A0A077ZCY8_TRITR Loading...

AAA 18 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCY8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 197 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
1M31.8Very low70.1Confident221 Ų22158.3 Ų58.3100%1.08932%0.318SS*.  0113.70-120.8177.2-94.100105.6
2D37.3Very low72.4Confident125 Ų12553.7 Ų53.767%0.66829%0.292SS*.  trans-69.2141-173-165.2-8.5000110.5S4D2-S4 PolarHBondContact O-N 2.85Å; D2-S4 VanDerWaalsContact OD1-CB 3.28Å; D2-S4 WeakPolarHBondContact OD1-CB 3.26Å; D2-S4 PolarHBondContact OD1-N 2.55Å; D2-S4 PolarHBondContact OD1-OG 3.31Å; D2-S4 VanDerWaalsContact OD2-CB 3.26Å; D2-S4 WeakPolarHBondContact OD2-CB 3.28Å; D2-S4 PolarHBondContact OD2-OG 3.19Å
3V41.5Very low74.4Confident111 Ų11149.5 Ų49.567%0.67327%0.27SS*.THydrogen-bonded Turntrans-73.8-0.9175.7-177.20000110.3K79V3-K79 PolarHBondContact O-NZ 2.69Å
4S49.2Very low76Confident53 Ų5346 Ų4637%0.37125%0.251SS..THydrogen-bonded Turntrans-97.7-12.5-160.174.50000119.6D2 M6D2-S4 PolarHBondContact O-N 2.85Å; D2-S4 VanDerWaalsContact OD1-CB 3.28Å; D2-S4 WeakPolarHBondContact OD1-CB 3.26Å; D2-S4 PolarHBondContact OD1-N 2.55Å; D2-S4 PolarHBondContact OD1-OG 3.31Å; D2-S4 VanDerWaalsContact OD2-CB 3.26Å; D2-S4 WeakPolarHBondContact OD2-CB 3.28Å; D2-S4 PolarHBondContact OD2-OG 3.19Å; S4-M6 PolarHBondContact O-N 2.55Å
5L58.9Low77.3Confident89 Ų8946.1 Ų46.147%0.46625%0.249SC..  trans-83.289.2-175.7-85.6159.4000111E111L5-E111 HydrophobicContact CD2-CB 4.25Å; L5-E111 HydrophobicContact CD2-CG 3.57Å
6M71.9Confident78.4Confident33 Ų3343.7 Ų43.716%0.16324%0.237CC..  trans-76.3142.4162.9-68.3161.9-87.800108.3S4 P73 K79 Q110S4-M6 PolarHBondContact O-N 2.55Å; M6-P73 HydrophobicContact CE-CB 3.24Å; M6-P73 HydrophobicContact CE-CG 4.2Å; M6-P73 HydrophobicContact SD-CB 3.12Å; M6-P73 WeakPolarHBondContact SD-CB 3.45Å; M6-P73 HydrophobicContact SD-CG 4.5Å; M6-K79 WeakPolarHBondContact CA-O 3.42Å; M6-K79 WeakPolarHBondContact CB-O 3.47Å; M6-K79 HydrophobicContact CG-CB 4.01Å; M6-K79 HydrophobicContact CG-CG 4.27Å; M6-K79 WeakPolarHBondContact CG-O 3.5Å; M6-Q110 VanDerWaalsContact CB-OE1 3.27Å; M6-Q110 WeakPolarHBondContact O-CB 3.5Å; M6-Q110 PolarHBondContact O-OE1 3.31Å
7A89.2Confident79.6Confident6 Ų641.1 Ų41.15%0.0522%0.223CC..EExtended strand (participates in β ladder)trans-145.3162.5-167.200000113K79 T80 I81 E111 Y113A7-K79 PolarHBondContact N-O 3.02Å; A7-T80 HydrophobicContact CB-CG2 4.34Å; A7-T80 WeakPolarHBondContact O-CA 3.34Å; A7-T80 WeakPolarHBondContact O-CG2 3.38Å; A7-I81 PolarHBondContact O-N 3.05Å; A7-E111 VanDerWaalsContact CA-O 3.28Å; A7-E111 WeakPolarHBondContact CA-O 3.48Å; A7-E111 HydrophobicContact CB-CB 4.48Å; A7-E111 WeakPolarHBondContact CB-O 3.5Å; A7-Y113 HydrophobicContact CB-CD2 4.34Å; A7-Y113 HydrophobicContact CB-CE2 4.22Å
8L97.4Very high80.5Confident0 Ų039.6 Ų39.60%022%0.218CC..EExtended strand (participates in β ladder)trans-109.6117.1165.5179.665000109.3V10 F66 I81 F83 I101 F105 E111 V112 Y113L8-V10 HydrophobicContact CD1-CG2 4.13Å; L8-V10 HydrophobicContact CD2-CG2 3.62Å; L8-V10 HydrophobicContact CG-CG2 3.6Å; L8-F66 HydrophobicContact CD1-CE2 4.49Å; L8-F66 HydrophobicContact CD1-CZ 4.44Å; L8-I81 HydrophobicContact CD1-CB 4.1Å; L8-I81 HydrophobicContact CD1-CG2 3.9Å; L8-F83 HydrophobicContact CD1-CB 4.07Å; L8-I101 HydrophobicContact CD2-CB 4.29Å; L8-I101 HydrophobicContact CD2-CD1 4.28Å; L8-I101 HydrophobicContact CD2-CG1 4.17Å; L8-F105 HydrophobicContact CB-CD1 3.77Å; L8-F105 HydrophobicContact CB-CD2 3.79Å; L8-F105 HydrophobicContact CB-CE1 3.78Å; L8-F105 HydrophobicContact CB-CE2 3.78Å; L8-F105 HydrophobicContact CB-CG 3.77Å; L8-F105 HydrophobicContact CB-CZ 3.79Å; L8-F105 HydrophobicContact CD1-CE2 3.99Å; L8-F105 HydrophobicContact CD1-CZ 4.02Å; L8-F105 HydrophobicContact CD2-CD2 3.72Å; L8-F105 HydrophobicContact CD2-CE2 3.71Å; L8-F105 HydrophobicContact CD2-CG 4.45Å; L8-F105 HydrophobicContact CD2-CZ 4.46Å; L8-F105 HydrophobicContact CG-CD2 4.25Å; L8-F105 HydrophobicContact CG-CE2 4.02Å; L8-F105 HydrophobicContact CG-CZ 4.29Å; L8-E111 PolarHBondContact N-O 3.46Å; L8-V112 HydrophobicContact CB-CG1 4.37Å; L8-V112 HydrophobicContact CB-CG2 4.39Å; L8-V112 HydrophobicContact CD2-CG1 4.21Å; L8-V112 WeakPolarHBondContact O-CA 3.38Å; L8-Y113 PolarHBondContact O-N 3.47Å
9I97.3Very high81.4Confident3 Ų338.3 Ų38.32%0.01521%0.21CC..EExtended strand (participates in β ladder)trans-102.1111.5167.5-59.8174.3000108L11 L26 I30 T80 I81 I82 F83 Y113 V115 L196I9-L11 HydrophobicContact CG2-CD2 3.93Å; I9-L26 HydrophobicContact CG2-CD1 4.42Å; I9-I30 HydrophobicContact CD1-CD1 3.65Å; I9-T80 HydrophobicContact CD1-CG2 3.83Å; I9-T80 HydrophobicContact CG1-CG2 3.87Å; I9-I81 PolarHBondContact N-O 3.03Å; I9-I82 CarbonylContact O-C 3.58Å; I9-I82 WeakPolarHBondContact O-CA 3.25Å; I9-F83 PolarHBondContact O-N 3.4Å; I9-Y113 CarbonylContact C-O 3.58Å; I9-Y113 WeakPolarHBondContact CA-O 3.14Å; I9-Y113 HydrophobicContact CG1-CD2 4.43Å; I9-V115 HydrophobicContact CG2-CG2 4.25Å; I9-L196 HydrophobicContact CD1-CD1 3.71Å; I9-L196 HydrophobicContact CD1-CD2 4.36Å
10V98.3Very high82.2Confident0 Ų037.2 Ų37.20%020%0.203CC..EExtended strand (participates in β ladder)trans-99.9108.3175.6-166.50000109.8L8 I12 F83 V85 L98 I101 Y113 F114 V115L8-V10 HydrophobicContact CD1-CG2 4.13Å; L8-V10 HydrophobicContact CD2-CG2 3.62Å; L8-V10 HydrophobicContact CG-CG2 3.6Å; V10-I12 HydrophobicContact CB-CG1 4.38Å; V10-I12 HydrophobicContact CG1-CD1 4.2Å; V10-I12 HydrophobicContact CG1-CG1 3.7Å; V10-I12 PolarHBondContact O-N 3.25Å; V10-F83 CarbonylContact C-O 3.59Å; V10-F83 WeakPolarHBondContact CA-O 3.33Å; V10-F83 HydrophobicContact CG1-CD1 4Å; V10-V85 HydrophobicContact CG1-CG1 3.73Å; V10-L98 HydrophobicContact CG1-CD2 4.26Å; V10-I101 HydrophobicContact CG1-CD1 4.46Å; V10-I101 HydrophobicContact CG2-CD1 4Å; V10-Y113 PolarHBondContact N-O 3.26Å; V10-F114 HydrophobicContact CB-CD1 3.65Å; V10-F114 HydrophobicContact CB-CE1 3.91Å; V10-F114 HydrophobicContact CG2-CD1 3.72Å; V10-F114 HydrophobicContact CG2-CE1 3.53Å; V10-V115 PolarHBondContact O-N 2.88Å
11L98.4Very high82.8Confident0 Ų037.9 Ų37.90%021%0.209CC..EExtended strand (participates in β ladder)trans-79.9110.6168.6-52.9-175000108.7I9 K19 V22 L26 I82 F83 T84 V85 V115 I192I9-L11 HydrophobicContact CG2-CD2 3.93Å; L11-K19 HydrophobicContact CB-CB 4.19Å; L11-K19 HydrophobicContact CB-CD 4.43Å; L11-K19 HydrophobicContact CB-CG 4.19Å; L11-K19 VanDerWaalsContact CD1-O 3.26Å; L11-K19 WeakPolarHBondContact CD1-O 3.15Å; L11-K19 WeakPolarHBondContact O-CD 3.5Å; L11-V22 HydrophobicContact CD1-CB 4.33Å; L11-V22 HydrophobicContact CD1-CG1 4.16Å; L11-L26 HydrophobicContact CD1-CD1 4.4Å; L11-L26 HydrophobicContact CD2-CD1 4.17Å; L11-I82 HydrophobicContact CD1-CG2 4.04Å; L11-I82 HydrophobicContact CG-CG2 4.19Å; L11-F83 PolarHBondContact N-O 3.17Å; L11-T84 HydrophobicContact CB-CG2 4.15Å; L11-T84 HydrophobicContact CD1-CG2 4.18Å; L11-T84 WeakPolarHBondContact O-CA 3.48Å; L11-V85 PolarHBondContact O-N 3.41Å; L11-V85 VanDerWaalsContact O-N 3.1Å; L11-V115 CarbonylContact C-O 3.48Å; L11-V115 WeakPolarHBondContact CA-O 3.26Å; L11-V115 HydrophobicContact CD2-CB 3.73Å; L11-V115 HydrophobicContact CD2-CG1 4.16Å; L11-V115 HydrophobicContact CD2-CG2 4.18Å; L11-I192 HydrophobicContact CD2-CD1 4.3Å
12I98.1Very high85.9Confident3 Ų327.5 Ų27.52%0.01516%0.158CC..EExtended strand (participates in β ladder)trans-105.6155.6-180-57.2169.2000109V10 V85 I87 F89 L98 F114 V115 L117V10-I12 HydrophobicContact CB-CG1 4.38Å; V10-I12 HydrophobicContact CG1-CD1 4.2Å; V10-I12 HydrophobicContact CG1-CG1 3.7Å; V10-I12 PolarHBondContact O-N 3.25Å; I12-V85 HydrophobicContact CG1-CG1 4.23Å; I12-I87 HydrophobicContact CG1-CG1 4.37Å; I12-I87 HydrophobicContact CG2-CB 3.74Å; I12-I87 HydrophobicContact CG2-CG1 3.65Å; I12-F89 HydrophobicContact CG2-CZ 4.4Å; I12-L98 HydrophobicContact CD1-CD1 3.86Å; I12-L98 HydrophobicContact CD1-CD2 3.86Å; I12-L98 HydrophobicContact CG1-CD2 4.44Å; I12-F114 HydrophobicContact CD1-CB 4.11Å; I12-F114 HydrophobicContact CD1-CD1 4.38Å; I12-F114 HydrophobicContact CD1-CD2 4.09Å; I12-F114 HydrophobicContact CD1-CG 3.94Å; I12-V115 PolarHBondContact N-O 3.36Å; I12-L117 PolarHBondContact O-N 3.29Å
13G97.6Very high88.8Confident0 Ų021.5 Ų21.50%013%0.126CC..EExtended strand (participates in β ladder)trans146.3-179.8168.100000111.8K19G13-K19 PolarHBondContact O-NZ 2.87Å
14S97.2Very high91.4Very high0 Ų020.3 Ų20.30%011%0.112CC..SBendtrans-70172-174.263.70000114.3A16 V17 K19 R124S14-A16 PolarHBondContact O-N 3.02Å; S14-V17 WeakPolarHBondContact O-CB 3.42Å; S14-V17 VanDerWaalsContact O-CG1 3.22Å; S14-V17 WeakPolarHBondContact O-CG1 3.34Å; S14-V17 PolarHBondContact O-N 3.44Å; S14-K19 PolarHBondContact O-NZ 3.33Å; S14-R124 WeakPolarHBondContact OG-CD 3.31Å; S14-R124 PolarHBondContact OG-NE 2.83Å; S14-R124 PolarHBondContact OG-NH1 2.92Å
15Q95.3Very high93.7Very high48 Ų4819.4 Ų19.422%0.22410%0.102CC..THydrogen-bonded Turntrans-63.4138.2177.4-56.983-2.700110.7V17 V86 R124 I150 S153Q15-V17 PolarHBondContact O-N 3.27Å; Q15-V86 HydrophobicContact CG-CG2 4.39Å; Q15-R124 PolarHBondContact O-NE 3.18Å; Q15-I150 HydrophobicContact CB-CD1 4.5Å; Q15-I150 HydrophobicContact CB-CG1 3.89Å; Q15-S153 PolarHBondContact OE1-OG 2.85Å
16A95.8Very high95.4Very high7 Ų715.2 Ų15.26%0.0588%0.08CC..THydrogen-bonded Turntrans6220.1-179.500000115.4S14 G18 R124 R127 N128 I150S14-A16 PolarHBondContact O-N 3.02Å; A16-G18 VanDerWaalsContact C-N 3.28Å; A16-G18 PolarHBondContact O-N 3.2Å; A16-R124 HydrophobicContact CB-CB 4.24Å; A16-R124 WeakPolarHBondContact CB-O 3.39Å; A16-R127 HydrophobicContact CB-CB 4.33Å; A16-R127 WeakPolarHBondContact O-CD 3.35Å; A16-N128 HydrophobicContact CB-CB 4.18Å; A16-I150 HydrophobicContact CB-CD1 4.02Å
17V97.5Very high96.5Very high0 Ų016.4 Ų16.40%09%0.085CC..SBendtrans-75.2-13176.580.90000114.2S14 Q15 K19 L117 A119 R127 N180S14-V17 WeakPolarHBondContact O-CB 3.42Å; S14-V17 VanDerWaalsContact O-CG1 3.22Å; S14-V17 WeakPolarHBondContact O-CG1 3.34Å; S14-V17 PolarHBondContact O-N 3.44Å; Q15-V17 PolarHBondContact O-N 3.27Å; V17-K19 HydrophobicContact CG1-CD 4.49Å; V17-K19 HydrophobicContact CG1-CG 3.73Å; V17-L117 HydrophobicContact CG1-CB 3.82Å; V17-L117 HydrophobicContact CG2-CB 4.05Å; V17-L117 VanDerWaalsContact CG2-O 3.23Å; V17-L117 WeakPolarHBondContact CG2-O 3.25Å; V17-A119 HydrophobicContact CG2-CB 3.66Å; V17-A119 VanDerWaalsContact CG2-N 3.34Å; V17-R127 PolarHBondContact O-NH1 2.82Å; V17-N180 PolarHBondContact O-ND2 3.12Å; V17-N180 PolarHBondContact O-OD1 2.91Å; V17-N180 VanDerWaalsContact O-OD1 3.13Å
18G97.1Very high96.8Very high13 Ų1323.2 Ų23.213%0.13411%0.114CC..SBendtrans111.52.7176.200000115.8A16 M20 T21 V22A16-G18 VanDerWaalsContact C-N 3.28Å; A16-G18 PolarHBondContact O-N 3.2Å; G18-M20 VanDerWaalsContact C-N 3.29Å; G18-M20 PolarHBondContact O-N 2.94Å; G18-M20 VanDerWaalsContact O-N 3.14Å; G18-T21 PolarHBondContact O-N 3.1Å; G18-V22 PolarHBondContact O-N 3.25Å
19K97.8Very high96.6Very high15 Ų1527.2 Ų27.27%0.06513%0.132CC..Hα-helixtrans-45.3-47.1179.6-61.3-174.3-71.4-82.60114.8L11 G13 S14 V17 G23 T84 V85 L117L11-K19 HydrophobicContact CB-CB 4.19Å; L11-K19 HydrophobicContact CB-CD 4.43Å; L11-K19 HydrophobicContact CB-CG 4.19Å; L11-K19 VanDerWaalsContact CD1-O 3.26Å; L11-K19 WeakPolarHBondContact CD1-O 3.15Å; L11-K19 WeakPolarHBondContact O-CD 3.5Å; G13-K19 PolarHBondContact O-NZ 2.87Å; S14-K19 PolarHBondContact O-NZ 3.33Å; V17-K19 HydrophobicContact CG1-CD 4.49Å; V17-K19 HydrophobicContact CG1-CG 3.73Å; K19-G23 PolarHBondContact O-N 3.12Å; K19-T84 HydrophobicContact CB-CG2 3.95Å; K19-V85 VanDerWaalsContact CD-O 3.26Å; K19-V85 WeakPolarHBondContact CD-O 3.1Å; K19-V85 WeakPolarHBondContact CE-O 3.4Å; K19-V85 PolarHBondContact NZ-O 2.97Å; K19-L117 HydrophobicContact CG-CD1 4.23Å
20M95.6Very high96.3Very high16 Ų1629 Ų298%0.07914%0.141CC..Hα-helixtrans-66-42.1-179.8-175-175.28100111.8G18 G23 K24 L34 A136G18-M20 VanDerWaalsContact C-N 3.29Å; G18-M20 PolarHBondContact O-N 2.94Å; G18-M20 VanDerWaalsContact O-N 3.14Å; M20-G23 PolarHBondContact O-N 3.46Å; M20-K24 WeakPolarHBondContact O-CB 3.43Å; M20-K24 WeakPolarHBondContact O-CG 3.33Å; M20-K24 PolarHBondContact O-N 2.82Å; M20-L34 HydrophobicContact CG-CD2 4.49Å; M20-A136 HydrophobicContact CE-CB 3.86Å; M20-A136 HydrophobicContact SD-CB 3.57Å; M20-A136 VanDerWaalsContact SD-CB 3.57Å
21T96.3Very high96.1Very high53 Ų5332.9 Ų32.933%0.32516%0.162SC..Hα-helixtrans-68.5-44-178.8-49.30000110.9G18 K24 E25 P185G18-T21 PolarHBondContact O-N 3.1Å; T21-K24 PolarHBondContact O-N 3Å; T21-E25 PolarHBondContact O-N 3.42Å; T21-E25 VanDerWaalsContact O-N 3.17Å; T21-P185 HydrophobicContact CG2-CB 3.88Å; T21-P185 HydrophobicContact CG2-CG 3.36Å
22V97.4Very high95.9Very high2 Ų233.2 Ų33.21%0.01217%0.165CC..Hα-helixtrans-64.7-44.2174.4174.20000110.7L11 G18 K24 E25 L26 L117 V188 C189 I192L11-V22 HydrophobicContact CD1-CB 4.33Å; L11-V22 HydrophobicContact CD1-CG1 4.16Å; G18-V22 PolarHBondContact O-N 3.25Å; V22-K24 PolarHBondContact O-N 2.89Å; V22-E25 CarbonylContact O-C 3.57Å; V22-E25 PolarHBondContact O-N 3.34Å; V22-E25 VanDerWaalsContact O-N 3.07Å; V22-L26 HydrophobicContact CG1-CD1 4.42Å; V22-L26 PolarHBondContact O-N 3.26Å; V22-L117 HydrophobicContact CB-CD1 4.12Å; V22-L117 HydrophobicContact CG1-CD1 4.43Å; V22-L117 HydrophobicContact CG2-CD1 3.86Å; V22-V188 HydrophobicContact CB-CG1 4.5Å; V22-V188 HydrophobicContact CG1-CB 4.48Å; V22-V188 HydrophobicContact CG1-CG1 3.8Å; V22-V188 HydrophobicContact CG2-CB 4.09Å; V22-V188 HydrophobicContact CG2-CG1 3.81Å; V22-V188 HydrophobicContact CG2-CG2 4.5Å; V22-C189 PolarHBondContact O-SG 3.19Å; V22-C189 VanDerWaalsContact O-SG 3.38Å; V22-I192 HydrophobicContact CG1-CD1 3.68Å
23G96.8Very high95.9Very high0 Ų038.8 Ų38.80%019%0.189CC..Hα-helixtrans-61.2-4017800000113.6K19 M20 E25 L26 E27K19-G23 PolarHBondContact O-N 3.12Å; M20-G23 PolarHBondContact O-N 3.46Å; G23-E25 VanDerWaalsContact C-N 3.28Å; G23-E25 PolarHBondContact O-N 3.01Å; G23-L26 PolarHBondContact O-N 3.21Å; G23-E27 WeakPolarHBondContact O-CB 3.19Å; G23-E27 PolarHBondContact O-N 2.77Å
24K96.5Very high95.9Very high85 Ų8539.2 Ų39.237%0.3719%0.192SC..Hα-helixtrans-65-33.5173.4-78.8-175.1174-169.90112.6M20 T21 V22 K28 L34M20-K24 WeakPolarHBondContact O-CB 3.43Å; M20-K24 WeakPolarHBondContact O-CG 3.33Å; M20-K24 PolarHBondContact O-N 2.82Å; T21-K24 PolarHBondContact O-N 3Å; V22-K24 PolarHBondContact O-N 2.89Å; K24-K28 WeakPolarHBondContact O-CG 3.34Å; K24-L34 HydrophobicContact CG-CD2 3.76Å
25E96.7Very high95.9Very high35 Ų3540.2 Ų40.216%0.16420%0.197CC..Hα-helixtrans-78.7-29.5179.5-170.764.1-160.800111.8T21 V22 G23 K28 Q29 P185 K186 C189T21-E25 PolarHBondContact O-N 3.42Å; T21-E25 VanDerWaalsContact O-N 3.17Å; V22-E25 CarbonylContact O-C 3.57Å; V22-E25 PolarHBondContact O-N 3.34Å; V22-E25 VanDerWaalsContact O-N 3.07Å; G23-E25 VanDerWaalsContact C-N 3.28Å; G23-E25 PolarHBondContact O-N 3.01Å; E25-K28 IonicContact OE2-NZ 2.76Å; E25-K28 PolarHBondContact OE2-NZ 2.89Å; E25-Q29 PolarHBondContact O-NE2 3.5Å; E25-P185 HydrophobicContact CB-CB 4.35Å; E25-P185 HydrophobicContact CG-CB 4.47Å; E25-K186 HydrophobicContact CG-CB 4.45Å; E25-C189 WeakPolarHBondContact CB-SG 3.31Å; E25-C189 HydrophobicContact CG-CB 4.22Å; E25-C189 VanDerWaalsContact CG-SG 3.54Å
26L95.4Very high95.6Very high0 Ų039.9 Ų39.90%020%0.195CC..Hα-helixtrans-66-46.5167.2-74.4174.5000111.5I9 L11 V22 G23 K28 Q29 I30 I82 C189 I192 I193I9-L26 HydrophobicContact CG2-CD1 4.42Å; L11-L26 HydrophobicContact CD1-CD1 4.4Å; L11-L26 HydrophobicContact CD2-CD1 4.17Å; V22-L26 HydrophobicContact CG1-CD1 4.42Å; V22-L26 PolarHBondContact O-N 3.26Å; G23-L26 PolarHBondContact O-N 3.21Å; L26-K28 PolarHBondContact O-N 3.19Å; L26-Q29 PolarHBondContact O-N 3.27Å; L26-I30 WeakPolarHBondContact O-CG1 3.33Å; L26-I30 PolarHBondContact O-N 3.04Å; L26-I82 HydrophobicContact CB-CD1 3.74Å; L26-I82 HydrophobicContact CD1-CG2 4.2Å; L26-C189 HydrophobicContact CD2-CB 4.06Å; L26-I192 HydrophobicContact CD1-CD1 4.04Å; L26-I192 HydrophobicContact CD1-CG2 4.36Å; L26-I192 HydrophobicContact CD2-CB 4.25Å; L26-I192 HydrophobicContact CD2-CD1 4.43Å; L26-I192 HydrophobicContact CD2-CG2 4.04Å; L26-I193 HydrophobicContact CD2-CD1 4.36Å; L26-I193 HydrophobicContact CD2-CG1 4.13Å
27E95.1Very high95.1Very high58 Ų5840.9 Ų40.927%0.27120%0.199SC..THydrogen-bonded Turntrans-56.7-20178.6178.6171.6-130.900113.3G23 G32 K33 L34 I82G23-E27 WeakPolarHBondContact O-CB 3.19Å; G23-E27 PolarHBondContact O-N 2.77Å; E27-G32 WeakPolarHBondContact CG-O 3.49Å; E27-K33 VanDerWaalsContact OE1-CD 3.23Å; E27-K33 WeakPolarHBondContact OE1-CD 3.31Å; E27-K33 VanDerWaalsContact OE1-CE 3.23Å; E27-K33 WeakPolarHBondContact OE1-CE 3.42Å; E27-K33 IonicContact OE1-NZ 3.96Å; E27-K33 PolarHBondContact OE1-NZ 3.3Å; E27-L34 PolarHBondContact OE1-N 2.83Å; E27-I82 HydrophobicContact CB-CD1 4.26Å
28K95.3Very high94.7Very high150 Ų15042 Ų4265%0.65220%0.204SC*.THydrogen-bonded Turntrans-84.1-18.8173.7-64.7172.5-167167.70114.3K24 E25 L26K24-K28 WeakPolarHBondContact O-CG 3.34Å; E25-K28 IonicContact OE2-NZ 2.76Å; E25-K28 PolarHBondContact OE2-NZ 2.89Å; L26-K28 PolarHBondContact O-N 3.19Å
29Q92.7Very high94.3Very high83 Ų8345.6 Ų45.639%0.38822%0.218SC..THydrogen-bonded Turntrans-115.3-19.9-167.7-69.8179.985.800113.1E25 L26 I193E25-Q29 PolarHBondContact O-NE2 3.5Å; L26-Q29 PolarHBondContact O-N 3.27Å; Q29-I193 HydrophobicContact CB-CD1 3.74Å; Q29-I193 HydrophobicContact CG-CD1 4.46Å
30I92.5Very high94.1Very high40 Ų4045.6 Ų45.621%0.20522%0.219CC..SBendtrans-127158.3176.568.4171.2000110.3I9 L26 G32 T80 I82 I193I9-I30 HydrophobicContact CD1-CD1 3.65Å; L26-I30 WeakPolarHBondContact O-CG1 3.33Å; L26-I30 PolarHBondContact O-N 3.04Å; I30-G32 PolarHBondContact O-N 2.94Å; I30-T80 HydrophobicContact CD1-CG2 4.16Å; I30-I82 HydrophobicContact CD1-CD1 4.08Å; I30-I82 HydrophobicContact CD1-CG1 4.28Å; I30-I82 HydrophobicContact CG1-CD1 4.29Å; I30-I193 HydrophobicContact CG2-CD1 4.32Å; I30-I193 HydrophobicContact CG2-CG1 4.28Å
31D93.6Very high94Very high83 Ų8345 Ų4544%0.44422%0.216SC..SBendtrans-73.777.6167-1771.1000109.4T78 K79 T80D31-T78 PolarHBondContact O-OG1 2.96Å; D31-T78 VanDerWaalsContact OD1-CA 3.24Å; D31-T78 WeakPolarHBondContact OD1-CA 3.49Å; D31-T78 WeakPolarHBondContact OD1-CB 3.28Å; D31-T78 PolarHBondContact OD1-OG1 3.31Å; D31-K79 HydrophobicContact CB-CB 4.44Å; D31-K79 PolarHBondContact O-N 3.39Å; D31-K79 PolarHBondContact OD1-N 2.88Å; D31-K79 WeakPolarHBondContact OD2-CG 3.48Å; D31-T80 WeakPolarHBondContact O-CB 3.34Å; D31-T80 PolarHBondContact O-N 2.5Å
32G94.9Very high93.8Very high6 Ų644 Ų446%0.06221%0.209CC..EExtended strand (participates in β ladder)trans-143.2153.4178.500000112.4E27 I30 T78 T80E27-G32 WeakPolarHBondContact CG-O 3.49Å; I30-G32 PolarHBondContact O-N 2.94Å; G32-T78 WeakPolarHBondContact CA-OG1 3.31Å; G32-T78 PolarHBondContact N-OG1 3.05Å; G32-T78 VanDerWaalsContact N-OG1 3.16Å; G32-T80 CarbonylContact C-O 3.58Å; G32-T80 WeakPolarHBondContact CA-O 3.33Å
33K97.2Very high93.6Very high120 Ų12048.6 Ų48.652%0.52223%0.233SC..EExtended strand (participates in β ladder)trans-113.6131.3175.9-163.779.8-165.2145.40111.3E27 L35 T78 T80 I82E27-K33 VanDerWaalsContact OE1-CD 3.23Å; E27-K33 WeakPolarHBondContact OE1-CD 3.31Å; E27-K33 VanDerWaalsContact OE1-CE 3.23Å; E27-K33 WeakPolarHBondContact OE1-CE 3.42Å; E27-K33 IonicContact OE1-NZ 3.96Å; E27-K33 PolarHBondContact OE1-NZ 3.3Å; K33-L35 PolarHBondContact O-N 3.01Å; K33-T78 HydrophobicContact CB-CG2 3.72Å; K33-T80 PolarHBondContact N-O 2.81Å; K33-I82 PolarHBondContact O-N 3.26Å
34L97Very high93.5Very high10 Ų1050.4 Ų50.45%0.05224%0.241CC..EExtended strand (participates in β ladder)trans-77.1120.5176.5-178.465.2000111.6M20 K24 E27 F36 I82 T84M20-L34 HydrophobicContact CG-CD2 4.49Å; K24-L34 HydrophobicContact CG-CD2 3.76Å; E27-L34 PolarHBondContact OE1-N 2.83Å; L34-F36 HydrophobicContact CD2-CD1 4.3Å; L34-F36 HydrophobicContact CG-CD1 4.38Å; L34-I82 CarbonylContact C-O 3.45Å; L34-I82 WeakPolarHBondContact CA-O 3.44Å; L34-I82 HydrophobicContact CD1-CB 4.23Å; L34-I82 HydrophobicContact CD1-CG2 3.83Å; L34-I82 WeakPolarHBondContact CD1-O 3.37Å; L34-T84 HydrophobicContact CD1-CG2 3.67Å
35L96.7Very high93.4Very high21 Ų2147 Ų4711%0.1123%0.228CC..EExtended strand (participates in β ladder)trans-109.2101.7165.9-178.965.4000109.2K33 Q39 R62 L65 F66 I81 I82 F83 T84K33-L35 PolarHBondContact O-N 3.01Å; L35-Q39 HydrophobicContact CD1-CB 4.18Å; L35-R62 HydrophobicContact CD2-CG 4.36Å; L35-L65 HydrophobicContact CD2-CD2 3.84Å; L35-F66 HydrophobicContact CD2-CE1 3.69Å; L35-F66 HydrophobicContact CD2-CZ 4.03Å; L35-I81 HydrophobicContact CB-CG2 4.47Å; L35-I82 PolarHBondContact N-O 3.37Å; L35-F83 HydrophobicContact CB-CD2 4.19Å; L35-F83 HydrophobicContact CD2-CD2 3.88Å; L35-F83 HydrophobicContact CD2-CE2 4.32Å; L35-F83 HydrophobicContact CG-CD2 3.95Å; L35-F83 HydrophobicContact CG-CE2 4.4Å; L35-F83 WeakPolarHBondContact O-CA 3.46Å; L35-F83 VanDerWaalsContact O-CD2 3.25Å; L35-F83 WeakPolarHBondContact O-CD2 3.35Å; L35-T84 PolarHBondContact O-N 3.11Å
36F89.2Confident93.2Very high40 Ų4051.8 Ų51.818%0.17526%0.255CS..EExtended strand (participates in β ladder)trans-83.7140.2173.148.8-92.5000111L34 H38 Q39 T84L34-F36 HydrophobicContact CD2-CD1 4.3Å; L34-F36 HydrophobicContact CG-CD1 4.38Å; F36-H38 HydrophobicContact CD2-CB 3.9Å; F36-H38 HydrophobicContact CE2-CB 4.35Å; F36-H38 PolarHBondContact O-N 3.31Å; F36-Q39 HydrophobicContact CD1-CG 4.34Å; F36-Q39 HydrophobicContact CD2-CB 4.1Å; F36-Q39 HydrophobicContact CD2-CG 3.87Å; F36-Q39 VanDerWaalsContact CD2-N 3.35Å; F36-Q39 HydrophobicContact CE1-CG 3.89Å; F36-Q39 VanDerWaalsContact CE1-OE1 3.24Å; F36-Q39 HydrophobicContact CE2-CB 4.02Å; F36-Q39 HydrophobicContact CE2-CG 3.42Å; F36-Q39 VanDerWaalsContact CE2-CG 3.42Å; F36-Q39 HydrophobicContact CG-CG 4.34Å; F36-Q39 HydrophobicContact CZ-CB 4.47Å; F36-Q39 VanDerWaalsContact CZ-CD 3.49Å; F36-Q39 HydrophobicContact CZ-CG 3.42Å; F36-Q39 VanDerWaalsContact CZ-CG 3.42Å; F36-Q39 WeakPolarHBondContact O-CB 3.36Å; F36-Q39 PolarHBondContact O-N 3.04Å; F36-T84 WeakPolarHBondContact CA-OG1 3.42Å
37N86.3Confident93.2Very high29 Ų2959.4 Ų59.416%0.15529%0.288CS..Hα-helixtrans-42.4-41.2178.2-163.269.1000113.6Q39 T40 L41 R62 T84N37-Q39 VanDerWaalsContact C-N 3.3Å; N37-Q39 PolarHBondContact O-N 3.41Å; N37-T40 PolarHBondContact O-OG1 3.05Å; N37-L41 WeakPolarHBondContact O-CB 3.37Å; N37-L41 PolarHBondContact O-N 2.91Å; N37-L41 VanDerWaalsContact O-N 3.12Å; N37-R62 PolarHBondContact O-NH2 2.87Å; N37-R62 PolarHBondContact OD1-NH1 2.83Å; N37-R62 VanDerWaalsContact OD1-NH1 3.13Å; N37-R62 PolarHBondContact OD1-NH2 3.16Å; N37-T84 WeakPolarHBondContact CB-O 3.23Å; N37-T84 PolarHBondContact N-O 3.4Å; N37-T84 PolarHBondContact N-OG1 3.4Å
38H88.1Confident93.3Very high23 Ų2360.6 Ų60.611%0.10630%0.296CS..Hα-helixtrans-68.7-18.9-177.2-76.8-85.1000115F36 T40 D42 K137F36-H38 HydrophobicContact CD2-CB 3.9Å; F36-H38 HydrophobicContact CE2-CB 4.35Å; F36-H38 PolarHBondContact O-N 3.31Å; H38-T40 PolarHBondContact O-N 3.09Å; H38-D42 IonicContact CE1-OD1 2.75Å; H38-D42 IonicContact CG-OD1 3.44Å; H38-D42 IonicContact CG-OD2 3.55Å; H38-D42 IonicContact ND1-OD1 2.89Å; H38-D42 PolarHBondContact ND1-OD1 3.37Å; H38-D42 IonicContact ND1-OD2 3.25Å; H38-D42 WeakPolarHBondContact O-CB 3.43Å; H38-D42 PolarHBondContact O-N 3.35Å; H38-K137 HydrophobicContact CB-CG 4.48Å; H38-K137 PolarHBondContact CD2-NZ 2.84Å
39Q90.2Very high93.1Very high89 Ų8955.2 Ų55.242%0.41628%0.283SS..Hα-helixtrans-59.7-47.8175.5-103.4155.3-44.200111.8L35 F36 N37L35-Q39 HydrophobicContact CD1-CB 4.18Å; F36-Q39 HydrophobicContact CD1-CG 4.34Å; F36-Q39 HydrophobicContact CD2-CB 4.1Å; F36-Q39 HydrophobicContact CD2-CG 3.87Å; F36-Q39 VanDerWaalsContact CD2-N 3.35Å; F36-Q39 HydrophobicContact CE1-CG 3.89Å; F36-Q39 VanDerWaalsContact CE1-OE1 3.24Å; F36-Q39 HydrophobicContact CE2-CB 4.02Å; F36-Q39 HydrophobicContact CE2-CG 3.42Å; F36-Q39 VanDerWaalsContact CE2-CG 3.42Å; F36-Q39 HydrophobicContact CG-CG 4.34Å; F36-Q39 HydrophobicContact CZ-CB 4.47Å; F36-Q39 VanDerWaalsContact CZ-CD 3.49Å; F36-Q39 HydrophobicContact CZ-CG 3.42Å; F36-Q39 VanDerWaalsContact CZ-CG 3.42Å; F36-Q39 WeakPolarHBondContact O-CB 3.36Å; F36-Q39 PolarHBondContact O-N 3.04Å; N37-Q39 VanDerWaalsContact C-N 3.3Å; N37-Q39 PolarHBondContact O-N 3.41Å
40T92.7Very high93Very high14 Ų1456.1 Ų56.19%0.08628%0.283CS..Hα-helixtrans-86.4-34.7178.953.90000111.7N37 H38 F44 S58 T61 R62N37-T40 PolarHBondContact O-OG1 3.05Å; H38-T40 PolarHBondContact O-N 3.09Å; T40-F44 WeakPolarHBondContact O-CD2 3.41Å; T40-F44 PolarHBondContact O-N 2.86Å; T40-S58 VanDerWaalsContact C-OG 3.23Å; T40-S58 WeakPolarHBondContact CB-OG 3.46Å; T40-S58 PolarHBondContact OG1-OG 2.87Å; T40-T61 HydrophobicContact CG2-CG2 4.18Å; T40-R62 HydrophobicContact CG2-CG 4.28Å; T40-R62 PolarHBondContact OG1-NE 3.09Å; T40-R62 PolarHBondContact OG1-NH2 3.37Å
41L93Very high93.1Very high4 Ų456.1 Ų56.12%0.02129%0.287CS..Hα-helixtrans-71.6-41.6-177.1-17763.3000112N37 L43 F44 A45 Y50 A54 F55 S58N37-L41 WeakPolarHBondContact O-CB 3.37Å; N37-L41 PolarHBondContact O-N 2.91Å; N37-L41 VanDerWaalsContact O-N 3.12Å; L41-L43 VanDerWaalsContact C-N 3.29Å; L41-L43 PolarHBondContact O-N 3.41Å; L41-F44 PolarHBondContact O-N 3.38Å; L41-A45 VanDerWaalsContact O-CB 3.23Å; L41-A45 WeakPolarHBondContact O-CB 3.25Å; L41-A45 PolarHBondContact O-N 2.99Å; L41-Y50 HydrophobicContact CD1-CD1 4.35Å; L41-Y50 HydrophobicContact CD2-CD1 3.88Å; L41-Y50 HydrophobicContact CD2-CE1 3.72Å; L41-Y50 HydrophobicContact CG-CD1 3.95Å; L41-Y50 HydrophobicContact CG-CE1 3.74Å; L41-A54 HydrophobicContact CD1-CB 4.48Å; L41-F55 HydrophobicContact CD1-CD1 3.8Å; L41-F55 HydrophobicContact CD1-CE1 3.98Å; L41-F55 HydrophobicContact CD1-CG 4.08Å; L41-F55 HydrophobicContact CD1-CZ 4.38Å; L41-F55 HydrophobicContact CD2-CD1 4.15Å; L41-F55 HydrophobicContact CD2-CE1 3.59Å; L41-F55 HydrophobicContact CD2-CZ 4.06Å; L41-F55 HydrophobicContact CG-CE1 4.45Å; L41-S58 VanDerWaalsContact CA-OG 3.27Å; L41-S58 WeakPolarHBondContact CA-OG 3.25Å; L41-S58 PolarHBondContact N-OG 3.02Å
42D91.7Very high93.2Very high32 Ų3260.7 Ų60.717%0.17130%0.303CS..Hα-helixtrans-69.8-31.8-178.1-63.8-4000110.8H38 A45 D46 Y50H38-D42 IonicContact CE1-OD1 2.75Å; H38-D42 IonicContact CG-OD1 3.44Å; H38-D42 IonicContact CG-OD2 3.55Å; H38-D42 IonicContact ND1-OD1 2.89Å; H38-D42 PolarHBondContact ND1-OD1 3.37Å; H38-D42 IonicContact ND1-OD2 3.25Å; H38-D42 WeakPolarHBondContact O-CB 3.43Å; H38-D42 PolarHBondContact O-N 3.35Å; D42-A45 PolarHBondContact O-N 3.28Å; D42-D46 PolarHBondContact O-N 3.15Å; D42-Y50 PolarHBondContact OD1-OH 3.06Å
43L93.4Very high93.3Very high99 Ų9965.1 Ų65.152%0.51833%0.325SS..Hα-helixtrans-54.9-54.3171.117363.9000111.3L41 F47L41-L43 VanDerWaalsContact C-N 3.29Å; L41-L43 PolarHBondContact O-N 3.41Å; L43-F47 HydrophobicContact CD1-CE2 4.31Å; L43-F47 VanDerWaalsContact O-CD2 3.24Å; L43-F47 WeakPolarHBondContact O-CD2 3.27Å
44F95.8Very high93.3Very high38 Ų3859.4 Ų59.417%0.16730%0.301CS..Hα-helixtrans-71.8-34.8-179.5-63.2-60.4000112.4T40 L41 D46 F47 L48 A54 L57 T61T40-F44 WeakPolarHBondContact O-CD2 3.41Å; T40-F44 PolarHBondContact O-N 2.86Å; L41-F44 PolarHBondContact O-N 3.38Å; F44-D46 PolarHBondContact O-N 3.42Å; F44-F47 PolarHBondContact O-N 3.01Å; F44-F47 VanDerWaalsContact O-N 3.16Å; F44-L48 WeakPolarHBondContact O-CB 3.35Å; F44-L48 PolarHBondContact O-N 3.07Å; F44-A54 HydrophobicContact CB-CB 3.9Å; F44-L57 HydrophobicContact CD1-CB 3.94Å; F44-L57 HydrophobicContact CD1-CD1 3.88Å; F44-L57 HydrophobicContact CD2-CB 3.79Å; F44-L57 HydrophobicContact CE1-CB 3.98Å; F44-L57 HydrophobicContact CE1-CD1 4.23Å; F44-L57 HydrophobicContact CE2-CB 3.83Å; F44-L57 HydrophobicContact CG-CB 3.86Å; F44-L57 HydrophobicContact CG-CD1 4.34Å; F44-L57 HydrophobicContact CZ-CB 3.93Å; F44-T61 WeakPolarHBondContact CZ-OG1 3.49Å
45A93.2Very high93.2Very high13 Ų1363.2 Ų63.211%0.10732%0.317CS..Hα-helixtrans-67.2-24.8179.800000113.3L41 D42 F47 G49 Y50L41-A45 VanDerWaalsContact O-CB 3.23Å; L41-A45 WeakPolarHBondContact O-CB 3.25Å; L41-A45 PolarHBondContact O-N 2.99Å; D42-A45 PolarHBondContact O-N 3.28Å; A45-F47 PolarHBondContact O-N 2.93Å; A45-G49 VanDerWaalsContact CA-O 3.31Å; A45-G49 WeakPolarHBondContact CA-O 3.32Å; A45-G49 WeakPolarHBondContact O-CA 3.48Å; A45-G49 PolarHBondContact O-N 3.37Å; A45-Y50 HydrophobicContact CB-CD1 3.84Å; A45-Y50 HydrophobicContact CB-CD2 4.13Å; A45-Y50 HydrophobicContact CB-CE1 3.77Å; A45-Y50 HydrophobicContact CB-CE2 4.07Å; A45-Y50 HydrophobicContact CB-CG 4.01Å
46D92.6Very high93.2Very high135 Ų13564.9 Ų64.972%0.72233%0.326SS*.Hα-helixtrans-63.6-27.5174.2-155.439.8000112.3D42 F44D42-D46 PolarHBondContact O-N 3.15Å; F44-D46 PolarHBondContact O-N 3.42Å
47F96.1Very high93.6Very high160 Ų16065.9 Ų65.970%0.70233%0.332SS*.Hα-helixtrans-103.2-34.5179.1-60.2-83.7000113.6L43 F44 A45L43-F47 HydrophobicContact CD1-CE2 4.31Å; L43-F47 VanDerWaalsContact O-CD2 3.24Å; L43-F47 WeakPolarHBondContact O-CD2 3.27Å; F44-F47 PolarHBondContact O-N 3.01Å; F44-F47 VanDerWaalsContact O-N 3.16Å; A45-F47 PolarHBondContact O-N 2.93Å
48L96.4Very high94.1Very high84 Ų8464.5 Ų64.544%0.4433%0.325SS..Hα-helixtrans-116.12-169.5-57.5176.9000113.4F44 S51 D53 A54 L57F44-L48 WeakPolarHBondContact O-CB 3.35Å; F44-L48 PolarHBondContact O-N 3.07Å; L48-S51 VanDerWaalsContact O-CB 3.3Å; L48-S51 WeakPolarHBondContact O-CB 3.35Å; L48-S51 PolarHBondContact O-OG 3.38Å; L48-D53 HydrophobicContact CD1-CB 4.42Å; L48-A54 HydrophobicContact CB-CB 4.29Å; L48-L57 HydrophobicContact CD1-CD1 3.61Å
49G92.7Very high94.5Very high36 Ų3664 Ų6437%0.37132%0.323SS..  trans62.9179.4-164.700000112.3A45 S51 A54A45-G49 VanDerWaalsContact CA-O 3.31Å; A45-G49 WeakPolarHBondContact CA-O 3.32Å; A45-G49 WeakPolarHBondContact O-CA 3.48Å; A45-G49 PolarHBondContact O-N 3.37Å; G49-S51 PolarHBondContact O-N 2.83Å; G49-A54 WeakPolarHBondContact O-CB 3.42Å
50Y90.7Very high94.9Very high102 Ų10266.7 Ų66.740%0.433%0.329SS..SBendtrans-74.657.3170.4-70-79.7000111.2L41 D42 A45 F55 S139L41-Y50 HydrophobicContact CD1-CD1 4.35Å; L41-Y50 HydrophobicContact CD2-CD1 3.88Å; L41-Y50 HydrophobicContact CD2-CE1 3.72Å; L41-Y50 HydrophobicContact CG-CD1 3.95Å; L41-Y50 HydrophobicContact CG-CE1 3.74Å; D42-Y50 PolarHBondContact OD1-OH 3.06Å; A45-Y50 HydrophobicContact CB-CD1 3.84Å; A45-Y50 HydrophobicContact CB-CD2 4.13Å; A45-Y50 HydrophobicContact CB-CE1 3.77Å; A45-Y50 HydrophobicContact CB-CE2 4.07Å; A45-Y50 HydrophobicContact CB-CG 4.01Å; Y50-F55 HydrophobicContact CD1-CZ 4.37Å; Y50-S139 WeakPolarHBondContact OH-CB 3.44Å; Y50-S139 PolarHBondContact OH-OG 3.1Å
51S94.6Very high95.1Very high40 Ų4068.8 Ų68.828%0.2834%0.342SS..  trans-90163.5179.861.60000111.5L48 G49 D53 A54 F55L48-S51 VanDerWaalsContact O-CB 3.3Å; L48-S51 WeakPolarHBondContact O-CB 3.35Å; L48-S51 PolarHBondContact O-OG 3.38Å; G49-S51 PolarHBondContact O-N 2.83Å; S51-D53 PolarHBondContact O-N 2.83Å; S51-A54 WeakPolarHBondContact O-CB 3.26Å; S51-A54 PolarHBondContact O-N 2.86Å; S51-A54 PolarHBondContact OG-N 2.78Å; S51-F55 WeakPolarHBondContact O-CD2 3.48Å; S51-F55 PolarHBondContact O-N 2.84Å; S51-F55 VanDerWaalsContact O-N 3.14Å
52K95.3Very high95.4Very high180 Ų18068.7 Ų68.778%0.78334%0.342SS*.Hα-helixtrans-51.9-39.5176.1-174.2-179.1178-176.80112.1F55 L56K52-F55 PolarHBondContact O-N 3.01Å; K52-L56 WeakPolarHBondContact O-CB 3.46Å; K52-L56 PolarHBondContact O-N 3.27Å
53D97.4Very high95.7Very high99 Ų9969.3 Ų69.353%0.52934%0.343SS..Hα-helixtrans-67.8-38.8179.3-65.3-25.4000112.1L48 S51 F55 L56 L57L48-D53 HydrophobicContact CD1-CB 4.42Å; S51-D53 PolarHBondContact O-N 2.83Å; D53-F55 VanDerWaalsContact C-N 3.35Å; D53-F55 PolarHBondContact O-N 3.49Å; D53-L56 PolarHBondContact O-N 2.83Å; D53-L57 WeakPolarHBondContact O-CB 3.28Å; D53-L57 VanDerWaalsContact O-CG 3.31Å; D53-L57 WeakPolarHBondContact O-CG 3.12Å; D53-L57 PolarHBondContact O-N 2.89Å
54A96.2Very high95.9Very high0 Ų069.7 Ų69.70%034%0.342CS..Hα-helixtrans-62.4-41.5174.200000112L41 F44 L48 G49 S51 S58L41-A54 HydrophobicContact CD1-CB 4.48Å; F44-A54 HydrophobicContact CB-CB 3.9Å; L48-A54 HydrophobicContact CB-CB 4.29Å; G49-A54 WeakPolarHBondContact O-CB 3.42Å; S51-A54 WeakPolarHBondContact O-CB 3.26Å; S51-A54 PolarHBondContact O-N 2.86Å; S51-A54 PolarHBondContact OG-N 2.78Å; A54-S58 VanDerWaalsContact O-CB 3.29Å; A54-S58 WeakPolarHBondContact O-CB 3.3Å; A54-S58 PolarHBondContact O-N 3.31Å
55F94.9Very high96Very high89 Ų8971.5 Ų71.539%0.3935%0.353SS..Hα-helixtrans-63.2-47.7174.6-75.6-81.9000111.7L41 Y50 S51 K52 D53 L57 S58 D59L41-F55 HydrophobicContact CD1-CD1 3.8Å; L41-F55 HydrophobicContact CD1-CE1 3.98Å; L41-F55 HydrophobicContact CD1-CG 4.08Å; L41-F55 HydrophobicContact CD1-CZ 4.38Å; L41-F55 HydrophobicContact CD2-CD1 4.15Å; L41-F55 HydrophobicContact CD2-CE1 3.59Å; L41-F55 HydrophobicContact CD2-CZ 4.06Å; L41-F55 HydrophobicContact CG-CE1 4.45Å; Y50-F55 HydrophobicContact CD1-CZ 4.37Å; S51-F55 WeakPolarHBondContact O-CD2 3.48Å; S51-F55 PolarHBondContact O-N 2.84Å; S51-F55 VanDerWaalsContact O-N 3.14Å; K52-F55 PolarHBondContact O-N 3.01Å; D53-F55 VanDerWaalsContact C-N 3.35Å; D53-F55 PolarHBondContact O-N 3.49Å; F55-L57 PolarHBondContact O-N 2.77Å; F55-S58 VanDerWaalsContact O-CB 3.26Å; F55-S58 WeakPolarHBondContact O-CB 3.41Å; F55-S58 PolarHBondContact O-N 2.88Å; F55-S58 VanDerWaalsContact O-N 3.16Å; F55-D59 PolarHBondContact O-N 3.21Å
56L96.3Very high96.2Very high57 Ų5770.9 Ų70.930%0.29835%0.348SS..Hα-helixtrans-62.9-43.1-180-178.360.9000112.5K52 D53 S58 D59 R60K52-L56 WeakPolarHBondContact O-CB 3.46Å; K52-L56 PolarHBondContact O-N 3.27Å; D53-L56 PolarHBondContact O-N 2.83Å; L56-S58 VanDerWaalsContact C-N 3.32Å; L56-D59 PolarHBondContact O-N 3.43Å; L56-R60 WeakPolarHBondContact O-CG 3.39Å; L56-R60 PolarHBondContact O-N 3.03Å
57L97.5Very high96.4Very high60 Ų6068.5 Ų68.531%0.31433%0.331SS..Hα-helixtrans-61.5-43.3173.9-75.8169.7000110.9F44 L48 D53 F55 D59 R60 T61F44-L57 HydrophobicContact CD1-CB 3.94Å; F44-L57 HydrophobicContact CD1-CD1 3.88Å; F44-L57 HydrophobicContact CD2-CB 3.79Å; F44-L57 HydrophobicContact CE1-CB 3.98Å; F44-L57 HydrophobicContact CE1-CD1 4.23Å; F44-L57 HydrophobicContact CE2-CB 3.83Å; F44-L57 HydrophobicContact CG-CB 3.86Å; F44-L57 HydrophobicContact CG-CD1 4.34Å; F44-L57 HydrophobicContact CZ-CB 3.93Å; L48-L57 HydrophobicContact CD1-CD1 3.61Å; D53-L57 WeakPolarHBondContact O-CB 3.28Å; D53-L57 VanDerWaalsContact O-CG 3.31Å; D53-L57 WeakPolarHBondContact O-CG 3.12Å; D53-L57 PolarHBondContact O-N 2.89Å; F55-L57 PolarHBondContact O-N 2.77Å; L57-D59 VanDerWaalsContact C-N 3.33Å; L57-D59 PolarHBondContact O-N 3.13Å; L57-R60 PolarHBondContact O-N 3.2Å; L57-T61 WeakPolarHBondContact O-CB 3.46Å; L57-T61 PolarHBondContact O-N 2.88Å; L57-T61 PolarHBondContact O-OG1 3.03Å; L57-T61 VanDerWaalsContact O-OG1 3.06Å
58S97.1Very high96.5Very high0 Ų063.5 Ų63.50%032%0.319CS..Hα-helixtrans-57.8-45176.9-144.50000112.7T40 L41 A54 F55 L56 R62T40-S58 VanDerWaalsContact C-OG 3.23Å; T40-S58 WeakPolarHBondContact CB-OG 3.46Å; T40-S58 PolarHBondContact OG1-OG 2.87Å; L41-S58 VanDerWaalsContact CA-OG 3.27Å; L41-S58 WeakPolarHBondContact CA-OG 3.25Å; L41-S58 PolarHBondContact N-OG 3.02Å; A54-S58 VanDerWaalsContact O-CB 3.29Å; A54-S58 WeakPolarHBondContact O-CB 3.3Å; A54-S58 PolarHBondContact O-N 3.31Å; F55-S58 VanDerWaalsContact O-CB 3.26Å; F55-S58 WeakPolarHBondContact O-CB 3.41Å; F55-S58 PolarHBondContact O-N 2.88Å; F55-S58 VanDerWaalsContact O-N 3.16Å; L56-S58 VanDerWaalsContact C-N 3.32Å; S58-R62 VanDerWaalsContact O-CG 3.28Å; S58-R62 WeakPolarHBondContact O-CG 3.5Å; S58-R62 PolarHBondContact O-N 3.37Å; S58-R62 VanDerWaalsContact O-N 3.09Å; S58-R62 VanDerWaalsContact OG-CZ 3.24Å; S58-R62 PolarHBondContact OG-NH2 3.15Å
59D97.3Very high96.5Very high12 Ų1260.2 Ų60.26%0.06430%0.302CS..Hα-helixtrans-69.9-42.1-179.2-67.9-19000111.6F55 L56 L57 R62 K63 Y93 F97F55-D59 PolarHBondContact O-N 3.21Å; L56-D59 PolarHBondContact O-N 3.43Å; L57-D59 VanDerWaalsContact C-N 3.33Å; L57-D59 PolarHBondContact O-N 3.13Å; D59-R62 PolarHBondContact O-N 2.66Å; D59-R62 IonicContact OD1-CZ 2.82Å; D59-R62 IonicContact OD1-NH1 2.88Å; D59-R62 PolarHBondContact OD1-NH1 2.87Å; D59-K63 WeakPolarHBondContact O-CG 3.3Å; D59-K63 PolarHBondContact O-N 3.31Å; D59-Y93 PolarHBondContact OD2-OH 2.93Å; D59-F97 HydrophobicContact CB-CD2 4.06Å; D59-F97 HydrophobicContact CB-CE2 3.89Å
60R97.4Very high96.6Very high147 Ų14759.7 Ų59.756%0.55529%0.291SS*.Hα-helixtrans-59.5-48.9173.8-73176.3-177172.2-0.1111.5L56 L57 R62 K63 E64L56-R60 WeakPolarHBondContact O-CG 3.39Å; L56-R60 PolarHBondContact O-N 3.03Å; L57-R60 PolarHBondContact O-N 3.2Å; R60-R62 VanDerWaalsContact C-N 3.31Å; R60-R62 PolarHBondContact O-N 3.38Å; R60-K63 PolarHBondContact O-N 2.7Å; R60-E64 WeakPolarHBondContact O-CG 3.37Å; R60-E64 PolarHBondContact O-N 3.37Å
61T98Very high96.8Very high58 Ų5860.8 Ų60.836%0.35630%0.304SS..Hα-helixtrans-58.8-41.2178.5-63.80000112.2T40 F44 L57 L65T40-T61 HydrophobicContact CG2-CG2 4.18Å; F44-T61 WeakPolarHBondContact CZ-OG1 3.49Å; L57-T61 WeakPolarHBondContact O-CB 3.46Å; L57-T61 PolarHBondContact O-N 2.88Å; L57-T61 PolarHBondContact O-OG1 3.03Å; L57-T61 VanDerWaalsContact O-OG1 3.06Å; T61-L65 WeakPolarHBondContact O-CB 3.5Å; T61-L65 PolarHBondContact O-N 3.15Å
62R97.8Very high96.6Very high2 Ų261.7 Ų61.71%0.00831%0.31CS..Hα-helixtrans-65.6-44.7176.4-69.4170.3-166.6128.64.6112L35 N37 T40 S58 D59 R60 E64 L65 F66 F83L35-R62 HydrophobicContact CD2-CG 4.36Å; N37-R62 PolarHBondContact O-NH2 2.87Å; N37-R62 PolarHBondContact OD1-NH1 2.83Å; N37-R62 VanDerWaalsContact OD1-NH1 3.13Å; N37-R62 PolarHBondContact OD1-NH2 3.16Å; T40-R62 HydrophobicContact CG2-CG 4.28Å; T40-R62 PolarHBondContact OG1-NE 3.09Å; T40-R62 PolarHBondContact OG1-NH2 3.37Å; S58-R62 VanDerWaalsContact O-CG 3.28Å; S58-R62 WeakPolarHBondContact O-CG 3.5Å; S58-R62 PolarHBondContact O-N 3.37Å; S58-R62 VanDerWaalsContact O-N 3.09Å; S58-R62 VanDerWaalsContact OG-CZ 3.24Å; S58-R62 PolarHBondContact OG-NH2 3.15Å; D59-R62 PolarHBondContact O-N 2.66Å; D59-R62 IonicContact OD1-CZ 2.82Å; D59-R62 IonicContact OD1-NH1 2.88Å; D59-R62 PolarHBondContact OD1-NH1 2.87Å; R60-R62 VanDerWaalsContact C-N 3.31Å; R60-R62 PolarHBondContact O-N 3.38Å; R62-E64 PolarHBondContact O-N 3.22Å; R62-L65 WeakPolarHBondContact O-CB 3.41Å; R62-L65 PolarHBondContact O-N 3.27Å; R62-F66 HydrophobicContact CB-CE2 4.4Å; R62-F66 HydrophobicContact CB-CZ 4.29Å; R62-F66 WeakPolarHBondContact O-CB 3.46Å; R62-F66 VanDerWaalsContact O-CD1 3.26Å; R62-F66 WeakPolarHBondContact O-CD1 3.28Å; R62-F66 WeakPolarHBondContact O-CG 3.36Å; R62-F66 PolarHBondContact O-N 3.4Å; R62-F83 HydrophobicContact CG-CE2 4.48Å
63K98.1Very high96.4Very high44 Ų4455.1 Ų55.119%0.19129%0.286CS..Hα-helixtrans-61.4-43.5177.6-70.2176.4-172.1-177.90111.4D59 R60 F66 K67 D100 I101 I104D59-K63 WeakPolarHBondContact O-CG 3.3Å; D59-K63 PolarHBondContact O-N 3.31Å; R60-K63 PolarHBondContact O-N 2.7Å; K63-F66 PolarHBondContact O-N 2.87Å; K63-K67 WeakPolarHBondContact O-CG 3.34Å; K63-K67 PolarHBondContact O-N 3.37Å; K63-D100 HydrophobicContact CD-CB 4.36Å; K63-D100 WeakPolarHBondContact CE-OD2 3.49Å; K63-D100 IonicContact NZ-OD2 3.86Å; K63-D100 PolarHBondContact NZ-OD2 3.44Å; K63-I101 HydrophobicContact CG-CG2 4.28Å; K63-I104 HydrophobicContact CB-CD1 4.15Å; K63-I104 HydrophobicContact CG-CD1 4.32Å
64E98.1Very high96.1Very high107 Ų10759 Ų5950%0.530%0.301SS..Hα-helixtrans-66.8-38.5176.4-66-49.912700112.5R60 R62 F66 K67 A68R60-E64 WeakPolarHBondContact O-CG 3.37Å; R60-E64 PolarHBondContact O-N 3.37Å; R62-E64 PolarHBondContact O-N 3.22Å; E64-F66 VanDerWaalsContact C-N 3.33Å; E64-F66 PolarHBondContact O-N 3.07Å; E64-K67 PolarHBondContact O-N 3.45Å; E64-K67 IonicContact OE1-NZ 2.66Å; E64-K67 PolarHBondContact OE1-NZ 3.17Å; E64-A68 WeakPolarHBondContact O-CB 3.44Å; E64-A68 PolarHBondContact O-N 2.86Å
65L97.4Very high95.9Very high77 Ų7764.1 Ų64.140%0.40333%0.332SS..Hα-helixtrans-59.6-44.5171173.562.9000111.5L35 T61 R62 A68 F69L35-L65 HydrophobicContact CD2-CD2 3.84Å; T61-L65 WeakPolarHBondContact O-CB 3.5Å; T61-L65 PolarHBondContact O-N 3.15Å; R62-L65 WeakPolarHBondContact O-CB 3.41Å; R62-L65 PolarHBondContact O-N 3.27Å; L65-A68 PolarHBondContact O-N 3.38Å; L65-F69 WeakPolarHBondContact O-CB 3.07Å; L65-F69 PolarHBondContact O-N 2.76Å
66F97.9Very high95.9Very high0 Ų061.9 Ų61.90%032%0.324CS..Hα-helixtrans-67.3-40.9-179.1-64.9-7.7000111.9L8 L35 R62 K63 E64 F69 V70 I81 F83 I101 I104 F105L8-F66 HydrophobicContact CD1-CE2 4.49Å; L8-F66 HydrophobicContact CD1-CZ 4.44Å; L35-F66 HydrophobicContact CD2-CE1 3.69Å; L35-F66 HydrophobicContact CD2-CZ 4.03Å; R62-F66 HydrophobicContact CB-CE2 4.4Å; R62-F66 HydrophobicContact CB-CZ 4.29Å; R62-F66 WeakPolarHBondContact O-CB 3.46Å; R62-F66 VanDerWaalsContact O-CD1 3.26Å; R62-F66 WeakPolarHBondContact O-CD1 3.28Å; R62-F66 WeakPolarHBondContact O-CG 3.36Å; R62-F66 PolarHBondContact O-N 3.4Å; K63-F66 PolarHBondContact O-N 2.87Å; E64-F66 VanDerWaalsContact C-N 3.33Å; E64-F66 PolarHBondContact O-N 3.07Å; F66-F69 WeakPolarHBondContact O-CB 3.42Å; F66-F69 PolarHBondContact O-N 2.99Å; F66-V70 PolarHBondContact O-N 2.98Å; F66-I81 HydrophobicContact CD1-CD1 3.74Å; F66-I81 HydrophobicContact CE1-CD1 4.04Å; F66-I81 HydrophobicContact CE1-CG2 3.84Å; F66-I81 HydrophobicContact CZ-CG2 4.36Å; F66-F83 HydrophobicContact CE2-CD1 4.37Å; F66-F83 HydrophobicContact CZ-CB 4.17Å; F66-F83 HydrophobicContact CZ-CD1 4.14Å; F66-F83 HydrophobicContact CZ-CD2 4.13Å; F66-F83 AromaticContact CZ-CG 3.88Å; F66-F83 HydrophobicContact CZ-CG 3.88Å; F66-I101 HydrophobicContact CD2-CB 3.94Å; F66-I101 HydrophobicContact CD2-CG2 3.81Å; F66-I101 HydrophobicContact CE2-CB 3.99Å; F66-I101 HydrophobicContact CE2-CD1 4.5Å; F66-I101 HydrophobicContact CE2-CG2 3.76Å; F66-I104 HydrophobicContact CB-CD1 4.3Å; F66-I104 HydrophobicContact CB-CG2 4.05Å; F66-F105 HydrophobicContact CB-CE2 3.73Å; F66-F105 HydrophobicContact CB-CZ 4.27Å; F66-F105 HydrophobicContact CD1-CE2 4.49Å; F66-F105 HydrophobicContact CD2-CE2 4.08Å; F66-F105 AromaticContact CG-CE2 3.85Å; F66-F105 HydrophobicContact CG-CE2 3.85Å; F66-F105 HydrophobicContact CG-CZ 4.34Å
67K97.7Very high95.9Very high84 Ų8465.9 Ų65.937%0.36535%0.351SS..Hα-helixtrans-60-46.9172-71171.2-173.2172.90111.6K63 E64 F69 V70 N71 I104K63-K67 WeakPolarHBondContact O-CG 3.34Å; K63-K67 PolarHBondContact O-N 3.37Å; E64-K67 PolarHBondContact O-N 3.45Å; E64-K67 IonicContact OE1-NZ 2.66Å; E64-K67 PolarHBondContact OE1-NZ 3.17Å; K67-F69 VanDerWaalsContact C-N 3.28Å; K67-F69 PolarHBondContact O-N 2.74Å; K67-V70 WeakPolarHBondContact O-CG2 3.1Å; K67-V70 PolarHBondContact O-N 3.39Å; K67-N71 WeakPolarHBondContact O-CB 3.43Å; K67-N71 PolarHBondContact O-N 2.85Å; K67-N71 VanDerWaalsContact O-N 3.11Å; K67-N71 PolarHBondContact O-ND2 3.16Å; K67-I104 HydrophobicContact CG-CD1 4.02Å; K67-I104 HydrophobicContact CG-CG1 4.13Å; K67-I104 HydrophobicContact CG-CG2 4.14Å
68A96.8Very high95.8Very high55 Ų5563.7 Ų63.746%0.45534%0.341SS..Hα-helixtrans-60.9-39.6176.800000111.8E64 L65 N71 S72E64-A68 WeakPolarHBondContact O-CB 3.44Å; E64-A68 PolarHBondContact O-N 2.86Å; L65-A68 PolarHBondContact O-N 3.38Å; A68-N71 PolarHBondContact O-N 3.06Å; A68-S72 PolarHBondContact O-N 3.29Å
69F96.8Very high95.6Very high16 Ų1667 Ų677%0.0736%0.355CS..Hα-helixtrans-62.4-46.3178.5-170.2-95.9000112.2L65 F66 K67 N71 N76 T78 I81 F105L65-F69 WeakPolarHBondContact O-CB 3.07Å; L65-F69 PolarHBondContact O-N 2.76Å; F66-F69 WeakPolarHBondContact O-CB 3.42Å; F66-F69 PolarHBondContact O-N 2.99Å; K67-F69 VanDerWaalsContact C-N 3.28Å; K67-F69 PolarHBondContact O-N 2.74Å; F69-N71 VanDerWaalsContact C-N 3.33Å; F69-N71 PolarHBondContact O-N 3.13Å; F69-N76 HydrophobicContact CD2-CB 4.27Å; F69-N76 WeakPolarHBondContact CD2-ND2 3.5Å; F69-N76 HydrophobicContact CE2-CB 3.9Å; F69-N76 WeakPolarHBondContact CE2-ND2 3.36Å; F69-N76 PolarHBondContact O-ND2 3.17Å; F69-T78 HydrophobicContact CE2-CG2 3.92Å; F69-T78 WeakPolarHBondContact CE2-O 3.24Å; F69-T78 HydrophobicContact CZ-CG2 4.2Å; F69-T78 VanDerWaalsContact CZ-O 3.3Å; F69-T78 WeakPolarHBondContact CZ-O 3.28Å; F69-I81 HydrophobicContact CB-CD1 3.79Å; F69-I81 HydrophobicContact CD1-CD1 3.72Å; F69-I81 HydrophobicContact CD1-CG1 4.17Å; F69-I81 HydrophobicContact CD2-CD1 3.61Å; F69-I81 HydrophobicContact CD2-CG1 3.99Å; F69-I81 HydrophobicContact CE1-CD1 4.17Å; F69-I81 HydrophobicContact CE1-CG1 4.1Å; F69-I81 HydrophobicContact CE2-CD1 4.07Å; F69-I81 HydrophobicContact CE2-CG1 3.91Å; F69-I81 HydrophobicContact CG-CD1 3.41Å; F69-I81 VanDerWaalsContact CG-CD1 3.41Å; F69-I81 HydrophobicContact CG-CG1 4.12Å; F69-I81 HydrophobicContact CZ-CD1 4.33Å; F69-I81 HydrophobicContact CZ-CG1 3.97Å; F69-F105 AromaticContact CD1-CE1 3.91Å; F69-F105 HydrophobicContact CD1-CE1 3.91Å; F69-F105 HydrophobicContact CD1-CZ 4.22Å; F69-F105 HydrophobicContact CE1-CE1 4.28Å
70V96.3Very high95.5Very high24 Ų2467.1 Ų67.115%0.14536%0.356CS..Hα-helixtrans-75.1-21.7-179.6-59.10000113.5F66 K67 I104 F105 A108F66-V70 PolarHBondContact O-N 2.98Å; K67-V70 WeakPolarHBondContact O-CG2 3.1Å; K67-V70 PolarHBondContact O-N 3.39Å; V70-I104 HydrophobicContact CG1-CG2 4.32Å; V70-I104 HydrophobicContact CG2-CG2 3.91Å; V70-F105 HydrophobicContact CG1-CD1 3.62Å; V70-F105 HydrophobicContact CG1-CD2 4.34Å; V70-F105 HydrophobicContact CG1-CE1 3.75Å; V70-F105 HydrophobicContact CG1-CE2 4.47Å; V70-F105 HydrophobicContact CG1-CG 3.94Å; V70-F105 HydrophobicContact CG1-CZ 4.19Å; V70-A108 HydrophobicContact CB-CB 3.72Å; V70-A108 HydrophobicContact CG1-CB 4.22Å; V70-A108 HydrophobicContact CG2-CB 4.04Å
71N94.7Very high95.5Very high126 Ų12660.6 Ų60.667%0.67433%0.332SS*.Hα-helixtrans-79.4-29.1-178.9-75.1-17.5000114.1K67 A68 F69 P73K67-N71 WeakPolarHBondContact O-CB 3.43Å; K67-N71 PolarHBondContact O-N 2.85Å; K67-N71 VanDerWaalsContact O-N 3.11Å; K67-N71 PolarHBondContact O-ND2 3.16Å; A68-N71 PolarHBondContact O-N 3.06Å; F69-N71 VanDerWaalsContact C-N 3.33Å; F69-N71 PolarHBondContact O-N 3.13Å; N71-P73 WeakPolarHBondContact O-CD 3.47Å
72S89.1Confident95.5Very high59 Ų5957.9 Ų57.941%0.41332%0.315SS..  trans-128.352.3-173.7-57.10000113.3A68 E74 T75 N76A68-S72 PolarHBondContact O-N 3.29Å; S72-E74 VanDerWaalsContact C-N 3.31Å; S72-E74 PolarHBondContact O-N 3.19Å; S72-T75 WeakPolarHBondContact CB-OG1 3.24Å; S72-T75 PolarHBondContact O-N 3.46Å; S72-T75 PolarHBondContact O-OG1 2.8Å; S72-N76 PolarHBondContact O-N 3.19Å; S72-N76 PolarHBondContact O-OD1 2.66Å
73P90.7Very high95.6Very high42 Ų4257.8 Ų57.827%0.27332%0.315SS..G310 helixtrans-53-43.4-171.120.5-33.9000114.5M6 N71 T75 N76M6-P73 HydrophobicContact CE-CB 3.24Å; M6-P73 HydrophobicContact CE-CG 4.2Å; M6-P73 HydrophobicContact SD-CB 3.12Å; M6-P73 WeakPolarHBondContact SD-CB 3.45Å; M6-P73 HydrophobicContact SD-CG 4.5Å; N71-P73 WeakPolarHBondContact O-CD 3.47Å; P73-T75 PolarHBondContact O-N 3.03Å; P73-T75 VanDerWaalsContact O-N 3.13Å; P73-N76 PolarHBondContact O-N 3.08Å
74E91.2Very high95.5Very high179 Ų17955.8 Ų55.884%0.83631%0.306SS*.G310 helixtrans-64-18.5-177.7-56.6-64.8172.900113.9S72S72-E74 VanDerWaalsContact C-N 3.31Å; S72-E74 PolarHBondContact O-N 3.19Å
75T92.7Very high95.5Very high109 Ų10951.1 Ų51.167%0.66929%0.285SS*.G310 helixtrans-107-6-177.665.30000113.3S72 P73S72-T75 WeakPolarHBondContact CB-OG1 3.24Å; S72-T75 PolarHBondContact O-N 3.46Å; S72-T75 PolarHBondContact O-OG1 2.8Å; P73-T75 PolarHBondContact O-N 3.03Å; P73-T75 VanDerWaalsContact O-N 3.13Å
76N95.3Very high95.4Very high42 Ų4249.6 Ų49.623%0.22528%0.279CS..  trans-67.3146.8179.3-68.4-24.6000110.5F69 S72 P73 T78F69-N76 HydrophobicContact CD2-CB 4.27Å; F69-N76 WeakPolarHBondContact CD2-ND2 3.5Å; F69-N76 HydrophobicContact CE2-CB 3.9Å; F69-N76 WeakPolarHBondContact CE2-ND2 3.36Å; F69-N76 PolarHBondContact O-ND2 3.17Å; S72-N76 PolarHBondContact O-N 3.19Å; S72-N76 PolarHBondContact O-OD1 2.66Å; P73-N76 PolarHBondContact O-N 3.08Å; N76-T78 WeakPolarHBondContact CB-O 3.4Å; N76-T78 PolarHBondContact O-N 2.74Å
77T95.6Very high95.4Very high141 Ų14149.7 Ų49.787%0.86528%0.279SS*.SBendtrans-80.1-3.2177.758.10000113.4
78T95.1Very high95.4Very high14 Ų1446.7 Ų46.79%0.08627%0.267CS..  trans-156.8161.6177.9-167.50000110.2D31 G32 K33 F69 N76D31-T78 PolarHBondContact O-OG1 2.96Å; D31-T78 VanDerWaalsContact OD1-CA 3.24Å; D31-T78 WeakPolarHBondContact OD1-CA 3.49Å; D31-T78 WeakPolarHBondContact OD1-CB 3.28Å; D31-T78 PolarHBondContact OD1-OG1 3.31Å; G32-T78 WeakPolarHBondContact CA-OG1 3.31Å; G32-T78 PolarHBondContact N-OG1 3.05Å; G32-T78 VanDerWaalsContact N-OG1 3.16Å; K33-T78 HydrophobicContact CB-CG2 3.72Å; F69-T78 HydrophobicContact CE2-CG2 3.92Å; F69-T78 WeakPolarHBondContact CE2-O 3.24Å; F69-T78 HydrophobicContact CZ-CG2 4.2Å; F69-T78 VanDerWaalsContact CZ-O 3.3Å; F69-T78 WeakPolarHBondContact CZ-O 3.28Å; N76-T78 WeakPolarHBondContact CB-O 3.4Å; N76-T78 PolarHBondContact O-N 2.74Å
79K94Very high95.5Very high69 Ų6944.5 Ų44.530%0.325%0.248SC..SBendtrans-90-27178.2-68.8179.9-177.8-164.20114.7V3 M6 A7 D31V3-K79 PolarHBondContact O-NZ 2.69Å; M6-K79 WeakPolarHBondContact CA-O 3.42Å; M6-K79 WeakPolarHBondContact CB-O 3.47Å; M6-K79 HydrophobicContact CG-CB 4.01Å; M6-K79 HydrophobicContact CG-CG 4.27Å; M6-K79 WeakPolarHBondContact CG-O 3.5Å; A7-K79 PolarHBondContact N-O 3.02Å; D31-K79 HydrophobicContact CB-CB 4.44Å; D31-K79 PolarHBondContact O-N 3.39Å; D31-K79 PolarHBondContact OD1-N 2.88Å; D31-K79 WeakPolarHBondContact OD2-CG 3.48Å
80T95.6Very high95.5Very high15 Ų1548.7 Ų48.79%0.09227%0.271CS..EExtended strand (participates in β ladder)trans-125135.1-173.1-590000111.6A7 I9 I30 D31 G32 K33 I82A7-T80 HydrophobicContact CB-CG2 4.34Å; A7-T80 WeakPolarHBondContact O-CA 3.34Å; A7-T80 WeakPolarHBondContact O-CG2 3.38Å; I9-T80 HydrophobicContact CD1-CG2 3.83Å; I9-T80 HydrophobicContact CG1-CG2 3.87Å; I30-T80 HydrophobicContact CD1-CG2 4.16Å; D31-T80 WeakPolarHBondContact O-CB 3.34Å; D31-T80 PolarHBondContact O-N 2.5Å; G32-T80 CarbonylContact C-O 3.58Å; G32-T80 WeakPolarHBondContact CA-O 3.33Å; K33-T80 PolarHBondContact N-O 2.81Å; T80-I82 HydrophobicContact CG2-CG1 4.35Å
81I97.6Very high95.6Very high10 Ų1049 Ų495%0.05127%0.274CS..EExtended strand (participates in β ladder)trans-91.8121.7164.4-69.9170.4000108.5A7 L8 I9 L35 F66 F69 F83 F105A7-I81 PolarHBondContact O-N 3.05Å; L8-I81 HydrophobicContact CD1-CB 4.1Å; L8-I81 HydrophobicContact CD1-CG2 3.9Å; I9-I81 PolarHBondContact N-O 3.03Å; L35-I81 HydrophobicContact CB-CG2 4.47Å; F66-I81 HydrophobicContact CD1-CD1 3.74Å; F66-I81 HydrophobicContact CE1-CD1 4.04Å; F66-I81 HydrophobicContact CE1-CG2 3.84Å; F66-I81 HydrophobicContact CZ-CG2 4.36Å; F69-I81 HydrophobicContact CB-CD1 3.79Å; F69-I81 HydrophobicContact CD1-CD1 3.72Å; F69-I81 HydrophobicContact CD1-CG1 4.17Å; F69-I81 HydrophobicContact CD2-CD1 3.61Å; F69-I81 HydrophobicContact CD2-CG1 3.99Å; F69-I81 HydrophobicContact CE1-CD1 4.17Å; F69-I81 HydrophobicContact CE1-CG1 4.1Å; F69-I81 HydrophobicContact CE2-CD1 4.07Å; F69-I81 HydrophobicContact CE2-CG1 3.91Å; F69-I81 HydrophobicContact CG-CD1 3.41Å; F69-I81 VanDerWaalsContact CG-CD1 3.41Å; F69-I81 HydrophobicContact CG-CG1 4.12Å; F69-I81 HydrophobicContact CZ-CD1 4.33Å; F69-I81 HydrophobicContact CZ-CG1 3.97Å; I81-F83 HydrophobicContact CG2-CB 4.12Å; I81-F105 HydrophobicContact CD1-CZ 4.17Å
82I97.6Very high95.7Very high0 Ų046.8 Ų46.80%027%0.273CS..EExtended strand (participates in β ladder)trans-97.898.5169.8-54.7158.6000106.7I9 L11 L26 E27 I30 K33 L34 L35 T80I9-I82 CarbonylContact O-C 3.58Å; I9-I82 WeakPolarHBondContact O-CA 3.25Å; L11-I82 HydrophobicContact CD1-CG2 4.04Å; L11-I82 HydrophobicContact CG-CG2 4.19Å; L26-I82 HydrophobicContact CB-CD1 3.74Å; L26-I82 HydrophobicContact CD1-CG2 4.2Å; E27-I82 HydrophobicContact CB-CD1 4.26Å; I30-I82 HydrophobicContact CD1-CD1 4.08Å; I30-I82 HydrophobicContact CD1-CG1 4.28Å; I30-I82 HydrophobicContact CG1-CD1 4.29Å; K33-I82 PolarHBondContact O-N 3.26Å; L34-I82 CarbonylContact C-O 3.45Å; L34-I82 WeakPolarHBondContact CA-O 3.44Å; L34-I82 HydrophobicContact CD1-CB 4.23Å; L34-I82 HydrophobicContact CD1-CG2 3.83Å; L34-I82 WeakPolarHBondContact CD1-O 3.37Å; L35-I82 PolarHBondContact N-O 3.37Å; T80-I82 HydrophobicContact CG2-CG1 4.35Å
83F98.3Very high96.1Very high0 Ų049 Ų490%027%0.273CS..EExtended strand (participates in β ladder)trans-98.3142.1-177.6-180-125.7000111.2L8 I9 V10 L11 L35 R62 F66 I81 V85 F97 I101L8-F83 HydrophobicContact CD1-CB 4.07Å; I9-F83 PolarHBondContact O-N 3.4Å; V10-F83 CarbonylContact C-O 3.59Å; V10-F83 WeakPolarHBondContact CA-O 3.33Å; V10-F83 HydrophobicContact CG1-CD1 4Å; L11-F83 PolarHBondContact N-O 3.17Å; L35-F83 HydrophobicContact CB-CD2 4.19Å; L35-F83 HydrophobicContact CD2-CD2 3.88Å; L35-F83 HydrophobicContact CD2-CE2 4.32Å; L35-F83 HydrophobicContact CG-CD2 3.95Å; L35-F83 HydrophobicContact CG-CE2 4.4Å; L35-F83 WeakPolarHBondContact O-CA 3.46Å; L35-F83 VanDerWaalsContact O-CD2 3.25Å; L35-F83 WeakPolarHBondContact O-CD2 3.35Å; R62-F83 HydrophobicContact CG-CE2 4.48Å; F66-F83 HydrophobicContact CE2-CD1 4.37Å; F66-F83 HydrophobicContact CZ-CB 4.17Å; F66-F83 HydrophobicContact CZ-CD1 4.14Å; F66-F83 HydrophobicContact CZ-CD2 4.13Å; F66-F83 AromaticContact CZ-CG 3.88Å; F66-F83 HydrophobicContact CZ-CG 3.88Å; I81-F83 HydrophobicContact CG2-CB 4.12Å; F83-V85 HydrophobicContact CD1-CB 4.43Å; F83-V85 HydrophobicContact CD1-CG1 4.43Å; F83-V85 HydrophobicContact CE1-CB 3.64Å; F83-V85 HydrophobicContact CE1-CG1 3.94Å; F83-V85 HydrophobicContact CE1-CG2 4.26Å; F83-V85 HydrophobicContact CZ-CB 3.86Å; F83-V85 HydrophobicContact CZ-CG2 4.29Å; F83-F97 AromaticContact CE1-CE1 3.79Å; F83-F97 HydrophobicContact CE1-CE1 3.79Å; F83-F97 AromaticContact CE1-CZ 3.9Å; F83-F97 HydrophobicContact CE1-CZ 3.9Å; F83-F97 HydrophobicContact CZ-CE1 4.28Å; F83-F97 HydrophobicContact CZ-CZ 4.12Å; F83-I101 HydrophobicContact CD1-CD1 4.05Å; F83-I101 HydrophobicContact CE1-CD1 4.17Å
84T97.6Very high96.4Very high2 Ų248.6 Ų48.61%0.01227%0.269CS..EExtended strand (participates in β ladder)trans-119.5134.2174.477.50000110.9L11 K19 L34 L35 F36 N37L11-T84 HydrophobicContact CB-CG2 4.15Å; L11-T84 HydrophobicContact CD1-CG2 4.18Å; L11-T84 WeakPolarHBondContact O-CA 3.48Å; K19-T84 HydrophobicContact CB-CG2 3.95Å; L34-T84 HydrophobicContact CD1-CG2 3.67Å; L35-T84 PolarHBondContact O-N 3.11Å; F36-T84 WeakPolarHBondContact CA-OG1 3.42Å; N37-T84 WeakPolarHBondContact CB-O 3.23Å; N37-T84 PolarHBondContact N-O 3.4Å; N37-T84 PolarHBondContact N-OG1 3.4Å
85V97.2Very high96.8Very high9 Ų941 Ų416%0.05523%0.234CC..  trans-146.4158.9179650000111.1V10 L11 I12 K19 F83 I87 F97 L98V10-V85 HydrophobicContact CG1-CG1 3.73Å; L11-V85 PolarHBondContact O-N 3.41Å; L11-V85 VanDerWaalsContact O-N 3.1Å; I12-V85 HydrophobicContact CG1-CG1 4.23Å; K19-V85 VanDerWaalsContact CD-O 3.26Å; K19-V85 WeakPolarHBondContact CD-O 3.1Å; K19-V85 WeakPolarHBondContact CE-O 3.4Å; K19-V85 PolarHBondContact NZ-O 2.97Å; F83-V85 HydrophobicContact CD1-CB 4.43Å; F83-V85 HydrophobicContact CD1-CG1 4.43Å; F83-V85 HydrophobicContact CE1-CB 3.64Å; F83-V85 HydrophobicContact CE1-CG1 3.94Å; F83-V85 HydrophobicContact CE1-CG2 4.26Å; F83-V85 HydrophobicContact CZ-CB 3.86Å; F83-V85 HydrophobicContact CZ-CG2 4.29Å; V85-I87 HydrophobicContact CG1-CD1 3.94Å; V85-I87 HydrophobicContact CG1-CG1 3.92Å; V85-I87 HydrophobicContact CG2-CD1 4.03Å; V85-F97 HydrophobicContact CG2-CE1 4.12Å; V85-L98 HydrophobicContact CG1-CD2 4.32Å
86V96.2Very high97Very high46 Ų4640.9 Ų40.928%0.27923%0.226SC..  trans-103.6131.8168.3176.80000106.1Q15 L159Q15-V86 HydrophobicContact CG-CG2 4.39Å; V86-L159 HydrophobicContact CG1-CD1 4.29Å; V86-L159 HydrophobicContact CG1-CD2 3.91Å
87I96.9Very high97.1Very high1 Ų139.2 Ų39.21%0.00522%0.216CC..  trans-123.1124.3-179-61.8-65000107.3I12 V85 F89 D94 I95 L98 L159I12-I87 HydrophobicContact CG1-CG1 4.37Å; I12-I87 HydrophobicContact CG2-CB 3.74Å; I12-I87 HydrophobicContact CG2-CG1 3.65Å; V85-I87 HydrophobicContact CG1-CD1 3.94Å; V85-I87 HydrophobicContact CG1-CG1 3.92Å; V85-I87 HydrophobicContact CG2-CD1 4.03Å; I87-F89 HydrophobicContact CG2-CD1 4.31Å; I87-F89 HydrophobicContact CG2-CD2 4.4Å; I87-F89 HydrophobicContact CG2-CE1 4.31Å; I87-F89 HydrophobicContact CG2-CE2 4.42Å; I87-F89 HydrophobicContact CG2-CG 4.34Å; I87-F89 HydrophobicContact CG2-CZ 4.37Å; I87-D94 WeakPolarHBondContact CA-OD2 3.41Å; I87-D94 HydrophobicContact CD1-CB 3.98Å; I87-D94 HydrophobicContact CG2-CB 4.04Å; I87-I95 HydrophobicContact CG2-CD1 4.24Å; I87-L98 HydrophobicContact CD1-CD1 4.01Å; I87-L98 HydrophobicContact CD1-CD2 3.84Å; I87-L98 HydrophobicContact CD1-CG 3.63Å; I87-L98 HydrophobicContact CG1-CD1 3.89Å; I87-L98 HydrophobicContact CG1-CD2 4.09Å; I87-L98 HydrophobicContact CG1-CG 4.03Å; I87-L98 HydrophobicContact CG2-CD1 4.01Å; I87-L159 WeakPolarHBondContact O-CD2 3.42Å
88D97.8Very high97.3Very high21 Ų2132.5 Ų32.511%0.11218%0.175CC..  trans-86.8111.7160.4-173.45.3000108.7D90 S91 D94 N157 R158 L159D88-D90 PolarHBondContact O-N 3.39Å; D88-D90 VanDerWaalsContact O-N 3.15Å; D88-D90 PolarHBondContact OD1-N 3.1Å; D88-S91 VanDerWaalsContact O-CB 3.31Å; D88-S91 WeakPolarHBondContact O-CB 3.45Å; D88-S91 PolarHBondContact O-N 2.91Å; D88-D94 PolarHBondContact N-OD2 2.81Å; D88-N157 HydrophobicContact CB-CB 4.39Å; D88-N157 WeakPolarHBondContact OD2-CB 3.4Å; D88-N157 PolarHBondContact OD2-ND2 2.85Å; D88-R158 PolarHBondContact OD1-N 2.89Å; D88-L159 HydrophobicContact CB-CD2 4.07Å
89F98.3Very high97.4Very high10 Ų1035.7 Ų35.74%0.04419%0.189CC..THydrogen-bonded Turntrans-69.7-9.8-177.3-74.1-84.1000113.1I12 I87 I95 R158 S161 V166I12-F89 HydrophobicContact CG2-CZ 4.4Å; I87-F89 HydrophobicContact CG2-CD1 4.31Å; I87-F89 HydrophobicContact CG2-CD2 4.4Å; I87-F89 HydrophobicContact CG2-CE1 4.31Å; I87-F89 HydrophobicContact CG2-CE2 4.42Å; I87-F89 HydrophobicContact CG2-CG 4.34Å; I87-F89 HydrophobicContact CG2-CZ 4.37Å; F89-I95 HydrophobicContact CD1-CD1 3.95Å; F89-R158 VanDerWaalsContact C-NH2 3.33Å; F89-R158 VanDerWaalsContact CB-NH2 3.31Å; F89-R158 WeakPolarHBondContact CD2-O 3.31Å; F89-R158 PolarHBondContact N-O 2.83Å; F89-R158 PolarHBondContact O-NH2 3.28Å; F89-S161 VanDerWaalsContact CE2-N 3.29Å; F89-V166 HydrophobicContact CE1-CG2 3.7Å; F89-V166 HydrophobicContact CZ-CG2 3.93Å
90D98Very high97.6Very high104 Ų10435.2 Ų35.256%0.55619%0.19SC*.THydrogen-bonded Turntrans-92.8-4.9169.6-66.6-26.1000112.9D88 R158D88-D90 PolarHBondContact O-N 3.39Å; D88-D90 VanDerWaalsContact O-N 3.15Å; D88-D90 PolarHBondContact OD1-N 3.1Å; D90-R158 VanDerWaalsContact CG-NE 3.29Å; D90-R158 IonicContact OD1-CZ 3.9Å; D90-R158 VanDerWaalsContact OD1-CZ 3.25Å; D90-R158 IonicContact OD1-NE 2.62Å; D90-R158 PolarHBondContact OD1-NE 2.77Å; D90-R158 IonicContact OD1-NH2 3.66Å; D90-R158 PolarHBondContact OD1-NH2 2.77Å; D90-R158 VanDerWaalsContact OD2-CB 3.31Å; D90-R158 WeakPolarHBondContact OD2-CB 3.34Å; D90-R158 IonicContact OD2-NE 3.76Å; D90-R158 PolarHBondContact OD2-NE 2.9Å
91S97.5Very high97.8Very high30 Ų3034.5 Ų34.521%0.2119%0.186CC..  trans-90.3110.4176.3174.90000110.6D88 Y93 D94 I95D88-S91 VanDerWaalsContact O-CB 3.31Å; D88-S91 WeakPolarHBondContact O-CB 3.45Å; D88-S91 PolarHBondContact O-N 2.91Å; S91-Y93 PolarHBondContact O-N 2.87Å; S91-D94 WeakPolarHBondContact CB-OD1 3.26Å; S91-D94 PolarHBondContact O-N 2.97Å; S91-D94 VanDerWaalsContact O-N 3.1Å; S91-D94 PolarHBondContact OG-N 3.03Å; S91-D94 PolarHBondContact OG-OD1 3.25Å; S91-I95 WeakPolarHBondContact O-CG1 3.5Å; S91-I95 PolarHBondContact O-N 3.46Å; S91-I95 VanDerWaalsContact O-N 3.1Å
92A97.8Very high97.8Very high80 Ų8034.1 Ų34.166%0.66118%0.184SC*.Hα-helixtrans-56.5-35.3173.400000112.2I95 E96A92-I95 PolarHBondContact O-N 3.13Å; A92-E96 VanDerWaalsContact O-CB 3.27Å; A92-E96 WeakPolarHBondContact O-CB 3.39Å; A92-E96 PolarHBondContact O-N 2.86Å
93Y96.8Very high97.8Very high104 Ų10436.3 Ų36.341%0.40820%0.199SC..Hα-helixtrans-62.3-42176.4179.5-93.1000112.5D59 S91 F97D59-Y93 PolarHBondContact OD2-OH 2.93Å; S91-Y93 PolarHBondContact O-N 2.87Å; Y93-F97 WeakPolarHBondContact O-CB 3.41Å; Y93-F97 PolarHBondContact O-N 3.5Å
94D97.5Very high97.8Very high34 Ų3437.3 Ų37.318%0.18220%0.204CC..Hα-helixtrans-71.5-37.8-179.4-66.628.1000110.7I87 D88 S91 F97 L98I87-D94 WeakPolarHBondContact CA-OD2 3.41Å; I87-D94 HydrophobicContact CD1-CB 3.98Å; I87-D94 HydrophobicContact CG2-CB 4.04Å; D88-D94 PolarHBondContact N-OD2 2.81Å; S91-D94 WeakPolarHBondContact CB-OD1 3.26Å; S91-D94 PolarHBondContact O-N 2.97Å; S91-D94 VanDerWaalsContact O-N 3.1Å; S91-D94 PolarHBondContact OG-N 3.03Å; S91-D94 PolarHBondContact OG-OD1 3.25Å; D94-F97 PolarHBondContact O-N 2.83Å; D94-L98 PolarHBondContact O-N 3.48Å
95I98.4Very high97.8Very high20 Ų2037.2 Ų37.210%0.10320%0.204CC..Hα-helixtrans-65.9-46.4175-61.8-53.2000110.9I87 F89 S91 A92 F97 L98 Q99 L169 F170I87-I95 HydrophobicContact CG2-CD1 4.24Å; F89-I95 HydrophobicContact CD1-CD1 3.95Å; S91-I95 WeakPolarHBondContact O-CG1 3.5Å; S91-I95 PolarHBondContact O-N 3.46Å; S91-I95 VanDerWaalsContact O-N 3.1Å; A92-I95 PolarHBondContact O-N 3.13Å; I95-F97 VanDerWaalsContact C-N 3.31Å; I95-F97 PolarHBondContact O-N 3.3Å; I95-L98 WeakPolarHBondContact O-CB 3.38Å; I95-L98 PolarHBondContact O-N 3.36Å; I95-Q99 WeakPolarHBondContact O-CG 3.49Å; I95-Q99 PolarHBondContact O-N 3.44Å; I95-L169 HydrophobicContact CD1-CD1 4.05Å; I95-F170 HydrophobicContact CG2-CZ 4.19Å
96E98.2Very high97.8Very high106 Ų10639.4 Ų39.450%0.49522%0.215SC..Hα-helixtrans-60.1-41.9175.4-176.7179.5-168.200111.1A92 L98 Q99 D100A92-E96 VanDerWaalsContact O-CB 3.27Å; A92-E96 WeakPolarHBondContact O-CB 3.39Å; A92-E96 PolarHBondContact O-N 2.86Å; E96-L98 PolarHBondContact O-N 2.91Å; E96-Q99 WeakPolarHBondContact O-CB 3.23Å; E96-Q99 PolarHBondContact O-N 2.97Å; E96-Q99 VanDerWaalsContact O-N 3.14Å; E96-D100 PolarHBondContact O-N 2.94Å
97F97.9Very high97.8Very high7 Ų744.6 Ų44.63%0.03124%0.236CC..Hα-helixtrans-60.6-42.6174.9174.1-96.7000112.6D59 F83 V85 Y93 D94 I95 Q99 D100 I101D59-F97 HydrophobicContact CB-CD2 4.06Å; D59-F97 HydrophobicContact CB-CE2 3.89Å; F83-F97 AromaticContact CE1-CE1 3.79Å; F83-F97 HydrophobicContact CE1-CE1 3.79Å; F83-F97 AromaticContact CE1-CZ 3.9Å; F83-F97 HydrophobicContact CE1-CZ 3.9Å; F83-F97 HydrophobicContact CZ-CE1 4.28Å; F83-F97 HydrophobicContact CZ-CZ 4.12Å; V85-F97 HydrophobicContact CG2-CE1 4.12Å; Y93-F97 WeakPolarHBondContact O-CB 3.41Å; Y93-F97 PolarHBondContact O-N 3.5Å; D94-F97 PolarHBondContact O-N 2.83Å; I95-F97 VanDerWaalsContact C-N 3.31Å; I95-F97 PolarHBondContact O-N 3.3Å; F97-Q99 VanDerWaalsContact C-N 3.33Å; F97-D100 PolarHBondContact O-N 3.19Å; F97-I101 HydrophobicContact CD2-CG2 4.43Å; F97-I101 HydrophobicContact CE1-CD1 3.99Å; F97-I101 HydrophobicContact CE1-CG2 4.29Å; F97-I101 HydrophobicContact CE2-CG2 3.91Å; F97-I101 HydrophobicContact CZ-CD1 4.41Å; F97-I101 HydrophobicContact CZ-CG2 3.84Å; F97-I101 WeakPolarHBondContact O-CG1 3.31Å; F97-I101 WeakPolarHBondContact O-CG2 3.23Å; F97-I101 PolarHBondContact O-N 2.97Å; F97-I101 VanDerWaalsContact O-N 3.13Å
98L98.3Very high97.7Very high0 Ų046.1 Ų46.10%025%0.249CC..Hα-helixtrans-63.4-38.9173.4-75.4-177.6000112.4V10 I12 V85 I87 D94 I95 E96 I101 A102 F114 F170V10-L98 HydrophobicContact CG1-CD2 4.26Å; I12-L98 HydrophobicContact CD1-CD1 3.86Å; I12-L98 HydrophobicContact CD1-CD2 3.86Å; I12-L98 HydrophobicContact CG1-CD2 4.44Å; V85-L98 HydrophobicContact CG1-CD2 4.32Å; I87-L98 HydrophobicContact CD1-CD1 4.01Å; I87-L98 HydrophobicContact CD1-CD2 3.84Å; I87-L98 HydrophobicContact CD1-CG 3.63Å; I87-L98 HydrophobicContact CG1-CD1 3.89Å; I87-L98 HydrophobicContact CG1-CD2 4.09Å; I87-L98 HydrophobicContact CG1-CG 4.03Å; I87-L98 HydrophobicContact CG2-CD1 4.01Å; D94-L98 PolarHBondContact O-N 3.48Å; I95-L98 WeakPolarHBondContact O-CB 3.38Å; I95-L98 PolarHBondContact O-N 3.36Å; E96-L98 PolarHBondContact O-N 2.91Å; L98-I101 HydrophobicContact CD2-CD1 4.11Å; L98-I101 WeakPolarHBondContact O-CG1 3.47Å; L98-A102 VanDerWaalsContact O-CB 3.28Å; L98-A102 WeakPolarHBondContact O-CB 3.48Å; L98-A102 PolarHBondContact O-N 2.86Å; L98-F114 HydrophobicContact CB-CE2 4.16Å; L98-F114 HydrophobicContact CB-CZ 4.06Å; L98-F114 HydrophobicContact CD1-CE2 4.13Å; L98-F114 HydrophobicContact CD2-CE1 4.43Å; L98-F114 HydrophobicContact CD2-CE2 4.35Å; L98-F114 HydrophobicContact CD2-CZ 4.02Å; L98-F114 HydrophobicContact CG-CE2 4.46Å; L98-F114 HydrophobicContact CG-CZ 4.45Å; L98-F170 HydrophobicContact CB-CE1 3.69Å; L98-F170 HydrophobicContact CB-CZ 3.52Å; L98-F170 HydrophobicContact CD1-CE2 4.06Å; L98-F170 HydrophobicContact CD1-CZ 3.78Å; L98-F170 HydrophobicContact CG-CZ 4.35Å
99Q98.4Very high97.5Very high82 Ų8252 Ų5238%0.38328%0.28SS..Hα-helixtrans-62.1-50.6176.9-71.9173.2-25.100110I95 E96 F97 I101 A102 S103 F170I95-Q99 WeakPolarHBondContact O-CG 3.49Å; I95-Q99 PolarHBondContact O-N 3.44Å; E96-Q99 WeakPolarHBondContact O-CB 3.23Å; E96-Q99 PolarHBondContact O-N 2.97Å; E96-Q99 VanDerWaalsContact O-N 3.14Å; F97-Q99 VanDerWaalsContact C-N 3.33Å; Q99-I101 PolarHBondContact O-N 2.75Å; Q99-A102 PolarHBondContact O-N 2.89Å; Q99-A102 VanDerWaalsContact O-N 3.17Å; Q99-S103 WeakPolarHBondContact O-CB 3.45Å; Q99-S103 PolarHBondContact O-N 2.76Å; Q99-S103 PolarHBondContact O-OG 2.85Å; Q99-S103 VanDerWaalsContact O-OG 3.06Å; Q99-F170 HydrophobicContact CB-CE1 4.34Å; Q99-F170 HydrophobicContact CG-CD1 4.22Å; Q99-F170 HydrophobicContact CG-CE1 3.49Å; Q99-F170 VanDerWaalsContact CG-CE1 3.49Å; Q99-F170 HydrophobicContact CG-CZ 4.25Å
100D98.3Very high97.3Very high58 Ų5853.2 Ų53.231%0.3129%0.286SS..Hα-helixtrans-58.3-46.8-179.3-74.9-13.9000112.6K63 E96 F97 A102 S103 I104K63-D100 HydrophobicContact CD-CB 4.36Å; K63-D100 WeakPolarHBondContact CE-OD2 3.49Å; K63-D100 IonicContact NZ-OD2 3.86Å; K63-D100 PolarHBondContact NZ-OD2 3.44Å; E96-D100 PolarHBondContact O-N 2.94Å; F97-D100 PolarHBondContact O-N 3.19Å; D100-A102 VanDerWaalsContact C-N 3.34Å; D100-S103 PolarHBondContact O-N 3.42Å; D100-I104 WeakPolarHBondContact O-CG1 3.43Å; D100-I104 PolarHBondContact O-N 3.34Å
101I98.2Very high97.1Very high0 Ų050.6 Ų50.60%027%0.271CS..Hα-helixtrans-70.7-31.8-179.969176.7000111.9L8 V10 K63 F66 F83 F97 L98 Q99 F105L8-I101 HydrophobicContact CD2-CB 4.29Å; L8-I101 HydrophobicContact CD2-CD1 4.28Å; L8-I101 HydrophobicContact CD2-CG1 4.17Å; V10-I101 HydrophobicContact CG1-CD1 4.46Å; V10-I101 HydrophobicContact CG2-CD1 4Å; K63-I101 HydrophobicContact CG-CG2 4.28Å; F66-I101 HydrophobicContact CD2-CB 3.94Å; F66-I101 HydrophobicContact CD2-CG2 3.81Å; F66-I101 HydrophobicContact CE2-CB 3.99Å; F66-I101 HydrophobicContact CE2-CD1 4.5Å; F66-I101 HydrophobicContact CE2-CG2 3.76Å; F83-I101 HydrophobicContact CD1-CD1 4.05Å; F83-I101 HydrophobicContact CE1-CD1 4.17Å; F97-I101 HydrophobicContact CD2-CG2 4.43Å; F97-I101 HydrophobicContact CE1-CD1 3.99Å; F97-I101 HydrophobicContact CE1-CG2 4.29Å; F97-I101 HydrophobicContact CE2-CG2 3.91Å; F97-I101 HydrophobicContact CZ-CD1 4.41Å; F97-I101 HydrophobicContact CZ-CG2 3.84Å; F97-I101 WeakPolarHBondContact O-CG1 3.31Å; F97-I101 WeakPolarHBondContact O-CG2 3.23Å; F97-I101 PolarHBondContact O-N 2.97Å; F97-I101 VanDerWaalsContact O-N 3.13Å; L98-I101 HydrophobicContact CD2-CD1 4.11Å; L98-I101 WeakPolarHBondContact O-CG1 3.47Å; Q99-I101 PolarHBondContact O-N 2.75Å; I101-F105 WeakPolarHBondContact O-CD2 3.4Å
102A98.2Very high97.1Very high3 Ų349.3 Ų49.33%0.02526%0.262CS..Hα-helixtrans-68.9-45.2174.800000110.9L98 Q99 D100 I104 F105 L106 V112 F114 V173L98-A102 VanDerWaalsContact O-CB 3.28Å; L98-A102 WeakPolarHBondContact O-CB 3.48Å; L98-A102 PolarHBondContact O-N 2.86Å; Q99-A102 PolarHBondContact O-N 2.89Å; Q99-A102 VanDerWaalsContact O-N 3.17Å; D100-A102 VanDerWaalsContact C-N 3.34Å; A102-I104 VanDerWaalsContact C-N 3.33Å; A102-I104 PolarHBondContact O-N 3.48Å; A102-F105 PolarHBondContact O-N 3.14Å; A102-F105 VanDerWaalsContact O-N 3.15Å; A102-L106 HydrophobicContact CB-CD1 4.33Å; A102-L106 VanDerWaalsContact O-CG 3.32Å; A102-L106 WeakPolarHBondContact O-CG 3.43Å; A102-L106 PolarHBondContact O-N 2.91Å; A102-V112 HydrophobicContact CB-CG1 4.17Å; A102-F114 HydrophobicContact CB-CZ 4.07Å; A102-V173 HydrophobicContact CB-CG2 3.98Å
103S98.2Very high97Very high45 Ų4546.1 Ų46.132%0.31523%0.233SC..Hα-helixtrans-58.7-41.7179.8-63.20000112.4Q99 D100 F105 L106 E107Q99-S103 WeakPolarHBondContact O-CB 3.45Å; Q99-S103 PolarHBondContact O-N 2.76Å; Q99-S103 PolarHBondContact O-OG 2.85Å; Q99-S103 VanDerWaalsContact O-OG 3.06Å; D100-S103 PolarHBondContact O-N 3.42Å; S103-F105 PolarHBondContact O-N 2.58Å; S103-F105 VanDerWaalsContact O-N 3.16Å; S103-L106 PolarHBondContact O-N 3.02Å; S103-E107 VanDerWaalsContact O-CB 3.25Å; S103-E107 WeakPolarHBondContact O-CB 3.48Å; S103-E107 VanDerWaalsContact O-CG 3.25Å; S103-E107 WeakPolarHBondContact O-CG 3.26Å; S103-E107 PolarHBondContact O-N 3.47Å
104I98Very high97.1Very high21 Ų2141.2 Ų41.211%0.10821%0.213CC..Hα-helixtrans-51.9-41.7176.9-71.4164.3000112.1K63 F66 K67 V70 D100 A102K63-I104 HydrophobicContact CB-CD1 4.15Å; K63-I104 HydrophobicContact CG-CD1 4.32Å; F66-I104 HydrophobicContact CB-CD1 4.3Å; F66-I104 HydrophobicContact CB-CG2 4.05Å; K67-I104 HydrophobicContact CG-CD1 4.02Å; K67-I104 HydrophobicContact CG-CG1 4.13Å; K67-I104 HydrophobicContact CG-CG2 4.14Å; V70-I104 HydrophobicContact CG1-CG2 4.32Å; V70-I104 HydrophobicContact CG2-CG2 3.91Å; D100-I104 WeakPolarHBondContact O-CG1 3.43Å; D100-I104 PolarHBondContact O-N 3.34Å; A102-I104 VanDerWaalsContact C-N 3.33Å; A102-I104 PolarHBondContact O-N 3.48Å
105F97.3Very high97.1Very high1 Ų139.8 Ų39.80%0.00421%0.206CC..Hα-helixtrans-83.8-44.2-179.3-75.8-100.8000112L8 F66 F69 V70 I81 I101 A102 S103 E107 A108 N109 Q110 V112L8-F105 HydrophobicContact CB-CD1 3.77Å; L8-F105 HydrophobicContact CB-CD2 3.79Å; L8-F105 HydrophobicContact CB-CE1 3.78Å; L8-F105 HydrophobicContact CB-CE2 3.78Å; L8-F105 HydrophobicContact CB-CG 3.77Å; L8-F105 HydrophobicContact CB-CZ 3.79Å; L8-F105 HydrophobicContact CD1-CE2 3.99Å; L8-F105 HydrophobicContact CD1-CZ 4.02Å; L8-F105 HydrophobicContact CD2-CD2 3.72Å; L8-F105 HydrophobicContact CD2-CE2 3.71Å; L8-F105 HydrophobicContact CD2-CG 4.45Å; L8-F105 HydrophobicContact CD2-CZ 4.46Å; L8-F105 HydrophobicContact CG-CD2 4.25Å; L8-F105 HydrophobicContact CG-CE2 4.02Å; L8-F105 HydrophobicContact CG-CZ 4.29Å; F66-F105 HydrophobicContact CB-CE2 3.73Å; F66-F105 HydrophobicContact CB-CZ 4.27Å; F66-F105 HydrophobicContact CD1-CE2 4.49Å; F66-F105 HydrophobicContact CD2-CE2 4.08Å; F66-F105 AromaticContact CG-CE2 3.85Å; F66-F105 HydrophobicContact CG-CE2 3.85Å; F66-F105 HydrophobicContact CG-CZ 4.34Å; F69-F105 AromaticContact CD1-CE1 3.91Å; F69-F105 HydrophobicContact CD1-CE1 3.91Å; F69-F105 HydrophobicContact CD1-CZ 4.22Å; F69-F105 HydrophobicContact CE1-CE1 4.28Å; V70-F105 HydrophobicContact CG1-CD1 3.62Å; V70-F105 HydrophobicContact CG1-CD2 4.34Å; V70-F105 HydrophobicContact CG1-CE1 3.75Å; V70-F105 HydrophobicContact CG1-CE2 4.47Å; V70-F105 HydrophobicContact CG1-CG 3.94Å; V70-F105 HydrophobicContact CG1-CZ 4.19Å; I81-F105 HydrophobicContact CD1-CZ 4.17Å; I101-F105 WeakPolarHBondContact O-CD2 3.4Å; A102-F105 PolarHBondContact O-N 3.14Å; A102-F105 VanDerWaalsContact O-N 3.15Å; S103-F105 PolarHBondContact O-N 2.58Å; S103-F105 VanDerWaalsContact O-N 3.16Å; F105-E107 VanDerWaalsContact C-N 3.33Å; F105-E107 PolarHBondContact O-N 3.13Å; F105-A108 CarbonylContact O-C 3.59Å; F105-A108 WeakPolarHBondContact O-CA 3.1Å; F105-A108 PolarHBondContact O-N 2.76Å; F105-N109 PolarHBondContact O-N 3.37Å; F105-Q110 CarbonylContact C-O 3.6Å; F105-Q110 HydrophobicContact CB-CB 4.07Å; F105-Q110 HydrophobicContact CD1-CB 4.04Å; F105-Q110 WeakPolarHBondContact O-CA 3.4Å; F105-Q110 WeakPolarHBondContact O-CB 3.35Å; F105-Q110 PolarHBondContact O-N 2.98Å; F105-V112 HydrophobicContact CB-CG2 3.52Å; F105-V112 HydrophobicContact CG-CG2 4.4Å
106L96.5Very high97.1Very high55 Ų5538.9 Ų38.929%0.28820%0.201SC..Hα-helixtrans-62-40.2-179.4-67.7172.9000112.1A102 S103 A108 N109 V112 A172 V173A102-L106 HydrophobicContact CB-CD1 4.33Å; A102-L106 VanDerWaalsContact O-CG 3.32Å; A102-L106 WeakPolarHBondContact O-CG 3.43Å; A102-L106 PolarHBondContact O-N 2.91Å; S103-L106 PolarHBondContact O-N 3.02Å; L106-A108 PolarHBondContact O-N 3.1Å; L106-N109 WeakPolarHBondContact O-CA 3.33Å; L106-N109 PolarHBondContact O-N 3.06Å; L106-V112 HydrophobicContact CD2-CB 4.46Å; L106-V112 HydrophobicContact CD2-CG2 4.03Å; L106-V112 HydrophobicContact CG-CG2 3.89Å; L106-A172 HydrophobicContact CD1-CB 3.95Å; L106-V173 HydrophobicContact CD1-CG2 4.1Å
107E96.6Very high97.1Very high155 Ų15533.9 Ų33.972%0.72418%0.178SC*.Hα-helixtrans-66.2-27.2175.8-70.1172.7-170.600112.3S103 F105 N109S103-E107 VanDerWaalsContact O-CB 3.25Å; S103-E107 WeakPolarHBondContact O-CB 3.48Å; S103-E107 VanDerWaalsContact O-CG 3.25Å; S103-E107 WeakPolarHBondContact O-CG 3.26Å; S103-E107 PolarHBondContact O-N 3.47Å; F105-E107 VanDerWaalsContact C-N 3.33Å; F105-E107 PolarHBondContact O-N 3.13Å; E107-N109 PolarHBondContact O-N 2.91Å
108A95.3Very high97.1Very high33 Ų3334.2 Ų34.227%0.27318%0.18SC..THydrogen-bonded Turntrans-8513.1171.500000113.2V70 F105 L106 Q110V70-A108 HydrophobicContact CB-CB 3.72Å; V70-A108 HydrophobicContact CG1-CB 4.22Å; V70-A108 HydrophobicContact CG2-CB 4.04Å; F105-A108 CarbonylContact O-C 3.59Å; F105-A108 WeakPolarHBondContact O-CA 3.1Å; F105-A108 PolarHBondContact O-N 2.76Å; L106-A108 PolarHBondContact O-N 3.1Å; A108-Q110 HydrophobicContact CB-CG 4.11Å; A108-Q110 PolarHBondContact O-N 3.21Å; A108-Q110 PolarHBondContact O-NE2 3.33Å
109N93.8Very high97.1Very high144 Ų14434.3 Ų34.377%0.7718%0.181SC*.THydrogen-bonded Turntrans5531.8-175.1-58.9-67.1000113.7F105 L106 E107F105-N109 PolarHBondContact O-N 3.37Å; L106-N109 WeakPolarHBondContact O-CA 3.33Å; L106-N109 PolarHBondContact O-N 3.06Å; E107-N109 PolarHBondContact O-N 2.91Å
110Q93.6Very high97.1Very high35 Ų3532.7 Ų32.716%0.16418%0.182CC..  trans-102.2149176.7-58.3-49.2-60.500110.6M6 F105 A108M6-Q110 VanDerWaalsContact CB-OE1 3.27Å; M6-Q110 WeakPolarHBondContact O-CB 3.5Å; M6-Q110 PolarHBondContact O-OE1 3.31Å; F105-Q110 CarbonylContact C-O 3.6Å; F105-Q110 HydrophobicContact CB-CB 4.07Å; F105-Q110 HydrophobicContact CD1-CB 4.04Å; F105-Q110 WeakPolarHBondContact O-CA 3.4Å; F105-Q110 WeakPolarHBondContact O-CB 3.35Å; F105-Q110 PolarHBondContact O-N 2.98Å; A108-Q110 HydrophobicContact CB-CG 4.11Å; A108-Q110 PolarHBondContact O-N 3.21Å; A108-Q110 PolarHBondContact O-NE2 3.33Å
111E93.9Very high97.1Very high50 Ų5033 Ų3323%0.23418%0.183CC..EExtended strand (participates in β ladder)trans-79.4145.9-179.2-75.4-177140.800112.5L5 A7 L8 Y113 K174L5-E111 HydrophobicContact CD2-CB 4.25Å; L5-E111 HydrophobicContact CD2-CG 3.57Å; A7-E111 VanDerWaalsContact CA-O 3.28Å; A7-E111 WeakPolarHBondContact CA-O 3.48Å; A7-E111 HydrophobicContact CB-CB 4.48Å; A7-E111 WeakPolarHBondContact CB-O 3.5Å; L8-E111 PolarHBondContact N-O 3.46Å; E111-Y113 HydrophobicContact CB-CD2 4.32Å; E111-Y113 HydrophobicContact CB-CE2 3.54Å; E111-Y113 VanDerWaalsContact CD-OH 3.24Å; E111-Y113 HydrophobicContact CG-CE2 4.48Å; E111-Y113 PolarHBondContact OE2-OH 2.92Å; E111-K174 WeakPolarHBondContact OE1-CE 3.27Å; E111-K174 IonicContact OE1-NZ 2.69Å; E111-K174 PolarHBondContact OE1-NZ 3.48Å; E111-K174 IonicContact OE2-NZ 3.69Å
112V96.8Very high97Very high3 Ų343.6 Ų43.62%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-124.3133.2176.4-174.30000109.5L8 A102 F105 L106 F114 V173 K174L8-V112 HydrophobicContact CB-CG1 4.37Å; L8-V112 HydrophobicContact CB-CG2 4.39Å; L8-V112 HydrophobicContact CD2-CG1 4.21Å; L8-V112 WeakPolarHBondContact O-CA 3.38Å; A102-V112 HydrophobicContact CB-CG1 4.17Å; F105-V112 HydrophobicContact CB-CG2 3.52Å; F105-V112 HydrophobicContact CG-CG2 4.4Å; L106-V112 HydrophobicContact CD2-CB 4.46Å; L106-V112 HydrophobicContact CD2-CG2 4.03Å; L106-V112 HydrophobicContact CG-CG2 3.89Å; V112-F114 HydrophobicContact CG1-CD1 3.97Å; V112-F114 HydrophobicContact CG1-CE1 3.57Å; V112-F114 HydrophobicContact CG1-CZ 4.38Å; V112-V173 HydrophobicContact CB-CG1 4.16Å; V112-V173 HydrophobicContact CB-CG2 4.21Å; V112-V173 HydrophobicContact CG1-CG1 3.83Å; V112-V173 HydrophobicContact CG1-CG2 4.2Å; V112-V173 WeakPolarHBondContact O-CG1 3.27Å; V112-K174 PolarHBondContact O-N 3.34Å; V112-K174 VanDerWaalsContact O-N 3.1Å
113Y97Very high97Very high13 Ų1345.6 Ų45.65%0.05123%0.232CC..EExtended strand (participates in β ladder)trans-126.3116.5-178.1-64-95.7000110.2A7 L8 I9 V10 E111 K174 L196A7-Y113 HydrophobicContact CB-CD2 4.34Å; A7-Y113 HydrophobicContact CB-CE2 4.22Å; L8-Y113 PolarHBondContact O-N 3.47Å; I9-Y113 CarbonylContact C-O 3.58Å; I9-Y113 WeakPolarHBondContact CA-O 3.14Å; I9-Y113 HydrophobicContact CG1-CD2 4.43Å; V10-Y113 PolarHBondContact N-O 3.26Å; E111-Y113 HydrophobicContact CB-CD2 4.32Å; E111-Y113 HydrophobicContact CB-CE2 3.54Å; E111-Y113 VanDerWaalsContact CD-OH 3.24Å; E111-Y113 HydrophobicContact CG-CE2 4.48Å; E111-Y113 PolarHBondContact OE2-OH 2.92Å; Y113-K174 CarbonylContact C-O 3.5Å; Y113-K174 WeakPolarHBondContact CA-O 3.23Å; Y113-K174 HydrophobicContact CD1-CB 3.67Å; Y113-K174 HydrophobicContact CD1-CD 3.83Å; Y113-K174 HydrophobicContact CD1-CG 4.4Å; Y113-K174 HydrophobicContact CE1-CB 3.96Å; Y113-K174 HydrophobicContact CE1-CD 3.17Å; Y113-K174 HydrophobicContact CE1-CG 4.19Å; Y113-K174 HydrophobicContact CG-CB 4.42Å; Y113-K174 PolarHBondContact OH-NZ 2.99Å; Y113-L196 HydrophobicContact CD1-CD2 3.25Å; Y113-L196 HydrophobicContact CD2-CD2 3.86Å; Y113-L196 HydrophobicContact CE1-CD2 3.23Å; Y113-L196 HydrophobicContact CE1-CG 4.48Å; Y113-L196 HydrophobicContact CE2-CD2 3.88Å; Y113-L196 HydrophobicContact CG-CD2 3.56Å
114F97.8Very high97Very high1 Ų144 Ų440%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-97.1114.6171.4-71.6-2.8000109.7V10 I12 L98 A102 V112 V166 F170 V173 K174 H175 L176V10-F114 HydrophobicContact CB-CD1 3.65Å; V10-F114 HydrophobicContact CB-CE1 3.91Å; V10-F114 HydrophobicContact CG2-CD1 3.72Å; V10-F114 HydrophobicContact CG2-CE1 3.53Å; I12-F114 HydrophobicContact CD1-CB 4.11Å; I12-F114 HydrophobicContact CD1-CD1 4.38Å; I12-F114 HydrophobicContact CD1-CD2 4.09Å; I12-F114 HydrophobicContact CD1-CG 3.94Å; L98-F114 HydrophobicContact CB-CE2 4.16Å; L98-F114 HydrophobicContact CB-CZ 4.06Å; L98-F114 HydrophobicContact CD1-CE2 4.13Å; L98-F114 HydrophobicContact CD2-CE1 4.43Å; L98-F114 HydrophobicContact CD2-CE2 4.35Å; L98-F114 HydrophobicContact CD2-CZ 4.02Å; L98-F114 HydrophobicContact CG-CE2 4.46Å; L98-F114 HydrophobicContact CG-CZ 4.45Å; A102-F114 HydrophobicContact CB-CZ 4.07Å; V112-F114 HydrophobicContact CG1-CD1 3.97Å; V112-F114 HydrophobicContact CG1-CE1 3.57Å; V112-F114 HydrophobicContact CG1-CZ 4.38Å; F114-V166 HydrophobicContact CB-CG1 4.43Å; F114-V166 HydrophobicContact CD2-CG1 4.02Å; F114-F170 HydrophobicContact CD2-CD2 4.14Å; F114-F170 HydrophobicContact CD2-CG 4.22Å; F114-F170 HydrophobicContact CE2-CB 4.28Å; F114-F170 AromaticContact CE2-CD1 3.7Å; F114-F170 HydrophobicContact CE2-CD1 3.7Å; F114-F170 AromaticContact CE2-CD2 3.82Å; F114-F170 HydrophobicContact CE2-CD2 3.82Å; F114-F170 AromaticContact CE2-CE1 3.88Å; F114-F170 HydrophobicContact CE2-CE1 3.88Å; F114-F170 HydrophobicContact CE2-CE2 4.03Å; F114-F170 AromaticContact CE2-CG 3.66Å; F114-F170 HydrophobicContact CE2-CG 3.66Å; F114-F170 HydrophobicContact CE2-CZ 4.07Å; F114-F170 HydrophobicContact CZ-CD1 4.35Å; F114-F170 HydrophobicContact CZ-CE1 4.44Å; F114-V173 HydrophobicContact CB-CG1 4.09Å; F114-V173 HydrophobicContact CD1-CG1 3.75Å; F114-V173 HydrophobicContact CD2-CG1 3.75Å; F114-V173 HydrophobicContact CE1-CG1 4.08Å; F114-V173 HydrophobicContact CE2-CG1 4.08Å; F114-V173 HydrophobicContact CG-CG1 3.58Å; F114-V173 HydrophobicContact CZ-CG1 4.25Å; F114-K174 PolarHBondContact N-O 3.14Å; F114-H175 VanDerWaalsContact O-CA 3.31Å; F114-H175 WeakPolarHBondContact O-CA 3.07Å; F114-H175 PolarHBondContact O-CD2 3.06Å; F114-L176 PolarHBondContact O-N 2.87Å
115V97.9Very high97Very high4 Ų444.3 Ų44.32%0.02422%0.221CC..EExtended strand (participates in β ladder)trans-108.2104.2175.1-176.30000108.9I9 V10 L11 I12 L117 L176 I178 I192I9-V115 HydrophobicContact CG2-CG2 4.25Å; V10-V115 PolarHBondContact O-N 2.88Å; L11-V115 CarbonylContact C-O 3.48Å; L11-V115 WeakPolarHBondContact CA-O 3.26Å; L11-V115 HydrophobicContact CD2-CB 3.73Å; L11-V115 HydrophobicContact CD2-CG1 4.16Å; L11-V115 HydrophobicContact CD2-CG2 4.18Å; I12-V115 PolarHBondContact N-O 3.36Å; V115-L117 HydrophobicContact CG1-CD2 4.11Å; V115-L176 CarbonylContact C-O 3.42Å; V115-L176 VanDerWaalsContact CA-O 3.3Å; V115-L176 WeakPolarHBondContact CA-O 3.39Å; V115-I178 HydrophobicContact CG1-CD1 4.21Å; V115-I192 HydrophobicContact CG1-CD1 3.77Å; V115-I192 HydrophobicContact CG1-CG1 3.83Å; V115-I192 HydrophobicContact CG2-CD1 4.36Å; V115-I192 HydrophobicContact CG2-CG1 4.17Å; V115-I192 HydrophobicContact CG2-CG2 4.12Å
116E98.5Very high96.9Very high1 Ų151.3 Ų51.31%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-84.8116175.3-172.8-173.5166.600110.5V118 E160 S161 H175 L176 K177 I178E116-V118 HydrophobicContact CG-CG2 4.44Å; E116-E160 VanDerWaalsContact OE1-CA 3.25Å; E116-E160 WeakPolarHBondContact OE1-CA 3.34Å; E116-S161 PolarHBondContact OE1-N 3.29Å; E116-S161 VanDerWaalsContact OE2-CB 3.24Å; E116-S161 WeakPolarHBondContact OE2-CB 3.35Å; E116-S161 PolarHBondContact OE2-OG 3.01Å; E116-H175 IonicContact OE2-NE2 3.82Å; E116-L176 PolarHBondContact N-O 2.84Å; E116-K177 HydrophobicContact CB-CB 4.38Å; E116-K177 HydrophobicContact CB-CG 4.19Å; E116-K177 HydrophobicContact CG-CG 4.36Å; E116-K177 CarbonylContact O-C 3.55Å; E116-K177 WeakPolarHBondContact O-CA 3.42Å; E116-K177 VanDerWaalsContact OE1-CE 3.26Å; E116-K177 WeakPolarHBondContact OE1-CE 3.11Å; E116-K177 IonicContact OE1-NZ 3.31Å; E116-K177 PolarHBondContact OE1-NZ 3.29Å; E116-K177 WeakPolarHBondContact OE2-CD 2.98Å; E116-K177 IonicContact OE2-NZ 2.76Å; E116-K177 PolarHBondContact OE2-NZ 2.86Å; E116-I178 PolarHBondContact O-N 3.35Å
117L98.6Very high97Very high0 Ų051.1 Ų51.10%025%0.247CC..EExtended strand (participates in β ladder)trans-93.7131.3172.3-61.1-177.1000110.5I12 V17 K19 V22 V115 I178 V188I12-L117 PolarHBondContact O-N 3.29Å; V17-L117 HydrophobicContact CG1-CB 3.82Å; V17-L117 HydrophobicContact CG2-CB 4.05Å; V17-L117 VanDerWaalsContact CG2-O 3.23Å; V17-L117 WeakPolarHBondContact CG2-O 3.25Å; K19-L117 HydrophobicContact CG-CD1 4.23Å; V22-L117 HydrophobicContact CB-CD1 4.12Å; V22-L117 HydrophobicContact CG1-CD1 4.43Å; V22-L117 HydrophobicContact CG2-CD1 3.86Å; V115-L117 HydrophobicContact CG1-CD2 4.11Å; L117-I178 WeakPolarHBondContact CA-O 3.37Å; L117-I178 HydrophobicContact CD2-CB 4.07Å; L117-V188 HydrophobicContact CD2-CG1 3.77Å
118V98.4Very high96.9Very high14 Ų1443.9 Ų43.99%0.08521%0.213CC..EExtended strand (participates in β ladder)trans-119.9137.4175.1175.70000110E116 E160 K177 I178 N179 N180E116-V118 HydrophobicContact CG-CG2 4.44Å; V118-E160 WeakPolarHBondContact CG1-OE2 3.48Å; V118-E160 HydrophobicContact CG2-CG 4.11Å; V118-K177 VanDerWaalsContact CG2-CE 3.47Å; V118-K177 HydrophobicContact CG2-CG 4.34Å; V118-I178 PolarHBondContact N-O 3.46Å; V118-N179 CarbonylContact O-C 3.5Å; V118-N179 WeakPolarHBondContact O-CA 3.4Å; V118-N179 PolarHBondContact O-OD1 3.47Å; V118-N180 PolarHBondContact O-N 3.3Å; V118-N180 PolarHBondContact O-OD1 3.04Å
119A98.2Very high96.9Very high2 Ų246.1 Ų46.12%0.01722%0.223CC..  trans-147.1145.3172.300000111.3V17 L121 R124 N180 T181V17-A119 HydrophobicContact CG2-CB 3.66Å; V17-A119 VanDerWaalsContact CG2-N 3.34Å; A119-L121 PolarHBondContact O-N 3.49Å; A119-R124 HydrophobicContact CB-CG 4Å; A119-R124 WeakPolarHBondContact O-CD 3.29Å; A119-N180 WeakPolarHBondContact CB-OD1 3.33Å; A119-T181 VanDerWaalsContact CA-OG1 3.31Å; A119-T181 WeakPolarHBondContact CA-OG1 3.28Å
120A98Very high96.9Very high48 Ų4844.2 Ų44.240%0.39721%0.209SC..  trans-53.7140.7175.600000111.8R122 E123 R124 T181A120-R122 PolarHBondContact O-N 2.64Å; A120-E123 WeakPolarHBondContact O-CB 3.46Å; A120-E123 PolarHBondContact O-N 2.94Å; A120-R124 PolarHBondContact O-N 2.95Å; A120-T181 HydrophobicContact CB-CG2 3.72Å; A120-T181 PolarHBondContact N-OG1 2.82Å
121L97.7Very high96.9Very high66 Ų6648.4 Ų48.435%0.34623%0.229SC..Hα-helixtrans-53.8-40.6-178.7179.759.9000112.8A119 E123 R124 L125 I150 L151 A154A119-L121 PolarHBondContact O-N 3.49Å; L121-E123 VanDerWaalsContact C-N 3.31Å; L121-E123 PolarHBondContact O-N 2.92Å; L121-R124 PolarHBondContact O-N 3.23Å; L121-L125 HydrophobicContact CD1-CD1 4.49Å; L121-L125 HydrophobicContact CD1-CG 4.34Å; L121-L125 HydrophobicContact CG-CD1 4.23Å; L121-L125 VanDerWaalsContact O-CG 3.29Å; L121-L125 WeakPolarHBondContact O-CG 3.16Å; L121-L125 PolarHBondContact O-N 3Å; L121-I150 HydrophobicContact CD1-CG2 3.6Å; L121-L151 HydrophobicContact CD2-CD2 4.18Å; L121-A154 HydrophobicContact CD1-CB 4.01Å; L121-A154 HydrophobicContact CD2-CB 4.35Å
122R97.4Very high96.7Very high222 Ų22250.7 Ų50.784%0.83824%0.239SC*.Hα-helixtrans-59.4-43177-175.8177.8179.1171.40.4112A120 L125 K126A120-R122 PolarHBondContact O-N 2.64Å; R122-L125 PolarHBondContact O-N 2.95Å; R122-K126 PolarHBondContact O-N 3.46Å; R122-K126 VanDerWaalsContact O-N 3.08Å
123E97.9Very high96.5Very high45 Ų4552.1 Ų52.121%0.2125%0.245CC..Hα-helixtrans-69.8-40.6179.1-179.657-15700111A120 L121 L125 K126 R127 T181A120-E123 WeakPolarHBondContact O-CB 3.46Å; A120-E123 PolarHBondContact O-N 2.94Å; L121-E123 VanDerWaalsContact C-N 3.31Å; L121-E123 PolarHBondContact O-N 2.92Å; E123-L125 VanDerWaalsContact C-N 3.32Å; E123-L125 PolarHBondContact O-N 3.21Å; E123-K126 WeakPolarHBondContact O-CB 3.22Å; E123-K126 PolarHBondContact O-N 3.05Å; E123-R127 WeakPolarHBondContact O-CG 3.34Å; E123-R127 PolarHBondContact O-N 3.29Å; E123-R127 IonicContact OE1-CZ 2.74Å; E123-R127 IonicContact OE1-NE 3.63Å; E123-R127 PolarHBondContact OE1-NE 2.97Å; E123-R127 IonicContact OE1-NH2 3.13Å; E123-R127 PolarHBondContact OE1-NH2 2.88Å; E123-T181 HydrophobicContact CB-CG2 4.18Å; E123-T181 HydrophobicContact CG-CG2 4.45Å
124R97.7Very high96.3Very high10 Ų1053.4 Ų53.44%0.03825%0.252CS..Hα-helixtrans-58.4-42.3172.5-68.9167.151.8-162.3-2.8112.2S14 Q15 A16 A119 A120 L121 R127 N128S14-R124 WeakPolarHBondContact OG-CD 3.31Å; S14-R124 PolarHBondContact OG-NE 2.83Å; S14-R124 PolarHBondContact OG-NH1 2.92Å; Q15-R124 PolarHBondContact O-NE 3.18Å; A16-R124 HydrophobicContact CB-CB 4.24Å; A16-R124 WeakPolarHBondContact CB-O 3.39Å; A119-R124 HydrophobicContact CB-CG 4Å; A119-R124 WeakPolarHBondContact O-CD 3.29Å; A120-R124 PolarHBondContact O-N 2.95Å; L121-R124 PolarHBondContact O-N 3.23Å; R124-R127 PolarHBondContact O-N 3.41Å; R124-N128 WeakPolarHBondContact O-CB 3.43Å; R124-N128 PolarHBondContact O-N 3.28Å
125L97.5Very high95.8Very high28 Ų2860 Ų6015%0.14728%0.281CS..Hα-helixtrans-64.7-38.7176.7-71.2171.4000112.2L121 R122 E123 N128 R147 I150 L151L121-L125 HydrophobicContact CD1-CD1 4.49Å; L121-L125 HydrophobicContact CD1-CG 4.34Å; L121-L125 HydrophobicContact CG-CD1 4.23Å; L121-L125 VanDerWaalsContact O-CG 3.29Å; L121-L125 WeakPolarHBondContact O-CG 3.16Å; L121-L125 PolarHBondContact O-N 3Å; R122-L125 PolarHBondContact O-N 2.95Å; E123-L125 VanDerWaalsContact C-N 3.32Å; E123-L125 PolarHBondContact O-N 3.21Å; L125-N128 PolarHBondContact O-N 3.42Å; L125-R147 HydrophobicContact CD2-CG 3.98Å; L125-I150 HydrophobicContact CD2-CB 4.24Å; L125-I150 HydrophobicContact CD2-CG2 3.75Å; L125-I150 HydrophobicContact CG-CG2 4.32Å; L125-L151 HydrophobicContact CD1-CD2 4.08Å; L125-L151 HydrophobicContact CD2-CD2 4.37Å; L125-L151 HydrophobicContact CD2-CG 4.4Å
126K96.7Very high95.3Very high148 Ų14861.1 Ų61.164%0.64329%0.291SS*.Hα-helixtrans-63.3-48.9172.6-179.6-172.5171.9-168.40111.2R122 E123 N128 V129R122-K126 PolarHBondContact O-N 3.46Å; R122-K126 VanDerWaalsContact O-N 3.08Å; E123-K126 WeakPolarHBondContact O-CB 3.22Å; E123-K126 PolarHBondContact O-N 3.05Å; K126-N128 PolarHBondContact O-N 3.41Å; K126-V129 WeakPolarHBondContact O-CG2 3.27Å; K126-V129 PolarHBondContact O-N 3.48Å
127R96.6Very high94.7Very high52 Ų5261.8 Ų61.820%0.19629%0.294CS..Hα-helixtrans-63.5-26177.3-68.2173.2-173.1178.52.2112.8A16 V17 E123 R124 V129 H130 R133 N180 T181A16-R127 HydrophobicContact CB-CB 4.33Å; A16-R127 WeakPolarHBondContact O-CD 3.35Å; V17-R127 PolarHBondContact O-NH1 2.82Å; E123-R127 WeakPolarHBondContact O-CG 3.34Å; E123-R127 PolarHBondContact O-N 3.29Å; E123-R127 IonicContact OE1-CZ 2.74Å; E123-R127 IonicContact OE1-NE 3.63Å; E123-R127 PolarHBondContact OE1-NE 2.97Å; E123-R127 IonicContact OE1-NH2 3.13Å; E123-R127 PolarHBondContact OE1-NH2 2.88Å; R124-R127 PolarHBondContact O-N 3.41Å; R127-V129 PolarHBondContact O-N 3.49Å; R127-H130 WeakPolarHBondContact O-CB 3.34Å; R127-H130 PolarHBondContact O-N 2.98Å; R127-R133 VanDerWaalsContact O-CD 3.3Å; R127-R133 WeakPolarHBondContact O-CD 3.49Å; R127-N180 PolarHBondContact NH1-OD1 3.01Å; R127-N180 PolarHBondContact NH2-O 3.44Å; R127-T181 PolarHBondContact NH2-O 2.88Å
128N95.7Very high94.1Very high2 Ų264.9 Ų64.91%0.01131%0.314CS..Hα-helixtrans-64.1-29.5-176-172.360.7000113.6A16 R124 L125 K126 R133 S146 I150A16-N128 HydrophobicContact CB-CB 4.18Å; R124-N128 WeakPolarHBondContact O-CB 3.43Å; R124-N128 PolarHBondContact O-N 3.28Å; L125-N128 PolarHBondContact O-N 3.42Å; K126-N128 PolarHBondContact O-N 3.41Å; N128-R133 WeakPolarHBondContact O-CD 3.33Å; N128-R133 PolarHBondContact OD1-NE 3.18Å; N128-R133 PolarHBondContact OD1-NH2 3.38Å; N128-S146 PolarHBondContact ND2-OG 3.49Å; N128-I150 HydrophobicContact CB-CD1 3.53Å; N128-I150 WeakPolarHBondContact OD1-CD1 3.22Å
129V94.7Very high93.4Very high81 Ų8165.6 Ų65.649%0.49132%0.32SS..THydrogen-bonded Turntrans-100.88.4-179-60.40000112.8K126 R127 T143K126-V129 WeakPolarHBondContact O-CG2 3.27Å; K126-V129 PolarHBondContact O-N 3.48Å; R127-V129 PolarHBondContact O-N 3.49Å; V129-T143 HydrophobicContact CG1-CG2 4Å
130H94.6Very high92.9Very high104 Ų10467.1 Ų67.148%0.48133%0.326SS..  trans-65.1137.6178.5-167.9-96.3000111.2R127 E132 R133 L134R127-H130 WeakPolarHBondContact O-CB 3.34Å; R127-H130 PolarHBondContact O-N 2.98Å; H130-E132 VanDerWaalsContact C-N 3.35Å; H130-E132 IonicContact CE1-OE2 3.52Å; H130-E132 PolarHBondContact ND1-N 2.87Å; H130-E132 IonicContact ND1-OE2 3.31Å; H130-E132 PolarHBondContact O-N 3.14Å; H130-R133 WeakPolarHBondContact O-CB 3.31Å; H130-R133 PolarHBondContact O-N 3.08Å; H130-L134 PolarHBondContact O-N 3.4Å
131E93.1Very high92.6Very high122 Ų12272.1 Ų72.157%0.5733%0.334SS*.Hα-helixtrans-54.7-46.6-172.7-170.2-171.7156.300112.9R133 L134 K135E131-R133 PolarHBondContact O-N 3.37Å; E131-L134 PolarHBondContact O-N 3.46Å; E131-L134 VanDerWaalsContact O-N 3.12Å; E131-K135 HydrophobicContact CG-CD 4.28Å; E131-K135 PolarHBondContact O-N 3.23Å; E131-K135 WeakPolarHBondContact OE1-CE 3.45Å; E131-K135 IonicContact OE1-NZ 2.86Å; E131-K135 PolarHBondContact OE1-NZ 3.4Å
132E90.9Very high92.3Very high98 Ų9873.4 Ų73.446%0.45834%0.341SS..Hα-helixtrans-58.5-35.2178.4-65.3-172.314200113H130 A136H130-E132 VanDerWaalsContact C-N 3.35Å; H130-E132 IonicContact CE1-OE2 3.52Å; H130-E132 PolarHBondContact ND1-N 2.87Å; H130-E132 IonicContact ND1-OE2 3.31Å; H130-E132 PolarHBondContact O-N 3.14Å; E132-A136 VanDerWaalsContact O-CB 3.25Å; E132-A136 WeakPolarHBondContact O-CB 3.49Å; E132-A136 PolarHBondContact O-N 3.24Å
133R91.8Very high92Very high33 Ų3365.6 Ų65.613%0.12532%0.318CS..Hα-helixtrans-71.1-40.6179179.2-179171.386.8-3.3110.8R127 N128 H130 E131 K135 A136 K137R127-R133 VanDerWaalsContact O-CD 3.3Å; R127-R133 WeakPolarHBondContact O-CD 3.49Å; N128-R133 WeakPolarHBondContact O-CD 3.33Å; N128-R133 PolarHBondContact OD1-NE 3.18Å; N128-R133 PolarHBondContact OD1-NH2 3.38Å; H130-R133 WeakPolarHBondContact O-CB 3.31Å; H130-R133 PolarHBondContact O-N 3.08Å; E131-R133 PolarHBondContact O-N 3.37Å; R133-K135 VanDerWaalsContact C-N 3.35Å; R133-A136 PolarHBondContact O-N 3.15Å; R133-K137 WeakPolarHBondContact O-CB 3.28Å; R133-K137 PolarHBondContact O-N 2.74Å
134L91.7Very high91.9Very high40 Ų4072 Ų7221%0.20935%0.345CS..Hα-helixtrans-70-33.3178.6-57.9-178.5000112H130 E131 K140 R141 T143H130-L134 PolarHBondContact O-N 3.4Å; E131-L134 PolarHBondContact O-N 3.46Å; E131-L134 VanDerWaalsContact O-N 3.12Å; L134-K140 HydrophobicContact CD2-CB 4.42Å; L134-K140 WeakPolarHBondContact CD2-O 3.2Å; L134-R141 PolarHBondContact O-NE 2.8Å; L134-T143 HydrophobicContact CD1-CG2 4.37Å; L134-T143 HydrophobicContact CD2-CG2 4.15Å
135K88.8Confident91.6Very high139 Ų13976.3 Ų76.360%0.60437%0.365SS*.Hα-helixtrans-65.9-51.1171.1-77.1176.6169.1171.60111.4E131 R133 K137E131-K135 HydrophobicContact CG-CD 4.28Å; E131-K135 PolarHBondContact O-N 3.23Å; E131-K135 WeakPolarHBondContact OE1-CE 3.45Å; E131-K135 IonicContact OE1-NZ 2.86Å; E131-K135 PolarHBondContact OE1-NZ 3.4Å; R133-K135 VanDerWaalsContact C-N 3.35Å; K135-K137 PolarHBondContact O-N 2.88Å
136A86.4Confident91.5Very high29 Ų2975.1 Ų75.124%0.2436%0.359CS..Hα-helixtrans-75.2-20-17400000114.9M20 E132 R133M20-A136 HydrophobicContact CE-CB 3.86Å; M20-A136 HydrophobicContact SD-CB 3.57Å; M20-A136 VanDerWaalsContact SD-CB 3.57Å; E132-A136 VanDerWaalsContact O-CB 3.25Å; E132-A136 WeakPolarHBondContact O-CB 3.49Å; E132-A136 PolarHBondContact O-N 3.24Å; R133-A136 PolarHBondContact O-N 3.15Å
137K86.6Confident91.5Very high15 Ų1574.1 Ų74.17%0.06535%0.351CS..  trans-133.190.5-176.2-60-174.2176.4-168.50110.5H38 R133 K135 S139 K140H38-K137 HydrophobicContact CB-CG 4.48Å; H38-K137 PolarHBondContact CD2-NZ 2.84Å; R133-K137 WeakPolarHBondContact O-CB 3.28Å; R133-K137 PolarHBondContact O-N 2.74Å; K135-K137 PolarHBondContact O-N 2.88Å; K137-S139 PolarHBondContact O-N 3.25Å; K137-S139 VanDerWaalsContact O-N 3.16Å; K137-K140 HydrophobicContact CB-CB 4.26Å; K137-K140 HydrophobicContact CB-CG 3.73Å; K137-K140 HydrophobicContact CD-CG 4.36Å; K137-K140 PolarHBondContact O-N 2.92Å
138P84.9Confident91.4Very high65 Ų6578.3 Ų78.342%0.42237%0.371SS..G310 helixtrans-51.9-39.6-177.7-28.235.6000113.7K140 R141P138-K140 PolarHBondContact O-N 2.94Å; P138-R141 WeakPolarHBondContact O-CB 3.43Å; P138-R141 VanDerWaalsContact O-CG 3.28Å; P138-R141 WeakPolarHBondContact O-CG 3.36Å; P138-R141 PolarHBondContact O-N 3.14Å
139S84.2Confident91.4Very high29 Ų2982 Ų8220%0.20339%0.388CS..G310 helixtrans-65.8-5.5177.961.60000115.7Y50 K137Y50-S139 WeakPolarHBondContact OH-CB 3.44Å; Y50-S139 PolarHBondContact OH-OG 3.1Å; K137-S139 PolarHBondContact O-N 3.25Å; K137-S139 VanDerWaalsContact O-N 3.16Å
140K88.3Confident91.5Very high34 Ų3478.2 Ų78.215%0.14837%0.365CS..G310 helixtrans-102-1.8176.2-50.2-54165.5-156.60113.1L134 K137 P138 D142L134-K140 HydrophobicContact CD2-CB 4.42Å; L134-K140 WeakPolarHBondContact CD2-O 3.2Å; K137-K140 HydrophobicContact CB-CB 4.26Å; K137-K140 HydrophobicContact CB-CG 3.73Å; K137-K140 HydrophobicContact CD-CG 4.36Å; K137-K140 PolarHBondContact O-N 2.92Å; P138-K140 PolarHBondContact O-N 2.94Å; K140-D142 VanDerWaalsContact C-N 3.28Å; K140-D142 CarbonylContact O-C 3.6Å; K140-D142 PolarHBondContact O-N 3.32Å
141R90.5Very high91.6Very high153 Ų15375.6 Ų75.658%0.57735%0.354SS*.SBendtrans-64.8-30.1175.8-65.7174.7-172.3166.33.7112.7L134 P138 T143L134-R141 PolarHBondContact O-NE 2.8Å; P138-R141 WeakPolarHBondContact O-CB 3.43Å; P138-R141 VanDerWaalsContact O-CG 3.28Å; P138-R141 WeakPolarHBondContact O-CG 3.36Å; P138-R141 PolarHBondContact O-N 3.14Å; R141-T143 VanDerWaalsContact C-N 3.32Å; R141-T143 PolarHBondContact O-N 2.71Å
142D91.6Very high91.8Very high92 Ų9272 Ų7249%0.49234%0.341SS..  trans-72.892.3160.4-172-19.4000109.2K140 K144 F145 S146K140-D142 VanDerWaalsContact C-N 3.28Å; K140-D142 CarbonylContact O-C 3.6Å; K140-D142 PolarHBondContact O-N 3.32Å; D142-K144 VanDerWaalsContact C-N 3.29Å; D142-K144 PolarHBondContact O-N 3.34Å; D142-K144 PolarHBondContact OD1-N 3.09Å; D142-F145 HydrophobicContact CB-CB 3.89Å; D142-F145 PolarHBondContact OD1-N 3.35Å; D142-F145 WeakPolarHBondContact OD2-CB 3.36Å; D142-S146 WeakPolarHBondContact O-CB 3.35Å; D142-S146 PolarHBondContact O-N 3.01Å; D142-S146 PolarHBondContact O-OG 3.4Å
143T93Very high92.1Very high58 Ų5867.8 Ų67.836%0.35632%0.322SS..Hα-helixtrans-69.8-26.8-178.257.80000112.4V129 L134 R141 S146 R147V129-T143 HydrophobicContact CG1-CG2 4Å; L134-T143 HydrophobicContact CD1-CG2 4.37Å; L134-T143 HydrophobicContact CD2-CG2 4.15Å; R141-T143 VanDerWaalsContact C-N 3.32Å; R141-T143 PolarHBondContact O-N 2.71Å; T143-S146 WeakPolarHBondContact CA-OG 3.4Å; T143-S146 PolarHBondContact O-OG 3.13Å; T143-R147 WeakPolarHBondContact O-CB 3.41Å; T143-R147 PolarHBondContact O-N 3.39Å
144K94.5Very high92.2Very high179 Ų17968.2 Ų68.278%0.77833%0.332SS*.Hα-helixtrans-71.5-48.5175.5-72.8-179.1177.6176.30110.2D142 R147 K148D142-K144 VanDerWaalsContact C-N 3.29Å; D142-K144 PolarHBondContact O-N 3.34Å; D142-K144 PolarHBondContact OD1-N 3.09Å; K144-R147 PolarHBondContact O-N 2.97Å; K144-K148 PolarHBondContact O-N 3.48Å
145F92.4Very high92.4Very high101 Ų10176.5 Ų76.544%0.44336%0.361SS..Hα-helixtrans-60.5-52.9175.6-179.3-97.4000111.1D142 R147 K148 E149D142-F145 HydrophobicContact CB-CB 3.89Å; D142-F145 PolarHBondContact OD1-N 3.35Å; D142-F145 WeakPolarHBondContact OD2-CB 3.36Å; F145-R147 VanDerWaalsContact C-N 3.3Å; F145-R147 PolarHBondContact O-N 3.37Å; F145-K148 WeakPolarHBondContact O-CB 3.11Å; F145-K148 PolarHBondContact O-N 3.06Å; F145-E149 HydrophobicContact CD1-CG 4.03Å; F145-E149 HydrophobicContact CE1-CG 3.63Å; F145-E149 HydrophobicContact CE2-CG 4.44Å; F145-E149 HydrophobicContact CZ-CG 3.86Å; F145-E149 WeakPolarHBondContact O-CG 3.41Å; F145-E149 PolarHBondContact O-N 3.46Å
146S93.8Very high92.8Very high3 Ų377.9 Ų77.92%0.02137%0.367CS..Hα-helixtrans-64.2-31.7-178.560.40000113.7N128 D142 T143 I150N128-S146 PolarHBondContact ND2-OG 3.49Å; D142-S146 WeakPolarHBondContact O-CB 3.35Å; D142-S146 PolarHBondContact O-N 3.01Å; D142-S146 PolarHBondContact O-OG 3.4Å; T143-S146 WeakPolarHBondContact CA-OG 3.4Å; T143-S146 PolarHBondContact O-OG 3.13Å; S146-I150 WeakPolarHBondContact O-CG1 3.43Å; S146-I150 PolarHBondContact O-N 2.87Å; S146-I150 VanDerWaalsContact O-N 3.12Å
147R96.6Very high93.3Very high128 Ų12879.5 Ų79.548%0.48337%0.372SS..Hα-helixtrans-64.7-46.2169.9176175.7-17796.20111.6L125 T143 K144 F145 E149 I150 L151L125-R147 HydrophobicContact CD2-CG 3.98Å; T143-R147 WeakPolarHBondContact O-CB 3.41Å; T143-R147 PolarHBondContact O-N 3.39Å; K144-R147 PolarHBondContact O-N 2.97Å; F145-R147 VanDerWaalsContact C-N 3.3Å; F145-R147 PolarHBondContact O-N 3.37Å; R147-E149 VanDerWaalsContact C-N 3.28Å; R147-E149 PolarHBondContact O-N 2.89Å; R147-I150 PolarHBondContact O-N 3.1Å; R147-L151 HydrophobicContact CG-CD1 4.06Å; R147-L151 WeakPolarHBondContact O-CG 3.38Å; R147-L151 PolarHBondContact O-N 2.89Å
148K96.4Very high93.9Very high139 Ų13980.7 Ų80.760%0.60438%0.376SS*.Hα-helixtrans-59.3-42.1177.1-176.9-178176.2-175.10110.9K144 F145 L151 T152K144-K148 PolarHBondContact O-N 3.48Å; F145-K148 WeakPolarHBondContact O-CB 3.11Å; F145-K148 PolarHBondContact O-N 3.06Å; K148-L151 PolarHBondContact O-N 2.7Å; K148-T152 VanDerWaalsContact O-CB 3.27Å; K148-T152 WeakPolarHBondContact O-CB 3.3Å; K148-T152 PolarHBondContact O-N 2.77Å; K148-T152 PolarHBondContact O-OG1 2.92Å
149E94.5Very high94.5Very high81 Ų8178.2 Ų78.238%0.37936%0.359SS..Hα-helixtrans-60.1-48.1176.2-71.5-63.4100.500112F145 R147 L151 T152 S153F145-E149 HydrophobicContact CD1-CG 4.03Å; F145-E149 HydrophobicContact CE1-CG 3.63Å; F145-E149 HydrophobicContact CE2-CG 4.44Å; F145-E149 HydrophobicContact CZ-CG 3.86Å; F145-E149 WeakPolarHBondContact O-CG 3.41Å; F145-E149 PolarHBondContact O-N 3.46Å; R147-E149 VanDerWaalsContact C-N 3.28Å; R147-E149 PolarHBondContact O-N 2.89Å; E149-L151 VanDerWaalsContact C-N 3.34Å; E149-L151 PolarHBondContact O-N 3.25Å; E149-T152 PolarHBondContact O-N 2.86Å; E149-S153 WeakPolarHBondContact O-CB 3.34Å; E149-S153 PolarHBondContact O-N 3.31Å; E149-S153 PolarHBondContact O-OG 3.07Å
150I96.6Very high95.2Very high1 Ų180.5 Ų80.51%0.00537%0.366CS..Hα-helixtrans-59-44.8176.8-73.3172.2000111.8Q15 A16 L121 L125 N128 S146 R147 S153 A154Q15-I150 HydrophobicContact CB-CD1 4.5Å; Q15-I150 HydrophobicContact CB-CG1 3.89Å; A16-I150 HydrophobicContact CB-CD1 4.02Å; L121-I150 HydrophobicContact CD1-CG2 3.6Å; L125-I150 HydrophobicContact CD2-CB 4.24Å; L125-I150 HydrophobicContact CD2-CG2 3.75Å; L125-I150 HydrophobicContact CG-CG2 4.32Å; N128-I150 HydrophobicContact CB-CD1 3.53Å; N128-I150 WeakPolarHBondContact OD1-CD1 3.22Å; S146-I150 WeakPolarHBondContact O-CG1 3.43Å; S146-I150 PolarHBondContact O-N 2.87Å; S146-I150 VanDerWaalsContact O-N 3.12Å; R147-I150 PolarHBondContact O-N 3.1Å; I150-S153 PolarHBondContact O-OG 3.2Å; I150-A154 WeakPolarHBondContact O-CB 3.48Å; I150-A154 PolarHBondContact O-N 3.43Å
151L97.7Very high95.6Very high49 Ų4979.4 Ų79.426%0.25736%0.363SS..Hα-helixtrans-69.6-36.5-179.4-69.1173.5000111.9L121 L125 R147 K148 E149 R155L121-L151 HydrophobicContact CD2-CD2 4.18Å; L125-L151 HydrophobicContact CD1-CD2 4.08Å; L125-L151 HydrophobicContact CD2-CD2 4.37Å; L125-L151 HydrophobicContact CD2-CG 4.4Å; R147-L151 HydrophobicContact CG-CD1 4.06Å; R147-L151 WeakPolarHBondContact O-CG 3.38Å; R147-L151 PolarHBondContact O-N 2.89Å; K148-L151 PolarHBondContact O-N 2.7Å; E149-L151 VanDerWaalsContact C-N 3.34Å; E149-L151 PolarHBondContact O-N 3.25Å; L151-R155 WeakPolarHBondContact O-CG 3.38Å; L151-R155 PolarHBondContact O-N 2.92Å
152T97.1Very high96Very high47 Ų4779.6 Ų79.629%0.28836%0.364SS..Hα-helixtrans-69.6-48.5178.9-58.20000110.3K148 E149 A154 R155 K156K148-T152 VanDerWaalsContact O-CB 3.27Å; K148-T152 WeakPolarHBondContact O-CB 3.3Å; K148-T152 PolarHBondContact O-N 2.77Å; K148-T152 PolarHBondContact O-OG1 2.92Å; E149-T152 PolarHBondContact O-N 2.86Å; T152-A154 VanDerWaalsContact C-N 3.35Å; T152-A154 PolarHBondContact O-N 2.87Å; T152-R155 PolarHBondContact O-N 3.49Å; T152-R155 VanDerWaalsContact O-N 3.1Å; T152-K156 HydrophobicContact CG2-CD 3.82Å; T152-K156 HydrophobicContact CG2-CG 4.34Å; T152-K156 WeakPolarHBondContact O-CB 3.35Å; T152-K156 PolarHBondContact O-N 2.92Å
153S95.9Very high96.2Very high8 Ų883.5 Ų83.56%0.05638%0.379CS..Hα-helixtrans-65.7-37.8-18071.40000112.4Q15 E149 I150 R155 K156 N157Q15-S153 PolarHBondContact OE1-OG 2.85Å; E149-S153 WeakPolarHBondContact O-CB 3.34Å; E149-S153 PolarHBondContact O-N 3.31Å; E149-S153 PolarHBondContact O-OG 3.07Å; I150-S153 PolarHBondContact O-OG 3.2Å; S153-R155 PolarHBondContact O-N 3.12Å; S153-R155 VanDerWaalsContact O-N 3.14Å; S153-K156 PolarHBondContact O-N 3.39Å; S153-N157 WeakPolarHBondContact CA-OD1 3.16Å; S153-N157 WeakPolarHBondContact O-CB 3.25Å; S153-N157 PolarHBondContact O-N 3.4Å
154A95.4Very high96.3Very high42 Ų4285 Ų8535%0.34739%0.385SS..Hα-helixtrans-63.2-17.817500000113.9L121 I150 T152L121-A154 HydrophobicContact CD1-CB 4.01Å; L121-A154 HydrophobicContact CD2-CB 4.35Å; I150-A154 WeakPolarHBondContact O-CB 3.48Å; I150-A154 PolarHBondContact O-N 3.43Å; T152-A154 VanDerWaalsContact C-N 3.35Å; T152-A154 PolarHBondContact O-N 2.87Å
155R96.1Very high96.4Very high215 Ų21577.9 Ų77.981%0.81135%0.354SS*.Hα-helixtrans-98.6-34.7176.1-69.5174.5-178.2-179.4-0.5113L151 T152 S153L151-R155 WeakPolarHBondContact O-CG 3.38Å; L151-R155 PolarHBondContact O-N 2.92Å; T152-R155 PolarHBondContact O-N 3.49Å; T152-R155 VanDerWaalsContact O-N 3.1Å; S153-R155 PolarHBondContact O-N 3.12Å; S153-R155 VanDerWaalsContact O-N 3.14Å
156K96.9Very high96.7Very high167 Ų16773.2 Ų73.273%0.72633%0.334SS*.Hα-helixtrans-101-23-168.9-68.3-169176.4-173.30114.4T152 S153T152-K156 HydrophobicContact CG2-CD 3.82Å; T152-K156 HydrophobicContact CG2-CG 4.34Å; T152-K156 WeakPolarHBondContact O-CB 3.35Å; T152-K156 PolarHBondContact O-N 2.92Å; S153-K156 PolarHBondContact O-N 3.39Å
157N97.5Very high96.8Very high64 Ų6479.8 Ų79.834%0.34236%0.362SS..SBendtrans-121.6150.1-171.7-56.8103.8000110.3D88 S153 L159D88-N157 HydrophobicContact CB-CB 4.39Å; D88-N157 WeakPolarHBondContact OD2-CB 3.4Å; D88-N157 PolarHBondContact OD2-ND2 2.85Å; S153-N157 WeakPolarHBondContact CA-OD1 3.16Å; S153-N157 WeakPolarHBondContact O-CB 3.25Å; S153-N157 PolarHBondContact O-N 3.4Å; N157-L159 HydrophobicContact CB-CD2 3.67Å; N157-L159 HydrophobicContact CB-CG 3.9Å; N157-L159 PolarHBondContact O-N 3.01Å
158R97.8Very high96.9Very high39 Ų3981.8 Ų81.815%0.14737%0.374CS..  trans-97.283.7174.4-170.5168.563.385.5-7.3109.4D88 F89 D90 E160 E165D88-R158 PolarHBondContact OD1-N 2.89Å; F89-R158 VanDerWaalsContact C-NH2 3.33Å; F89-R158 VanDerWaalsContact CB-NH2 3.31Å; F89-R158 WeakPolarHBondContact CD2-O 3.31Å; F89-R158 PolarHBondContact N-O 2.83Å; F89-R158 PolarHBondContact O-NH2 3.28Å; D90-R158 VanDerWaalsContact CG-NE 3.29Å; D90-R158 IonicContact OD1-CZ 3.9Å; D90-R158 VanDerWaalsContact OD1-CZ 3.25Å; D90-R158 IonicContact OD1-NE 2.62Å; D90-R158 PolarHBondContact OD1-NE 2.77Å; D90-R158 IonicContact OD1-NH2 3.66Å; D90-R158 PolarHBondContact OD1-NH2 2.77Å; D90-R158 VanDerWaalsContact OD2-CB 3.31Å; D90-R158 WeakPolarHBondContact OD2-CB 3.34Å; D90-R158 IonicContact OD2-NE 3.76Å; D90-R158 PolarHBondContact OD2-NE 2.9Å; R158-E160 WeakPolarHBondContact CG-O 3.48Å; R158-E160 PolarHBondContact O-N 3.23Å; R158-E165 IonicContact CZ-OE1 2.58Å; R158-E165 VanDerWaalsContact CZ-OE1 3.31Å; R158-E165 IonicContact CZ-OE2 3.98Å; R158-E165 VanDerWaalsContact NH1-CD 3.29Å; R158-E165 IonicContact NH1-OE1 2.76Å; R158-E165 PolarHBondContact NH1-OE1 2.99Å; R158-E165 VanDerWaalsContact NH1-OE1 3.13Å; R158-E165 IonicContact NH1-OE2 2.71Å; R158-E165 PolarHBondContact NH1-OE2 3.12Å; R158-E165 IonicContact NH2-OE1 3.34Å; R158-E165 PolarHBondContact NH2-OE1 2.93Å; R158-E165 IonicContact NH2-OE2 3.79Å
159L97.8Very high96.9Very high14 Ų1478.3 Ų78.37%0.07336%0.362CS..  trans-87.615.8-176.5-53.6-175.3000114.2V86 I87 D88 N157V86-L159 HydrophobicContact CG1-CD1 4.29Å; V86-L159 HydrophobicContact CG1-CD2 3.91Å; I87-L159 WeakPolarHBondContact O-CD2 3.42Å; D88-L159 HydrophobicContact CB-CD2 4.07Å; N157-L159 HydrophobicContact CB-CD2 3.67Å; N157-L159 HydrophobicContact CB-CG 3.9Å; N157-L159 PolarHBondContact O-N 3.01Å
160E98Very high97.1Very high77 Ų7775 Ų7536%0.3635%0.346SS..SBendtrans-138.4134.6175.6-62.7-176.1-159.800108.4E116 V118 R158E116-E160 VanDerWaalsContact OE1-CA 3.25Å; E116-E160 WeakPolarHBondContact OE1-CA 3.34Å; V118-E160 WeakPolarHBondContact CG1-OE2 3.48Å; V118-E160 HydrophobicContact CG2-CG 4.11Å; R158-E160 WeakPolarHBondContact CG-O 3.48Å; R158-E160 PolarHBondContact O-N 3.23Å
161S98.1Very high97.1Very high11 Ų1180.2 Ų80.28%0.07738%0.381CS..PPolyproline II helixtrans-69.9154.2178.3720000111.3F89 E116 E165 K177F89-S161 VanDerWaalsContact CE2-N 3.29Å; E116-S161 PolarHBondContact OE1-N 3.29Å; E116-S161 VanDerWaalsContact OE2-CB 3.24Å; E116-S161 WeakPolarHBondContact OE2-CB 3.35Å; E116-S161 PolarHBondContact OE2-OG 3.01Å; S161-E165 VanDerWaalsContact CA-OE2 3.28Å; S161-E165 WeakPolarHBondContact CA-OE2 3.35Å; S161-K177 PolarHBondContact O-NZ 3.41Å; S161-K177 PolarHBondContact OG-NZ 2.89Å; S161-K177 VanDerWaalsContact OG-NZ 3.08Å
162R97.8Very high97Very high157 Ų15781.4 Ų81.459%0.59240%0.397SS*.PPolyproline II helixtrans-76.5163.3165.1-64.6174.9-177151.63.8109.9N164 E165R162-N164 PolarHBondContact O-N 3.47Å; R162-E165 HydrophobicContact CB-CB 4.12Å; R162-E165 PolarHBondContact N-OE2 3.22Å; R162-E165 VanDerWaalsContact O-CB 3.27Å; R162-E165 WeakPolarHBondContact O-CB 3.26Å; R162-E165 PolarHBondContact O-N 2.97Å
163E96Very high97Very high173 Ų17379.8 Ų79.881%0.80839%0.387SS*.THydrogen-bonded Turntrans-53130.4176.1-163.8-173.6165.800111.3E165E163-E165 PolarHBondContact O-N 3.26Å
164N94.8Very high96.9Very high90 Ų9084 Ų8448%0.48141%0.405SS..THydrogen-bonded Turntrans59.64.4-178-59-55.3000116.3R162 K167 K168R162-N164 PolarHBondContact O-N 3.47Å; N164-K167 PolarHBondContact O-N 3.49Å; N164-K168 WeakPolarHBondContact O-CG 3.41Å; N164-K168 PolarHBondContact O-N 3.18Å
165E98Very high96.9Very high29 Ų2985.1 Ų85.114%0.13640%0.403CS..Hα-helixtrans-65.2-47.6-175.6-178.9178.9-138.600112.2R158 S161 R162 E163 K167 K168 L169R158-E165 IonicContact CZ-OE1 2.58Å; R158-E165 VanDerWaalsContact CZ-OE1 3.31Å; R158-E165 IonicContact CZ-OE2 3.98Å; R158-E165 VanDerWaalsContact NH1-CD 3.29Å; R158-E165 IonicContact NH1-OE1 2.76Å; R158-E165 PolarHBondContact NH1-OE1 2.99Å; R158-E165 VanDerWaalsContact NH1-OE1 3.13Å; R158-E165 IonicContact NH1-OE2 2.71Å; R158-E165 PolarHBondContact NH1-OE2 3.12Å; R158-E165 IonicContact NH2-OE1 3.34Å; R158-E165 PolarHBondContact NH2-OE1 2.93Å; R158-E165 IonicContact NH2-OE2 3.79Å; S161-E165 VanDerWaalsContact CA-OE2 3.28Å; S161-E165 WeakPolarHBondContact CA-OE2 3.35Å; R162-E165 HydrophobicContact CB-CB 4.12Å; R162-E165 PolarHBondContact N-OE2 3.22Å; R162-E165 VanDerWaalsContact O-CB 3.27Å; R162-E165 WeakPolarHBondContact O-CB 3.26Å; R162-E165 PolarHBondContact O-N 2.97Å; E163-E165 PolarHBondContact O-N 3.26Å; E165-K167 VanDerWaalsContact C-N 3.3Å; E165-K167 PolarHBondContact O-N 3.48Å; E165-K168 PolarHBondContact O-N 2.62Å; E165-K168 VanDerWaalsContact O-N 3.09Å; E165-L169 HydrophobicContact CG-CD1 3.85Å; E165-L169 HydrophobicContact CG-CG 4.35Å; E165-L169 WeakPolarHBondContact O-CG 3.43Å; E165-L169 PolarHBondContact O-N 2.97Å
166V97.8Very high96.9Very high3 Ų376.7 Ų76.72%0.01837%0.373CS..Hα-helixtrans-60.5-42.5178.8179.80000110.6F89 F114 K168 L169 F170 H175F89-V166 HydrophobicContact CE1-CG2 3.7Å; F89-V166 HydrophobicContact CZ-CG2 3.93Å; F114-V166 HydrophobicContact CB-CG1 4.43Å; F114-V166 HydrophobicContact CD2-CG1 4.02Å; V166-K168 VanDerWaalsContact C-N 3.29Å; V166-K168 PolarHBondContact O-N 2.55Å; V166-L169 PolarHBondContact O-N 2.97Å; V166-F170 HydrophobicContact CG1-CD2 3.98Å; V166-F170 WeakPolarHBondContact O-CD2 3.29Å; V166-F170 PolarHBondContact O-N 3.34Å; V166-H175 HydrophobicContact CG1-CB 3.94Å; V166-H175 WeakPolarHBondContact CG1-CD2 3.35Å
167K96.1Very high97Very high142 Ų14272.7 Ų72.762%0.61736%0.356SS*.Hα-helixtrans-62.1-35.1176.6-174.7175.5-179.3175.80112.6N164 E165 P171N164-K167 PolarHBondContact O-N 3.49Å; E165-K167 VanDerWaalsContact C-N 3.3Å; E165-K167 PolarHBondContact O-N 3.48Å; K167-P171 WeakPolarHBondContact O-CA 3.37Å
168K97.7Very high97Very high169 Ų16969.9 Ų69.974%0.73534%0.341SS*.Hα-helixtrans-73.9-41.2177-73.2174.9-179.2179.40112.3N164 E165 V166N164-K168 WeakPolarHBondContact O-CG 3.41Å; N164-K168 PolarHBondContact O-N 3.18Å; E165-K168 PolarHBondContact O-N 2.62Å; E165-K168 VanDerWaalsContact O-N 3.09Å; V166-K168 VanDerWaalsContact C-N 3.29Å; V166-K168 PolarHBondContact O-N 2.55Å
169L98Very high97Very high66 Ų6672.7 Ų72.735%0.34636%0.359SS..Hα-helixtrans-72.4-32.8179.6-69.7174000112.3I95 E165 V166I95-L169 HydrophobicContact CD1-CD1 4.05Å; E165-L169 HydrophobicContact CG-CD1 3.85Å; E165-L169 HydrophobicContact CG-CG 4.35Å; E165-L169 WeakPolarHBondContact O-CG 3.43Å; E165-L169 PolarHBondContact O-N 2.97Å; V166-L169 PolarHBondContact O-N 2.97Å
170F97.9Very high97Very high12 Ų1272.2 Ų72.25%0.05336%0.356CS..  trans-132.267-173.3-51.5-85.4000111.2I95 L98 Q99 F114 V166 A172 V173I95-F170 HydrophobicContact CG2-CZ 4.19Å; L98-F170 HydrophobicContact CB-CE1 3.69Å; L98-F170 HydrophobicContact CB-CZ 3.52Å; L98-F170 HydrophobicContact CD1-CE2 4.06Å; L98-F170 HydrophobicContact CD1-CZ 3.78Å; L98-F170 HydrophobicContact CG-CZ 4.35Å; Q99-F170 HydrophobicContact CB-CE1 4.34Å; Q99-F170 HydrophobicContact CG-CD1 4.22Å; Q99-F170 HydrophobicContact CG-CE1 3.49Å; Q99-F170 VanDerWaalsContact CG-CE1 3.49Å; Q99-F170 HydrophobicContact CG-CZ 4.25Å; F114-F170 HydrophobicContact CD2-CD2 4.14Å; F114-F170 HydrophobicContact CD2-CG 4.22Å; F114-F170 HydrophobicContact CE2-CB 4.28Å; F114-F170 AromaticContact CE2-CD1 3.7Å; F114-F170 HydrophobicContact CE2-CD1 3.7Å; F114-F170 AromaticContact CE2-CD2 3.82Å; F114-F170 HydrophobicContact CE2-CD2 3.82Å; F114-F170 AromaticContact CE2-CE1 3.88Å; F114-F170 HydrophobicContact CE2-CE1 3.88Å; F114-F170 HydrophobicContact CE2-CE2 4.03Å; F114-F170 AromaticContact CE2-CG 3.66Å; F114-F170 HydrophobicContact CE2-CG 3.66Å; F114-F170 HydrophobicContact CE2-CZ 4.07Å; F114-F170 HydrophobicContact CZ-CD1 4.35Å; F114-F170 HydrophobicContact CZ-CE1 4.44Å; V166-F170 HydrophobicContact CG1-CD2 3.98Å; V166-F170 WeakPolarHBondContact O-CD2 3.29Å; V166-F170 PolarHBondContact O-N 3.34Å; F170-A172 PolarHBondContact O-N 3.48Å; F170-V173 HydrophobicContact CB-CB 3.8Å; F170-V173 HydrophobicContact CB-CG2 3.86Å; F170-V173 PolarHBondContact O-N 3.16Å
171P97.1Very high97.1Very high111 Ų11170 Ų7072%0.72135%0.348SS*.THydrogen-bonded Turntrans-65.5-23.2-172.526.2-35.5000114.3K167K167-P171 WeakPolarHBondContact O-CA 3.37Å
172A95.9Very high97Very high73 Ų7379 Ų7960%0.60339%0.386SS*.THydrogen-bonded Turntrans-88.1-2.6176.600000113.5L106 F170L106-A172 HydrophobicContact CD1-CB 3.95Å; F170-A172 PolarHBondContact O-N 3.48Å
173V96.3Very high97Very high14 Ų1473.8 Ų73.89%0.08537%0.369CS..SBendtrans-106.1130.9-176.61780000109.4A102 L106 V112 F114 F170A102-V173 HydrophobicContact CB-CG2 3.98Å; L106-V173 HydrophobicContact CD1-CG2 4.1Å; V112-V173 HydrophobicContact CB-CG1 4.16Å; V112-V173 HydrophobicContact CB-CG2 4.21Å; V112-V173 HydrophobicContact CG1-CG1 3.83Å; V112-V173 HydrophobicContact CG1-CG2 4.2Å; V112-V173 WeakPolarHBondContact O-CG1 3.27Å; F114-V173 HydrophobicContact CB-CG1 4.09Å; F114-V173 HydrophobicContact CD1-CG1 3.75Å; F114-V173 HydrophobicContact CD2-CG1 3.75Å; F114-V173 HydrophobicContact CE1-CG1 4.08Å; F114-V173 HydrophobicContact CE2-CG1 4.08Å; F114-V173 HydrophobicContact CG-CG1 3.58Å; F114-V173 HydrophobicContact CZ-CG1 4.25Å; F170-V173 HydrophobicContact CB-CB 3.8Å; F170-V173 HydrophobicContact CB-CG2 3.86Å; F170-V173 PolarHBondContact O-N 3.16Å
174K94.1Very high97.1Very high96 Ų9667.7 Ų67.742%0.41735%0.349SS..EExtended strand (participates in β ladder)trans-69.2135.5172.2-68.9174.9-176.9176.40108.8E111 V112 Y113 F114E111-K174 WeakPolarHBondContact OE1-CE 3.27Å; E111-K174 IonicContact OE1-NZ 2.69Å; E111-K174 PolarHBondContact OE1-NZ 3.48Å; E111-K174 IonicContact OE2-NZ 3.69Å; V112-K174 PolarHBondContact O-N 3.34Å; V112-K174 VanDerWaalsContact O-N 3.1Å; Y113-K174 CarbonylContact C-O 3.5Å; Y113-K174 WeakPolarHBondContact CA-O 3.23Å; Y113-K174 HydrophobicContact CD1-CB 3.67Å; Y113-K174 HydrophobicContact CD1-CD 3.83Å; Y113-K174 HydrophobicContact CD1-CG 4.4Å; Y113-K174 HydrophobicContact CE1-CB 3.96Å; Y113-K174 HydrophobicContact CE1-CD 3.17Å; Y113-K174 HydrophobicContact CE1-CG 4.19Å; Y113-K174 HydrophobicContact CG-CB 4.42Å; Y113-K174 PolarHBondContact OH-NZ 2.99Å; F114-K174 PolarHBondContact N-O 3.14Å
175H95.7Very high97.1Very high66 Ų6665.7 Ų65.731%0.30634%0.341SS..EExtended strand (participates in β ladder)trans-133.4132.7-174.6168.5-104.4000112.3F114 E116 V166F114-H175 VanDerWaalsContact O-CA 3.31Å; F114-H175 WeakPolarHBondContact O-CA 3.07Å; F114-H175 PolarHBondContact O-CD2 3.06Å; E116-H175 IonicContact OE2-NE2 3.82Å; V166-H175 HydrophobicContact CG1-CB 3.94Å; V166-H175 WeakPolarHBondContact CG1-CD2 3.35Å
176L95.9Very high97.1Very high38 Ų3870.8 Ų70.820%0.19936%0.363CS..EExtended strand (participates in β ladder)trans-131.6130.2175.7179.964.5000110.1F114 V115 E116 I178 I192 E195F114-L176 PolarHBondContact O-N 2.87Å; V115-L176 CarbonylContact C-O 3.42Å; V115-L176 VanDerWaalsContact CA-O 3.3Å; V115-L176 WeakPolarHBondContact CA-O 3.39Å; E116-L176 PolarHBondContact N-O 2.84Å; L176-I178 HydrophobicContact CD1-CG1 4.47Å; L176-I178 HydrophobicContact CD2-CD1 3.65Å; L176-I178 HydrophobicContact CD2-CG1 3.96Å; L176-I178 HydrophobicContact CG-CD1 4.13Å; L176-I178 HydrophobicContact CG-CG1 3.87Å; L176-I192 HydrophobicContact CD2-CG1 4.22Å; L176-E195 HydrophobicContact CD1-CG 4.2Å; L176-E195 HydrophobicContact CD2-CB 4.46Å; L176-E195 HydrophobicContact CD2-CG 3.93Å
177K97.7Very high97.1Very high83 Ų8375.2 Ų75.236%0.36138%0.383SS..EExtended strand (participates in β ladder)trans-112.3120.4175.7-174168.9-172.6151.40110.5E116 V118 S161E116-K177 HydrophobicContact CB-CB 4.38Å; E116-K177 HydrophobicContact CB-CG 4.19Å; E116-K177 HydrophobicContact CG-CG 4.36Å; E116-K177 CarbonylContact O-C 3.55Å; E116-K177 WeakPolarHBondContact O-CA 3.42Å; E116-K177 VanDerWaalsContact OE1-CE 3.26Å; E116-K177 WeakPolarHBondContact OE1-CE 3.11Å; E116-K177 IonicContact OE1-NZ 3.31Å; E116-K177 PolarHBondContact OE1-NZ 3.29Å; E116-K177 WeakPolarHBondContact OE2-CD 2.98Å; E116-K177 IonicContact OE2-NZ 2.76Å; E116-K177 PolarHBondContact OE2-NZ 2.86Å; V118-K177 VanDerWaalsContact CG2-CE 3.47Å; V118-K177 HydrophobicContact CG2-CG 4.34Å; S161-K177 PolarHBondContact O-NZ 3.41Å; S161-K177 PolarHBondContact OG-NZ 2.89Å; S161-K177 VanDerWaalsContact OG-NZ 3.08Å
178I98.2Very high97.1Very high4 Ų468.5 Ų68.52%0.02135%0.354CS..EExtended strand (participates in β ladder)trans-120.5120.8-176.5-55.5174.7000110.1V115 E116 L117 V118 L176 N180 L183 V188 Q191 I192V115-I178 HydrophobicContact CG1-CD1 4.21Å; E116-I178 PolarHBondContact O-N 3.35Å; L117-I178 WeakPolarHBondContact CA-O 3.37Å; L117-I178 HydrophobicContact CD2-CB 4.07Å; V118-I178 PolarHBondContact N-O 3.46Å; L176-I178 HydrophobicContact CD1-CG1 4.47Å; L176-I178 HydrophobicContact CD2-CD1 3.65Å; L176-I178 HydrophobicContact CD2-CG1 3.96Å; L176-I178 HydrophobicContact CG-CD1 4.13Å; L176-I178 HydrophobicContact CG-CG1 3.87Å; I178-N180 HydrophobicContact CG2-CB 4.36Å; I178-N180 PolarHBondContact O-N 3.06Å; I178-L183 HydrophobicContact CG2-CD1 3.89Å; I178-V188 HydrophobicContact CD1-CG1 3.82Å; I178-V188 HydrophobicContact CG2-CG1 4.29Å; I178-V188 HydrophobicContact CG2-CG2 4.41Å; I178-Q191 HydrophobicContact CD1-CB 4.03Å; I178-I192 HydrophobicContact CD1-CD1 4.43Å; I178-I192 HydrophobicContact CD1-CG1 3.78Å
179N98.3Very high97Very high99 Ų9960.4 Ų60.453%0.52932%0.319SS..EExtended strand (participates in β ladder)trans-80.7100.4164.7-173.9-20.7000109.9V118 T181V118-N179 CarbonylContact O-C 3.5Å; V118-N179 WeakPolarHBondContact O-CA 3.4Å; V118-N179 PolarHBondContact O-OD1 3.47Å; N179-T181 VanDerWaalsContact OD1-CB 3.28Å; N179-T181 WeakPolarHBondContact OD1-CB 3.15Å; N179-T181 PolarHBondContact OD1-N 3.04Å; N179-T181 VanDerWaalsContact OD1-N 3.09Å; N179-T181 PolarHBondContact OD1-OG1 3.34Å
180N98.4Very high96.9Very high4 Ų461 Ų612%0.02133%0.325CS..  trans-97.923.1-177.776.3-6.1000113.2V17 V118 A119 R127 I178 K182 L183 V188V17-N180 PolarHBondContact O-ND2 3.12Å; V17-N180 PolarHBondContact O-OD1 2.91Å; V17-N180 VanDerWaalsContact O-OD1 3.13Å; V118-N180 PolarHBondContact O-N 3.3Å; V118-N180 PolarHBondContact O-OD1 3.04Å; A119-N180 WeakPolarHBondContact CB-OD1 3.33Å; R127-N180 PolarHBondContact NH1-OD1 3.01Å; R127-N180 PolarHBondContact NH2-O 3.44Å; I178-N180 HydrophobicContact CG2-CB 4.36Å; I178-N180 PolarHBondContact O-N 3.06Å; N180-K182 PolarHBondContact O-N 2.58Å; N180-L183 HydrophobicContact CB-CB 4.36Å; N180-V188 HydrophobicContact CB-CG2 3.57Å
181T98.2Very high96.8Very high31 Ų3164.1 Ų64.119%0.1934%0.34CS..SBendtrans-54.7-40180-60.30000111.8A119 A120 E123 R127 N179A119-T181 VanDerWaalsContact CA-OG1 3.31Å; A119-T181 WeakPolarHBondContact CA-OG1 3.28Å; A120-T181 HydrophobicContact CB-CG2 3.72Å; A120-T181 PolarHBondContact N-OG1 2.82Å; E123-T181 HydrophobicContact CB-CG2 4.18Å; E123-T181 HydrophobicContact CG-CG2 4.45Å; R127-T181 PolarHBondContact NH2-O 2.88Å; N179-T181 VanDerWaalsContact OD1-CB 3.28Å; N179-T181 WeakPolarHBondContact OD1-CB 3.15Å; N179-T181 PolarHBondContact OD1-N 3.04Å; N179-T181 VanDerWaalsContact OD1-N 3.09Å; N179-T181 PolarHBondContact OD1-OG1 3.34Å
182K97.6Very high96.7Very high198 Ų19859 Ų5986%0.86131%0.306SS*.SBendtrans-118.34.3-175.5-59.3-175-178.8178.20114N180N180-K182 PolarHBondContact O-N 2.58Å
183L98Very high96.6Very high48 Ų4857.3 Ų57.325%0.25129%0.287SS..  trans-93.3138.9-177.2-59.5178.8000110.4I178 N180 E187 V188I178-L183 HydrophobicContact CG2-CD1 3.89Å; N180-L183 HydrophobicContact CB-CB 4.36Å; L183-E187 HydrophobicContact CB-CB 4.42Å; L183-V188 HydrophobicContact CB-CG2 3.76Å; L183-V188 HydrophobicContact CD1-CG2 4.17Å
184A96.6Very high96.3Very high46 Ų4660.3 Ų60.338%0.3831%0.309SS..  trans-67.6151.1167.100000110.2K186 E187 V188A184-K186 PolarHBondContact O-N 3.47Å; A184-K186 VanDerWaalsContact O-N 3.15Å; A184-E187 HydrophobicContact CB-CG 4.29Å; A184-E187 VanDerWaalsContact CB-OE2 3.31Å; A184-E187 WeakPolarHBondContact CB-OE2 3.44Å; A184-E187 PolarHBondContact N-OE2 3.01Å; A184-E187 WeakPolarHBondContact O-CB 3.17Å; A184-E187 PolarHBondContact O-N 2.9Å; A184-V188 PolarHBondContact O-N 2.92Å
185P95.9Very high95.8Very high48 Ų4861.3 Ų61.331%0.31232%0.315SS..Hα-helixtrans-52.3-38.8178-27.634.9000113.6T21 E25 E187 V188 C189T21-P185 HydrophobicContact CG2-CB 3.88Å; T21-P185 HydrophobicContact CG2-CG 3.36Å; E25-P185 HydrophobicContact CB-CB 4.35Å; E25-P185 HydrophobicContact CG-CB 4.47Å; P185-E187 PolarHBondContact O-N 3.06Å; P185-V188 PolarHBondContact O-N 3.16Å; P185-C189 PolarHBondContact O-N 3.47Å; P185-C189 PolarHBondContact O-SG 3.01Å
186K96.7Very high95Very high135 Ų13560.1 Ų60.159%0.58731%0.31SS*.Hα-helixtrans-64.4-38.2178.3-174174.8-179.5179.30113.2E25 A184 C189 T190E25-K186 HydrophobicContact CG-CB 4.45Å; A184-K186 PolarHBondContact O-N 3.47Å; A184-K186 VanDerWaalsContact O-N 3.15Å; K186-C189 PolarHBondContact O-N 3.38Å; K186-T190 PolarHBondContact O-N 2.92Å; K186-T190 PolarHBondContact O-OG1 2.78Å
187E97.8Very high93.5Very high97 Ų9765.5 Ų65.545%0.45335%0.345SS..Hα-helixtrans-65.9-42.4176-64.7173.896.500110.7L183 A184 P185 T190 Q191L183-E187 HydrophobicContact CB-CB 4.42Å; A184-E187 HydrophobicContact CB-CG 4.29Å; A184-E187 VanDerWaalsContact CB-OE2 3.31Å; A184-E187 WeakPolarHBondContact CB-OE2 3.44Å; A184-E187 PolarHBondContact N-OE2 3.01Å; A184-E187 WeakPolarHBondContact O-CB 3.17Å; A184-E187 PolarHBondContact O-N 2.9Å; P185-E187 PolarHBondContact O-N 3.06Å; E187-T190 WeakPolarHBondContact O-CB 3.49Å; E187-T190 PolarHBondContact O-N 3.43Å; E187-Q191 PolarHBondContact O-N 2.9Å; E187-Q191 VanDerWaalsContact O-N 3.12Å
188V97.9Very high93.3Very high0 Ų064.7 Ų64.70%034%0.344CS..Hα-helixtrans-61.3-45.5174.9-179.40000110.6V22 L117 I178 N180 L183 A184 P185 T190 Q191 I192V22-V188 HydrophobicContact CB-CG1 4.5Å; V22-V188 HydrophobicContact CG1-CB 4.48Å; V22-V188 HydrophobicContact CG1-CG1 3.8Å; V22-V188 HydrophobicContact CG2-CB 4.09Å; V22-V188 HydrophobicContact CG2-CG1 3.81Å; V22-V188 HydrophobicContact CG2-CG2 4.5Å; L117-V188 HydrophobicContact CD2-CG1 3.77Å; I178-V188 HydrophobicContact CD1-CG1 3.82Å; I178-V188 HydrophobicContact CG2-CG1 4.29Å; I178-V188 HydrophobicContact CG2-CG2 4.41Å; N180-V188 HydrophobicContact CB-CG2 3.57Å; L183-V188 HydrophobicContact CB-CG2 3.76Å; L183-V188 HydrophobicContact CD1-CG2 4.17Å; A184-V188 PolarHBondContact O-N 2.92Å; P185-V188 PolarHBondContact O-N 3.16Å; V188-T190 VanDerWaalsContact C-N 3.31Å; V188-T190 PolarHBondContact O-N 3.2Å; V188-Q191 PolarHBondContact O-N 3.16Å; V188-I192 HydrophobicContact CG1-CD1 4.02Å; V188-I192 WeakPolarHBondContact O-CG1 3.31Å; V188-I192 PolarHBondContact O-N 3.04Å
189C95.6Very high93Very high0 Ų067.8 Ų67.80%036%0.361CS..Hα-helixtrans-61.3-39.1176.6-69.80000112.8V22 E25 L26 P185 K186 Q191 I192 I193V22-C189 PolarHBondContact O-SG 3.19Å; V22-C189 VanDerWaalsContact O-SG 3.38Å; E25-C189 WeakPolarHBondContact CB-SG 3.31Å; E25-C189 HydrophobicContact CG-CB 4.22Å; E25-C189 VanDerWaalsContact CG-SG 3.54Å; L26-C189 HydrophobicContact CD2-CB 4.06Å; P185-C189 PolarHBondContact O-N 3.47Å; P185-C189 PolarHBondContact O-SG 3.01Å; K186-C189 PolarHBondContact O-N 3.38Å; C189-Q191 VanDerWaalsContact C-N 3.32Å; C189-Q191 PolarHBondContact O-N 3.35Å; C189-I192 PolarHBondContact O-N 3.34Å; C189-I193 WeakPolarHBondContact O-CB 3.24Å; C189-I193 VanDerWaalsContact O-CG1 3.31Å; C189-I193 WeakPolarHBondContact O-CG1 3.18Å; C189-I193 PolarHBondContact O-N 3.39Å
190T95.1Very high92.7Very high79 Ų7966.1 Ų66.149%0.48535%0.351SS..Hα-helixtrans-60.7-43.9177-55.10000110.7K186 E187 V188 I193 S194K186-T190 PolarHBondContact O-N 2.92Å; K186-T190 PolarHBondContact O-OG1 2.78Å; E187-T190 WeakPolarHBondContact O-CB 3.49Å; E187-T190 PolarHBondContact O-N 3.43Å; V188-T190 VanDerWaalsContact C-N 3.31Å; V188-T190 PolarHBondContact O-N 3.2Å; T190-I193 PolarHBondContact O-N 2.73Å; T190-S194 PolarHBondContact O-N 2.93Å; T190-S194 PolarHBondContact O-OG 2.88Å
191Q96.5Very high92.4Very high77 Ų7769.8 Ų69.836%0.3637%0.371SS..Hα-helixtrans-64.9-36.9175.8-68178.623.600112.8I178 E187 V188 C189 S194 E195I178-Q191 HydrophobicContact CD1-CB 4.03Å; E187-Q191 PolarHBondContact O-N 2.9Å; E187-Q191 VanDerWaalsContact O-N 3.12Å; V188-Q191 PolarHBondContact O-N 3.16Å; C189-Q191 VanDerWaalsContact C-N 3.32Å; C189-Q191 PolarHBondContact O-N 3.35Å; Q191-S194 WeakPolarHBondContact CA-OG 3.39Å; Q191-S194 PolarHBondContact O-OG 3.28Å; Q191-E195 WeakPolarHBondContact O-CG 3.12Å
192I95.3Very high92.1Very high2 Ų272.2 Ų72.21%0.0138%0.382CS..Hα-helixtrans-66.1-51.5176.6-65.8166.8000109.4L11 V22 L26 V115 L176 I178 V188 C189 S194 E195 L196L11-I192 HydrophobicContact CD2-CD1 4.3Å; V22-I192 HydrophobicContact CG1-CD1 3.68Å; L26-I192 HydrophobicContact CD1-CD1 4.04Å; L26-I192 HydrophobicContact CD1-CG2 4.36Å; L26-I192 HydrophobicContact CD2-CB 4.25Å; L26-I192 HydrophobicContact CD2-CD1 4.43Å; L26-I192 HydrophobicContact CD2-CG2 4.04Å; V115-I192 HydrophobicContact CG1-CD1 3.77Å; V115-I192 HydrophobicContact CG1-CG1 3.83Å; V115-I192 HydrophobicContact CG2-CD1 4.36Å; V115-I192 HydrophobicContact CG2-CG1 4.17Å; V115-I192 HydrophobicContact CG2-CG2 4.12Å; L176-I192 HydrophobicContact CD2-CG1 4.22Å; I178-I192 HydrophobicContact CD1-CD1 4.43Å; I178-I192 HydrophobicContact CD1-CG1 3.78Å; V188-I192 HydrophobicContact CG1-CD1 4.02Å; V188-I192 WeakPolarHBondContact O-CG1 3.31Å; V188-I192 PolarHBondContact O-N 3.04Å; C189-I192 PolarHBondContact O-N 3.34Å; I192-S194 VanDerWaalsContact C-N 3.29Å; I192-S194 PolarHBondContact O-N 3Å; I192-E195 WeakPolarHBondContact O-CB 3.3Å; I192-E195 PolarHBondContact O-N 3.04Å; I192-L196 HydrophobicContact CG2-CD1 4.24Å; I192-L196 HydrophobicContact CG2-CG 4.36Å; I192-L196 WeakPolarHBondContact O-CG 3.4Å; I192-L196 PolarHBondContact O-N 2.99Å
193I92.5Very high91.7Very high39 Ų3963.8 Ų63.820%0.235%0.35CS..Hα-helixtrans-62.4-36.6-176.3-67.7166.5000111.4L26 Q29 I30 C189 T190 E195 L196 V197L26-I193 HydrophobicContact CD2-CD1 4.36Å; L26-I193 HydrophobicContact CD2-CG1 4.13Å; Q29-I193 HydrophobicContact CB-CD1 3.74Å; Q29-I193 HydrophobicContact CG-CD1 4.46Å; I30-I193 HydrophobicContact CG2-CD1 4.32Å; I30-I193 HydrophobicContact CG2-CG1 4.28Å; C189-I193 WeakPolarHBondContact O-CB 3.24Å; C189-I193 VanDerWaalsContact O-CG1 3.31Å; C189-I193 WeakPolarHBondContact O-CG1 3.18Å; C189-I193 PolarHBondContact O-N 3.39Å; T190-I193 PolarHBondContact O-N 2.73Å; I193-E195 PolarHBondContact O-N 3.46Å; I193-E195 VanDerWaalsContact O-N 3.17Å; I193-L196 PolarHBondContact O-N 2.86Å; I193-V197 HydrophobicContact CG2-CG2 4.4Å; I193-V197 PolarHBondContact O-N 2.9Å
194S90.5Very high91.2Very high77 Ų7764.9 Ų64.954%0.53836%0.357SS..Hα-helixtrans-63.1-20176.5580000114.1T190 Q191 I192T190-S194 PolarHBondContact O-N 2.93Å; T190-S194 PolarHBondContact O-OG 2.88Å; Q191-S194 WeakPolarHBondContact CA-OG 3.39Å; Q191-S194 PolarHBondContact O-OG 3.28Å; I192-S194 VanDerWaalsContact C-N 3.29Å; I192-S194 PolarHBondContact O-N 3Å
195E84.2Confident90.8Very high117 Ų11766.4 Ų66.455%0.54736%0.356SS..Hα-helixtrans-95.1-10.8175.5-62.9-73.1157.900112.6L176 Q191 I192 I193L176-E195 HydrophobicContact CD1-CG 4.2Å; L176-E195 HydrophobicContact CD2-CB 4.46Å; L176-E195 HydrophobicContact CD2-CG 3.93Å; Q191-E195 WeakPolarHBondContact O-CG 3.12Å; I192-E195 WeakPolarHBondContact O-CB 3.3Å; I192-E195 PolarHBondContact O-N 3.04Å; I193-E195 PolarHBondContact O-N 3.46Å; I193-E195 VanDerWaalsContact O-N 3.17Å
196L78.4Confident90.4Very high40 Ų4067.9 Ų67.921%0.20936%0.359CS..Hα-helixtrans-87.5-19.4176.4-60.2-177.7000112.8I9 Y113 I192 I193I9-L196 HydrophobicContact CD1-CD1 3.71Å; I9-L196 HydrophobicContact CD1-CD2 4.36Å; Y113-L196 HydrophobicContact CD1-CD2 3.25Å; Y113-L196 HydrophobicContact CD2-CD2 3.86Å; Y113-L196 HydrophobicContact CE1-CD2 3.23Å; Y113-L196 HydrophobicContact CE1-CG 4.48Å; Y113-L196 HydrophobicContact CE2-CD2 3.88Å; Y113-L196 HydrophobicContact CG-CD2 3.56Å; I192-L196 HydrophobicContact CG2-CD1 4.24Å; I192-L196 HydrophobicContact CG2-CG 4.36Å; I192-L196 WeakPolarHBondContact O-CG 3.4Å; I192-L196 PolarHBondContact O-N 2.99Å; I193-L196 PolarHBondContact O-N 2.86Å
197V64.4Low89.8Confident152 Ų15261.8 Ų61.892%0.92134%0.339SS*.  trans-98.60-173.4179.70000112I193I193-V197 HydrophobicContact CG2-CG2 4.4Å; I193-V197 PolarHBondContact O-N 2.9Å

Retrieved 197 of 197 residues in 419.1 ms (Link to these results)

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