S370-D373 PolarHBondContact OG-OD1 3.4Å; S370-D373 VanDerWaalsContact OG-OD1 3.07Å; D373-I375 PolarHBondContact O-N 3.48Å
374E81.3Confident87.3Confident112 Ų11241 Ų4152%0.52323%0.231SC..  trans-68.179.6173.8-164.9-170.5-174.100110.5R202 L376 T378R202-E374 IonicContact CZ-OE1 3.05Å; R202-E374 IonicContact CZ-OE2 2.84Å; R202-E374 VanDerWaalsContact CZ-OE2 3.3Å; R202-E374 IonicContact NH1-OE1 3.84Å; R202-E374 PolarHBondContact NH1-OE1 2.94Å; R202-E374 IonicContact NH1-OE2 3.44Å; R202-E374 PolarHBondContact NH1-OE2 3.46Å; R202-E374 IonicContact NH2-OE1 3.65Å; R202-E374 IonicContact NH2-OE2 2.77Å; R202-E374 PolarHBondContact NH2-OE2 2.61Å; E374-L376 VanDerWaalsContact C-N 3.26Å; E374-L376 PolarHBondContact O-N 3.2Å; E374-T378 PolarHBondContact O-OG1 3.4Å
375I79.3Confident87.3Confident2 Ų241.1 Ų41.11%0.0123%0.231CC..  trans-63.2-37.6-179.7-66.1166.7000110.4F324 I349 D373 G377 T378 V410 L412F324-I375 HydrophobicContact CD2-CD1 3.92Å; F324-I375 HydrophobicContact CE2-CD1 3.96Å; F324-I375 HydrophobicContact CG-CD1 4.3Å; F324-I375 HydrophobicContact CZ-CD1 4.37Å; I349-I375 HydrophobicContact CD1-CB 3.76Å; I349-I375 HydrophobicContact CD1-CD1 4.14Å; I349-I375 HydrophobicContact CD1-CG1 4.4Å; I349-I375 HydrophobicContact CD1-CG2 4.37Å; I349-I375 HydrophobicContact CG2-CD1 4.24Å; D373-I375 PolarHBondContact O-N 3.48Å; I375-G377 PolarHBondContact O-N 3.05Å; I375-T378 PolarHBondContact O-N 3.29Å; I375-V410 HydrophobicContact CD1-CG1 4.05Å; I375-V410 HydrophobicContact CG1-CG1 4.14Å; I375-L412 HydrophobicContact CG2-CD1 4.1Å; I375-L412 HydrophobicContact CG2-CD2 3.43Å; I375-L412 VanDerWaalsContact CG2-CD2 3.43Å; I375-L412 HydrophobicContact CG2-CG 4.04Å
376L78.8Confident87.4Confident49 Ų4940.9 Ų40.926%0.25723%0.23SC..THydrogen-bonded Turntrans-64.4120.3175.9-64.9175.4000110.2L195 I326 T347 I349 E374 T378L195-L376 HydrophobicContact CD1-CD2 4.19Å; I326-L376 HydrophobicContact CB-CD2 4.42Å; I326-L376 HydrophobicContact CD1-CD2 3.8Å; I326-L376 HydrophobicContact CG1-CD2 3.91Å; I326-L376 HydrophobicContact CG2-CD2 3.62Å; T347-L376 WeakPolarHBondContact O-CD1 3.37Å; I349-L376 HydrophobicContact CD1-CG 4.16Å; I349-L376 HydrophobicContact CG1-CD2 4.23Å; I349-L376 HydrophobicContact CG1-CG 4.16Å; E374-L376 VanDerWaalsContact C-N 3.26Å; E374-L376 PolarHBondContact O-N 3.2Å; L376-T378 VanDerWaalsContact C-N 3.28Å; L376-T378 PolarHBondContact O-N 3.01Å
377G75.2Confident87.5Confident10 Ų1042.4 Ų42.410%0.10324%0.24CC..THydrogen-bonded Turntrans70.622.8175.400000114.3Y182 R202 I375Y182-G377 WeakPolarHBondContact CE1-O 3.39Å; R202-G377 PolarHBondContact NE-O 3.15Å; I375-G377 PolarHBondContact O-N 3.05Å
378T84.4Confident87.7Confident30 Ų3044.8 Ų44.818%0.18425%0.249CC..PPolyproline II helixtrans-78.8135.2162.6-78.50000109.8Y182 H367 E374 I375 L376 V380Y182-T378 WeakPolarHBondContact CD1-O 3.33Å; H367-T378 HydrophobicContact CB-CG2 3.99Å; E374-T378 PolarHBondContact O-OG1 3.4Å; I375-T378 PolarHBondContact O-N 3.29Å; L376-T378 VanDerWaalsContact C-N 3.28Å; L376-T378 PolarHBondContact O-N 3.01Å; T378-V380 PolarHBondContact O-N 2.83Å
379N89.4Confident88.1Confident49 Ų4946.3 Ų46.326%0.26226%0.258SS..PPolyproline II helixtrans-56.8137.6172.7-175.149.2000109.1V181 Y182 H367V181-N379 PolarHBondContact N-OD1 2.89Å; V181-N379 WeakPolarHBondContact O-CA 3.48Å; V181-N379 PolarHBondContact O-OD1 2.81Å; Y182-N379 HydrophobicContact CE1-CB 4.38Å; H367-N379 PolarHBondContact CD2-O 2.65Å
380V93.8Very high88.7Confident11 Ų1141.2 Ų41.27%0.06724%0.238CC..EExtended strand (participates in β ladder)trans-85.9139.7178.7-57.60000110.2V181 A364 V365 T378 G382 F383V181-V380 HydrophobicContact CB-CG2 3.73Å; V181-V380 HydrophobicContact CG1-CG2 3.63Å; V181-V380 PolarHBondContact O-N 3.45Å; A364-V380 HydrophobicContact CB-CB 4.47Å; A364-V380 HydrophobicContact CB-CG1 3.85Å; V365-V380 CarbonylContact O-C 3.5Å; V365-V380 WeakPolarHBondContact O-CA 3.42Å; T378-V380 PolarHBondContact O-N 2.83Å; V380-G382 VanDerWaalsContact C-N 3.26Å; V380-F383 HydrophobicContact CG2-CE2 3.67Å; V380-F383 HydrophobicContact CG2-CZ 3.77Å
381A93.9Very high89.4Confident48 Ų4843.9 Ų43.940%0.39725%0.248SC..EExtended strand (participates in β ladder)trans-71.9-27171.800000111.4V365 P407V365-A381 HydrophobicContact CB-CB 4.45Å; V365-A381 HydrophobicContact CG1-CB 4.31Å; V365-A381 PolarHBondContact O-N 3.13Å; A381-P407 HydrophobicContact CB-CG 4.19Å
382G95.7Very high90.4Very high12 Ų1250.4 Ų50.412%0.12427%0.271CS..EExtended strand (participates in β ladder)trans162.5-165-179.400000111.4Y300 V365 V380Y300-G382 WeakPolarHBondContact OH-CA 3.46Å; V365-G382 PolarHBondContact N-O 3.01Å; V380-G382 VanDerWaalsContact C-N 3.26Å
383F97.5Very high91.4Very high2 Ų250.1 Ų50.11%0.00926%0.262CS..EExtended strand (participates in β ladder)trans-133.6149.1-179.4-62.3-92.7000110.7I155 T158 V181 Y300 M362 L363 A364 V380 P401I155-F383 HydrophobicContact CD1-CB 3.98Å; I155-F383 HydrophobicContact CD1-CD1 3.43Å; I155-F383 VanDerWaalsContact CD1-CD1 3.43Å; I155-F383 HydrophobicContact CD1-CD2 3.79Å; I155-F383 HydrophobicContact CD1-CE1 3.76Å; I155-F383 HydrophobicContact CD1-CE2 4.11Å; I155-F383 HydrophobicContact CD1-CG 3.44Å; I155-F383 VanDerWaalsContact CD1-CG 3.44Å; I155-F383 HydrophobicContact CD1-CZ 4.1Å; I155-F383 HydrophobicContact CG1-CD1 4.29Å; I155-F383 HydrophobicContact CG1-CD2 3.95Å; I155-F383 HydrophobicContact CG1-CE1 4.25Å; I155-F383 HydrophobicContact CG1-CE2 3.94Å; I155-F383 HydrophobicContact CG1-CG 4.14Å; I155-F383 HydrophobicContact CG1-CZ 4.1Å; T158-F383 HydrophobicContact CG2-CE1 4.26Å; T158-F383 HydrophobicContact CG2-CE2 4Å; T158-F383 HydrophobicContact CG2-CZ 3.44Å; T158-F383 VanDerWaalsContact CG2-CZ 3.44Å; V181-F383 HydrophobicContact CG1-CE2 4.19Å; V181-F383 HydrophobicContact CG1-CZ 4.35Å; Y300-F383 HydrophobicContact CE1-CB 3.92Å; Y300-F383 WeakPolarHBondContact CE1-O 3.34Å; Y300-F383 PolarHBondContact OH-N 3.38Å; M362-F383 HydrophobicContact CE-CB 3.66Å; L363-F383 VanDerWaalsContact O-CA 3.3Å; L363-F383 WeakPolarHBondContact O-CA 3.47Å; A364-F383 HydrophobicContact CB-CD1 3.66Å; A364-F383 HydrophobicContact CB-CE1 3.36Å; A364-F383 HydrophobicContact CB-CZ 4.17Å; V380-F383 HydrophobicContact CG2-CE2 3.67Å; V380-F383 HydrophobicContact CG2-CZ 3.77Å; F383-P401 WeakPolarHBondContact O-CD 3.5Å
384I97.7Very high92.3Very high2 Ų252 Ų521%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-127153.8171.957.3170.1000109.1I316 M362 L363 V365 V398 L399 L406 L411I316-I384 HydrophobicContact CD1-CD1 4.44Å; M362-I384 CarbonylContact C-O 3.57Å; M362-I384 WeakPolarHBondContact CA-O 3.26Å; L363-I384 HydrophobicContact CB-CD1 4.38Å; L363-I384 HydrophobicContact CB-CG1 3.89Å; L363-I384 HydrophobicContact CD1-CD1 4.39Å; L363-I384 PolarHBondContact N-O 2.96Å; L363-I384 PolarHBondContact O-N 3.2Å; V365-I384 HydrophobicContact CG2-CG1 4.23Å; V365-I384 HydrophobicContact CG2-CG2 4.07Å; I384-V398 HydrophobicContact CB-CB 4.47Å; I384-V398 HydrophobicContact CD1-CB 4.3Å; I384-V398 HydrophobicContact CD1-CG1 4.06Å; I384-V398 HydrophobicContact CD1-CG2 4.44Å; I384-L399 CarbonylContact C-O 3.55Å; I384-L399 VanDerWaalsContact CA-O 3.27Å; I384-L399 WeakPolarHBondContact CA-O 3.5Å; I384-L399 WeakPolarHBondContact CB-O 3.44Å; I384-L406 HydrophobicContact CD1-CD1 3.93Å; I384-L406 HydrophobicContact CD1-CD2 4.44Å; I384-L406 HydrophobicContact CG2-CD2 3.99Å; I384-L411 HydrophobicContact CD1-CD1 4.04Å; I384-L411 HydrophobicContact CD1-CD2 4.5Å
385C97.7Very high93.1Very high1 Ų147.8 Ų47.81%0.00725%0.25CC..EExtended strand (participates in β ladder)trans-110.8133.5175.7-175.50000109.7F301 M362 C387 V398 L399 F418F301-C385 HydrophobicContact CE2-CB 4.05Å; F301-C385 HydrophobicContact CZ-CB 3.88Å; M362-C385 HydrophobicContact CE-CB 4.42Å; M362-C385 HydrophobicContact SD-CB 3.65Å; C385-C387 PolarHBondContact O-N 2.86Å; C385-V398 CarbonylContact O-C 3.57Å; C385-V398 WeakPolarHBondContact O-CA 3.39Å; C385-L399 HydrophobicContact CB-CB 4.21Å; C385-L399 PolarHBondContact N-O 3.36Å; C385-L399 PolarHBondContact O-N 3.47Å; C385-F418 HydrophobicContact CB-CD1 4.43Å; C385-F418 PolarHBondContact SG-O 3.23Å
386V97.5Very high94Very high0 Ų047.8 Ų47.80%025%0.25CC..EExtended strand (participates in β ladder)trans-82.5111.5175.1179.60000109.4L358 H360 H361 L363 V389 M396 V398L358-V386 HydrophobicContact CB-CG1 4.32Å; L358-V386 HydrophobicContact CB-CG2 4.31Å; L358-V386 WeakPolarHBondContact O-CB 3.49Å; H360-V386 VanDerWaalsContact CA-O 3.27Å; H360-V386 WeakPolarHBondContact CA-O 3.31Å; H360-V386 PolarHBondContact N-O 3.5Å; H361-V386 PolarHBondContact O-N 3.45Å; H361-V386 VanDerWaalsContact O-N 3.08Å; L363-V386 HydrophobicContact CD1-CG2 3.65Å; L363-V386 HydrophobicContact CG-CG2 3.98Å; V386-V389 HydrophobicContact CG1-CG2 3.64Å; V386-M396 HydrophobicContact CG1-CB 4.22Å; V386-M396 HydrophobicContact CG2-SD 4.07Å; V386-V398 HydrophobicContact CG2-CG1 4.45Å
387C96.6Very high94.8Very high32 Ų3246.6 Ų46.622%0.21625%0.245CC..EExtended strand (participates in β ladder)trans-95-30-176-61.70000113.2L359 C385 T397L359-C387 WeakPolarHBondContact CD1-O 3.3Å; C385-C387 PolarHBondContact O-N 2.86Å; C387-T397 PolarHBondContact N-O 3.27Å
388K96.5Very high95.9Very high140 Ų14046.1 Ų46.161%0.60924%0.24SC*.EExtended strand (participates in β ladder)trans-146.1150.9177.2-59.4-179.8179.2172.50110.2M396 T397K388-M396 CarbonylContact O-C 3.57Å; K388-M396 VanDerWaalsContact O-CA 3.26Å; K388-M396 WeakPolarHBondContact O-CA 3.46Å; K388-M396 WeakPolarHBondContact O-CB 3.36Å; K388-T397 PolarHBondContact N-O 3.36Å; K388-T397 PolarHBondContact O-N 3.3Å
389V97.6Very high96.5Very high36 Ų3644.9 Ų44.922%0.21823%0.232CC..EExtended strand (participates in β ladder)trans-131.7126.4173.9-176.30000108.7F318 V386 M391 M396F318-V389 HydrophobicContact CE1-CG1 4.16Å; F318-V389 HydrophobicContact CZ-CG1 3.73Å; V386-V389 HydrophobicContact CG1-CG2 3.64Å; V389-M391 HydrophobicContact CG1-SD 4.33Å; V389-M396 HydrophobicContact CG2-CB 4.48Å
390S97.7Very high96.9Very high33 Ų3342.8 Ų42.823%0.23122%0.221CC..EExtended strand (participates in β ladder)trans-115.6110.2175.1-178.50000110.5E392 K393 Q394 N395S390-E392 VanDerWaalsContact C-N 3.33Å; S390-K393 WeakPolarHBondContact OG-CB 3.23Å; S390-K393 PolarHBondContact OG-N 3.45Å; S390-K393 VanDerWaalsContact OG-N 3.16Å; S390-Q394 WeakPolarHBondContact O-CA 3.48Å; S390-Q394 PolarHBondContact O-N 3.45Å; S390-N395 WeakPolarHBondContact CB-OD1 3.47Å; S390-N395 PolarHBondContact N-O 3.02Å; S390-N395 PolarHBondContact O-N 2.83Å; S390-N395 VanDerWaalsContact O-N 3.13Å
391M97.5Very high96.9Very high93 Ų9344.1 Ų44.146%0.45823%0.23SC..THydrogen-bonded Turntrans-72.4-29.4175.1-63.4-55.6-68.200112.3F318 P356 V389 Q394F318-M391 HydrophobicContact CE2-CE 4.44Å; F318-M391 HydrophobicContact CE2-SD 3.89Å; F318-M391 HydrophobicContact CZ-SD 4.07Å; P356-M391 HydrophobicContact CG-CG 4.19Å; P356-M391 HydrophobicContact CG-SD 4.34Å; V389-M391 HydrophobicContact CG1-SD 4.33Å; M391-Q394 PolarHBondContact O-NE2 2.98Å
392E96.6Very high97Very high183 Ų18348.2 Ų48.286%0.85524%0.241SC*.THydrogen-bonded Turntrans-69.4-45.9177.2-174.8-175174.500111.2S390 Q394S390-E392 VanDerWaalsContact C-N 3.33Å; E392-Q394 VanDerWaalsContact C-N 3.32Å
393K96.8Very high96.9Very high149 Ų14950.7 Ų50.765%0.64826%0.255SS*.THydrogen-bonded Turntrans-84.4-6.4178.9-62.4-177.5-179.9179.80113.6S390 N395S390-K393 WeakPolarHBondContact OG-CB 3.23Å; S390-K393 PolarHBondContact OG-N 3.45Å; S390-K393 VanDerWaalsContact OG-N 3.16Å; K393-N395 PolarHBondContact O-N 2.86Å
394Q97.4Very high96.7Very high99 Ų9959.9 Ų59.946%0.46329%0.29SS..THydrogen-bonded Turntrans51.844-174.5-64.3-76-55.600112.2F318 S390 M391 E392F318-Q394 WeakPolarHBondContact CB-O 3.38Å; F318-Q394 WeakPolarHBondContact CD1-O 3.36Å; F318-Q394 HydrophobicContact CD2-CB 3.96Å; F318-Q394 HydrophobicContact CE2-CB 4.41Å; F318-Q394 HydrophobicContact CG-CB 4.42Å; F318-Q394 VanDerWaalsContact CG-O 3.23Å; F318-Q394 WeakPolarHBondContact CG-O 3.41Å; F318-Q394 PolarHBondContact N-O 2.81Å; S390-Q394 WeakPolarHBondContact O-CA 3.48Å; S390-Q394 PolarHBondContact O-N 3.45Å; M391-Q394 PolarHBondContact O-NE2 2.98Å; E392-Q394 VanDerWaalsContact C-N 3.32Å
395N97.7Very high96.4Very high23 Ų2365.3 Ų65.312%0.12333%0.325CS..EExtended strand (participates in β ladder)trans-140.9163.3-178.977.5-5.2000112.4D315 I316 F318 S390 K393D315-N395 PolarHBondContact OD2-ND2 2.63Å; I316-N395 CarbonylContact O-C 3.51Å; I316-N395 VanDerWaalsContact O-CA 3.3Å; I316-N395 WeakPolarHBondContact O-CA 3.21Å; I316-N395 WeakPolarHBondContact O-CB 3.47Å; F318-N395 VanDerWaalsContact CE1-O 3.24Å; F318-N395 WeakPolarHBondContact CE1-O 3.07Å; S390-N395 WeakPolarHBondContact CB-OD1 3.47Å; S390-N395 PolarHBondContact N-O 3.02Å; S390-N395 PolarHBondContact O-N 2.83Å; S390-N395 VanDerWaalsContact O-N 3.13Å; K393-N395 PolarHBondContact O-N 2.86Å
396M97.2Very high96.2Very high1 Ų166.6 Ų66.61%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-127.9139.7172.859.6-177.4-178.400110.4D315 I316 F318 V321 I323 L363 V386 K388 V389 V398 L411D315-M396 CarbonylContact C-O 3.55Å; D315-M396 WeakPolarHBondContact CA-O 3.4Å; I316-M396 HydrophobicContact CB-CE 4.2Å; I316-M396 HydrophobicContact CB-CG 4.28Å; I316-M396 HydrophobicContact CD1-CE 4.36Å; I316-M396 HydrophobicContact CG2-CE 4.12Å; I316-M396 PolarHBondContact N-O 3.4Å; I316-M396 PolarHBondContact O-N 3.44Å; F318-M396 HydrophobicContact CE1-CB 4.18Å; V321-M396 HydrophobicContact CG2-CE 3.76Å; I323-M396 HydrophobicContact CD1-CE 4.24Å; I323-M396 HydrophobicContact CD1-SD 4.39Å; L363-M396 HydrophobicContact CD1-CE 4.33Å; V386-M396 HydrophobicContact CG1-CB 4.22Å; V386-M396 HydrophobicContact CG2-SD 4.07Å; K388-M396 CarbonylContact O-C 3.57Å; K388-M396 VanDerWaalsContact O-CA 3.26Å; K388-M396 WeakPolarHBondContact O-CA 3.46Å; K388-M396 WeakPolarHBondContact O-CB 3.36Å; V389-M396 HydrophobicContact CG2-CB 4.48Å; M396-V398 HydrophobicContact CE-CG1 4.28Å; M396-V398 HydrophobicContact CG-CG1 4.12Å; M396-V398 HydrophobicContact SD-CG1 4.33Å; M396-L411 HydrophobicContact CE-CD1 4.22Å
397T97.1Very high95.9Very high24 Ų2470.9 Ų70.915%0.14736%0.359CS..EExtended strand (participates in β ladder)trans-89.8126.4170.7-50.10000108.3S313 F314 D315 C387 K388S313-T397 VanDerWaalsContact OG-CG2 3.27Å; S313-T397 WeakPolarHBondContact OG-CG2 3.44Å; F314-T397 WeakPolarHBondContact O-CA 3.17Å; D315-T397 WeakPolarHBondContact OD1-CB 3.23Å; D315-T397 PolarHBondContact OD1-OG1 2.69Å; C387-T397 PolarHBondContact N-O 3.27Å; K388-T397 PolarHBondContact N-O 3.36Å; K388-T397 PolarHBondContact O-N 3.3Å
398V97.1Very high95.7Very high0 Ų073.4 Ų73.40%036%0.364CS..EExtended strand (participates in β ladder)trans-115151.6-180-56.10000111.5S313 F314 I316 I384 C385 V386 M396S313-V398 VanDerWaalsContact CA-O 3.26Å; S313-V398 WeakPolarHBondContact CA-O 3.16Å; S313-V398 PolarHBondContact OG-O 2.86Å; F314-V398 HydrophobicContact CD2-CG2 4.11Å; F314-V398 HydrophobicContact CE1-CG2 4.45Å; F314-V398 HydrophobicContact CE2-CG2 3.81Å; F314-V398 HydrophobicContact CZ-CG2 3.99Å; F314-V398 PolarHBondContact N-O 3.15Å; F314-V398 PolarHBondContact O-N 2.82Å; I316-V398 HydrophobicContact CD1-CB 4.44Å; I316-V398 HydrophobicContact CD1-CG1 3.97Å; I316-V398 HydrophobicContact CD1-CG2 3.6Å; I316-V398 HydrophobicContact CG1-CG2 4.09Å; I384-V398 HydrophobicContact CB-CB 4.47Å; I384-V398 HydrophobicContact CD1-CB 4.3Å; I384-V398 HydrophobicContact CD1-CG1 4.06Å; I384-V398 HydrophobicContact CD1-CG2 4.44Å; C385-V398 CarbonylContact O-C 3.57Å; C385-V398 WeakPolarHBondContact O-CA 3.39Å; V386-V398 HydrophobicContact CG2-CG1 4.45Å; M396-V398 HydrophobicContact CE-CG1 4.28Å; M396-V398 HydrophobicContact CG-CG1 4.12Å; M396-V398 HydrophobicContact SD-CG1 4.33Å
399L97.4Very high95.5Very high4 Ų473.2 Ų73.22%0.02136%0.363CS..EExtended strand (participates in β ladder)trans-96.6128.4162.4-173.272.1000108.3F301 Y302 P311 H312 I384 C385 F418F301-L399 HydrophobicContact CB-CD2 4.2Å; F301-L399 HydrophobicContact CD1-CD2 3.88Å; F301-L399 HydrophobicContact CD1-CG 3.9Å; F301-L399 HydrophobicContact CD2-CD2 3.9Å; F301-L399 HydrophobicContact CE1-CB 4.4Å; F301-L399 HydrophobicContact CE1-CD2 4.16Å; F301-L399 HydrophobicContact CE1-CG 4.01Å; F301-L399 WeakPolarHBondContact CE1-O 3.49Å; F301-L399 HydrophobicContact CE2-CD2 4.18Å; F301-L399 HydrophobicContact CG-CD2 3.74Å; F301-L399 HydrophobicContact CG-CG 4.29Å; F301-L399 HydrophobicContact CZ-CD2 4.3Å; F301-L399 HydrophobicContact CZ-CG 4.48Å; Y302-L399 HydrophobicContact CE2-CD2 4.35Å; Y302-L399 WeakPolarHBondContact OH-CD2 3.24Å; P311-L399 HydrophobicContact CB-CD1 3.74Å; P311-L399 HydrophobicContact CB-CG 4.07Å; P311-L399 HydrophobicContact CG-CD1 3.83Å; P311-L399 HydrophobicContact CG-CG 4.41Å; H312-L399 CarbonylContact O-C 3.55Å; H312-L399 WeakPolarHBondContact O-CA 3.35Å; I384-L399 CarbonylContact C-O 3.55Å; I384-L399 VanDerWaalsContact CA-O 3.27Å; I384-L399 WeakPolarHBondContact CA-O 3.5Å; I384-L399 WeakPolarHBondContact CB-O 3.44Å; C385-L399 HydrophobicContact CB-CB 4.21Å; C385-L399 PolarHBondContact N-O 3.36Å; C385-L399 PolarHBondContact O-N 3.47Å; L399-F418 HydrophobicContact CD2-CE1 4.2Å
400S97.3Very high95.4Very high6 Ų671.5 Ų71.54%0.04235%0.353CS..EExtended strand (participates in β ladder)trans-136.9140.6-174.21760000111P311 H312 Q402P311-S400 CarbonylContact C-O 3.43Å; P311-S400 WeakPolarHBondContact CA-O 3.48Å; H312-S400 PolarHBondContact N-O 3.4Å; H312-S400 PolarHBondContact O-N 3.18Å; S400-Q402 VanDerWaalsContact CB-O 3.24Å; S400-Q402 WeakPolarHBondContact CB-O 3.46Å; S400-Q402 PolarHBondContact O-N 3.13Å; S400-Q402 PolarHBondContact OG-N 3.47Å; S400-Q402 PolarHBondContact OG-O 2.97Å
401P95.4Very high95.3Very high38 Ų3870 Ų7025%0.24734%0.342CS..SBendtrans-66.7-18.7174.1-16.831.6000113.2Y300 F301 F383Y300-P401 HydrophobicContact CD1-CG 4.31Å; Y300-P401 HydrophobicContact CE1-CG 3.44Å; Y300-P401 VanDerWaalsContact CE1-CG 3.44Å; F301-P401 HydrophobicContact CD1-CG 4.02Å; F301-P401 HydrophobicContact CE1-CG 4.03Å; F383-P401 WeakPolarHBondContact O-CD 3.5Å
402Q94.6Very high95.2Very high134 Ų13465.9 Ų65.963%0.62632%0.322SS*.SBendtrans-124.1148.8-179.7-67.5-64.4-37.800110.4S400S400-Q402 VanDerWaalsContact CB-O 3.24Å; S400-Q402 WeakPolarHBondContact CB-O 3.46Å; S400-Q402 PolarHBondContact O-N 3.13Å; S400-Q402 PolarHBondContact OG-N 3.47Å; S400-Q402 PolarHBondContact OG-O 2.97Å
403P94.4Very high95.1Very high64 Ų6459.2 Ų59.242%0.41629%0.289SS..PPolyproline II helixtrans-67.3166.9176.430.5-35.1000111.2
404R92.1Very high95.1Very high196 Ų19652.3 Ų52.374%0.7426%0.259SS*.SBendtrans-59.6154.8172.374178.8-165.41713.3111.8F314F314-R404 HydrophobicContact CD1-CB 4.26Å; F314-R404 HydrophobicContact CD2-CB 3.85Å; F314-R404 HydrophobicContact CE1-CB 4.25Å; F314-R404 HydrophobicContact CE2-CB 3.84Å; F314-R404 HydrophobicContact CG-CB 4.06Å; F314-R404 HydrophobicContact CZ-CB 4.05Å
405P93Very high95Very high115 Ų11551 Ų5175%0.74726%0.255SS*.SBendcis-77.3160.3-6.533.2-35000112
406L93.3Very high94.9Very high29 Ų2950.6 Ų50.615%0.15225%0.253CS..PPolyproline II helixtrans-59.8145.2166.9-66.3-176.8000109.9F314 I316 V321 I384 R408 L411F314-L406 HydrophobicContact CE2-CD2 4.48Å; F314-L406 HydrophobicContact CZ-CD2 3.99Å; I316-L406 HydrophobicContact CD1-CD1 3.52Å; I316-L406 HydrophobicContact CD1-CG 3.95Å; V321-L406 HydrophobicContact CG1-CD1 4.45Å; I384-L406 HydrophobicContact CD1-CD1 3.93Å; I384-L406 HydrophobicContact CD1-CD2 4.44Å; I384-L406 HydrophobicContact CG2-CD2 3.99Å; L406-R408 WeakPolarHBondContact CB-O 3.42Å; L406-R408 PolarHBondContact O-N 2.75Å; L406-L411 HydrophobicContact CD1-CD1 4.44Å; L406-L411 HydrophobicContact CD1-CD2 4.19Å
407P91.7Very high94.9Very high89 Ų8954.5 Ų54.558%0.57828%0.277SS*.SBendtrans-64.2-28.4-17925.6-34.6000112.5V365 A381V365-P407 HydrophobicContact CG1-CG 3.89Å; A381-P407 HydrophobicContact CB-CG 4.19Å
408R91.9Very high94.8Very high86 Ų8653.6 Ų53.633%0.32527%0.271SS..  trans-144.7164.3177.5-65.8-62.2-167.9-176.65.4110.7T366 H367 C368 E369 L406T366-R408 WeakPolarHBondContact O-CB 3.33Å; T366-R408 VanDerWaalsContact O-CG 3.26Å; T366-R408 WeakPolarHBondContact O-CG 3.28Å; H367-R408 PolarHBondContact O-NE 3.06Å; C368-R408 WeakPolarHBondContact O-CD 3.48Å; E369-R408 IonicContact OE1-CZ 3.93Å; E369-R408 IonicContact OE1-NH1 2.77Å; E369-R408 PolarHBondContact OE1-NH1 2.99Å; E369-R408 IonicContact OE1-NH2 2.91Å; E369-R408 PolarHBondContact OE1-NH2 2.97Å; L406-R408 WeakPolarHBondContact CB-O 3.42Å; L406-R408 PolarHBondContact O-N 2.75Å
409K91.8Very high94.5Very high136 Ų13658.3 Ų58.359%0.59130%0.295SS*.SBendtrans-102.8-14.2-173.8-64.2179.3172.6-175.70114.1E320 V321 L322E320-K409 WeakPolarHBondContact O-CB 3.33Å; E320-K409 VanDerWaalsContact O-CD 3.25Å; E320-K409 WeakPolarHBondContact O-CD 3.36Å; E320-K409 VanDerWaalsContact O-CG 3.25Å; E320-K409 WeakPolarHBondContact O-CG 3.44Å; V321-K409 CarbonylContact C-O 3.58Å; V321-K409 WeakPolarHBondContact CA-O 3.46Å; V321-K409 WeakPolarHBondContact CB-O 3.26Å; L322-K409 PolarHBondContact N-O 3.43Å
410V94.6Very high93.6Very high0 Ų058.9 Ų58.90%030%0.298CS..EExtended strand (participates in β ladder)trans-88.1119179.71780000109.1F324 T366 C368 I375F324-V410 HydrophobicContact CD2-CG1 3.88Å; F324-V410 HydrophobicContact CE2-CG1 3.9Å; T366-V410 HydrophobicContact CG2-CG1 4.4Å; T366-V410 PolarHBondContact N-O 2.8Å; T366-V410 WeakPolarHBondContact OG1-CB 3.25Å; T366-V410 PolarHBondContact OG1-O 3.01Å; C368-V410 HydrophobicContact CB-CB 4Å; C368-V410 HydrophobicContact CB-CG1 4.11Å; C368-V410 HydrophobicContact CB-CG2 4.1Å; I375-V410 HydrophobicContact CD1-CG1 4.05Å; I375-V410 HydrophobicContact CG1-CG1 4.14Å
411L95.7Very high92.3Very high0 Ų065.3 Ų65.30%033%0.331CS..EExtended strand (participates in β ladder)trans-120.4141.8-175.3-56.1-177.6000110.7V321 L322 I323 F324 L363 A364 V365 I384 M396 L406V321-L411 HydrophobicContact CB-CD1 4Å; V321-L411 HydrophobicContact CB-CG 4.41Å; V321-L411 HydrophobicContact CG1-CD1 3.96Å; V321-L411 HydrophobicContact CG1-CG 4.47Å; V321-L411 HydrophobicContact CG2-CD1 4.3Å; L322-L411 PolarHBondContact O-N 2.89Å; I323-L411 WeakPolarHBondContact CA-O 3.24Å; I323-L411 HydrophobicContact CG1-CB 4.27Å; I323-L411 HydrophobicContact CG1-CD1 4.33Å; F324-L411 PolarHBondContact N-O 3.23Å; L363-L411 HydrophobicContact CB-CB 4.38Å; L363-L411 HydrophobicContact CD1-CD1 3.81Å; A364-L411 CarbonylContact O-C 3.58Å; A364-L411 WeakPolarHBondContact O-CA 3.46Å; V365-L411 HydrophobicContact CB-CD2 4.18Å; V365-L411 HydrophobicContact CG1-CD2 4.19Å; V365-L411 HydrophobicContact CG2-CD2 3.86Å; I384-L411 HydrophobicContact CD1-CD1 4.04Å; I384-L411 HydrophobicContact CD1-CD2 4.5Å; M396-L411 HydrophobicContact CE-CD1 4.22Å; L406-L411 HydrophobicContact CD1-CD1 4.44Å; L406-L411 HydrophobicContact CD1-CD2 4.19Å
412L95.2Very high90.6Very high7 Ų769.2 Ų69.24%0.03735%0.349CS..EExtended strand (participates in β ladder)trans-105.5123.1173.3-70.5176.3000110.8F324 I326 L363 A364 T366 I375F324-L412 HydrophobicContact CB-CD2 4.06Å; F324-L412 CarbonylContact O-C 3.58Å; F324-L412 WeakPolarHBondContact O-CA 3.25Å; I326-L412 HydrophobicContact CD1-CD1 4.1Å; I326-L412 HydrophobicContact CD1-CD2 4.2Å; I326-L412 HydrophobicContact CG1-CD2 4.11Å; L363-L412 CarbonylContact C-O 3.51Å; L363-L412 VanDerWaalsContact CA-O 3.26Å; L363-L412 WeakPolarHBondContact CA-O 3.44Å; A364-L412 HydrophobicContact CB-CB 4.05Å; A364-L412 PolarHBondContact N-O 3.43Å; A364-L412 PolarHBondContact O-N 3.03Å; T366-L412 HydrophobicContact CG2-CD1 3.87Å; T366-L412 HydrophobicContact CG2-CG 3.78Å; I375-L412 HydrophobicContact CG2-CD1 4.1Å; I375-L412 HydrophobicContact CG2-CD2 3.43Å; I375-L412 VanDerWaalsContact CG2-CD2 3.43Å; I375-L412 HydrophobicContact CG2-CG 4.04Å
413W95.6Very high88.1Confident44 Ų4472.5 Ų72.517%0.16736%0.364CS..EExtended strand (participates in β ladder)trans-73.5127.4172-179.814.5000110.7I323 F324 K325 V352 Q357 L358 H361 L363I323-W413 HydrophobicContact CG2-CB 4.17Å; F324-W413 PolarHBondContact O-N 2.99Å; K325-W413 HydrophobicContact CB-CE3 4.42Å; K325-W413 HydrophobicContact CD-CE3 4.12Å; K325-W413 HydrophobicContact CD-CZ3 4.46Å; V352-W413 HydrophobicContact CB-CE3 4.39Å; V352-W413 HydrophobicContact CG1-CE3 3.71Å; V352-W413 HydrophobicContact CG1-CZ3 3.8Å; V352-W413 HydrophobicContact CG2-CE3 3.9Å; V352-W413 HydrophobicContact CG2-CZ3 4.39Å; Q357-W413 HydrophobicContact CB-CH2 4.16Å; Q357-W413 HydrophobicContact CG-CH2 3.63Å; Q357-W413 HydrophobicContact CG-CZ2 4.32Å; Q357-W413 HydrophobicContact CG-CZ3 4.1Å; L358-W413 HydrophobicContact CD2-CD2 3.83Å; L358-W413 HydrophobicContact CD2-CE3 4.07Å; L358-W413 HydrophobicContact CD2-CG 4.03Å; H361-W413 AromaticContact CD2-NE1 3.26Å; H361-W413 PolarHBondContact CD2-NE1 2.83Å; H361-W413 VanDerWaalsContact CD2-NE1 3.26Å; H361-W413 AromaticContact CG-NE1 3.4Å; H361-W413 AromaticContact NE2-NE1 3.87Å; L363-W413 HydrophobicContact CD2-CB 4.06Å; L363-W413 HydrophobicContact CD2-CG 4.38Å
414T96Very high87.8Confident3 Ų372.9 Ų72.92%0.01836%0.361CS..EExtended strand (participates in β ladder)trans-109.7153.5171.776.30000111.6S183 H361 M362 I416S183-T414 WeakPolarHBondContact OG-CG2 3.26Å; H361-T414 PolarHBondContact CD2-O 3.19Å; H361-T414 VanDerWaalsContact CD2-O 3.23Å; M362-T414 WeakPolarHBondContact CB-OG1 3.42Å; M362-T414 PolarHBondContact O-N 3.05Å; M362-T414 PolarHBondContact O-OG1 2.74Å; T414-I416 PolarHBondContact O-N 3.07Å; T414-I416 PolarHBondContact OG1-N 2.77Å
415D95.5Very high87.6Confident71 Ų7166.4 Ų66.438%0.3834%0.341SS..EExtended strand (participates in β ladder)trans-77.75.4171.1-64.5-21000112G185 H186 K325G185-D415 PolarHBondContact O-N 2.77Å; H186-D415 IonicContact CE1-OD2 2.63Å; H186-D415 PolarHBondContact CE1-OD2 2.67Å; H186-D415 IonicContact ND1-OD2 2.65Å; H186-D415 PolarHBondContact ND1-OD2 3.03Å; K325-D415 IonicContact NZ-OD1 3.2Å; K325-D415 PolarHBondContact NZ-OD1 3.43Å
416I96.6Very high87.3Confident15 Ų1563.7 Ų63.78%0.07732%0.319CS..EExtended strand (participates in β ladder)trans-81.6123.3178.6-52.1-60.3000108.3P156 A187 V297 M362 T414P156-I416 HydrophobicContact CB-CD1 4.24Å; P156-I416 WeakPolarHBondContact O-CG1 3.23Å; A187-I416 HydrophobicContact CB-CD1 4.01Å; V297-I416 HydrophobicContact CG2-CG2 4.35Å; M362-I416 HydrophobicContact CB-CB 4.34Å; M362-I416 HydrophobicContact CG-CB 4.21Å; M362-I416 HydrophobicContact CG-CG2 3.98Å; M362-I416 WeakPolarHBondContact CG-O 3.2Å; M362-I416 PolarHBondContact N-O 3.06Å; T414-I416 PolarHBondContact O-N 3.07Å; T414-I416 PolarHBondContact OG1-N 2.77Å
417T95.7Very high86.9Confident83 Ų8365.8 Ų65.851%0.50933%0.328SS..EExtended strand (participates in β ladder)trans-110.2144.8-178.5600000112.1H360H360-T417 CarbonylContact O-C 3.56Å; H360-T417 WeakPolarHBondContact O-CA 3.05Å
418F95.4Very high86.6Confident6 Ų664.3 Ų64.33%0.02631%0.313CS..  trans-140.9129.3172.3-178.4-111.5000109.7R294 V297 H298 F301 Y302 H360 M362 C385 L399 D420R294-F418 HydrophobicContact CG-CD2 4.16Å; R294-F418 HydrophobicContact CG-CE2 4.18Å; V297-F418 HydrophobicContact CB-CB 4.3Å; V297-F418 HydrophobicContact CB-CD2 3.67Å; V297-F418 HydrophobicContact CB-CE2 4.2Å; V297-F418 HydrophobicContact CB-CG 4.06Å; V297-F418 HydrophobicContact CG1-CB 3.6Å; V297-F418 HydrophobicContact CG1-CD1 3.96Å; V297-F418 HydrophobicContact CG1-CD2 3.58Å; V297-F418 HydrophobicContact CG1-CE2 4.22Å; V297-F418 HydrophobicContact CG1-CG 3.43Å; V297-F418 VanDerWaalsContact CG1-CG 3.43Å; H298-F418 HydrophobicContact CB-CE2 3.95Å; H298-F418 HydrophobicContact CB-CZ 4.11Å; F301-F418 HydrophobicContact CD2-CD1 4.27Å; F301-F418 HydrophobicContact CD2-CE1 4.06Å; F301-F418 HydrophobicContact CE2-CD1 4.18Å; F301-F418 HydrophobicContact CE2-CE1 4.41Å; Y302-F418 HydrophobicContact CE2-CE1 4.39Å; Y302-F418 HydrophobicContact CE2-CZ 4.26Å; H360-F418 WeakPolarHBondContact CB-O 3.41Å; H360-F418 PolarHBondContact O-N 3.18Å; M362-F418 HydrophobicContact SD-CB 3.84Å; C385-F418 HydrophobicContact CB-CD1 4.43Å; C385-F418 PolarHBondContact SG-O 3.23Å; L399-F418 HydrophobicContact CD2-CE1 4.2Å; F418-D420 HydrophobicContact CE1-CB 4.1Å
419M91.3Very high86.3Confident99 Ų9962.9 Ų62.949%0.48831%0.312SS..  trans-113113.5173.1-175.8179.6-77.900106.3H360 L421H360-M419 WeakPolarHBondContact NE2-CE 3.38Å; M419-L421 HydrophobicContact CG-CD2 4.34Å; M419-L421 PolarHBondContact O-N 3.16Å; M419-L421 HydrophobicContact SD-CD2 4.26Å
420D77.7Confident85.9Confident16 Ų1657.6 Ų57.69%0.08629%0.292CS..  trans-71.6118.6171.1-175.415.5000108.4Y302 F418 L422 H423Y302-D420 PolarHBondContact OH-OD1 3.22Å; Y302-D420 PolarHBondContact OH-OD2 3.46Å; F418-D420 HydrophobicContact CE1-CB 4.1Å; D420-L422 VanDerWaalsContact C-N 3.31Å; D420-L422 WeakPolarHBondContact OD1-CB 3.37Å; D420-L422 PolarHBondContact OD1-N 3.17Å; D420-H423 IonicContact OD2-CD2 3.64Å; D420-H423 PolarHBondContact OD2-CD2 3.17Å; D420-H423 VanDerWaalsContact OD2-CD2 3.23Å; D420-H423 IonicContact OD2-CG 3.87Å
421L71.1Confident85.2Confident141 Ų14162.1 Ų62.174%0.73832%0.315SS*.THydrogen-bonded Turntrans-87.8-4.3179.1-61.9174.2000112M419 H423M419-L421 HydrophobicContact CG-CD2 4.34Å; M419-L421 PolarHBondContact O-N 3.16Å; M419-L421 HydrophobicContact SD-CD2 4.26Å; L421-H423 VanDerWaalsContact C-N 3.29Å
422L59.1Low84.4Confident120 Ų12067.3 Ų67.363%0.62834%0.341SS*.THydrogen-bonded Turntrans-83-4177.3-66.1169.4000113Y302 D420Y302-L422 HydrophobicContact CD1-CD1 4.46Å; Y302-L422 HydrophobicContact CE1-CD1 3.99Å; D420-L422 VanDerWaalsContact C-N 3.31Å; D420-L422 WeakPolarHBondContact OD1-CB 3.37Å; D420-L422 PolarHBondContact OD1-N 3.17Å
423H43Very low83.4Confident202 Ų20272.7 Ų72.794%0.93537%0.368SS*.  trans-130.10-179.3-74.3-42.3000114.3D420 L421D420-H423 IonicContact OD2-CD2 3.64Å; D420-H423 PolarHBondContact OD2-CD2 3.17Å; D420-H423 VanDerWaalsContact OD2-CD2 3.23Å; D420-H423 IonicContact OD2-CG 3.87Å; L421-H423 VanDerWaalsContact C-N 3.29Å

Retrieved 423 of 423 residues in 843.5 ms (Link to these results)

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