A0A087XSI9_POEFO Loading...

Leucine-rich repeat-containing protein 57

AlphaFold DB , UniProt , Accession A0A087XSI9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 238 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
1M43.3Very low69.5Low224 Ų22486.6 Ų86.6100%1.10349%0.493SS*.  0-140-69.6-166.6-113.200114.6S4M1-S4 PolarHBondContact O-OG 3.36Å
2G45.8Very low71Confident65 Ų6586.1 Ų86.167%0.6749%0.493SS*.Hα-helixtrans-70.8-28.5179.700000116
3N52.1Low72.5Confident129 Ų12979.6 Ų79.669%0.6946%0.456SS*.Hα-helixtrans-78.4-27.1-171.8-129-2000114.3K7N3-K7 PolarHBondContact O-N 2.93Å
4S60.2Low73.6Confident86 Ų8682.8 Ų82.860%0.60147%0.465SS*.Hα-helixtrans-75.2-37.5178.753.30000112.4M1 K7 S8M1-S4 PolarHBondContact O-OG 3.36Å; S4-K7 PolarHBondContact O-N 3.06Å; S4-S8 PolarHBondContact O-N 2.78Å
5A67.4Low74.6Confident38 Ų3889.4 Ų89.431%0.31449%0.486SS..Hα-helixtrans-62.1-51176.200000110.6K7 S8 H9A5-K7 VanDerWaalsContact C-N 3.31Å; A5-K7 PolarHBondContact O-N 3.28Å; A5-S8 PolarHBondContact O-N 3.46Å; A5-S8 PolarHBondContact O-OG 3.22Å; A5-H9 PolarHBondContact O-CD2 3.49Å; A5-H9 PolarHBondContact O-N 3.05Å; A5-H9 VanDerWaalsContact O-N 3.1Å
6L78.9Confident75.7Confident21 Ų2188.5 Ų88.511%0.1149%0.485CS..Hα-helixtrans-55.9-45179.6-172.267.4000112S8 H9 L10 F19 L21 P30L6-S8 PolarHBondContact O-N 3.22Å; L6-H9 PolarHBondContact O-N 3.24Å; L6-L10 HydrophobicContact CG-CD1 4.12Å; L6-L10 VanDerWaalsContact O-CG 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.48Å; L6-L10 PolarHBondContact O-N 3.35Å; L6-F19 HydrophobicContact CD1-CE2 4.37Å; L6-F19 HydrophobicContact CD1-CZ 3.85Å; L6-L21 HydrophobicContact CD1-CD2 3.47Å; L6-L21 VanDerWaalsContact CD1-CD2 3.47Å; L6-P30 HydrophobicContact CD1-CB 4.31Å; L6-P30 HydrophobicContact CD1-CG 4.46Å
7K80.3Confident76.8Confident134 Ų13483.3 Ų83.358%0.58346%0.456SS*.Hα-helixtrans-60.5-45.7179.3-168.5177.7177.9-175.40112.9N3 S4 A5 H9 L10 E11N3-K7 PolarHBondContact O-N 2.93Å; S4-K7 PolarHBondContact O-N 3.06Å; A5-K7 VanDerWaalsContact C-N 3.31Å; A5-K7 PolarHBondContact O-N 3.28Å; K7-H9 VanDerWaalsContact C-N 3.34Å; K7-H9 PolarHBondContact O-N 3.3Å; K7-L10 PolarHBondContact O-N 3.1Å; K7-E11 WeakPolarHBondContact CE-OE1 3.4Å; K7-E11 PolarHBondContact O-N 3.45Å
8S80.5Confident77.9Confident59 Ų5981.4 Ų81.441%0.41345%0.448SS..Hα-helixtrans-64.3-37.3178.168.60000113S4 A5 L6 T12S4-S8 PolarHBondContact O-N 2.78Å; A5-S8 PolarHBondContact O-N 3.46Å; A5-S8 PolarHBondContact O-OG 3.22Å; L6-S8 PolarHBondContact O-N 3.22Å; S8-T12 PolarHBondContact O-N 3.38Å; S8-T12 VanDerWaalsContact O-N 3.13Å; S8-T12 PolarHBondContact O-OG1 2.92Å
9H84.5Confident78.8Confident63 Ų6377.2 Ų77.229%0.29242%0.424SS..Hα-helixtrans-66.3-41.7174.2-75.2-72.8000111.3A5 L6 K7 T12 S13 F19 Q20A5-H9 PolarHBondContact O-CD2 3.49Å; A5-H9 PolarHBondContact O-N 3.05Å; A5-H9 VanDerWaalsContact O-N 3.1Å; L6-H9 PolarHBondContact O-N 3.24Å; K7-H9 VanDerWaalsContact C-N 3.34Å; K7-H9 PolarHBondContact O-N 3.3Å; H9-T12 PolarHBondContact O-N 3.23Å; H9-S13 VanDerWaalsContact O-CB 3.25Å; H9-S13 WeakPolarHBondContact O-CB 3.45Å; H9-S13 PolarHBondContact O-N 2.61Å; H9-S13 PolarHBondContact O-OG 3.23Å; H9-F19 HydrophobicContact CB-CD2 4.45Å; H9-F19 HydrophobicContact CB-CE2 3.89Å; H9-F19 HydrophobicContact CB-CZ 4.47Å; H9-Q20 PolarHBondContact ND1-O 2.92Å
10L86.1Confident79.6Confident31 Ų3178.7 Ų78.716%0.16243%0.428CS..Hα-helixtrans-61.8-45.4177.1-70.7168.2000112.3L6 K7 T12 S13 Q14 F19 E32 L33 L36L6-L10 HydrophobicContact CG-CD1 4.12Å; L6-L10 VanDerWaalsContact O-CG 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.48Å; L6-L10 PolarHBondContact O-N 3.35Å; K7-L10 PolarHBondContact O-N 3.1Å; L10-T12 PolarHBondContact O-N 2.86Å; L10-S13 PolarHBondContact O-N 2.87Å; L10-Q14 PolarHBondContact O-N 3.45Å; L10-F19 HydrophobicContact CD2-CD2 4.23Å; L10-F19 HydrophobicContact CD2-CE2 3.8Å; L10-F19 HydrophobicContact CG-CE2 4.16Å; L10-E32 HydrophobicContact CD1-CB 3.65Å; L10-E32 HydrophobicContact CD1-CG 4.3Å; L10-E32 HydrophobicContact CD2-CB 4.29Å; L10-L33 HydrophobicContact CD2-CD2 3.85Å; L10-L36 HydrophobicContact CD2-CD1 3.81Å
11E85.9Confident80.2Confident103 Ų10375.3 Ų75.348%0.48141%0.41SS..Hα-helixtrans-62.8-41.6178.1-71.8174.8-167.400112K7 S13 Q14K7-E11 WeakPolarHBondContact CE-OE1 3.4Å; K7-E11 PolarHBondContact O-N 3.45Å; E11-S13 VanDerWaalsContact C-N 3.34Å; E11-Q14 PolarHBondContact O-N 3.34Å
12T87.6Confident82.6Confident80 Ų8067.6 Ų67.649%0.49138%0.375SS..Hα-helixtrans-65.4-40.8175.4-56.30000111.3S8 H9 L10 Q14 K15 T16S8-T12 PolarHBondContact O-N 3.38Å; S8-T12 VanDerWaalsContact O-N 3.13Å; S8-T12 PolarHBondContact O-OG1 2.92Å; H9-T12 PolarHBondContact O-N 3.23Å; L10-T12 PolarHBondContact O-N 2.86Å; T12-Q14 VanDerWaalsContact C-N 3.31Å; T12-Q14 PolarHBondContact O-N 3.48Å; T12-K15 PolarHBondContact O-N 2.99Å; T12-K15 VanDerWaalsContact O-N 3.17Å; T12-T16 HydrophobicContact CG2-CG2 4.19Å; T12-T16 WeakPolarHBondContact O-CG2 3.38Å; T12-T16 PolarHBondContact O-N 2.9Å; T12-T16 PolarHBondContact O-OG1 3.13Å
13S89.6Confident84.9Confident2 Ų268 Ų681%0.01437%0.372CS..Hα-helixtrans-67.7-32.7179.9-57.40000112.2H9 L10 E11 K15 T16 G17 V18 F19H9-S13 VanDerWaalsContact O-CB 3.25Å; H9-S13 WeakPolarHBondContact O-CB 3.45Å; H9-S13 PolarHBondContact O-N 2.61Å; H9-S13 PolarHBondContact O-OG 3.23Å; L10-S13 PolarHBondContact O-N 2.87Å; E11-S13 VanDerWaalsContact C-N 3.34Å; S13-K15 PolarHBondContact O-N 3.43Å; S13-T16 PolarHBondContact O-N 3.47Å; S13-G17 WeakPolarHBondContact O-CA 3.27Å; S13-G17 PolarHBondContact O-N 2.93Å; S13-V18 WeakPolarHBondContact CA-O 3.18Å; S13-V18 WeakPolarHBondContact CB-O 3.3Å; S13-V18 PolarHBondContact OG-O 3.17Å; S13-F19 VanDerWaalsContact OG-CA 3.27Å; S13-F19 WeakPolarHBondContact OG-CA 3.27Å; S13-F19 WeakPolarHBondContact OG-CB 3.46Å; S13-F19 WeakPolarHBondContact OG-CD2 3.33Å
14Q88.7Confident86.8Confident124 Ų12468.3 Ų68.358%0.57937%0.368SS*.Hα-helixtrans-61-33.7173.8-170177.87.500112.1L10 E11 T12 L36 N39L10-Q14 PolarHBondContact O-N 3.45Å; E11-Q14 PolarHBondContact O-N 3.34Å; T12-Q14 VanDerWaalsContact C-N 3.31Å; T12-Q14 PolarHBondContact O-N 3.48Å; Q14-L36 HydrophobicContact CB-CD2 3.82Å; Q14-L36 HydrophobicContact CG-CD2 3.98Å; Q14-N39 PolarHBondContact O-ND2 3.39Å
15K88.8Confident88.3Confident182 Ų18265.8 Ų65.879%0.79136%0.355SS*.Hα-helixtrans-85.4-38.7179-61.7180-176176.30112.7T12 S13T12-K15 PolarHBondContact O-N 2.99Å; T12-K15 VanDerWaalsContact O-N 3.17Å; S13-K15 PolarHBondContact O-N 3.43Å
16T92.6Very high89.5Confident75 Ų7565.8 Ų65.846%0.4635%0.35SS..Hα-helixtrans-96.5-22.2-17059.80000114.2T12 S13 V18T12-T16 HydrophobicContact CG2-CG2 4.19Å; T12-T16 WeakPolarHBondContact O-CG2 3.38Å; T12-T16 PolarHBondContact O-N 2.9Å; T12-T16 PolarHBondContact O-OG1 3.13Å; S13-T16 PolarHBondContact O-N 3.47Å; T16-V18 PolarHBondContact O-N 3.39Å; T16-V18 PolarHBondContact OG1-N 2.89Å; T16-V18 PolarHBondContact OG1-O 3.22Å
17G94.3Very high90.2Very high0 Ų071.7 Ų71.70%038%0.377CS..SBendtrans71.312-16900000113.6S13 N39 R41 T42S13-G17 WeakPolarHBondContact O-CA 3.27Å; S13-G17 PolarHBondContact O-N 2.93Å; G17-N39 WeakPolarHBondContact CA-O 3.44Å; G17-R41 PolarHBondContact O-N 3.22Å; G17-T42 PolarHBondContact O-N 3Å; G17-T42 VanDerWaalsContact O-N 3.11Å
18V95.9Very high90.9Very high50 Ų5072.2 Ų72.230%0.30338%0.381SS..EExtended strand (participates in β ladder)trans-120.3117.2-178.8179.20000109S13 T16 Q20 T42S13-V18 WeakPolarHBondContact CA-O 3.18Å; S13-V18 WeakPolarHBondContact CB-O 3.3Å; S13-V18 PolarHBondContact OG-O 3.17Å; T16-V18 PolarHBondContact O-N 3.39Å; T16-V18 PolarHBondContact OG1-N 2.89Å; T16-V18 PolarHBondContact OG1-O 3.22Å; V18-Q20 HydrophobicContact CG1-CG 3.9Å; V18-T42 WeakPolarHBondContact CA-O 3.28Å; V18-T42 HydrophobicContact CG1-CG2 4.22Å
19F95.3Very high91.5Very high0 Ų070 Ų700%036%0.364CS..EExtended strand (participates in β ladder)trans-109.1124172.3-174.2-89.4000110.2L6 H9 L10 S13 L21 L33 L40 T42 V43 D44 L45L6-F19 HydrophobicContact CD1-CE2 4.37Å; L6-F19 HydrophobicContact CD1-CZ 3.85Å; H9-F19 HydrophobicContact CB-CD2 4.45Å; H9-F19 HydrophobicContact CB-CE2 3.89Å; H9-F19 HydrophobicContact CB-CZ 4.47Å; L10-F19 HydrophobicContact CD2-CD2 4.23Å; L10-F19 HydrophobicContact CD2-CE2 3.8Å; L10-F19 HydrophobicContact CG-CE2 4.16Å; S13-F19 VanDerWaalsContact OG-CA 3.27Å; S13-F19 WeakPolarHBondContact OG-CA 3.27Å; S13-F19 WeakPolarHBondContact OG-CB 3.46Å; S13-F19 WeakPolarHBondContact OG-CD2 3.33Å; F19-L21 HydrophobicContact CD1-CB 4.47Å; F19-L21 HydrophobicContact CE1-CB 3.57Å; F19-L21 HydrophobicContact CE1-CD2 4.29Å; F19-L21 HydrophobicContact CZ-CB 3.88Å; F19-L21 HydrophobicContact CZ-CD2 3.91Å; F19-L33 HydrophobicContact CB-CD2 4.09Å; F19-L33 HydrophobicContact CD1-CD1 4.1Å; F19-L33 HydrophobicContact CD1-CD2 3.72Å; F19-L33 HydrophobicContact CD2-CD2 3.34Å; F19-L33 HydrophobicContact CE1-CD1 4.08Å; F19-L33 HydrophobicContact CE1-CD2 3.92Å; F19-L33 HydrophobicContact CE1-CG 4.45Å; F19-L33 HydrophobicContact CE2-CD2 3.58Å; F19-L33 HydrophobicContact CG-CD2 3.43Å; F19-L33 VanDerWaalsContact CG-CD2 3.43Å; F19-L33 HydrophobicContact CZ-CD2 3.85Å; F19-L33 HydrophobicContact CZ-CG 4.48Å; F19-L40 HydrophobicContact CB-CD1 4.44Å; F19-L40 HydrophobicContact CB-CD2 3.78Å; F19-T42 PolarHBondContact N-O 3.34Å; F19-V43 HydrophobicContact CB-CG2 4.42Å; F19-V43 CarbonylContact O-C 3.5Å; F19-V43 VanDerWaalsContact O-CA 3.32Å; F19-V43 WeakPolarHBondContact O-CA 3.12Å; F19-D44 PolarHBondContact O-N 3.35Å; F19-L45 HydrophobicContact CD1-CD2 3.89Å; F19-L45 HydrophobicContact CE1-CD2 3.5Å; F19-L45 VanDerWaalsContact CE1-CD2 3.5Å
20Q93.9Very high91.8Very high107 Ų10767.5 Ų67.550%0.535%0.353SS..EExtended strand (participates in β ladder)trans-133.1124.6177.5-62.4-177.3-16.300109.2H9 V18 D44H9-Q20 PolarHBondContact ND1-O 2.92Å; V18-Q20 HydrophobicContact CG1-CG 3.9Å; Q20-D44 WeakPolarHBondContact CA-O 3.43Å; Q20-D44 HydrophobicContact CB-CB 4.43Å; Q20-D44 HydrophobicContact CG-CB 3.99Å
21L93.2Very high91.9Very high8 Ų872.5 Ų72.54%0.04238%0.376CS..  trans-147.574.5176.7-166.359.1000110.4L6 F19 K24 L26 D44 L45 N48L6-L21 HydrophobicContact CD1-CD2 3.47Å; L6-L21 VanDerWaalsContact CD1-CD2 3.47Å; F19-L21 HydrophobicContact CD1-CB 4.47Å; F19-L21 HydrophobicContact CE1-CB 3.57Å; F19-L21 HydrophobicContact CE1-CD2 4.29Å; F19-L21 HydrophobicContact CZ-CB 3.88Å; F19-L21 HydrophobicContact CZ-CD2 3.91Å; L21-K24 HydrophobicContact CD1-CG 3.59Å; L21-K24 HydrophobicContact CG-CB 4.38Å; L21-K24 HydrophobicContact CG-CG 3.85Å; L21-L26 HydrophobicContact CB-CD1 4.44Å; L21-L26 HydrophobicContact CD2-CD1 3.77Å; L21-L26 HydrophobicContact CD2-CD2 4.29Å; L21-L26 HydrophobicContact CD2-CG 4.48Å; L21-L26 HydrophobicContact CG-CD1 4.06Å; L21-D44 PolarHBondContact N-O 2.82Å; L21-L45 HydrophobicContact CB-CD2 4.14Å; L21-N48 PolarHBondContact O-ND2 3.01Å
22T94.3Very high92Very high62 Ų6271.1 Ų71.138%0.3837%0.369SS..  trans-91.1149-17460.50000112.5K24 D44 S46T22-K24 VanDerWaalsContact C-N 3.29Å; T22-K24 WeakPolarHBondContact O-CG 3.25Å; T22-K24 PolarHBondContact O-N 2.84Å; T22-D44 HydrophobicContact CG2-CB 4.5Å; T22-S46 CarbonylContact C-O 3.21Å; T22-S46 WeakPolarHBondContact CA-O 3.36Å; T22-S46 WeakPolarHBondContact CB-O 3.43Å
23A93.1Very high92.2Very high74 Ų7467.3 Ų67.361%0.61235%0.346SS*.SBendtrans54.338172.200000114.8S46 G47A23-S46 PolarHBondContact N-O 3.44Å; A23-G47 VanDerWaalsContact CA-O 3.3Å; A23-G47 WeakPolarHBondContact CA-O 3.45Å
24K92.1Very high92.1Very high136 Ų13670.9 Ų70.959%0.59136%0.363SS*.SBendtrans-104.41.4178.6-60.1-50.7176.6-175.20113.9L21 T22 L26 N48L21-K24 HydrophobicContact CD1-CG 3.59Å; L21-K24 HydrophobicContact CG-CB 4.38Å; L21-K24 HydrophobicContact CG-CG 3.85Å; T22-K24 VanDerWaalsContact C-N 3.29Å; T22-K24 WeakPolarHBondContact O-CG 3.25Å; T22-K24 PolarHBondContact O-N 2.84Å; K24-L26 VanDerWaalsContact C-N 3.27Å; K24-L26 HydrophobicContact CB-CG 4.36Å; K24-L26 PolarHBondContact O-N 2.79Å; K24-N48 PolarHBondContact N-OD1 3.43Å
25G92.4Very high92.2Very high33 Ų3375.2 Ų75.234%0.3437%0.374SS..  trans67.627-179.600000113.3Q27 N48G25-Q27 PolarHBondContact O-N 3.11Å; G25-N48 PolarHBondContact N-OD1 2.87Å
26L92.4Very high92.4Very high38 Ų3867.2 Ų67.220%0.19934%0.339CS..  trans-58128.4174.1-60.9170.3000109.5L21 K24 P30 L45 N48 K49 I50L21-L26 HydrophobicContact CB-CD1 4.44Å; L21-L26 HydrophobicContact CD2-CD1 3.77Å; L21-L26 HydrophobicContact CD2-CD2 4.29Å; L21-L26 HydrophobicContact CD2-CG 4.48Å; L21-L26 HydrophobicContact CG-CD1 4.06Å; K24-L26 VanDerWaalsContact C-N 3.27Å; K24-L26 HydrophobicContact CB-CG 4.36Å; K24-L26 PolarHBondContact O-N 2.79Å; L26-P30 HydrophobicContact CD1-CG 4.07Å; L26-L45 HydrophobicContact CD1-CD2 4.26Å; L26-N48 HydrophobicContact CB-CB 3.96Å; L26-N48 PolarHBondContact N-OD1 3.09Å; L26-K49 CarbonylContact O-C 3.56Å; L26-K49 VanDerWaalsContact O-C 3.25Å; L26-K49 VanDerWaalsContact O-CA 3.28Å; L26-K49 WeakPolarHBondContact O-CA 3.41Å; L26-K49 PolarHBondContact O-N 2.95Å; L26-I50 HydrophobicContact CB-CG1 4.43Å; L26-I50 PolarHBondContact O-N 2.79Å
27Q93.9Very high92.3Very high145 Ų14565.4 Ų65.468%0.67833%0.328SS*.SBendtrans-89-21.8177.7-60.5-175.526.900111.8G25 I50G25-Q27 PolarHBondContact O-N 3.11Å; Q27-I50 WeakPolarHBondContact O-CA 3.12Å
28E93.8Very high92.2Very high145 Ų14570.1 Ų70.168%0.67836%0.361SS*.SBendtrans-136.1158.9-174.3-64.5178.4-172.400110.3
29F92.4Very high92.1Very high11 Ų1170.1 Ų70.15%0.04836%0.36CS..  trans-68.3124.7172.2-175.9-87.9000109.5E31 L33 L45 L53 P54 F60F29-E31 PolarHBondContact O-N 3.36Å; F29-E31 VanDerWaalsContact O-N 3.13Å; F29-L33 HydrophobicContact CE1-CB 4.1Å; F29-L33 HydrophobicContact CE1-CD1 3.86Å; F29-L33 HydrophobicContact CE2-CD1 4.13Å; F29-L33 HydrophobicContact CZ-CB 4.37Å; F29-L33 HydrophobicContact CZ-CD1 3.61Å; F29-L45 HydrophobicContact CD2-CD1 3.53Å; F29-L45 HydrophobicContact CE2-CD1 3.68Å; F29-L53 HydrophobicContact CD2-CD1 3.64Å; F29-L53 HydrophobicContact CE2-CD1 4.02Å; F29-L53 HydrophobicContact CG-CD1 4.31Å; F29-P54 HydrophobicContact CB-CG 3.77Å; F29-P54 HydrophobicContact CD1-CG 3.78Å; F29-P54 HydrophobicContact CG-CG 3.89Å; F29-F60 AromaticContact CE1-CE2 3.99Å; F29-F60 HydrophobicContact CE1-CE2 3.99Å; F29-F60 HydrophobicContact CE1-CZ 4.01Å; F29-F60 AromaticContact CZ-CE2 3.89Å; F29-F60 HydrophobicContact CZ-CE2 3.89Å; F29-F60 AromaticContact CZ-CZ 3.99Å; F29-F60 HydrophobicContact CZ-CZ 3.99Å
30P90.8Very high92.1Very high11 Ų1170.1 Ų70.17%0.07136%0.36CS..  trans-62.4116.6-174.3-21.331000112.5L6 L26 E32 L33L6-P30 HydrophobicContact CD1-CB 4.31Å; L6-P30 HydrophobicContact CD1-CG 4.46Å; L26-P30 HydrophobicContact CD1-CG 4.07Å; P30-E32 PolarHBondContact O-N 2.6Å; P30-L33 HydrophobicContact CB-CD1 4.18Å; P30-L33 HydrophobicContact CB-CG 4.14Å; P30-L33 HydrophobicContact CG-CD1 4.2Å; P30-L33 WeakPolarHBondContact O-CB 3.2Å; P30-L33 PolarHBondContact O-N 2.9Å
31E88.8Confident92.3Very high137 Ų13771.4 Ų71.464%0.6436%0.36SS*.G310 helixtrans-63.5-27.8-178.8-66.2-166.1154.800112.5F29 L33 Q34F29-E31 PolarHBondContact O-N 3.36Å; F29-E31 VanDerWaalsContact O-N 3.13Å; E31-L33 PolarHBondContact O-N 2.85Å; E31-L33 VanDerWaalsContact O-N 3.13Å; E31-Q34 VanDerWaalsContact O-CB 3.24Å; E31-Q34 WeakPolarHBondContact O-CB 3.18Å; E31-Q34 WeakPolarHBondContact O-CG 3.32Å; E31-Q34 PolarHBondContact O-N 3.43Å
32E89.3Confident92.5Very high73 Ų7372.9 Ų72.934%0.34137%0.369SS..G310 helixtrans-61.6-23.3178.8-60.982.6176.900112.6L10 P30 Q34 R35L10-E32 HydrophobicContact CD1-CB 3.65Å; L10-E32 HydrophobicContact CD1-CG 4.3Å; L10-E32 HydrophobicContact CD2-CB 4.29Å; P30-E32 PolarHBondContact O-N 2.6Å; E32-Q34 PolarHBondContact O-N 2.92Å; E32-R35 WeakPolarHBondContact O-CB 3.47Å; E32-R35 PolarHBondContact O-N 2.83Å
33L90.1Very high92.6Very high0 Ų070 Ų700%035%0.352CS..G310 helixtrans-60.8-24.6174.2-69.2175.1000112.5L10 F19 F29 P30 E31 R35 L36 L40 F60L10-L33 HydrophobicContact CD2-CD2 3.85Å; F19-L33 HydrophobicContact CB-CD2 4.09Å; F19-L33 HydrophobicContact CD1-CD1 4.1Å; F19-L33 HydrophobicContact CD1-CD2 3.72Å; F19-L33 HydrophobicContact CD2-CD2 3.34Å; F19-L33 HydrophobicContact CE1-CD1 4.08Å; F19-L33 HydrophobicContact CE1-CD2 3.92Å; F19-L33 HydrophobicContact CE1-CG 4.45Å; F19-L33 HydrophobicContact CE2-CD2 3.58Å; F19-L33 HydrophobicContact CG-CD2 3.43Å; F19-L33 VanDerWaalsContact CG-CD2 3.43Å; F19-L33 HydrophobicContact CZ-CD2 3.85Å; F19-L33 HydrophobicContact CZ-CG 4.48Å; F29-L33 HydrophobicContact CE1-CB 4.1Å; F29-L33 HydrophobicContact CE1-CD1 3.86Å; F29-L33 HydrophobicContact CE2-CD1 4.13Å; F29-L33 HydrophobicContact CZ-CB 4.37Å; F29-L33 HydrophobicContact CZ-CD1 3.61Å; P30-L33 HydrophobicContact CB-CD1 4.18Å; P30-L33 HydrophobicContact CB-CG 4.14Å; P30-L33 HydrophobicContact CG-CD1 4.2Å; P30-L33 WeakPolarHBondContact O-CB 3.2Å; P30-L33 PolarHBondContact O-N 2.9Å; E31-L33 PolarHBondContact O-N 2.85Å; E31-L33 VanDerWaalsContact O-N 3.13Å; L33-R35 PolarHBondContact O-N 2.84Å; L33-R35 VanDerWaalsContact O-N 3.08Å; L33-L36 PolarHBondContact O-N 3.45Å; L33-L40 HydrophobicContact CD2-CD1 4Å; L33-F60 HydrophobicContact CB-CE1 4.04Å; L33-F60 HydrophobicContact CB-CZ 3.79Å; L33-F60 VanDerWaalsContact O-CE1 3.24Å; L33-F60 WeakPolarHBondContact O-CE1 3.19Å
34Q89.1Confident92.9Very high78 Ų7868 Ų6836%0.36433%0.331SS..G310 helixtrans-57.1-27.9178.5-65.4-177.238.100112.4E31 E32 L36 T37E31-Q34 VanDerWaalsContact O-CB 3.24Å; E31-Q34 WeakPolarHBondContact O-CB 3.18Å; E31-Q34 WeakPolarHBondContact O-CG 3.32Å; E31-Q34 PolarHBondContact O-N 3.43Å; E32-Q34 PolarHBondContact O-N 2.92Å; Q34-L36 PolarHBondContact O-N 2.94Å; Q34-T37 WeakPolarHBondContact O-CG2 3.43Å; Q34-T37 PolarHBondContact O-N 3.13Å; Q34-T37 PolarHBondContact O-OG1 3.49Å
35R90.4Very high93.1Very high214 Ų21461.6 Ų61.681%0.80830%0.303SS*.G310 helixtrans-69.3-16.2176.2-60.1-179.2-178.7174.62.3113.6E32 L33E32-R35 WeakPolarHBondContact O-CB 3.47Å; E32-R35 PolarHBondContact O-N 2.83Å; L33-R35 PolarHBondContact O-N 2.84Å; L33-R35 VanDerWaalsContact O-N 3.08Å
36L91.5Very high93.4Very high14 Ų1460.9 Ų60.97%0.07329%0.293CS..G310 helixtrans-110.711.3-176.3-54.9-179.7000112.9L10 Q14 L33 Q34 S38 N39 L40L10-L36 HydrophobicContact CD2-CD1 3.81Å; Q14-L36 HydrophobicContact CB-CD2 3.82Å; Q14-L36 HydrophobicContact CG-CD2 3.98Å; L33-L36 PolarHBondContact O-N 3.45Å; Q34-L36 PolarHBondContact O-N 2.94Å; L36-S38 PolarHBondContact O-N 3.18Å; L36-S38 VanDerWaalsContact O-N 3.12Å; L36-N39 PolarHBondContact O-N 3.2Å; L36-L40 HydrophobicContact CB-CD1 3.66Å; L36-L40 HydrophobicContact CB-CG 3.74Å; L36-L40 HydrophobicContact CD1-CD1 4.43Å; L36-L40 WeakPolarHBondContact O-CG 3.14Å; L36-L40 PolarHBondContact O-N 2.76Å
37T91.9Very high93.6Very high37 Ų3760.7 Ų60.723%0.22730%0.3CS..THydrogen-bonded Turntrans-54.6-29.6-179.243.80000114.3Q34 N59 F60Q34-T37 WeakPolarHBondContact O-CG2 3.43Å; Q34-T37 PolarHBondContact O-N 3.13Å; Q34-T37 PolarHBondContact O-OG1 3.49Å; T37-N59 HydrophobicContact CG2-CB 3.8Å; T37-F60 HydrophobicContact CG2-CD1 3.76Å; T37-F60 HydrophobicContact CG2-CD2 4.24Å; T37-F60 HydrophobicContact CG2-CE1 3.61Å; T37-F60 HydrophobicContact CG2-CE2 4.14Å; T37-F60 HydrophobicContact CG2-CG 4.07Å; T37-F60 HydrophobicContact CG2-CZ 3.82Å
38S91.3Very high93.7Very high99 Ų9954.1 Ų54.169%0.69227%0.27SS*.THydrogen-bonded Turntrans-79.4-17.6-179.8580000114.6L36 Q62L36-S38 PolarHBondContact O-N 3.18Å; L36-S38 VanDerWaalsContact O-N 3.12Å; S38-Q62 WeakPolarHBondContact O-CG 3.28Å
39N93.3Very high93.9Very high50 Ų5052.7 Ų52.727%0.26726%0.261SS..THydrogen-bonded Turntrans-122.6-22-175.1-165.822.5000114.5Q14 G17 L36 R41Q14-N39 PolarHBondContact O-ND2 3.39Å; G17-N39 WeakPolarHBondContact CA-O 3.44Å; L36-N39 PolarHBondContact O-N 3.2Å; N39-R41 PolarHBondContact O-N 3.25Å
40L95.6Very high94.1Very high0 Ų052.2 Ų52.20%026%0.259CS..  trans-66.7123.5-176.5-75.7174.7000112.4F19 L33 L36 V43 F60 Q62 L63F19-L40 HydrophobicContact CB-CD1 4.44Å; F19-L40 HydrophobicContact CB-CD2 3.78Å; L33-L40 HydrophobicContact CD2-CD1 4Å; L36-L40 HydrophobicContact CB-CD1 3.66Å; L36-L40 HydrophobicContact CB-CG 3.74Å; L36-L40 HydrophobicContact CD1-CD1 4.43Å; L36-L40 WeakPolarHBondContact O-CG 3.14Å; L36-L40 PolarHBondContact O-N 2.76Å; L40-V43 HydrophobicContact CB-CG2 4.47Å; L40-V43 HydrophobicContact CD1-CG2 4.13Å; L40-F60 HydrophobicContact CB-CD1 4.16Å; L40-F60 HydrophobicContact CD1-CD1 3.95Å; L40-F60 HydrophobicContact CD1-CE1 3.71Å; L40-Q62 CarbonylContact O-C 3.4Å; L40-Q62 VanDerWaalsContact O-C 3.3Å; L40-L63 HydrophobicContact CB-CD1 4.49Å; L40-L63 PolarHBondContact O-N 3.35Å
41R97.6Very high94.4Very high135 Ų13556.7 Ų56.751%0.50928%0.279SS..  trans-109.9-29.5177-63.9171.4-169.6175.72.3111.5G17 N39 K64 S65G17-R41 PolarHBondContact O-N 3.22Å; N39-R41 PolarHBondContact O-N 3.25Å; R41-K64 WeakPolarHBondContact O-CA 3.36Å; R41-K64 PolarHBondContact O-N 2.74Å; R41-S65 PolarHBondContact O-N 3.04Å
42T97.9Very high94.8Very high39 Ų3956.1 Ų56.124%0.23928%0.279CS..EExtended strand (participates in β ladder)trans-134.9129.2-179.5-56.80000109.8G17 V18 F19 S65G17-T42 PolarHBondContact O-N 3Å; G17-T42 VanDerWaalsContact O-N 3.11Å; V18-T42 WeakPolarHBondContact CA-O 3.28Å; V18-T42 HydrophobicContact CG1-CG2 4.22Å; F19-T42 PolarHBondContact N-O 3.34Å; T42-S65 WeakPolarHBondContact CA-O 3.45Å
43V97.8Very high95.2Very high1 Ų152.9 Ų52.91%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-128126.2173.7172.50000108.7F19 L40 L45 L63 S65 L66 T67F19-V43 HydrophobicContact CB-CG2 4.42Å; F19-V43 CarbonylContact O-C 3.5Å; F19-V43 VanDerWaalsContact O-CA 3.32Å; F19-V43 WeakPolarHBondContact O-CA 3.12Å; L40-V43 HydrophobicContact CB-CG2 4.47Å; L40-V43 HydrophobicContact CD1-CG2 4.13Å; V43-L45 HydrophobicContact CG1-CD1 4.24Å; V43-L45 HydrophobicContact CG1-CG 3.96Å; V43-L63 HydrophobicContact CB-CD1 4.13Å; V43-L63 HydrophobicContact CG2-CD1 3.62Å; V43-S65 PolarHBondContact N-O 2.95Å; V43-L66 HydrophobicContact CB-CD1 3.96Å; V43-L66 HydrophobicContact CG1-CD1 3.91Å; V43-T67 PolarHBondContact O-N 3.32Å
44D97.9Very high95.5Very high33 Ų3354.8 Ų54.818%0.17628%0.277CS..EExtended strand (participates in β ladder)trans-126.4114.3171.9-170.7-6.1000110.5F19 Q20 L21 T22 S46 T67F19-D44 PolarHBondContact O-N 3.35Å; Q20-D44 WeakPolarHBondContact CA-O 3.43Å; Q20-D44 HydrophobicContact CB-CB 4.43Å; Q20-D44 HydrophobicContact CG-CB 3.99Å; L21-D44 PolarHBondContact N-O 2.82Å; T22-D44 HydrophobicContact CG2-CB 4.5Å; D44-S46 WeakPolarHBondContact OD1-CB 3.44Å; D44-S46 PolarHBondContact OD1-N 3.23Å; D44-S46 PolarHBondContact OD1-OG 3.3Å; D44-T67 WeakPolarHBondContact CA-O 3.18Å
45L97.1Very high95.8Very high0 Ų053.5 Ų53.50%028%0.279CS..  trans-120.232.1174.7-52.8173.1000111F19 L21 L26 F29 V43 N48 I50 T67 L68 N71F19-L45 HydrophobicContact CD1-CD2 3.89Å; F19-L45 HydrophobicContact CE1-CD2 3.5Å; F19-L45 VanDerWaalsContact CE1-CD2 3.5Å; L21-L45 HydrophobicContact CB-CD2 4.14Å; L26-L45 HydrophobicContact CD1-CD2 4.26Å; F29-L45 HydrophobicContact CD2-CD1 3.53Å; F29-L45 HydrophobicContact CE2-CD1 3.68Å; V43-L45 HydrophobicContact CG1-CD1 4.24Å; V43-L45 HydrophobicContact CG1-CG 3.96Å; L45-N48 VanDerWaalsContact C-ND2 3.33Å; L45-N48 PolarHBondContact O-ND2 2.62Å; L45-I50 HydrophobicContact CB-CD1 3.95Å; L45-I50 HydrophobicContact CD1-CD1 3.79Å; L45-I50 HydrophobicContact CG-CD1 4.48Å; L45-T67 PolarHBondContact N-O 2.96Å; L45-L68 HydrophobicContact CB-CD2 3.75Å; L45-L68 HydrophobicContact CD1-CD2 3.85Å; L45-L68 HydrophobicContact CG-CD2 4.09Å; L45-N71 PolarHBondContact O-ND2 3.02Å
46S98.1Very high96.1Very high18 Ų1844.3 Ų44.313%0.12625%0.248CC..THydrogen-bonded Turntrans-65.1149.2-175.7-580000113.7T22 A23 D44 N48 T67 N69T22-S46 CarbonylContact C-O 3.21Å; T22-S46 WeakPolarHBondContact CA-O 3.36Å; T22-S46 WeakPolarHBondContact CB-O 3.43Å; A23-S46 PolarHBondContact N-O 3.44Å; D44-S46 WeakPolarHBondContact OD1-CB 3.44Å; D44-S46 PolarHBondContact OD1-N 3.23Å; D44-S46 PolarHBondContact OD1-OG 3.3Å; S46-N48 VanDerWaalsContact C-N 3.32Å; S46-N48 PolarHBondContact O-N 3.12Å; S46-T67 WeakPolarHBondContact OG-CG2 3.44Å; S46-N69 CarbonylContact C-O 3.21Å; S46-N69 WeakPolarHBondContact CA-O 3.34Å; S46-N69 PolarHBondContact OG-N 3Å
47G97.3Very high96.3Very high34 Ų3443.7 Ų43.735%0.35125%0.245SC..THydrogen-bonded Turntrans71.323.6176.600000114.1A23 N69 S70A23-G47 VanDerWaalsContact CA-O 3.3Å; A23-G47 WeakPolarHBondContact CA-O 3.45Å; G47-N69 PolarHBondContact N-O 3.07Å; G47-S70 CarbonylContact C-O 3.54Å; G47-S70 VanDerWaalsContact CA-O 3.28Å; G47-S70 WeakPolarHBondContact CA-O 3.42Å; G47-S70 PolarHBondContact N-O 2.97Å
48N96.9Very high96.6Very high8 Ų842 Ų424%0.04323%0.234CC..SBendtrans-98.8-164174.6-73.2-62.9000110.5L21 K24 G25 L26 L45 S46 I50 S70 N71L21-N48 PolarHBondContact O-ND2 3.01Å; K24-N48 PolarHBondContact N-OD1 3.43Å; G25-N48 PolarHBondContact N-OD1 2.87Å; L26-N48 HydrophobicContact CB-CB 3.96Å; L26-N48 PolarHBondContact N-OD1 3.09Å; L45-N48 VanDerWaalsContact C-ND2 3.33Å; L45-N48 PolarHBondContact O-ND2 2.62Å; S46-N48 VanDerWaalsContact C-N 3.32Å; S46-N48 PolarHBondContact O-N 3.12Å; N48-I50 HydrophobicContact CB-CD1 4.4Å; N48-I50 HydrophobicContact CB-CG1 4.18Å; N48-S70 PolarHBondContact N-O 2.93Å; N48-N71 WeakPolarHBondContact CA-OD1 3.4Å; N48-N71 WeakPolarHBondContact CB-OD1 3.46Å; N48-N71 PolarHBondContact O-OD1 2.72Å
49K97.3Very high96.8Very high115 Ų11541.2 Ų41.250%0.522%0.222SC..  trans-122.930.1-178.5-60.6180-179.9179.20111L26 E51 N71L26-K49 CarbonylContact O-C 3.56Å; L26-K49 VanDerWaalsContact O-C 3.25Å; L26-K49 VanDerWaalsContact O-CA 3.28Å; L26-K49 WeakPolarHBondContact O-CA 3.41Å; L26-K49 PolarHBondContact O-N 2.95Å; K49-E51 PolarHBondContact O-N 2.87Å; K49-N71 PolarHBondContact N-OD1 3.32Å
50I97.1Very high97Very high1 Ų138.9 Ų38.91%0.00521%0.21CC..  trans-69.9121-176.7-57172.2000109L26 Q27 L45 N48 I52 N71 K72 L73L26-I50 HydrophobicContact CB-CG1 4.43Å; L26-I50 PolarHBondContact O-N 2.79Å; Q27-I50 WeakPolarHBondContact O-CA 3.12Å; L45-I50 HydrophobicContact CB-CD1 3.95Å; L45-I50 HydrophobicContact CD1-CD1 3.79Å; L45-I50 HydrophobicContact CG-CD1 4.48Å; N48-I50 HydrophobicContact CB-CD1 4.4Å; N48-I50 HydrophobicContact CB-CG1 4.18Å; I50-I52 WeakPolarHBondContact CG2-O 3.39Å; I50-N71 HydrophobicContact CB-CB 4.45Å; I50-N71 WeakPolarHBondContact CB-OD1 3.34Å; I50-N71 WeakPolarHBondContact CG1-OD1 3.44Å; I50-N71 PolarHBondContact N-OD1 3.23Å; I50-K72 CarbonylContact O-C 3.25Å; I50-K72 VanDerWaalsContact O-C 3.28Å; I50-K72 WeakPolarHBondContact O-CA 3.46Å; I50-K72 PolarHBondContact O-N 3.13Å; I50-L73 HydrophobicContact CG2-CD2 4.03Å; I50-L73 PolarHBondContact O-N 3.24Å
51E96.9Very high97.1Very high104 Ų10443.4 Ų43.449%0.48623%0.234SC..  trans-94.8-31.6-179.1-70.4-179.6-171.100112.3K49 K72 L73K49-E51 PolarHBondContact O-N 2.87Å; E51-K72 HydrophobicContact CG-CB 3.64Å; E51-K72 HydrophobicContact CG-CD 3.85Å; E51-K72 HydrophobicContact CG-CG 4.45Å; E51-K72 WeakPolarHBondContact OE1-CD 3.49Å; E51-K72 IonicContact OE1-NZ 3.37Å; E51-K72 PolarHBondContact OE1-NZ 3.37Å; E51-L73 WeakPolarHBondContact O-CA 3.29Å
52I96.4Very high97.1Very high125 Ų12540.5 Ų40.564%0.64123%0.226SC*.  trans-132.1131.2-177.1-58175.9000109.4I50I50-I52 WeakPolarHBondContact CG2-O 3.39Å
53L96.9Very high97.1Very high5 Ų538.7 Ų38.73%0.02621%0.214CC..  trans-90.8119167.5-17664.5000108.5F29 V57 L66 L68 L73 L76 P77 I80F29-L53 HydrophobicContact CD2-CD1 3.64Å; F29-L53 HydrophobicContact CE2-CD1 4.02Å; F29-L53 HydrophobicContact CG-CD1 4.31Å; L53-V57 HydrophobicContact CD1-CB 4.06Å; L53-V57 HydrophobicContact CD1-CG2 3.94Å; L53-V57 HydrophobicContact CD2-CB 4.28Å; L53-V57 HydrophobicContact CD2-CG1 3.98Å; L53-V57 HydrophobicContact CD2-CG2 4.07Å; L53-V57 HydrophobicContact CG-CB 4Å; L53-V57 HydrophobicContact CG-CG1 3.98Å; L53-V57 HydrophobicContact CG-CG2 4.16Å; L53-L66 HydrophobicContact CD2-CD2 4.43Å; L53-L68 HydrophobicContact CD1-CD1 3.91Å; L53-L68 HydrophobicContact CD2-CD1 3.85Å; L53-L68 HydrophobicContact CG-CD1 4.41Å; L53-L73 HydrophobicContact CB-CD2 4.03Å; L53-L76 HydrophobicContact CD2-CD2 3.95Å; L53-P77 HydrophobicContact CB-CG 4.43Å; L53-P77 HydrophobicContact CD2-CG 4.38Å; L53-P77 HydrophobicContact CG-CG 4.26Å; L53-P77 WeakPolarHBondContact O-CD 3.48Å; L53-P77 WeakPolarHBondContact O-CG 3.44Å; L53-I80 HydrophobicContact CD2-CD1 4.43Å
54P96.7Very high97.1Very high41 Ų4143 Ų4327%0.26623%0.233SC..  trans-71.6155-174.229.4-36.8000112.1F29 S56 V57F29-P54 HydrophobicContact CB-CG 3.77Å; F29-P54 HydrophobicContact CD1-CG 3.78Å; F29-P54 HydrophobicContact CG-CG 3.89Å; P54-S56 WeakPolarHBondContact CG-OG 3.35Å; P54-S56 PolarHBondContact O-N 2.86Å; P54-S56 VanDerWaalsContact O-N 3.08Å; P54-V57 WeakPolarHBondContact O-CB 3.24Å; P54-V57 VanDerWaalsContact O-CG1 3.28Å; P54-V57 WeakPolarHBondContact O-CG1 3.26Å; P54-V57 PolarHBondContact O-N 3.45Å
55A96.9Very high97.2Very high51 Ų5142.6 Ų42.642%0.42123%0.233SC..G310 helixtrans-55.8-26.3174.600000113.2V57 G58 E79A55-V57 PolarHBondContact O-N 3.29Å; A55-V57 VanDerWaalsContact O-N 3.09Å; A55-G58 PolarHBondContact O-N 3.08Å; A55-E79 HydrophobicContact CB-CG 3.93Å; A55-E79 VanDerWaalsContact O-CB 3.27Å; A55-E79 WeakPolarHBondContact O-CB 3.48Å; A55-E79 WeakPolarHBondContact O-CG 3.35Å
56S95.9Very high97.2Very high21 Ų2142.7 Ų42.715%0.14723%0.233CC..G310 helixtrans-60.5-16.2174.759.90000113.5P54 G58 N59P54-S56 WeakPolarHBondContact CG-OG 3.35Å; P54-S56 PolarHBondContact O-N 2.86Å; P54-S56 VanDerWaalsContact O-N 3.08Å; S56-G58 PolarHBondContact O-N 3.2Å; S56-G58 VanDerWaalsContact O-N 3.15Å; S56-N59 VanDerWaalsContact O-CB 3.3Å; S56-N59 WeakPolarHBondContact O-CB 3.15Å; S56-N59 PolarHBondContact O-N 2.93Å
57V96.6Very high97.3Very high1 Ų142.9 Ų42.91%0.00623%0.234CC..G310 helixtrans-57.2-27.2170.478.60000112.3L53 P54 A55 N59 F60 L66 P77 I80 L83L53-V57 HydrophobicContact CD1-CB 4.06Å; L53-V57 HydrophobicContact CD1-CG2 3.94Å; L53-V57 HydrophobicContact CD2-CB 4.28Å; L53-V57 HydrophobicContact CD2-CG1 3.98Å; L53-V57 HydrophobicContact CD2-CG2 4.07Å; L53-V57 HydrophobicContact CG-CB 4Å; L53-V57 HydrophobicContact CG-CG1 3.98Å; L53-V57 HydrophobicContact CG-CG2 4.16Å; P54-V57 WeakPolarHBondContact O-CB 3.24Å; P54-V57 VanDerWaalsContact O-CG1 3.28Å; P54-V57 WeakPolarHBondContact O-CG1 3.26Å; P54-V57 PolarHBondContact O-N 3.45Å; A55-V57 PolarHBondContact O-N 3.29Å; A55-V57 VanDerWaalsContact O-N 3.09Å; V57-N59 PolarHBondContact O-N 2.87Å; V57-F60 WeakPolarHBondContact O-CD2 3.35Å; V57-F60 PolarHBondContact O-N 3.43Å; V57-L66 HydrophobicContact CG2-CD2 4.12Å; V57-P77 HydrophobicContact CG1-CG 3.65Å; V57-I80 HydrophobicContact CG1-CD1 4.42Å; V57-L83 WeakPolarHBondContact O-CD2 3.19Å
58G96.4Very high97.3Very high1 Ų141.3 Ų41.31%0.0122%0.217CC..G310 helixtrans-68.3-10.5175.900000114.7A55 S56 L61 E79A55-G58 PolarHBondContact O-N 3.08Å; S56-G58 PolarHBondContact O-N 3.2Å; S56-G58 VanDerWaalsContact O-N 3.15Å; G58-L61 WeakPolarHBondContact O-CD2 3.24Å; G58-E79 WeakPolarHBondContact CA-O 3.03Å
59N97.1Very high97.4Very high82 Ų8242.6 Ų42.644%0.43922%0.224SC..G310 helixtrans-84.5-13.9-178.8-63.3-17.3000112.9T37 S56 V57 L61T37-N59 HydrophobicContact CG2-CB 3.8Å; S56-N59 VanDerWaalsContact O-CB 3.3Å; S56-N59 WeakPolarHBondContact O-CB 3.15Å; S56-N59 PolarHBondContact O-N 2.93Å; V57-N59 PolarHBondContact O-N 2.87Å; N59-L61 PolarHBondContact O-N 3.28Å
60F96.9Very high97.4Very high2 Ų240.4 Ų40.41%0.00922%0.224CC..  trans-80.960.8-179-60.8-90.7000111.4F29 L33 T37 L40 V57 Q62 L63 L83F29-F60 AromaticContact CE1-CE2 3.99Å; F29-F60 HydrophobicContact CE1-CE2 3.99Å; F29-F60 HydrophobicContact CE1-CZ 4.01Å; F29-F60 AromaticContact CZ-CE2 3.89Å; F29-F60 HydrophobicContact CZ-CE2 3.89Å; F29-F60 AromaticContact CZ-CZ 3.99Å; F29-F60 HydrophobicContact CZ-CZ 3.99Å; L33-F60 HydrophobicContact CB-CE1 4.04Å; L33-F60 HydrophobicContact CB-CZ 3.79Å; L33-F60 VanDerWaalsContact O-CE1 3.24Å; L33-F60 WeakPolarHBondContact O-CE1 3.19Å; T37-F60 HydrophobicContact CG2-CD1 3.76Å; T37-F60 HydrophobicContact CG2-CD2 4.24Å; T37-F60 HydrophobicContact CG2-CE1 3.61Å; T37-F60 HydrophobicContact CG2-CE2 4.14Å; T37-F60 HydrophobicContact CG2-CG 4.07Å; T37-F60 HydrophobicContact CG2-CZ 3.82Å; L40-F60 HydrophobicContact CB-CD1 4.16Å; L40-F60 HydrophobicContact CD1-CD1 3.95Å; L40-F60 HydrophobicContact CD1-CE1 3.71Å; V57-F60 WeakPolarHBondContact O-CD2 3.35Å; V57-F60 PolarHBondContact O-N 3.43Å; F60-Q62 PolarHBondContact O-N 2.87Å; F60-L63 HydrophobicContact CB-CB 4.04Å; F60-L63 HydrophobicContact CB-CD2 4.39Å; F60-L63 WeakPolarHBondContact O-CB 3.1Å; F60-L63 PolarHBondContact O-N 3.4Å; F60-L83 HydrophobicContact CB-CD2 4.34Å; F60-L83 VanDerWaalsContact O-CD2 3.24Å; F60-L83 WeakPolarHBondContact O-CD2 3.17Å
61L96.9Very high97.5Very high95 Ų9540.9 Ų40.950%0.49723%0.226SC..THydrogen-bonded Turntrans-63.2-15.1-170.2-57.7-179.7000114.8G58 N59 K82G58-L61 WeakPolarHBondContact O-CD2 3.24Å; N59-L61 PolarHBondContact O-N 3.28Å; L61-K82 HydrophobicContact CD2-CB 4.48Å
62Q97.4Very high97.6Very high73 Ų7339.6 Ų39.634%0.34122%0.219SC..THydrogen-bonded Turntrans-92-2.1175.1-56.8-54.3-38.700113.6S38 L40 F60 K64S38-Q62 WeakPolarHBondContact O-CG 3.28Å; L40-Q62 CarbonylContact O-C 3.4Å; L40-Q62 VanDerWaalsContact O-C 3.3Å; F60-Q62 PolarHBondContact O-N 2.87Å; Q62-K64 PolarHBondContact O-N 2.93Å
63L98.3Very high97.7Very high1 Ų133.7 Ų33.71%0.00519%0.188CC..  trans-68.1126.5-174.1-159.271.2000111.1L40 V43 F60 L66 L83 K85 L86L40-L63 HydrophobicContact CB-CD1 4.49Å; L40-L63 PolarHBondContact O-N 3.35Å; V43-L63 HydrophobicContact CB-CD1 4.13Å; V43-L63 HydrophobicContact CG2-CD1 3.62Å; F60-L63 HydrophobicContact CB-CB 4.04Å; F60-L63 HydrophobicContact CB-CD2 4.39Å; F60-L63 WeakPolarHBondContact O-CB 3.1Å; F60-L63 PolarHBondContact O-N 3.4Å; L63-L66 HydrophobicContact CD2-CB 3.8Å; L63-L66 HydrophobicContact CD2-CD1 4.19Å; L63-L66 HydrophobicContact CD2-CD2 4.34Å; L63-L66 HydrophobicContact CD2-CG 4.33Å; L63-L83 HydrophobicContact CD2-CD1 4.07Å; L63-K85 CarbonylContact O-C 3.44Å; L63-L86 HydrophobicContact CB-CD1 4.4Å; L63-L86 HydrophobicContact CD2-CD1 4.06Å; L63-L86 HydrophobicContact CG-CD1 4.04Å; L63-L86 WeakPolarHBondContact O-CA 3.3Å; L63-L86 PolarHBondContact O-N 2.77Å
64K98.6Very high97.7Very high92 Ų9237.4 Ų37.440%0.421%0.211SC..  trans-106.3-31.3176.2-65.2-168.2166.8-145.90112.7R41 Q62 K85 E87 T88R41-K64 WeakPolarHBondContact O-CA 3.36Å; R41-K64 PolarHBondContact O-N 2.74Å; Q62-K64 PolarHBondContact O-N 2.93Å; K64-K85 WeakPolarHBondContact CA-O 3.3Å; K64-E87 IonicContact NZ-OE1 3.4Å; K64-E87 PolarHBondContact NZ-OE1 2.96Å; K64-E87 VanDerWaalsContact NZ-OE1 3.13Å; K64-E87 WeakPolarHBondContact O-CA 3.21Å; K64-E87 PolarHBondContact O-N 3.26Å; K64-T88 PolarHBondContact O-N 2.95Å
65S98.8Very high97.7Very high25 Ų2536.5 Ų36.518%0.17521%0.21CC..EExtended strand (participates in β ladder)trans-136.3127.6179178.60000111.1R41 T42 V43 T88R41-S65 PolarHBondContact O-N 3.04Å; T42-S65 WeakPolarHBondContact CA-O 3.45Å; V43-S65 PolarHBondContact N-O 2.95Å; S65-T88 WeakPolarHBondContact CA-O 3.41Å
66L98.6Very high97.8Very high1 Ų135 Ų351%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-125.2115.7174.3-179.357.4000109.2V43 L53 V57 L63 L68 I80 L86 T88 L89 S90V43-L66 HydrophobicContact CB-CD1 3.96Å; V43-L66 HydrophobicContact CG1-CD1 3.91Å; L53-L66 HydrophobicContact CD2-CD2 4.43Å; V57-L66 HydrophobicContact CG2-CD2 4.12Å; L63-L66 HydrophobicContact CD2-CB 3.8Å; L63-L66 HydrophobicContact CD2-CD1 4.19Å; L63-L66 HydrophobicContact CD2-CD2 4.34Å; L63-L66 HydrophobicContact CD2-CG 4.33Å; L66-L68 HydrophobicContact CD1-CD1 4.14Å; L66-L68 HydrophobicContact CD1-CD2 4.15Å; L66-L68 HydrophobicContact CD1-CG 3.98Å; L66-L68 HydrophobicContact CD2-CD1 4.14Å; L66-L68 HydrophobicContact CG-CD1 4.1Å; L66-L68 HydrophobicContact CG-CG 4.14Å; L66-I80 HydrophobicContact CD2-CD1 3.96Å; L66-L86 HydrophobicContact CB-CD1 3.94Å; L66-T88 PolarHBondContact N-O 3Å; L66-L89 HydrophobicContact CB-CD1 4.12Å; L66-L89 HydrophobicContact CD2-CD1 4.01Å; L66-L89 HydrophobicContact CG-CD1 4.16Å; L66-S90 PolarHBondContact O-N 2.91Å
67T98.7Very high97.9Very high22 Ų2235 Ų3514%0.13519%0.194CC..EExtended strand (participates in β ladder)trans-118.8117.2179.8-50.20000109.4V43 D44 L45 S46 N69V43-T67 PolarHBondContact O-N 3.32Å; D44-T67 WeakPolarHBondContact CA-O 3.18Å; L45-T67 PolarHBondContact N-O 2.96Å; S46-T67 WeakPolarHBondContact OG-CG2 3.44Å; T67-N69 HydrophobicContact CG2-CB 4.45Å; T67-N69 WeakPolarHBondContact CG2-ND2 3.39Å
68L98.3Very high97.9Very high1 Ų137.4 Ų37.41%0.00521%0.214CC..  trans-129.936.5-179.5-59.4171.1000110L45 L53 L66 N71 L73 S90 L91 N94L45-L68 HydrophobicContact CB-CD2 3.75Å; L45-L68 HydrophobicContact CD1-CD2 3.85Å; L45-L68 HydrophobicContact CG-CD2 4.09Å; L53-L68 HydrophobicContact CD1-CD1 3.91Å; L53-L68 HydrophobicContact CD2-CD1 3.85Å; L53-L68 HydrophobicContact CG-CD1 4.41Å; L66-L68 HydrophobicContact CD1-CD1 4.14Å; L66-L68 HydrophobicContact CD1-CD2 4.15Å; L66-L68 HydrophobicContact CD1-CG 3.98Å; L66-L68 HydrophobicContact CD2-CD1 4.14Å; L66-L68 HydrophobicContact CG-CD1 4.1Å; L66-L68 HydrophobicContact CG-CG 4.14Å; L68-N71 PolarHBondContact O-ND2 3.14Å; L68-N71 VanDerWaalsContact O-ND2 3.16Å; L68-L73 HydrophobicContact CB-CD1 3.9Å; L68-L73 HydrophobicContact CD1-CD1 3.83Å; L68-L73 HydrophobicContact CG-CD1 4.48Å; L68-S90 PolarHBondContact N-O 3.42Å; L68-L91 HydrophobicContact CB-CD2 4.03Å; L68-L91 HydrophobicContact CD1-CD2 4.12Å; L68-N94 PolarHBondContact O-ND2 3.33Å
69N98.6Very high98Very high35 Ų3540.1 Ų40.119%0.18723%0.227CC..  trans-64.7152.4-175.7-62.9-24.4000111.3S46 G47 T67 N71 S90 L91 N92S46-N69 CarbonylContact C-O 3.21Å; S46-N69 WeakPolarHBondContact CA-O 3.34Å; S46-N69 PolarHBondContact OG-N 3Å; G47-N69 PolarHBondContact N-O 3.07Å; T67-N69 HydrophobicContact CG2-CB 4.45Å; T67-N69 WeakPolarHBondContact CG2-ND2 3.39Å; N69-N71 VanDerWaalsContact C-N 3.33Å; N69-N71 PolarHBondContact O-N 2.99Å; N69-N71 PolarHBondContact O-ND2 3.16Å; N69-N71 VanDerWaalsContact O-ND2 3.14Å; N69-S90 VanDerWaalsContact CG-OG 3.26Å; N69-S90 PolarHBondContact ND2-OG 3.01Å; N69-S90 VanDerWaalsContact ND2-OG 3.09Å; N69-S90 WeakPolarHBondContact OD1-CB 3.1Å; N69-S90 PolarHBondContact OD1-O 2.99Å; N69-S90 PolarHBondContact OD1-OG 2.91Å; N69-L91 PolarHBondContact OD1-N 3.35Å; N69-N92 CarbonylContact C-O 3.45Å; N69-N92 WeakPolarHBondContact CA-O 3.49Å; N69-N92 HydrophobicContact CB-CB 4.36Å; N69-N92 PolarHBondContact OD1-N 3.34Å
70S98.5Very high98.1Very high70 Ų7036.2 Ų36.249%0.4921%0.206SC..SBendtrans51.151.6175.3-52.20000112.3G47 N48 N92 G93G47-S70 CarbonylContact C-O 3.54Å; G47-S70 VanDerWaalsContact CA-O 3.28Å; G47-S70 WeakPolarHBondContact CA-O 3.42Å; G47-S70 PolarHBondContact N-O 2.97Å; N48-S70 PolarHBondContact N-O 2.93Å; S70-N92 PolarHBondContact N-O 2.63Å; S70-G93 VanDerWaalsContact CA-O 3.26Å; S70-G93 WeakPolarHBondContact CA-O 3.3Å
71N98.6Very high98.1Very high10 Ų1036.1 Ų36.15%0.05321%0.205CC..SBendtrans-115.6-162.2172.1-85.8-80.2000109L45 N48 K49 I50 L68 N69 L73 G93 N94L45-N71 PolarHBondContact O-ND2 3.02Å; N48-N71 WeakPolarHBondContact CA-OD1 3.4Å; N48-N71 WeakPolarHBondContact CB-OD1 3.46Å; N48-N71 PolarHBondContact O-OD1 2.72Å; K49-N71 PolarHBondContact N-OD1 3.32Å; I50-N71 HydrophobicContact CB-CB 4.45Å; I50-N71 WeakPolarHBondContact CB-OD1 3.34Å; I50-N71 WeakPolarHBondContact CG1-OD1 3.44Å; I50-N71 PolarHBondContact N-OD1 3.23Å; L68-N71 PolarHBondContact O-ND2 3.14Å; L68-N71 VanDerWaalsContact O-ND2 3.16Å; N69-N71 VanDerWaalsContact C-N 3.33Å; N69-N71 PolarHBondContact O-N 2.99Å; N69-N71 PolarHBondContact O-ND2 3.16Å; N69-N71 VanDerWaalsContact O-ND2 3.14Å; N71-L73 HydrophobicContact CB-CG 4.41Å; N71-G93 PolarHBondContact N-O 3Å; N71-N94 VanDerWaalsContact CA-OD1 3.3Å; N71-N94 WeakPolarHBondContact CA-OD1 3.24Å; N71-N94 WeakPolarHBondContact CB-OD1 3.15Å; N71-N94 PolarHBondContact N-OD1 3.34Å; N71-N94 PolarHBondContact O-OD1 2.83Å
72K98.3Very high98.1Very high78 Ų7836.6 Ų36.634%0.33920%0.203SC..  trans-119.325.7179.3-64.4-177.3174.2-172.20112.3I50 E51 T74 N94I50-K72 CarbonylContact O-C 3.25Å; I50-K72 VanDerWaalsContact O-C 3.28Å; I50-K72 WeakPolarHBondContact O-CA 3.46Å; I50-K72 PolarHBondContact O-N 3.13Å; E51-K72 HydrophobicContact CG-CB 3.64Å; E51-K72 HydrophobicContact CG-CD 3.85Å; E51-K72 HydrophobicContact CG-CG 4.45Å; E51-K72 WeakPolarHBondContact OE1-CD 3.49Å; E51-K72 IonicContact OE1-NZ 3.37Å; E51-K72 PolarHBondContact OE1-NZ 3.37Å; K72-T74 PolarHBondContact O-N 3.15Å; K72-N94 PolarHBondContact N-OD1 2.94Å
73L98.4Very high98.2Very high0 Ų033.1 Ų33.10%019%0.187CC..  trans-61.9127.2-175.8-66170.9000110.5I50 E51 L53 L68 N71 L91 N94 Q95 I96I50-L73 HydrophobicContact CG2-CD2 4.03Å; I50-L73 PolarHBondContact O-N 3.24Å; E51-L73 WeakPolarHBondContact O-CA 3.29Å; L53-L73 HydrophobicContact CB-CD2 4.03Å; L68-L73 HydrophobicContact CB-CD1 3.9Å; L68-L73 HydrophobicContact CD1-CD1 3.83Å; L68-L73 HydrophobicContact CG-CD1 4.48Å; N71-L73 HydrophobicContact CB-CG 4.41Å; L73-L91 HydrophobicContact CD1-CD2 3.79Å; L73-N94 HydrophobicContact CB-CB 4.14Å; L73-N94 WeakPolarHBondContact CB-OD1 3.15Å; L73-N94 PolarHBondContact N-OD1 3.44Å; L73-Q95 CarbonylContact O-C 3.15Å; L73-Q95 VanDerWaalsContact O-CA 3.27Å; L73-Q95 WeakPolarHBondContact O-CA 3.46Å; L73-Q95 PolarHBondContact O-N 3.18Å; L73-I96 HydrophobicContact CB-CD1 4.4Å; L73-I96 HydrophobicContact CB-CG1 4.23Å; L73-I96 WeakPolarHBondContact O-CG1 3.32Å; L73-I96 PolarHBondContact O-N 3.26Å
74T97.6Very high98.1Very high83 Ų8337.9 Ų37.951%0.50921%0.208SC..  trans-93.2-17.2174.955.50000112.7K72 Q95K72-T74 PolarHBondContact O-N 3.15Å; T74-Q95 HydrophobicContact CG2-CB 4.41Å
75G97Very high98.1Very high23 Ų2338.1 Ų38.124%0.23721%0.209CC..  trans-171.3-177179.200000112.2
76L98.1Very high98.1Very high20 Ų2036.9 Ų36.911%0.10520%0.2CC..  trans-120146.2174.7-58.5173.9000110.3L53 L89 L91 L99 P100 V103L53-L76 HydrophobicContact CD2-CD2 3.95Å; L76-L89 HydrophobicContact CD1-CD2 4.32Å; L76-L91 HydrophobicContact CD1-CD1 3.65Å; L76-L91 HydrophobicContact CD2-CD1 3.97Å; L76-L91 HydrophobicContact CD2-CD2 3.91Å; L76-L91 HydrophobicContact CG-CD1 4.23Å; L76-L99 HydrophobicContact CD1-CD2 3.96Å; L76-P100 HydrophobicContact CB-CG 3.95Å; L76-V103 HydrophobicContact CD1-CG2 4.39Å
77P97.8Very high98.1Very high21 Ų2140 Ų4014%0.13622%0.215CC..  trans-68.1151.1172.131.1-36.4000110.6L53 V57 E79 I80L53-P77 HydrophobicContact CB-CG 4.43Å; L53-P77 HydrophobicContact CD2-CG 4.38Å; L53-P77 HydrophobicContact CG-CG 4.26Å; L53-P77 WeakPolarHBondContact O-CD 3.48Å; L53-P77 WeakPolarHBondContact O-CG 3.44Å; V57-P77 HydrophobicContact CG1-CG 3.65Å; P77-E79 WeakPolarHBondContact CB-OE2 3.49Å; P77-E79 PolarHBondContact O-N 3.32Å; P77-E79 VanDerWaalsContact O-N 3.15Å; P77-I80 WeakPolarHBondContact O-CB 3.48Å; P77-I80 VanDerWaalsContact O-CG2 3.27Å; P77-I80 WeakPolarHBondContact O-CG2 3.38Å; P77-I80 PolarHBondContact O-N 3.06Å; P77-I80 VanDerWaalsContact O-N 3.12Å
78A97.9Very high98.1Very high51 Ų5141.1 Ų41.142%0.42122%0.222SC..G310 helixtrans-60.3-27.317800000112.1I80 G81 T102A78-I80 PolarHBondContact O-N 3.13Å; A78-I80 VanDerWaalsContact O-N 3.12Å; A78-G81 PolarHBondContact O-N 2.75Å; A78-T102 WeakPolarHBondContact CA-OG1 3.21Å; A78-T102 HydrophobicContact CB-CG2 4.11Å; A78-T102 WeakPolarHBondContact O-CB 3.13Å; A78-T102 PolarHBondContact O-OG1 3.16Å
79E98.3Very high98.2Very high58 Ų5841 Ų4127%0.27122%0.221SC..G310 helixtrans-62.1-16178.3-71.972.1-159.100113.8A55 G58 P77 G81 K82A55-E79 HydrophobicContact CB-CG 3.93Å; A55-E79 VanDerWaalsContact O-CB 3.27Å; A55-E79 WeakPolarHBondContact O-CB 3.48Å; A55-E79 WeakPolarHBondContact O-CG 3.35Å; G58-E79 WeakPolarHBondContact CA-O 3.03Å; P77-E79 WeakPolarHBondContact CB-OE2 3.49Å; P77-E79 PolarHBondContact O-N 3.32Å; P77-E79 VanDerWaalsContact O-N 3.15Å; E79-G81 PolarHBondContact O-N 3.21Å; E79-G81 VanDerWaalsContact O-N 3.14Å; E79-K82 HydrophobicContact CB-CD 4.39Å; E79-K82 HydrophobicContact CG-CD 4.41Å; E79-K82 VanDerWaalsContact O-CB 3.28Å; E79-K82 WeakPolarHBondContact O-CB 3.49Å; E79-K82 WeakPolarHBondContact O-CG 3.49Å; E79-K82 PolarHBondContact O-N 3.3Å
80I98.2Very high98.2Very high0 Ų040 Ų400%022%0.216CC..G310 helixtrans-53.5-35.4172.8-164.171.1000111.2L53 V57 L66 P77 A78 K82 L83 L89 P100 V103 L106L53-I80 HydrophobicContact CD2-CD1 4.43Å; V57-I80 HydrophobicContact CG1-CD1 4.42Å; L66-I80 HydrophobicContact CD2-CD1 3.96Å; P77-I80 WeakPolarHBondContact O-CB 3.48Å; P77-I80 VanDerWaalsContact O-CG2 3.27Å; P77-I80 WeakPolarHBondContact O-CG2 3.38Å; P77-I80 PolarHBondContact O-N 3.06Å; P77-I80 VanDerWaalsContact O-N 3.12Å; A78-I80 PolarHBondContact O-N 3.13Å; A78-I80 VanDerWaalsContact O-N 3.12Å; I80-K82 PolarHBondContact O-N 3.3Å; I80-L83 HydrophobicContact CD1-CD1 3.73Å; I80-L83 WeakPolarHBondContact O-CB 3.24Å; I80-L83 WeakPolarHBondContact O-CG 3.13Å; I80-L83 PolarHBondContact O-N 2.82Å; I80-L83 VanDerWaalsContact O-N 3.08Å; I80-L89 HydrophobicContact CG1-CD2 4.48Å; I80-P100 HydrophobicContact CG2-CG 3.94Å; I80-V103 HydrophobicContact CG2-CG2 4.03Å; I80-L106 VanDerWaalsContact O-CD2 3.23Å; I80-L106 WeakPolarHBondContact O-CD2 3.32Å
81G97.4Very high98.2Very high0 Ų036.6 Ų36.60%019%0.193CC..G310 helixtrans-63.2-13.6178.500000114.6A78 E79 L83 K84 T102A78-G81 PolarHBondContact O-N 2.75Å; E79-G81 PolarHBondContact O-N 3.21Å; E79-G81 VanDerWaalsContact O-N 3.14Å; G81-L83 VanDerWaalsContact C-N 3.27Å; G81-L83 PolarHBondContact O-N 3.1Å; G81-K84 WeakPolarHBondContact O-CE 3.13Å; G81-K84 PolarHBondContact O-NZ 3Å; G81-T102 VanDerWaalsContact CA-O 3.29Å; G81-T102 WeakPolarHBondContact CA-O 3.49Å
82K98.2Very high98.2Very high105 Ų10538.6 Ų38.646%0.45720%0.204SC..G310 helixtrans-72.8-19.4175-64.2179.3-179.2171.60112.7L61 E79 I80 K84L61-K82 HydrophobicContact CD2-CB 4.48Å; E79-K82 HydrophobicContact CB-CD 4.39Å; E79-K82 HydrophobicContact CG-CD 4.41Å; E79-K82 VanDerWaalsContact O-CB 3.28Å; E79-K82 WeakPolarHBondContact O-CB 3.49Å; E79-K82 WeakPolarHBondContact O-CG 3.49Å; E79-K82 PolarHBondContact O-N 3.3Å; I80-K82 PolarHBondContact O-N 3.3Å; K82-K84 PolarHBondContact O-N 2.78Å
83L98.2Very high98.2Very high0 Ų036.1 Ų36.10%020%0.2CC..  trans-77.366.6-176.2-56.9-175.4000112.4V57 F60 L63 I80 G81 K85 L86 L106V57-L83 WeakPolarHBondContact O-CD2 3.19Å; F60-L83 HydrophobicContact CB-CD2 4.34Å; F60-L83 VanDerWaalsContact O-CD2 3.24Å; F60-L83 WeakPolarHBondContact O-CD2 3.17Å; L63-L83 HydrophobicContact CD2-CD1 4.07Å; I80-L83 HydrophobicContact CD1-CD1 3.73Å; I80-L83 WeakPolarHBondContact O-CB 3.24Å; I80-L83 WeakPolarHBondContact O-CG 3.13Å; I80-L83 PolarHBondContact O-N 2.82Å; I80-L83 VanDerWaalsContact O-N 3.08Å; G81-L83 VanDerWaalsContact C-N 3.27Å; G81-L83 PolarHBondContact O-N 3.1Å; L83-K85 PolarHBondContact O-N 3.22Å; L83-L86 HydrophobicContact CB-CB 3.94Å; L83-L86 HydrophobicContact CB-CD2 4.46Å; L83-L86 HydrophobicContact CD1-CD1 4.44Å; L83-L86 HydrophobicContact CD1-CD2 4.22Å; L83-L86 VanDerWaalsContact O-CB 3.28Å; L83-L86 WeakPolarHBondContact O-CB 3.25Å; L83-L86 PolarHBondContact O-N 3.38Å; L83-L106 HydrophobicContact CB-CD2 3.99Å; L83-L106 WeakPolarHBondContact O-CD2 3.25Å
84K97.3Very high98.2Very high101 Ų10136.5 Ų36.544%0.43920%0.202SC..THydrogen-bonded Turntrans-62.7-18.4-173.1-55.6-50.4-175.8-169.80114.7G81 K82 Q105 A108G81-K84 WeakPolarHBondContact O-CE 3.13Å; G81-K84 PolarHBondContact O-NZ 3Å; K82-K84 PolarHBondContact O-N 2.78Å; K84-Q105 VanDerWaalsContact NZ-CB 3.3Å; K84-Q105 PolarHBondContact NZ-O 2.91Å; K84-A108 VanDerWaalsContact O-CB 3.3Å; K84-A108 WeakPolarHBondContact O-CB 3.17Å
85K98.3Very high98.3Very high96 Ų9636.3 Ų36.342%0.41720%0.196SC..THydrogen-bonded Turntrans-960.4178.1-62.1-170.6-178.1-173.20113.7L63 K64 L83 E87L63-K85 CarbonylContact O-C 3.44Å; K64-K85 WeakPolarHBondContact CA-O 3.3Å; L83-K85 PolarHBondContact O-N 3.22Å; K85-E87 PolarHBondContact O-N 3.47Å
86L98.8Very high98.3Very high0 Ų035.2 Ų35.20%018%0.184CC..  trans-69.7116.9-177.5-162.872.3000109.8L63 L66 L83 L89 L106 A108 L109L63-L86 HydrophobicContact CB-CD1 4.4Å; L63-L86 HydrophobicContact CD2-CD1 4.06Å; L63-L86 HydrophobicContact CG-CD1 4.04Å; L63-L86 WeakPolarHBondContact O-CA 3.3Å; L63-L86 PolarHBondContact O-N 2.77Å; L66-L86 HydrophobicContact CB-CD1 3.94Å; L83-L86 HydrophobicContact CB-CB 3.94Å; L83-L86 HydrophobicContact CB-CD2 4.46Å; L83-L86 HydrophobicContact CD1-CD1 4.44Å; L83-L86 HydrophobicContact CD1-CD2 4.22Å; L83-L86 VanDerWaalsContact O-CB 3.28Å; L83-L86 WeakPolarHBondContact O-CB 3.25Å; L83-L86 PolarHBondContact O-N 3.38Å; L86-L89 HydrophobicContact CD2-CB 3.95Å; L86-L89 HydrophobicContact CD2-CD1 4.33Å; L86-L89 HydrophobicContact CD2-CD2 4.46Å; L86-L89 HydrophobicContact CD2-CG 4.48Å; L86-L106 HydrophobicContact CB-CD2 4.27Å; L86-L106 HydrophobicContact CD2-CD1 4.22Å; L86-L106 HydrophobicContact CD2-CD2 4.3Å; L86-A108 CarbonylContact O-C 3.42Å; L86-L109 HydrophobicContact CD2-CD1 4.26Å; L86-L109 HydrophobicContact CG-CD1 4.23Å; L86-L109 VanDerWaalsContact O-CA 3.24Å; L86-L109 WeakPolarHBondContact O-CA 3.5Å; L86-L109 PolarHBondContact O-N 3.02Å; L86-L109 VanDerWaalsContact O-N 3.13Å
87E98.8Very high98.3Very high65 Ų6539.7 Ų39.730%0.30421%0.205SC..  trans-98.5-31.3179.7-65.3170.6-152.400110.8K64 K85 A108 R110 T111K64-E87 IonicContact NZ-OE1 3.4Å; K64-E87 PolarHBondContact NZ-OE1 2.96Å; K64-E87 VanDerWaalsContact NZ-OE1 3.13Å; K64-E87 WeakPolarHBondContact O-CA 3.21Å; K64-E87 PolarHBondContact O-N 3.26Å; K85-E87 PolarHBondContact O-N 3.47Å; E87-A108 WeakPolarHBondContact CA-O 3.03Å; E87-A108 HydrophobicContact CG-CB 4.45Å; E87-R110 PolarHBondContact O-N 3.08Å; E87-T111 PolarHBondContact O-N 3.34Å; E87-T111 VanDerWaalsContact O-N 3.1Å
88T98.9Very high98.3Very high46 Ų4644.2 Ų44.228%0.28223%0.227SC..EExtended strand (participates in β ladder)trans-131.1126.5179.6-59.20000111.3K64 S65 L66 T111K64-T88 PolarHBondContact O-N 2.95Å; S65-T88 WeakPolarHBondContact CA-O 3.41Å; L66-T88 PolarHBondContact N-O 3Å; T88-T111 HydrophobicContact CG2-CG2 4.46Å
89L98.8Very high98.3Very high0 Ų042.7 Ų42.70%021%0.212CC..EExtended strand (participates in β ladder)trans-124.7112.1169.8179.656.4000109L66 L76 I80 L86 L91 L106 L109 T111 L112 N113L66-L89 HydrophobicContact CB-CD1 4.12Å; L66-L89 HydrophobicContact CD2-CD1 4.01Å; L66-L89 HydrophobicContact CG-CD1 4.16Å; L76-L89 HydrophobicContact CD1-CD2 4.32Å; I80-L89 HydrophobicContact CG1-CD2 4.48Å; L86-L89 HydrophobicContact CD2-CB 3.95Å; L86-L89 HydrophobicContact CD2-CD1 4.33Å; L86-L89 HydrophobicContact CD2-CD2 4.46Å; L86-L89 HydrophobicContact CD2-CG 4.48Å; L89-L91 HydrophobicContact CD1-CD1 3.99Å; L89-L91 HydrophobicContact CD1-CD2 4.31Å; L89-L91 HydrophobicContact CD1-CG 3.98Å; L89-L91 HydrophobicContact CD2-CD1 3.94Å; L89-L91 HydrophobicContact CG-CD1 3.8Å; L89-L91 HydrophobicContact CG-CG 4.12Å; L89-L106 HydrophobicContact CD2-CD1 4.25Å; L89-L109 HydrophobicContact CB-CD1 3.86Å; L89-T111 PolarHBondContact N-O 3.19Å; L89-L112 HydrophobicContact CB-CD1 4.1Å; L89-L112 HydrophobicContact CD2-CD1 3.93Å; L89-L112 HydrophobicContact CG-CD1 4.04Å; L89-L112 WeakPolarHBondContact O-CA 3.28Å; L89-N113 PolarHBondContact O-N 2.83Å
90S98.8Very high98.2Very high12 Ų1240.6 Ų40.68%0.08420%0.203CC..EExtended strand (participates in β ladder)trans-117118.7-179.8-168.10000110.6L66 L68 N69L66-S90 PolarHBondContact O-N 2.91Å; L68-S90 PolarHBondContact N-O 3.42Å; N69-S90 VanDerWaalsContact CG-OG 3.26Å; N69-S90 PolarHBondContact ND2-OG 3.01Å; N69-S90 VanDerWaalsContact ND2-OG 3.09Å; N69-S90 WeakPolarHBondContact OD1-CB 3.1Å; N69-S90 PolarHBondContact OD1-O 2.99Å; N69-S90 PolarHBondContact OD1-OG 2.91Å
91L98.7Very high98.1Very high0 Ų046.2 Ų46.20%024%0.24CC..  trans-131.125.8-173.5-65.5164000111L68 N69 L73 L76 L89 N94 I96 N113 L114 N117L68-L91 HydrophobicContact CB-CD2 4.03Å; L68-L91 HydrophobicContact CD1-CD2 4.12Å; N69-L91 PolarHBondContact OD1-N 3.35Å; L73-L91 HydrophobicContact CD1-CD2 3.79Å; L76-L91 HydrophobicContact CD1-CD1 3.65Å; L76-L91 HydrophobicContact CD2-CD1 3.97Å; L76-L91 HydrophobicContact CD2-CD2 3.91Å; L76-L91 HydrophobicContact CG-CD1 4.23Å; L89-L91 HydrophobicContact CD1-CD1 3.99Å; L89-L91 HydrophobicContact CD1-CD2 4.31Å; L89-L91 HydrophobicContact CD1-CG 3.98Å; L89-L91 HydrophobicContact CD2-CD1 3.94Å; L89-L91 HydrophobicContact CG-CD1 3.8Å; L89-L91 HydrophobicContact CG-CG 4.12Å; L91-N94 PolarHBondContact O-ND2 2.78Å; L91-I96 HydrophobicContact CB-CD1 4.02Å; L91-I96 HydrophobicContact CD1-CD1 3.98Å; L91-I96 HydrophobicContact CD2-CD1 4.27Å; L91-I96 HydrophobicContact CG-CD1 4.33Å; L91-N113 WeakPolarHBondContact CA-O 3.32Å; L91-N113 PolarHBondContact N-O 3.29Å; L91-L114 HydrophobicContact CB-CD2 4.08Å; L91-L114 HydrophobicContact CD1-CD2 3.79Å; L91-N117 PolarHBondContact O-ND2 3.42Å
92N98.4Very high98.1Very high51 Ų5147.5 Ų47.527%0.27325%0.248SC..  trans-59140.7-176.7176.5-56.8000110.8N69 S70 N94 S115N69-N92 CarbonylContact C-O 3.45Å; N69-N92 WeakPolarHBondContact CA-O 3.49Å; N69-N92 HydrophobicContact CB-CB 4.36Å; N69-N92 PolarHBondContact OD1-N 3.34Å; S70-N92 PolarHBondContact N-O 2.63Å; N92-N94 PolarHBondContact O-ND2 2.79Å; N92-S115 CarbonylContact C-O 3.58Å; N92-S115 WeakPolarHBondContact CA-O 3.36Å; N92-S115 WeakPolarHBondContact ND2-CB 3.37Å
93G98.5Very high98Very high26 Ų2642.6 Ų42.627%0.26823%0.227SC..SBendtrans70.444.6170.100000112.3S70 N71 S115 G116S70-G93 VanDerWaalsContact CA-O 3.26Å; S70-G93 WeakPolarHBondContact CA-O 3.3Å; N71-G93 PolarHBondContact N-O 3Å; G93-S115 PolarHBondContact N-O 2.93Å; G93-G116 CarbonylContact C-O 3.5Å; G93-G116 WeakPolarHBondContact CA-O 3.41Å; G93-G116 PolarHBondContact N-O 3.27Å
94N98.8Very high98Very high9 Ų942.8 Ų42.85%0.04823%0.229CC..SBendtrans-117.9-165.5174.7-80.5-78.8000109.9L68 N71 K72 L73 L91 N92 I96 G116 N117L68-N94 PolarHBondContact O-ND2 3.33Å; N71-N94 VanDerWaalsContact CA-OD1 3.3Å; N71-N94 WeakPolarHBondContact CA-OD1 3.24Å; N71-N94 WeakPolarHBondContact CB-OD1 3.15Å; N71-N94 PolarHBondContact N-OD1 3.34Å; N71-N94 PolarHBondContact O-OD1 2.83Å; K72-N94 PolarHBondContact N-OD1 2.94Å; L73-N94 HydrophobicContact CB-CB 4.14Å; L73-N94 WeakPolarHBondContact CB-OD1 3.15Å; L73-N94 PolarHBondContact N-OD1 3.44Å; L91-N94 PolarHBondContact O-ND2 2.78Å; N92-N94 PolarHBondContact O-ND2 2.79Å; N94-I96 HydrophobicContact CB-CD1 4.29Å; N94-I96 HydrophobicContact CB-CG1 4.09Å; N94-G116 PolarHBondContact N-O 3.25Å; N94-N117 WeakPolarHBondContact CA-OD1 3.36Å; N94-N117 WeakPolarHBondContact CB-OD1 3.45Å; N94-N117 PolarHBondContact O-OD1 2.83Å
95Q98.5Very high98Very high78 Ų7842 Ų4236%0.36423%0.226SC..  trans-118.227.6-178.2-58.4-177.740.200111.3L73 T74 N117L73-Q95 CarbonylContact O-C 3.15Å; L73-Q95 VanDerWaalsContact O-CA 3.27Å; L73-Q95 WeakPolarHBondContact O-CA 3.46Å; L73-Q95 PolarHBondContact O-N 3.18Å; T74-Q95 HydrophobicContact CG2-CB 4.41Å; Q95-N117 PolarHBondContact N-OD1 3.4Å
96I98.6Very high98Very high0 Ų037.4 Ų37.40%021%0.207CC..  trans-73.4130.5-173.8-57.7174000109.6L73 L91 N94 L98 L99 N117 Q118 F119L73-I96 HydrophobicContact CB-CD1 4.4Å; L73-I96 HydrophobicContact CB-CG1 4.23Å; L73-I96 WeakPolarHBondContact O-CG1 3.32Å; L73-I96 PolarHBondContact O-N 3.26Å; L91-I96 HydrophobicContact CB-CD1 4.02Å; L91-I96 HydrophobicContact CD1-CD1 3.98Å; L91-I96 HydrophobicContact CD2-CD1 4.27Å; L91-I96 HydrophobicContact CG-CD1 4.33Å; N94-I96 HydrophobicContact CB-CD1 4.29Å; N94-I96 HydrophobicContact CB-CG1 4.09Å; I96-L98 VanDerWaalsContact CG2-O 3.27Å; I96-L98 WeakPolarHBondContact CG2-O 3.36Å; I96-L99 HydrophobicContact CG2-CD2 4.46Å; I96-N117 HydrophobicContact CB-CB 4.41Å; I96-N117 VanDerWaalsContact CB-OD1 3.32Å; I96-N117 WeakPolarHBondContact CB-OD1 3.32Å; I96-N117 WeakPolarHBondContact CG1-OD1 3.24Å; I96-N117 PolarHBondContact N-OD1 3.02Å; I96-Q118 CarbonylContact O-C 3.34Å; I96-Q118 WeakPolarHBondContact O-CA 3.3Å; I96-Q118 PolarHBondContact O-N 3.01Å; I96-F119 HydrophobicContact CB-CE2 4.13Å; I96-F119 HydrophobicContact CB-CZ 4.3Å; I96-F119 HydrophobicContact CG2-CE1 4.37Å; I96-F119 HydrophobicContact CG2-CE2 3.88Å; I96-F119 HydrophobicContact CG2-CZ 3.54Å; I96-F119 PolarHBondContact O-N 2.97Å
97Q97.8Very high97.8Very high114 Ų11442.3 Ų42.353%0.53323%0.228SC..  trans-105.3-29176.8-64.5175.323.600112.5Q118 F119Q97-Q118 HydrophobicContact CG-CB 3.81Å; Q97-F119 VanDerWaalsContact O-CD1 3.23Å; Q97-F119 WeakPolarHBondContact O-CD1 2.66Å
98L97.4Very high97.8Very high116 Ų11640.1 Ų40.161%0.60722%0.221SC*.  trans-147.5153.7-17865.695.6000111.3I96I96-L98 VanDerWaalsContact CG2-O 3.27Å; I96-L98 WeakPolarHBondContact CG2-O 3.36Å
99L97.8Very high97.8Very high20 Ų2038 Ų3811%0.10521%0.207CC..  trans-99.4145.9171.1-63.6175.3000110L76 I96 V103 L112 L114 F119 P123 L126L76-L99 HydrophobicContact CD1-CD2 3.96Å; I96-L99 HydrophobicContact CG2-CD2 4.46Å; L99-V103 HydrophobicContact CB-CG2 4.04Å; L99-V103 HydrophobicContact CD1-CG1 4.29Å; L99-V103 HydrophobicContact CD2-CG2 4.4Å; L99-L112 HydrophobicContact CD1-CD2 4.41Å; L99-L114 HydrophobicContact CD1-CD1 3.74Å; L99-L114 HydrophobicContact CD2-CD1 4.3Å; L99-L114 HydrophobicContact CD2-CD2 3.94Å; L99-L114 HydrophobicContact CG-CD1 4.39Å; L99-F119 HydrophobicContact CD2-CZ 3.97Å; L99-F119 HydrophobicContact CG-CE1 4.04Å; L99-F119 HydrophobicContact CG-CZ 3.85Å; L99-P123 HydrophobicContact CD1-CB 3.97Å; L99-L126 HydrophobicContact CD1-CD2 4.06Å
100P96.8Very high97.8Very high14 Ų1442.9 Ų42.99%0.09123%0.226CC..  trans-66.1144.8169.428-32.3000109.7L76 I80 T102 V103L76-P100 HydrophobicContact CB-CG 3.95Å; I80-P100 HydrophobicContact CG2-CG 3.94Å; P100-T102 PolarHBondContact O-N 3.48Å; P100-V103 HydrophobicContact CG-CG2 4Å; P100-V103 WeakPolarHBondContact O-CG2 3.28Å; P100-V103 PolarHBondContact O-N 2.93Å
101P95Very high97.8Very high118 Ų11844.2 Ų44.277%0.76623%0.234SC*.G310 helixtrans-55.6-23.8178.5-27.134.5000113.8V103 G104P101-V103 PolarHBondContact O-N 3.12Å; P101-G104 PolarHBondContact O-N 3.4Å
102T97.2Very high97.8Very high27 Ų2744.2 Ų44.217%0.16623%0.234CC..G310 helixtrans-68.5-12.7178.659.20000114A78 G81 P100 G104 Q105A78-T102 WeakPolarHBondContact CA-OG1 3.21Å; A78-T102 HydrophobicContact CB-CG2 4.11Å; A78-T102 WeakPolarHBondContact O-CB 3.13Å; A78-T102 PolarHBondContact O-OG1 3.16Å; G81-T102 VanDerWaalsContact CA-O 3.29Å; G81-T102 WeakPolarHBondContact CA-O 3.49Å; P100-T102 PolarHBondContact O-N 3.48Å; T102-G104 PolarHBondContact O-N 3.01Å; T102-Q105 WeakPolarHBondContact O-CB 3.39Å; T102-Q105 WeakPolarHBondContact O-CG 3.19Å; T102-Q105 PolarHBondContact O-N 3.45Å
103V97.7Very high97.8Very high2 Ų243.2 Ų43.21%0.01223%0.229CC..G310 helixtrans-56-36.7171.5168.50000111.1L76 I80 L99 P100 P101 Q105 L106 L112 L126 L129L76-V103 HydrophobicContact CD1-CG2 4.39Å; I80-V103 HydrophobicContact CG2-CG2 4.03Å; L99-V103 HydrophobicContact CB-CG2 4.04Å; L99-V103 HydrophobicContact CD1-CG1 4.29Å; L99-V103 HydrophobicContact CD2-CG2 4.4Å; P100-V103 HydrophobicContact CG-CG2 4Å; P100-V103 WeakPolarHBondContact O-CG2 3.28Å; P100-V103 PolarHBondContact O-N 2.93Å; P101-V103 PolarHBondContact O-N 3.12Å; V103-Q105 PolarHBondContact O-N 3.43Å; V103-L106 HydrophobicContact CG1-CD1 4.27Å; V103-L106 WeakPolarHBondContact O-CB 3.27Å; V103-L106 VanDerWaalsContact O-CG 3.31Å; V103-L106 WeakPolarHBondContact O-CG 3.46Å; V103-L106 PolarHBondContact O-N 3.36Å; V103-L106 VanDerWaalsContact O-N 3.07Å; V103-L112 HydrophobicContact CG1-CD2 4.44Å; V103-L126 HydrophobicContact CG1-CD2 3.75Å; V103-L129 WeakPolarHBondContact O-CD2 3.08Å
104G96.4Very high97.8Very high4 Ų442 Ų424%0.04122%0.216CC..G310 helixtrans-60.1-13.817500000114.4P101 T102 L106 K107 G125 T128P101-G104 PolarHBondContact O-N 3.4Å; T102-G104 PolarHBondContact O-N 3.01Å; G104-L106 VanDerWaalsContact C-N 3.32Å; G104-K107 PolarHBondContact O-NZ 3.27Å; G104-G125 WeakPolarHBondContact CA-O 3.36Å; G104-T128 VanDerWaalsContact C-OG1 3.26Å; G104-T128 WeakPolarHBondContact CA-OG1 3.43Å; G104-T128 PolarHBondContact O-OG1 2.94Å
105Q97.8Very high97.9Very high84 Ų8441.8 Ų41.839%0.39322%0.215SC..G310 helixtrans-83.5-5.1177.9-51-178.25.200114.2K84 T102 V103 K107K84-Q105 VanDerWaalsContact NZ-CB 3.3Å; K84-Q105 PolarHBondContact NZ-O 2.91Å; T102-Q105 WeakPolarHBondContact O-CB 3.39Å; T102-Q105 WeakPolarHBondContact O-CG 3.19Å; T102-Q105 PolarHBondContact O-N 3.45Å; V103-Q105 PolarHBondContact O-N 3.43Å; Q105-K107 VanDerWaalsContact C-N 3.29Å; Q105-K107 PolarHBondContact O-N 2.96Å
106L98.2Very high97.9Very high0 Ų039.1 Ų39.10%021%0.208CC..  trans-77.271.7178.2-61.2175000111.2I80 L83 L86 L89 V103 G104 A108 L109 L129I80-L106 VanDerWaalsContact O-CD2 3.23Å; I80-L106 WeakPolarHBondContact O-CD2 3.32Å; L83-L106 HydrophobicContact CB-CD2 3.99Å; L83-L106 WeakPolarHBondContact O-CD2 3.25Å; L86-L106 HydrophobicContact CB-CD2 4.27Å; L86-L106 HydrophobicContact CD2-CD1 4.22Å; L86-L106 HydrophobicContact CD2-CD2 4.3Å; L89-L106 HydrophobicContact CD2-CD1 4.25Å; V103-L106 HydrophobicContact CG1-CD1 4.27Å; V103-L106 WeakPolarHBondContact O-CB 3.27Å; V103-L106 VanDerWaalsContact O-CG 3.31Å; V103-L106 WeakPolarHBondContact O-CG 3.46Å; V103-L106 PolarHBondContact O-N 3.36Å; V103-L106 VanDerWaalsContact O-N 3.07Å; G104-L106 VanDerWaalsContact C-N 3.32Å; L106-A108 PolarHBondContact O-N 3.21Å; L106-A108 VanDerWaalsContact O-N 3.14Å; L106-L109 HydrophobicContact CB-CB 3.92Å; L106-L109 HydrophobicContact CB-CD2 4.35Å; L106-L109 HydrophobicContact CD1-CD1 4.44Å; L106-L109 HydrophobicContact CD1-CD2 4.02Å; L106-L109 VanDerWaalsContact O-CB 3.26Å; L106-L109 WeakPolarHBondContact O-CB 3.28Å; L106-L109 PolarHBondContact O-N 2.95Å; L106-L129 HydrophobicContact CB-CD2 4.12Å; L106-L129 VanDerWaalsContact O-CD2 3.3Å; L106-L129 WeakPolarHBondContact O-CD2 3.44Å
107K95.7Very high97.9Very high103 Ų10339.6 Ų39.645%0.44821%0.211SC..THydrogen-bonded Turntrans-65.1-19.9-169.2-59.7-48.1-173.8-168.50115.6G104 Q105 T128G104-K107 PolarHBondContact O-NZ 3.27Å; Q105-K107 VanDerWaalsContact C-N 3.29Å; Q105-K107 PolarHBondContact O-N 2.96Å; K107-T128 PolarHBondContact NZ-O 2.97Å; K107-T128 PolarHBondContact NZ-OG1 2.88Å
108A98.4Very high97.9Very high19 Ų1936.3 Ų36.316%0.15720%0.196CC..THydrogen-bonded Turntrans-92-1.5176.200000113.7K84 L86 E87 L106 R110K84-A108 VanDerWaalsContact O-CB 3.3Å; K84-A108 WeakPolarHBondContact O-CB 3.17Å; L86-A108 CarbonylContact O-C 3.42Å; E87-A108 WeakPolarHBondContact CA-O 3.03Å; E87-A108 HydrophobicContact CG-CB 4.45Å; L106-A108 PolarHBondContact O-N 3.21Å; L106-A108 VanDerWaalsContact O-N 3.14Å; A108-R110 PolarHBondContact O-N 3.08Å
109L98.8Very high98Very high0 Ų031 Ų310%017%0.167CC..  trans-69.1123.4-171.2-162.271.7000111L86 L89 L106 L112 L129 Q131 L132L86-L109 HydrophobicContact CD2-CD1 4.26Å; L86-L109 HydrophobicContact CG-CD1 4.23Å; L86-L109 VanDerWaalsContact O-CA 3.24Å; L86-L109 WeakPolarHBondContact O-CA 3.5Å; L86-L109 PolarHBondContact O-N 3.02Å; L86-L109 VanDerWaalsContact O-N 3.13Å; L89-L109 HydrophobicContact CB-CD1 3.86Å; L106-L109 HydrophobicContact CB-CB 3.92Å; L106-L109 HydrophobicContact CB-CD2 4.35Å; L106-L109 HydrophobicContact CD1-CD1 4.44Å; L106-L109 HydrophobicContact CD1-CD2 4.02Å; L106-L109 VanDerWaalsContact O-CB 3.26Å; L106-L109 WeakPolarHBondContact O-CB 3.28Å; L106-L109 PolarHBondContact O-N 2.95Å; L109-L112 HydrophobicContact CD2-CB 3.98Å; L109-L112 HydrophobicContact CD2-CD1 4.43Å; L109-L112 HydrophobicContact CD2-CD2 4.36Å; L109-L112 HydrophobicContact CD2-CG 4.5Å; L109-L129 HydrophobicContact CB-CD2 4.45Å; L109-L129 HydrophobicContact CD2-CD1 4.11Å; L109-Q131 CarbonylContact O-C 3.4Å; L109-L132 HydrophobicContact CD2-CD1 4.41Å; L109-L132 HydrophobicContact CG-CD1 4.42Å; L109-L132 WeakPolarHBondContact O-CA 3.4Å; L109-L132 PolarHBondContact O-N 3.09Å; L109-L132 VanDerWaalsContact O-N 3.17Å
110R98.8Very high98Very high103 Ų10333.5 Ų33.539%0.38918%0.184SC..  trans-106.4-36.6178.1-64.4-178.9175.5-80-2.6112.3E87 A108 Q131 D133 L134E87-R110 PolarHBondContact O-N 3.08Å; A108-R110 PolarHBondContact O-N 3.08Å; R110-Q131 WeakPolarHBondContact CA-O 3.26Å; R110-D133 IonicContact NH1-OD2 3.46Å; R110-D133 PolarHBondContact NH1-OD2 3.21Å; R110-D133 VanDerWaalsContact NH1-OD2 3.17Å; R110-D133 PolarHBondContact O-N 3.29Å; R110-L134 PolarHBondContact O-N 3.06Å
111T98.9Very high98Very high41 Ų4139.9 Ų39.925%0.25221%0.212SC..EExtended strand (participates in β ladder)trans-126.5123.1-179-60.50000110.3E87 T88 L89 L134E87-T111 PolarHBondContact O-N 3.34Å; E87-T111 VanDerWaalsContact O-N 3.1Å; T88-T111 HydrophobicContact CG2-CG2 4.46Å; L89-T111 PolarHBondContact N-O 3.19Å; T111-L134 HydrophobicContact CG2-CB 4.48Å; T111-L134 HydrophobicContact CG2-CD2 4.16Å
112L98.9Very high98.1Very high0 Ų035.2 Ų35.20%018%0.18CC..EExtended strand (participates in β ladder)trans-121.6107.7170.8179.853.5000109L89 L99 V103 L109 L114 L126 L132 L134 L135 D136L89-L112 HydrophobicContact CB-CD1 4.1Å; L89-L112 HydrophobicContact CD2-CD1 3.93Å; L89-L112 HydrophobicContact CG-CD1 4.04Å; L89-L112 WeakPolarHBondContact O-CA 3.28Å; L99-L112 HydrophobicContact CD1-CD2 4.41Å; V103-L112 HydrophobicContact CG1-CD2 4.44Å; L109-L112 HydrophobicContact CD2-CB 3.98Å; L109-L112 HydrophobicContact CD2-CD1 4.43Å; L109-L112 HydrophobicContact CD2-CD2 4.36Å; L109-L112 HydrophobicContact CD2-CG 4.5Å; L112-L114 HydrophobicContact CD1-CD1 4.1Å; L112-L114 HydrophobicContact CD1-CD2 4.27Å; L112-L114 HydrophobicContact CD1-CG 3.97Å; L112-L114 HydrophobicContact CD2-CD1 3.93Å; L112-L114 HydrophobicContact CG-CD1 3.83Å; L112-L114 HydrophobicContact CG-CG 4.04Å; L112-L126 HydrophobicContact CD2-CD1 4.26Å; L112-L126 HydrophobicContact CD2-CD2 3.97Å; L112-L132 HydrophobicContact CB-CD1 4.03Å; L112-L134 PolarHBondContact N-O 2.93Å; L112-L135 HydrophobicContact CB-CD1 4.17Å; L112-L135 HydrophobicContact CD2-CD1 3.94Å; L112-L135 HydrophobicContact CG-CD1 4.02Å; L112-D136 PolarHBondContact O-N 2.99Å
113N98.9Very high98.1Very high30 Ų3034.5 Ų34.516%0.1618%0.176CC..EExtended strand (participates in β ladder)trans-106112.5177.2-172.2-20000110.4L89 L91 S115 D136L89-N113 PolarHBondContact O-N 2.83Å; L91-N113 WeakPolarHBondContact CA-O 3.32Å; L91-N113 PolarHBondContact N-O 3.29Å; N113-S115 VanDerWaalsContact OD1-CB 3.28Å; N113-S115 WeakPolarHBondContact OD1-CB 3.45Å; N113-S115 PolarHBondContact OD1-N 3.37Å; N113-D136 HydrophobicContact CB-CB 4.5Å
114L98.8Very high97.7Very high0 Ų038.7 Ų38.70%021%0.211CC..  trans-120.718.1178.9-65.4165.5000111.2L91 L99 L112 N117 F119 D136 L137 N140L91-L114 HydrophobicContact CB-CD2 4.08Å; L91-L114 HydrophobicContact CD1-CD2 3.79Å; L99-L114 HydrophobicContact CD1-CD1 3.74Å; L99-L114 HydrophobicContact CD2-CD1 4.3Å; L99-L114 HydrophobicContact CD2-CD2 3.94Å; L99-L114 HydrophobicContact CG-CD1 4.39Å; L112-L114 HydrophobicContact CD1-CD1 4.1Å; L112-L114 HydrophobicContact CD1-CD2 4.27Å; L112-L114 HydrophobicContact CD1-CG 3.97Å; L112-L114 HydrophobicContact CD2-CD1 3.93Å; L112-L114 HydrophobicContact CG-CD1 3.83Å; L112-L114 HydrophobicContact CG-CG 4.04Å; L114-N117 VanDerWaalsContact C-ND2 3.35Å; L114-N117 WeakPolarHBondContact O-CB 3.43Å; L114-N117 PolarHBondContact O-ND2 2.91Å; L114-F119 HydrophobicContact CB-CE2 4.03Å; L114-F119 HydrophobicContact CD1-CE2 4.24Å; L114-F119 HydrophobicContact CD1-CZ 4.16Å; L114-F119 HydrophobicContact CD2-CE2 4.03Å; L114-F119 HydrophobicContact CD2-CZ 4.18Å; L114-F119 HydrophobicContact CG-CE2 4.33Å; L114-D136 CarbonylContact C-O 3.45Å; L114-D136 WeakPolarHBondContact CA-O 3.39Å; L114-D136 WeakPolarHBondContact CB-O 3.23Å; L114-D136 PolarHBondContact N-O 2.94Å; L114-L137 HydrophobicContact CB-CD2 3.88Å; L114-L137 HydrophobicContact CD1-CD2 3.88Å; L114-N140 PolarHBondContact O-ND2 3.33Å
115S98.9Very high97.3Very high5 Ų540.4 Ų40.44%0.03523%0.228CC..  trans-61.7143.3-178.7175.20000111.6N92 G93 N113 N117 D136 S138N92-S115 CarbonylContact C-O 3.58Å; N92-S115 WeakPolarHBondContact CA-O 3.36Å; N92-S115 WeakPolarHBondContact ND2-CB 3.37Å; G93-S115 PolarHBondContact N-O 2.93Å; N113-S115 VanDerWaalsContact OD1-CB 3.28Å; N113-S115 WeakPolarHBondContact OD1-CB 3.45Å; N113-S115 PolarHBondContact OD1-N 3.37Å; S115-N117 PolarHBondContact O-ND2 3.21Å; S115-D136 PolarHBondContact N-O 2.79Å; S115-S138 CarbonylContact C-O 3.54Å; S115-S138 WeakPolarHBondContact CA-O 3.25Å; S115-S138 VanDerWaalsContact CB-OG 3.3Å; S115-S138 WeakPolarHBondContact CB-OG 3.4Å; S115-S138 PolarHBondContact OG-O 2.99Å; S115-S138 PolarHBondContact OG-OG 2.81Å
116G98.8Very high97.3Very high21 Ų2136.5 Ų36.522%0.21621%0.21CC..SBendtrans68.744.8176.900000113G93 N94 S138 R139G93-G116 CarbonylContact C-O 3.5Å; G93-G116 WeakPolarHBondContact CA-O 3.41Å; G93-G116 PolarHBondContact N-O 3.27Å; N94-G116 PolarHBondContact N-O 3.25Å; G116-S138 PolarHBondContact N-O 2.83Å; G116-R139 WeakPolarHBondContact CA-O 3.1Å; G116-R139 PolarHBondContact N-O 2.95Å
117N98.9Very high97.1Very high10 Ų1036.9 Ų36.95%0.05321%0.214CC..SBendtrans-117.9-160.5175.6-84.3-78.2000110.3L91 N94 Q95 I96 L114 S115 F119 R139 N140L91-N117 PolarHBondContact O-ND2 3.42Å; N94-N117 WeakPolarHBondContact CA-OD1 3.36Å; N94-N117 WeakPolarHBondContact CB-OD1 3.45Å; N94-N117 PolarHBondContact O-OD1 2.83Å; Q95-N117 PolarHBondContact N-OD1 3.4Å; I96-N117 HydrophobicContact CB-CB 4.41Å; I96-N117 VanDerWaalsContact CB-OD1 3.32Å; I96-N117 WeakPolarHBondContact CB-OD1 3.32Å; I96-N117 WeakPolarHBondContact CG1-OD1 3.24Å; I96-N117 PolarHBondContact N-OD1 3.02Å; L114-N117 VanDerWaalsContact C-ND2 3.35Å; L114-N117 WeakPolarHBondContact O-CB 3.43Å; L114-N117 PolarHBondContact O-ND2 2.91Å; S115-N117 PolarHBondContact O-ND2 3.21Å; N117-F119 HydrophobicContact CB-CD2 3.75Å; N117-F119 HydrophobicContact CB-CE2 3.89Å; N117-R139 PolarHBondContact N-O 2.97Å; N117-N140 WeakPolarHBondContact CA-OD1 3.37Å; N117-N140 WeakPolarHBondContact CB-OD1 3.35Å; N117-N140 PolarHBondContact N-OD1 3.08Å; N117-N140 PolarHBondContact O-OD1 3.48Å
118Q98.4Very high97.1Very high46 Ų4634.8 Ų34.822%0.21521%0.21CC..  trans-119.326.8-176.2-61179.51500112.2I96 Q97 T120 N140I96-Q118 CarbonylContact O-C 3.34Å; I96-Q118 WeakPolarHBondContact O-CA 3.3Å; I96-Q118 PolarHBondContact O-N 3.01Å; Q97-Q118 HydrophobicContact CG-CB 3.81Å; Q118-T120 PolarHBondContact O-N 3.17Å; Q118-N140 PolarHBondContact N-OD1 3.08Å
119F98.6Very high97.1Very high3 Ų334 Ų341%0.01320%0.203CC..  trans-64.5121.6177-72-86.5000110.4I96 Q97 L99 L114 N117 P123 L137 N140 R141 I142I96-F119 HydrophobicContact CB-CE2 4.13Å; I96-F119 HydrophobicContact CB-CZ 4.3Å; I96-F119 HydrophobicContact CG2-CE1 4.37Å; I96-F119 HydrophobicContact CG2-CE2 3.88Å; I96-F119 HydrophobicContact CG2-CZ 3.54Å; I96-F119 PolarHBondContact O-N 2.97Å; Q97-F119 VanDerWaalsContact O-CD1 3.23Å; Q97-F119 WeakPolarHBondContact O-CD1 2.66Å; L99-F119 HydrophobicContact CD2-CZ 3.97Å; L99-F119 HydrophobicContact CG-CE1 4.04Å; L99-F119 HydrophobicContact CG-CZ 3.85Å; L114-F119 HydrophobicContact CB-CE2 4.03Å; L114-F119 HydrophobicContact CD1-CE2 4.24Å; L114-F119 HydrophobicContact CD1-CZ 4.16Å; L114-F119 HydrophobicContact CD2-CE2 4.03Å; L114-F119 HydrophobicContact CD2-CZ 4.18Å; L114-F119 HydrophobicContact CG-CE2 4.33Å; N117-F119 HydrophobicContact CB-CD2 3.75Å; N117-F119 HydrophobicContact CB-CE2 3.89Å; F119-P123 HydrophobicContact CE1-CB 4.34Å; F119-L137 HydrophobicContact CD2-CD2 4.46Å; F119-N140 HydrophobicContact CB-CB 4.21Å; F119-N140 WeakPolarHBondContact CD2-OD1 3.17Å; F119-N140 PolarHBondContact N-OD1 2.95Å; F119-N140 VanDerWaalsContact N-OD1 3.1Å; F119-R141 CarbonylContact O-C 3.47Å; F119-R141 VanDerWaalsContact O-CA 3.3Å; F119-R141 WeakPolarHBondContact O-CA 3.43Å; F119-R141 PolarHBondContact O-N 2.8Å; F119-I142 HydrophobicContact CB-CD1 4.31Å; F119-I142 HydrophobicContact CB-CG1 4.05Å; F119-I142 PolarHBondContact O-N 2.82Å
120T98.1Very high96.9Very high73 Ų7341.8 Ų41.845%0.44823%0.232SC..SBendtrans-95.9-21.5172.453.80000112.4Q118 R141 I142 Q143Q118-T120 PolarHBondContact O-N 3.17Å; T120-R141 WeakPolarHBondContact CA-O 3.47Å; T120-R141 HydrophobicContact CG2-CB 4.3Å; T120-I142 WeakPolarHBondContact O-CA 3.47Å; T120-Q143 PolarHBondContact O-N 3.06Å
121E97.7Very high96.8Very high148 Ų14840.9 Ų40.969%0.69223%0.232SC*.SBendtrans-122.9155.4178.9-64-175.4168.700110.4
122F97.6Very high96.8Very high21 Ų2139 Ų399%0.09222%0.22CC..PPolyproline II helixtrans-66.6128.4172.4-164.7-79.5000110A124 L135 L137 V145 P146 V149 L152 L159F122-A124 PolarHBondContact O-N 3.12Å; F122-L135 HydrophobicContact CZ-CD2 4.01Å; F122-L137 HydrophobicContact CD2-CD1 4.24Å; F122-L137 HydrophobicContact CE2-CD1 3.82Å; F122-L137 HydrophobicContact CZ-CD1 4.04Å; F122-V145 HydrophobicContact CD2-CG1 4.4Å; F122-V145 HydrophobicContact CE2-CG1 4.48Å; F122-P146 HydrophobicContact CB-CG 3.88Å; F122-P146 HydrophobicContact CD1-CG 4.49Å; F122-P146 HydrophobicContact CG-CG 4.32Å; F122-V149 HydrophobicContact CE2-CG2 4.47Å; F122-V149 HydrophobicContact CZ-CG2 4.12Å; F122-L152 HydrophobicContact CE1-CD1 3.84Å; F122-L152 HydrophobicContact CZ-CD1 3.6Å; F122-L159 HydrophobicContact CD2-CD2 4.33Å; F122-L159 HydrophobicContact CE2-CD1 4.32Å; F122-L159 HydrophobicContact CE2-CD2 4.14Å
123P95.6Very high96.8Very high12 Ų1240.9 Ų40.98%0.07823%0.231CC..PPolyproline II helixtrans-64.8127.7-174.824.6-34.4000112.8L99 F119 L126 L137L99-P123 HydrophobicContact CD1-CB 3.97Å; F119-P123 HydrophobicContact CE1-CB 4.34Å; P123-L126 HydrophobicContact CB-CD1 4.07Å; P123-L126 HydrophobicContact CB-CG 4.43Å; P123-L126 HydrophobicContact CG-CD1 3.64Å; P123-L126 HydrophobicContact CG-CG 4.49Å; P123-L137 HydrophobicContact CG-CD1 3.88Å; P123-L137 HydrophobicContact CG-CD2 3.95Å
124A89.3Confident96.8Very high90 Ų9041.9 Ų41.974%0.74424%0.236SC*.SBendtrans-80.2162.6176.100000112.9F122 L126F122-A124 PolarHBondContact O-N 3.12Å; A124-L126 VanDerWaalsContact C-N 3.3Å; A124-L126 PolarHBondContact O-N 3Å
125G89.6Confident96.8Very high39 Ų3941.9 Ų41.940%0.40224%0.236SC..SBendtrans81.10.7172.800000115.9G104 T128G104-G125 WeakPolarHBondContact CA-O 3.36Å; G125-T128 PolarHBondContact O-OG1 3Å
126L96.4Very high96.8Very high3 Ų342.7 Ų42.72%0.01624%0.24CC..G310 helixtrans-78.2-15.5178.7-59.9-172.5000113.8L99 V103 L112 P123 A124 T128 L129 L135 L152L99-L126 HydrophobicContact CD1-CD2 4.06Å; V103-L126 HydrophobicContact CG1-CD2 3.75Å; L112-L126 HydrophobicContact CD2-CD1 4.26Å; L112-L126 HydrophobicContact CD2-CD2 3.97Å; P123-L126 HydrophobicContact CB-CD1 4.07Å; P123-L126 HydrophobicContact CB-CG 4.43Å; P123-L126 HydrophobicContact CG-CD1 3.64Å; P123-L126 HydrophobicContact CG-CG 4.49Å; A124-L126 VanDerWaalsContact C-N 3.3Å; A124-L126 PolarHBondContact O-N 3Å; L126-T128 PolarHBondContact O-N 2.88Å; L126-L129 HydrophobicContact CB-CD1 4.31Å; L126-L129 HydrophobicContact CD2-CD1 3.8Å; L126-L129 WeakPolarHBondContact O-CB 3.4Å; L126-L129 WeakPolarHBondContact O-CG 3.39Å; L126-L129 PolarHBondContact O-N 2.97Å; L126-L135 HydrophobicContact CD1-CD1 4.04Å; L126-L135 HydrophobicContact CD1-CD2 3.86Å; L126-L152 HydrophobicContact CB-CD2 3.47Å; L126-L152 VanDerWaalsContact CB-CD2 3.47Å
127G94.5Very high96.8Very high8 Ų841.7 Ų41.78%0.08223%0.229CC..G310 helixtrans-60-18.5179.700000114.6L129 E151G127-L129 VanDerWaalsContact C-N 3.34Å; G127-E151 WeakPolarHBondContact CA-O 3.31Å
128T95.8Very high96.8Very high59 Ų5941.5 Ų41.536%0.36223%0.229SC..G310 helixtrans-85.7-4.1179.8690000114.1G104 K107 G125 L126 R130G104-T128 VanDerWaalsContact C-OG1 3.26Å; G104-T128 WeakPolarHBondContact CA-OG1 3.43Å; G104-T128 PolarHBondContact O-OG1 2.94Å; K107-T128 PolarHBondContact NZ-O 2.97Å; K107-T128 PolarHBondContact NZ-OG1 2.88Å; G125-T128 PolarHBondContact O-OG1 3Å; L126-T128 PolarHBondContact O-N 2.88Å; T128-R130 PolarHBondContact O-N 3.25Å
129L97.4Very high96.8Very high1 Ų146.6 Ų46.61%0.00525%0.246CC..  trans-84.880179.1-60.2179.2000111.1V103 L106 L109 L126 G127 Q131 L132V103-L129 WeakPolarHBondContact O-CD2 3.08Å; L106-L129 HydrophobicContact CB-CD2 4.12Å; L106-L129 VanDerWaalsContact O-CD2 3.3Å; L106-L129 WeakPolarHBondContact O-CD2 3.44Å; L109-L129 HydrophobicContact CB-CD2 4.45Å; L109-L129 HydrophobicContact CD2-CD1 4.11Å; L126-L129 HydrophobicContact CB-CD1 4.31Å; L126-L129 HydrophobicContact CD2-CD1 3.8Å; L126-L129 WeakPolarHBondContact O-CB 3.4Å; L126-L129 WeakPolarHBondContact O-CG 3.39Å; L126-L129 PolarHBondContact O-N 2.97Å; G127-L129 VanDerWaalsContact C-N 3.34Å; L129-Q131 VanDerWaalsContact C-N 3.26Å; L129-Q131 PolarHBondContact O-N 2.79Å; L129-L132 HydrophobicContact CB-CB 4.05Å; L129-L132 HydrophobicContact CB-CD2 4.45Å; L129-L132 HydrophobicContact CD1-CD1 4.48Å; L129-L132 HydrophobicContact CD1-CD2 4.15Å; L129-L132 WeakPolarHBondContact O-CB 3.33Å; L129-L132 PolarHBondContact O-N 3.17Å
130R95.3Very high96.8Very high165 Ų16547 Ų4762%0.62325%0.249SC*.THydrogen-bonded Turntrans-67.1-19.9-172-59.1-59.1-168.7160.1-1.8115.4T128T128-R130 PolarHBondContact O-N 3.25Å
131Q97.6Very high96.9Very high84 Ų8449.5 Ų49.539%0.39325%0.25SC..THydrogen-bonded Turntrans-103.15.9-179-62.9-166.6-12.800113.3L109 R110 L129 D133L109-Q131 CarbonylContact O-C 3.4Å; R110-Q131 WeakPolarHBondContact CA-O 3.26Å; L129-Q131 VanDerWaalsContact C-N 3.26Å; L129-Q131 PolarHBondContact O-N 2.79Å; Q131-D133 PolarHBondContact O-N 3.13Å
132L98.4Very high96.9Very high0 Ų042.4 Ų42.40%022%0.217CC..  trans-65125.4-177.9-164.366000109L109 L112 L129 L135 Q153 A154 R176L109-L132 HydrophobicContact CD2-CD1 4.41Å; L109-L132 HydrophobicContact CG-CD1 4.42Å; L109-L132 WeakPolarHBondContact O-CA 3.4Å; L109-L132 PolarHBondContact O-N 3.09Å; L109-L132 VanDerWaalsContact O-N 3.17Å; L112-L132 HydrophobicContact CB-CD1 4.03Å; L129-L132 HydrophobicContact CB-CB 4.05Å; L129-L132 HydrophobicContact CB-CD2 4.45Å; L129-L132 HydrophobicContact CD1-CD1 4.48Å; L129-L132 HydrophobicContact CD1-CD2 4.15Å; L129-L132 WeakPolarHBondContact O-CB 3.33Å; L129-L132 PolarHBondContact O-N 3.17Å; L132-L135 HydrophobicContact CD2-CB 4.13Å; L132-Q153 CarbonylContact O-C 3.09Å; L132-A154 HydrophobicContact CD2-CB 4.23Å; L132-A154 HydrophobicContact CG-CB 4.41Å; L132-A154 WeakPolarHBondContact O-CA 3.06Å; L132-R176 PolarHBondContact O-NH1 3.27Å
133D98.4Very high96.9Very high40 Ų4046.6 Ų46.621%0.21424%0.236CC..  trans-105.2-42.8177.1-64.8-37.3000108.8R110 Q131 I155 E156 R176R110-D133 IonicContact NH1-OD2 3.46Å; R110-D133 PolarHBondContact NH1-OD2 3.21Å; R110-D133 VanDerWaalsContact NH1-OD2 3.17Å; R110-D133 PolarHBondContact O-N 3.29Å; Q131-D133 PolarHBondContact O-N 3.13Å; D133-I155 HydrophobicContact CB-CD1 4.13Å; D133-I155 WeakPolarHBondContact O-CA 3.27Å; D133-I155 WeakPolarHBondContact O-CB 3.39Å; D133-I155 PolarHBondContact O-N 3.03Å; D133-I155 WeakPolarHBondContact OD1-CD1 3.38Å; D133-E156 PolarHBondContact O-N 3.12Å; D133-R176 IonicContact OD1-CZ 3.52Å; D133-R176 IonicContact OD1-NH1 3.04Å; D133-R176 IonicContact OD1-NH2 2.77Å; D133-R176 PolarHBondContact OD1-NH2 3Å
134L98.8Very high97.1Very high51 Ų5148.4 Ų48.427%0.26725%0.249SC..EExtended strand (participates in β ladder)trans-126.8126.8-180176.862.7000112.5R110 T111 L112 E156R110-L134 PolarHBondContact O-N 3.06Å; T111-L134 HydrophobicContact CG2-CB 4.48Å; T111-L134 HydrophobicContact CG2-CD2 4.16Å; L112-L134 PolarHBondContact N-O 2.93Å; L134-E156 HydrophobicContact CD1-CB 3.85Å; L134-E156 HydrophobicContact CD1-CG 3.64Å
135L98.8Very high97.5Very high0 Ų044.2 Ų44.20%022%0.215CC..EExtended strand (participates in β ladder)trans-116.3111.916517757.8000109.5L112 F122 L126 L132 L137 L152 E156 I157 N158L112-L135 HydrophobicContact CB-CD1 4.17Å; L112-L135 HydrophobicContact CD2-CD1 3.94Å; L112-L135 HydrophobicContact CG-CD1 4.02Å; F122-L135 HydrophobicContact CZ-CD2 4.01Å; L126-L135 HydrophobicContact CD1-CD1 4.04Å; L126-L135 HydrophobicContact CD1-CD2 3.86Å; L132-L135 HydrophobicContact CD2-CB 4.13Å; L135-L137 HydrophobicContact CD1-CD1 4.21Å; L135-L137 HydrophobicContact CD1-CG 4.05Å; L135-L137 HydrophobicContact CD2-CD1 3.84Å; L135-L137 HydrophobicContact CG-CD1 3.96Å; L135-L137 HydrophobicContact CG-CG 4.1Å; L135-L152 HydrophobicContact CD2-CD1 4.17Å; L135-E156 PolarHBondContact N-O 2.94Å; L135-I157 HydrophobicContact CB-CG1 4.48Å; L135-I157 WeakPolarHBondContact O-CA 3.27Å; L135-N158 PolarHBondContact O-N 3.14Å
136D98.9Very high97.9Very high22 Ų2244.8 Ų44.812%0.11821%0.211CC..EExtended strand (participates in β ladder)trans-105.4112.3175-167.3-10.9000110.7L112 N113 L114 S115 S138 N158L112-D136 PolarHBondContact O-N 2.99Å; N113-D136 HydrophobicContact CB-CB 4.5Å; L114-D136 CarbonylContact C-O 3.45Å; L114-D136 WeakPolarHBondContact CA-O 3.39Å; L114-D136 WeakPolarHBondContact CB-O 3.23Å; L114-D136 PolarHBondContact N-O 2.94Å; S115-D136 PolarHBondContact N-O 2.79Å; D136-S138 VanDerWaalsContact OD1-CB 3.25Å; D136-S138 WeakPolarHBondContact OD1-CB 3.43Å; D136-S138 PolarHBondContact OD1-N 3.39Å; D136-S138 PolarHBondContact OD1-OG 2.98Å; D136-N158 HydrophobicContact CB-CB 4.45Å; D136-N158 PolarHBondContact OD1-ND2 3.15Å
137L98.9Very high97.9Very high0 Ų047.1 Ų47.10%023%0.231CC..  trans-117.816.8176.4-74.4165.8000111.2L114 F119 F122 P123 L135 N140 I142 N158 L159 N162L114-L137 HydrophobicContact CB-CD2 3.88Å; L114-L137 HydrophobicContact CD1-CD2 3.88Å; F119-L137 HydrophobicContact CD2-CD2 4.46Å; F122-L137 HydrophobicContact CD2-CD1 4.24Å; F122-L137 HydrophobicContact CE2-CD1 3.82Å; F122-L137 HydrophobicContact CZ-CD1 4.04Å; P123-L137 HydrophobicContact CG-CD1 3.88Å; P123-L137 HydrophobicContact CG-CD2 3.95Å; L135-L137 HydrophobicContact CD1-CD1 4.21Å; L135-L137 HydrophobicContact CD1-CG 4.05Å; L135-L137 HydrophobicContact CD2-CD1 3.84Å; L135-L137 HydrophobicContact CG-CD1 3.96Å; L135-L137 HydrophobicContact CG-CG 4.1Å; L137-N140 PolarHBondContact O-ND2 2.86Å; L137-I142 HydrophobicContact CB-CD1 4.04Å; L137-I142 HydrophobicContact CD1-CD1 4.2Å; L137-I142 HydrophobicContact CD2-CD1 4.3Å; L137-I142 HydrophobicContact CG-CD1 4.42Å; L137-N158 CarbonylContact C-O 3.42Å; L137-N158 WeakPolarHBondContact CA-O 3.38Å; L137-N158 PolarHBondContact N-O 2.98Å; L137-L159 HydrophobicContact CB-CD2 3.73Å; L137-L159 HydrophobicContact CD1-CD2 4.01Å; L137-N162 PolarHBondContact O-ND2 2.79Å
138S98.9Very high98Very high7 Ų749.3 Ų49.35%0.04925%0.249CC..  trans-62159.3-179.359.90000112.7S115 G116 D136 N140 N158 N160S115-S138 CarbonylContact C-O 3.54Å; S115-S138 WeakPolarHBondContact CA-O 3.25Å; S115-S138 VanDerWaalsContact CB-OG 3.3Å; S115-S138 WeakPolarHBondContact CB-OG 3.4Å; S115-S138 PolarHBondContact OG-O 2.99Å; S115-S138 PolarHBondContact OG-OG 2.81Å; G116-S138 PolarHBondContact N-O 2.83Å; D136-S138 VanDerWaalsContact OD1-CB 3.25Å; D136-S138 WeakPolarHBondContact OD1-CB 3.43Å; D136-S138 PolarHBondContact OD1-N 3.39Å; D136-S138 PolarHBondContact OD1-OG 2.98Å; S138-N140 VanDerWaalsContact C-N 3.33Å; S138-N140 PolarHBondContact O-N 3.19Å; S138-N140 PolarHBondContact O-ND2 3.43Å; S138-N140 VanDerWaalsContact O-ND2 3.12Å; S138-N158 PolarHBondContact N-O 3.02Å; S138-N160 CarbonylContact C-O 3.47Å; S138-N160 WeakPolarHBondContact CA-O 3.28Å; S138-N160 WeakPolarHBondContact CB-O 3.36Å
139R98.8Very high98Very high153 Ų15346.6 Ų46.658%0.57723%0.232SC*.SBendtrans56.146.5177.7-60.2170.7-172.6-94.4-2.7112.4G116 N117 N160 Q161G116-R139 WeakPolarHBondContact CA-O 3.1Å; G116-R139 PolarHBondContact N-O 2.95Å; N117-R139 PolarHBondContact N-O 2.97Å; R139-N160 PolarHBondContact N-O 3.41Å; R139-Q161 WeakPolarHBondContact CA-O 3.09Å; R139-Q161 HydrophobicContact CG-CB 3.98Å; R139-Q161 PolarHBondContact N-O 2.92Å; R139-Q161 VanDerWaalsContact N-O 3.16Å
140N98.9Very high98Very high11 Ų1148.1 Ų48.16%0.05924%0.243CC..SBendtrans-119.5-162.7173.5-83.1-77.3000109.4L114 N117 Q118 F119 L137 S138 I142 Q161 N162L114-N140 PolarHBondContact O-ND2 3.33Å; N117-N140 WeakPolarHBondContact CA-OD1 3.37Å; N117-N140 WeakPolarHBondContact CB-OD1 3.35Å; N117-N140 PolarHBondContact N-OD1 3.08Å; N117-N140 PolarHBondContact O-OD1 3.48Å; Q118-N140 PolarHBondContact N-OD1 3.08Å; F119-N140 HydrophobicContact CB-CB 4.21Å; F119-N140 WeakPolarHBondContact CD2-OD1 3.17Å; F119-N140 PolarHBondContact N-OD1 2.95Å; F119-N140 VanDerWaalsContact N-OD1 3.1Å; L137-N140 PolarHBondContact O-ND2 2.86Å; S138-N140 VanDerWaalsContact C-N 3.33Å; S138-N140 PolarHBondContact O-N 3.19Å; S138-N140 PolarHBondContact O-ND2 3.43Å; S138-N140 VanDerWaalsContact O-ND2 3.12Å; N140-I142 HydrophobicContact CB-CD1 4.39Å; N140-I142 HydrophobicContact CB-CG1 4.19Å; N140-Q161 PolarHBondContact N-O 3.3Å; N140-N162 VanDerWaalsContact CA-OD1 3.27Å; N140-N162 WeakPolarHBondContact CA-OD1 3.44Å; N140-N162 WeakPolarHBondContact CB-OD1 3.27Å; N140-N162 PolarHBondContact N-OD1 2.99Å; N140-N162 PolarHBondContact O-OD1 2.84Å
141R98.6Very high98Very high125 Ų12545.6 Ų45.647%0.47224%0.238SC..  trans-122.728179.9-56.8177.1-172.1161.61.6111.2F119 T120 Q143 N162F119-R141 CarbonylContact O-C 3.47Å; F119-R141 VanDerWaalsContact O-CA 3.3Å; F119-R141 WeakPolarHBondContact O-CA 3.43Å; F119-R141 PolarHBondContact O-N 2.8Å; T120-R141 WeakPolarHBondContact CA-O 3.47Å; T120-R141 HydrophobicContact CG2-CB 4.3Å; R141-Q143 PolarHBondContact O-N 3.28Å; R141-N162 PolarHBondContact N-OD1 3.31Å
142I98.8Very high98Very high0 Ų041.9 Ų41.90%022%0.22CC..  trans-67.8130.2-176-60.4172.3000108.8F119 T120 L137 N140 S144 L159 N162 Q163 I164F119-I142 HydrophobicContact CB-CD1 4.31Å; F119-I142 HydrophobicContact CB-CG1 4.05Å; F119-I142 PolarHBondContact O-N 2.82Å; T120-I142 WeakPolarHBondContact O-CA 3.47Å; L137-I142 HydrophobicContact CB-CD1 4.04Å; L137-I142 HydrophobicContact CD1-CD1 4.2Å; L137-I142 HydrophobicContact CD2-CD1 4.3Å; L137-I142 HydrophobicContact CG-CD1 4.42Å; N140-I142 HydrophobicContact CB-CD1 4.39Å; N140-I142 HydrophobicContact CB-CG1 4.19Å; I142-S144 VanDerWaalsContact CG2-O 3.3Å; I142-S144 WeakPolarHBondContact CG2-O 3.27Å; I142-L159 HydrophobicContact CD1-CD2 4.01Å; I142-N162 HydrophobicContact CB-CB 4.38Å; I142-N162 WeakPolarHBondContact CB-OD1 3.3Å; I142-N162 PolarHBondContact N-OD1 3.15Å; I142-Q163 CarbonylContact O-C 3.53Å; I142-Q163 WeakPolarHBondContact O-CA 3.43Å; I142-Q163 PolarHBondContact O-N 3.1Å; I142-I164 HydrophobicContact CB-CG1 4.38Å; I142-I164 HydrophobicContact CG2-CD1 4.44Å; I142-I164 HydrophobicContact CG2-CG1 4.15Å; I142-I164 VanDerWaalsContact O-CG1 3.31Å; I142-I164 WeakPolarHBondContact O-CG1 3.43Å; I142-I164 PolarHBondContact O-N 3.28Å; I142-I164 VanDerWaalsContact O-N 3.15Å
143Q98.3Very high97.9Very high108 Ų10843.2 Ų43.251%0.50523%0.227SC..  trans-100.2-22.6-177.1-63.7177.521.600113.7T120 R141 Q163 I164 S165T120-Q143 PolarHBondContact O-N 3.06Å; R141-Q143 PolarHBondContact O-N 3.28Å; Q143-Q163 WeakPolarHBondContact CA-O 3.47Å; Q143-Q163 HydrophobicContact CG-CB 4.29Å; Q143-I164 WeakPolarHBondContact O-CA 3.29Å; Q143-S165 PolarHBondContact O-N 3.15Å
144S98.1Very high97.9Very high50 Ų5041.4 Ų41.435%0.3522%0.217SC..EExtended strand (participates in β ladder)trans-149.3150.5-178.564.60000112.5I142 V166I142-S144 VanDerWaalsContact CG2-O 3.3Å; I142-S144 WeakPolarHBondContact CG2-O 3.27Å; S144-V166 VanDerWaalsContact CA-O 3.31Å; S144-V166 WeakPolarHBondContact CA-O 3.44Å
145V98.2Very high97.8Very high3 Ų341.8 Ų41.82%0.01822%0.219CC..EExtended strand (participates in β ladder)trans-103.2109.6168.9-178.80000108F122 V149 L159 I164 V166 L167 S168 V171F122-V145 HydrophobicContact CD2-CG1 4.4Å; F122-V145 HydrophobicContact CE2-CG1 4.48Å; V145-V149 HydrophobicContact CG1-CB 3.9Å; V145-V149 HydrophobicContact CG1-CG1 3.99Å; V145-V149 HydrophobicContact CG1-CG2 3.86Å; V145-L159 HydrophobicContact CG2-CD1 3.71Å; V145-I164 HydrophobicContact CG2-CD1 3.99Å; V145-I164 HydrophobicContact CG2-CG2 4.19Å; V145-V166 PolarHBondContact N-O 3.46Å; V145-L167 HydrophobicContact CB-CD1 3.71Å; V145-L167 HydrophobicContact CG1-CD1 4.05Å; V145-L167 HydrophobicContact CG2-CD1 3.84Å; V145-S168 WeakPolarHBondContact O-CB 3.47Å; V145-S168 PolarHBondContact O-N 2.96Å; V145-V171 HydrophobicContact CG1-CG2 3.9Å
146P97.7Very high97.8Very high50 Ų5044.2 Ų44.233%0.32523%0.23SC..  trans-80.5167.9-172.733.7-37000112.6F122 A148 V149F122-P146 HydrophobicContact CB-CG 3.88Å; F122-P146 HydrophobicContact CD1-CG 4.49Å; F122-P146 HydrophobicContact CG-CG 4.32Å; P146-A148 PolarHBondContact O-N 2.86Å; P146-V149 VanDerWaalsContact O-CB 3.3Å; P146-V149 WeakPolarHBondContact O-CB 3.42Å; P146-V149 WeakPolarHBondContact O-CG1 3.48Å; P146-V149 PolarHBondContact O-N 3.33Å; P146-V149 VanDerWaalsContact O-N 3.09Å
147A97.3Very high97.8Very high52 Ų5243.2 Ų43.243%0.4323%0.225SC..G310 helixtrans-56.6-31.1177.200000114.1V149 S150 S168 E170A147-V149 PolarHBondContact O-N 3.39Å; A147-S150 WeakPolarHBondContact O-CB 3.28Å; A147-S150 PolarHBondContact O-N 2.96Å; A147-S150 VanDerWaalsContact O-N 3.12Å; A147-S150 PolarHBondContact O-OG 2.94Å; A147-S168 WeakPolarHBondContact CA-OG 3.22Å; A147-E170 HydrophobicContact CB-CB 4.25Å; A147-E170 HydrophobicContact CB-CG 3.82Å
148A96.1Very high97.8Very high55 Ų5544.3 Ų44.346%0.45523%0.231SC..G310 helixtrans-61.1-14.1178.300000113.8P146 S150 E151P146-A148 PolarHBondContact O-N 2.86Å; A148-S150 PolarHBondContact O-N 3.26Å; A148-E151 WeakPolarHBondContact O-CB 3.1Å; A148-E151 PolarHBondContact O-N 2.94Å; A148-E151 VanDerWaalsContact O-N 3.14Å
149V96.6Very high97.8Very high2 Ų244 Ų441%0.01223%0.229CC..G310 helixtrans-56.7-29.1172.173.20000112.4F122 V145 P146 A147 E151 L152 I157 V171 C174F122-V149 HydrophobicContact CE2-CG2 4.47Å; F122-V149 HydrophobicContact CZ-CG2 4.12Å; V145-V149 HydrophobicContact CG1-CB 3.9Å; V145-V149 HydrophobicContact CG1-CG1 3.99Å; V145-V149 HydrophobicContact CG1-CG2 3.86Å; P146-V149 VanDerWaalsContact O-CB 3.3Å; P146-V149 WeakPolarHBondContact O-CB 3.42Å; P146-V149 WeakPolarHBondContact O-CG1 3.48Å; P146-V149 PolarHBondContact O-N 3.33Å; P146-V149 VanDerWaalsContact O-N 3.09Å; A147-V149 PolarHBondContact O-N 3.39Å; V149-E151 PolarHBondContact O-N 2.89Å; V149-E151 VanDerWaalsContact O-N 3.13Å; V149-L152 HydrophobicContact CG2-CD1 3.71Å; V149-L152 HydrophobicContact CG2-CG 4.44Å; V149-L152 VanDerWaalsContact O-CB 3.24Å; V149-L152 WeakPolarHBondContact O-CB 3.38Å; V149-L152 VanDerWaalsContact O-CG 3.25Å; V149-L152 WeakPolarHBondContact O-CG 3.27Å; V149-L152 PolarHBondContact O-N 3.12Å; V149-I157 HydrophobicContact CG2-CD1 4.22Å; V149-V171 HydrophobicContact CG1-CB 4.33Å; V149-V171 HydrophobicContact CG1-CG2 3.49Å; V149-V171 VanDerWaalsContact CG1-CG2 3.49Å; V149-V171 HydrophobicContact CG2-CG2 4.38Å; V149-C174 PolarHBondContact O-SG 3.05Å
150S96.3Very high97.8Very high33 Ų3337.7 Ų37.723%0.23121%0.206CC..G310 helixtrans-59.2-22.6177.5550000113.9A147 A148 L152 E170A147-S150 WeakPolarHBondContact O-CB 3.28Å; A147-S150 PolarHBondContact O-N 2.96Å; A147-S150 VanDerWaalsContact O-N 3.12Å; A147-S150 PolarHBondContact O-OG 2.94Å; A148-S150 PolarHBondContact O-N 3.26Å; S150-L152 VanDerWaalsContact C-N 3.27Å; S150-L152 PolarHBondContact O-N 2.81Å; S150-E170 WeakPolarHBondContact CB-O 3.42Å
151E96.4Very high97.8Very high112 Ų11239.8 Ų39.852%0.52322%0.216SC..G310 helixtrans-74.9-19.3177.2-58.4-179.1-176.500112.6G127 A148 V149 Q153G127-E151 WeakPolarHBondContact CA-O 3.31Å; A148-E151 WeakPolarHBondContact O-CB 3.1Å; A148-E151 PolarHBondContact O-N 2.94Å; A148-E151 VanDerWaalsContact O-N 3.14Å; V149-E151 PolarHBondContact O-N 2.89Å; V149-E151 VanDerWaalsContact O-N 3.13Å; E151-Q153 PolarHBondContact O-NE2 3.05Å
152L96.7Very high97.8Very high5 Ų534.4 Ų34.43%0.02620%0.196CC..  trans-66.3142.9-175.2-62-178.9000112.2F122 L126 L135 V149 S150 I157 P175F122-L152 HydrophobicContact CE1-CD1 3.84Å; F122-L152 HydrophobicContact CZ-CD1 3.6Å; L126-L152 HydrophobicContact CB-CD2 3.47Å; L126-L152 VanDerWaalsContact CB-CD2 3.47Å; L135-L152 HydrophobicContact CD2-CD1 4.17Å; V149-L152 HydrophobicContact CG2-CD1 3.71Å; V149-L152 HydrophobicContact CG2-CG 4.44Å; V149-L152 VanDerWaalsContact O-CB 3.24Å; V149-L152 WeakPolarHBondContact O-CB 3.38Å; V149-L152 VanDerWaalsContact O-CG 3.25Å; V149-L152 WeakPolarHBondContact O-CG 3.27Å; V149-L152 PolarHBondContact O-N 3.12Å; S150-L152 VanDerWaalsContact C-N 3.27Å; S150-L152 PolarHBondContact O-N 2.81Å; L152-I157 HydrophobicContact CD1-CD1 3.7Å; L152-P175 WeakPolarHBondContact O-CD 3.25Å
153Q96.3Very high97.8Very high28 Ų2838.7 Ų38.713%0.13122%0.217CC..  trans-107.213.6177.5-56.3-66.6-41.100112.2L132 E151 P175 R176L132-Q153 CarbonylContact O-C 3.09Å; E151-Q153 PolarHBondContact O-NE2 3.05Å; Q153-P175 VanDerWaalsContact OE1-CG 3.26Å; Q153-R176 WeakPolarHBondContact O-CB 3.13Å; Q153-R176 WeakPolarHBondContact O-CD 3.31Å; Q153-R176 PolarHBondContact O-NH1 2.84Å
154A97.7Very high97.8Very high2 Ų233.6 Ų33.62%0.01719%0.193CC..  trans-64.9145-179.700000111.5L132 I157 R176 L177L132-A154 HydrophobicContact CD2-CB 4.23Å; L132-A154 HydrophobicContact CG-CB 4.41Å; L132-A154 WeakPolarHBondContact O-CA 3.06Å; A154-I157 HydrophobicContact CB-CD1 4.43Å; A154-I157 HydrophobicContact CB-CG1 3.92Å; A154-R176 CarbonylContact O-C 3.6Å; A154-L177 WeakPolarHBondContact O-CA 3.32Å; A154-L177 PolarHBondContact O-N 3.27Å
155I98.3Very high97.8Very high60 Ų6033.6 Ų33.631%0.30819%0.193SC..SBendtrans-83.8-39.4169.6-58.7176000109.6D133 K178 V179D133-I155 HydrophobicContact CB-CD1 4.13Å; D133-I155 WeakPolarHBondContact O-CA 3.27Å; D133-I155 WeakPolarHBondContact O-CB 3.39Å; D133-I155 PolarHBondContact O-N 3.03Å; D133-I155 WeakPolarHBondContact OD1-CD1 3.38Å; I155-K178 HydrophobicContact CG2-CB 4.14Å; I155-K178 HydrophobicContact CG2-CG 4.13Å; I155-K178 PolarHBondContact O-N 3.01Å; I155-V179 PolarHBondContact O-N 3.3Å
156E98.6Very high97.8Very high50 Ų5037.4 Ų37.423%0.23422%0.216CC..EExtended strand (participates in β ladder)trans-127.5129.9-178.8-179.1161.8176.800111.3D133 L134 L135 V179 R181D133-E156 PolarHBondContact O-N 3.12Å; L134-E156 HydrophobicContact CD1-CB 3.85Å; L134-E156 HydrophobicContact CD1-CG 3.64Å; L135-E156 PolarHBondContact N-O 2.94Å; E156-V179 WeakPolarHBondContact CA-O 3.46Å; E156-V179 HydrophobicContact CB-CB 3.92Å; E156-V179 HydrophobicContact CB-CG1 4.42Å; E156-V179 HydrophobicContact CG-CB 3.73Å; E156-V179 HydrophobicContact CG-CG1 3.67Å; E156-R181 IonicContact OE1-CZ 3.13Å; E156-R181 IonicContact OE1-NE 3.3Å; E156-R181 PolarHBondContact OE1-NE 3.24Å; E156-R181 IonicContact OE1-NH2 3.48Å; E156-R181 PolarHBondContact OE1-NH2 3.27Å
157I98.6Very high97.8Very high2 Ų235.5 Ų35.51%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-120.4117.6170.5-61.8171.9000107.7L135 V149 L152 A154 L159 L177 V179 L180 R181L135-I157 HydrophobicContact CB-CG1 4.48Å; L135-I157 WeakPolarHBondContact O-CA 3.27Å; V149-I157 HydrophobicContact CG2-CD1 4.22Å; L152-I157 HydrophobicContact CD1-CD1 3.7Å; A154-I157 HydrophobicContact CB-CD1 4.43Å; A154-I157 HydrophobicContact CB-CG1 3.92Å; I157-L159 HydrophobicContact CG2-CD1 3.71Å; I157-L159 HydrophobicContact CG2-CG 3.8Å; I157-L177 HydrophobicContact CB-CD1 4.08Å; I157-L177 HydrophobicContact CD1-CD1 3.7Å; I157-L177 HydrophobicContact CD1-CD2 4.25Å; I157-L177 HydrophobicContact CG1-CD1 3.65Å; I157-V179 PolarHBondContact N-O 3.35Å; I157-L180 HydrophobicContact CB-CD1 4.22Å; I157-L180 HydrophobicContact CG2-CD1 4.33Å; I157-R181 PolarHBondContact O-N 3.09Å
158N98.9Very high97.8Very high22 Ų2234.2 Ų34.212%0.11819%0.191CC..EExtended strand (participates in β ladder)trans-103.3115.2174-175.56.1000110.1L135 D136 L137 S138 N160L135-N158 PolarHBondContact O-N 3.14Å; D136-N158 HydrophobicContact CB-CB 4.45Å; D136-N158 PolarHBondContact OD1-ND2 3.15Å; L137-N158 CarbonylContact C-O 3.42Å; L137-N158 WeakPolarHBondContact CA-O 3.38Å; L137-N158 PolarHBondContact N-O 2.98Å; S138-N158 PolarHBondContact N-O 3.02Å; N158-N160 WeakPolarHBondContact OD1-CB 3.35Å; N158-N160 VanDerWaalsContact OD1-CG 3.22Å; N158-N160 PolarHBondContact OD1-N 3.45Å; N158-N160 VanDerWaalsContact OD1-N 3.08Å; N158-N160 PolarHBondContact OD1-OD1 3.32Å
159L98.8Very high97.9Very high1 Ų133.7 Ų33.71%0.00519%0.186CC..  trans-121.217.9178.6-71.4160.1000111.6F122 L137 I142 V145 I157 N162 I164 L180 R181 L182 N185F122-L159 HydrophobicContact CD2-CD2 4.33Å; F122-L159 HydrophobicContact CE2-CD1 4.32Å; F122-L159 HydrophobicContact CE2-CD2 4.14Å; L137-L159 HydrophobicContact CB-CD2 3.73Å; L137-L159 HydrophobicContact CD1-CD2 4.01Å; I142-L159 HydrophobicContact CD1-CD2 4.01Å; V145-L159 HydrophobicContact CG2-CD1 3.71Å; I157-L159 HydrophobicContact CG2-CD1 3.71Å; I157-L159 HydrophobicContact CG2-CG 3.8Å; L159-N162 PolarHBondContact O-ND2 3.48Å; L159-I164 HydrophobicContact CB-CD1 3.73Å; L159-I164 HydrophobicContact CD1-CD1 4.09Å; L159-I164 HydrophobicContact CD2-CD1 4.03Å; L159-I164 HydrophobicContact CG-CD1 4.17Å; L159-L180 HydrophobicContact CD1-CD1 4.35Å; L159-R181 CarbonylContact C-O 3.28Å; L159-R181 WeakPolarHBondContact CA-O 3.3Å; L159-R181 WeakPolarHBondContact CB-O 3.47Å; L159-R181 PolarHBondContact N-O 3.05Å; L159-L182 HydrophobicContact CB-CD2 3.73Å; L159-L182 HydrophobicContact CB-CG 4.38Å; L159-L182 HydrophobicContact CD1-CD2 4.01Å; L159-N185 PolarHBondContact O-ND2 2.91Å
160N98.9Very high98Very high20 Ų2035.9 Ų35.911%0.10720%0.197CC..  trans-55.7148.2179.7-70.92.6000111.6S138 R139 N158 N162 R181 L182 E183S138-N160 CarbonylContact C-O 3.47Å; S138-N160 WeakPolarHBondContact CA-O 3.28Å; S138-N160 WeakPolarHBondContact CB-O 3.36Å; R139-N160 PolarHBondContact N-O 3.41Å; N158-N160 WeakPolarHBondContact OD1-CB 3.35Å; N158-N160 VanDerWaalsContact OD1-CG 3.22Å; N158-N160 PolarHBondContact OD1-N 3.45Å; N158-N160 VanDerWaalsContact OD1-N 3.08Å; N158-N160 PolarHBondContact OD1-OD1 3.32Å; N160-N162 PolarHBondContact O-ND2 2.98Å; N160-R181 WeakPolarHBondContact OD1-CB 3.33Å; N160-R181 PolarHBondContact OD1-O 2.97Å; N160-L182 PolarHBondContact OD1-N 3.22Å; N160-E183 CarbonylContact C-O 3.41Å; N160-E183 WeakPolarHBondContact CA-O 3.21Å; N160-E183 HydrophobicContact CB-CB 4.35Å; N160-E183 VanDerWaalsContact ND2-CD 3.3Å; N160-E183 PolarHBondContact ND2-OE2 2.84Å; N160-E183 WeakPolarHBondContact OD1-CB 3.31Å; N160-E183 PolarHBondContact OD1-N 3.14Å
161Q98.8Very high98.1Very high56 Ų5634.4 Ų34.426%0.26219%0.186SC..SBendtrans58.255.3174.7-64.2175.2-19.700112R139 N140 E183 E184R139-Q161 WeakPolarHBondContact CA-O 3.09Å; R139-Q161 HydrophobicContact CG-CB 3.98Å; R139-Q161 PolarHBondContact N-O 2.92Å; R139-Q161 VanDerWaalsContact N-O 3.16Å; N140-Q161 PolarHBondContact N-O 3.3Å; Q161-E183 PolarHBondContact N-O 2.97Å; Q161-E184 VanDerWaalsContact CA-O 3.24Å; Q161-E184 WeakPolarHBondContact CA-O 3.33Å; Q161-E184 HydrophobicContact CG-CB 3.82Å; Q161-E184 HydrophobicContact CG-CG 4.43Å; Q161-E184 WeakPolarHBondContact CG-OE2 3.48Å; Q161-E184 PolarHBondContact N-O 2.92Å; Q161-E184 PolarHBondContact NE2-OE2 3.39Å
162N98.9Very high98.1Very high11 Ų1129.8 Ų29.86%0.05917%0.166CC..SBendtrans-123.5-166.5171.5-85.9-80.7000109.1L137 N140 R141 I142 L159 N160 I164 E184 N185L137-N162 PolarHBondContact O-ND2 2.79Å; N140-N162 VanDerWaalsContact CA-OD1 3.27Å; N140-N162 WeakPolarHBondContact CA-OD1 3.44Å; N140-N162 WeakPolarHBondContact CB-OD1 3.27Å; N140-N162 PolarHBondContact N-OD1 2.99Å; N140-N162 PolarHBondContact O-OD1 2.84Å; R141-N162 PolarHBondContact N-OD1 3.31Å; I142-N162 HydrophobicContact CB-CB 4.38Å; I142-N162 WeakPolarHBondContact CB-OD1 3.3Å; I142-N162 PolarHBondContact N-OD1 3.15Å; L159-N162 PolarHBondContact O-ND2 3.48Å; N160-N162 PolarHBondContact O-ND2 2.98Å; N162-I164 HydrophobicContact CB-CD1 3.98Å; N162-I164 HydrophobicContact CB-CG1 3.91Å; N162-E184 PolarHBondContact N-O 2.98Å; N162-N185 VanDerWaalsContact CA-OD1 3.31Å; N162-N185 WeakPolarHBondContact CA-OD1 3.38Å; N162-N185 WeakPolarHBondContact CB-OD1 3.47Å; N162-N185 PolarHBondContact N-OD1 2.74Å; N162-N185 PolarHBondContact O-OD1 3.44Å
163Q98.6Very high98.1Very high91 Ų9137.4 Ų37.443%0.42519%0.194SC..  trans-114.629179.1-62.317118.900110.4I142 Q143 S165 N185I142-Q163 CarbonylContact O-C 3.53Å; I142-Q163 WeakPolarHBondContact O-CA 3.43Å; I142-Q163 PolarHBondContact O-N 3.1Å; Q143-Q163 WeakPolarHBondContact CA-O 3.47Å; Q143-Q163 HydrophobicContact CG-CB 4.29Å; Q163-S165 PolarHBondContact O-N 2.85Å; Q163-N185 PolarHBondContact N-OD1 2.91Å
164I98.7Very high98.2Very high0 Ų036.2 Ų36.20%019%0.189CC..  trans-70.8117.9-168.9-62165.8000109.1I142 Q143 V145 L159 N162 L182 N185 C186 L187I142-I164 HydrophobicContact CB-CG1 4.38Å; I142-I164 HydrophobicContact CG2-CD1 4.44Å; I142-I164 HydrophobicContact CG2-CG1 4.15Å; I142-I164 VanDerWaalsContact O-CG1 3.31Å; I142-I164 WeakPolarHBondContact O-CG1 3.43Å; I142-I164 PolarHBondContact O-N 3.28Å; I142-I164 VanDerWaalsContact O-N 3.15Å; Q143-I164 WeakPolarHBondContact O-CA 3.29Å; V145-I164 HydrophobicContact CG2-CD1 3.99Å; V145-I164 HydrophobicContact CG2-CG2 4.19Å; L159-I164 HydrophobicContact CB-CD1 3.73Å; L159-I164 HydrophobicContact CD1-CD1 4.09Å; L159-I164 HydrophobicContact CD2-CD1 4.03Å; L159-I164 HydrophobicContact CG-CD1 4.17Å; N162-I164 HydrophobicContact CB-CD1 3.98Å; N162-I164 HydrophobicContact CB-CG1 3.91Å; I164-L182 HydrophobicContact CB-CD2 4.45Å; I164-L182 HydrophobicContact CD1-CD2 3.51Å; I164-L182 HydrophobicContact CG2-CD2 4.35Å; I164-N185 HydrophobicContact CB-CB 4.34Å; I164-N185 VanDerWaalsContact CB-OD1 3.27Å; I164-N185 WeakPolarHBondContact CB-OD1 3.24Å; I164-N185 WeakPolarHBondContact CG1-OD1 3.41Å; I164-N185 PolarHBondContact N-OD1 2.97Å; I164-C186 CarbonylContact O-C 3.14Å; I164-C186 VanDerWaalsContact O-CA 3.29Å; I164-C186 WeakPolarHBondContact O-CA 3.48Å; I164-C186 PolarHBondContact O-N 3.32Å; I164-L187 HydrophobicContact CG2-CD2 4.02Å; I164-L187 HydrophobicContact CG2-CG 4.46Å; I164-L187 PolarHBondContact O-N 3.34Å; I164-L187 VanDerWaalsContact O-N 3.12Å
165S98Very high98.1Very high51 Ų5138.6 Ų38.636%0.35720%0.204SC..  trans-112.1-18.2173.258.60000112.7Q143 Q163 C186 S191Q143-S165 PolarHBondContact O-N 3.15Å; Q163-S165 PolarHBondContact O-N 2.85Å; S165-C186 WeakPolarHBondContact CA-O 3.29Å; S165-S191 WeakPolarHBondContact O-CB 3.48Å; S165-S191 PolarHBondContact O-OG 3.2Å; S165-S191 VanDerWaalsContact O-OG 3.04Å
166V97.9Very high98Very high83 Ų8339.6 Ų39.650%0.50320%0.204SC..EExtended strand (participates in β ladder)trans-123.2122.9-179.2-177.90000110.6S144 V145S144-V166 VanDerWaalsContact CA-O 3.31Å; S144-V166 WeakPolarHBondContact CA-O 3.44Å; V145-V166 PolarHBondContact N-O 3.46Å
167L98Very high98Very high9 Ų937.3 Ų37.35%0.04719%0.194CC..EExtended strand (participates in β ladder)trans-118.6116.8177-177.360.2000109.6V145 V171 L182 L187 I192 P193 I196 F205V145-L167 HydrophobicContact CB-CD1 3.71Å; V145-L167 HydrophobicContact CG1-CD1 4.05Å; V145-L167 HydrophobicContact CG2-CD1 3.84Å; L167-V171 HydrophobicContact CD1-CG2 3.78Å; L167-L182 HydrophobicContact CD1-CD1 4.07Å; L167-L182 HydrophobicContact CD2-CD1 3.75Å; L167-L187 HydrophobicContact CB-CD2 4Å; L167-I192 HydrophobicContact CD2-CD1 4.44Å; L167-P193 HydrophobicContact CG-CG 4.44Å; L167-P193 WeakPolarHBondContact O-CG 3.31Å; L167-I196 HydrophobicContact CD2-CD1 3.52Å; L167-I196 HydrophobicContact CG-CD1 3.95Å; L167-F205 HydrophobicContact CD2-CZ 4.49Å
168S97.9Very high98Very high26 Ų2640.8 Ų40.818%0.18221%0.209CC..  trans-67.4138.5178.5-176.70000112.3V145 A147 E170 V171V145-S168 WeakPolarHBondContact O-CB 3.47Å; V145-S168 PolarHBondContact O-N 2.96Å; A147-S168 WeakPolarHBondContact CA-OG 3.22Å; S168-E170 PolarHBondContact O-N 3.26Å; S168-E170 VanDerWaalsContact O-N 3.17Å; S168-E170 PolarHBondContact OG-N 2.9Å; S168-V171 WeakPolarHBondContact O-CB 3.36Å; S168-V171 VanDerWaalsContact O-CG2 3.28Å; S168-V171 WeakPolarHBondContact O-CG2 3.35Å; S168-V171 PolarHBondContact O-N 2.93Å
169A97.9Very high97.9Very high43 Ų4340.8 Ų40.836%0.35521%0.209SC..G310 helixtrans-59.8-22.6172.200000113.3V171 S172 P193 S195A169-V171 PolarHBondContact O-N 3.4Å; A169-V171 VanDerWaalsContact O-N 3.15Å; A169-S172 WeakPolarHBondContact O-CB 3.36Å; A169-S172 PolarHBondContact O-N 3.1Å; A169-S172 PolarHBondContact O-OG 2.87Å; A169-P193 HydrophobicContact CB-CB 3.78Å; A169-P193 HydrophobicContact CB-CG 4.2Å; A169-S195 PolarHBondContact O-OG 3.02Å
170E98Very high97.9Very high49 Ų4940.9 Ų40.923%0.22921%0.21CC..G310 helixtrans-66-13.3178.8-64.3-62.5140.400113.2A147 S150 S168 S172 R173A147-E170 HydrophobicContact CB-CB 4.25Å; A147-E170 HydrophobicContact CB-CG 3.82Å; S150-E170 WeakPolarHBondContact CB-O 3.42Å; S168-E170 PolarHBondContact O-N 3.26Å; S168-E170 VanDerWaalsContact O-N 3.17Å; S168-E170 PolarHBondContact OG-N 2.9Å; E170-S172 PolarHBondContact O-N 3.42Å; E170-R173 VanDerWaalsContact CD-NH1 3.3Å; E170-R173 WeakPolarHBondContact O-CB 3.49Å; E170-R173 PolarHBondContact O-N 3.35Å; E170-R173 IonicContact OE1-CZ 3.56Å; E170-R173 IonicContact OE1-NH1 2.93Å; E170-R173 PolarHBondContact OE1-NH1 2.91Å; E170-R173 IonicContact OE1-NH2 3.17Å; E170-R173 WeakPolarHBondContact OE2-CD 3.47Å; E170-R173 IonicContact OE2-CZ 2.97Å; E170-R173 IonicContact OE2-NE 3.92Å; E170-R173 IonicContact OE2-NH1 3.73Å; E170-R173 PolarHBondContact OE2-NH1 3.32Å
171V97.6Very high97.9Very high2 Ų243.2 Ų43.21%0.01222%0.217CC..G310 helixtrans-53.4-34.8167.2172.50000111.4V145 V149 L167 S168 A169 R173 C174 L177 L180 I196V145-V171 HydrophobicContact CG1-CG2 3.9Å; V149-V171 HydrophobicContact CG1-CB 4.33Å; V149-V171 HydrophobicContact CG1-CG2 3.49Å; V149-V171 VanDerWaalsContact CG1-CG2 3.49Å; V149-V171 HydrophobicContact CG2-CG2 4.38Å; L167-V171 HydrophobicContact CD1-CG2 3.78Å; S168-V171 WeakPolarHBondContact O-CB 3.36Å; S168-V171 VanDerWaalsContact O-CG2 3.28Å; S168-V171 WeakPolarHBondContact O-CG2 3.35Å; S168-V171 PolarHBondContact O-N 2.93Å; A169-V171 PolarHBondContact O-N 3.4Å; A169-V171 VanDerWaalsContact O-N 3.15Å; V171-R173 PolarHBondContact O-N 3.47Å; V171-R173 VanDerWaalsContact O-N 3.15Å; V171-C174 WeakPolarHBondContact O-CB 3.31Å; V171-C174 PolarHBondContact O-N 2.86Å; V171-C174 VanDerWaalsContact O-N 3.15Å; V171-C174 PolarHBondContact O-SG 3.25Å; V171-L177 HydrophobicContact CG1-CD2 3.84Å; V171-L180 HydrophobicContact CG1-CD2 3.76Å; V171-I196 HydrophobicContact CB-CD1 3.92Å; V171-I196 HydrophobicContact CB-CG1 4.27Å; V171-I196 HydrophobicContact CG1-CD1 3.91Å; V171-I196 HydrophobicContact CG1-CG1 4.3Å
172S97.3Very high97.9Very high15 Ų1540.5 Ų40.511%0.10521%0.205CC..G310 helixtrans-59.5-25.2177.363.20000113.6A169 E170 S195A169-S172 WeakPolarHBondContact O-CB 3.36Å; A169-S172 PolarHBondContact O-N 3.1Å; A169-S172 PolarHBondContact O-OG 2.87Å; E170-S172 PolarHBondContact O-N 3.42Å; S172-S195 WeakPolarHBondContact CB-O 3.35Å
173R97.5Very high97.9Very high164 Ų16442.1 Ų42.162%0.61921%0.212SC*.G310 helixtrans-90-1.5-178-58.6-163.9-177.4151.6-7.9114.1E170 V171 P175E170-R173 VanDerWaalsContact CD-NH1 3.3Å; E170-R173 WeakPolarHBondContact O-CB 3.49Å; E170-R173 PolarHBondContact O-N 3.35Å; E170-R173 IonicContact OE1-CZ 3.56Å; E170-R173 IonicContact OE1-NH1 2.93Å; E170-R173 PolarHBondContact OE1-NH1 2.91Å; E170-R173 IonicContact OE1-NH2 3.17Å; E170-R173 WeakPolarHBondContact OE2-CD 3.47Å; E170-R173 IonicContact OE2-CZ 2.97Å; E170-R173 IonicContact OE2-NE 3.92Å; E170-R173 IonicContact OE2-NH1 3.73Å; E170-R173 PolarHBondContact OE2-NH1 3.32Å; V171-R173 PolarHBondContact O-N 3.47Å; V171-R173 VanDerWaalsContact O-N 3.15Å; R173-P175 VanDerWaalsContact O-CD 3.29Å; R173-P175 WeakPolarHBondContact O-CD 3.35Å; R173-P175 VanDerWaalsContact O-N 3.12Å
174C97.1Very high97.9Very high3 Ų342.9 Ų42.92%0.0222%0.216CC..  trans-60.6115.8176-65.70000109.8V149 V171 R176 L177V149-C174 PolarHBondContact O-SG 3.05Å; V171-C174 WeakPolarHBondContact O-CB 3.31Å; V171-C174 PolarHBondContact O-N 2.86Å; V171-C174 VanDerWaalsContact O-N 3.15Å; V171-C174 PolarHBondContact O-SG 3.25Å; C174-R176 VanDerWaalsContact C-N 3.29Å; C174-R176 PolarHBondContact O-N 2.85Å; C174-L177 HydrophobicContact CB-CB 3.47Å; C174-L177 VanDerWaalsContact CB-CB 3.47Å; C174-L177 HydrophobicContact CB-CD2 4.02Å; C174-L177 HydrophobicContact CB-CG 4.38Å
175P95.9Very high97.9Very high52 Ų5243.3 Ų43.334%0.33822%0.218SC..SBendtrans-68.4-23.7-165.623.9-35.6000114.6L152 Q153 R173 Q201L152-P175 WeakPolarHBondContact O-CD 3.25Å; Q153-P175 VanDerWaalsContact OE1-CG 3.26Å; R173-P175 VanDerWaalsContact O-CD 3.29Å; R173-P175 WeakPolarHBondContact O-CD 3.35Å; R173-P175 VanDerWaalsContact O-N 3.12Å; P175-Q201 PolarHBondContact O-NE2 3.08Å
176R96.8Very high97.9Very high81 Ų8143.3 Ų43.331%0.30622%0.217SC..SBendtrans-118.6-6.1-176.7-67.2-178.369.3-139.26.6114L132 D133 Q153 A154 C174 K178L132-R176 PolarHBondContact O-NH1 3.27Å; D133-R176 IonicContact OD1-CZ 3.52Å; D133-R176 IonicContact OD1-NH1 3.04Å; D133-R176 IonicContact OD1-NH2 2.77Å; D133-R176 PolarHBondContact OD1-NH2 3Å; Q153-R176 WeakPolarHBondContact O-CB 3.13Å; Q153-R176 WeakPolarHBondContact O-CD 3.31Å; Q153-R176 PolarHBondContact O-NH1 2.84Å; A154-R176 CarbonylContact O-C 3.6Å; C174-R176 VanDerWaalsContact C-N 3.29Å; C174-R176 PolarHBondContact O-N 2.85Å; R176-K178 PolarHBondContact O-N 2.85Å
177L98Very high97.9Very high2 Ų239.3 Ų39.31%0.0119%0.193CC..  trans-68.1120.3-171.1-172.867.1000111.1A154 I157 V171 C174 V179 L180 Q201 V202A154-L177 WeakPolarHBondContact O-CA 3.32Å; A154-L177 PolarHBondContact O-N 3.27Å; I157-L177 HydrophobicContact CB-CD1 4.08Å; I157-L177 HydrophobicContact CD1-CD1 3.7Å; I157-L177 HydrophobicContact CD1-CD2 4.25Å; I157-L177 HydrophobicContact CG1-CD1 3.65Å; V171-L177 HydrophobicContact CG1-CD2 3.84Å; C174-L177 HydrophobicContact CB-CB 3.47Å; C174-L177 VanDerWaalsContact CB-CB 3.47Å; C174-L177 HydrophobicContact CB-CD2 4.02Å; C174-L177 HydrophobicContact CB-CG 4.38Å; L177-V179 WeakPolarHBondContact CD1-O 3.3Å; L177-L180 HydrophobicContact CD2-CB 4.46Å; L177-Q201 CarbonylContact O-C 3.15Å; L177-V202 HydrophobicContact CD2-CG2 4.01Å; L177-V202 HydrophobicContact CG-CG2 4.09Å
178K97.8Very high97.9Very high76 Ų7644 Ų4433%0.3322%0.215SC..  trans-115.3-32.5176.7-59.5-53.1-172.9-175.60112.2I155 R176 Q201 S203 L204I155-K178 HydrophobicContact CG2-CB 4.14Å; I155-K178 HydrophobicContact CG2-CG 4.13Å; I155-K178 PolarHBondContact O-N 3.01Å; R176-K178 PolarHBondContact O-N 2.85Å; K178-Q201 HydrophobicContact CD-CB 4.33Å; K178-Q201 VanDerWaalsContact CD-O 3.31Å; K178-Q201 WeakPolarHBondContact CD-O 3.44Å; K178-S203 PolarHBondContact O-N 3.04Å; K178-L204 PolarHBondContact O-N 3.32Å
179V98.5Very high97.9Very high21 Ų2144.6 Ų44.613%0.12722%0.216CC..EExtended strand (participates in β ladder)trans-121.9118.9-175.1-176.60000109.2I155 E156 I157 L177 R181 L204I155-V179 PolarHBondContact O-N 3.3Å; E156-V179 WeakPolarHBondContact CA-O 3.46Å; E156-V179 HydrophobicContact CB-CB 3.92Å; E156-V179 HydrophobicContact CB-CG1 4.42Å; E156-V179 HydrophobicContact CG-CB 3.73Å; E156-V179 HydrophobicContact CG-CG1 3.67Å; I157-V179 PolarHBondContact N-O 3.35Å; L177-V179 WeakPolarHBondContact CD1-O 3.3Å; V179-R181 HydrophobicContact CG1-CG 4.05Å; V179-L204 WeakPolarHBondContact CA-O 3.45Å; V179-L204 HydrophobicContact CB-CB 4.43Å; V179-L204 HydrophobicContact CG1-CB 4.18Å; V179-L204 HydrophobicContact CG1-CD1 4.2Å; V179-L204 HydrophobicContact CG1-CD2 4.08Å; V179-L204 HydrophobicContact CG1-CG 4.37Å; V179-L204 HydrophobicContact CG2-CB 4.12Å
180L98.6Very high97.8Very high4 Ų447.3 Ų47.32%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-125115.3174.8178.461.5000108.7I157 L159 V171 L177 L182 V202 L204 F205 S206I157-L180 HydrophobicContact CB-CD1 4.22Å; I157-L180 HydrophobicContact CG2-CD1 4.33Å; L159-L180 HydrophobicContact CD1-CD1 4.35Å; V171-L180 HydrophobicContact CG1-CD2 3.76Å; L177-L180 HydrophobicContact CD2-CB 4.46Å; L180-L182 HydrophobicContact CD1-CD1 4.13Å; L180-L182 HydrophobicContact CD1-CG 4.34Å; L180-L182 HydrophobicContact CD2-CD1 3.86Å; L180-L182 HydrophobicContact CG-CD1 3.87Å; L180-L182 HydrophobicContact CG-CG 4.35Å; L180-V202 HydrophobicContact CB-CG1 4.16Å; L180-L204 PolarHBondContact N-O 2.74Å; L180-F205 HydrophobicContact CB-CD2 4.2Å; L180-F205 HydrophobicContact CD2-CD2 3.95Å; L180-F205 HydrophobicContact CD2-CE2 3.75Å; L180-F205 HydrophobicContact CG-CD2 4.12Å; L180-F205 HydrophobicContact CG-CE2 4.21Å; L180-F205 WeakPolarHBondContact O-CA 3.43Å; L180-S206 PolarHBondContact O-N 3.26Å
181R98.8Very high97.7Very high68 Ų6846.7 Ų46.726%0.25723%0.233SC..EExtended strand (participates in β ladder)trans-109.6123.1178.4-45.7178.3175.6-91.6-1.9109.9E156 I157 L159 N160 V179E156-R181 IonicContact OE1-CZ 3.13Å; E156-R181 IonicContact OE1-NE 3.3Å; E156-R181 PolarHBondContact OE1-NE 3.24Å; E156-R181 IonicContact OE1-NH2 3.48Å; E156-R181 PolarHBondContact OE1-NH2 3.27Å; I157-R181 PolarHBondContact O-N 3.09Å; L159-R181 CarbonylContact C-O 3.28Å; L159-R181 WeakPolarHBondContact CA-O 3.3Å; L159-R181 WeakPolarHBondContact CB-O 3.47Å; L159-R181 PolarHBondContact N-O 3.05Å; N160-R181 WeakPolarHBondContact OD1-CB 3.33Å; N160-R181 PolarHBondContact OD1-O 2.97Å; V179-R181 HydrophobicContact CG1-CG 4.05Å
182L98.6Very high97.7Very high0 Ų047 Ų470%023%0.234CC..  trans-135.229.8-177-82.6161.9000110.4L159 N160 I164 L167 L180 N185 L187 F205 S206 V207 N210L159-L182 HydrophobicContact CB-CD2 3.73Å; L159-L182 HydrophobicContact CB-CG 4.38Å; L159-L182 HydrophobicContact CD1-CD2 4.01Å; N160-L182 PolarHBondContact OD1-N 3.22Å; I164-L182 HydrophobicContact CB-CD2 4.45Å; I164-L182 HydrophobicContact CD1-CD2 3.51Å; I164-L182 HydrophobicContact CG2-CD2 4.35Å; L167-L182 HydrophobicContact CD1-CD1 4.07Å; L167-L182 HydrophobicContact CD2-CD1 3.75Å; L180-L182 HydrophobicContact CD1-CD1 4.13Å; L180-L182 HydrophobicContact CD1-CG 4.34Å; L180-L182 HydrophobicContact CD2-CD1 3.86Å; L180-L182 HydrophobicContact CG-CD1 3.87Å; L180-L182 HydrophobicContact CG-CG 4.35Å; L182-N185 PolarHBondContact O-ND2 3.07Å; L182-L187 HydrophobicContact CB-CD1 4.15Å; L182-L187 HydrophobicContact CD1-CD1 4.11Å; L182-L187 HydrophobicContact CD2-CD1 4.33Å; L182-L187 HydrophobicContact CG-CD1 4.44Å; L182-F205 HydrophobicContact CD1-CE2 3.95Å; L182-S206 CarbonylContact C-O 3.44Å; L182-S206 WeakPolarHBondContact CA-O 3.41Å; L182-S206 PolarHBondContact N-O 2.89Å; L182-V207 HydrophobicContact CB-CG1 4.42Å; L182-N210 PolarHBondContact O-ND2 3.18Å
183E98.6Very high97.7Very high44 Ų4447.2 Ų47.221%0.20624%0.236CC..  trans-65.9148.7179.1-58.2160.2-143.500110.6N160 Q161 N185 S206 E208N160-E183 CarbonylContact C-O 3.41Å; N160-E183 WeakPolarHBondContact CA-O 3.21Å; N160-E183 HydrophobicContact CB-CB 4.35Å; N160-E183 VanDerWaalsContact ND2-CD 3.3Å; N160-E183 PolarHBondContact ND2-OE2 2.84Å; N160-E183 WeakPolarHBondContact OD1-CB 3.31Å; N160-E183 PolarHBondContact OD1-N 3.14Å; Q161-E183 PolarHBondContact N-O 2.97Å; E183-N185 PolarHBondContact O-ND2 3.4Å; E183-S206 WeakPolarHBondContact OE1-CB 3.36Å; E183-S206 PolarHBondContact OE1-OG 3.33Å; E183-S206 VanDerWaalsContact OE1-OG 3.12Å; E183-E208 CarbonylContact C-O 3.3Å; E183-E208 WeakPolarHBondContact CA-O 3.29Å; E183-E208 WeakPolarHBondContact CB-O 3.37Å; E183-E208 HydrophobicContact CG-CB 4.28Å
184E98.6Very high97.7Very high108 Ų10843.3 Ų43.351%0.50523%0.225SC..SBendtrans53.361.7177.1-59.7-179.1-162.600112.2Q161 N162 E208 G209Q161-E184 VanDerWaalsContact CA-O 3.24Å; Q161-E184 WeakPolarHBondContact CA-O 3.33Å; Q161-E184 HydrophobicContact CG-CB 3.82Å; Q161-E184 HydrophobicContact CG-CG 4.43Å; Q161-E184 WeakPolarHBondContact CG-OE2 3.48Å; Q161-E184 PolarHBondContact N-O 2.92Å; Q161-E184 PolarHBondContact NE2-OE2 3.39Å; N162-E184 PolarHBondContact N-O 2.98Å; E184-E208 PolarHBondContact N-O 2.57Å; E184-G209 WeakPolarHBondContact CA-O 3.38Å
185N98.8Very high97.7Very high8 Ų844.1 Ų44.14%0.04323%0.23CC..SBendtrans-130.9-171.2178.4-88.4-80.5000110.4L159 N162 Q163 I164 L182 E183 N210L159-N185 PolarHBondContact O-ND2 2.91Å; N162-N185 VanDerWaalsContact CA-OD1 3.31Å; N162-N185 WeakPolarHBondContact CA-OD1 3.38Å; N162-N185 WeakPolarHBondContact CB-OD1 3.47Å; N162-N185 PolarHBondContact N-OD1 2.74Å; N162-N185 PolarHBondContact O-OD1 3.44Å; Q163-N185 PolarHBondContact N-OD1 2.91Å; I164-N185 HydrophobicContact CB-CB 4.34Å; I164-N185 VanDerWaalsContact CB-OD1 3.27Å; I164-N185 WeakPolarHBondContact CB-OD1 3.24Å; I164-N185 WeakPolarHBondContact CG1-OD1 3.41Å; I164-N185 PolarHBondContact N-OD1 2.97Å; L182-N185 PolarHBondContact O-ND2 3.07Å; E183-N185 PolarHBondContact O-ND2 3.4Å; N185-N210 WeakPolarHBondContact CA-OD1 3.49Å; N185-N210 WeakPolarHBondContact CB-OD1 3.37Å; N185-N210 PolarHBondContact O-OD1 3.37Å
186C98.4Very high97.8Very high51 Ų5141.7 Ų41.735%0.34521%0.214SC..  trans-109.727.2-176.9-60.50000112.7I164 S165 L211I164-C186 CarbonylContact O-C 3.14Å; I164-C186 VanDerWaalsContact O-CA 3.29Å; I164-C186 WeakPolarHBondContact O-CA 3.48Å; I164-C186 PolarHBondContact O-N 3.32Å; S165-C186 WeakPolarHBondContact CA-O 3.29Å; C186-L211 HydrophobicContact CB-CD1 4.28Å; C186-L211 WeakPolarHBondContact O-CD1 3.24Å
187L98.2Very high97.8Very high0 Ų037.8 Ų37.80%020%0.2CC..  trans-73.6133.2-179-65.6164.1000110.4I164 L167 L182 I192 N210 L211 F212I164-L187 HydrophobicContact CG2-CD2 4.02Å; I164-L187 HydrophobicContact CG2-CG 4.46Å; I164-L187 PolarHBondContact O-N 3.34Å; I164-L187 VanDerWaalsContact O-N 3.12Å; L167-L187 HydrophobicContact CB-CD2 4Å; L182-L187 HydrophobicContact CB-CD1 4.15Å; L182-L187 HydrophobicContact CD1-CD1 4.11Å; L182-L187 HydrophobicContact CD2-CD1 4.33Å; L182-L187 HydrophobicContact CG-CD1 4.44Å; L187-I192 HydrophobicContact CB-CD1 4.14Å; L187-I192 HydrophobicContact CD1-CD1 3.82Å; L187-I192 HydrophobicContact CD2-CD1 4.46Å; L187-I192 HydrophobicContact CG-CD1 4.37Å; L187-N210 HydrophobicContact CB-CB 4.17Å; L187-N210 VanDerWaalsContact CB-OD1 3.24Å; L187-N210 WeakPolarHBondContact CB-OD1 3.35Å; L187-N210 PolarHBondContact N-OD1 3.33Å; L187-L211 WeakPolarHBondContact O-CA 3.21Å; L187-L211 WeakPolarHBondContact O-CB 3.45Å; L187-L211 PolarHBondContact O-N 3.45Å; L187-F212 HydrophobicContact CB-CE1 4.3Å; L187-F212 WeakPolarHBondContact O-CD1 3.28Å
188E97.9Very high97.8Very high108 Ų10838.7 Ų38.751%0.50521%0.207SC..  trans-86.4159.7161.9-64.7179.9-16100109.6S190 S191 L211E188-S190 PolarHBondContact O-N 3.26Å; E188-S191 WeakPolarHBondContact O-CB 3.29Å; E188-S191 PolarHBondContact O-N 2.98Å; E188-L211 HydrophobicContact CG-CB 4.4Å; E188-L211 HydrophobicContact CG-CD1 4.39Å
189L97Very high97.7Very high38 Ų3842.2 Ų42.220%0.19923%0.225CC..G310 helixtrans-58.9-38.7178.2-175.567.7000111.8S191 I192 F212 K216 L220L189-S191 PolarHBondContact O-N 3.27Å; L189-I192 WeakPolarHBondContact O-CB 3.46Å; L189-I192 PolarHBondContact O-N 3.12Å; L189-F212 HydrophobicContact CB-CB 3.98Å; L189-F212 HydrophobicContact CB-CD1 4.47Å; L189-F212 HydrophobicContact CB-CD2 4.46Å; L189-F212 HydrophobicContact CB-CG 4.07Å; L189-F212 HydrophobicContact CD1-CD2 3.86Å; L189-F212 HydrophobicContact CD1-CE2 4.09Å; L189-F212 HydrophobicContact CD1-CG 4.31Å; L189-K216 HydrophobicContact CD1-CB 4.39Å; L189-K216 HydrophobicContact CD2-CB 3.82Å; L189-K216 HydrophobicContact CD2-CD 4.41Å; L189-L220 HydrophobicContact CD1-CD1 3.87Å; L189-L220 HydrophobicContact CD1-CD2 4.27Å; L189-L220 HydrophobicContact CD1-CG 4.04Å; L189-L220 HydrophobicContact CG-CD2 4.18Å; L189-L220 HydrophobicContact CG-CG 4.49Å
190S96.1Very high97.6Very high100 Ų10041.5 Ų41.570%0.69922%0.221SC*.G310 helixtrans-64.3-23.3176.150.10000113.6E188 I192E188-S190 PolarHBondContact O-N 3.26Å; S190-I192 VanDerWaalsContact C-N 3.3Å
191S95.7Very high97.5Very high36 Ų3645.5 Ų45.525%0.25224%0.239SC..G310 helixtrans-81.5-7.7177.5-630000113.1S165 E188 L189 P193S165-S191 WeakPolarHBondContact O-CB 3.48Å; S165-S191 PolarHBondContact O-OG 3.2Å; S165-S191 VanDerWaalsContact O-OG 3.04Å; E188-S191 WeakPolarHBondContact O-CB 3.29Å; E188-S191 PolarHBondContact O-N 2.98Å; L189-S191 PolarHBondContact O-N 3.27Å; S191-P193 VanDerWaalsContact O-CD 3.24Å; S191-P193 WeakPolarHBondContact O-CD 3.35Å
192I97.4Very high97.4Very high7 Ų742.3 Ų42.34%0.03623%0.227CC..SBendtrans-83.5113.3176.8-55.9-55.3000109.1L167 L187 L189 S190 E194 F205 F212 L217 L220L167-I192 HydrophobicContact CD2-CD1 4.44Å; L187-I192 HydrophobicContact CB-CD1 4.14Å; L187-I192 HydrophobicContact CD1-CD1 3.82Å; L187-I192 HydrophobicContact CD2-CD1 4.46Å; L187-I192 HydrophobicContact CG-CD1 4.37Å; L189-I192 WeakPolarHBondContact O-CB 3.46Å; L189-I192 PolarHBondContact O-N 3.12Å; S190-I192 VanDerWaalsContact C-N 3.3Å; I192-E194 PolarHBondContact O-N 2.92Å; I192-F205 HydrophobicContact CD1-CZ 4.27Å; I192-F205 HydrophobicContact CG2-CE1 3.94Å; I192-F205 HydrophobicContact CG2-CZ 4.1Å; I192-F212 HydrophobicContact CD1-CE1 4.35Å; I192-F212 HydrophobicContact CD1-CZ 4.46Å; I192-F212 HydrophobicContact CG1-CE1 4.27Å; I192-F212 HydrophobicContact CG1-CZ 4.25Å; I192-L217 HydrophobicContact CG2-CD1 4.33Å; I192-L220 HydrophobicContact CB-CD1 3.94Å; I192-L220 HydrophobicContact CG2-CD1 3.89Å
193P97.6Very high97.3Very high20 Ų2042.9 Ų42.913%0.1323%0.231CC..  trans-70124.9176.8-15.931.4000110.8L167 A169 S191 S195 I196L167-P193 HydrophobicContact CG-CG 4.44Å; L167-P193 WeakPolarHBondContact O-CG 3.31Å; A169-P193 HydrophobicContact CB-CB 3.78Å; A169-P193 HydrophobicContact CB-CG 4.2Å; S191-P193 VanDerWaalsContact O-CD 3.24Å; S191-P193 WeakPolarHBondContact O-CD 3.35Å; P193-S195 PolarHBondContact O-N 3.2Å; P193-S195 VanDerWaalsContact O-N 3.17Å; P193-I196 HydrophobicContact CB-CD1 4.48Å; P193-I196 HydrophobicContact CB-CG1 4.32Å; P193-I196 HydrophobicContact CG-CD1 4.14Å; P193-I196 HydrophobicContact CG-CG1 4.5Å; P193-I196 WeakPolarHBondContact O-CB 3.3Å; P193-I196 PolarHBondContact O-N 3.15Å
194E97.6Very high97.3Very high83 Ų8343.2 Ų43.239%0.38823%0.234SC..Hα-helixtrans-60.8-26.4179.2-64-178.9144.700112.4I192 I196 L197 A198 L220 E221I192-E194 PolarHBondContact O-N 2.92Å; E194-I196 PolarHBondContact O-N 3.45Å; E194-L197 CarbonylContact O-C 3.55Å; E194-L197 WeakPolarHBondContact O-CA 3.46Å; E194-L197 WeakPolarHBondContact O-CB 3.23Å; E194-L197 PolarHBondContact O-N 3.43Å; E194-A198 WeakPolarHBondContact O-CB 3.39Å; E194-A198 PolarHBondContact O-N 2.66Å; E194-L220 HydrophobicContact CG-CB 4.5Å; E194-E221 HydrophobicContact CB-CB 4.39Å; E194-E221 HydrophobicContact CG-CB 4.31Å; E194-E221 WeakPolarHBondContact OE1-CB 3.46Å; E194-E221 PolarHBondContact OE1-N 3.06Å; E194-E221 VanDerWaalsContact OE1-N 3.1Å
195S97.9Very high97.2Very high19 Ų1938.5 Ų38.513%0.13321%0.212CC..Hα-helixtrans-59.1-27.6173.763.40000113.1A169 S172 P193 L197 E199 S200A169-S195 PolarHBondContact O-OG 3.02Å; S172-S195 WeakPolarHBondContact CB-O 3.35Å; P193-S195 PolarHBondContact O-N 3.2Å; P193-S195 VanDerWaalsContact O-N 3.17Å; S195-L197 VanDerWaalsContact C-N 3.27Å; S195-L197 PolarHBondContact O-N 3.18Å; S195-E199 WeakPolarHBondContact O-CA 3.48Å; S195-E199 WeakPolarHBondContact O-CB 3.46Å; S195-E199 PolarHBondContact O-N 3.48Å; S195-S200 PolarHBondContact O-N 3.15Å
196I97.3Very high97.1Very high1 Ų139.1 Ų39.11%0.00522%0.217CC..Hα-helixtrans-64.4-36.8172.4-61-178.3000110.2L167 V171 P193 E194 S200 V202 F205 R229L167-I196 HydrophobicContact CD2-CD1 3.52Å; L167-I196 HydrophobicContact CG-CD1 3.95Å; V171-I196 HydrophobicContact CB-CD1 3.92Å; V171-I196 HydrophobicContact CB-CG1 4.27Å; V171-I196 HydrophobicContact CG1-CD1 3.91Å; V171-I196 HydrophobicContact CG1-CG1 4.3Å; P193-I196 HydrophobicContact CB-CD1 4.48Å; P193-I196 HydrophobicContact CB-CG1 4.32Å; P193-I196 HydrophobicContact CG-CD1 4.14Å; P193-I196 HydrophobicContact CG-CG1 4.5Å; P193-I196 WeakPolarHBondContact O-CB 3.3Å; P193-I196 PolarHBondContact O-N 3.15Å; E194-I196 PolarHBondContact O-N 3.45Å; I196-S200 VanDerWaalsContact O-CB 3.3Å; I196-S200 WeakPolarHBondContact O-CB 3.44Å; I196-S200 PolarHBondContact O-OG 3.36Å; I196-V202 HydrophobicContact CG2-CG2 4.49Å; I196-F205 HydrophobicContact CG2-CE1 4.49Å; I196-F205 HydrophobicContact CG2-CZ 4.48Å; I196-R229 PolarHBondContact O-NH2 3.17Å
197L97.5Very high97.1Very high0 Ų036.9 Ų36.90%020%0.201CC..Hα-helixtrans-82.6-43.4178.9-53.9-179.9000111.6E194 S195 F205 L220 G222 Y226 R229E194-L197 CarbonylContact O-C 3.55Å; E194-L197 WeakPolarHBondContact O-CA 3.46Å; E194-L197 WeakPolarHBondContact O-CB 3.23Å; E194-L197 PolarHBondContact O-N 3.43Å; S195-L197 VanDerWaalsContact C-N 3.27Å; S195-L197 PolarHBondContact O-N 3.18Å; L197-F205 HydrophobicContact CD2-CD1 3.86Å; L197-F205 HydrophobicContact CD2-CE1 4.09Å; L197-L220 HydrophobicContact CD1-CB 3.68Å; L197-L220 HydrophobicContact CD1-CD1 3.97Å; L197-L220 HydrophobicContact CD1-CG 4.48Å; L197-G222 CarbonylContact C-O 3.18Å; L197-Y226 HydrophobicContact CD2-CD1 4.3Å; L197-Y226 HydrophobicContact CD2-CG 4.04Å; L197-R229 VanDerWaalsContact O-CZ 3.27Å; L197-R229 PolarHBondContact O-NH1 3.37Å; L197-R229 PolarHBondContact O-NH2 2.65Å
198A96.9Very high97.1Very high20 Ų2042.8 Ų42.817%0.16523%0.229CC..Hα-helixtrans-83.6-39.3-171.500000114.6E194 K225E194-A198 WeakPolarHBondContact O-CB 3.39Å; E194-A198 PolarHBondContact O-N 2.66Å; A198-K225 WeakPolarHBondContact O-CD 3.19Å
199E96.5Very high97.1Very high151 Ų15140.1 Ų40.171%0.70623%0.231SC*.THydrogen-bonded Turntrans-119.5-20.8-164.2-62.9173.8-137.600113.5S195S195-E199 WeakPolarHBondContact O-CA 3.48Å; S195-E199 WeakPolarHBondContact O-CB 3.46Å; S195-E199 PolarHBondContact O-N 3.48Å
200S96.5Very high97.1Very high6 Ų639.1 Ų39.14%0.04223%0.226CC..  trans-77.4169-175.991.90000114.1S195 I196 V202 R229S195-S200 PolarHBondContact O-N 3.15Å; I196-S200 VanDerWaalsContact O-CB 3.3Å; I196-S200 WeakPolarHBondContact O-CB 3.44Å; I196-S200 PolarHBondContact O-OG 3.36Å; S200-V202 WeakPolarHBondContact OG-CB 3.3Å; S200-V202 WeakPolarHBondContact OG-CG2 3.41Å; S200-V202 PolarHBondContact OG-N 3.23Å; S200-R229 PolarHBondContact O-NE 2.99Å
201Q95.5Very high97.2Very high87 Ų8739.8 Ų39.841%0.40722%0.221SC..  trans-91.52.2171.8-66.5-174.46400114P175 L177 K178 S203P175-Q201 PolarHBondContact O-NE2 3.08Å; L177-Q201 CarbonylContact O-C 3.15Å; K178-Q201 HydrophobicContact CD-CB 4.33Å; K178-Q201 VanDerWaalsContact CD-O 3.31Å; K178-Q201 WeakPolarHBondContact CD-O 3.44Å; Q201-S203 PolarHBondContact O-N 3.43Å
202V97.4Very high97.3Very high2 Ų239.2 Ų39.21%0.01221%0.214CC..  trans-65.1124.7-179.1179.90000109L177 L180 I196 S200 L204 F205 R229L177-V202 HydrophobicContact CD2-CG2 4.01Å; L177-V202 HydrophobicContact CG-CG2 4.09Å; L180-V202 HydrophobicContact CB-CG1 4.16Å; I196-V202 HydrophobicContact CG2-CG2 4.49Å; S200-V202 WeakPolarHBondContact OG-CB 3.3Å; S200-V202 WeakPolarHBondContact OG-CG2 3.41Å; S200-V202 PolarHBondContact OG-N 3.23Å; V202-L204 WeakPolarHBondContact CG1-O 3.38Å; V202-F205 HydrophobicContact CG1-CB 3.96Å; V202-R229 PolarHBondContact O-NE 3.29Å; V202-R229 PolarHBondContact O-NH2 3.19Å
203S96.6Very high97.3Very high11 Ų1143.8 Ų43.88%0.07724%0.235CC..SBendtrans-114.1-15.3177.861.70000113.1K178 Q201 F230 T233K178-S203 PolarHBondContact O-N 3.04Å; Q201-S203 PolarHBondContact O-N 3.43Å; S203-F230 VanDerWaalsContact O-CA 3.25Å; S203-F230 WeakPolarHBondContact O-CA 3.47Å; S203-F230 WeakPolarHBondContact O-CB 3.45Å; S203-F230 VanDerWaalsContact O-CD2 3.28Å; S203-F230 WeakPolarHBondContact O-CD2 3.34Å; S203-T233 WeakPolarHBondContact CB-OG1 3.48Å; S203-T233 PolarHBondContact OG-OG1 3.12Å
204L97.3Very high97.1Very high51 Ų5145.8 Ų45.827%0.26725%0.247SC..EExtended strand (participates in β ladder)trans-126.5108.9169-166.7169.9000108K178 V179 L180 V202 S206K178-L204 PolarHBondContact O-N 3.32Å; V179-L204 WeakPolarHBondContact CA-O 3.45Å; V179-L204 HydrophobicContact CB-CB 4.43Å; V179-L204 HydrophobicContact CG1-CB 4.18Å; V179-L204 HydrophobicContact CG1-CD1 4.2Å; V179-L204 HydrophobicContact CG1-CD2 4.08Å; V179-L204 HydrophobicContact CG1-CG 4.37Å; V179-L204 HydrophobicContact CG2-CB 4.12Å; L180-L204 PolarHBondContact N-O 2.74Å; V202-L204 WeakPolarHBondContact CG1-O 3.38Å; L204-S206 VanDerWaalsContact CD2-OG 3.25Å; L204-S206 WeakPolarHBondContact CD2-OG 3.38Å
205F97.4Very high97Very high10 Ų1048.2 Ų48.24%0.04426%0.256CS..EExtended strand (participates in β ladder)trans-119.8100.6177.8-175.2-144000109.5L167 L180 L182 I192 I196 L197 V202 V207 L217 Y226L167-F205 HydrophobicContact CD2-CZ 4.49Å; L180-F205 HydrophobicContact CB-CD2 4.2Å; L180-F205 HydrophobicContact CD2-CD2 3.95Å; L180-F205 HydrophobicContact CD2-CE2 3.75Å; L180-F205 HydrophobicContact CG-CD2 4.12Å; L180-F205 HydrophobicContact CG-CE2 4.21Å; L180-F205 WeakPolarHBondContact O-CA 3.43Å; L182-F205 HydrophobicContact CD1-CE2 3.95Å; I192-F205 HydrophobicContact CD1-CZ 4.27Å; I192-F205 HydrophobicContact CG2-CE1 3.94Å; I192-F205 HydrophobicContact CG2-CZ 4.1Å; I196-F205 HydrophobicContact CG2-CE1 4.49Å; I196-F205 HydrophobicContact CG2-CZ 4.48Å; L197-F205 HydrophobicContact CD2-CD1 3.86Å; L197-F205 HydrophobicContact CD2-CE1 4.09Å; V202-F205 HydrophobicContact CG1-CB 3.96Å; F205-V207 HydrophobicContact CD1-CG1 4.16Å; F205-V207 HydrophobicContact CD2-CG1 3.89Å; F205-V207 HydrophobicContact CE1-CG1 3.73Å; F205-V207 HydrophobicContact CE2-CG1 3.42Å; F205-V207 VanDerWaalsContact CE2-CG1 3.42Å; F205-V207 HydrophobicContact CG-CG1 4.24Å; F205-V207 HydrophobicContact CZ-CG1 3.34Å; F205-L217 HydrophobicContact CD1-CD2 4.38Å; F205-L217 HydrophobicContact CE1-CD1 4.4Å; F205-Y226 HydrophobicContact CB-CD2 4.48Å; F205-Y226 HydrophobicContact CB-CE2 3.64Å; F205-Y226 PolarHBondContact N-OH 3.35Å; F205-Y226 PolarHBondContact O-OH 3.49Å
206S97.3Very high96.9Very high21 Ų2151.3 Ų51.315%0.14727%0.267CS..EExtended strand (participates in β ladder)trans-95.1122178.9-620000110.5L180 L182 E183 L204L180-S206 PolarHBondContact O-N 3.26Å; L182-S206 CarbonylContact C-O 3.44Å; L182-S206 WeakPolarHBondContact CA-O 3.41Å; L182-S206 PolarHBondContact N-O 2.89Å; E183-S206 WeakPolarHBondContact OE1-CB 3.36Å; E183-S206 PolarHBondContact OE1-OG 3.33Å; E183-S206 VanDerWaalsContact OE1-OG 3.12Å; L204-S206 VanDerWaalsContact CD2-OG 3.25Å; L204-S206 WeakPolarHBondContact CD2-OG 3.38Å
207V97.7Very high96.8Very high3 Ų351.6 Ų51.62%0.01827%0.269CS..  trans-134.518.8-177.6-65.90000112.7L182 F205 N210 F212 V214 L217L182-V207 HydrophobicContact CB-CG1 4.42Å; F205-V207 HydrophobicContact CD1-CG1 4.16Å; F205-V207 HydrophobicContact CD2-CG1 3.89Å; F205-V207 HydrophobicContact CE1-CG1 3.73Å; F205-V207 HydrophobicContact CE2-CG1 3.42Å; F205-V207 VanDerWaalsContact CE2-CG1 3.42Å; F205-V207 HydrophobicContact CG-CG1 4.24Å; F205-V207 HydrophobicContact CZ-CG1 3.34Å; V207-N210 PolarHBondContact O-ND2 3.03Å; V207-F212 HydrophobicContact CB-CZ 3.95Å; V207-F212 HydrophobicContact CG2-CE2 4.18Å; V207-F212 HydrophobicContact CG2-CZ 3.8Å; V207-V214 HydrophobicContact CG2-CG1 4.48Å; V207-L217 HydrophobicContact CG2-CD2 4.14Å
208E98Very high96.7Very high124 Ų12459.9 Ų59.958%0.57930%0.3SS*.THydrogen-bonded Turntrans-62.6144.7-179.5-59.2-176.7178.400111.4E183 E184 V214E183-E208 CarbonylContact C-O 3.3Å; E183-E208 WeakPolarHBondContact CA-O 3.29Å; E183-E208 WeakPolarHBondContact CB-O 3.37Å; E183-E208 HydrophobicContact CG-CB 4.28Å; E184-E208 PolarHBondContact N-O 2.57Å; E208-V214 HydrophobicContact CG-CG2 4.23Å
209G97.5Very high96.6Very high53 Ų5365.7 Ų65.755%0.54632%0.324SS..THydrogen-bonded Turntrans73.623.7179.500000115.5E184E184-G209 WeakPolarHBondContact CA-O 3.38Å
210N98.4Very high96.6Very high16 Ų1659.7 Ų59.79%0.08630%0.296CS..SBendtrans-92.7-179167.9-79.6-80.5000111.9L182 N185 L187 V207 F212L182-N210 PolarHBondContact O-ND2 3.18Å; N185-N210 WeakPolarHBondContact CA-OD1 3.49Å; N185-N210 WeakPolarHBondContact CB-OD1 3.37Å; N185-N210 PolarHBondContact O-OD1 3.37Å; L187-N210 HydrophobicContact CB-CB 4.17Å; L187-N210 VanDerWaalsContact CB-OD1 3.24Å; L187-N210 WeakPolarHBondContact CB-OD1 3.35Å; L187-N210 PolarHBondContact N-OD1 3.33Å; V207-N210 PolarHBondContact O-ND2 3.03Å; N210-F212 HydrophobicContact CB-CD1 3.84Å; N210-F212 HydrophobicContact CB-CE1 3.54Å; N210-F212 HydrophobicContact CB-CZ 4.36Å; N210-F212 PolarHBondContact O-N 2.87Å
211L97.8Very high96.7Very high115 Ų11566 Ų6660%0.60233%0.325SS*.SBendtrans-78.429.8-176.8-54.9177.4000113.3C186 L187 E188C186-L211 HydrophobicContact CB-CD1 4.28Å; C186-L211 WeakPolarHBondContact O-CD1 3.24Å; L187-L211 WeakPolarHBondContact O-CA 3.21Å; L187-L211 WeakPolarHBondContact O-CB 3.45Å; L187-L211 PolarHBondContact O-N 3.45Å; E188-L211 HydrophobicContact CG-CB 4.4Å; E188-L211 HydrophobicContact CG-CD1 4.39Å
212F97.6Very high96.7Very high24 Ų2462.7 Ų62.711%0.10531%0.314CS..SBendtrans-149.5155.4175.465.5-86.2000111.3L187 L189 I192 V207 N210 V214 L217L187-F212 HydrophobicContact CB-CE1 4.3Å; L187-F212 WeakPolarHBondContact O-CD1 3.28Å; L189-F212 HydrophobicContact CB-CB 3.98Å; L189-F212 HydrophobicContact CB-CD1 4.47Å; L189-F212 HydrophobicContact CB-CD2 4.46Å; L189-F212 HydrophobicContact CB-CG 4.07Å; L189-F212 HydrophobicContact CD1-CD2 3.86Å; L189-F212 HydrophobicContact CD1-CE2 4.09Å; L189-F212 HydrophobicContact CD1-CG 4.31Å; I192-F212 HydrophobicContact CD1-CE1 4.35Å; I192-F212 HydrophobicContact CD1-CZ 4.46Å; I192-F212 HydrophobicContact CG1-CE1 4.27Å; I192-F212 HydrophobicContact CG1-CZ 4.25Å; V207-F212 HydrophobicContact CB-CZ 3.95Å; V207-F212 HydrophobicContact CG2-CE2 4.18Å; V207-F212 HydrophobicContact CG2-CZ 3.8Å; N210-F212 HydrophobicContact CB-CD1 3.84Å; N210-F212 HydrophobicContact CB-CE1 3.54Å; N210-F212 HydrophobicContact CB-CZ 4.36Å; N210-F212 PolarHBondContact O-N 2.87Å; F212-V214 PolarHBondContact O-N 2.86Å; F212-L217 HydrophobicContact CE2-CD1 4.36Å
213E96.2Very high96.7Very high103 Ų10364.7 Ų64.748%0.48132%0.321SS..  trans-73.3120.4172.9-64.8175.6-171.200109.7K215 K216E213-K215 HydrophobicContact CB-CG 4.22Å; E213-K215 PolarHBondContact O-N 3.15Å; E213-K215 WeakPolarHBondContact OE2-CE 3.3Å; E213-K215 IonicContact OE2-NZ 2.75Å; E213-K215 PolarHBondContact OE2-NZ 3.4Å; E213-K216 HydrophobicContact CB-CD 4.47Å; E213-K216 HydrophobicContact CB-CG 4.27Å; E213-K216 VanDerWaalsContact O-CB 3.3Å; E213-K216 WeakPolarHBondContact O-CB 3.25Å; E213-K216 PolarHBondContact O-N 3.22Å
214V93.9Very high96.7Very high61 Ų6171.5 Ų71.537%0.3735%0.352SS..G310 helixtrans-54-30.1-174.3179.40000113.4V207 E208 F212 K216 L217V207-V214 HydrophobicContact CG2-CG1 4.48Å; E208-V214 HydrophobicContact CG-CG2 4.23Å; F212-V214 PolarHBondContact O-N 2.86Å; V214-K216 PolarHBondContact O-N 3.15Å; V214-L217 WeakPolarHBondContact O-CB 3.15Å; V214-L217 PolarHBondContact O-N 3.2Å
215K94.9Very high96.7Very high134 Ų13474.6 Ų74.658%0.58336%0.364SS*.G310 helixtrans-61.6-25.8175.464178.5176.2-1750113.6E213 L217 R218E213-K215 HydrophobicContact CB-CG 4.22Å; E213-K215 PolarHBondContact O-N 3.15Å; E213-K215 WeakPolarHBondContact OE2-CE 3.3Å; E213-K215 IonicContact OE2-NZ 2.75Å; E213-K215 PolarHBondContact OE2-NZ 3.4Å; K215-L217 PolarHBondContact O-N 3.27Å; K215-R218 WeakPolarHBondContact O-CB 3.48Å; K215-R218 VanDerWaalsContact O-CG 3.25Å; K215-R218 WeakPolarHBondContact O-CG 3.09Å; K215-R218 PolarHBondContact O-N 3.24Å
216K96.1Very high96.7Very high85 Ų8574.9 Ų74.937%0.3736%0.364SS..G310 helixtrans-69.9-15.7175.5-64-173.9175.7-175.40112.8L189 E213 V214 R218 E219L189-K216 HydrophobicContact CD1-CB 4.39Å; L189-K216 HydrophobicContact CD2-CB 3.82Å; L189-K216 HydrophobicContact CD2-CD 4.41Å; E213-K216 HydrophobicContact CB-CD 4.47Å; E213-K216 HydrophobicContact CB-CG 4.27Å; E213-K216 VanDerWaalsContact O-CB 3.3Å; E213-K216 WeakPolarHBondContact O-CB 3.25Å; E213-K216 PolarHBondContact O-N 3.22Å; V214-K216 PolarHBondContact O-N 3.15Å; K216-R218 PolarHBondContact O-N 3.33Å; K216-R218 VanDerWaalsContact O-N 3.09Å; K216-E219 VanDerWaalsContact O-CB 3.31Å; K216-E219 WeakPolarHBondContact O-CB 3.24Å; K216-E219 PolarHBondContact O-N 2.99Å
217L95Very high96.6Very high7 Ų776.6 Ų76.64%0.03737%0.371CS..G310 helixtrans-58.1-24.7172.5-163.273.7000112I192 F205 V207 F212 V214 K215 E219 L220 Y223I192-L217 HydrophobicContact CG2-CD1 4.33Å; F205-L217 HydrophobicContact CD1-CD2 4.38Å; F205-L217 HydrophobicContact CE1-CD1 4.4Å; V207-L217 HydrophobicContact CG2-CD2 4.14Å; F212-L217 HydrophobicContact CE2-CD1 4.36Å; V214-L217 WeakPolarHBondContact O-CB 3.15Å; V214-L217 PolarHBondContact O-N 3.2Å; K215-L217 PolarHBondContact O-N 3.27Å; L217-E219 PolarHBondContact O-N 2.99Å; L217-L220 HydrophobicContact CD1-CD1 3.83Å; L217-L220 PolarHBondContact O-N 3.13Å; L217-Y223 HydrophobicContact CB-CD2 4.48Å; L217-Y223 HydrophobicContact CB-CE2 4.35Å; L217-Y223 HydrophobicContact CD2-CD2 4.39Å; L217-Y223 HydrophobicContact CD2-CE2 4.14Å; L217-Y223 HydrophobicContact CG-CD2 4.13Å; L217-Y223 HydrophobicContact CG-CE2 4.23Å; L217-Y223 WeakPolarHBondContact O-CD2 3.38Å
218R96.1Very high96.5Very high173 Ų17382.8 Ų82.865%0.65340%0.4SS*.G310 helixtrans-66.2-19.7175.9-60.3179.3178.2-176.42.7114K215 K216 Y223K215-R218 WeakPolarHBondContact O-CB 3.48Å; K215-R218 VanDerWaalsContact O-CG 3.25Å; K215-R218 WeakPolarHBondContact O-CG 3.09Å; K215-R218 PolarHBondContact O-N 3.24Å; K216-R218 PolarHBondContact O-N 3.33Å; K216-R218 VanDerWaalsContact O-N 3.09Å; R218-Y223 HydrophobicContact CB-CD1 4.18Å; R218-Y223 HydrophobicContact CB-CE1 4.08Å; R218-Y223 HydrophobicContact CG-CD1 4.17Å; R218-Y223 HydrophobicContact CG-CE1 3.56Å; R218-Y223 HydrophobicContact CG-CE2 4.11Å
219E95.6Very high96.4Very high142 Ų14279.3 Ų79.366%0.66438%0.381SS*.G310 helixtrans-85.5-15-177.6-58.9165.9-16300111.9K216 L217K216-E219 VanDerWaalsContact O-CB 3.31Å; K216-E219 WeakPolarHBondContact O-CB 3.24Å; K216-E219 PolarHBondContact O-N 2.99Å; L217-E219 PolarHBondContact O-N 2.99Å
220L96.9Very high96.2Very high26 Ų2680.2 Ų80.214%0.13637%0.37CS..SBendtrans-77.6146.7-179.7-65-175.6000112.5L189 I192 E194 L197 L217 G222 Y223L189-L220 HydrophobicContact CD1-CD1 3.87Å; L189-L220 HydrophobicContact CD1-CD2 4.27Å; L189-L220 HydrophobicContact CD1-CG 4.04Å; L189-L220 HydrophobicContact CG-CD2 4.18Å; L189-L220 HydrophobicContact CG-CG 4.49Å; I192-L220 HydrophobicContact CB-CD1 3.94Å; I192-L220 HydrophobicContact CG2-CD1 3.89Å; E194-L220 HydrophobicContact CG-CB 4.5Å; L197-L220 HydrophobicContact CD1-CB 3.68Å; L197-L220 HydrophobicContact CD1-CD1 3.97Å; L197-L220 HydrophobicContact CD1-CG 4.48Å; L217-L220 HydrophobicContact CD1-CD1 3.83Å; L217-L220 PolarHBondContact O-N 3.13Å; L220-G222 PolarHBondContact O-N 3.02Å; L220-Y223 WeakPolarHBondContact O-CB 3.39Å; L220-Y223 PolarHBondContact O-N 3.44Å
221E96.9Very high95.9Very high139 Ų13982.2 Ų82.265%0.6538%0.383SS*.THydrogen-bonded Turntrans-61.1139.3175.6-164.7178.315700111.1E194 Y223E194-E221 HydrophobicContact CB-CB 4.39Å; E194-E221 HydrophobicContact CG-CB 4.31Å; E194-E221 WeakPolarHBondContact OE1-CB 3.46Å; E194-E221 PolarHBondContact OE1-N 3.06Å; E194-E221 VanDerWaalsContact OE1-N 3.1Å; E221-Y223 VanDerWaalsContact C-N 3.32Å; E221-Y223 PolarHBondContact O-N 2.78Å
222G96.8Very high95.5Very high16 Ų1679.3 Ų79.317%0.16538%0.375CS..THydrogen-bonded Turntrans82.4-1179.700000115.4L197 L220 E224 K225 Y226L197-G222 CarbonylContact C-O 3.18Å; L220-G222 PolarHBondContact O-N 3.02Å; G222-E224 VanDerWaalsContact C-N 3.29Å; G222-E224 PolarHBondContact O-N 2.81Å; G222-K225 WeakPolarHBondContact O-CB 3.31Å; G222-K225 PolarHBondContact O-N 3.02Å; G222-K225 VanDerWaalsContact O-N 3.15Å; G222-Y226 PolarHBondContact O-N 3.37Å
223Y97.1Very high94.9Very high44 Ų4480.3 Ų80.317%0.17338%0.384CS..Hα-helixtrans-55.3-41.2177.6-179.7-97.2000113.1L217 R218 L220 E221 K225 Y226 M227L217-Y223 HydrophobicContact CB-CD2 4.48Å; L217-Y223 HydrophobicContact CB-CE2 4.35Å; L217-Y223 HydrophobicContact CD2-CD2 4.39Å; L217-Y223 HydrophobicContact CD2-CE2 4.14Å; L217-Y223 HydrophobicContact CG-CD2 4.13Å; L217-Y223 HydrophobicContact CG-CE2 4.23Å; L217-Y223 WeakPolarHBondContact O-CD2 3.38Å; R218-Y223 HydrophobicContact CB-CD1 4.18Å; R218-Y223 HydrophobicContact CB-CE1 4.08Å; R218-Y223 HydrophobicContact CG-CD1 4.17Å; R218-Y223 HydrophobicContact CG-CE1 3.56Å; R218-Y223 HydrophobicContact CG-CE2 4.11Å; L220-Y223 WeakPolarHBondContact O-CB 3.39Å; L220-Y223 PolarHBondContact O-N 3.44Å; E221-Y223 VanDerWaalsContact C-N 3.32Å; E221-Y223 PolarHBondContact O-N 2.78Å; Y223-K225 PolarHBondContact O-N 2.94Å; Y223-Y226 HydrophobicContact CD2-CD1 4.27Å; Y223-Y226 HydrophobicContact CE2-CD1 4.22Å; Y223-Y226 WeakPolarHBondContact O-CB 3.46Å; Y223-Y226 PolarHBondContact O-N 2.96Å; Y223-M227 HydrophobicContact CD1-CG 3.86Å; Y223-M227 HydrophobicContact CE1-CG 3.28Å; Y223-M227 HydrophobicContact CE1-SD 4.16Å; Y223-M227 HydrophobicContact CE2-CG 4.1Å; Y223-M227 HydrophobicContact CE2-SD 4.31Å; Y223-M227 HydrophobicContact CG-CG 4.48Å; Y223-M227 VanDerWaalsContact CZ-CG 3.43Å; Y223-M227 PolarHBondContact O-N 2.92Å; Y223-M227 PolarHBondContact OH-SD 3.36Å; Y223-M227 VanDerWaalsContact OH-SD 3.42Å
224E96.6Very high93.9Very high155 Ų15581.8 Ų81.872%0.72439%0.389SS*.Hα-helixtrans-62.1-43.9177.8-65-140.915800112.1G222 Y226 M227 E228G222-E224 VanDerWaalsContact C-N 3.29Å; G222-E224 PolarHBondContact O-N 2.81Å; E224-Y226 VanDerWaalsContact C-N 3.29Å; E224-Y226 PolarHBondContact O-N 3.31Å; E224-M227 PolarHBondContact O-N 3.04Å; E224-M227 VanDerWaalsContact O-N 3.08Å; E224-E228 WeakPolarHBondContact O-CG 3.47Å; E224-E228 PolarHBondContact O-N 3.03Å
225K96.9Very high92.4Very high116 Ų11686.2 Ų86.250%0.50440%0.403SS..Hα-helixtrans-59.4-41.1174.6-65.6-178.7179.4173.30111.3A198 G222 Y223 R229A198-K225 WeakPolarHBondContact O-CD 3.19Å; G222-K225 WeakPolarHBondContact O-CB 3.31Å; G222-K225 PolarHBondContact O-N 3.02Å; G222-K225 VanDerWaalsContact O-N 3.15Å; Y223-K225 PolarHBondContact O-N 2.94Å; K225-R229 VanDerWaalsContact C-NH1 3.35Å; K225-R229 WeakPolarHBondContact O-CG 3.47Å; K225-R229 PolarHBondContact O-N 3.33Å; K225-R229 PolarHBondContact O-NH1 3.05Å
226Y97.1Very high90.7Very high15 Ų1588.3 Ų88.36%0.05941%0.412CS..Hα-helixtrans-61.8-45.7173.3164.1-107.4000111.9L197 F205 G222 Y223 E224 E228 R229 F230L197-Y226 HydrophobicContact CD2-CD1 4.3Å; L197-Y226 HydrophobicContact CD2-CG 4.04Å; F205-Y226 HydrophobicContact CB-CD2 4.48Å; F205-Y226 HydrophobicContact CB-CE2 3.64Å; F205-Y226 PolarHBondContact N-OH 3.35Å; F205-Y226 PolarHBondContact O-OH 3.49Å; G222-Y226 PolarHBondContact O-N 3.37Å; Y223-Y226 HydrophobicContact CD2-CD1 4.27Å; Y223-Y226 HydrophobicContact CE2-CD1 4.22Å; Y223-Y226 WeakPolarHBondContact O-CB 3.46Å; Y223-Y226 PolarHBondContact O-N 2.96Å; E224-Y226 VanDerWaalsContact C-N 3.29Å; E224-Y226 PolarHBondContact O-N 3.31Å; Y226-E228 VanDerWaalsContact C-N 3.33Å; Y226-E228 PolarHBondContact O-N 3.1Å; Y226-R229 WeakPolarHBondContact O-CB 3.46Å; Y226-R229 PolarHBondContact O-N 3.18Å; Y226-R229 VanDerWaalsContact O-N 3.1Å; Y226-F230 HydrophobicContact CE2-CB 4.43Å; Y226-F230 PolarHBondContact O-N 3.05Å
227M96.3Very high88.1Confident57 Ų5792.7 Ų92.728%0.28143%0.431SS..Hα-helixtrans-64.3-34.7-179.8-78.3-56.6-57.700113.4Y223 E224 F230 T231Y223-M227 HydrophobicContact CD1-CG 3.86Å; Y223-M227 HydrophobicContact CE1-CG 3.28Å; Y223-M227 HydrophobicContact CE1-SD 4.16Å; Y223-M227 HydrophobicContact CE2-CG 4.1Å; Y223-M227 HydrophobicContact CE2-SD 4.31Å; Y223-M227 HydrophobicContact CG-CG 4.48Å; Y223-M227 VanDerWaalsContact CZ-CG 3.43Å; Y223-M227 PolarHBondContact O-N 2.92Å; Y223-M227 PolarHBondContact OH-SD 3.36Å; Y223-M227 VanDerWaalsContact OH-SD 3.42Å; E224-M227 PolarHBondContact O-N 3.04Å; E224-M227 VanDerWaalsContact O-N 3.08Å; M227-F230 HydrophobicContact CE-CD1 4Å; M227-F230 PolarHBondContact O-N 2.79Å; M227-F230 HydrophobicContact SD-CD1 4.39Å; M227-T231 VanDerWaalsContact O-CB 3.32Å; M227-T231 WeakPolarHBondContact O-CB 3.48Å; M227-T231 PolarHBondContact O-N 3.2Å; M227-T231 PolarHBondContact O-OG1 3.21Å
228E95.4Very high85.3Confident134 Ų134100.7 Ų100.763%0.62648%0.48SS*.Hα-helixtrans-59.2-48.7169.9-71.5176.8176.600111E224 Y226 T231 A232E224-E228 WeakPolarHBondContact O-CG 3.47Å; E224-E228 PolarHBondContact O-N 3.03Å; Y226-E228 VanDerWaalsContact C-N 3.33Å; Y226-E228 PolarHBondContact O-N 3.1Å; E228-T231 PolarHBondContact O-N 2.97Å; E228-A232 VanDerWaalsContact O-CB 3.29Å; E228-A232 WeakPolarHBondContact O-CB 3.45Å; E228-A232 PolarHBondContact O-N 3.17Å
229R95.6Very high84.8Confident51 Ų5197.1 Ų97.119%0.19247%0.471CS..Hα-helixtrans-61.9-44.4177.1-65.5-170.8-54.9-90.29112.2I196 L197 S200 V202 K225 Y226 T233I196-R229 PolarHBondContact O-NH2 3.17Å; L197-R229 VanDerWaalsContact O-CZ 3.27Å; L197-R229 PolarHBondContact O-NH1 3.37Å; L197-R229 PolarHBondContact O-NH2 2.65Å; S200-R229 PolarHBondContact O-NE 2.99Å; V202-R229 PolarHBondContact O-NE 3.29Å; V202-R229 PolarHBondContact O-NH2 3.19Å; K225-R229 VanDerWaalsContact C-NH1 3.35Å; K225-R229 WeakPolarHBondContact O-CG 3.47Å; K225-R229 PolarHBondContact O-N 3.33Å; K225-R229 PolarHBondContact O-NH1 3.05Å; Y226-R229 WeakPolarHBondContact O-CB 3.46Å; Y226-R229 PolarHBondContact O-N 3.18Å; Y226-R229 VanDerWaalsContact O-N 3.1Å; R229-T233 WeakPolarHBondContact O-CB 3.21Å; R229-T233 PolarHBondContact O-N 3.31Å; R229-T233 VanDerWaalsContact O-N 3.08Å; R229-T233 PolarHBondContact O-OG1 3.2Å
230F93.9Very high84.2Confident72 Ų7294.7 Ų94.732%0.31646%0.461SS..Hα-helixtrans-60.5-48.5177.7175.1-98.8000111.5S203 Y226 M227 T233 K234S203-F230 VanDerWaalsContact O-CA 3.25Å; S203-F230 WeakPolarHBondContact O-CA 3.47Å; S203-F230 WeakPolarHBondContact O-CB 3.45Å; S203-F230 VanDerWaalsContact O-CD2 3.28Å; S203-F230 WeakPolarHBondContact O-CD2 3.34Å; Y226-F230 HydrophobicContact CE2-CB 4.43Å; Y226-F230 PolarHBondContact O-N 3.05Å; M227-F230 HydrophobicContact CE-CD1 4Å; M227-F230 PolarHBondContact O-N 2.79Å; M227-F230 HydrophobicContact SD-CD1 4.39Å; F230-T233 PolarHBondContact O-N 2.76Å; F230-K234 PolarHBondContact O-N 3.04Å
231T91.8Very high83.5Confident57 Ų5798.5 Ų98.535%0.3548%0.479SS..Hα-helixtrans-67-41.9-178.6-54.80000111.9M227 E228 T233 K234 K235M227-T231 VanDerWaalsContact O-CB 3.32Å; M227-T231 WeakPolarHBondContact O-CB 3.48Å; M227-T231 PolarHBondContact O-N 3.2Å; M227-T231 PolarHBondContact O-OG1 3.21Å; E228-T231 PolarHBondContact O-N 2.97Å; T231-T233 VanDerWaalsContact C-N 3.25Å; T231-T233 PolarHBondContact O-N 3.47Å; T231-K234 PolarHBondContact O-N 3.15Å; T231-K235 WeakPolarHBondContact O-CG 3.45Å; T231-K235 PolarHBondContact O-N 3.17Å; T231-K235 VanDerWaalsContact O-N 3.15Å
232A89.4Confident82.7Confident54 Ų5496.1 Ų96.145%0.44647%0.469SS..Hα-helixtrans-61.3-35175.600000112.3E228E228-A232 VanDerWaalsContact O-CB 3.29Å; E228-A232 WeakPolarHBondContact O-CB 3.45Å; E228-A232 PolarHBondContact O-N 3.17Å
233T84.6Confident81.8Confident46 Ų46101.1 Ų101.128%0.28249%0.488SS..Hα-helixtrans-72.5-44.2177-550000111.2S203 R229 F230 T231 K235 K236 F237S203-T233 WeakPolarHBondContact CB-OG1 3.48Å; S203-T233 PolarHBondContact OG-OG1 3.12Å; R229-T233 WeakPolarHBondContact O-CB 3.21Å; R229-T233 PolarHBondContact O-N 3.31Å; R229-T233 VanDerWaalsContact O-N 3.08Å; R229-T233 PolarHBondContact O-OG1 3.2Å; F230-T233 PolarHBondContact O-N 2.76Å; T231-T233 VanDerWaalsContact C-N 3.25Å; T231-T233 PolarHBondContact O-N 3.47Å; T233-K235 VanDerWaalsContact C-N 3.29Å; T233-K235 PolarHBondContact O-N 2.77Å; T233-K236 WeakPolarHBondContact O-CB 3.47Å; T233-K236 PolarHBondContact O-N 3.04Å; T233-F237 HydrophobicContact CG2-CE2 3.99Å; T233-F237 VanDerWaalsContact O-CD2 3.29Å; T233-F237 WeakPolarHBondContact O-CD2 3.22Å
234K74.6Confident80.8Confident134 Ų134104.9 Ų104.958%0.58351%0.509SS*.Hα-helixtrans-60.4-36.9179.2-165.1177.1-178.4178.90112.8F230 T231 K236 F237F230-K234 PolarHBondContact O-N 3.04Å; T231-K234 PolarHBondContact O-N 3.15Å; K234-K236 PolarHBondContact O-N 3.09Å; K234-F237 PolarHBondContact O-N 3.14Å
235K62.9Low79.7Confident153 Ų153101.4 Ų101.467%0.66549%0.494SS*.THydrogen-bonded Turntrans-67.2-15.7176.1-72.3-179.5-179.9-178.80114.7T231 T233 F237T231-K235 WeakPolarHBondContact O-CG 3.45Å; T231-K235 PolarHBondContact O-N 3.17Å; T231-K235 VanDerWaalsContact O-N 3.15Å; T233-K235 VanDerWaalsContact C-N 3.29Å; T233-K235 PolarHBondContact O-N 2.77Å; K235-F237 VanDerWaalsContact C-N 3.31Å
236K58.9Low78.4Confident178 Ų178100.2 Ų100.277%0.77449%0.493SS*.THydrogen-bonded Turntrans-83.7-9175-69.5-178.4177.2-177.80113.2T233 K234T233-K236 WeakPolarHBondContact O-CB 3.47Å; T233-K236 PolarHBondContact O-N 3.04Å; K234-K236 PolarHBondContact O-N 3.09Å
237F42Very low76.8Confident177 Ų177107.3 Ų107.378%0.77653%0.529SS*.  trans-112.18.4-179.4-66.5-76.3000113.2T233 K234 K235T233-F237 HydrophobicContact CG2-CE2 3.99Å; T233-F237 VanDerWaalsContact O-CD2 3.29Å; T233-F237 WeakPolarHBondContact O-CD2 3.22Å; K234-F237 PolarHBondContact O-N 3.14Å; K235-F237 VanDerWaalsContact C-N 3.31Å
238V36.7Very low75Confident175 Ų175111.9 Ų111.9100%1.06155%0.552SS**  trans-120.80173.4-1760000107.9

Retrieved 238 of 238 residues in 390.8 ms (Link to these results)

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