A0A087YI38_POEFO Loading...

ER membrane protein complex subunit 8

AlphaFold DB , UniProt , Accession A0A087YI38, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 204 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
1M67.9Low92.7Very high84 Ų8422.7 Ų22.741%0.41412%0.121SC..  0145.90-72.6179.8-6700107.4S43 G44 E115M1-S43 WeakPolarHBondContact CE-OG 3.2Å; M1-S43 WeakPolarHBondContact SD-CB 3.46Å; M1-S43 PolarHBondContact SD-OG 3.04Å; M1-G44 VanDerWaalsContact SD-O 3.41Å; M1-E115 WeakPolarHBondContact CA-OE1 3.42Å; M1-E115 VanDerWaalsContact CB-OE1 3.25Å; M1-E115 WeakPolarHBondContact CB-OE1 3.37Å; M1-E115 WeakPolarHBondContact CE-OE1 3.2Å; M1-E115 WeakPolarHBondContact CE-OE2 3.31Å; M1-E115 WeakPolarHBondContact CG-OE1 3.48Å; M1-E115 PolarHBondContact N-OE1 3.44Å
2P82.6Confident93.2Very high61 Ų6120.8 Ų20.840%0.39611%0.111SC..  trans-68.7135.7-179.126.8-32.8000112.5P45 V46P2-P45 HydrophobicContact CG-CB 4.34Å; P2-P45 CarbonylContact O-C 3.59Å; P2-P45 WeakPolarHBondContact O-CA 3.39Å; P2-P45 WeakPolarHBondContact O-CB 3.33Å; P2-V46 PolarHBondContact O-N 2.94Å
3I90.1Very high93.6Very high1 Ų119.2 Ų19.21%0.00510%0.102CC..EExtended strand (participates in β ladder)trans-71.6146.4163.362.6153.9000109.8L29 V46 A117 V119 I137 R148I3-L29 HydrophobicContact CD1-CD1 4.22Å; I3-V46 CarbonylContact C-O 3.03Å; I3-V46 VanDerWaalsContact CA-O 3.25Å; I3-V46 WeakPolarHBondContact CA-O 3.16Å; I3-V46 HydrophobicContact CG2-CB 4.36Å; I3-A117 HydrophobicContact CD1-CB 3.51Å; I3-A117 HydrophobicContact CG1-CB 3.76Å; I3-A117 HydrophobicContact CG2-CB 4.11Å; I3-V119 HydrophobicContact CD1-CG2 3.84Å; I3-I137 HydrophobicContact CD1-CG2 4.19Å; I3-I137 HydrophobicContact CG1-CD1 4.5Å; I3-I137 HydrophobicContact CG1-CG2 4.01Å; I3-R148 PolarHBondContact O-NH1 2.9Å
4Q95.3Very high93.9Very high45 Ų4517.9 Ų17.921%0.2110%0.095CC..EExtended strand (participates in β ladder)trans-121144.6169.2-78.2-175.3-43.300109.9P45 V46 L47 C48 D153 A154Q4-P45 HydrophobicContact CB-CB 4.49Å; Q4-P45 VanDerWaalsContact CD-CG 3.47Å; Q4-P45 HydrophobicContact CG-CB 3.79Å; Q4-P45 HydrophobicContact CG-CG 4.07Å; Q4-V46 PolarHBondContact N-O 3.13Å; Q4-L47 HydrophobicContact CB-CD1 4.07Å; Q4-C48 WeakPolarHBondContact O-CB 3.44Å; Q4-C48 PolarHBondContact O-N 2.89Å; Q4-D153 WeakPolarHBondContact CG-O 3.26Å; Q4-D153 PolarHBondContact NE2-O 2.78Å; Q4-A154 CarbonylContact C-O 3.46Å; Q4-A154 VanDerWaalsContact CA-O 3.32Å; Q4-A154 WeakPolarHBondContact CA-O 3.36Å
5L97.2Very high94.2Very high0 Ų016.7 Ų16.70%09%0.089CC..EExtended strand (participates in β ladder)trans-98.5130.6178.9-58.9176.3000110.7Y10 M13 L29 C48 V135 A154 F155 E156L5-Y10 HydrophobicContact CD1-CD2 4.26Å; L5-M13 HydrophobicContact CD1-CE 4.22Å; L5-L29 HydrophobicContact CD2-CD1 4.44Å; L5-L29 HydrophobicContact CD2-CD2 4.24Å; L5-C48 HydrophobicContact CD2-CB 3.89Å; L5-V135 HydrophobicContact CD1-CG2 4.38Å; L5-A154 PolarHBondContact N-O 3.05Å; L5-F155 HydrophobicContact CB-CD1 4.03Å; L5-F155 HydrophobicContact CB-CE1 4.22Å; L5-F155 HydrophobicContact CD1-CE1 4.1Å; L5-F155 VanDerWaalsContact O-CA 3.31Å; L5-F155 WeakPolarHBondContact O-CA 3.43Å; L5-E156 PolarHBondContact O-N 3.32Å
6T97.6Very high94.5Very high12 Ų1215.6 Ų15.67%0.0748%0.083CC..  trans-74.2163.7165.156.40000111.4Q8 A9 Y10 L47 C48 V49T6-Q8 PolarHBondContact O-N 2.79Å; T6-A9 PolarHBondContact O-N 2.99Å; T6-A9 PolarHBondContact OG1-N 2.82Å; T6-Y10 WeakPolarHBondContact O-CB 3.26Å; T6-Y10 PolarHBondContact O-N 3.32Å; T6-L47 HydrophobicContact CG2-CD1 3.61Å; T6-L47 HydrophobicContact CG2-CD2 3.91Å; T6-L47 HydrophobicContact CG2-CG 3.68Å; T6-C48 WeakPolarHBondContact CB-O 3.37Å; T6-C48 WeakPolarHBondContact CG2-O 3.38Å; T6-C48 PolarHBondContact N-O 3.4Å; T6-C48 VanDerWaalsContact N-O 3.1Å; T6-C48 PolarHBondContact OG1-O 2.97Å; T6-V49 HydrophobicContact CG2-CG1 4.47Å; T6-V49 PolarHBondContact OG1-O 3.2Å
7S97.5Very high94.6Very high4 Ų414.8 Ų14.83%0.0288%0.079CC..Hα-helixtrans-50.9-43.3170-58.60000112C11 E160 A161S7-C11 VanDerWaalsContact O-CB 3.3Å; S7-C11 WeakPolarHBondContact O-CB 3.35Å; S7-C11 PolarHBondContact O-N 2.99Å; S7-C11 PolarHBondContact O-SG 3.19Å; S7-E160 PolarHBondContact OG-OE1 2.85Å; S7-A161 WeakPolarHBondContact OG-CA 3.47Å; S7-A161 PolarHBondContact OG-N 2.62Å
8Q98.4Very high94.8Very high43 Ų4314.8 Ų14.820%0.2018%0.081CC..Hα-helixtrans-65-50.7-179.7-175.5174.7-95.700112.6T6 Y10 C11 K12 V49 D50 N197 V200T6-Q8 PolarHBondContact O-N 2.79Å; Q8-Y10 VanDerWaalsContact C-N 3.32Å; Q8-Y10 PolarHBondContact O-N 3.29Å; Q8-C11 PolarHBondContact O-N 2.64Å; Q8-C11 PolarHBondContact O-SG 3.38Å; Q8-K12 PolarHBondContact O-N 2.98Å; Q8-K12 VanDerWaalsContact O-N 3.1Å; Q8-V49 PolarHBondContact NE2-O 3.47Å; Q8-D50 PolarHBondContact NE2-OD1 3.48Å; Q8-D50 PolarHBondContact NE2-OD2 3.14Å; Q8-N197 PolarHBondContact OE1-OD1 2.81Å; Q8-V200 HydrophobicContact CB-CG1 4.17Å
9A98.3Very high94.9Very high0 Ų016.6 Ų16.60%09%0.088CC..Hα-helixtrans-61.5-43.418000000111.4T6 M13 C48 C51T6-A9 PolarHBondContact O-N 2.99Å; T6-A9 PolarHBondContact OG1-N 2.82Å; A9-M13 WeakPolarHBondContact O-CB 3.46Å; A9-M13 PolarHBondContact O-N 3.46Å; A9-C48 HydrophobicContact CB-CB 4.44Å; A9-C48 WeakPolarHBondContact CB-O 3.15Å; A9-C51 PolarHBondContact O-SG 2.92Å; A9-C51 VanDerWaalsContact O-SG 3.37Å
10Y98Very high95Very high0 Ų017 Ų170%09%0.088CC..Hα-helixtrans-66.4-47.7179.2-176.3-110.3000112.2L5 T6 Q8 M13 L14 V135 F155 W158 A161 T165L5-Y10 HydrophobicContact CD1-CD2 4.26Å; T6-Y10 WeakPolarHBondContact O-CB 3.26Å; T6-Y10 PolarHBondContact O-N 3.32Å; Q8-Y10 VanDerWaalsContact C-N 3.32Å; Q8-Y10 PolarHBondContact O-N 3.29Å; Y10-M13 HydrophobicContact CD2-CE 3.91Å; Y10-M13 HydrophobicContact CE2-CE 4.46Å; Y10-M13 PolarHBondContact O-N 3.02Å; Y10-L14 HydrophobicContact CD1-CD2 4.5Å; Y10-L14 HydrophobicContact CD2-CD1 3.94Å; Y10-L14 HydrophobicContact CE1-CD1 4.22Å; Y10-L14 HydrophobicContact CE1-CD2 3.69Å; Y10-L14 HydrophobicContact CE2-CD1 3.55Å; Y10-L14 HydrophobicContact CE2-CD2 4.32Å; Y10-L14 HydrophobicContact CG-CD1 4.44Å; Y10-L14 PolarHBondContact O-N 3.06Å; Y10-V135 HydrophobicContact CD2-CG1 4.42Å; Y10-V135 HydrophobicContact CE2-CG1 3.9Å; Y10-V135 HydrophobicContact CE2-CG2 4.48Å; Y10-F155 HydrophobicContact CD1-CE1 4.4Å; Y10-F155 AromaticContact CD2-CE1 3.57Å; Y10-F155 HydrophobicContact CD2-CE1 3.57Å; Y10-F155 HydrophobicContact CD2-CZ 4.21Å; Y10-F155 AromaticContact CE2-CE1 3.87Å; Y10-F155 HydrophobicContact CE2-CE1 3.87Å; Y10-F155 HydrophobicContact CE2-CZ 4.08Å; Y10-F155 AromaticContact CG-CE1 3.84Å; Y10-F155 HydrophobicContact CG-CE1 3.84Å; Y10-W158 HydrophobicContact CD1-CZ3 4.44Å; Y10-W158 HydrophobicContact CE1-CH2 4.16Å; Y10-W158 AromaticContact CE1-CZ3 3.76Å; Y10-W158 HydrophobicContact CE1-CZ3 3.76Å; Y10-W158 HydrophobicContact CE2-CZ3 4.46Å; Y10-W158 AromaticContact CZ-CZ3 3.77Å; Y10-A161 HydrophobicContact CD1-CB 4.3Å; Y10-T165 WeakPolarHBondContact CD1-OG1 3.3Å; Y10-T165 HydrophobicContact CE1-CG2 4.42Å
11C97.5Very high94.9Very high0 Ų020.6 Ų20.60%011%0.113CC..Hα-helixtrans-66.8-43.1-175.875.70000111.6S7 Q8 M13 L14 L15 T165 L168 V200S7-C11 VanDerWaalsContact O-CB 3.3Å; S7-C11 WeakPolarHBondContact O-CB 3.35Å; S7-C11 PolarHBondContact O-N 2.99Å; S7-C11 PolarHBondContact O-SG 3.19Å; Q8-C11 PolarHBondContact O-N 2.64Å; Q8-C11 PolarHBondContact O-SG 3.38Å; C11-M13 VanDerWaalsContact C-N 3.3Å; C11-M13 PolarHBondContact O-N 2.8Å; C11-L14 PolarHBondContact O-N 3.08Å; C11-L15 WeakPolarHBondContact O-CB 3.39Å; C11-L15 WeakPolarHBondContact O-CG 3.45Å; C11-L15 PolarHBondContact O-N 3.44Å; C11-T165 HydrophobicContact CB-CG2 4.18Å; C11-T165 VanDerWaalsContact CB-OG1 3.29Å; C11-T165 WeakPolarHBondContact CB-OG1 3.45Å; C11-L168 HydrophobicContact CB-CD1 4.17Å; C11-V200 WeakPolarHBondContact SG-CG2 2.88Å
12K98.5Very high96Very high0 Ų023.2 Ų23.20%012%0.124CC..Hα-helixtrans-60.1-41.4177.2-82-168.2-172.1171.20112.3Q8 L14 L15 H16 D50 C51 L177 T192 I196 N197Q8-K12 PolarHBondContact O-N 2.98Å; Q8-K12 VanDerWaalsContact O-N 3.1Å; K12-L14 VanDerWaalsContact C-N 3.34Å; K12-L14 PolarHBondContact O-N 3.18Å; K12-L15 PolarHBondContact O-N 2.79Å; K12-H16 WeakPolarHBondContact O-CB 3.35Å; K12-H16 PolarHBondContact O-N 3.05Å; K12-D50 VanDerWaalsContact CD-OD1 3.26Å; K12-D50 WeakPolarHBondContact CD-OD1 3.4Å; K12-D50 VanDerWaalsContact CE-OD1 3.25Å; K12-D50 WeakPolarHBondContact CE-OD1 3.39Å; K12-D50 IonicContact NZ-OD1 3.79Å; K12-D50 PolarHBondContact NZ-OD1 3.39Å; K12-D50 IonicContact NZ-OD2 2.91Å; K12-D50 PolarHBondContact NZ-OD2 2.9Å; K12-C51 WeakPolarHBondContact CB-SG 3.09Å; K12-C51 WeakPolarHBondContact CD-O 3.35Å; K12-L177 HydrophobicContact CG-CD1 4.34Å; K12-T192 PolarHBondContact NZ-O 3.42Å; K12-I196 HydrophobicContact CG-CG2 4.17Å; K12-N197 WeakPolarHBondContact CE-OD1 3.29Å; K12-N197 PolarHBondContact NZ-OD1 3.29Å
13M98Very high96.5Very high0 Ų021.5 Ų21.50%011%0.113CC..Hα-helixtrans-61.2-44.5176.7178.5172.857.600111.1L5 A9 Y10 C11 H16 T17 Y87 V119 V121 V135L5-M13 HydrophobicContact CD1-CE 4.22Å; A9-M13 WeakPolarHBondContact O-CB 3.46Å; A9-M13 PolarHBondContact O-N 3.46Å; Y10-M13 HydrophobicContact CD2-CE 3.91Å; Y10-M13 HydrophobicContact CE2-CE 4.46Å; Y10-M13 PolarHBondContact O-N 3.02Å; C11-M13 VanDerWaalsContact C-N 3.3Å; C11-M13 PolarHBondContact O-N 2.8Å; M13-H16 PolarHBondContact O-N 3.18Å; M13-T17 PolarHBondContact O-N 3.4Å; M13-T17 VanDerWaalsContact O-N 3.16Å; M13-T17 PolarHBondContact O-OG1 3.12Å; M13-T17 VanDerWaalsContact O-OG1 3.12Å; M13-Y87 HydrophobicContact CG-CD1 4.33Å; M13-Y87 HydrophobicContact CG-CD2 3.64Å; M13-Y87 HydrophobicContact CG-CE2 3.89Å; M13-Y87 HydrophobicContact CG-CG 3.88Å; M13-Y87 VanDerWaalsContact SD-CB 3.54Å; M13-Y87 HydrophobicContact SD-CD1 4.27Å; M13-Y87 HydrophobicContact SD-CD2 3.92Å; M13-Y87 HydrophobicContact SD-CG 3.67Å; M13-V119 HydrophobicContact CE-CG1 3.99Å; M13-V119 HydrophobicContact SD-CG1 3.86Å; M13-V121 HydrophobicContact CE-CG2 4.24Å; M13-V121 HydrophobicContact CG-CG2 3.58Å; M13-V121 HydrophobicContact SD-CG2 3.48Å; M13-V121 WeakPolarHBondContact SD-CG2 3.38Å; M13-V135 HydrophobicContact CE-CG1 3.58Å
14L97.9Very high96.8Very high0 Ų021.9 Ų21.90%012%0.116CC..Hα-helixtrans-70-37.4177.1-94.866.4000112.9Y10 C11 K12 H16 T17 A18 L126 I134 T165Y10-L14 HydrophobicContact CD1-CD2 4.5Å; Y10-L14 HydrophobicContact CD2-CD1 3.94Å; Y10-L14 HydrophobicContact CE1-CD1 4.22Å; Y10-L14 HydrophobicContact CE1-CD2 3.69Å; Y10-L14 HydrophobicContact CE2-CD1 3.55Å; Y10-L14 HydrophobicContact CE2-CD2 4.32Å; Y10-L14 HydrophobicContact CG-CD1 4.44Å; Y10-L14 PolarHBondContact O-N 3.06Å; C11-L14 PolarHBondContact O-N 3.08Å; K12-L14 VanDerWaalsContact C-N 3.34Å; K12-L14 PolarHBondContact O-N 3.18Å; L14-H16 VanDerWaalsContact C-N 3.3Å; L14-H16 PolarHBondContact O-N 2.72Å; L14-T17 PolarHBondContact O-N 3.33Å; L14-A18 VanDerWaalsContact O-CB 3.3Å; L14-A18 WeakPolarHBondContact O-CB 3.38Å; L14-A18 PolarHBondContact O-N 2.92Å; L14-L126 HydrophobicContact CB-CD1 4.42Å; L14-L126 HydrophobicContact CD2-CD1 4.03Å; L14-L126 HydrophobicContact CG-CD1 4.01Å; L14-I134 HydrophobicContact CD1-CD1 4.3Å; L14-I134 HydrophobicContact CD1-CG1 4.26Å; L14-I134 HydrophobicContact CD2-CD1 3.97Å; L14-I134 HydrophobicContact CD2-CG1 4.23Å; L14-I134 HydrophobicContact CG-CD1 4.03Å; L14-I134 HydrophobicContact CG-CG1 4.44Å; L14-T165 HydrophobicContact CB-CG2 3.92Å; L14-T165 HydrophobicContact CD2-CG2 3.74Å; L14-T165 HydrophobicContact CG-CG2 4.46Å
15L98.5Very high96.9Very high0 Ų019.8 Ų19.80%011%0.106CC..Hα-helixtrans-62.6-38.5173.7-69174.6000110.9C11 K12 A18 K19 L168 L169 Y174 L177 I196C11-L15 WeakPolarHBondContact O-CB 3.39Å; C11-L15 WeakPolarHBondContact O-CG 3.45Å; C11-L15 PolarHBondContact O-N 3.44Å; K12-L15 PolarHBondContact O-N 2.79Å; L15-A18 PolarHBondContact O-N 3.42Å; L15-K19 WeakPolarHBondContact O-CB 3.47Å; L15-K19 PolarHBondContact O-N 2.79Å; L15-L168 HydrophobicContact CD1-CB 4.33Å; L15-L168 HydrophobicContact CD1-CD1 4.24Å; L15-L168 HydrophobicContact CD2-CB 4.13Å; L15-L169 HydrophobicContact CD2-CD2 3.94Å; L15-L169 HydrophobicContact CD2-CG 4.3Å; L15-Y174 HydrophobicContact CD2-CD1 4.28Å; L15-Y174 VanDerWaalsContact O-CB 3.25Å; L15-Y174 WeakPolarHBondContact O-CB 3.31Å; L15-L177 HydrophobicContact CB-CD1 4.38Å; L15-L177 HydrophobicContact CB-CD2 4.36Å; L15-I196 HydrophobicContact CD1-CD1 4.4Å; L15-I196 HydrophobicContact CD1-CG2 3.98Å
16H98.5Very high96.9Very high0 Ų019.8 Ų19.80%011%0.106CC..Hα-helixtrans-63.1-48.8176.7-171.2-162.7000111.3K12 M13 L14 A18 K19 Y20 N26 P53 F55 Y87 L177 D179K12-H16 WeakPolarHBondContact O-CB 3.35Å; K12-H16 PolarHBondContact O-N 3.05Å; M13-H16 PolarHBondContact O-N 3.18Å; L14-H16 VanDerWaalsContact C-N 3.3Å; L14-H16 PolarHBondContact O-N 2.72Å; H16-A18 VanDerWaalsContact C-N 3.29Å; H16-A18 PolarHBondContact O-N 3.28Å; H16-K19 PolarHBondContact O-N 2.91Å; H16-Y20 AromaticContact CD2-CD2 3.68Å; H16-Y20 AromaticContact CD2-CE2 3.72Å; H16-Y20 AromaticContact NE2-CD2 3.82Å; H16-Y20 AromaticContact NE2-CE2 3.76Å; H16-Y20 PolarHBondContact O-N 2.86Å; H16-N26 PolarHBondContact CE1-O 2.91Å; H16-N26 VanDerWaalsContact CE1-O 3.24Å; H16-N26 PolarHBondContact ND1-O 3.48Å; H16-P53 HydrophobicContact CB-CB 4.31Å; H16-P53 HydrophobicContact CB-CG 4.45Å; H16-F55 PolarHBondContact CE1-O 2.99Å; H16-Y87 AromaticContact ND1-CE2 3.89Å; H16-Y87 AromaticContact ND1-CZ 3.79Å; H16-Y87 PolarHBondContact ND1-OH 3.33Å; H16-L177 HydrophobicContact CB-CD2 3.58Å; H16-D179 IonicContact NE2-OD2 3.74Å
17T97.1Very high96.9Very high2 Ų219.2 Ų19.21%0.01210%0.103CC..Hα-helixtrans-60.3-39175.1-54.10000111.9M13 L14 Y20 A89 V121 S123 L126M13-T17 PolarHBondContact O-N 3.4Å; M13-T17 VanDerWaalsContact O-N 3.16Å; M13-T17 PolarHBondContact O-OG1 3.12Å; M13-T17 VanDerWaalsContact O-OG1 3.12Å; L14-T17 PolarHBondContact O-N 3.33Å; T17-Y20 CarbonylContact O-C 3.6Å; T17-A89 HydrophobicContact CG2-CB 4.01Å; T17-V121 HydrophobicContact CG2-CG1 4.43Å; T17-S123 VanDerWaalsContact CG2-OG 3.32Å; T17-S123 WeakPolarHBondContact CG2-OG 3.39Å; T17-L126 HydrophobicContact CG2-CD2 4.28Å
18A97.3Very high96.9Very high14 Ų1419 Ų1912%0.11610%0.102CC..Hα-helixtrans-68.9-32.3177.800000113.2L14 L15 H16 P21 L126 L169 Y174L14-A18 VanDerWaalsContact O-CB 3.3Å; L14-A18 WeakPolarHBondContact O-CB 3.38Å; L14-A18 PolarHBondContact O-N 2.92Å; L15-A18 PolarHBondContact O-N 3.42Å; H16-A18 VanDerWaalsContact C-N 3.29Å; H16-A18 PolarHBondContact O-N 3.28Å; A18-P21 WeakPolarHBondContact O-CD 3.44Å; A18-L126 HydrophobicContact CB-CD2 3.99Å; A18-L169 HydrophobicContact CB-CD2 3.64Å; A18-Y174 HydrophobicContact CB-CD1 3.98Å; A18-Y174 HydrophobicContact CB-CG 4.02Å
19K97.9Very high96.9Very high49 Ų4917 Ų1721%0.2139%0.092CC..Hα-helixtrans-66.2-38.1177.7-170.6179.2-178.7-175.30111.7L15 H16 P21 Y174 L177 N182L15-K19 WeakPolarHBondContact O-CB 3.47Å; L15-K19 PolarHBondContact O-N 2.79Å; H16-K19 PolarHBondContact O-N 2.91Å; K19-P21 VanDerWaalsContact C-CD 3.49Å; K19-P21 WeakPolarHBondContact O-CD 3.23Å; K19-Y174 VanDerWaalsContact CD-O 3.28Å; K19-Y174 WeakPolarHBondContact CD-O 3.45Å; K19-Y174 WeakPolarHBondContact CG-O 3.45Å; K19-L177 PolarHBondContact NZ-O 3.19Å; K19-N182 PolarHBondContact NZ-OD1 2.8Å
20Y96.9Very high96.9Very high25 Ų2517 Ų1710%0.0989%0.092CC..SBendtrans-12467.3-178.7-49.2-77.7000112.4H16 T17 H22 C23 V25 H56 D179 N182H16-Y20 AromaticContact CD2-CD2 3.68Å; H16-Y20 AromaticContact CD2-CE2 3.72Å; H16-Y20 AromaticContact NE2-CD2 3.82Å; H16-Y20 AromaticContact NE2-CE2 3.76Å; H16-Y20 PolarHBondContact O-N 2.86Å; T17-Y20 CarbonylContact O-C 3.6Å; Y20-H22 PolarHBondContact O-N 3.14Å; Y20-C23 PolarHBondContact O-N 3.36Å; Y20-C23 VanDerWaalsContact O-N 3.11Å; Y20-V25 HydrophobicContact CD2-CG1 4.04Å; Y20-V25 HydrophobicContact CG-CG1 4.46Å; Y20-H56 HydrophobicContact CD1-CB 4.14Å; Y20-H56 AromaticContact CD1-CD2 3.78Å; Y20-H56 AromaticContact CD1-CG 3.86Å; Y20-H56 HydrophobicContact CD2-CB 3.53Å; Y20-H56 AromaticContact CD2-CG 3.81Å; Y20-H56 HydrophobicContact CE1-CB 4.39Å; Y20-H56 AromaticContact CE1-CD2 3.58Å; Y20-H56 AromaticContact CE1-CE1 3.8Å; Y20-H56 AromaticContact CE1-CG 3.69Å; Y20-H56 AromaticContact CE1-ND1 3.81Å; Y20-H56 AromaticContact CE1-NE2 3.64Å; Y20-H56 HydrophobicContact CE2-CB 3.8Å; Y20-H56 AromaticContact CE2-CG 3.62Å; Y20-H56 AromaticContact CE2-ND1 3.47Å; Y20-H56 WeakPolarHBondContact CE2-ND1 3.3Å; Y20-H56 HydrophobicContact CG-CB 3.69Å; Y20-H56 AromaticContact CG-CG 3.9Å; Y20-H56 AromaticContact CZ-CD2 3.87Å; Y20-H56 AromaticContact CZ-CE1 3.46Å; Y20-H56 VanDerWaalsContact CZ-CE1 3.46Å; Y20-H56 AromaticContact CZ-CG 3.53Å; Y20-H56 AromaticContact CZ-ND1 3.25Å; Y20-H56 AromaticContact CZ-NE2 3.82Å; Y20-H56 PolarHBondContact OH-CE1 3.32Å; Y20-H56 PolarHBondContact OH-ND1 3Å; Y20-D179 WeakPolarHBondContact CE2-OD2 3.41Å; Y20-D179 VanDerWaalsContact CZ-OD2 3.26Å; Y20-D179 PolarHBondContact OH-OD2 2.72Å; Y20-N182 PolarHBondContact OH-ND2 3.46Å; Y20-N182 PolarHBondContact OH-OD1 3.35Å
21P92.7Very high96.9Very high93 Ų9317 Ų1760%0.6049%0.093SC*.THydrogen-bonded Turntrans-68.6-13.5-169.528.8-36.6000114.4A18 K19A18-P21 WeakPolarHBondContact O-CD 3.44Å; K19-P21 VanDerWaalsContact C-CD 3.49Å; K19-P21 WeakPolarHBondContact O-CD 3.23Å
22H90.7Very high96.7Very high138 Ų13823 Ų2364%0.63912%0.121SC*.THydrogen-bonded Turntrans-106.64-17958.5-83000112.8Y20Y20-H22 PolarHBondContact O-N 3.14Å
23C93.8Very high96.3Very high25 Ų2529.6 Ų29.617%0.16915%0.149CC..SBendtrans-119.6155.7-177.9-66.80000110.3Y20Y20-C23 PolarHBondContact O-N 3.36Å; Y20-C23 VanDerWaalsContact O-N 3.11Å
24A95Very high95.4Very high10 Ų1035.7 Ų35.78%0.08319%0.187CC..  trans-67.6142.9158.800000109.1H56 G57 L59 A89 E91A24-H56 CarbonylContact O-C 3.48Å; A24-H56 WeakPolarHBondContact O-CA 3.35Å; A24-G57 PolarHBondContact O-N 3.25Å; A24-L59 HydrophobicContact CB-CD1 3.58Å; A24-L59 HydrophobicContact CB-CD2 4.49Å; A24-L59 HydrophobicContact CB-CG 3.91Å; A24-A89 CarbonylContact C-O 3.58Å; A24-A89 VanDerWaalsContact CA-O 3.24Å; A24-A89 WeakPolarHBondContact CA-O 3.26Å; A24-E91 HydrophobicContact CB-CB 4.18Å
25V97Very high93.7Very high0 Ų044.4 Ų44.40%023%0.225CC..EExtended strand (participates in β ladder)trans-130.3152.6174.5-62.80000110.3Y20 F55 H56 Q88 A89Y20-V25 HydrophobicContact CD2-CG1 4.04Å; Y20-V25 HydrophobicContact CG-CG1 4.46Å; V25-F55 WeakPolarHBondContact CA-O 3.31Å; V25-H56 HydrophobicContact CG1-CB 4.04Å; V25-Q88 CarbonylContact O-C 3.5Å; V25-Q88 VanDerWaalsContact O-CA 3.32Å; V25-Q88 WeakPolarHBondContact O-CA 3.31Å; V25-A89 HydrophobicContact CG2-CB 3.58Å; V25-A89 PolarHBondContact N-O 3.25Å; V25-A89 PolarHBondContact O-N 3.07Å
26N97.7Very high91.5Very high0 Ų053.9 Ų53.90%027%0.269CS..EExtended strand (participates in β ladder)trans-144.9171.1173.168.54000113.9H16 L54 F55 L59 Y86 Y87 Q88H16-N26 PolarHBondContact CE1-O 2.91Å; H16-N26 VanDerWaalsContact CE1-O 3.24Å; H16-N26 PolarHBondContact ND1-O 3.48Å; N26-L54 PolarHBondContact O-N 3.37Å; N26-L54 WeakPolarHBondContact OD1-CB 3.25Å; N26-F55 PolarHBondContact N-O 3.35Å; N26-F55 VanDerWaalsContact N-O 3.09Å; N26-F55 WeakPolarHBondContact OD1-CB 3.29Å; N26-F55 PolarHBondContact OD1-N 3.15Å; N26-F55 PolarHBondContact OD1-O 2.92Å; N26-L59 HydrophobicContact CB-CD1 4.08Å; N26-L59 HydrophobicContact CB-CD2 4.23Å; N26-Y86 HydrophobicContact CB-CE2 3.7Å; N26-Y86 WeakPolarHBondContact CB-OH 3.35Å; N26-Y86 PolarHBondContact ND2-OH 3.41Å; N26-Y87 VanDerWaalsContact CA-O 3.25Å; N26-Y87 WeakPolarHBondContact CA-O 3.13Å; N26-Y87 WeakPolarHBondContact CB-O 3.22Å; N26-Q88 HydrophobicContact CB-CB 4.44Å
27G97.9Very high89Confident0 Ų063.5 Ų63.50%031%0.311CS..EExtended strand (participates in β ladder)trans-175.8-175.517200000113.8V52 Y86 Y87G27-V52 CarbonylContact C-O 3.5Å; G27-V52 WeakPolarHBondContact CA-O 3.43Å; G27-Y86 CarbonylContact O-C 3.58Å; G27-Y86 WeakPolarHBondContact O-CA 3.44Å; G27-Y86 VanDerWaalsContact O-CD2 3.25Å; G27-Y86 WeakPolarHBondContact O-CD2 3.25Å; G27-Y87 VanDerWaalsContact C-CD1 3.48Å; G27-Y87 PolarHBondContact N-O 3.4Å; G27-Y87 PolarHBondContact O-N 3.14Å
28L98.3Very high86.4Confident0 Ų072.4 Ų72.40%035%0.349CS..EExtended strand (participates in β ladder)trans-109.1145.1-178.2-59.7172.3000110.6C51 V52 L54 L69 I72 I83 Y86 V105 I109L28-C51 CarbonylContact O-C 3.54Å; L28-C51 WeakPolarHBondContact O-CA 3.25Å; L28-C51 VanDerWaalsContact O-CB 3.28Å; L28-C51 WeakPolarHBondContact O-CB 3.41Å; L28-V52 PolarHBondContact N-O 2.88Å; L28-V52 PolarHBondContact O-N 3.46Å; L28-L54 HydrophobicContact CD1-CD1 4.18Å; L28-L54 HydrophobicContact CD2-CD1 4.26Å; L28-L54 HydrophobicContact CG-CD1 3.8Å; L28-L54 HydrophobicContact CG-CG 4.29Å; L28-L69 HydrophobicContact CD1-CD2 3.72Å; L28-L69 HydrophobicContact CD2-CD2 3.89Å; L28-L69 HydrophobicContact CG-CD2 4.45Å; L28-I72 HydrophobicContact CD1-CB 4.34Å; L28-I72 HydrophobicContact CD1-CD1 3.78Å; L28-I72 HydrophobicContact CD1-CG2 4.09Å; L28-I83 HydrophobicContact CB-CG2 4.29Å; L28-I83 HydrophobicContact CD1-CD1 4.17Å; L28-I83 HydrophobicContact CD2-CG2 4.2Å; L28-Y86 HydrophobicContact CD2-CD2 4.26Å; L28-V105 HydrophobicContact CD2-CG1 4.42Å; L28-I109 HydrophobicContact CD2-CD1 3.96Å
29L98.3Very high83.8Confident0 Ų082 Ų820%039%0.388CS..EExtended strand (participates in β ladder)trans-100.8134.8171.4-62.7168.1000108.7I3 L5 C51 V84 G85 Y87 V119I3-L29 HydrophobicContact CD1-CD1 4.22Å; L5-L29 HydrophobicContact CD2-CD1 4.44Å; L5-L29 HydrophobicContact CD2-CD2 4.24Å; L29-C51 HydrophobicContact CD2-CB 3.75Å; L29-V84 HydrophobicContact CB-CG2 4.22Å; L29-V84 PolarHBondContact O-N 2.73Å; L29-G85 PolarHBondContact N-O 2.9Å; L29-G85 PolarHBondContact O-N 3.41Å; L29-Y87 HydrophobicContact CD2-CD1 4.33Å; L29-V119 HydrophobicContact CD1-CB 4.13Å; L29-V119 HydrophobicContact CD1-CG2 3.43Å; L29-V119 VanDerWaalsContact CD1-CG2 3.43Å
30V97.7Very high81.1Confident0 Ų086.7 Ų86.70%042%0.416CS..EExtended strand (participates in β ladder)trans-121.6145.2-179.7-60.30000111C48 V49 D50 I82 I83V30-C48 CarbonylContact O-C 3.58Å; V30-C48 WeakPolarHBondContact O-CA 3.16Å; V30-V49 PolarHBondContact O-N 3.49Å; V30-D50 HydrophobicContact CG2-CB 3.64Å; V30-D50 WeakPolarHBondContact CG2-O 3.32Å; V30-D50 PolarHBondContact N-O 3.31Å; V30-D50 PolarHBondContact O-N 2.75Å; V30-I82 WeakPolarHBondContact CA-O 3.35Å; V30-I83 HydrophobicContact CG1-CG1 4.35Å
31A96.9Very high78.8Confident2 Ų289.1 Ų89.12%0.01745%0.449CS..EExtended strand (participates in β ladder)trans-123.7154.8174.100000109.7V46 L47 Y81 I82 V84A31-V46 HydrophobicContact CB-CG1 3.9Å; A31-L47 WeakPolarHBondContact CB-O 3.32Å; A31-Y81 CarbonylContact O-C 3.52Å; A31-Y81 VanDerWaalsContact O-CA 3.26Å; A31-Y81 WeakPolarHBondContact O-CA 3.14Å; A31-I82 HydrophobicContact CB-CG2 4.4Å; A31-I82 PolarHBondContact N-O 2.76Å; A31-I82 PolarHBondContact O-N 3.37Å; A31-V84 HydrophobicContact CB-CB 4.36Å; A31-V84 HydrophobicContact CB-CG1 3.52Å; A31-V84 HydrophobicContact CB-CG2 3.92Å
32E94.6Very high76.6Confident125 Ų12593.6 Ų93.658%0.58446%0.461SS*.EExtended strand (participates in β ladder)trans-63.6137.2166.9-73.1-172.7179.900110.3T34 V49 Y81E32-T34 PolarHBondContact O-N 3.42Å; E32-V49 HydrophobicContact CG-CG1 4.29Å; E32-V49 HydrophobicContact CG-CG2 4.25Å; E32-Y81 HydrophobicContact CG-CD1 4.01Å; E32-Y81 HydrophobicContact CG-CE1 3.62Å
33K89.4Confident75.4Confident138 Ų13891 Ų9160%0.646%0.459SS*.  trans-7495.9173.8-169176.2-175175.10108.5K35 N80K33-K35 PolarHBondContact O-N 3.13Å; K33-N80 WeakPolarHBondContact CB-O 3.26Å; K33-N80 PolarHBondContact N-O 3.24Å
34T79.4Confident74.4Confident128 Ų12892 Ų9279%0.78547%0.472SS*.  trans-60.9121.3173.1-0.10000109E32 E36E32-T34 PolarHBondContact O-N 3.42Å; T34-E36 PolarHBondContact O-N 3.38Å; T34-E36 VanDerWaalsContact O-N 3.14Å
35K62.4Low74Confident183 Ų18394.3 Ų94.380%0.79649%0.487SS*.  trans-60.8118.9167.2-66.9179.5-178.3176.20106.4K33 K37K33-K35 PolarHBondContact O-N 3.13Å; K35-K37 VanDerWaalsContact C-N 3.35Å; K35-K37 PolarHBondContact O-N 2.97Å
36E51.5Low73.7Confident199 Ų19995.5 Ų95.593%0.9349%0.494SS*.  trans-39.594.7-179.9-68.2-177.4165.400111.1T34 K38T34-E36 PolarHBondContact O-N 3.38Å; T34-E36 VanDerWaalsContact O-N 3.14Å; E36-K38 PolarHBondContact O-N 2.91Å
37K46Very low73.6Confident203 Ų20397.8 Ų97.888%0.88351%0.506SS*.  trans-79.1114.4167-83.5-173.3178.3176.10105.1K35 K39K35-K37 VanDerWaalsContact C-N 3.35Å; K35-K37 PolarHBondContact O-N 2.97Å; K37-K39 PolarHBondContact O-N 3.31Å
38K42.2Very low73.5Confident189 Ų18997.8 Ų97.882%0.82251%0.506SS*.  trans-22.3119.4172.4-72175.6173.5177.30112.8E36 D40E36-K38 PolarHBondContact O-N 2.91Å; K38-D40 PolarHBondContact O-N 3.39Å
39K43.3Very low73.5Confident215 Ų21598.9 Ų98.994%0.93551%0.513SS*.  30.538.4127.7-92.9-170.8178.2-179.10119.1K37K37-K39 PolarHBondContact O-N 3.31Å
40D42Very low73.5Confident148 Ų14899.3 Ų99.379%0.79152%0.515SS*.  trans-104.7119157.7-76.9-33.3000106.9K38 H42K38-D40 PolarHBondContact O-N 3.39Å; D40-H42 PolarHBondContact O-N 3.46Å
41G47.3Very low73.5Confident76 Ų7699.3 Ų99.378%0.78452%0.515SS*.SBendtrans-6529.8-157.700000118.6
42H47.7Very low73.6Confident186 Ų18699.4 Ų99.486%0.86152%0.515SS*.  trans-137.376.2170.4-67.680.1000109D40 G44D40-H42 PolarHBondContact O-N 3.46Å; H42-G44 PolarHBondContact O-N 2.96Å
43S64.9Low73.7Confident85 Ų8593.5 Ų93.559%0.59449%0.488SS*.  trans-64.7124.1162.5172.40000107.5M1M1-S43 WeakPolarHBondContact CE-OG 3.2Å; M1-S43 WeakPolarHBondContact SD-CB 3.46Å; M1-S43 PolarHBondContact SD-OG 3.04Å
44G73.9Confident74.1Confident44 Ų4486.9 Ų86.945%0.45446%0.459SS..  trans-65.5175.3177.600000112.6M1 H42M1-G44 VanDerWaalsContact SD-O 3.41Å; H42-G44 PolarHBondContact O-N 2.96Å
45P84.6Confident75Confident59 Ų5981.1 Ų81.138%0.38342%0.423SS..  trans-55.8151.9171.524.8-33.7000111.6P2 Q4 L47P2-P45 HydrophobicContact CG-CB 4.34Å; P2-P45 CarbonylContact O-C 3.59Å; P2-P45 WeakPolarHBondContact O-CA 3.39Å; P2-P45 WeakPolarHBondContact O-CB 3.33Å; Q4-P45 HydrophobicContact CB-CB 4.49Å; Q4-P45 VanDerWaalsContact CD-CG 3.47Å; Q4-P45 HydrophobicContact CG-CB 3.79Å; Q4-P45 HydrophobicContact CG-CG 4.07Å; P45-L47 PolarHBondContact O-N 3.43Å
46V91.8Very high76.5Confident26 Ų2674.8 Ų74.816%0.15840%0.396CS..EExtended strand (participates in β ladder)trans-82.5114.4175.5177.60000108.8P2 I3 Q4 A31 C48 V84 F113P2-V46 PolarHBondContact O-N 2.94Å; I3-V46 CarbonylContact C-O 3.03Å; I3-V46 VanDerWaalsContact CA-O 3.25Å; I3-V46 WeakPolarHBondContact CA-O 3.16Å; I3-V46 HydrophobicContact CG2-CB 4.36Å; Q4-V46 PolarHBondContact N-O 3.13Å; A31-V46 HydrophobicContact CB-CG1 3.9Å; V46-C48 PolarHBondContact O-N 3.18Å; V46-V84 HydrophobicContact CG1-CB 4.47Å; V46-V84 HydrophobicContact CG1-CG1 4.06Å; V46-F113 HydrophobicContact CB-CZ 4.32Å; V46-F113 HydrophobicContact CG1-CZ 3.96Å; V46-F113 HydrophobicContact CG2-CE2 4.46Å; V46-F113 HydrophobicContact CG2-CZ 3.95Å
47L95.4Very high78.3Confident48 Ų4866.9 Ų66.925%0.25137%0.368SS..EExtended strand (participates in β ladder)trans-82.2114-178.3-172.364.2000111Q4 T6 A31 P45 V49 E156Q4-L47 HydrophobicContact CB-CD1 4.07Å; T6-L47 HydrophobicContact CG2-CD1 3.61Å; T6-L47 HydrophobicContact CG2-CD2 3.91Å; T6-L47 HydrophobicContact CG2-CG 3.68Å; A31-L47 WeakPolarHBondContact CB-O 3.32Å; P45-L47 PolarHBondContact O-N 3.43Å; L47-V49 HydrophobicContact CD2-CG1 4.21Å; L47-V49 HydrophobicContact CG-CG1 4.15Å; L47-V49 PolarHBondContact O-N 2.63Å; L47-E156 HydrophobicContact CD1-CB 3.93Å; L47-E156 HydrophobicContact CD1-CG 4.38Å; L47-E156 WeakPolarHBondContact CD2-OE1 3.45Å
48C96.8Very high80.2Confident0 Ų062 Ų620%036%0.355CS..EExtended strand (participates in β ladder)trans-77.399.7170-61.80000109.2Q4 L5 T6 A9 V30 V46 V84Q4-C48 WeakPolarHBondContact O-CB 3.44Å; Q4-C48 PolarHBondContact O-N 2.89Å; L5-C48 HydrophobicContact CD2-CB 3.89Å; T6-C48 WeakPolarHBondContact CB-O 3.37Å; T6-C48 WeakPolarHBondContact CG2-O 3.38Å; T6-C48 PolarHBondContact N-O 3.4Å; T6-C48 VanDerWaalsContact N-O 3.1Å; T6-C48 PolarHBondContact OG1-O 2.97Å; A9-C48 HydrophobicContact CB-CB 4.44Å; A9-C48 WeakPolarHBondContact CB-O 3.15Å; V30-C48 CarbonylContact O-C 3.58Å; V30-C48 WeakPolarHBondContact O-CA 3.16Å; V46-C48 PolarHBondContact O-N 3.18Å; C48-V84 VanDerWaalsContact SG-CG2 3.57Å
49V97.4Very high82Confident23 Ų2353.6 Ų53.614%0.13932%0.319CS..EExtended strand (participates in β ladder)trans-82.1-21.8-173.5-59.70000113.5T6 Q8 V30 E32 L47 Y81T6-V49 HydrophobicContact CG2-CG1 4.47Å; T6-V49 PolarHBondContact OG1-O 3.2Å; Q8-V49 PolarHBondContact NE2-O 3.47Å; V30-V49 PolarHBondContact O-N 3.49Å; E32-V49 HydrophobicContact CG-CG1 4.29Å; E32-V49 HydrophobicContact CG-CG2 4.25Å; L47-V49 HydrophobicContact CD2-CG1 4.21Å; L47-V49 HydrophobicContact CG-CG1 4.15Å; L47-V49 PolarHBondContact O-N 2.63Å; V49-Y81 HydrophobicContact CG2-CD1 4.03Å; V49-Y81 HydrophobicContact CG2-CE1 3.66Å
50D97.9Very high83.1Confident9 Ų946.5 Ų46.55%0.04830%0.301CS..EExtended strand (participates in β ladder)trans-155.8170.6176.8-155.5-1.6000111.1Q8 K12 V30Q8-D50 PolarHBondContact NE2-OD1 3.48Å; Q8-D50 PolarHBondContact NE2-OD2 3.14Å; K12-D50 VanDerWaalsContact CD-OD1 3.26Å; K12-D50 WeakPolarHBondContact CD-OD1 3.4Å; K12-D50 VanDerWaalsContact CE-OD1 3.25Å; K12-D50 WeakPolarHBondContact CE-OD1 3.39Å; K12-D50 IonicContact NZ-OD1 3.79Å; K12-D50 PolarHBondContact NZ-OD1 3.39Å; K12-D50 IonicContact NZ-OD2 2.91Å; K12-D50 PolarHBondContact NZ-OD2 2.9Å; V30-D50 HydrophobicContact CG2-CB 3.64Å; V30-D50 WeakPolarHBondContact CG2-O 3.32Å; V30-D50 PolarHBondContact N-O 3.31Å; V30-D50 PolarHBondContact O-N 2.75Å
51C98Very high84.9Confident0 Ų044.2 Ų44.20%029%0.288CS..EExtended strand (participates in β ladder)trans-134151.2166.679.40000111.9A9 K12 L28 L29 Y87A9-C51 PolarHBondContact O-SG 2.92Å; A9-C51 VanDerWaalsContact O-SG 3.37Å; K12-C51 WeakPolarHBondContact CB-SG 3.09Å; K12-C51 WeakPolarHBondContact CD-O 3.35Å; L28-C51 CarbonylContact O-C 3.54Å; L28-C51 WeakPolarHBondContact O-CA 3.25Å; L28-C51 VanDerWaalsContact O-CB 3.28Å; L28-C51 WeakPolarHBondContact O-CB 3.41Å; L29-C51 HydrophobicContact CD2-CB 3.75Å; C51-Y87 HydrophobicContact CB-CD1 4.3Å; C51-Y87 HydrophobicContact CB-CE1 3.97Å
52V98.4Very high86.6Confident4 Ų443.1 Ų43.12%0.02427%0.271CS..EExtended strand (participates in β ladder)trans-109.8107.6175.9-178.40000108.7G27 L28 L54 I72 W191G27-V52 CarbonylContact C-O 3.5Å; G27-V52 WeakPolarHBondContact CA-O 3.43Å; L28-V52 PolarHBondContact N-O 2.88Å; L28-V52 PolarHBondContact O-N 3.46Å; V52-L54 HydrophobicContact CG1-CD2 4.46Å; V52-L54 PolarHBondContact O-N 2.86Å; V52-I72 HydrophobicContact CB-CD1 4.21Å; V52-I72 HydrophobicContact CG1-CD1 3.58Å; V52-I72 HydrophobicContact CG1-CG1 4.24Å; V52-I72 HydrophobicContact CG2-CG2 4.28Å; V52-W191 HydrophobicContact CB-CE3 4.44Å; V52-W191 HydrophobicContact CG1-CD2 4.36Å; V52-W191 HydrophobicContact CG1-CE3 3.48Å; V52-W191 VanDerWaalsContact CG1-CE3 3.48Å; V52-W191 HydrophobicContact CG1-CZ3 3.95Å; V52-W191 HydrophobicContact CG2-CE3 4.06Å; V52-W191 HydrophobicContact CG2-CZ3 3.8Å
53P98.4Very high88.5Confident0 Ų038.4 Ų38.40%026%0.257CS..EExtended strand (participates in β ladder)trans-60.4125.2170.1-21.834.6000111.2H16 Y87 L177 D179 F180H16-P53 HydrophobicContact CB-CB 4.31Å; H16-P53 HydrophobicContact CB-CG 4.45Å; P53-Y87 VanDerWaalsContact CA-OH 3.26Å; P53-Y87 WeakPolarHBondContact CA-OH 3.46Å; P53-L177 HydrophobicContact CB-CD2 4.49Å; P53-L177 HydrophobicContact CG-CD1 4.17Å; P53-L177 HydrophobicContact CG-CD2 4.14Å; P53-L177 HydrophobicContact CG-CG 4.36Å; P53-D179 HydrophobicContact CB-CB 3.72Å; P53-D179 WeakPolarHBondContact O-CA 3.39Å; P53-F180 PolarHBondContact O-N 3.11Å
54L97.3Very high89.7Confident0 Ų038.5 Ų38.50%025%0.249CC..EExtended strand (participates in β ladder)trans-99.5-79.4-177.1-75-175.4000111.3N26 L28 V52 L65 A68 I72 F180 D181N26-L54 PolarHBondContact O-N 3.37Å; N26-L54 WeakPolarHBondContact OD1-CB 3.25Å; L28-L54 HydrophobicContact CD1-CD1 4.18Å; L28-L54 HydrophobicContact CD2-CD1 4.26Å; L28-L54 HydrophobicContact CG-CD1 3.8Å; L28-L54 HydrophobicContact CG-CG 4.29Å; V52-L54 HydrophobicContact CG1-CD2 4.46Å; V52-L54 PolarHBondContact O-N 2.86Å; L54-L65 HydrophobicContact CD1-CD1 4.13Å; L54-A68 HydrophobicContact CD2-CB 3.73Å; L54-I72 HydrophobicContact CD2-CD1 3.44Å; L54-I72 VanDerWaalsContact CD2-CD1 3.44Å; L54-F180 HydrophobicContact CD2-CB 3.95Å; L54-F180 HydrophobicContact CD2-CG 4.19Å; L54-F180 CarbonylContact O-C 3.53Å; L54-F180 WeakPolarHBondContact O-CA 3.4Å; L54-F180 WeakPolarHBondContact O-CB 3.29Å; L54-F180 PolarHBondContact O-N 3.05Å; L54-D181 PolarHBondContact O-N 2.82Å; L54-D181 VanDerWaalsContact O-N 3.09Å
55F96.9Very high90.5Very high7 Ų737.5 Ų37.53%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-130156.9-167.1-50.6-64.3000112.2H16 V25 N26 L59 M64 L65 A68 F180 D181 L184H16-F55 PolarHBondContact CE1-O 2.99Å; V25-F55 WeakPolarHBondContact CA-O 3.31Å; N26-F55 PolarHBondContact N-O 3.35Å; N26-F55 VanDerWaalsContact N-O 3.09Å; N26-F55 WeakPolarHBondContact OD1-CB 3.29Å; N26-F55 PolarHBondContact OD1-N 3.15Å; N26-F55 PolarHBondContact OD1-O 2.92Å; F55-L59 HydrophobicContact CB-CD2 4Å; F55-L59 WeakPolarHBondContact O-CD2 3.36Å; F55-M64 HydrophobicContact CE1-CB 4.03Å; F55-M64 HydrophobicContact CZ-CB 4Å; F55-L65 HydrophobicContact CE2-CB 4.08Å; F55-L65 HydrophobicContact CE2-CD1 4.08Å; F55-A68 HydrophobicContact CE2-CB 4.48Å; F55-A68 HydrophobicContact CZ-CB 3.84Å; F55-F180 HydrophobicContact CE1-CB 4.4Å; F55-F180 HydrophobicContact CE1-CD1 4.03Å; F55-F180 HydrophobicContact CZ-CD1 4.35Å; F55-D181 WeakPolarHBondContact CA-OD2 3.21Å; F55-D181 WeakPolarHBondContact CB-OD2 3.25Å; F55-D181 WeakPolarHBondContact CD1-OD1 3.4Å; F55-L184 HydrophobicContact CE1-CD1 4.47Å
56H95.5Very high90.7Very high50 Ų5040.8 Ų40.823%0.23124%0.243CC..EExtended strand (participates in β ladder)trans-129.8140.4172.258.7-89.2000111.6Y20 A24 V25 T58 D179 D181Y20-H56 HydrophobicContact CD1-CB 4.14Å; Y20-H56 AromaticContact CD1-CD2 3.78Å; Y20-H56 AromaticContact CD1-CG 3.86Å; Y20-H56 HydrophobicContact CD2-CB 3.53Å; Y20-H56 AromaticContact CD2-CG 3.81Å; Y20-H56 HydrophobicContact CE1-CB 4.39Å; Y20-H56 AromaticContact CE1-CD2 3.58Å; Y20-H56 AromaticContact CE1-CE1 3.8Å; Y20-H56 AromaticContact CE1-CG 3.69Å; Y20-H56 AromaticContact CE1-ND1 3.81Å; Y20-H56 AromaticContact CE1-NE2 3.64Å; Y20-H56 HydrophobicContact CE2-CB 3.8Å; Y20-H56 AromaticContact CE2-CG 3.62Å; Y20-H56 AromaticContact CE2-ND1 3.47Å; Y20-H56 WeakPolarHBondContact CE2-ND1 3.3Å; Y20-H56 HydrophobicContact CG-CB 3.69Å; Y20-H56 AromaticContact CG-CG 3.9Å; Y20-H56 AromaticContact CZ-CD2 3.87Å; Y20-H56 AromaticContact CZ-CE1 3.46Å; Y20-H56 VanDerWaalsContact CZ-CE1 3.46Å; Y20-H56 AromaticContact CZ-CG 3.53Å; Y20-H56 AromaticContact CZ-ND1 3.25Å; Y20-H56 AromaticContact CZ-NE2 3.82Å; Y20-H56 PolarHBondContact OH-CE1 3.32Å; Y20-H56 PolarHBondContact OH-ND1 3Å; A24-H56 CarbonylContact O-C 3.48Å; A24-H56 WeakPolarHBondContact O-CA 3.35Å; V25-H56 HydrophobicContact CG1-CB 4.04Å; H56-T58 PolarHBondContact O-N 3.41Å; H56-D179 IonicContact CE1-OD1 2.71Å; H56-D179 IonicContact CE1-OD2 3.54Å; H56-D179 PolarHBondContact CE1-OD2 3.15Å; H56-D179 IonicContact CG-OD2 3.48Å; H56-D179 IonicContact ND1-OD1 3.79Å; H56-D179 IonicContact ND1-OD2 3.14Å; H56-D179 PolarHBondContact ND1-OD2 3.45Å; H56-D181 VanDerWaalsContact CE1-CB 3.5Å; H56-D181 WeakPolarHBondContact CE1-CB 3.47Å; H56-D181 IonicContact CE1-OD2 3.98Å; H56-D181 IonicContact CG-OD2 3.96Å; H56-D181 PolarHBondContact N-OD2 3.48Å; H56-D181 IonicContact ND1-OD2 2.79Å
57G88.8Confident90.8Very high32 Ų3242.8 Ų42.833%0.3326%0.256SS..SBendtrans83.2-97-176.700000112A24 L59A24-G57 PolarHBondContact O-N 3.25Å; G57-L59 PolarHBondContact O-N 3.27Å; G57-L59 VanDerWaalsContact O-N 3.15Å
58T85.1Confident90.7Very high100 Ų10040.5 Ų40.561%0.61324%0.244SC*.  trans-88.583.8-173-52.30000112.1H56 A60 L61H56-T58 PolarHBondContact O-N 3.41Å; T58-A60 PolarHBondContact O-N 3.08Å; T58-A60 VanDerWaalsContact O-N 3.13Å; T58-L61 HydrophobicContact CG2-CD1 4.45Å; T58-L61 HydrophobicContact CG2-CD2 4.17Å; T58-L61 HydrophobicContact CG2-CG 3.99Å
59L80.2Confident90.5Very high14 Ų1442 Ų427%0.07325%0.252CS..THydrogen-bonded Turntrans-68.7-10.2-175.6-52.8-173.7000115.5A24 N26 F55 G57 Q88A24-L59 HydrophobicContact CB-CD1 3.58Å; A24-L59 HydrophobicContact CB-CD2 4.49Å; A24-L59 HydrophobicContact CB-CG 3.91Å; N26-L59 HydrophobicContact CB-CD1 4.08Å; N26-L59 HydrophobicContact CB-CD2 4.23Å; F55-L59 HydrophobicContact CB-CD2 4Å; F55-L59 WeakPolarHBondContact O-CD2 3.36Å; G57-L59 PolarHBondContact O-N 3.27Å; G57-L59 VanDerWaalsContact O-N 3.15Å; L59-Q88 HydrophobicContact CD1-CG 3.96Å
60A66.6Low90.3Very high66 Ų6645.2 Ų45.255%0.54527%0.271SS..THydrogen-bonded Turntrans-101.316-165.600000115.1T58 A62 V101T58-A60 PolarHBondContact O-N 3.08Å; T58-A60 VanDerWaalsContact O-N 3.13Å; A60-A62 PolarHBondContact O-N 2.53Å; A60-A62 VanDerWaalsContact O-N 3.13Å; A60-V101 HydrophobicContact CB-CG2 3.96Å
61L80.4Confident90.2Very high100 Ų10048.8 Ų48.852%0.52429%0.29SS..  trans-83.391.1178.8-60.2-179.3000110.4T58 P63 M64 L65T58-L61 HydrophobicContact CG2-CD1 4.45Å; T58-L61 HydrophobicContact CG2-CD2 4.17Å; T58-L61 HydrophobicContact CG2-CG 3.99Å; L61-P63 VanDerWaalsContact C-N 3.32Å; L61-M64 PolarHBondContact O-N 3.16Å; L61-M64 VanDerWaalsContact O-N 3.13Å; L61-L65 PolarHBondContact O-N 3.48Å
62A82.4Confident90.2Very high53 Ų5348.8 Ų48.844%0.43829%0.29SS..Hα-helixtrans-47.5-42.8-17700000114.7A60 M64 L65 E66A60-A62 PolarHBondContact O-N 2.53Å; A60-A62 VanDerWaalsContact O-N 3.13Å; A62-M64 PolarHBondContact O-N 3.03Å; A62-L65 PolarHBondContact O-N 3.13Å; A62-E66 WeakPolarHBondContact O-CG 3.43Å; A62-E66 PolarHBondContact O-N 2.92Å
63P88.1Confident90Very high86 Ų8650.8 Ų50.856%0.55830%0.301SS*.Hα-helixtrans-61.8-42.6-179.6-23.934.9000113.6L61 E66 V67L61-P63 VanDerWaalsContact C-N 3.32Å; P63-E66 PolarHBondContact O-N 3.47Å; P63-V67 WeakPolarHBondContact O-CG2 3.19Å; P63-V67 PolarHBondContact O-N 3.31Å; P63-V67 VanDerWaalsContact O-N 3.14Å
64M89.8Confident90Very high88 Ų8853.8 Ų53.843%0.43332%0.319SS..Hα-helixtrans-70.5-38.4-178.1-61.6-54168.300111.1F55 L61 A62 V67 A68 L184F55-M64 HydrophobicContact CE1-CB 4.03Å; F55-M64 HydrophobicContact CZ-CB 4Å; L61-M64 PolarHBondContact O-N 3.16Å; L61-M64 VanDerWaalsContact O-N 3.13Å; A62-M64 PolarHBondContact O-N 3.03Å; M64-V67 PolarHBondContact O-N 3.11Å; M64-A68 WeakPolarHBondContact O-CB 3.3Å; M64-A68 PolarHBondContact O-N 2.93Å; M64-L184 HydrophobicContact SD-CD1 4.05Å
65L89.9Confident90Very high22 Ų2256.5 Ų56.512%0.11533%0.329CS..Hα-helixtrans-63.2-41.9174.7175.664.3000112.4L54 F55 L61 A62 A68 L69 V105L54-L65 HydrophobicContact CD1-CD1 4.13Å; F55-L65 HydrophobicContact CE2-CB 4.08Å; F55-L65 HydrophobicContact CE2-CD1 4.08Å; L61-L65 PolarHBondContact O-N 3.48Å; A62-L65 PolarHBondContact O-N 3.13Å; L65-A68 PolarHBondContact O-N 2.95Å; L65-L69 HydrophobicContact CD1-CD1 4Å; L65-L69 HydrophobicContact CD1-CG 4.12Å; L65-L69 HydrophobicContact CG-CD1 3.99Å; L65-L69 WeakPolarHBondContact O-CB 3.31Å; L65-L69 VanDerWaalsContact O-CG 3.29Å; L65-L69 WeakPolarHBondContact O-CG 3.46Å; L65-L69 PolarHBondContact O-N 2.98Å; L65-V105 HydrophobicContact CD1-CG2 4.25Å; L65-V105 HydrophobicContact CD2-CG2 3.53Å; L65-V105 HydrophobicContact CG-CG2 4.44Å
66E90.3Very high90Very high128 Ų12856.2 Ų56.260%0.59833%0.328SS*.Hα-helixtrans-63.6-41.7176.8-75.8176.2-167.200112.1A62 P63 T70A62-E66 WeakPolarHBondContact O-CG 3.43Å; A62-E66 PolarHBondContact O-N 2.92Å; P63-E66 PolarHBondContact O-N 3.47Å; E66-T70 WeakPolarHBondContact O-CB 3.33Å; E66-T70 PolarHBondContact O-N 3.46Å; E66-T70 PolarHBondContact O-OG1 3.1Å
67V92.6Very high90Very high68 Ų6860.4 Ų60.441%0.41235%0.346SS..Hα-helixtrans-63.1-48.7174.9171.70000110.6P63 M64 L69 T70 L71P63-V67 WeakPolarHBondContact O-CG2 3.19Å; P63-V67 PolarHBondContact O-N 3.31Å; P63-V67 VanDerWaalsContact O-N 3.14Å; M64-V67 PolarHBondContact O-N 3.11Å; V67-L69 PolarHBondContact O-N 3.29Å; V67-T70 PolarHBondContact O-N 2.91Å; V67-L71 HydrophobicContact CG1-CD1 3.74Å; V67-L71 HydrophobicContact CG1-CG 4.43Å; V67-L71 WeakPolarHBondContact O-CG 3.45Å; V67-L71 PolarHBondContact O-N 3.4Å
68A93.5Very high90.4Very high0 Ų065.8 Ų65.80%036%0.362CS..Hα-helixtrans-59.8-48.1179.500000112L54 F55 M64 L65 T70 L71 I72 F180L54-A68 HydrophobicContact CD2-CB 3.73Å; F55-A68 HydrophobicContact CE2-CB 4.48Å; F55-A68 HydrophobicContact CZ-CB 3.84Å; M64-A68 WeakPolarHBondContact O-CB 3.3Å; M64-A68 PolarHBondContact O-N 2.93Å; L65-A68 PolarHBondContact O-N 2.95Å; A68-T70 VanDerWaalsContact C-N 3.3Å; A68-T70 PolarHBondContact O-N 3.18Å; A68-L71 PolarHBondContact O-N 3.45Å; A68-I72 HydrophobicContact CB-CD1 4.45Å; A68-I72 WeakPolarHBondContact O-CB 3.45Å; A68-I72 WeakPolarHBondContact O-CD1 3.4Å; A68-I72 VanDerWaalsContact O-CG1 3.25Å; A68-I72 WeakPolarHBondContact O-CG1 3.43Å; A68-I72 PolarHBondContact O-N 3.21Å; A68-F180 HydrophobicContact CB-CD1 3.63Å; A68-F180 HydrophobicContact CB-CD2 4.49Å; A68-F180 HydrophobicContact CB-CE1 3.54Å; A68-F180 HydrophobicContact CB-CE2 4.43Å; A68-F180 HydrophobicContact CB-CG 4.12Å; A68-F180 HydrophobicContact CB-CZ 3.98Å
69L92.5Very high90.9Very high32 Ų3264.5 Ų64.517%0.16835%0.351CS..Hα-helixtrans-58.7-41.9177.4-75.9169.3000111.9L28 L65 V67 D73L28-L69 HydrophobicContact CD1-CD2 3.72Å; L28-L69 HydrophobicContact CD2-CD2 3.89Å; L28-L69 HydrophobicContact CG-CD2 4.45Å; L65-L69 HydrophobicContact CD1-CD1 4Å; L65-L69 HydrophobicContact CD1-CG 4.12Å; L65-L69 HydrophobicContact CG-CD1 3.99Å; L65-L69 WeakPolarHBondContact O-CB 3.31Å; L65-L69 VanDerWaalsContact O-CG 3.29Å; L65-L69 WeakPolarHBondContact O-CG 3.46Å; L65-L69 PolarHBondContact O-N 2.98Å; V67-L69 PolarHBondContact O-N 3.29Å; L69-D73 WeakPolarHBondContact O-CB 3.44Å; L69-D73 PolarHBondContact O-N 2.66Å
70T94.6Very high91.7Very high90 Ų9069 Ų6955%0.55238%0.375SS*.Hα-helixtrans-66.9-44.1-179.9-57.30000112E66 V67 A68 T74E66-T70 WeakPolarHBondContact O-CB 3.33Å; E66-T70 PolarHBondContact O-N 3.46Å; E66-T70 PolarHBondContact O-OG1 3.1Å; V67-T70 PolarHBondContact O-N 2.91Å; A68-T70 VanDerWaalsContact C-N 3.3Å; A68-T70 PolarHBondContact O-N 3.18Å; T70-T74 PolarHBondContact O-N 3.07Å; T70-T74 VanDerWaalsContact O-N 3.12Å; T70-T74 PolarHBondContact O-OG1 2.64Å
71L95.8Very high93.1Very high84 Ų8468.8 Ų68.844%0.4436%0.361SS..Hα-helixtrans-68.4-44.9-179.9-72.3172.1000111.6V67 A68 T74 W75 F180V67-L71 HydrophobicContact CG1-CD1 3.74Å; V67-L71 HydrophobicContact CG1-CG 4.43Å; V67-L71 WeakPolarHBondContact O-CG 3.45Å; V67-L71 PolarHBondContact O-N 3.4Å; A68-L71 PolarHBondContact O-N 3.45Å; L71-T74 PolarHBondContact O-N 2.88Å; L71-W75 PolarHBondContact O-N 3.48Å; L71-F180 HydrophobicContact CB-CZ 4.49Å; L71-F180 HydrophobicContact CD1-CZ 3.8Å
72I96.7Very high93.9Very high0 Ų066.2 Ų66.20%035%0.348CS..Hα-helixtrans-68.3-40179.3-64.7164000110.7L28 V52 L54 A68 T74 W75 C76 I83 F180 W191L28-I72 HydrophobicContact CD1-CB 4.34Å; L28-I72 HydrophobicContact CD1-CD1 3.78Å; L28-I72 HydrophobicContact CD1-CG2 4.09Å; V52-I72 HydrophobicContact CB-CD1 4.21Å; V52-I72 HydrophobicContact CG1-CD1 3.58Å; V52-I72 HydrophobicContact CG1-CG1 4.24Å; V52-I72 HydrophobicContact CG2-CG2 4.28Å; L54-I72 HydrophobicContact CD2-CD1 3.44Å; L54-I72 VanDerWaalsContact CD2-CD1 3.44Å; A68-I72 HydrophobicContact CB-CD1 4.45Å; A68-I72 WeakPolarHBondContact O-CB 3.45Å; A68-I72 WeakPolarHBondContact O-CD1 3.4Å; A68-I72 VanDerWaalsContact O-CG1 3.25Å; A68-I72 WeakPolarHBondContact O-CG1 3.43Å; A68-I72 PolarHBondContact O-N 3.21Å; I72-T74 VanDerWaalsContact C-N 3.3Å; I72-T74 PolarHBondContact O-N 3.5Å; I72-W75 PolarHBondContact O-N 2.91Å; I72-C76 WeakPolarHBondContact O-CB 3.13Å; I72-C76 PolarHBondContact O-N 3.11Å; I72-C76 PolarHBondContact O-SG 2.81Å; I72-I83 HydrophobicContact CG2-CD1 4.21Å; I72-I83 HydrophobicContact CG2-CG1 4.4Å; I72-F180 HydrophobicContact CD1-CD2 4.45Å; I72-W191 HydrophobicContact CG1-CE3 4.48Å; I72-W191 HydrophobicContact CG1-CH2 3.94Å; I72-W191 HydrophobicContact CG1-CZ2 4.35Å; I72-W191 HydrophobicContact CG1-CZ3 4.02Å
73D95.6Very high94.6Very high47 Ų4764.5 Ų64.525%0.25133%0.331SS..Hα-helixtrans-60.9-39.7175.2178.862.5000111.9L69 C76 K77 I83L69-D73 WeakPolarHBondContact O-CB 3.44Å; L69-D73 PolarHBondContact O-N 2.66Å; D73-C76 PolarHBondContact O-N 2.96Å; D73-K77 VanDerWaalsContact O-CG 3.31Å; D73-K77 WeakPolarHBondContact O-CG 3.19Å; D73-K77 PolarHBondContact O-N 3.21Å; D73-K77 IonicContact OD1-NZ 3.78Å; D73-K77 WeakPolarHBondContact OD2-CE 3.35Å; D73-K77 IonicContact OD2-NZ 2.62Å; D73-K77 PolarHBondContact OD2-NZ 3.42Å; D73-I83 HydrophobicContact CB-CD1 4.2Å
74T97.1Very high95Very high63 Ų6360.4 Ų60.439%0.38730%0.304SS..Hα-helixtrans-63.6-50.3174.9-56.40000111T70 L71 I72 C76 K77 E78T70-T74 PolarHBondContact O-N 3.07Å; T70-T74 VanDerWaalsContact O-N 3.12Å; T70-T74 PolarHBondContact O-OG1 2.64Å; L71-T74 PolarHBondContact O-N 2.88Å; I72-T74 VanDerWaalsContact C-N 3.3Å; I72-T74 PolarHBondContact O-N 3.5Å; T74-C76 VanDerWaalsContact C-N 3.31Å; T74-C76 PolarHBondContact O-N 3.03Å; T74-K77 PolarHBondContact O-N 2.96Å; T74-E78 WeakPolarHBondContact O-CG 3.5Å; T74-E78 PolarHBondContact O-N 3.15Å; T74-E78 VanDerWaalsContact O-N 3.08Å
75W97.6Very high95.3Very high57 Ų5756.2 Ų56.222%0.21628%0.284CS..Hα-helixtrans-59-42176.4176.889.5000112L71 I72 K77 E78 N79 Y81 W191 T192L71-W75 PolarHBondContact O-N 3.48Å; I72-W75 PolarHBondContact O-N 2.91Å; W75-K77 PolarHBondContact O-N 3.1Å; W75-E78 PolarHBondContact O-N 2.93Å; W75-N79 PolarHBondContact NE1-ND2 3.32Å; W75-N79 WeakPolarHBondContact O-CB 3.36Å; W75-N79 PolarHBondContact O-N 3.4Å; W75-N79 PolarHBondContact O-ND2 3.02Å; W75-Y81 HydrophobicContact CE3-CD2 4.41Å; W75-Y81 AromaticContact CH2-CD2 3.58Å; W75-Y81 HydrophobicContact CH2-CD2 3.58Å; W75-Y81 AromaticContact CH2-CE2 3.61Å; W75-Y81 HydrophobicContact CH2-CE2 3.61Å; W75-Y81 HydrophobicContact CZ2-CD2 4.43Å; W75-Y81 HydrophobicContact CZ2-CE2 4.29Å; W75-Y81 AromaticContact CZ3-CD2 3.56Å; W75-Y81 HydrophobicContact CZ3-CD2 3.56Å; W75-Y81 HydrophobicContact CZ3-CE2 4.1Å; W75-Y81 HydrophobicContact CZ3-CG 4.37Å; W75-W191 HydrophobicContact CB-CH2 3.77Å; W75-W191 HydrophobicContact CB-CZ2 4.18Å; W75-W191 AromaticContact CD2-CH2 3.66Å; W75-W191 HydrophobicContact CD2-CH2 3.66Å; W75-W191 HydrophobicContact CD2-CZ3 4.22Å; W75-W191 AromaticContact CE3-CH2 4Å; W75-W191 HydrophobicContact CE3-CH2 4Å; W75-W191 HydrophobicContact CE3-CZ3 4.24Å; W75-W191 AromaticContact CG-CH2 3.55Å; W75-W191 HydrophobicContact CG-CH2 3.55Å; W75-W191 HydrophobicContact CG-CZ2 4.14Å; W75-T192 HydrophobicContact CZ2-CG2 3.89Å
76C97.1Very high95.7Very high0 Ų055.2 Ų55.20%028%0.278CS..Hα-helixtrans-59.4-47.1176.5-77.60000111.2I72 D73 T74 E78 N79 N80 Y81I72-C76 WeakPolarHBondContact O-CB 3.13Å; I72-C76 PolarHBondContact O-N 3.11Å; I72-C76 PolarHBondContact O-SG 2.81Å; D73-C76 PolarHBondContact O-N 2.96Å; T74-C76 VanDerWaalsContact C-N 3.31Å; T74-C76 PolarHBondContact O-N 3.03Å; C76-E78 VanDerWaalsContact C-N 3.32Å; C76-E78 PolarHBondContact O-N 2.88Å; C76-N79 CarbonylContact O-C 3.54Å; C76-N79 PolarHBondContact O-N 2.79Å; C76-N80 PolarHBondContact O-N 3.48Å; C76-Y81 CarbonylContact C-O 3.6Å; C76-Y81 PolarHBondContact O-N 2.89Å
77K95.4Very high96.1Very high139 Ų13949.1 Ų49.160%0.60425%0.25SC*.Hα-helixtrans-60.1-40.6178.2-74.5165.7178.7166.60112.5D73 T74 W75 N79D73-K77 VanDerWaalsContact O-CG 3.31Å; D73-K77 WeakPolarHBondContact O-CG 3.19Å; D73-K77 PolarHBondContact O-N 3.21Å; D73-K77 IonicContact OD1-NZ 3.78Å; D73-K77 WeakPolarHBondContact OD2-CE 3.35Å; D73-K77 IonicContact OD2-NZ 2.62Å; D73-K77 PolarHBondContact OD2-NZ 3.42Å; T74-K77 PolarHBondContact O-N 2.96Å; W75-K77 PolarHBondContact O-N 3.1Å; K77-N79 VanDerWaalsContact C-N 3.32Å
78E97.1Very high96.3Very high144 Ų14445.9 Ų45.967%0.67323%0.23SC*.Hα-helixtrans-68.7-30.3178.4-69.7177.2171.900112.8T74 W75 C76T74-E78 WeakPolarHBondContact O-CG 3.5Å; T74-E78 PolarHBondContact O-N 3.15Å; T74-E78 VanDerWaalsContact O-N 3.08Å; W75-E78 PolarHBondContact O-N 2.93Å; C76-E78 VanDerWaalsContact C-N 3.32Å; C76-E78 PolarHBondContact O-N 2.88Å
79N96.5Very high96.4Very high73 Ų7345.9 Ų45.939%0.3923%0.23SC..THydrogen-bonded Turntrans-104.912.5-175.1-67.2-83.1000114.1W75 C76 K77 Y81W75-N79 PolarHBondContact NE1-ND2 3.32Å; W75-N79 WeakPolarHBondContact O-CB 3.36Å; W75-N79 PolarHBondContact O-N 3.4Å; W75-N79 PolarHBondContact O-ND2 3.02Å; C76-N79 CarbonylContact O-C 3.54Å; C76-N79 PolarHBondContact O-N 2.79Å; K77-N79 VanDerWaalsContact C-N 3.32Å; N79-Y81 VanDerWaalsContact C-N 3.3Å; N79-Y81 HydrophobicContact CB-CD2 3.64Å; N79-Y81 HydrophobicContact CB-CE2 3.83Å; N79-Y81 PolarHBondContact O-N 3.11Å
80N95.6Very high96.5Very high108 Ų10845.2 Ų45.258%0.57823%0.227SC*.THydrogen-bonded Turntrans59.234.5-176.4-56.5-73.4000114.4K33 C76K33-N80 WeakPolarHBondContact CB-O 3.26Å; K33-N80 PolarHBondContact N-O 3.24Å; C76-N80 PolarHBondContact O-N 3.48Å
81Y96.9Very high96.2Very high62 Ų6247.8 Ų47.824%0.24323%0.232CC..EExtended strand (participates in β ladder)trans-103.3166.4169.1-63.2-63.5000111.8A31 E32 V49 W75 C76 N79A31-Y81 CarbonylContact O-C 3.52Å; A31-Y81 VanDerWaalsContact O-CA 3.26Å; A31-Y81 WeakPolarHBondContact O-CA 3.14Å; E32-Y81 HydrophobicContact CG-CD1 4.01Å; E32-Y81 HydrophobicContact CG-CE1 3.62Å; V49-Y81 HydrophobicContact CG2-CD1 4.03Å; V49-Y81 HydrophobicContact CG2-CE1 3.66Å; W75-Y81 HydrophobicContact CE3-CD2 4.41Å; W75-Y81 AromaticContact CH2-CD2 3.58Å; W75-Y81 HydrophobicContact CH2-CD2 3.58Å; W75-Y81 AromaticContact CH2-CE2 3.61Å; W75-Y81 HydrophobicContact CH2-CE2 3.61Å; W75-Y81 HydrophobicContact CZ2-CD2 4.43Å; W75-Y81 HydrophobicContact CZ2-CE2 4.29Å; W75-Y81 AromaticContact CZ3-CD2 3.56Å; W75-Y81 HydrophobicContact CZ3-CD2 3.56Å; W75-Y81 HydrophobicContact CZ3-CE2 4.1Å; W75-Y81 HydrophobicContact CZ3-CG 4.37Å; C76-Y81 CarbonylContact C-O 3.6Å; C76-Y81 PolarHBondContact O-N 2.89Å; N79-Y81 VanDerWaalsContact C-N 3.3Å; N79-Y81 HydrophobicContact CB-CD2 3.64Å; N79-Y81 HydrophobicContact CB-CE2 3.83Å; N79-Y81 PolarHBondContact O-N 3.11Å
82I96.6Very high95.8Very high47 Ų4750.2 Ų50.224%0.24124%0.241CC..EExtended strand (participates in β ladder)trans-138.7143.3168.9-174.9168.6000109.2V30 A31 V84 F113V30-I82 WeakPolarHBondContact CA-O 3.35Å; A31-I82 HydrophobicContact CB-CG2 4.4Å; A31-I82 PolarHBondContact N-O 2.76Å; A31-I82 PolarHBondContact O-N 3.37Å; I82-V84 HydrophobicContact CG2-CG1 3.84Å; I82-V84 PolarHBondContact O-N 3.03Å; I82-F113 HydrophobicContact CD1-CB 4.26Å; I82-F113 HydrophobicContact CD1-CD2 4.26Å
83I97.3Very high94.6Very high17 Ų1753.9 Ų53.99%0.08726%0.264CS..EExtended strand (participates in β ladder)trans-75.2121.6173-58.7163.4000108.1L28 V30 I72 D73 I109L28-I83 HydrophobicContact CB-CG2 4.29Å; L28-I83 HydrophobicContact CD1-CD1 4.17Å; L28-I83 HydrophobicContact CD2-CG2 4.2Å; V30-I83 HydrophobicContact CG1-CG1 4.35Å; I72-I83 HydrophobicContact CG2-CD1 4.21Å; I72-I83 HydrophobicContact CG2-CG1 4.4Å; D73-I83 HydrophobicContact CB-CD1 4.2Å; I83-I109 HydrophobicContact CG2-CD1 3.86Å; I83-I109 HydrophobicContact CG2-CG1 3.99Å; I83-I109 HydrophobicContact CG2-CG2 4.06Å
84V96.5Very high93.8Very high0 Ų060.4 Ų60.40%029%0.29CS..EExtended strand (participates in β ladder)trans-116.7-7-174.8-63.80000113.8L29 A31 V46 C48 I82 F113 A116 A117L29-V84 HydrophobicContact CB-CG2 4.22Å; L29-V84 PolarHBondContact O-N 2.73Å; A31-V84 HydrophobicContact CB-CB 4.36Å; A31-V84 HydrophobicContact CB-CG1 3.52Å; A31-V84 HydrophobicContact CB-CG2 3.92Å; V46-V84 HydrophobicContact CG1-CB 4.47Å; V46-V84 HydrophobicContact CG1-CG1 4.06Å; C48-V84 VanDerWaalsContact SG-CG2 3.57Å; I82-V84 HydrophobicContact CG2-CG1 3.84Å; I82-V84 PolarHBondContact O-N 3.03Å; V84-F113 HydrophobicContact CB-CD1 3.84Å; V84-F113 HydrophobicContact CB-CE1 3.6Å; V84-F113 HydrophobicContact CB-CG 4.49Å; V84-F113 HydrophobicContact CB-CZ 4.1Å; V84-F113 HydrophobicContact CG1-CD1 3.96Å; V84-F113 HydrophobicContact CG1-CD2 4.17Å; V84-F113 HydrophobicContact CG1-CE1 3.78Å; V84-F113 HydrophobicContact CG1-CE2 4.02Å; V84-F113 HydrophobicContact CG1-CG 4.15Å; V84-F113 HydrophobicContact CG1-CZ 3.82Å; V84-A116 VanDerWaalsContact O-CA 3.32Å; V84-A116 WeakPolarHBondContact O-CA 3.35Å; V84-A117 PolarHBondContact O-N 2.89Å
85G96.8Very high93.3Very high0 Ų059.1 Ų59.10%028%0.281CS..EExtended strand (participates in β ladder)trans-174.1178.6179.800000113.8L29 A117L29-G85 PolarHBondContact N-O 2.9Å; L29-G85 PolarHBondContact O-N 3.41Å; G85-A117 WeakPolarHBondContact CA-O 3.25Å
86Y97.8Very high92.7Very high0 Ų057.4 Ų57.40%028%0.278CS..EExtended strand (participates in β ladder)trans-131138.1179171.4-96.8000108.4N26 G27 L28 Q88 A102 V105 A117 I118 V119N26-Y86 HydrophobicContact CB-CE2 3.7Å; N26-Y86 WeakPolarHBondContact CB-OH 3.35Å; N26-Y86 PolarHBondContact ND2-OH 3.41Å; G27-Y86 CarbonylContact O-C 3.58Å; G27-Y86 WeakPolarHBondContact O-CA 3.44Å; G27-Y86 VanDerWaalsContact O-CD2 3.25Å; G27-Y86 WeakPolarHBondContact O-CD2 3.25Å; L28-Y86 HydrophobicContact CD2-CD2 4.26Å; Y86-Q88 HydrophobicContact CD1-CB 4.49Å; Y86-Q88 HydrophobicContact CE1-CB 3.64Å; Y86-Q88 HydrophobicContact CE1-CG 4.46Å; Y86-Q88 PolarHBondContact OH-OE1 3.4Å; Y86-A102 HydrophobicContact CD1-CB 3.96Å; Y86-A102 VanDerWaalsContact CE1-CA 3.46Å; Y86-A102 HydrophobicContact CE1-CB 3.5Å; Y86-A102 VanDerWaalsContact CE1-CB 3.5Å; Y86-V105 HydrophobicContact CD2-CB 4.13Å; Y86-V105 HydrophobicContact CD2-CG1 3.55Å; Y86-V105 HydrophobicContact CE2-CB 4.36Å; Y86-V105 HydrophobicContact CE2-CG1 4.1Å; Y86-V105 HydrophobicContact CE2-CG2 4.42Å; Y86-V105 HydrophobicContact CG-CB 4.35Å; Y86-V105 HydrophobicContact CG-CG1 3.99Å; Y86-A117 PolarHBondContact N-O 2.82Å; Y86-I118 HydrophobicContact CD1-CG2 4.39Å; Y86-I118 CarbonylContact O-C 3.6Å; Y86-I118 VanDerWaalsContact O-CA 3.3Å; Y86-I118 WeakPolarHBondContact O-CA 3.41Å; Y86-V119 PolarHBondContact O-N 2.98Å
87Y98.1Very high92.5Very high0 Ų065.5 Ų65.50%031%0.308CS..EExtended strand (participates in β ladder)trans-115.2153.4171.278.2-100000111.8M13 H16 N26 G27 L29 C51 P53 V119M13-Y87 HydrophobicContact CG-CD1 4.33Å; M13-Y87 HydrophobicContact CG-CD2 3.64Å; M13-Y87 HydrophobicContact CG-CE2 3.89Å; M13-Y87 HydrophobicContact CG-CG 3.88Å; M13-Y87 VanDerWaalsContact SD-CB 3.54Å; M13-Y87 HydrophobicContact SD-CD1 4.27Å; M13-Y87 HydrophobicContact SD-CD2 3.92Å; M13-Y87 HydrophobicContact SD-CG 3.67Å; H16-Y87 AromaticContact ND1-CE2 3.89Å; H16-Y87 AromaticContact ND1-CZ 3.79Å; H16-Y87 PolarHBondContact ND1-OH 3.33Å; N26-Y87 VanDerWaalsContact CA-O 3.25Å; N26-Y87 WeakPolarHBondContact CA-O 3.13Å; N26-Y87 WeakPolarHBondContact CB-O 3.22Å; G27-Y87 VanDerWaalsContact C-CD1 3.48Å; G27-Y87 PolarHBondContact N-O 3.4Å; G27-Y87 PolarHBondContact O-N 3.14Å; L29-Y87 HydrophobicContact CD2-CD1 4.33Å; C51-Y87 HydrophobicContact CB-CD1 4.3Å; C51-Y87 HydrophobicContact CB-CE1 3.97Å; P53-Y87 VanDerWaalsContact CA-OH 3.26Å; P53-Y87 WeakPolarHBondContact CA-OH 3.46Å; Y87-V119 CarbonylContact C-O 3.59Å; Y87-V119 WeakPolarHBondContact CA-O 3.25Å; Y87-V119 WeakPolarHBondContact CB-O 3Å
88Q97.4Very high92.4Very high0 Ų059.8 Ų59.80%029%0.285CS..EExtended strand (participates in β ladder)trans-151.5138.2175.5-177.3171.8-50.300111.8V25 N26 L59 Y86 N90 N99 V119 M120 V121V25-Q88 CarbonylContact O-C 3.5Å; V25-Q88 VanDerWaalsContact O-CA 3.32Å; V25-Q88 WeakPolarHBondContact O-CA 3.31Å; N26-Q88 HydrophobicContact CB-CB 4.44Å; L59-Q88 HydrophobicContact CD1-CG 3.96Å; Y86-Q88 HydrophobicContact CD1-CB 4.49Å; Y86-Q88 HydrophobicContact CE1-CB 3.64Å; Y86-Q88 HydrophobicContact CE1-CG 4.46Å; Y86-Q88 PolarHBondContact OH-OE1 3.4Å; Q88-N90 PolarHBondContact NE2-OD1 3.09Å; Q88-N99 VanDerWaalsContact NE2-CG 3.26Å; Q88-N99 PolarHBondContact NE2-ND2 2.77Å; Q88-N99 PolarHBondContact NE2-OD1 3.44Å; Q88-V119 PolarHBondContact N-O 2.96Å; Q88-M120 HydrophobicContact CB-CE 4.09Å; Q88-M120 HydrophobicContact CB-SD 4.04Å; Q88-M120 HydrophobicContact CG-CE 4.21Å; Q88-M120 CarbonylContact O-C 3.53Å; Q88-M120 VanDerWaalsContact O-CA 3.31Å; Q88-M120 WeakPolarHBondContact O-CA 3.47Å; Q88-V121 PolarHBondContact O-N 3.24Å
89A96.3Very high92.2Very high0 Ų055.8 Ų55.80%027%0.269CS..EExtended strand (participates in β ladder)trans-109.5128.4161.800000107.9T17 A24 V25 V121 S123T17-A89 HydrophobicContact CG2-CB 4.01Å; A24-A89 CarbonylContact C-O 3.58Å; A24-A89 VanDerWaalsContact CA-O 3.24Å; A24-A89 WeakPolarHBondContact CA-O 3.26Å; V25-A89 HydrophobicContact CG2-CB 3.58Å; V25-A89 PolarHBondContact N-O 3.25Å; V25-A89 PolarHBondContact O-N 3.07Å; A89-V121 HydrophobicContact CB-CB 3.83Å; A89-V121 HydrophobicContact CB-CG1 4.48Å; A89-S123 WeakPolarHBondContact CB-OG 3.38Å
90N94.4Very high92Very high19 Ų1959.2 Ų59.210%0.10228%0.282CS..  trans-80.1152.4178.5-72.5-27.8000110.7Q88 Q92 D95 R97Q88-N90 PolarHBondContact NE2-OD1 3.09Å; N90-Q92 VanDerWaalsContact C-N 3.29Å; N90-Q92 PolarHBondContact O-N 3.42Å; N90-D95 VanDerWaalsContact CB-O 3.23Å; N90-D95 WeakPolarHBondContact CB-O 3.47Å; N90-D95 PolarHBondContact ND2-O 2.98Å; N90-R97 PolarHBondContact ND2-O 2.86Å
91E88.6Confident91.8Very high143 Ų14355.6 Ų55.667%0.66826%0.264SS*.SBendtrans-63.1-38174.2-174.6-176.6178.600111.5A24 T93A24-E91 HydrophobicContact CB-CB 4.18Å; E91-T93 PolarHBondContact O-N 3.02Å
92Q85.6Confident91.7Very high135 Ų13552.7 Ų52.763%0.63125%0.252SS*.SBendtrans-77.9111.7177.1-171.3171.527.100110.4N90 K94 D95N90-Q92 VanDerWaalsContact C-N 3.29Å; N90-Q92 PolarHBondContact O-N 3.42Å; Q92-K94 PolarHBondContact O-N 2.89Å; Q92-D95 HydrophobicContact CB-CB 4.22Å; Q92-D95 HydrophobicContact CG-CB 4.44Å; Q92-D95 PolarHBondContact O-N 3.39Å
93T72.2Confident91.6Very high78 Ų7854.3 Ų54.348%0.47926%0.259SS..THydrogen-bonded Turntrans-53.2-22.8-173.150.80000116.1E91 S124E91-T93 PolarHBondContact O-N 3.02Å; T93-S124 WeakPolarHBondContact O-CB 3.36Å; T93-S124 PolarHBondContact O-OG 2.83Å
94K79.6Confident91.4Very high184 Ų18460.6 Ų60.680%0.829%0.286SS*.THydrogen-bonded Turntrans-109.92.8-179.8-65.4-175.5178.1-178.50114.4Q92Q92-K94 PolarHBondContact O-N 2.89Å
95D85.8Confident91.2Very high36 Ų3660.8 Ų60.819%0.19329%0.287CS..  trans-102.8100.4175.7-165.4-5000109.7N90 Q92 R97N90-D95 VanDerWaalsContact CB-O 3.23Å; N90-D95 WeakPolarHBondContact CB-O 3.47Å; N90-D95 PolarHBondContact ND2-O 2.98Å; Q92-D95 HydrophobicContact CB-CB 4.22Å; Q92-D95 HydrophobicContact CG-CB 4.44Å; Q92-D95 PolarHBondContact O-N 3.39Å; D95-R97 VanDerWaalsContact OD1-CB 3.3Å; D95-R97 WeakPolarHBondContact OD1-CB 3.33Å; D95-R97 WeakPolarHBondContact OD1-CG 3.25Å; D95-R97 IonicContact OD1-CZ 3.53Å; D95-R97 PolarHBondContact OD1-N 2.94Å; D95-R97 VanDerWaalsContact OD1-N 3.07Å; D95-R97 IonicContact OD1-NE 3.01Å; D95-R97 PolarHBondContact OD1-NE 3.24Å; D95-R97 IonicContact OD1-NH2 2.88Å; D95-R97 IonicContact OD2-CZ 2.89Å; D95-R97 IonicContact OD2-NE 3.66Å; D95-R97 IonicContact OD2-NH2 3.69Å; D95-R97 PolarHBondContact OD2-NH2 3.46Å
96S86Confident91.1Very high20 Ų2060.8 Ų60.814%0.1429%0.287CS..  trans-101.319.9176.5-51.50000112M120 F136S96-M120 VanDerWaalsContact O-CB 3.24Å; S96-M120 WeakPolarHBondContact O-CB 3.47Å; S96-M120 VanDerWaalsContact O-CG 3.27Å; S96-M120 WeakPolarHBondContact O-CG 3.48Å; S96-F136 VanDerWaalsContact CB-CE2 3.42Å
97R92Very high90.9Very high171 Ų17162.9 Ų62.965%0.64530%0.304SS*.SBendtrans-87.3141.7-179.3-61172-61.8169.56.7111.1N90 D95 N99 M120N90-R97 PolarHBondContact ND2-O 2.86Å; D95-R97 VanDerWaalsContact OD1-CB 3.3Å; D95-R97 WeakPolarHBondContact OD1-CB 3.33Å; D95-R97 WeakPolarHBondContact OD1-CG 3.25Å; D95-R97 IonicContact OD1-CZ 3.53Å; D95-R97 PolarHBondContact OD1-N 2.94Å; D95-R97 VanDerWaalsContact OD1-N 3.07Å; D95-R97 IonicContact OD1-NE 3.01Å; D95-R97 PolarHBondContact OD1-NE 3.24Å; D95-R97 IonicContact OD1-NH2 2.88Å; D95-R97 IonicContact OD2-CZ 2.89Å; D95-R97 IonicContact OD2-NE 3.66Å; D95-R97 IonicContact OD2-NH2 3.69Å; D95-R97 PolarHBondContact OD2-NH2 3.46Å; R97-N99 PolarHBondContact O-N 3.03Å; R97-M120 WeakPolarHBondContact O-CE 3.32Å
98P94Very high90.7Very high18 Ų1869.4 Ų69.412%0.11733%0.329CS..  trans-61.5123.3171.5-21.331.8000111.2A102 Q103 I118 M120P98-A102 HydrophobicContact CB-CB 4.02Å; P98-Q103 HydrophobicContact CB-CG 4.27Å; P98-I118 HydrophobicContact CB-CD1 4.08Å; P98-I118 HydrophobicContact CB-CG2 4.21Å; P98-I118 HydrophobicContact CG-CD1 4.4Å; P98-I118 HydrophobicContact CG-CG2 4.08Å; P98-M120 HydrophobicContact CB-SD 4.08Å; P98-M120 HydrophobicContact CG-CG 3.8Å; P98-M120 HydrophobicContact CG-SD 3.93Å
99N92.9Very high90.5Very high61 Ų6169.9 Ų69.933%0.32633%0.331SS..  trans-79.1179.1172.573.514.8000111.3Q88 R97 V101 A102 Q103Q88-N99 VanDerWaalsContact NE2-CG 3.26Å; Q88-N99 PolarHBondContact NE2-ND2 2.77Å; Q88-N99 PolarHBondContact NE2-OD1 3.44Å; R97-N99 PolarHBondContact O-N 3.03Å; N99-V101 VanDerWaalsContact C-N 3.26Å; N99-V101 PolarHBondContact O-N 2.89Å; N99-V101 WeakPolarHBondContact OD1-CA 3.1Å; N99-V101 WeakPolarHBondContact OD1-CB 3.3Å; N99-V101 PolarHBondContact OD1-N 3.06Å; N99-A102 PolarHBondContact O-N 3.13Å; N99-A102 PolarHBondContact OD1-N 3.48Å; N99-Q103 WeakPolarHBondContact O-CG 3.12Å; N99-Q103 PolarHBondContact O-N 2.92Å; N99-Q103 VanDerWaalsContact O-N 3.11Å
100Q91.5Very high90.4Very high145 Ų14571.4 Ų71.468%0.67834%0.342SS*.Hα-helixtrans-62.7-30.5-179.7-67.1-175.113.900113.5K104Q100-K104 WeakPolarHBondContact O-CB 3.45Å; Q100-K104 VanDerWaalsContact O-CG 3.31Å; Q100-K104 WeakPolarHBondContact O-CG 3.38Å; Q100-K104 PolarHBondContact O-N 2.83Å
101V91.4Very high90.2Very high32 Ų3276.4 Ų76.419%0.19436%0.364CS..Hα-helixtrans-66.5-50.6177.2178.20000109.3A60 N99 Q103 K104 V105A60-V101 HydrophobicContact CB-CG2 3.96Å; N99-V101 VanDerWaalsContact C-N 3.26Å; N99-V101 PolarHBondContact O-N 2.89Å; N99-V101 WeakPolarHBondContact OD1-CA 3.1Å; N99-V101 WeakPolarHBondContact OD1-CB 3.3Å; N99-V101 PolarHBondContact OD1-N 3.06Å; V101-Q103 VanDerWaalsContact C-N 3.3Å; V101-Q103 PolarHBondContact O-N 2.71Å; V101-K104 PolarHBondContact O-N 3.01Å; V101-K104 VanDerWaalsContact O-N 3.16Å; V101-V105 HydrophobicContact CG1-CG2 4.28Å; V101-V105 WeakPolarHBondContact O-CG2 3.25Å; V101-V105 PolarHBondContact O-N 2.93Å
102A94.4Very high90.3Very high0 Ų075.2 Ų75.20%036%0.363CS..Hα-helixtrans-53.8-47.2176.300000112.1Y86 P98 N99 K104 V105 A106 I118Y86-A102 HydrophobicContact CD1-CB 3.96Å; Y86-A102 VanDerWaalsContact CE1-CA 3.46Å; Y86-A102 HydrophobicContact CE1-CB 3.5Å; Y86-A102 VanDerWaalsContact CE1-CB 3.5Å; P98-A102 HydrophobicContact CB-CB 4.02Å; N99-A102 PolarHBondContact O-N 3.13Å; N99-A102 PolarHBondContact OD1-N 3.48Å; A102-K104 PolarHBondContact O-N 2.62Å; A102-V105 PolarHBondContact O-N 3.3Å; A102-A106 VanDerWaalsContact O-CB 3.25Å; A102-A106 WeakPolarHBondContact O-CB 3.41Å; A102-A106 PolarHBondContact O-N 2.91Å; A102-I118 HydrophobicContact CB-CD1 4.45Å; A102-I118 HydrophobicContact CB-CG2 4.35Å
103Q94.6Very high90.6Very high82 Ų8270.1 Ų70.138%0.38334%0.338SS..Hα-helixtrans-64.6-40.2179.9-66.8177.4300112.6P98 N99 V101 A107 I118P98-Q103 HydrophobicContact CB-CG 4.27Å; N99-Q103 WeakPolarHBondContact O-CG 3.12Å; N99-Q103 PolarHBondContact O-N 2.92Å; N99-Q103 VanDerWaalsContact O-N 3.11Å; V101-Q103 VanDerWaalsContact C-N 3.3Å; V101-Q103 PolarHBondContact O-N 2.71Å; Q103-A107 VanDerWaalsContact O-CB 3.23Å; Q103-A107 WeakPolarHBondContact O-CB 3.39Å; Q103-A107 PolarHBondContact O-N 3.27Å; Q103-I118 HydrophobicContact CG-CD1 4.47Å
104K92.8Very high91.4Very high148 Ų14871 Ų7164%0.64335%0.348SS*.Hα-helixtrans-68.6-43.7177.9-77.4179.7178.7-178.20112.1Q100 V101 A102 A107 R108Q100-K104 WeakPolarHBondContact O-CB 3.45Å; Q100-K104 VanDerWaalsContact O-CG 3.31Å; Q100-K104 WeakPolarHBondContact O-CG 3.38Å; Q100-K104 PolarHBondContact O-N 2.83Å; V101-K104 PolarHBondContact O-N 3.01Å; V101-K104 VanDerWaalsContact O-N 3.16Å; A102-K104 PolarHBondContact O-N 2.62Å; K104-A107 PolarHBondContact O-N 2.66Å; K104-R108 PolarHBondContact O-N 3.15Å
105V94.1Very high91.9Very high5 Ų565 Ų653%0.0332%0.323CS..Hα-helixtrans-63-48177.51770000110.2L28 L65 Y86 V101 A102 A107 R108 I109L28-V105 HydrophobicContact CD2-CG1 4.42Å; L65-V105 HydrophobicContact CD1-CG2 4.25Å; L65-V105 HydrophobicContact CD2-CG2 3.53Å; L65-V105 HydrophobicContact CG-CG2 4.44Å; Y86-V105 HydrophobicContact CD2-CB 4.13Å; Y86-V105 HydrophobicContact CD2-CG1 3.55Å; Y86-V105 HydrophobicContact CE2-CB 4.36Å; Y86-V105 HydrophobicContact CE2-CG1 4.1Å; Y86-V105 HydrophobicContact CE2-CG2 4.42Å; Y86-V105 HydrophobicContact CG-CB 4.35Å; Y86-V105 HydrophobicContact CG-CG1 3.99Å; V101-V105 HydrophobicContact CG1-CG2 4.28Å; V101-V105 WeakPolarHBondContact O-CG2 3.25Å; V101-V105 PolarHBondContact O-N 2.93Å; A102-V105 PolarHBondContact O-N 3.3Å; V105-A107 VanDerWaalsContact C-N 3.33Å; V105-A107 PolarHBondContact O-N 2.96Å; V105-R108 WeakPolarHBondContact O-CB 3.49Å; V105-R108 PolarHBondContact O-N 2.97Å; V105-R108 VanDerWaalsContact O-N 3.08Å; V105-I109 HydrophobicContact CG1-CD1 3.99Å; V105-I109 WeakPolarHBondContact O-CG1 3.25Å; V105-I109 PolarHBondContact O-N 3.31Å
106A94.7Very high92.3Very high0 Ų063.3 Ų63.30%031%0.313CS..Hα-helixtrans-65.5-35.8179.100000112.6A102 R108 I109 S110 I118 W145A102-A106 VanDerWaalsContact O-CB 3.25Å; A102-A106 WeakPolarHBondContact O-CB 3.41Å; A102-A106 PolarHBondContact O-N 2.91Å; A106-R108 VanDerWaalsContact C-N 3.33Å; A106-R108 PolarHBondContact O-N 3.41Å; A106-I109 PolarHBondContact O-N 3.42Å; A106-S110 WeakPolarHBondContact O-CB 3.26Å; A106-S110 PolarHBondContact O-N 3.04Å; A106-I118 HydrophobicContact CB-CD1 3.68Å; A106-I118 HydrophobicContact CB-CG1 3.36Å; A106-W145 HydrophobicContact CB-CH2 3.44Å; A106-W145 VanDerWaalsContact CB-CH2 3.44Å; A106-W145 HydrophobicContact CB-CZ2 3.37Å; A106-W145 HydrophobicContact CB-CZ3 4.26Å
107A93.3Very high92.7Very high43 Ų4362.3 Ų62.336%0.35531%0.307SS..Hα-helixtrans-61-41.8170.600000111.6Q103 K104 V105 S110 E111Q103-A107 VanDerWaalsContact O-CB 3.23Å; Q103-A107 WeakPolarHBondContact O-CB 3.39Å; Q103-A107 PolarHBondContact O-N 3.27Å; K104-A107 PolarHBondContact O-N 2.66Å; V105-A107 VanDerWaalsContact C-N 3.33Å; V105-A107 PolarHBondContact O-N 2.96Å; A107-S110 WeakPolarHBondContact O-CB 3.47Å; A107-S110 PolarHBondContact O-N 3.35Å; A107-S110 PolarHBondContact O-OG 2.94Å; A107-E111 PolarHBondContact O-N 2.81Å
108R92.6Very high93Very high137 Ų13754.2 Ų54.252%0.51728%0.276SS..Hα-helixtrans-64.5-40.3175.5-178.257.9176.61677.5112.4K104 V105 A106 S110 E111K104-R108 PolarHBondContact O-N 3.15Å; V105-R108 WeakPolarHBondContact O-CB 3.49Å; V105-R108 PolarHBondContact O-N 2.97Å; V105-R108 VanDerWaalsContact O-N 3.08Å; A106-R108 VanDerWaalsContact C-N 3.33Å; A106-R108 PolarHBondContact O-N 3.41Å; R108-S110 VanDerWaalsContact C-N 3.27Å; R108-S110 PolarHBondContact O-N 3.03Å; R108-E111 VanDerWaalsContact CD-OE1 3.26Å; R108-E111 WeakPolarHBondContact CD-OE1 2.72Å; R108-E111 IonicContact CZ-OE1 3.92Å; R108-E111 IonicContact CZ-OE2 3.74Å; R108-E111 IonicContact NH1-OE1 2.98Å; R108-E111 PolarHBondContact NH1-OE1 3.23Å; R108-E111 IonicContact NH1-OE2 2.64Å; R108-E111 PolarHBondContact NH1-OE2 2.96Å; R108-E111 WeakPolarHBondContact O-CB 3.36Å; R108-E111 PolarHBondContact O-N 3.11Å
109I94.6Very high93.1Very high11 Ų1153.3 Ų53.36%0.05627%0.271CS..Hα-helixtrans-62.6-39.1173.9-64166.4000110L28 I83 V105 A106 E111 N112 F113 A116L28-I109 HydrophobicContact CD2-CD1 3.96Å; I83-I109 HydrophobicContact CG2-CD1 3.86Å; I83-I109 HydrophobicContact CG2-CG1 3.99Å; I83-I109 HydrophobicContact CG2-CG2 4.06Å; V105-I109 HydrophobicContact CG1-CD1 3.99Å; V105-I109 WeakPolarHBondContact O-CG1 3.25Å; V105-I109 PolarHBondContact O-N 3.31Å; A106-I109 PolarHBondContact O-N 3.42Å; I109-E111 PolarHBondContact O-N 2.77Å; I109-E111 VanDerWaalsContact O-N 3.13Å; I109-N112 PolarHBondContact O-N 3.45Å; I109-F113 PolarHBondContact O-N 2.72Å; I109-A116 HydrophobicContact CB-CB 4.22Å; I109-A116 HydrophobicContact CG2-CB 3.79Å
110S92.8Very high93.3Very high31 Ų3150.4 Ų50.422%0.21726%0.255CS..Hα-helixtrans-63.1-20.4-178.180.20000114.8A106 A107 R108 N112 F113A106-S110 WeakPolarHBondContact O-CB 3.26Å; A106-S110 PolarHBondContact O-N 3.04Å; A107-S110 WeakPolarHBondContact O-CB 3.47Å; A107-S110 PolarHBondContact O-N 3.35Å; A107-S110 PolarHBondContact O-OG 2.94Å; R108-S110 VanDerWaalsContact C-N 3.27Å; R108-S110 PolarHBondContact O-N 3.03Å; S110-N112 VanDerWaalsContact C-N 3.28Å; S110-N112 PolarHBondContact O-N 3.33Å; S110-F113 VanDerWaalsContact CA-O 3.31Å; S110-F113 WeakPolarHBondContact CA-O 3.39Å; S110-F113 CarbonylContact O-C 3.58Å
111E91.3Very high93.5Very high124 Ų12443.6 Ų43.658%0.57922%0.223SC*.THydrogen-bonded Turntrans-65.9-31.3173-63.1-179.2-137.300112.6A107 R108 I109A107-E111 PolarHBondContact O-N 2.81Å; R108-E111 VanDerWaalsContact CD-OE1 3.26Å; R108-E111 WeakPolarHBondContact CD-OE1 2.72Å; R108-E111 IonicContact CZ-OE1 3.92Å; R108-E111 IonicContact CZ-OE2 3.74Å; R108-E111 IonicContact NH1-OE1 2.98Å; R108-E111 PolarHBondContact NH1-OE1 3.23Å; R108-E111 IonicContact NH1-OE2 2.64Å; R108-E111 PolarHBondContact NH1-OE2 2.96Å; R108-E111 WeakPolarHBondContact O-CB 3.36Å; R108-E111 PolarHBondContact O-N 3.11Å; I109-E111 PolarHBondContact O-N 2.77Å; I109-E111 VanDerWaalsContact O-N 3.13Å
112N89.8Confident93.6Very high118 Ų11842.9 Ų42.963%0.63122%0.218SC*.THydrogen-bonded Turntrans-103-24.2179.1-66.4-50.6000112.8I109 S110I109-N112 PolarHBondContact O-N 3.45Å; S110-N112 VanDerWaalsContact C-N 3.28Å; S110-N112 PolarHBondContact O-N 3.33Å
113F91.6Very high93.5Very high28 Ų2844.2 Ų44.212%0.12323%0.228CC..  trans-14096.7179.9179.7-105.3000110.3V46 I82 V84 I109 S110 E115 A116V46-F113 HydrophobicContact CB-CZ 4.32Å; V46-F113 HydrophobicContact CG1-CZ 3.96Å; V46-F113 HydrophobicContact CG2-CE2 4.46Å; V46-F113 HydrophobicContact CG2-CZ 3.95Å; I82-F113 HydrophobicContact CD1-CB 4.26Å; I82-F113 HydrophobicContact CD1-CD2 4.26Å; V84-F113 HydrophobicContact CB-CD1 3.84Å; V84-F113 HydrophobicContact CB-CE1 3.6Å; V84-F113 HydrophobicContact CB-CG 4.49Å; V84-F113 HydrophobicContact CB-CZ 4.1Å; V84-F113 HydrophobicContact CG1-CD1 3.96Å; V84-F113 HydrophobicContact CG1-CD2 4.17Å; V84-F113 HydrophobicContact CG1-CE1 3.78Å; V84-F113 HydrophobicContact CG1-CE2 4.02Å; V84-F113 HydrophobicContact CG1-CG 4.15Å; V84-F113 HydrophobicContact CG1-CZ 3.82Å; I109-F113 PolarHBondContact O-N 2.72Å; S110-F113 VanDerWaalsContact CA-O 3.31Å; S110-F113 WeakPolarHBondContact CA-O 3.39Å; S110-F113 CarbonylContact O-C 3.58Å; F113-E115 HydrophobicContact CD1-CB 4.49Å; F113-E115 HydrophobicContact CE1-CB 3.76Å; F113-E115 WeakPolarHBondContact CE1-O 3.28Å; F113-E115 HydrophobicContact CE2-CB 4.47Å; F113-E115 HydrophobicContact CZ-CB 3.74Å; F113-E115 PolarHBondContact O-N 2.79Å; F113-A116 HydrophobicContact CD1-CB 4.24Å; F113-A116 WeakPolarHBondContact O-CB 3.38Å; F113-A116 PolarHBondContact O-N 3.25Å
114S89.3Confident93.3Very high96 Ų9643.4 Ų43.467%0.67123%0.231SC*.THydrogen-bonded Turntrans-59.5-19-169.854.40000115.3
115E90Very high93.3Very high59 Ų5939.6 Ų39.628%0.27621%0.213SC..THydrogen-bonded Turntrans-100.223.3-178.3-55.7-179.2104.700112.1M1 F113M1-E115 WeakPolarHBondContact CA-OE1 3.42Å; M1-E115 VanDerWaalsContact CB-OE1 3.25Å; M1-E115 WeakPolarHBondContact CB-OE1 3.37Å; M1-E115 WeakPolarHBondContact CE-OE1 3.2Å; M1-E115 WeakPolarHBondContact CE-OE2 3.31Å; M1-E115 WeakPolarHBondContact CG-OE1 3.48Å; M1-E115 PolarHBondContact N-OE1 3.44Å; F113-E115 HydrophobicContact CD1-CB 4.49Å; F113-E115 HydrophobicContact CE1-CB 3.76Å; F113-E115 WeakPolarHBondContact CE1-O 3.28Å; F113-E115 HydrophobicContact CE2-CB 4.47Å; F113-E115 HydrophobicContact CZ-CB 3.74Å; F113-E115 PolarHBondContact O-N 2.79Å
116A93.7Very high93.2Very high0 Ų041.2 Ų41.20%022%0.221CC..  trans-53.1142.3179.600000112.4V84 I109 F113 W145V84-A116 VanDerWaalsContact O-CA 3.32Å; V84-A116 WeakPolarHBondContact O-CA 3.35Å; I109-A116 HydrophobicContact CB-CB 4.22Å; I109-A116 HydrophobicContact CG2-CB 3.79Å; F113-A116 HydrophobicContact CD1-CB 4.24Å; F113-A116 WeakPolarHBondContact O-CB 3.38Å; F113-A116 PolarHBondContact O-N 3.25Å; A116-W145 HydrophobicContact CB-CH2 4.48Å; A116-W145 VanDerWaalsContact O-CZ3 3.29Å; A116-W145 WeakPolarHBondContact O-CZ3 3.4Å
117A95.4Very high93.2Very high0 Ų044.3 Ų44.30%024%0.24CC..EExtended strand (participates in β ladder)trans-123.7152.3179.600000112.2I3 V84 G85 Y86 I137 H138I3-A117 HydrophobicContact CD1-CB 3.51Å; I3-A117 HydrophobicContact CG1-CB 3.76Å; I3-A117 HydrophobicContact CG2-CB 4.11Å; V84-A117 PolarHBondContact O-N 2.89Å; G85-A117 WeakPolarHBondContact CA-O 3.25Å; Y86-A117 PolarHBondContact N-O 2.82Å; A117-I137 HydrophobicContact CB-CG2 4.32Å; A117-H138 WeakPolarHBondContact CA-O 3.47Å
118I97.3Very high93.2Very high0 Ų046.4 Ų46.40%024%0.243CC..EExtended strand (participates in β ladder)trans-106.5127.2167.5-57.3171.9000108.6Y86 P98 A102 Q103 A106 M120 I137 H138 W145Y86-I118 HydrophobicContact CD1-CG2 4.39Å; Y86-I118 CarbonylContact O-C 3.6Å; Y86-I118 VanDerWaalsContact O-CA 3.3Å; Y86-I118 WeakPolarHBondContact O-CA 3.41Å; P98-I118 HydrophobicContact CB-CD1 4.08Å; P98-I118 HydrophobicContact CB-CG2 4.21Å; P98-I118 HydrophobicContact CG-CD1 4.4Å; P98-I118 HydrophobicContact CG-CG2 4.08Å; A102-I118 HydrophobicContact CB-CD1 4.45Å; A102-I118 HydrophobicContact CB-CG2 4.35Å; Q103-I118 HydrophobicContact CG-CD1 4.47Å; A106-I118 HydrophobicContact CB-CD1 3.68Å; A106-I118 HydrophobicContact CB-CG1 3.36Å; I118-M120 HydrophobicContact CG2-CG 4.18Å; I118-M120 HydrophobicContact CG2-SD 3.76Å; I118-I137 CarbonylContact O-C 3.49Å; I118-H138 HydrophobicContact CB-CB 4.19Å; I118-H138 PolarHBondContact N-O 2.71Å; I118-H138 PolarHBondContact O-N 3.39Å; I118-W145 HydrophobicContact CD1-CD2 3.51Å; I118-W145 HydrophobicContact CD1-CE3 3.77Å; I118-W145 HydrophobicContact CD1-CG 3.89Å; I118-W145 HydrophobicContact CD1-CH2 4.41Å; I118-W145 HydrophobicContact CD1-CZ2 4.19Å; I118-W145 HydrophobicContact CD1-CZ3 4.2Å; I118-W145 HydrophobicContact CG1-CD2 4.14Å; I118-W145 HydrophobicContact CG1-CE3 3.87Å; I118-W145 HydrophobicContact CG1-CH2 4.23Å; I118-W145 HydrophobicContact CG1-CZ2 4.47Å; I118-W145 HydrophobicContact CG1-CZ3 3.9Å
119V97.5Very high93.1Very high0 Ų041.6 Ų41.60%023%0.23CC..EExtended strand (participates in β ladder)trans-109.4110.7175-177.10000109.5I3 M13 L29 Y86 Y87 Q88 V135 F136 I137I3-V119 HydrophobicContact CD1-CG2 3.84Å; M13-V119 HydrophobicContact CE-CG1 3.99Å; M13-V119 HydrophobicContact SD-CG1 3.86Å; L29-V119 HydrophobicContact CD1-CB 4.13Å; L29-V119 HydrophobicContact CD1-CG2 3.43Å; L29-V119 VanDerWaalsContact CD1-CG2 3.43Å; Y86-V119 PolarHBondContact O-N 2.98Å; Y87-V119 CarbonylContact C-O 3.59Å; Y87-V119 WeakPolarHBondContact CA-O 3.25Å; Y87-V119 WeakPolarHBondContact CB-O 3Å; Q88-V119 PolarHBondContact N-O 2.96Å; V119-V135 HydrophobicContact CG1-CB 3.88Å; V119-V135 HydrophobicContact CG1-CG1 4.03Å; V119-F136 CarbonylContact C-O 3.42Å; V119-F136 WeakPolarHBondContact CA-O 3.31Å; V119-I137 HydrophobicContact CG2-CG1 4.24Å
120M97.1Very high92.9Very high0 Ų041.2 Ų41.20%023%0.229CC..EExtended strand (participates in β ladder)trans-93127.4176.1-60.5-59.8-54.500109.6Q88 S96 R97 P98 I118 V135 F136Q88-M120 HydrophobicContact CB-CE 4.09Å; Q88-M120 HydrophobicContact CB-SD 4.04Å; Q88-M120 HydrophobicContact CG-CE 4.21Å; Q88-M120 CarbonylContact O-C 3.53Å; Q88-M120 VanDerWaalsContact O-CA 3.31Å; Q88-M120 WeakPolarHBondContact O-CA 3.47Å; S96-M120 VanDerWaalsContact O-CB 3.24Å; S96-M120 WeakPolarHBondContact O-CB 3.47Å; S96-M120 VanDerWaalsContact O-CG 3.27Å; S96-M120 WeakPolarHBondContact O-CG 3.48Å; R97-M120 WeakPolarHBondContact O-CE 3.32Å; P98-M120 HydrophobicContact CB-SD 4.08Å; P98-M120 HydrophobicContact CG-CG 3.8Å; P98-M120 HydrophobicContact CG-SD 3.93Å; I118-M120 HydrophobicContact CG2-CG 4.18Å; I118-M120 HydrophobicContact CG2-SD 3.76Å; M120-V135 CarbonylContact O-C 3.59Å; M120-V135 VanDerWaalsContact O-CA 3.26Å; M120-V135 WeakPolarHBondContact O-CA 3.24Å; M120-F136 HydrophobicContact CB-CB 4.32Å; M120-F136 PolarHBondContact N-O 3.21Å; M120-F136 PolarHBondContact O-N 3.17Å
121V95.8Very high92.7Very high2 Ų247 Ų471%0.01225%0.25CS..EExtended strand (participates in β ladder)trans-94.9128.2175.6-172.90000109.3M13 T17 Q88 A89 S123 I134 V135M13-V121 HydrophobicContact CE-CG2 4.24Å; M13-V121 HydrophobicContact CG-CG2 3.58Å; M13-V121 HydrophobicContact SD-CG2 3.48Å; M13-V121 WeakPolarHBondContact SD-CG2 3.38Å; T17-V121 HydrophobicContact CG2-CG1 4.43Å; Q88-V121 PolarHBondContact O-N 3.24Å; A89-V121 HydrophobicContact CB-CB 3.83Å; A89-V121 HydrophobicContact CB-CG1 4.48Å; V121-S123 PolarHBondContact O-N 3.17Å; V121-I134 HydrophobicContact CG1-CD1 4.02Å; V121-I134 HydrophobicContact CG1-CG1 4.26Å; V121-V135 HydrophobicContact CG2-CG1 4.29Å
122D93.9Very high92.7Very high17 Ų1745.7 Ų45.79%0.09124%0.244CC..  trans-84.488.6171.2-167.1-23.8000110.5S124 R125 I134 F136D122-S124 PolarHBondContact O-N 2.73Å; D122-S124 VanDerWaalsContact O-N 3.09Å; D122-S124 WeakPolarHBondContact OD1-CB 3.32Å; D122-S124 PolarHBondContact OD1-N 3.25Å; D122-S124 VanDerWaalsContact OD1-N 3.1Å; D122-S124 PolarHBondContact OD1-OG 3.19Å; D122-R125 HydrophobicContact CB-CB 4.47Å; D122-R125 HydrophobicContact CB-CG 4.49Å; D122-R125 PolarHBondContact O-N 3.36Å; D122-R125 VanDerWaalsContact O-N 3.08Å; D122-R125 WeakPolarHBondContact OD2-CD 3.24Å; D122-I134 WeakPolarHBondContact CB-O 3.42Å; D122-I134 PolarHBondContact N-O 3.1Å; D122-F136 HydrophobicContact CB-CE2 3.92Å
123S91.3Very high92.9Very high28 Ų2841.2 Ų41.220%0.19622%0.222CC..G310 helixtrans-58.3-23.3179.9-53.70000113.3T17 A89 V121 R125 L126T17-S123 VanDerWaalsContact CG2-OG 3.32Å; T17-S123 WeakPolarHBondContact CG2-OG 3.39Å; A89-S123 WeakPolarHBondContact CB-OG 3.38Å; V121-S123 PolarHBondContact O-N 3.17Å; S123-R125 VanDerWaalsContact C-N 3.27Å; S123-R125 PolarHBondContact O-N 3.23Å; S123-L126 WeakPolarHBondContact O-CB 3.31Å; S123-L126 PolarHBondContact O-N 3.29Å
124S90.8Very high93Very high65 Ų6540.1 Ų40.146%0.45522%0.217SC..G310 helixtrans-71.4-22.4178.673.80000114T93 D122T93-S124 WeakPolarHBondContact O-CB 3.36Å; T93-S124 PolarHBondContact O-OG 2.83Å; D122-S124 PolarHBondContact O-N 2.73Å; D122-S124 VanDerWaalsContact O-N 3.09Å; D122-S124 WeakPolarHBondContact OD1-CB 3.32Å; D122-S124 PolarHBondContact OD1-N 3.25Å; D122-S124 VanDerWaalsContact OD1-N 3.1Å; D122-S124 PolarHBondContact OD1-OG 3.19Å
125R92.3Very high93.3Very high68 Ų6835.7 Ų35.726%0.25719%0.186SC..G310 helixtrans-94.8-0.2179.2-67171.265.6-149.52.5112.5D122 S123 T127 E132 P133 I134D122-R125 HydrophobicContact CB-CB 4.47Å; D122-R125 HydrophobicContact CB-CG 4.49Å; D122-R125 PolarHBondContact O-N 3.36Å; D122-R125 VanDerWaalsContact O-N 3.08Å; D122-R125 WeakPolarHBondContact OD2-CD 3.24Å; S123-R125 VanDerWaalsContact C-N 3.27Å; S123-R125 PolarHBondContact O-N 3.23Å; R125-T127 PolarHBondContact O-N 2.68Å; R125-T127 VanDerWaalsContact O-N 3.11Å; R125-E132 IonicContact CZ-OE1 3.24Å; R125-E132 VanDerWaalsContact CZ-OE1 3.24Å; R125-E132 IonicContact NE-OE1 2.92Å; R125-E132 PolarHBondContact NE-OE1 3.04Å; R125-E132 IonicContact NH2-OE1 2.77Å; R125-E132 PolarHBondContact NH2-OE1 3.22Å; R125-E132 IonicContact NH2-OE2 3.1Å; R125-E132 PolarHBondContact NH2-OE2 3.33Å; R125-E132 VanDerWaalsContact NH2-OE2 3.1Å; R125-P133 PolarHBondContact NH1-O 3.1Å; R125-P133 PolarHBondContact NH2-O 3.46Å; R125-I134 HydrophobicContact CB-CB 4.04Å; R125-I134 HydrophobicContact CB-CG2 3.5Å; R125-I134 VanDerWaalsContact CB-CG2 3.5Å
126L92.6Very high93.5Very high39 Ų3936 Ų3620%0.20419%0.187CC..  trans-63.4114.9178.5-175.265.8000110.4L14 T17 A18 S123 I134 L169L14-L126 HydrophobicContact CB-CD1 4.42Å; L14-L126 HydrophobicContact CD2-CD1 4.03Å; L14-L126 HydrophobicContact CG-CD1 4.01Å; T17-L126 HydrophobicContact CG2-CD2 4.28Å; A18-L126 HydrophobicContact CB-CD2 3.99Å; S123-L126 WeakPolarHBondContact O-CB 3.31Å; S123-L126 PolarHBondContact O-N 3.29Å; L126-I134 HydrophobicContact CB-CD1 4.08Å; L126-I134 HydrophobicContact CD1-CD1 3.84Å; L126-L169 HydrophobicContact CD1-CD1 4.41Å
127T94.3Very high93.6Very high65 Ų6536 Ų3640%0.39919%0.187SC..  trans-130.4152.5175.758.30000109.4R125 S129 C130R125-T127 PolarHBondContact O-N 2.68Å; R125-T127 VanDerWaalsContact O-N 3.11Å; T127-S129 PolarHBondContact O-N 3.37Å; T127-C130 PolarHBondContact O-N 3.35Å; T127-C130 PolarHBondContact O-SG 3.32Å; T127-C130 VanDerWaalsContact O-SG 3.37Å
128M93.1Very high93.6Very high87 Ų8737 Ų3743%0.42919%0.191SC..THydrogen-bonded Turntrans-62.2-26.4179.5-64.3-65.1107.400113S166 L169 V170M128-S166 VanDerWaalsContact O-CA 3.26Å; M128-S166 WeakPolarHBondContact O-CA 3.37Å; M128-S166 WeakPolarHBondContact O-CB 3.32Å; M128-S166 PolarHBondContact O-OG 3.25Å; M128-S166 VanDerWaalsContact O-OG 3.08Å; M128-L169 HydrophobicContact CE-CB 4.27Å; M128-L169 HydrophobicContact CE-CD2 4.28Å; M128-L169 HydrophobicContact SD-CB 3.82Å; M128-V170 HydrophobicContact CB-CG2 4.24Å
129S90.9Very high93.3Very high35 Ų3538.8 Ų38.825%0.24520%0.201CC..THydrogen-bonded Turntrans-86.2-14.6-178.652.40000114.5T127 F131T127-S129 PolarHBondContact O-N 3.37Å; S129-F131 VanDerWaalsContact C-N 3.27Å; S129-F131 PolarHBondContact O-N 3.37Å; S129-F131 WeakPolarHBondContact OG-CD2 3.4Å; S129-F131 WeakPolarHBondContact OG-CE2 3.43Å
130C89.7Confident92.9Very high3 Ų342.2 Ų42.22%0.0222%0.217CC..  trans4742.7-179.9-59.80000114.3T127 E132 W158 Q162 L169T127-C130 PolarHBondContact O-N 3.35Å; T127-C130 PolarHBondContact O-SG 3.32Å; T127-C130 VanDerWaalsContact O-SG 3.37Å; C130-E132 PolarHBondContact O-N 3.43Å; C130-W158 WeakPolarHBondContact O-CZ2 3.28Å; C130-Q162 HydrophobicContact CB-CG 4.41Å; C130-Q162 VanDerWaalsContact O-CG 3.31Å; C130-Q162 WeakPolarHBondContact O-CG 3.47Å; C130-L169 WeakPolarHBondContact SG-CD1 3.38Å
131F88.6Confident92.3Very high153 Ų15346.8 Ų46.867%0.67124%0.238SC*.  trans-57.2-26-171.7-74.2-60.8000115.3S129S129-F131 VanDerWaalsContact C-N 3.27Å; S129-F131 PolarHBondContact O-N 3.37Å; S129-F131 WeakPolarHBondContact OG-CD2 3.4Å; S129-F131 WeakPolarHBondContact OG-CE2 3.43Å
132E91.5Very high91.7Very high96 Ų9653.3 Ų53.345%0.44927%0.268SS..SBendtrans-140.8154.3-176.749.9175.4-158.700110.6R125 C130 I134R125-E132 IonicContact CZ-OE1 3.24Å; R125-E132 VanDerWaalsContact CZ-OE1 3.24Å; R125-E132 IonicContact NE-OE1 2.92Å; R125-E132 PolarHBondContact NE-OE1 3.04Å; R125-E132 IonicContact NH2-OE1 2.77Å; R125-E132 PolarHBondContact NH2-OE1 3.22Å; R125-E132 IonicContact NH2-OE2 3.1Å; R125-E132 PolarHBondContact NH2-OE2 3.33Å; R125-E132 VanDerWaalsContact NH2-OE2 3.1Å; C130-E132 PolarHBondContact O-N 3.43Å; E132-I134 WeakPolarHBondContact O-CG2 3.27Å; E132-I134 PolarHBondContact O-N 2.8Å
133P93.6Very high91.1Very high25 Ų2559.5 Ų59.516%0.16230%0.301CS..  trans-59.3126.9170.1-24.434.8000111R125 V150 F155 W158R125-P133 PolarHBondContact NH1-O 3.1Å; R125-P133 PolarHBondContact NH2-O 3.46Å; P133-V150 HydrophobicContact CB-CG1 3.93Å; P133-F155 HydrophobicContact CB-CE2 3.72Å; P133-F155 HydrophobicContact CB-CZ 3.78Å; P133-F155 HydrophobicContact CG-CE2 3.61Å; P133-F155 HydrophobicContact CG-CZ 4.07Å; P133-W158 HydrophobicContact CB-CH2 4.15Å; P133-W158 HydrophobicContact CB-CZ3 4.09Å; P133-W158 VanDerWaalsContact CD-CZ2 3.4Å; P133-W158 HydrophobicContact CG-CD2 3.94Å; P133-W158 HydrophobicContact CG-CE3 3.83Å; P133-W158 HydrophobicContact CG-CH2 3.73Å; P133-W158 HydrophobicContact CG-CZ2 3.84Å; P133-W158 HydrophobicContact CG-CZ3 3.72Å
134I94Very high90.9Very high5 Ų565.1 Ų65.13%0.02632%0.322CS..  trans-105.123.9179.766.7168.1000112.8L14 V121 D122 R125 L126 E132L14-I134 HydrophobicContact CD1-CD1 4.3Å; L14-I134 HydrophobicContact CD1-CG1 4.26Å; L14-I134 HydrophobicContact CD2-CD1 3.97Å; L14-I134 HydrophobicContact CD2-CG1 4.23Å; L14-I134 HydrophobicContact CG-CD1 4.03Å; L14-I134 HydrophobicContact CG-CG1 4.44Å; V121-I134 HydrophobicContact CG1-CD1 4.02Å; V121-I134 HydrophobicContact CG1-CG1 4.26Å; D122-I134 WeakPolarHBondContact CB-O 3.42Å; D122-I134 PolarHBondContact N-O 3.1Å; R125-I134 HydrophobicContact CB-CB 4.04Å; R125-I134 HydrophobicContact CB-CG2 3.5Å; R125-I134 VanDerWaalsContact CB-CG2 3.5Å; L126-I134 HydrophobicContact CB-CD1 4.08Å; L126-I134 HydrophobicContact CD1-CD1 3.84Å; E132-I134 WeakPolarHBondContact O-CG2 3.27Å; E132-I134 PolarHBondContact O-N 2.8Å
135V95.2Very high91Very high3 Ų364 Ų642%0.01831%0.308CS..EExtended strand (participates in β ladder)trans-116.3151.1-175.5-62.70000111.5L5 Y10 M13 V119 M120 V121 V150 F155L5-V135 HydrophobicContact CD1-CG2 4.38Å; Y10-V135 HydrophobicContact CD2-CG1 4.42Å; Y10-V135 HydrophobicContact CE2-CG1 3.9Å; Y10-V135 HydrophobicContact CE2-CG2 4.48Å; M13-V135 HydrophobicContact CE-CG1 3.58Å; V119-V135 HydrophobicContact CG1-CB 3.88Å; V119-V135 HydrophobicContact CG1-CG1 4.03Å; M120-V135 CarbonylContact O-C 3.59Å; M120-V135 VanDerWaalsContact O-CA 3.26Å; M120-V135 WeakPolarHBondContact O-CA 3.24Å; V121-V135 HydrophobicContact CG2-CG1 4.29Å; V135-V150 HydrophobicContact CG2-CG1 4.06Å; V135-V150 WeakPolarHBondContact O-CG2 3.49Å; V135-F155 HydrophobicContact CG2-CZ 4.17Å
136F94.7Very high91Very high65 Ų6565.2 Ų65.229%0.28532%0.315SS..EExtended strand (participates in β ladder)trans-118.3127.4168.3-55.8-83.1000108.5S96 V119 M120 D122 V147S96-F136 VanDerWaalsContact CB-CE2 3.42Å; V119-F136 CarbonylContact C-O 3.42Å; V119-F136 WeakPolarHBondContact CA-O 3.31Å; M120-F136 HydrophobicContact CB-CB 4.32Å; M120-F136 PolarHBondContact N-O 3.21Å; M120-F136 PolarHBondContact O-N 3.17Å; D122-F136 HydrophobicContact CB-CE2 3.92Å; F136-V147 HydrophobicContact CB-CG2 4.24Å; F136-V147 HydrophobicContact CD1-CG2 4.47Å
137I95.5Very high90.9Very high0 Ų067.7 Ų67.70%033%0.332CS..EExtended strand (participates in β ladder)trans-101.4126.6179-58.1177.2000108I3 A117 I118 V119 R148 V150 A154I3-I137 HydrophobicContact CD1-CG2 4.19Å; I3-I137 HydrophobicContact CG1-CD1 4.5Å; I3-I137 HydrophobicContact CG1-CG2 4.01Å; A117-I137 HydrophobicContact CB-CG2 4.32Å; I118-I137 CarbonylContact O-C 3.49Å; V119-I137 HydrophobicContact CG2-CG1 4.24Å; I137-R148 WeakPolarHBondContact O-CB 3.45Å; I137-R148 PolarHBondContact O-N 3Å; I137-V150 HydrophobicContact CB-CG2 4.26Å; I137-V150 HydrophobicContact CD1-CG2 4.22Å; I137-V150 HydrophobicContact CG1-CG2 3.88Å; I137-A154 HydrophobicContact CD1-CB 3.93Å
138H95.3Very high90.6Very high20 Ų2067 Ų679%0.09332%0.322CS..EExtended strand (participates in β ladder)trans-109.5123.2173-61.8-107.7000110.2A117 I118 W145 K146A117-H138 WeakPolarHBondContact CA-O 3.47Å; I118-H138 HydrophobicContact CB-CB 4.19Å; I118-H138 PolarHBondContact N-O 2.71Å; I118-H138 PolarHBondContact O-N 3.39Å; H138-W145 HydrophobicContact CB-CB 4.23Å; H138-W145 HydrophobicContact CB-CE3 4.38Å; H138-K146 CarbonylContact C-O 3.55Å; H138-K146 VanDerWaalsContact CA-O 3.25Å; H138-K146 WeakPolarHBondContact CA-O 3.3Å
139D92Very high90.1Very high39 Ų3970.7 Ų70.721%0.20934%0.338CS..EExtended strand (participates in β ladder)trans-95.3150.3174.7-59.3-51.1000111.1H141 W145 K146 R148D139-H141 PolarHBondContact O-N 2.84Å; D139-W145 WeakPolarHBondContact O-CA 3.5Å; D139-K146 PolarHBondContact N-O 3.44Å; D139-K146 PolarHBondContact O-N 2.87Å; D139-R148 IonicContact OD1-CZ 3.99Å; D139-R148 IonicContact OD1-NE 3.39Å; D139-R148 IonicContact OD1-NH2 2.79Å; D139-R148 PolarHBondContact OD1-NH2 3.48Å; D139-R148 IonicContact OD2-CZ 3.54Å; D139-R148 IonicContact OD2-NE 3.85Å; D139-R148 PolarHBondContact OD2-NE 2.85Å; D139-R148 IonicContact OD2-NH2 2.88Å; D139-R148 PolarHBondContact OD2-NH2 2.71Å
140H89.4Confident89.9Confident72 Ų7270.5 Ų70.533%0.33334%0.335SS..EExtended strand (participates in β ladder)trans-82.2112.5171.1-164.9-114000110.8W145H140-W145 HydrophobicContact CB-CE3 4.09Å; H140-W145 HydrophobicContact CB-CH2 3.82Å; H140-W145 HydrophobicContact CB-CZ2 4.35Å; H140-W145 HydrophobicContact CB-CZ3 3.69Å; H140-W145 AromaticContact CD2-CE2 3.85Å; H140-W145 AromaticContact CD2-CZ2 3.89Å
141H84.8Confident89.7Confident95 Ų9573.1 Ų73.144%0.4435%0.351SS..EExtended strand (participates in β ladder)trans-139.7125.8177.7-171.7-80.9000110.5D139 N143 K144 K146D139-H141 PolarHBondContact O-N 2.84Å; H141-N143 PolarHBondContact O-N 3.29Å; H141-K144 PolarHBondContact N-O 2.88Å; H141-K144 PolarHBondContact O-N 2.8Å; H141-K144 VanDerWaalsContact O-N 3.1Å; H141-K146 HydrophobicContact CB-CD 4.23Å; H141-K146 PolarHBondContact ND1-NZ 2.79Å
142E82.4Confident89.6Confident139 Ų13970.2 Ų70.265%0.6535%0.346SS*.THydrogen-bonded Turntrans51.649.1179.3-63.7161.115500113.5K144 K146E142-K144 PolarHBondContact O-N 3.09Å; E142-K146 IonicContact OE2-NZ 2.66Å; E142-K146 PolarHBondContact OE2-NZ 3.32Å
143N80.7Confident89.5Confident148 Ų14870.1 Ų70.179%0.79135%0.349SS*.THydrogen-bonded Turntrans60.920.8-178.8-59.1-25.5000114.7H141H141-N143 PolarHBondContact O-N 3.29Å
144K88.3Confident89.5Confident145 Ų14569 Ų6963%0.6334%0.342SS*.EExtended strand (participates in β ladder)trans-135.3146.2177.2-66.1-177.1-178.8177.70110.9H141 E142 K146H141-K144 PolarHBondContact N-O 2.88Å; H141-K144 PolarHBondContact O-N 2.8Å; H141-K144 VanDerWaalsContact O-N 3.1Å; E142-K144 PolarHBondContact O-N 3.09Å; K144-K146 PolarHBondContact O-N 3Å
145W92.1Very high89.5Confident43 Ų4369 Ų6916%0.16334%0.342CS..EExtended strand (participates in β ladder)trans-83.9106.5171.5-63.9102.1000109.3A106 A116 I118 H138 D139 H140A106-W145 HydrophobicContact CB-CH2 3.44Å; A106-W145 VanDerWaalsContact CB-CH2 3.44Å; A106-W145 HydrophobicContact CB-CZ2 3.37Å; A106-W145 HydrophobicContact CB-CZ3 4.26Å; A116-W145 HydrophobicContact CB-CH2 4.48Å; A116-W145 VanDerWaalsContact O-CZ3 3.29Å; A116-W145 WeakPolarHBondContact O-CZ3 3.4Å; I118-W145 HydrophobicContact CD1-CD2 3.51Å; I118-W145 HydrophobicContact CD1-CE3 3.77Å; I118-W145 HydrophobicContact CD1-CG 3.89Å; I118-W145 HydrophobicContact CD1-CH2 4.41Å; I118-W145 HydrophobicContact CD1-CZ2 4.19Å; I118-W145 HydrophobicContact CD1-CZ3 4.2Å; I118-W145 HydrophobicContact CG1-CD2 4.14Å; I118-W145 HydrophobicContact CG1-CE3 3.87Å; I118-W145 HydrophobicContact CG1-CH2 4.23Å; I118-W145 HydrophobicContact CG1-CZ2 4.47Å; I118-W145 HydrophobicContact CG1-CZ3 3.9Å; H138-W145 HydrophobicContact CB-CB 4.23Å; H138-W145 HydrophobicContact CB-CE3 4.38Å; D139-W145 WeakPolarHBondContact O-CA 3.5Å; H140-W145 HydrophobicContact CB-CE3 4.09Å; H140-W145 HydrophobicContact CB-CH2 3.82Å; H140-W145 HydrophobicContact CB-CZ2 4.35Å; H140-W145 HydrophobicContact CB-CZ3 3.69Å; H140-W145 AromaticContact CD2-CE2 3.85Å; H140-W145 AromaticContact CD2-CZ2 3.89Å
146K91.6Very high89.6Confident92 Ų9274.4 Ų74.440%0.437%0.366SS..EExtended strand (participates in β ladder)trans-102.4132.9179.8-65.6-175.3-171.9173.90109.5H138 D139 H141 E142 K144H138-K146 CarbonylContact C-O 3.55Å; H138-K146 VanDerWaalsContact CA-O 3.25Å; H138-K146 WeakPolarHBondContact CA-O 3.3Å; D139-K146 PolarHBondContact N-O 3.44Å; D139-K146 PolarHBondContact O-N 2.87Å; H141-K146 HydrophobicContact CB-CD 4.23Å; H141-K146 PolarHBondContact ND1-NZ 2.79Å; E142-K146 IonicContact OE2-NZ 2.66Å; E142-K146 PolarHBondContact OE2-NZ 3.32Å; K144-K146 PolarHBondContact O-N 3Å
147V91.8Very high89.6Confident91 Ų9174.9 Ų74.955%0.55237%0.372SS*.EExtended strand (participates in β ladder)trans-69.3136.5176.169.50000109.8F136F136-V147 HydrophobicContact CB-CG2 4.24Å; F136-V147 HydrophobicContact CD1-CG2 4.47Å
148R88.1Confident89.6Confident51 Ų5176.2 Ų76.219%0.19238%0.377CS..EExtended strand (participates in β ladder)trans-101141.1169.5-172.5-164.1-64.6164.5-1.7109I3 I137 D139 V150I3-R148 PolarHBondContact O-NH1 2.9Å; I137-R148 WeakPolarHBondContact O-CB 3.45Å; I137-R148 PolarHBondContact O-N 3Å; D139-R148 IonicContact OD1-CZ 3.99Å; D139-R148 IonicContact OD1-NE 3.39Å; D139-R148 IonicContact OD1-NH2 2.79Å; D139-R148 PolarHBondContact OD1-NH2 3.48Å; D139-R148 IonicContact OD2-CZ 3.54Å; D139-R148 IonicContact OD2-NE 3.85Å; D139-R148 PolarHBondContact OD2-NE 2.85Å; D139-R148 IonicContact OD2-NH2 2.88Å; D139-R148 PolarHBondContact OD2-NH2 2.71Å; R148-V150 PolarHBondContact O-N 3.5Å
149E82.6Confident89.7Confident164 Ų16479.2 Ų79.277%0.76640%0.4SS*.PPolyproline II helixtrans-61.1124.9165.4-172.8173.3-170.600109.7T151E149-T151 HydrophobicContact CG-CG2 4.09Å
150V86.4Confident89.9Confident32 Ų3280.1 Ų80.119%0.19440%0.403CS..  trans-94.1108.1178.9176.10000107.7P133 V135 I137 R148 A154 F155P133-V150 HydrophobicContact CB-CG1 3.93Å; V135-V150 HydrophobicContact CG2-CG1 4.06Å; V135-V150 WeakPolarHBondContact O-CG2 3.49Å; I137-V150 HydrophobicContact CB-CG2 4.26Å; I137-V150 HydrophobicContact CD1-CG2 4.22Å; I137-V150 HydrophobicContact CG1-CG2 3.88Å; R148-V150 PolarHBondContact O-N 3.5Å; V150-A154 HydrophobicContact CG1-CB 3.81Å; V150-F155 HydrophobicContact CG1-CE2 4.02Å
151T85.9Confident90.3Very high58 Ų5876.7 Ų76.736%0.35639%0.387SS..  trans-108.7-173.5168.586.20000109.8E149 D153 A154E149-T151 HydrophobicContact CG-CG2 4.09Å; T151-D153 WeakPolarHBondContact CB-OD1 3.42Å; T151-D153 PolarHBondContact N-OD1 2.94Å; T151-D153 PolarHBondContact O-N 2.81Å; T151-D153 VanDerWaalsContact O-N 3.15Å; T151-D153 PolarHBondContact OG1-N 2.76Å; T151-D153 PolarHBondContact OG1-OD1 2.73Å; T151-A154 WeakPolarHBondContact O-CB 3.38Å; T151-A154 PolarHBondContact O-N 3.07Å; T151-A154 VanDerWaalsContact O-N 3.09Å
152T86.3Confident90.9Very high91 Ų9174.4 Ų74.456%0.55838%0.377SS*.G310 helixtrans-61.4-20.6177.9520000112.8A154 F155 W158T152-A154 PolarHBondContact O-N 3.17Å; T152-F155 PolarHBondContact O-N 2.92Å; T152-W158 HydrophobicContact CG2-CB 3.99Å; T152-W158 HydrophobicContact CG2-CG 3.94Å
153D88.1Confident91.6Very high95 Ų9574.5 Ų74.551%0.50838%0.375SS..G310 helixtrans-65.9-16.3174.172.9-27000114.4Q4 T151 F155Q4-D153 WeakPolarHBondContact CG-O 3.26Å; Q4-D153 PolarHBondContact NE2-O 2.78Å; T151-D153 WeakPolarHBondContact CB-OD1 3.42Å; T151-D153 PolarHBondContact N-OD1 2.94Å; T151-D153 PolarHBondContact O-N 2.81Å; T151-D153 VanDerWaalsContact O-N 3.15Å; T151-D153 PolarHBondContact OG1-N 2.76Å; T151-D153 PolarHBondContact OG1-OD1 2.73Å; D153-F155 PolarHBondContact O-N 3.03Å
154A93.3Very high92.5Very high2 Ų267.5 Ų67.52%0.01734%0.338CS..G310 helixtrans-75.5-3.1173.700000113Q4 L5 I137 V150 T151 T152Q4-A154 CarbonylContact C-O 3.46Å; Q4-A154 VanDerWaalsContact CA-O 3.32Å; Q4-A154 WeakPolarHBondContact CA-O 3.36Å; L5-A154 PolarHBondContact N-O 3.05Å; I137-A154 HydrophobicContact CD1-CB 3.93Å; V150-A154 HydrophobicContact CG1-CB 3.81Å; T151-A154 WeakPolarHBondContact O-CB 3.38Å; T151-A154 PolarHBondContact O-N 3.07Å; T151-A154 VanDerWaalsContact O-N 3.09Å; T152-A154 PolarHBondContact O-N 3.17Å
155F95.8Very high92.9Very high4 Ų460.6 Ų60.62%0.01831%0.308CS..BIsolated β-bridgetrans-122151.9-178.6-59-90.5000110.3L5 Y10 P133 V135 V150 T152 D153 W158 A161L5-F155 HydrophobicContact CB-CD1 4.03Å; L5-F155 HydrophobicContact CB-CE1 4.22Å; L5-F155 HydrophobicContact CD1-CE1 4.1Å; L5-F155 VanDerWaalsContact O-CA 3.31Å; L5-F155 WeakPolarHBondContact O-CA 3.43Å; Y10-F155 HydrophobicContact CD1-CE1 4.4Å; Y10-F155 AromaticContact CD2-CE1 3.57Å; Y10-F155 HydrophobicContact CD2-CE1 3.57Å; Y10-F155 HydrophobicContact CD2-CZ 4.21Å; Y10-F155 AromaticContact CE2-CE1 3.87Å; Y10-F155 HydrophobicContact CE2-CE1 3.87Å; Y10-F155 HydrophobicContact CE2-CZ 4.08Å; Y10-F155 AromaticContact CG-CE1 3.84Å; Y10-F155 HydrophobicContact CG-CE1 3.84Å; P133-F155 HydrophobicContact CB-CE2 3.72Å; P133-F155 HydrophobicContact CB-CZ 3.78Å; P133-F155 HydrophobicContact CG-CE2 3.61Å; P133-F155 HydrophobicContact CG-CZ 4.07Å; V135-F155 HydrophobicContact CG2-CZ 4.17Å; V150-F155 HydrophobicContact CG1-CE2 4.02Å; T152-F155 PolarHBondContact O-N 2.92Å; D153-F155 PolarHBondContact O-N 3.03Å; F155-W158 HydrophobicContact CB-CB 4.13Å; F155-W158 AromaticContact CD1-CE3 3.84Å; F155-W158 HydrophobicContact CD1-CE3 3.84Å; F155-W158 HydrophobicContact CD1-CZ3 4.32Å; F155-W158 HydrophobicContact CD2-CB 4.27Å; F155-W158 HydrophobicContact CD2-CD2 4.35Å; F155-W158 AromaticContact CD2-CE3 3.69Å; F155-W158 HydrophobicContact CD2-CE3 3.69Å; F155-W158 AromaticContact CE1-CE3 3.75Å; F155-W158 HydrophobicContact CE1-CE3 3.75Å; F155-W158 AromaticContact CE1-CZ3 3.8Å; F155-W158 HydrophobicContact CE1-CZ3 3.8Å; F155-W158 HydrophobicContact CE2-CD2 4.45Å; F155-W158 AromaticContact CE2-CE3 3.62Å; F155-W158 HydrophobicContact CE2-CE3 3.62Å; F155-W158 HydrophobicContact CE2-CZ3 4.02Å; F155-W158 HydrophobicContact CG-CB 4.29Å; F155-W158 AromaticContact CG-CE3 3.81Å; F155-W158 HydrophobicContact CG-CE3 3.81Å; F155-W158 AromaticContact CZ-CE3 3.65Å; F155-W158 HydrophobicContact CZ-CE3 3.65Å; F155-W158 AromaticContact CZ-CZ3 3.64Å; F155-W158 HydrophobicContact CZ-CZ3 3.64Å; F155-A161 HydrophobicContact CD1-CB 4.45Å
156E95.4Very high93.2Very high116 Ų11660 Ų6054%0.54231%0.311SS..SBendtrans-64.3-51.3169.2-175.6174.7-134.200110.6L5 L47L5-E156 PolarHBondContact O-N 3.32Å; L47-E156 HydrophobicContact CD1-CB 3.93Å; L47-E156 HydrophobicContact CD1-CG 4.38Å; L47-E156 WeakPolarHBondContact CD2-OE1 3.45Å
157D96.1Very high93.5Very high75 Ų7557.9 Ų57.940%0.40131%0.31SS..  trans-143106.2168.7-173-31.3000109.1S159 E160 A161D157-S159 WeakPolarHBondContact OD1-CA 3.41Å; D157-S159 WeakPolarHBondContact OD1-CB 3.47Å; D157-S159 PolarHBondContact OD1-N 3.19Å; D157-E160 HydrophobicContact CB-CB 3.9Å; D157-E160 PolarHBondContact OD1-N 3.38Å; D157-A161 VanDerWaalsContact O-CB 3.32Å; D157-A161 WeakPolarHBondContact O-CB 3.25Å; D157-A161 PolarHBondContact O-N 3.32Å
158W96.1Very high93.8Very high29 Ų2953.8 Ų53.811%0.1129%0.285CS..Hα-helixtrans-64.9-37.7179170.5-109.8000112.8Y10 C130 P133 T152 F155 E160 A161 Q162Y10-W158 HydrophobicContact CD1-CZ3 4.44Å; Y10-W158 HydrophobicContact CE1-CH2 4.16Å; Y10-W158 AromaticContact CE1-CZ3 3.76Å; Y10-W158 HydrophobicContact CE1-CZ3 3.76Å; Y10-W158 HydrophobicContact CE2-CZ3 4.46Å; Y10-W158 AromaticContact CZ-CZ3 3.77Å; C130-W158 WeakPolarHBondContact O-CZ2 3.28Å; P133-W158 HydrophobicContact CB-CH2 4.15Å; P133-W158 HydrophobicContact CB-CZ3 4.09Å; P133-W158 VanDerWaalsContact CD-CZ2 3.4Å; P133-W158 HydrophobicContact CG-CD2 3.94Å; P133-W158 HydrophobicContact CG-CE3 3.83Å; P133-W158 HydrophobicContact CG-CH2 3.73Å; P133-W158 HydrophobicContact CG-CZ2 3.84Å; P133-W158 HydrophobicContact CG-CZ3 3.72Å; T152-W158 HydrophobicContact CG2-CB 3.99Å; T152-W158 HydrophobicContact CG2-CG 3.94Å; F155-W158 HydrophobicContact CB-CB 4.13Å; F155-W158 AromaticContact CD1-CE3 3.84Å; F155-W158 HydrophobicContact CD1-CE3 3.84Å; F155-W158 HydrophobicContact CD1-CZ3 4.32Å; F155-W158 HydrophobicContact CD2-CB 4.27Å; F155-W158 HydrophobicContact CD2-CD2 4.35Å; F155-W158 AromaticContact CD2-CE3 3.69Å; F155-W158 HydrophobicContact CD2-CE3 3.69Å; F155-W158 AromaticContact CE1-CE3 3.75Å; F155-W158 HydrophobicContact CE1-CE3 3.75Å; F155-W158 AromaticContact CE1-CZ3 3.8Å; F155-W158 HydrophobicContact CE1-CZ3 3.8Å; F155-W158 HydrophobicContact CE2-CD2 4.45Å; F155-W158 AromaticContact CE2-CE3 3.62Å; F155-W158 HydrophobicContact CE2-CE3 3.62Å; F155-W158 HydrophobicContact CE2-CZ3 4.02Å; F155-W158 HydrophobicContact CG-CB 4.29Å; F155-W158 AromaticContact CG-CE3 3.81Å; F155-W158 HydrophobicContact CG-CE3 3.81Å; F155-W158 AromaticContact CZ-CE3 3.65Å; F155-W158 HydrophobicContact CZ-CE3 3.65Å; F155-W158 AromaticContact CZ-CZ3 3.64Å; F155-W158 HydrophobicContact CZ-CZ3 3.64Å; W158-E160 VanDerWaalsContact C-N 3.35Å; W158-A161 PolarHBondContact O-N 3.06Å; W158-Q162 HydrophobicContact CH2-CB 4.43Å; W158-Q162 HydrophobicContact CZ2-CB 4.05Å; W158-Q162 HydrophobicContact CZ2-CG 4.46Å; W158-Q162 VanDerWaalsContact O-CB 3.25Å; W158-Q162 WeakPolarHBondContact O-CB 3.21Å; W158-Q162 PolarHBondContact O-N 3.46Å
159S96.3Very high94.3Very high83 Ų8351.4 Ų51.458%0.5828%0.276SS*.Hα-helixtrans-66.6-41.9-177.3177.40000110.5D157 K163D157-S159 WeakPolarHBondContact OD1-CA 3.41Å; D157-S159 WeakPolarHBondContact OD1-CB 3.47Å; D157-S159 PolarHBondContact OD1-N 3.19Å; S159-K163 WeakPolarHBondContact O-CB 3.29Å; S159-K163 PolarHBondContact O-N 3.34Å; S159-K163 VanDerWaalsContact O-N 3.13Å
160E97.1Very high95Very high57 Ų5748.4 Ų48.427%0.26627%0.268SS..Hα-helixtrans-64.6-52.2173.1-168-168.996.300111.4S7 D157 W158 Q162 K163 I164 C204S7-E160 PolarHBondContact OG-OE1 2.85Å; D157-E160 HydrophobicContact CB-CB 3.9Å; D157-E160 PolarHBondContact OD1-N 3.38Å; W158-E160 VanDerWaalsContact C-N 3.35Å; E160-Q162 VanDerWaalsContact C-N 3.27Å; E160-Q162 PolarHBondContact O-N 2.91Å; E160-K163 PolarHBondContact O-N 3.45Å; E160-K163 VanDerWaalsContact O-N 3.08Å; E160-I164 HydrophobicContact CG-CD1 3.64Å; E160-I164 HydrophobicContact CG-CG1 4.22Å; E160-I164 WeakPolarHBondContact O-CG1 3.3Å; E160-I164 PolarHBondContact O-N 3.32Å; E160-C204 PolarHBondContact OE1-SG 2.77Å; E160-C204 VanDerWaalsContact OE1-SG 3.34Å
161A97.4Very high95.5Very high0 Ų049.5 Ų49.50%029%0.286CS..Hα-helixtrans-56.1-42.2-179.600000112S7 Y10 F155 D157 W158 T165S7-A161 WeakPolarHBondContact OG-CA 3.47Å; S7-A161 PolarHBondContact OG-N 2.62Å; Y10-A161 HydrophobicContact CD1-CB 4.3Å; F155-A161 HydrophobicContact CD1-CB 4.45Å; D157-A161 VanDerWaalsContact O-CB 3.32Å; D157-A161 WeakPolarHBondContact O-CB 3.25Å; D157-A161 PolarHBondContact O-N 3.32Å; W158-A161 PolarHBondContact O-N 3.06Å; A161-T165 WeakPolarHBondContact O-CB 3.32Å; A161-T165 PolarHBondContact O-N 3.47Å; A161-T165 PolarHBondContact O-OG1 3.15Å
162Q97.1Very high96.1Very high47 Ų4753.2 Ų53.222%0.2229%0.294CS..Hα-helixtrans-60.3-52.5174.3172.3179.28.900111.7C130 W158 E160 T165 S166C130-Q162 HydrophobicContact CB-CG 4.41Å; C130-Q162 VanDerWaalsContact O-CG 3.31Å; C130-Q162 WeakPolarHBondContact O-CG 3.47Å; W158-Q162 HydrophobicContact CH2-CB 4.43Å; W158-Q162 HydrophobicContact CZ2-CB 4.05Å; W158-Q162 HydrophobicContact CZ2-CG 4.46Å; W158-Q162 VanDerWaalsContact O-CB 3.25Å; W158-Q162 WeakPolarHBondContact O-CB 3.21Å; W158-Q162 PolarHBondContact O-N 3.46Å; E160-Q162 VanDerWaalsContact C-N 3.27Å; E160-Q162 PolarHBondContact O-N 2.91Å; Q162-T165 PolarHBondContact O-N 3.36Å; Q162-S166 VanDerWaalsContact O-CB 3.25Å; Q162-S166 WeakPolarHBondContact O-CB 3.43Å; Q162-S166 PolarHBondContact O-N 3.37Å
163K97.8Very high96.7Very high141 Ų14150 Ų5061%0.61328%0.275SS*.Hα-helixtrans-61.3-47.4-176.3-179.1-170.5169.5-155.30111.3S159 E160 A167S159-K163 WeakPolarHBondContact O-CB 3.29Å; S159-K163 PolarHBondContact O-N 3.34Å; S159-K163 VanDerWaalsContact O-N 3.13Å; E160-K163 PolarHBondContact O-N 3.45Å; E160-K163 VanDerWaalsContact O-N 3.08Å; K163-A167 WeakPolarHBondContact O-CB 3.43Å; K163-A167 PolarHBondContact O-N 3.27Å
164I98.1Very high97.1Very high1 Ų147.7 Ų47.71%0.00526%0.259CS..Hα-helixtrans-64.7-48.7-180-65.9-179.7000110.3E160 S166 A167 L168 V200 L203 C204E160-I164 HydrophobicContact CG-CD1 3.64Å; E160-I164 HydrophobicContact CG-CG1 4.22Å; E160-I164 WeakPolarHBondContact O-CG1 3.3Å; E160-I164 PolarHBondContact O-N 3.32Å; I164-S166 VanDerWaalsContact C-N 3.32Å; I164-S166 PolarHBondContact O-N 3.14Å; I164-A167 PolarHBondContact O-N 2.99Å; I164-L168 HydrophobicContact CG2-CD1 3.84Å; I164-L168 HydrophobicContact CG2-CG 4.32Å; I164-L168 WeakPolarHBondContact O-CG 3.33Å; I164-L168 PolarHBondContact O-N 3.3Å; I164-V200 HydrophobicContact CD1-CG1 4.3Å; I164-V200 HydrophobicContact CG2-CB 4.43Å; I164-V200 HydrophobicContact CG2-CG1 4.22Å; I164-V200 HydrophobicContact CG2-CG2 4.18Å; I164-L203 HydrophobicContact CD1-CB 4.37Å; I164-L203 HydrophobicContact CG1-CB 3.92Å; I164-L203 HydrophobicContact CG2-CB 4.39Å; I164-L203 HydrophobicContact CG2-CD1 4.28Å; I164-C204 HydrophobicContact CD1-CB 4.37Å; I164-C204 WeakPolarHBondContact CD1-SG 2.95Å
165T97.9Very high97.3Very high0 Ų052.1 Ų52.10%028%0.28CS..Hα-helixtrans-61.8-43-178.2-54.60000111.4Y10 C11 L14 A161 Q162 L168 L169Y10-T165 WeakPolarHBondContact CD1-OG1 3.3Å; Y10-T165 HydrophobicContact CE1-CG2 4.42Å; C11-T165 HydrophobicContact CB-CG2 4.18Å; C11-T165 VanDerWaalsContact CB-OG1 3.29Å; C11-T165 WeakPolarHBondContact CB-OG1 3.45Å; L14-T165 HydrophobicContact CB-CG2 3.92Å; L14-T165 HydrophobicContact CD2-CG2 3.74Å; L14-T165 HydrophobicContact CG-CG2 4.46Å; A161-T165 WeakPolarHBondContact O-CB 3.32Å; A161-T165 PolarHBondContact O-N 3.47Å; A161-T165 PolarHBondContact O-OG1 3.15Å; Q162-T165 PolarHBondContact O-N 3.36Å; T165-L168 PolarHBondContact O-N 3.29Å; T165-L169 HydrophobicContact CG2-CD1 3.91Å; T165-L169 HydrophobicContact CG2-CG 4.3Å; T165-L169 WeakPolarHBondContact O-CB 3.39Å; T165-L169 VanDerWaalsContact O-CG 3.29Å; T165-L169 WeakPolarHBondContact O-CG 3.26Å; T165-L169 PolarHBondContact O-N 2.9Å
166S98.2Very high97.4Very high32 Ų3257.7 Ų57.722%0.22431%0.31CS..Hα-helixtrans-58.5-48.1175173.40000111.9M128 Q162 I164 L168 L169 V170M128-S166 VanDerWaalsContact O-CA 3.26Å; M128-S166 WeakPolarHBondContact O-CA 3.37Å; M128-S166 WeakPolarHBondContact O-CB 3.32Å; M128-S166 PolarHBondContact O-OG 3.25Å; M128-S166 VanDerWaalsContact O-OG 3.08Å; Q162-S166 VanDerWaalsContact O-CB 3.25Å; Q162-S166 WeakPolarHBondContact O-CB 3.43Å; Q162-S166 PolarHBondContact O-N 3.37Å; I164-S166 VanDerWaalsContact C-N 3.32Å; I164-S166 PolarHBondContact O-N 3.14Å; S166-L168 PolarHBondContact O-N 3.35Å; S166-L169 PolarHBondContact O-N 3.3Å; S166-V170 WeakPolarHBondContact O-CB 3.47Å; S166-V170 VanDerWaalsContact O-CG2 3.31Å; S166-V170 WeakPolarHBondContact O-CG2 3.23Å; S166-V170 PolarHBondContact O-N 3.36Å
167A98.2Very high97.5Very high46 Ų4652.2 Ų52.238%0.3828%0.284SS..Hα-helixtrans-60-44.5177.800000112.4K163 I164 G171 L203K163-A167 WeakPolarHBondContact O-CB 3.43Å; K163-A167 PolarHBondContact O-N 3.27Å; I164-A167 PolarHBondContact O-N 2.99Å; A167-G171 PolarHBondContact O-N 2.8Å; A167-L203 HydrophobicContact CB-CD1 4.03Å
168L98.2Very high97.6Very high6 Ų650.1 Ų50.13%0.03127%0.272CS..Hα-helixtrans-68.4-37179.9-67.2176.3000112.7C11 L15 I164 T165 S166 G171 R172 S173 V200 L203C11-L168 HydrophobicContact CB-CD1 4.17Å; L15-L168 HydrophobicContact CD1-CB 4.33Å; L15-L168 HydrophobicContact CD1-CD1 4.24Å; L15-L168 HydrophobicContact CD2-CB 4.13Å; I164-L168 HydrophobicContact CG2-CD1 3.84Å; I164-L168 HydrophobicContact CG2-CG 4.32Å; I164-L168 WeakPolarHBondContact O-CG 3.33Å; I164-L168 PolarHBondContact O-N 3.3Å; T165-L168 PolarHBondContact O-N 3.29Å; S166-L168 PolarHBondContact O-N 3.35Å; L168-G171 CarbonylContact O-C 3.54Å; L168-R172 PolarHBondContact O-N 2.72Å; L168-S173 WeakPolarHBondContact CD2-OG 3.37Å; L168-S173 WeakPolarHBondContact O-CB 3.48Å; L168-S173 PolarHBondContact O-N 3Å; L168-S173 PolarHBondContact O-OG 3.39Å; L168-S173 VanDerWaalsContact O-OG 3.11Å; L168-V200 HydrophobicContact CD1-CG2 3.76Å; L168-L203 HydrophobicContact CD2-CD1 3.84Å; L168-L203 HydrophobicContact CG-CD1 4.03Å
169L97.9Very high97.7Very high1 Ų148.7 Ų48.71%0.00527%0.267CS..Hα-helixtrans-66.8-47.7175.1-75.8171000111.6L15 A18 L126 M128 C130 T165 S166 G171 R172 Y174L15-L169 HydrophobicContact CD2-CD2 3.94Å; L15-L169 HydrophobicContact CD2-CG 4.3Å; A18-L169 HydrophobicContact CB-CD2 3.64Å; L126-L169 HydrophobicContact CD1-CD1 4.41Å; M128-L169 HydrophobicContact CE-CB 4.27Å; M128-L169 HydrophobicContact CE-CD2 4.28Å; M128-L169 HydrophobicContact SD-CB 3.82Å; C130-L169 WeakPolarHBondContact SG-CD1 3.38Å; T165-L169 HydrophobicContact CG2-CD1 3.91Å; T165-L169 HydrophobicContact CG2-CG 4.3Å; T165-L169 WeakPolarHBondContact O-CB 3.39Å; T165-L169 VanDerWaalsContact O-CG 3.29Å; T165-L169 WeakPolarHBondContact O-CG 3.26Å; T165-L169 PolarHBondContact O-N 2.9Å; S166-L169 PolarHBondContact O-N 3.3Å; L169-G171 VanDerWaalsContact C-N 3.27Å; L169-G171 PolarHBondContact O-N 2.89Å; L169-R172 PolarHBondContact O-N 3.5Å; L169-Y174 HydrophobicContact CD2-CD1 4.12Å
170V97.8Very high97.8Very high100 Ų10044.8 Ų44.861%0.60624%0.24SC*.Hα-helixtrans-60.5-40175.8171.50000110.9M128 S166 R172M128-V170 HydrophobicContact CB-CG2 4.24Å; S166-V170 WeakPolarHBondContact O-CB 3.47Å; S166-V170 VanDerWaalsContact O-CG2 3.31Å; S166-V170 WeakPolarHBondContact O-CG2 3.23Å; S166-V170 PolarHBondContact O-N 3.36Å; V170-R172 PolarHBondContact O-N 3.18Å
171G97.4Very high97.8Very high55 Ų5543.9 Ų43.957%0.56724%0.237SC*.THydrogen-bonded Turntrans-72.70.4174.500000115A167 L168 L169 S173A167-G171 PolarHBondContact O-N 2.8Å; L168-G171 CarbonylContact O-C 3.54Å; L169-G171 VanDerWaalsContact C-N 3.27Å; L169-G171 PolarHBondContact O-N 2.89Å; G171-S173 PolarHBondContact O-N 3.35Å
172R97.8Very high97.8Very high137 Ų13745 Ų4552%0.51724%0.243SC..THydrogen-bonded Turntrans55.932.8-178.6-55.3174.867.8164.21.9113.8L168 L169 V170 Y174 E175L168-R172 PolarHBondContact O-N 2.72Å; L169-R172 PolarHBondContact O-N 3.5Å; V170-R172 PolarHBondContact O-N 3.18Å; R172-Y174 HydrophobicContact CB-CE1 4.11Å; R172-Y174 HydrophobicContact CG-CE1 4.24Å; R172-Y174 PolarHBondContact O-N 2.86Å; R172-E175 HydrophobicContact CB-CG 4.36Å; R172-E175 IonicContact CZ-OE1 2.6Å; R172-E175 IonicContact NE-OE1 2.62Å; R172-E175 PolarHBondContact NE-OE1 2.91Å; R172-E175 IonicContact NH2-OE1 2.81Å; R172-E175 PolarHBondContact NH2-OE1 3.4Å; R172-E175 PolarHBondContact O-N 3.12Å; R172-E175 VanDerWaalsContact O-N 3.08Å
173S98.1Very high97.7Very high23 Ų2344.2 Ų44.216%0.16124%0.239CC..G310 helixtrans-61.3-20.6-179.3-54.60000112.7L168 G171 E175 N176 L177L168-S173 WeakPolarHBondContact CD2-OG 3.37Å; L168-S173 WeakPolarHBondContact O-CB 3.48Å; L168-S173 PolarHBondContact O-N 3Å; L168-S173 PolarHBondContact O-OG 3.39Å; L168-S173 VanDerWaalsContact O-OG 3.11Å; G171-S173 PolarHBondContact O-N 3.35Å; S173-E175 PolarHBondContact O-N 3.21Å; S173-N176 PolarHBondContact O-N 3.16Å; S173-N176 VanDerWaalsContact O-N 3.15Å; S173-L177 PolarHBondContact O-N 3.38Å
174Y97.8Very high97.6Very high47 Ų4740.6 Ų40.618%0.18423%0.226CC..G310 helixtrans-62-22.9176.155.7-100.6000113.2L15 A18 K19 L169 R172 N176 L177L15-Y174 HydrophobicContact CD2-CD1 4.28Å; L15-Y174 VanDerWaalsContact O-CB 3.25Å; L15-Y174 WeakPolarHBondContact O-CB 3.31Å; A18-Y174 HydrophobicContact CB-CD1 3.98Å; A18-Y174 HydrophobicContact CB-CG 4.02Å; K19-Y174 VanDerWaalsContact CD-O 3.28Å; K19-Y174 WeakPolarHBondContact CD-O 3.45Å; K19-Y174 WeakPolarHBondContact CG-O 3.45Å; L169-Y174 HydrophobicContact CD2-CD1 4.12Å; R172-Y174 HydrophobicContact CB-CE1 4.11Å; R172-Y174 HydrophobicContact CG-CE1 4.24Å; R172-Y174 PolarHBondContact O-N 2.86Å; Y174-N176 PolarHBondContact O-N 3.48Å; Y174-L177 PolarHBondContact O-N 3.07Å
175E97.5Very high97.4Very high95 Ų9547.2 Ų47.244%0.44426%0.261SS..G310 helixtrans-65.9-29.5176.2-64.4-176.3170.100112.5R172 S173R172-E175 HydrophobicContact CB-CG 4.36Å; R172-E175 IonicContact CZ-OE1 2.6Å; R172-E175 IonicContact NE-OE1 2.62Å; R172-E175 PolarHBondContact NE-OE1 2.91Å; R172-E175 IonicContact NH2-OE1 2.81Å; R172-E175 PolarHBondContact NH2-OE1 3.4Å; R172-E175 PolarHBondContact O-N 3.12Å; R172-E175 VanDerWaalsContact O-N 3.08Å; S173-E175 PolarHBondContact O-N 3.21Å
176N96.9Very high97.4Very high121 Ų12149.5 Ų49.565%0.64727%0.273SS*.G310 helixtrans-98.1-2.7-178.6-59.7-54.4000113.1S173 Y174 I178S173-N176 PolarHBondContact O-N 3.16Å; S173-N176 VanDerWaalsContact O-N 3.15Å; Y174-N176 PolarHBondContact O-N 3.48Å; N176-I178 PolarHBondContact O-N 3.09Å
177L98.5Very high97.3Very high0 Ų054.1 Ų54.10%030%0.295CS..  trans-66.9130.8176-177.792.3000109.3K12 L15 H16 K19 P53 S173 Y174 N193 I196K12-L177 HydrophobicContact CG-CD1 4.34Å; L15-L177 HydrophobicContact CB-CD1 4.38Å; L15-L177 HydrophobicContact CB-CD2 4.36Å; H16-L177 HydrophobicContact CB-CD2 3.58Å; K19-L177 PolarHBondContact NZ-O 3.19Å; P53-L177 HydrophobicContact CB-CD2 4.49Å; P53-L177 HydrophobicContact CG-CD1 4.17Å; P53-L177 HydrophobicContact CG-CD2 4.14Å; P53-L177 HydrophobicContact CG-CG 4.36Å; S173-L177 PolarHBondContact O-N 3.38Å; Y174-L177 PolarHBondContact O-N 3.07Å; L177-N193 WeakPolarHBondContact CA-OD1 3.48Å; L177-I196 HydrophobicContact CB-CD1 3.68Å; L177-I196 HydrophobicContact CD1-CD1 3.44Å; L177-I196 VanDerWaalsContact CD1-CD1 3.44Å; L177-I196 HydrophobicContact CG-CD1 4.11Å
178I98.6Very high97.3Very high31 Ų3162 Ų6216%0.15932%0.315CS..  trans-103.1123.8176-60.6-53000108.9N176 N182 N189 N193N176-I178 PolarHBondContact O-N 3.09Å; I178-N182 HydrophobicContact CG2-CB 4.16Å; I178-N189 HydrophobicContact CD1-CB 4.13Å; I178-N189 HydrophobicContact CG1-CB 4.22Å; I178-N189 HydrophobicContact CG2-CB 3.6Å; I178-N193 PolarHBondContact N-OD1 3.42Å; I178-N193 PolarHBondContact O-ND2 3.38Å
179D98.1Very high97.3Very high0 Ų064.1 Ų64.10%033%0.326CS..  trans-97.9178.3166.362.226.2000111.4H16 Y20 P53 H56 D181 N182 H183H16-D179 IonicContact NE2-OD2 3.74Å; Y20-D179 WeakPolarHBondContact CE2-OD2 3.41Å; Y20-D179 VanDerWaalsContact CZ-OD2 3.26Å; Y20-D179 PolarHBondContact OH-OD2 2.72Å; P53-D179 HydrophobicContact CB-CB 3.72Å; P53-D179 WeakPolarHBondContact O-CA 3.39Å; H56-D179 IonicContact CE1-OD1 2.71Å; H56-D179 IonicContact CE1-OD2 3.54Å; H56-D179 PolarHBondContact CE1-OD2 3.15Å; H56-D179 IonicContact CG-OD2 3.48Å; H56-D179 IonicContact ND1-OD1 3.79Å; H56-D179 IonicContact ND1-OD2 3.14Å; H56-D179 PolarHBondContact ND1-OD2 3.45Å; D179-D181 PolarHBondContact OD1-N 3.3Å; D179-N182 PolarHBondContact O-N 2.54Å; D179-N182 WeakPolarHBondContact OD1-CB 3.25Å; D179-N182 PolarHBondContact OD1-N 3.27Å; D179-N182 PolarHBondContact OD1-ND2 3.27Å; D179-N182 PolarHBondContact OD1-OD1 2.89Å; D179-H183 PolarHBondContact O-N 2.88Å; D179-H183 VanDerWaalsContact O-N 3.11Å
180F97.3Very high97.3Very high0 Ų067.4 Ų67.40%034%0.344CS..Hα-helixtrans-70.6-31.1-178.8-153.2-97.5000112.6P53 L54 F55 A68 L71 I72 H183 L184 W191P53-F180 PolarHBondContact O-N 3.11Å; L54-F180 HydrophobicContact CD2-CB 3.95Å; L54-F180 HydrophobicContact CD2-CG 4.19Å; L54-F180 CarbonylContact O-C 3.53Å; L54-F180 WeakPolarHBondContact O-CA 3.4Å; L54-F180 WeakPolarHBondContact O-CB 3.29Å; L54-F180 PolarHBondContact O-N 3.05Å; F55-F180 HydrophobicContact CE1-CB 4.4Å; F55-F180 HydrophobicContact CE1-CD1 4.03Å; F55-F180 HydrophobicContact CZ-CD1 4.35Å; A68-F180 HydrophobicContact CB-CD1 3.63Å; A68-F180 HydrophobicContact CB-CD2 4.49Å; A68-F180 HydrophobicContact CB-CE1 3.54Å; A68-F180 HydrophobicContact CB-CE2 4.43Å; A68-F180 HydrophobicContact CB-CG 4.12Å; A68-F180 HydrophobicContact CB-CZ 3.98Å; L71-F180 HydrophobicContact CB-CZ 4.49Å; L71-F180 HydrophobicContact CD1-CZ 3.8Å; I72-F180 HydrophobicContact CD1-CD2 4.45Å; F180-H183 WeakPolarHBondContact O-CB 3.39Å; F180-H183 PolarHBondContact O-N 2.97Å; F180-L184 HydrophobicContact CD1-CD1 3.9Å; F180-L184 HydrophobicContact CD1-CD2 4.37Å; F180-L184 HydrophobicContact CD1-CG 3.91Å; F180-L184 HydrophobicContact CE1-CD1 4.06Å; F180-L184 HydrophobicContact CE1-CD2 3.85Å; F180-L184 HydrophobicContact CE1-CG 3.92Å; F180-L184 VanDerWaalsContact O-CG 3.31Å; F180-L184 WeakPolarHBondContact O-CG 3.47Å; F180-L184 PolarHBondContact O-N 2.91Å; F180-W191 HydrophobicContact CD2-CB 4.33Å; F180-W191 HydrophobicContact CD2-CD2 4.46Å; F180-W191 HydrophobicContact CD2-CG 4.03Å; F180-W191 AromaticContact CE2-CD1 3.99Å; F180-W191 HydrophobicContact CE2-CG 4.32Å
181D96.6Very high97.3Very high39 Ų3963.9 Ų63.921%0.20932%0.32CS..Hα-helixtrans-58.2-48.3170.1-84.4-35.6000111.1L54 F55 H56 D179 H183 L184 D185L54-D181 PolarHBondContact O-N 2.82Å; L54-D181 VanDerWaalsContact O-N 3.09Å; F55-D181 WeakPolarHBondContact CA-OD2 3.21Å; F55-D181 WeakPolarHBondContact CB-OD2 3.25Å; F55-D181 WeakPolarHBondContact CD1-OD1 3.4Å; H56-D181 VanDerWaalsContact CE1-CB 3.5Å; H56-D181 WeakPolarHBondContact CE1-CB 3.47Å; H56-D181 IonicContact CE1-OD2 3.98Å; H56-D181 IonicContact CG-OD2 3.96Å; H56-D181 PolarHBondContact N-OD2 3.48Å; H56-D181 IonicContact ND1-OD2 2.79Å; D179-D181 PolarHBondContact OD1-N 3.3Å; D181-H183 VanDerWaalsContact C-N 3.26Å; D181-H183 PolarHBondContact O-N 2.93Å; D181-L184 PolarHBondContact O-N 3.11Å; D181-L184 VanDerWaalsContact O-N 3.14Å; D181-D185 PolarHBondContact O-N 3.21Å
182N97.1Very high97.3Very high24 Ų2462.4 Ų62.413%0.12830%0.3CS..Hα-helixtrans-63-32.8176.9-58.9159.3000112.5K19 Y20 I178 D179 D186 N189K19-N182 PolarHBondContact NZ-OD1 2.8Å; Y20-N182 PolarHBondContact OH-ND2 3.46Å; Y20-N182 PolarHBondContact OH-OD1 3.35Å; I178-N182 HydrophobicContact CG2-CB 4.16Å; D179-N182 PolarHBondContact O-N 2.54Å; D179-N182 WeakPolarHBondContact OD1-CB 3.25Å; D179-N182 PolarHBondContact OD1-N 3.27Å; D179-N182 PolarHBondContact OD1-ND2 3.27Å; D179-N182 PolarHBondContact OD1-OD1 2.89Å; N182-D186 PolarHBondContact O-N 2.96Å; N182-D186 VanDerWaalsContact O-N 3.11Å; N182-N189 PolarHBondContact O-ND2 2.97Å
183H96.9Very high97.3Very high29 Ų2956.1 Ų56.113%0.13428%0.277CS..Hα-helixtrans-69.3-40.6173.6177.773.1000112.2D179 F180 D181 D185 D186 L187 N189 W191D179-H183 PolarHBondContact O-N 2.88Å; D179-H183 VanDerWaalsContact O-N 3.11Å; F180-H183 WeakPolarHBondContact O-CB 3.39Å; F180-H183 PolarHBondContact O-N 2.97Å; D181-H183 VanDerWaalsContact C-N 3.26Å; D181-H183 PolarHBondContact O-N 2.93Å; H183-D185 VanDerWaalsContact C-N 3.29Å; H183-D185 PolarHBondContact O-N 3.08Å; H183-D186 CarbonylContact O-C 3.46Å; H183-D186 PolarHBondContact O-N 3.04Å; H183-L187 WeakPolarHBondContact O-CA 3.5Å; H183-L187 PolarHBondContact O-N 3.21Å; H183-N189 PolarHBondContact ND1-O 3.25Å; H183-W191 HydrophobicContact CB-CB 4.39Å; H183-W191 AromaticContact CD2-CD1 3.7Å; H183-W191 AromaticContact CE1-CD1 3.88Å; H183-W191 AromaticContact CG-CD1 3.57Å; H183-W191 AromaticContact ND1-CD1 3.69Å; H183-W191 AromaticContact NE2-CD1 3.89Å
184L94.1Very high97.3Very high65 Ų6558 Ų5834%0.3429%0.288SS..Hα-helixtrans-66.2-33.8177-69.9176.6000112F55 M64 F180 D181F55-L184 HydrophobicContact CE1-CD1 4.47Å; M64-L184 HydrophobicContact SD-CD1 4.05Å; F180-L184 HydrophobicContact CD1-CD1 3.9Å; F180-L184 HydrophobicContact CD1-CD2 4.37Å; F180-L184 HydrophobicContact CD1-CG 3.91Å; F180-L184 HydrophobicContact CE1-CD1 4.06Å; F180-L184 HydrophobicContact CE1-CD2 3.85Å; F180-L184 HydrophobicContact CE1-CG 3.92Å; F180-L184 VanDerWaalsContact O-CG 3.31Å; F180-L184 WeakPolarHBondContact O-CG 3.47Å; F180-L184 PolarHBondContact O-N 2.91Å; D181-L184 PolarHBondContact O-N 3.11Å; D181-L184 VanDerWaalsContact O-N 3.14Å
185D95.2Very high97.2Very high141 Ų14160.9 Ų60.975%0.75431%0.311SS*.Hα-helixtrans-69.6-38.9173.4-74-24.7000112.5D181 H183D181-D185 PolarHBondContact O-N 3.21Å; H183-D185 VanDerWaalsContact C-N 3.29Å; H183-D185 PolarHBondContact O-N 3.08Å
186D97.4Very high97.2Very high47 Ų4756.8 Ų56.825%0.25129%0.292SS..  trans-146.4108.1176.7-178.4-2.3000111.3N182 H183 R188 N189N182-D186 PolarHBondContact O-N 2.96Å; N182-D186 VanDerWaalsContact O-N 3.11Å; H183-D186 CarbonylContact O-C 3.46Å; H183-D186 PolarHBondContact O-N 3.04Å; D186-R188 PolarHBondContact O-N 3.39Å; D186-R188 VanDerWaalsContact OD1-CB 3.3Å; D186-R188 WeakPolarHBondContact OD1-CB 3.41Å; D186-R188 WeakPolarHBondContact OD1-CG 3.49Å; D186-R188 IonicContact OD1-CZ 3.25Å; D186-R188 PolarHBondContact OD1-N 2.91Å; D186-R188 IonicContact OD1-NE 3.07Å; D186-R188 PolarHBondContact OD1-NE 3.26Å; D186-R188 IonicContact OD1-NH2 2.66Å; D186-R188 IonicContact OD2-CZ 2.81Å; D186-R188 VanDerWaalsContact OD2-CZ 3.25Å; D186-R188 IonicContact OD2-NE 3.73Å; D186-R188 PolarHBondContact OD2-NE 2.6Å; D186-R188 IonicContact OD2-NH2 3.73Å; D186-R188 PolarHBondContact OD2-NH2 3.35Å; D186-N189 VanDerWaalsContact O-CB 3.3Å; D186-N189 WeakPolarHBondContact O-CB 3.49Å; D186-N189 PolarHBondContact O-N 3.43Å; D186-N189 PolarHBondContact O-ND2 3.34Å
187L96.1Very high97.3Very high129 Ų12952.8 Ų52.868%0.67527%0.27SS*.THydrogen-bonded Turntrans-61.6-12-176.6-61.2177.1000114.2H183 N189H183-L187 WeakPolarHBondContact O-CA 3.5Å; H183-L187 PolarHBondContact O-N 3.21Å; L187-N189 VanDerWaalsContact C-N 3.26Å
188R97.3Very high97.2Very high211 Ų21159.1 Ų59.180%0.79630%0.298SS*.THydrogen-bonded Turntrans-74-19.7173.3-60.9173.9-66.5-179.72.4112.4D186 D190D186-R188 PolarHBondContact O-N 3.39Å; D186-R188 VanDerWaalsContact OD1-CB 3.3Å; D186-R188 WeakPolarHBondContact OD1-CB 3.41Å; D186-R188 WeakPolarHBondContact OD1-CG 3.49Å; D186-R188 IonicContact OD1-CZ 3.25Å; D186-R188 PolarHBondContact OD1-N 2.91Å; D186-R188 IonicContact OD1-NE 3.07Å; D186-R188 PolarHBondContact OD1-NE 3.26Å; D186-R188 IonicContact OD1-NH2 2.66Å; D186-R188 IonicContact OD2-CZ 2.81Å; D186-R188 VanDerWaalsContact OD2-CZ 3.25Å; D186-R188 IonicContact OD2-NE 3.73Å; D186-R188 PolarHBondContact OD2-NE 2.6Å; D186-R188 IonicContact OD2-NH2 3.73Å; D186-R188 PolarHBondContact OD2-NH2 3.35Å; R188-D190 PolarHBondContact O-N 3.08Å
189N98.2Very high97.1Very high51 Ų5159.8 Ų59.827%0.27331%0.305SS..SBendtrans-75.2122.8177.6-67-34000109.9I178 N182 H183 D186 L187 W191I178-N189 HydrophobicContact CD1-CB 4.13Å; I178-N189 HydrophobicContact CG1-CB 4.22Å; I178-N189 HydrophobicContact CG2-CB 3.6Å; N182-N189 PolarHBondContact O-ND2 2.97Å; H183-N189 PolarHBondContact ND1-O 3.25Å; D186-N189 VanDerWaalsContact O-CB 3.3Å; D186-N189 WeakPolarHBondContact O-CB 3.49Å; D186-N189 PolarHBondContact O-N 3.43Å; D186-N189 PolarHBondContact O-ND2 3.34Å; L187-N189 VanDerWaalsContact C-N 3.26Å; N189-W191 PolarHBondContact O-N 2.93Å
190D98.1Very high97Very high71 Ų7160 Ų6038%0.3831%0.307SS..  trans-90.3105.5-177.9-174.3-8.4000111.5R188 T192 N193 P194R188-D190 PolarHBondContact O-N 3.08Å; D190-T192 PolarHBondContact O-N 3.13Å; D190-T192 VanDerWaalsContact OD1-CB 3.31Å; D190-T192 WeakPolarHBondContact OD1-CB 3.17Å; D190-T192 WeakPolarHBondContact OD1-CG2 3.48Å; D190-T192 PolarHBondContact OD1-N 2.88Å; D190-T192 PolarHBondContact OD1-OG1 2.97Å; D190-T192 PolarHBondContact OD2-OG1 3.47Å; D190-N193 PolarHBondContact O-N 2.65Å; D190-N193 VanDerWaalsContact O-N 3.1Å; D190-P194 WeakPolarHBondContact OD2-CD 3.21Å; D190-P194 WeakPolarHBondContact OD2-CG 3.42Å
191W97.7Very high97Very high26 Ų2665.8 Ų65.810%0.09834%0.337CS..THydrogen-bonded Turntrans-66.4-12.9178.956.2-99.1000113.7V52 I72 W75 F180 H183 N189 N193V52-W191 HydrophobicContact CB-CE3 4.44Å; V52-W191 HydrophobicContact CG1-CD2 4.36Å; V52-W191 HydrophobicContact CG1-CE3 3.48Å; V52-W191 VanDerWaalsContact CG1-CE3 3.48Å; V52-W191 HydrophobicContact CG1-CZ3 3.95Å; V52-W191 HydrophobicContact CG2-CE3 4.06Å; V52-W191 HydrophobicContact CG2-CZ3 3.8Å; I72-W191 HydrophobicContact CG1-CE3 4.48Å; I72-W191 HydrophobicContact CG1-CH2 3.94Å; I72-W191 HydrophobicContact CG1-CZ2 4.35Å; I72-W191 HydrophobicContact CG1-CZ3 4.02Å; W75-W191 HydrophobicContact CB-CH2 3.77Å; W75-W191 HydrophobicContact CB-CZ2 4.18Å; W75-W191 AromaticContact CD2-CH2 3.66Å; W75-W191 HydrophobicContact CD2-CH2 3.66Å; W75-W191 HydrophobicContact CD2-CZ3 4.22Å; W75-W191 AromaticContact CE3-CH2 4Å; W75-W191 HydrophobicContact CE3-CH2 4Å; W75-W191 HydrophobicContact CE3-CZ3 4.24Å; W75-W191 AromaticContact CG-CH2 3.55Å; W75-W191 HydrophobicContact CG-CH2 3.55Å; W75-W191 HydrophobicContact CG-CZ2 4.14Å; F180-W191 HydrophobicContact CD2-CB 4.33Å; F180-W191 HydrophobicContact CD2-CD2 4.46Å; F180-W191 HydrophobicContact CD2-CG 4.03Å; F180-W191 AromaticContact CE2-CD1 3.99Å; F180-W191 HydrophobicContact CE2-CG 4.32Å; H183-W191 HydrophobicContact CB-CB 4.39Å; H183-W191 AromaticContact CD2-CD1 3.7Å; H183-W191 AromaticContact CE1-CD1 3.88Å; H183-W191 AromaticContact CG-CD1 3.57Å; H183-W191 AromaticContact ND1-CD1 3.69Å; H183-W191 AromaticContact NE2-CD1 3.89Å; N189-W191 PolarHBondContact O-N 2.93Å; W191-N193 PolarHBondContact O-N 2.88Å; W191-N193 PolarHBondContact O-ND2 2.99Å
192T97.6Very high96.9Very high23 Ų2369.4 Ų69.414%0.14136%0.356CS..THydrogen-bonded Turntrans-74.8-13.617372.10000112.5K12 W75 D190K12-T192 PolarHBondContact NZ-O 3.42Å; W75-T192 HydrophobicContact CZ2-CG2 3.89Å; D190-T192 PolarHBondContact O-N 3.13Å; D190-T192 VanDerWaalsContact OD1-CB 3.31Å; D190-T192 WeakPolarHBondContact OD1-CB 3.17Å; D190-T192 WeakPolarHBondContact OD1-CG2 3.48Å; D190-T192 PolarHBondContact OD1-N 2.88Å; D190-T192 PolarHBondContact OD1-OG1 2.97Å; D190-T192 PolarHBondContact OD2-OG1 3.47Å
193N98.4Very high96.6Very high6 Ų671.3 Ų71.33%0.03237%0.366CS..  trans55.252.8175.6-70.7-86000114.7L177 I178 D190 W191 T195 I196 N197L177-N193 WeakPolarHBondContact CA-OD1 3.48Å; I178-N193 PolarHBondContact N-OD1 3.42Å; I178-N193 PolarHBondContact O-ND2 3.38Å; D190-N193 PolarHBondContact O-N 2.65Å; D190-N193 VanDerWaalsContact O-N 3.1Å; W191-N193 PolarHBondContact O-N 2.88Å; W191-N193 PolarHBondContact O-ND2 2.99Å; N193-T195 VanDerWaalsContact C-N 3.28Å; N193-T195 PolarHBondContact O-N 3.09Å; N193-I196 HydrophobicContact CB-CB 4.26Å; N193-I196 HydrophobicContact CB-CD1 4.4Å; N193-I196 PolarHBondContact O-N 3.06Å; N193-I196 VanDerWaalsContact O-N 3.11Å; N193-N197 PolarHBondContact O-N 3.25Å; N193-N197 PolarHBondContact O-OD1 3.37Å
194P97.6Very high96Very high63 Ų6374.8 Ų74.841%0.40939%0.392SS..Hα-helixtrans-62.3-32.8-174.726.3-35.6000113.3D190 N197 K198D190-P194 WeakPolarHBondContact OD2-CD 3.21Å; D190-P194 WeakPolarHBondContact OD2-CG 3.42Å; P194-N197 PolarHBondContact O-N 3.29Å; P194-K198 WeakPolarHBondContact O-CB 3.31Å; P194-K198 PolarHBondContact O-N 3.08Å
195T97.2Very high96.1Very high107 Ų10775.3 Ų75.366%0.65640%0.395SS*.Hα-helixtrans-64.5-41.5176.7-52.80000111.6N193 K198 S199N193-T195 VanDerWaalsContact C-N 3.28Å; N193-T195 PolarHBondContact O-N 3.09Å; T195-K198 PolarHBondContact O-N 2.98Å; T195-S199 PolarHBondContact O-N 3.33Å; T195-S199 PolarHBondContact O-OG 3.06Å
196I97.6Very high96.1Very high8 Ų871.8 Ų71.84%0.04138%0.376CS..Hα-helixtrans-70.1-41.6177-67.9173.4000110.2K12 L15 L177 N193 K198 S199 V200K12-I196 HydrophobicContact CG-CG2 4.17Å; L15-I196 HydrophobicContact CD1-CD1 4.4Å; L15-I196 HydrophobicContact CD1-CG2 3.98Å; L177-I196 HydrophobicContact CB-CD1 3.68Å; L177-I196 HydrophobicContact CD1-CD1 3.44Å; L177-I196 VanDerWaalsContact CD1-CD1 3.44Å; L177-I196 HydrophobicContact CG-CD1 4.11Å; N193-I196 HydrophobicContact CB-CB 4.26Å; N193-I196 HydrophobicContact CB-CD1 4.4Å; N193-I196 PolarHBondContact O-N 3.06Å; N193-I196 VanDerWaalsContact O-N 3.11Å; I196-K198 PolarHBondContact O-N 3.24Å; I196-S199 WeakPolarHBondContact O-CB 3.39Å; I196-S199 PolarHBondContact O-N 2.93Å; I196-V200 WeakPolarHBondContact O-CG2 3.41Å; I196-V200 PolarHBondContact O-N 2.95Å
197N97.4Very high96Very high37 Ų3773.2 Ų73.220%0.19838%0.383CS..Hα-helixtrans-55.9-42.9174.9-68.12000111.4Q8 K12 N193 P194 V200 L201Q8-N197 PolarHBondContact OE1-OD1 2.81Å; K12-N197 WeakPolarHBondContact CE-OD1 3.29Å; K12-N197 PolarHBondContact NZ-OD1 3.29Å; N193-N197 PolarHBondContact O-N 3.25Å; N193-N197 PolarHBondContact O-OD1 3.37Å; P194-N197 PolarHBondContact O-N 3.29Å; N197-V200 PolarHBondContact O-N 2.6Å; N197-L201 PolarHBondContact O-N 3.1Å
198K97.4Very high96Very high134 Ų13469.9 Ų69.958%0.58337%0.366SS*.Hα-helixtrans-63.4-44.5175.1-173.9178.5177.3-178.60112P194 T195 I196 V200 L201 D202P194-K198 WeakPolarHBondContact O-CB 3.31Å; P194-K198 PolarHBondContact O-N 3.08Å; T195-K198 PolarHBondContact O-N 2.98Å; I196-K198 PolarHBondContact O-N 3.24Å; K198-V200 VanDerWaalsContact C-N 3.28Å; K198-V200 PolarHBondContact O-N 3.08Å; K198-L201 PolarHBondContact O-N 3.22Å; K198-D202 VanDerWaalsContact O-CG 3.29Å; K198-D202 PolarHBondContact O-N 3.17Å
199S96.9Very high95.9Very high44 Ų4461.1 Ų61.131%0.30834%0.339SS..Hα-helixtrans-62.6-33.9176.8-60.60000113.2T195 I196 L203T195-S199 PolarHBondContact O-N 3.33Å; T195-S199 PolarHBondContact O-OG 3.06Å; I196-S199 WeakPolarHBondContact O-CB 3.39Å; I196-S199 PolarHBondContact O-N 2.93Å; S199-L203 WeakPolarHBondContact O-CD1 3.31Å; S199-L203 VanDerWaalsContact O-CG 3.26Å; S199-L203 WeakPolarHBondContact O-CG 3.26Å; S199-L203 PolarHBondContact O-N 3.4Å
200V96.2Very high95.8Very high5 Ų561.7 Ų61.73%0.0334%0.343CS..Hα-helixtrans-63.5-50.9171.9171.50000110Q8 C11 I164 L168 I196 N197 K198 D202 L203 C204Q8-V200 HydrophobicContact CB-CG1 4.17Å; C11-V200 WeakPolarHBondContact SG-CG2 2.88Å; I164-V200 HydrophobicContact CD1-CG1 4.3Å; I164-V200 HydrophobicContact CG2-CB 4.43Å; I164-V200 HydrophobicContact CG2-CG1 4.22Å; I164-V200 HydrophobicContact CG2-CG2 4.18Å; L168-V200 HydrophobicContact CD1-CG2 3.76Å; I196-V200 WeakPolarHBondContact O-CG2 3.41Å; I196-V200 PolarHBondContact O-N 2.95Å; N197-V200 PolarHBondContact O-N 2.6Å; K198-V200 VanDerWaalsContact C-N 3.28Å; K198-V200 PolarHBondContact O-N 3.08Å; V200-D202 VanDerWaalsContact C-N 3.28Å; V200-D202 PolarHBondContact O-N 3.1Å; V200-L203 PolarHBondContact O-N 3.11Å; V200-C204 PolarHBondContact O-N 3.25Å; V200-C204 VanDerWaalsContact O-N 3.14Å; V200-C204 PolarHBondContact O-SG 2.92Å
201L95.3Very high95.6Very high122 Ų12261.1 Ų61.164%0.63934%0.341SS*.Hα-helixtrans-59.6-37.6-179.9-175.866.9000112.8N197 K198 L203N197-L201 PolarHBondContact O-N 3.1Å; K198-L201 PolarHBondContact O-N 3.22Å; L201-L203 PolarHBondContact O-N 3.04Å
202D94.9Very high95.5Very high114 Ų11463.8 Ų63.861%0.6136%0.359SS*.THydrogen-bonded Turntrans-70.1-14.2177.6-68.4-22.8000112.9K198 V200K198-D202 VanDerWaalsContact O-CG 3.29Å; K198-D202 PolarHBondContact O-N 3.17Å; V200-D202 VanDerWaalsContact C-N 3.28Å; V200-D202 PolarHBondContact O-N 3.1Å
203L92.3Very high95.3Very high64 Ų6467.2 Ų67.234%0.33538%0.377SS..THydrogen-bonded Turntrans-106.6-14.3-178.5-69.8171.2000114.5I164 A167 L168 S199 V200 L201I164-L203 HydrophobicContact CD1-CB 4.37Å; I164-L203 HydrophobicContact CG1-CB 3.92Å; I164-L203 HydrophobicContact CG2-CB 4.39Å; I164-L203 HydrophobicContact CG2-CD1 4.28Å; A167-L203 HydrophobicContact CB-CD1 4.03Å; L168-L203 HydrophobicContact CD2-CD1 3.84Å; L168-L203 HydrophobicContact CG-CD1 4.03Å; S199-L203 WeakPolarHBondContact O-CD1 3.31Å; S199-L203 VanDerWaalsContact O-CG 3.26Å; S199-L203 WeakPolarHBondContact O-CG 3.26Å; S199-L203 PolarHBondContact O-N 3.4Å; V200-L203 PolarHBondContact O-N 3.11Å; L201-L203 PolarHBondContact O-N 3.04Å
204C82.5Confident95Very high102 Ų10272.7 Ų72.769%0.68941%0.409SS*.  trans-65.80168.2-68.70000110.1E160 I164 V200E160-C204 PolarHBondContact OE1-SG 2.77Å; E160-C204 VanDerWaalsContact OE1-SG 3.34Å; I164-C204 HydrophobicContact CD1-CB 4.37Å; I164-C204 WeakPolarHBondContact CD1-SG 2.95Å; V200-C204 PolarHBondContact O-N 3.25Å; V200-C204 VanDerWaalsContact O-N 3.14Å; V200-C204 PolarHBondContact O-SG 2.92Å

Retrieved 204 of 204 residues in 106.7 ms (Link to these results)

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