A0A087X3E3_POEFO Loading...

Ubiquitin-conjugating enzyme E2 G2

Accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins. In vitro catalyzes 'Lys-48'-linked polyubiquitination. Involved in endoplasmic reticulum-associated degradation (ERAD). Required for sterol-induced ubiquitination of 3-hydroxy-3-methylglutaryl coenzyme A reductase and its subsequent proteasomal degradation.

AlphaFold DB (A0A3Q2DYW3), UniProt , Accession A0A087X3E3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 165 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
1M45.5Very low87.4Confident238 Ų23876.7 Ų76.7100%1.17243%0.432SS*.  0123.50-76.4-169.3-83.400107.6G3M1-G3 PolarHBondContact O-N 2.89Å
2A62.2Low88.2Confident42 Ų4271.8 Ų71.835%0.34740%0.403SS..  trans-61130.5174.500000110.1L6 K7A2-L6 HydrophobicContact CB-CB 4.36Å; A2-L6 HydrophobicContact CB-CD2 3.74Å; A2-L6 HydrophobicContact CB-CG 4.17Å; A2-K7 HydrophobicContact CB-CG 4.09Å; A2-K7 WeakPolarHBondContact O-CE 3.45Å
3G86.2Confident88.9Confident46 Ų4673 Ų7347%0.47440%0.398SS..  trans-60.4157.717500000111.8M1 A5 L6 K7M1-G3 PolarHBondContact O-N 2.89Å; G3-A5 PolarHBondContact O-N 3.07Å; G3-L6 PolarHBondContact O-N 3.13Å; G3-L6 VanDerWaalsContact O-N 3.11Å; G3-K7 PolarHBondContact O-N 3.34Å; G3-K7 VanDerWaalsContact O-N 3.15Å
4T92.5Very high89.4Confident116 Ų11678.4 Ų78.471%0.71242%0.416SS*.Hα-helixtrans-53.3-41.1-178.4-55.30000112.3K7 R8T4-K7 PolarHBondContact O-N 2.92Å; T4-R8 PolarHBondContact O-N 2.91Å; T4-R8 VanDerWaalsContact O-N 3.09Å
5A95.3Very high89.8Confident7 Ų780.3 Ų80.36%0.05842%0.421CS..Hα-helixtrans-59.7-48.2176.500000112.8G3 K7 R8 L9 F35 Y64G3-A5 PolarHBondContact O-N 3.07Å; A5-K7 PolarHBondContact O-N 3.37Å; A5-R8 WeakPolarHBondContact O-CB 3.39Å; A5-R8 PolarHBondContact O-N 3.42Å; A5-R8 VanDerWaalsContact O-N 3.15Å; A5-L9 WeakPolarHBondContact O-CG 3.44Å; A5-L9 PolarHBondContact O-N 3.4Å; A5-F35 HydrophobicContact CB-CE1 3.73Å; A5-F35 HydrophobicContact CB-CZ 3.87Å; A5-Y64 WeakPolarHBondContact CA-O 3.38Å; A5-Y64 WeakPolarHBondContact CB-O 3.24Å
6L95.9Very high90.2Very high48 Ų4876.1 Ų76.125%0.25140%0.4SS..Hα-helixtrans-60.9-44.1179179.458.7000111.6A2 G3 R8 L9 M10 F34A2-L6 HydrophobicContact CB-CB 4.36Å; A2-L6 HydrophobicContact CB-CD2 3.74Å; A2-L6 HydrophobicContact CB-CG 4.17Å; G3-L6 PolarHBondContact O-N 3.13Å; G3-L6 VanDerWaalsContact O-N 3.11Å; L6-R8 VanDerWaalsContact C-N 3.28Å; L6-R8 PolarHBondContact O-N 2.82Å; L6-L9 PolarHBondContact O-N 3.41Å; L6-M10 HydrophobicContact CD1-CG 4.09Å; L6-M10 HydrophobicContact CD1-SD 4.2Å; L6-M10 HydrophobicContact CG-CG 4.44Å; L6-M10 HydrophobicContact CG-SD 4.07Å; L6-M10 VanDerWaalsContact O-CG 3.27Å; L6-M10 WeakPolarHBondContact O-CG 3.17Å; L6-M10 PolarHBondContact O-N 3.07Å; L6-F34 HydrophobicContact CD1-CB 3.47Å; L6-F34 VanDerWaalsContact CD1-CB 3.47Å; L6-F34 HydrophobicContact CD1-CD1 4.47Å; L6-F34 HydrophobicContact CD1-CD2 4.03Å; L6-F34 HydrophobicContact CD1-CG 3.74Å
7K95.9Very high90.4Very high135 Ų13576.7 Ų76.759%0.58741%0.407SS*.Hα-helixtrans-59.8-40.5176.6-69.1-179.3-179.2176.30112A2 G3 T4 A5 A11A2-K7 HydrophobicContact CB-CG 4.09Å; A2-K7 WeakPolarHBondContact O-CE 3.45Å; G3-K7 PolarHBondContact O-N 3.34Å; G3-K7 VanDerWaalsContact O-N 3.15Å; T4-K7 PolarHBondContact O-N 2.92Å; A5-K7 PolarHBondContact O-N 3.37Å; K7-A11 WeakPolarHBondContact O-CB 3.38Å; K7-A11 PolarHBondContact O-N 3.33Å
8R97.3Very high90.7Very high65 Ų6578.8 Ų78.825%0.24542%0.418CS..Hα-helixtrans-64.8-48.5177.2177.367.3-171.5-98.3-18.3111.3T4 A5 L6 M10 A11 E12 Y64 P65 P112 Q114T4-R8 PolarHBondContact O-N 2.91Å; T4-R8 VanDerWaalsContact O-N 3.09Å; A5-R8 WeakPolarHBondContact O-CB 3.39Å; A5-R8 PolarHBondContact O-N 3.42Å; A5-R8 VanDerWaalsContact O-N 3.15Å; L6-R8 VanDerWaalsContact C-N 3.28Å; L6-R8 PolarHBondContact O-N 2.82Å; R8-M10 PolarHBondContact O-N 2.88Å; R8-A11 PolarHBondContact O-N 3.01Å; R8-E12 IonicContact CZ-OE1 3.93Å; R8-E12 IonicContact NE-OE1 3.85Å; R8-E12 PolarHBondContact NE-OE1 2.96Å; R8-E12 IonicContact NH2-OE1 3.13Å; R8-E12 PolarHBondContact NH2-OE1 3.48Å; R8-E12 PolarHBondContact O-N 3.19Å; R8-Y64 HydrophobicContact CB-CD1 4.44Å; R8-Y64 HydrophobicContact CB-CE1 4.44Å; R8-Y64 HydrophobicContact CG-CD1 3.96Å; R8-Y64 HydrophobicContact CG-CE1 3.56Å; R8-P65 HydrophobicContact CG-CB 4.4Å; R8-P65 HydrophobicContact CG-CG 4.22Å; R8-P112 PolarHBondContact NH1-O 3.12Å; R8-Q114 PolarHBondContact NH2-O 3.11Å
9L97.5Very high90.8Very high0 Ų079.9 Ų79.90%042%0.424CS..Hα-helixtrans-61.6-43.7179.9-69.1164.6000112.2A5 L6 A11 E12 Y13 F34 F35 W37 F60 Y64A5-L9 WeakPolarHBondContact O-CG 3.44Å; A5-L9 PolarHBondContact O-N 3.4Å; L6-L9 PolarHBondContact O-N 3.41Å; L9-A11 VanDerWaalsContact C-N 3.31Å; L9-A11 PolarHBondContact O-N 3.2Å; L9-E12 PolarHBondContact O-N 3.4Å; L9-Y13 WeakPolarHBondContact O-CB 3.37Å; L9-Y13 PolarHBondContact O-N 3.21Å; L9-F34 HydrophobicContact CB-CD1 4.39Å; L9-F35 HydrophobicContact CD1-CD1 3.95Å; L9-F35 HydrophobicContact CD1-CE1 4Å; L9-F35 HydrophobicContact CD1-CG 4.28Å; L9-F35 HydrophobicContact CD1-CZ 4.37Å; L9-W37 HydrophobicContact CB-CZ2 4.48Å; L9-W37 HydrophobicContact CD2-CZ2 4.34Å; L9-F60 HydrophobicContact CD1-CB 4.31Å; L9-F60 HydrophobicContact CD1-CG 4.41Å; L9-F60 HydrophobicContact CD2-CB 4.37Å; L9-F60 HydrophobicContact CD2-CD1 3.42Å; L9-F60 VanDerWaalsContact CD2-CD1 3.42Å; L9-F60 HydrophobicContact CD2-CD2 4.05Å; L9-F60 HydrophobicContact CD2-CE1 3.57Å; L9-F60 HydrophobicContact CD2-CE2 4.19Å; L9-F60 HydrophobicContact CD2-CG 3.67Å; L9-F60 HydrophobicContact CD2-CZ 3.97Å; L9-Y64 HydrophobicContact CD2-CD1 3.73Å; L9-Y64 HydrophobicContact CD2-CE1 3.67Å; L9-Y64 HydrophobicContact CD2-CG 4.49Å; L9-Y64 HydrophobicContact CG-CD1 3.87Å; L9-Y64 HydrophobicContact CG-CE1 4.15Å
10M96.3Very high90.9Very high93 Ų9380.2 Ų80.246%0.45843%0.43SS..Hα-helixtrans-62.1-38.3175.9-68.1176.78400112.3L6 R8 K14 F34L6-M10 HydrophobicContact CD1-CG 4.09Å; L6-M10 HydrophobicContact CD1-SD 4.2Å; L6-M10 HydrophobicContact CG-CG 4.44Å; L6-M10 HydrophobicContact CG-SD 4.07Å; L6-M10 VanDerWaalsContact O-CG 3.27Å; L6-M10 WeakPolarHBondContact O-CG 3.17Å; L6-M10 PolarHBondContact O-N 3.07Å; R8-M10 PolarHBondContact O-N 2.88Å; M10-K14 WeakPolarHBondContact O-CB 3.28Å; M10-K14 PolarHBondContact O-N 3.34Å; M10-F34 HydrophobicContact CB-CE1 4.44Å; M10-F34 HydrophobicContact CG-CD1 3.97Å; M10-F34 HydrophobicContact CG-CE1 3.76Å; M10-F34 HydrophobicContact CG-CG 4.45Å; M10-F34 HydrophobicContact CG-CZ 4.08Å
11A96.7Very high91Very high54 Ų5477.2 Ų77.245%0.44642%0.416SS..Hα-helixtrans-67.4-43.4177.500000111.8K7 R8 L9 K14 Q15K7-A11 WeakPolarHBondContact O-CB 3.38Å; K7-A11 PolarHBondContact O-N 3.33Å; R8-A11 PolarHBondContact O-N 3.01Å; L9-A11 VanDerWaalsContact C-N 3.31Å; L9-A11 PolarHBondContact O-N 3.2Å; A11-K14 PolarHBondContact O-N 3.23Å; A11-Q15 WeakPolarHBondContact O-CG 3.45Å; A11-Q15 PolarHBondContact O-N 3.47Å; A11-Q15 VanDerWaalsContact O-N 3.11Å
12E97.4Very high93.3Very high18 Ų1874.7 Ų74.78%0.08440%0.401CS..Hα-helixtrans-66.2-41.9176.4-70.3-169.2-129.300112.3R8 L9 K14 Q15 L16 Y64 S115 V116R8-E12 IonicContact CZ-OE1 3.93Å; R8-E12 IonicContact NE-OE1 3.85Å; R8-E12 PolarHBondContact NE-OE1 2.96Å; R8-E12 IonicContact NH2-OE1 3.13Å; R8-E12 PolarHBondContact NH2-OE1 3.48Å; R8-E12 PolarHBondContact O-N 3.19Å; L9-E12 PolarHBondContact O-N 3.4Å; E12-K14 VanDerWaalsContact C-N 3.31Å; E12-K14 PolarHBondContact O-N 3.3Å; E12-Q15 PolarHBondContact O-N 2.99Å; E12-Q15 VanDerWaalsContact O-N 3.12Å; E12-L16 PolarHBondContact O-N 2.82Å; E12-Y64 WeakPolarHBondContact OE1-CE1 3.27Å; E12-Y64 PolarHBondContact OE1-OH 3.42Å; E12-Y64 PolarHBondContact OE2-OH 3.3Å; E12-S115 VanDerWaalsContact OE2-CA 3.29Å; E12-S115 WeakPolarHBondContact OE2-CA 3.49Å; E12-S115 WeakPolarHBondContact OE2-CB 3.36Å; E12-V116 WeakPolarHBondContact OE2-CG2 3.38Å; E12-V116 PolarHBondContact OE2-N 2.7Å
13Y97.1Very high94.9Very high87 Ų8773.7 Ų73.734%0.34139%0.394SS..Hα-helixtrans-58.9-43.7175.1176.6-121.4000111.7L9 Q15 L16 T17 F34 W37L9-Y13 WeakPolarHBondContact O-CB 3.37Å; L9-Y13 PolarHBondContact O-N 3.21Å; Y13-Q15 VanDerWaalsContact C-N 3.31Å; Y13-Q15 PolarHBondContact O-N 3.01Å; Y13-L16 PolarHBondContact O-N 3.31Å; Y13-T17 WeakPolarHBondContact O-CB 3.46Å; Y13-T17 PolarHBondContact O-N 2.92Å; Y13-T17 PolarHBondContact O-OG1 3.39Å; Y13-F34 HydrophobicContact CD1-CE1 4.1Å; Y13-F34 HydrophobicContact CD1-CZ 4.48Å; Y13-F34 HydrophobicContact CG-CE1 4.43Å; Y13-W37 HydrophobicContact CD2-CH2 4.3Å; Y13-W37 HydrophobicContact CG-CH2 4.45Å
14K96.4Very high95.4Very high148 Ų14871.8 Ų71.864%0.64337%0.373SS*.Hα-helixtrans-60.7-40.8175.5-176.9178.7177.8-179.50112M10 A11 E12 L18M10-K14 WeakPolarHBondContact O-CB 3.28Å; M10-K14 PolarHBondContact O-N 3.34Å; A11-K14 PolarHBondContact O-N 3.23Å; E12-K14 VanDerWaalsContact C-N 3.31Å; E12-K14 PolarHBondContact O-N 3.3Å; K14-L18 WeakPolarHBondContact O-CB 3.27Å; K14-L18 PolarHBondContact O-N 3.15Å
15Q95.4Very high95.6Very high107 Ų10771.2 Ų71.250%0.537%0.369SS..Hα-helixtrans-66.4-46.8177.7-71.2-61.6-33.300111.6A11 E12 Y13 T17 L18 N19A11-Q15 WeakPolarHBondContact O-CG 3.45Å; A11-Q15 PolarHBondContact O-N 3.47Å; A11-Q15 VanDerWaalsContact O-N 3.11Å; E12-Q15 PolarHBondContact O-N 2.99Å; E12-Q15 VanDerWaalsContact O-N 3.12Å; Y13-Q15 VanDerWaalsContact C-N 3.31Å; Y13-Q15 PolarHBondContact O-N 3.01Å; Q15-T17 VanDerWaalsContact C-N 3.26Å; Q15-T17 PolarHBondContact O-N 3.37Å; Q15-L18 PolarHBondContact O-N 3.41Å; Q15-L18 VanDerWaalsContact O-N 3.13Å; Q15-N19 PolarHBondContact O-N 3.11Å
16L95.4Very high95.7Very high14 Ų1471.7 Ų71.77%0.07337%0.373CS..Hα-helixtrans-61.7-33.8177-78167.7000112.8E12 Y13 N19 P20 P21 W37 V116 E117E12-L16 PolarHBondContact O-N 2.82Å; Y13-L16 PolarHBondContact O-N 3.31Å; L16-N19 CarbonylContact O-C 3.57Å; L16-P20 WeakPolarHBondContact O-CA 3.4Å; L16-P20 WeakPolarHBondContact O-CB 3.46Å; L16-P21 HydrophobicContact CD2-CG 4.2Å; L16-W37 HydrophobicContact CD1-CH2 4.13Å; L16-W37 HydrophobicContact CD1-CZ3 3.59Å; L16-V116 HydrophobicContact CD1-CB 4.09Å; L16-V116 HydrophobicContact CD1-CG1 3.86Å; L16-E117 HydrophobicContact CD2-CB 3.85Å; L16-E117 HydrophobicContact CD2-CG 4.18Å
17T93.9Very high95.8Very high86 Ų8670 Ų7053%0.52837%0.368SS..Hα-helixtrans-73.5-35176.1-54.10000111.8Y13 Q15Y13-T17 WeakPolarHBondContact O-CB 3.46Å; Y13-T17 PolarHBondContact O-N 2.92Å; Y13-T17 PolarHBondContact O-OG1 3.39Å; Q15-T17 VanDerWaalsContact C-N 3.26Å; Q15-T17 PolarHBondContact O-N 3.37Å
18L95.1Very high95.9Very high115 Ų11564.7 Ų64.760%0.60235%0.347SS*.Hα-helixtrans-76.2-41.7-178.9-176.564.8000112K14 Q15K14-L18 WeakPolarHBondContact O-CB 3.27Å; K14-L18 PolarHBondContact O-N 3.15Å; Q15-L18 PolarHBondContact O-N 3.41Å; Q15-L18 VanDerWaalsContact O-N 3.13Å
19N93.7Very high95.7Very high99 Ų9964.2 Ų64.253%0.52936%0.357SS..SBendtrans-132.975.7-178.2-59.8-49.4000109Q15 L16Q15-N19 PolarHBondContact O-N 3.11Å; L16-N19 CarbonylContact O-C 3.57Å
20P91.9Very high95.4Very high85 Ų8567.9 Ų67.955%0.55238%0.376SS*.PPolyproline II helixtrans-69.1132.9179.827.2-33.1000110.3L16L16-P20 WeakPolarHBondContact O-CA 3.4Å; L16-P20 WeakPolarHBondContact O-CB 3.46Å
21P94.3Very high94.8Very high19 Ų1971.9 Ų71.912%0.12339%0.394CS..PPolyproline II helixtrans-63.5143.4170.319.8-24.4000110.6L16 G23 I24 E117 L121L16-P21 HydrophobicContact CD2-CG 4.2Å; P21-G23 PolarHBondContact O-N 3.41Å; P21-I24 HydrophobicContact CB-CB 4.44Å; P21-I24 HydrophobicContact CB-CD1 4.11Å; P21-I24 HydrophobicContact CG-CB 3.96Å; P21-I24 HydrophobicContact CG-CD1 4.06Å; P21-I24 HydrophobicContact CG-CG2 4.21Å; P21-I24 PolarHBondContact O-N 3.29Å; P21-E117 HydrophobicContact CG-CG 4.23Å; P21-L121 HydrophobicContact CB-CD2 4.17Å
22E93.5Very high94.4Very high185 Ų18578.3 Ų78.386%0.86442%0.415SS*.THydrogen-bonded Turntrans-59.2137.4179.4-174.9168.2-161.300110.9I24E22-I24 PolarHBondContact O-N 3.35Å
23G94.8Very high94.2Very high20 Ų2080.3 Ų80.321%0.20643%0.426CS..THydrogen-bonded Turntrans75.44.3-179.600000116.2P21 M42P21-G23 PolarHBondContact O-N 3.41Å; G23-M42 VanDerWaalsContact CA-CE 3.41Å; G23-M42 WeakPolarHBondContact O-CB 3.14Å; G23-M42 WeakPolarHBondContact O-CG 3.48Å; G23-M42 PolarHBondContact O-N 2.86Å
24I97.6Very high94.1Very high7 Ų777.6 Ų77.64%0.03642%0.416CS..EExtended strand (participates in β ladder)trans-132.2130.5-174.1-57.3173.2000110P21 E22 L40 L120 L121 V124P21-I24 HydrophobicContact CB-CB 4.44Å; P21-I24 HydrophobicContact CB-CD1 4.11Å; P21-I24 HydrophobicContact CG-CB 3.96Å; P21-I24 HydrophobicContact CG-CD1 4.06Å; P21-I24 HydrophobicContact CG-CG2 4.21Å; P21-I24 PolarHBondContact O-N 3.29Å; E22-I24 PolarHBondContact O-N 3.35Å; I24-L40 WeakPolarHBondContact CA-O 3.34Å; I24-L120 HydrophobicContact CD1-CB 3.94Å; I24-L120 HydrophobicContact CG2-CB 3.98Å; I24-L120 HydrophobicContact CG2-CD1 3.62Å; I24-L120 HydrophobicContact CG2-CG 4.27Å; I24-L121 HydrophobicContact CD1-CD2 4.17Å; I24-V124 HydrophobicContact CD1-CG2 3.75Å; I24-V124 HydrophobicContact CG1-CG2 4.07Å
25V96.6Very high94.2Very high103 Ų10373.1 Ų73.162%0.62440%0.397SS*.EExtended strand (participates in β ladder)trans-125.6129.6168.6-179.60000107.5A39 L40V25-A39 CarbonylContact O-C 3.56Å; V25-A39 WeakPolarHBondContact O-CA 3.44Å; V25-L40 PolarHBondContact N-O 2.75Å; V25-L40 PolarHBondContact O-N 2.86Å
26A97.8Very high94.3Very high17 Ų1771.2 Ų71.214%0.1439%0.388CS..EExtended strand (participates in β ladder)trans-148.1146.1177.400000112.2W37 E38 A39 L120A26-W37 HydrophobicContact CB-CE3 4.3Å; A26-E38 VanDerWaalsContact CA-O 3.27Å; A26-E38 WeakPolarHBondContact CA-O 3.33Å; A26-A39 HydrophobicContact CB-CB 3.88Å; A26-L120 HydrophobicContact CB-CD1 3.61Å
27G97.4Very high94.5Very high13 Ų1370.6 Ų70.613%0.13438%0.384CS..EExtended strand (participates in β ladder)trans-175.5170.3177.600000112.8A29 W37 E38G27-A29 PolarHBondContact O-N 2.8Å; G27-W37 CarbonylContact O-C 3.6Å; G27-W37 WeakPolarHBondContact O-CA 3.44Å; G27-W37 WeakPolarHBondContact O-CB 3.49Å; G27-E38 PolarHBondContact N-O 2.68Å; G27-E38 PolarHBondContact O-N 3.49Å
28P97.2Very high94.7Very high24 Ų2472.3 Ų72.316%0.15639%0.386CS..EExtended strand (participates in β ladder)trans-62.3136.2178.228.9-35000110.7N30 F34 E36P28-N30 PolarHBondContact O-N 2.65Å; P28-F34 HydrophobicContact CB-CD1 4.32Å; P28-F34 HydrophobicContact CB-CG 4.43Å; P28-F34 HydrophobicContact CG-CD1 4.24Å; P28-F34 HydrophobicContact CG-CE1 3.96Å; P28-F34 HydrophobicContact CG-CZ 4.14Å; P28-E36 WeakPolarHBondContact CA-O 3.29Å
29A93.4Very high94.8Very high54 Ų5466.9 Ų66.945%0.44636%0.359SS..EExtended strand (participates in β ladder)trans-64.4-28.7-178.800000112.2G27 E36 E38G27-A29 PolarHBondContact O-N 2.8Å; A29-E36 PolarHBondContact N-O 3.15Å; A29-E38 HydrophobicContact CB-CG 4.04Å
30N90.7Very high95Very high78 Ų7866.3 Ų66.342%0.41736%0.355SS..EExtended strand (participates in β ladder)trans-146.3159.1168.270.932.1000110.5P28 E32 N33P28-N30 PolarHBondContact O-N 2.65Å; N30-E32 PolarHBondContact O-N 3.09Å; N30-E32 PolarHBondContact OD1-N 3.24Å; N30-N33 WeakPolarHBondContact OD1-CA 3.41Å; N30-N33 VanDerWaalsContact OD1-CB 3.28Å; N30-N33 WeakPolarHBondContact OD1-CB 3.44Å; N30-N33 PolarHBondContact OD1-N 3.18Å
31E84Confident95.3Very high176 Ų17662.3 Ų62.382%0.82233%0.329SS*.THydrogen-bonded Turntrans-73.5-15.6-178-62.4-172.417400113.6
32E89.4Confident95.5Very high189 Ų18966.3 Ų66.388%0.88335%0.347SS*.THydrogen-bonded Turntrans-81.6-27.9-179.4-61.7-174169.200112.7N30N30-E32 PolarHBondContact O-N 3.09Å; N30-E32 PolarHBondContact OD1-N 3.24Å
33N92.9Very high95.7Very high61 Ų6157.9 Ų57.933%0.32631%0.31SS..EExtended strand (participates in β ladder)trans-129.288.7-175.9-177.518.1000111.2N30 F35 E36N30-N33 WeakPolarHBondContact OD1-CA 3.41Å; N30-N33 VanDerWaalsContact OD1-CB 3.28Å; N30-N33 WeakPolarHBondContact OD1-CB 3.44Å; N30-N33 PolarHBondContact OD1-N 3.18Å; N33-F35 PolarHBondContact O-N 2.69Å; N33-F35 VanDerWaalsContact O-N 3.15Å; N33-F35 WeakPolarHBondContact OD1-CB 3.49Å; N33-F35 PolarHBondContact OD1-N 2.81Å; N33-E36 WeakPolarHBondContact ND2-CG 3.15Å
34F95.4Very high95.8Very high29 Ų2958 Ų5813%0.12731%0.307CS..EExtended strand (participates in β ladder)trans-68.9-4.4174.2-92.2-101000114.7L6 L9 M10 Y13 P28 W37L6-F34 HydrophobicContact CD1-CB 3.47Å; L6-F34 VanDerWaalsContact CD1-CB 3.47Å; L6-F34 HydrophobicContact CD1-CD1 4.47Å; L6-F34 HydrophobicContact CD1-CD2 4.03Å; L6-F34 HydrophobicContact CD1-CG 3.74Å; L9-F34 HydrophobicContact CB-CD1 4.39Å; M10-F34 HydrophobicContact CB-CE1 4.44Å; M10-F34 HydrophobicContact CG-CD1 3.97Å; M10-F34 HydrophobicContact CG-CE1 3.76Å; M10-F34 HydrophobicContact CG-CG 4.45Å; M10-F34 HydrophobicContact CG-CZ 4.08Å; Y13-F34 HydrophobicContact CD1-CE1 4.1Å; Y13-F34 HydrophobicContact CD1-CZ 4.48Å; Y13-F34 HydrophobicContact CG-CE1 4.43Å; P28-F34 HydrophobicContact CB-CD1 4.32Å; P28-F34 HydrophobicContact CB-CG 4.43Å; P28-F34 HydrophobicContact CG-CD1 4.24Å; P28-F34 HydrophobicContact CG-CE1 3.96Å; P28-F34 HydrophobicContact CG-CZ 4.14Å; F34-W37 VanDerWaalsContact O-CD1 3.25Å; F34-W37 PolarHBondContact O-NE1 2.89Å
35F97.4Very high95.7Very high54 Ų5465.3 Ų65.324%0.23734%0.341CS..EExtended strand (participates in β ladder)trans-90.8-1.6-178.5-66.4-96.2000113.7A5 L9 N33 F60A5-F35 HydrophobicContact CB-CE1 3.73Å; A5-F35 HydrophobicContact CB-CZ 3.87Å; L9-F35 HydrophobicContact CD1-CD1 3.95Å; L9-F35 HydrophobicContact CD1-CE1 4Å; L9-F35 HydrophobicContact CD1-CG 4.28Å; L9-F35 HydrophobicContact CD1-CZ 4.37Å; N33-F35 PolarHBondContact O-N 2.69Å; N33-F35 VanDerWaalsContact O-N 3.15Å; N33-F35 WeakPolarHBondContact OD1-CB 3.49Å; N33-F35 PolarHBondContact OD1-N 2.81Å; F35-F60 HydrophobicContact CB-CB 4.37Å; F35-F60 HydrophobicContact CD1-CB 4.02Å; F35-F60 WeakPolarHBondContact O-CD2 3.35Å; F35-F60 PolarHBondContact O-N 2.79Å
36E98.2Very high95.6Very high67 Ų6767.9 Ų67.931%0.31335%0.351SS..EExtended strand (participates in β ladder)trans-127.5118.9173.3-66.1-63.4153.700109.1P28 A29 N33 L58 S59P28-E36 WeakPolarHBondContact CA-O 3.29Å; A29-E36 PolarHBondContact N-O 3.15Å; N33-E36 WeakPolarHBondContact ND2-CG 3.15Å; E36-L58 WeakPolarHBondContact CA-O 3.41Å; E36-S59 VanDerWaalsContact OE1-CB 3.26Å; E36-S59 WeakPolarHBondContact OE1-CB 3.41Å; E36-S59 PolarHBondContact OE1-OG 3.17Å; E36-S59 WeakPolarHBondContact OE2-CB 3.42Å; E36-S59 PolarHBondContact OE2-OG 2.89Å
37W98.4Very high95.6Very high1 Ų168.4 Ų68.40%0.00435%0.353CS..EExtended strand (participates in β ladder)trans-117.1149.9-179.4-71.332.2000110.7L9 Y13 L16 A26 G27 F34 V57 L58 F60 V116L9-W37 HydrophobicContact CB-CZ2 4.48Å; L9-W37 HydrophobicContact CD2-CZ2 4.34Å; Y13-W37 HydrophobicContact CD2-CH2 4.3Å; Y13-W37 HydrophobicContact CG-CH2 4.45Å; L16-W37 HydrophobicContact CD1-CH2 4.13Å; L16-W37 HydrophobicContact CD1-CZ3 3.59Å; A26-W37 HydrophobicContact CB-CE3 4.3Å; G27-W37 CarbonylContact O-C 3.6Å; G27-W37 WeakPolarHBondContact O-CA 3.44Å; G27-W37 WeakPolarHBondContact O-CB 3.49Å; F34-W37 VanDerWaalsContact O-CD1 3.25Å; F34-W37 PolarHBondContact O-NE1 2.89Å; W37-V57 CarbonylContact O-C 3.45Å; W37-V57 VanDerWaalsContact O-CA 3.24Å; W37-V57 WeakPolarHBondContact O-CA 3.17Å; W37-L58 HydrophobicContact CB-CB 4.26Å; W37-L58 PolarHBondContact N-O 2.81Å; W37-L58 PolarHBondContact O-N 2.82Å; W37-F60 HydrophobicContact CB-CE2 3.95Å; W37-F60 AromaticContact CD1-CD2 3.97Å; W37-F60 AromaticContact CD1-CE2 3.46Å; W37-F60 VanDerWaalsContact CD1-CE2 3.46Å; W37-F60 AromaticContact CD2-CE2 3.86Å; W37-F60 HydrophobicContact CD2-CE2 3.86Å; W37-F60 HydrophobicContact CD2-CZ 4.13Å; W37-F60 HydrophobicContact CG-CD2 4.4Å; W37-F60 AromaticContact CG-CE2 3.5Å; W37-F60 HydrophobicContact CG-CE2 3.5Å; W37-F60 HydrophobicContact CG-CZ 4.23Å; W37-F60 AromaticContact NE1-CE2 3.77Å; W37-V116 HydrophobicContact CE3-CG1 4.15Å; W37-V116 HydrophobicContact CH2-CG2 4.48Å; W37-V116 HydrophobicContact CZ3-CB 4.42Å; W37-V116 HydrophobicContact CZ3-CG1 3.87Å; W37-V116 HydrophobicContact CZ3-CG2 4.4Å
38E98.3Very high95.6Very high122 Ų12268.8 Ų68.857%0.5735%0.353SS*.EExtended strand (participates in β ladder)trans-103.3145165.5-67.5-178.1164.900109A26 G27 A29 A56A26-E38 VanDerWaalsContact CA-O 3.27Å; A26-E38 WeakPolarHBondContact CA-O 3.33Å; G27-E38 PolarHBondContact N-O 2.68Å; G27-E38 PolarHBondContact O-N 3.49Å; A29-E38 HydrophobicContact CB-CG 4.04Å; E38-A56 CarbonylContact C-O 3.56Å; E38-A56 WeakPolarHBondContact CA-O 3.24Å
39A98.1Very high95.6Very high2 Ų267.7 Ų67.72%0.01735%0.346CS..EExtended strand (participates in β ladder)trans-132.5142.8173.200000110.3V25 A26 P55 A56 L58 L120V25-A39 CarbonylContact O-C 3.56Å; V25-A39 WeakPolarHBondContact O-CA 3.44Å; A26-A39 HydrophobicContact CB-CB 3.88Å; A39-P55 CarbonylContact O-C 3.54Å; A39-P55 WeakPolarHBondContact O-CA 3.19Å; A39-A56 PolarHBondContact N-O 2.91Å; A39-A56 PolarHBondContact O-N 2.81Å; A39-L58 HydrophobicContact CB-CD1 3.77Å; A39-L120 HydrophobicContact CB-CD2 4.02Å
40L98.1Very high95.8Very high87 Ų8770 Ų7046%0.45535%0.348SS..EExtended strand (participates in β ladder)trans-114.4123.9166.9-65178.1000107.7I24 V25 V53 P55I24-L40 WeakPolarHBondContact CA-O 3.34Å; V25-L40 PolarHBondContact N-O 2.75Å; V25-L40 PolarHBondContact O-N 2.86Å; L40-V53 HydrophobicContact CB-CG1 4.44Å; L40-V53 HydrophobicContact CD2-CG1 4.38Å; L40-P55 HydrophobicContact CD2-CB 3.78Å
41I98.3Very high96.1Very high0 Ų068.6 Ų68.60%035%0.351CS..EExtended strand (participates in β ladder)trans-119.3120-177.6-59.9171.2000108.3F54 M71 F73 L120 V123 V124 L127I41-F54 PolarHBondContact N-O 3.26Å; I41-F54 VanDerWaalsContact N-O 3.12Å; I41-F54 WeakPolarHBondContact O-CD2 3.44Å; I41-F54 PolarHBondContact O-N 3.41Å; I41-M71 HydrophobicContact CD1-CE 3.42Å; I41-M71 VanDerWaalsContact CD1-CE 3.42Å; I41-F73 HydrophobicContact CD1-CE1 4.19Å; I41-F73 HydrophobicContact CD1-CZ 4.3Å; I41-L120 HydrophobicContact CD1-CD2 3.99Å; I41-L120 HydrophobicContact CG1-CD2 4.5Å; I41-V123 HydrophobicContact CD1-CB 4.47Å; I41-V123 HydrophobicContact CD1-CG1 3.89Å; I41-V124 HydrophobicContact CG2-CG2 3.69Å; I41-L127 HydrophobicContact CG2-CD1 4.33Å
42M98.1Very high96.7Very high104 Ų10460.2 Ų60.251%0.51231%0.312SS..EExtended strand (participates in β ladder)trans-74.4138.6171.2-61.5-153.9-66.800109.8G23 G52G23-M42 VanDerWaalsContact CA-CE 3.41Å; G23-M42 WeakPolarHBondContact O-CB 3.14Å; G23-M42 WeakPolarHBondContact O-CG 3.48Å; G23-M42 PolarHBondContact O-N 2.86Å; M42-G52 CarbonylContact C-O 3.58Å; M42-G52 WeakPolarHBondContact CA-O 3.25Å
43G97.6Very high97.1Very high8 Ų853.4 Ų53.48%0.08228%0.283CS..PPolyproline II helixtrans-62.4130.6172.100000110.8F49 G52G43-F49 WeakPolarHBondContact CA-O 3.42Å; G43-G52 PolarHBondContact N-O 3.2Å
44P97.2Very high97.4Very high23 Ų2350.5 Ų50.515%0.14927%0.268CS..PPolyproline II helixtrans-62145.8-177.5-1.35.7000112T47 E50 V124 L127 A128P44-T47 HydrophobicContact CB-CG2 3.79Å; P44-T47 HydrophobicContact CG-CG2 4Å; P44-T47 WeakPolarHBondContact O-CB 3.45Å; P44-T47 WeakPolarHBondContact O-CG2 3.4Å; P44-T47 PolarHBondContact O-OG1 3.06Å; P44-E50 WeakPolarHBondContact O-CA 3.44Å; P44-V124 HydrophobicContact CB-CG1 4.16Å; P44-V124 HydrophobicContact CG-CG1 3.83Å; P44-V124 WeakPolarHBondContact CG-O 3.49Å; P44-L127 HydrophobicContact CG-CB 4.17Å; P44-A128 HydrophobicContact CG-CB 4.21Å
45E95.6Very high97.5Very high159 Ų15951.1 Ų51.174%0.74328%0.275SS*.THydrogen-bonded Turntrans-60.2151.1173.3-63-172.9166.100111.5T47E45-T47 WeakPolarHBondContact O-CG2 3.31Å; E45-T47 PolarHBondContact O-N 2.84Å
46D95.2Very high97.6Very high158 Ų15848.6 Ų48.685%0.84526%0.264SS*.THydrogen-bonded Turntrans61.922.5-178.5-61.4-48.9000113.9E50D46-E50 PolarHBondContact N-OE2 3.19Å
47T96.6Very high97.6Very high27 Ų2747 Ų4717%0.16626%0.259CS..SBendtrans-120.4165.3176.7790000112.2P44 E45 F49 E50 A128P44-T47 HydrophobicContact CB-CG2 3.79Å; P44-T47 HydrophobicContact CG-CG2 4Å; P44-T47 WeakPolarHBondContact O-CB 3.45Å; P44-T47 WeakPolarHBondContact O-CG2 3.4Å; P44-T47 PolarHBondContact O-OG1 3.06Å; E45-T47 WeakPolarHBondContact O-CG2 3.31Å; E45-T47 PolarHBondContact O-N 2.84Å; T47-F49 PolarHBondContact O-N 3.15Å; T47-F49 VanDerWaalsContact O-N 3.14Å; T47-F49 PolarHBondContact OG1-N 3.46Å; T47-E50 VanDerWaalsContact O-CB 3.28Å; T47-E50 WeakPolarHBondContact O-CB 3.16Å; T47-E50 PolarHBondContact O-N 3.5Å; T47-E50 VanDerWaalsContact O-N 3.14Å; T47-E50 PolarHBondContact OG1-N 2.91Å; T47-A128 HydrophobicContact CG2-CB 3.67Å
48C96.8Very high97.6Very high22 Ų2246.9 Ų46.915%0.14926%0.258CS..THydrogen-bonded Turntrans-68.6-8.9175.368.60000114.6Y152 A155C48-Y152 HydrophobicContact CB-CD1 3.31Å; C48-Y152 HydrophobicContact CB-CE1 3.62Å; C48-Y152 HydrophobicContact CB-CG 4.05Å; C48-A155 HydrophobicContact CB-CB 3.88Å; C48-A155 WeakPolarHBondContact O-CB 3.45Å
49F97.9Very high97.6Very high0 Ų043 Ų430%025%0.245CC..THydrogen-bonded Turntrans-101.6-0.6175.5-67.3-72.5000113.2G43 T47 G51 G52 F54 M77 H79 L127 F151 A155 V159G43-F49 WeakPolarHBondContact CA-O 3.42Å; T47-F49 PolarHBondContact O-N 3.15Å; T47-F49 VanDerWaalsContact O-N 3.14Å; T47-F49 PolarHBondContact OG1-N 3.46Å; F49-G51 PolarHBondContact O-N 3Å; F49-G52 PolarHBondContact O-N 3.2Å; F49-G52 VanDerWaalsContact O-N 3.08Å; F49-F54 HydrophobicContact CB-CE2 3.96Å; F49-F54 HydrophobicContact CB-CZ 4.01Å; F49-F54 HydrophobicContact CD1-CE2 4.33Å; F49-F54 AromaticContact CD1-CZ 3.84Å; F49-F54 HydrophobicContact CD1-CZ 3.84Å; F49-F54 HydrophobicContact CG-CE2 4.47Å; F49-F54 HydrophobicContact CG-CZ 4.35Å; F49-M77 HydrophobicContact CE1-CE 4.25Å; F49-H79 AromaticContact CE2-CD2 3.72Å; F49-H79 AromaticContact CZ-CD2 3.99Å; F49-L127 HydrophobicContact CD2-CB 4.27Å; F49-L127 HydrophobicContact CD2-CD2 4.15Å; F49-L127 HydrophobicContact CE2-CD2 4.23Å; F49-L127 HydrophobicContact CG-CD2 4.48Å; F49-F151 HydrophobicContact CE2-CE1 4.46Å; F49-F151 HydrophobicContact CZ-CE1 4.47Å; F49-F151 HydrophobicContact CZ-CZ 4.48Å; F49-A155 HydrophobicContact CD1-CB 4.29Å; F49-A155 HydrophobicContact CE1-CB 3.97Å; F49-A155 HydrophobicContact CZ-CB 4.2Å; F49-V159 WeakPolarHBondContact O-CG2 3.33Å
50E97.8Very high97.6Very high103 Ų10343.6 Ų43.648%0.48125%0.247SC..THydrogen-bonded Turntrans-47.8135.6-179.3-179.5-178.6142.700112.4P44 D46 T47 G52P44-E50 WeakPolarHBondContact O-CA 3.44Å; D46-E50 PolarHBondContact N-OE2 3.19Å; T47-E50 VanDerWaalsContact O-CB 3.28Å; T47-E50 WeakPolarHBondContact O-CB 3.16Å; T47-E50 PolarHBondContact O-N 3.5Å; T47-E50 VanDerWaalsContact O-N 3.14Å; T47-E50 PolarHBondContact OG1-N 2.91Å; E50-G52 PolarHBondContact O-N 2.97Å
51G95.8Very high97.6Very high48 Ų4841.1 Ų41.150%0.49524%0.236SC..THydrogen-bonded Turntrans77.6-5.3179.100000115F49F49-G51 PolarHBondContact O-N 3Å
52G97.6Very high97.4Very high0 Ų046.3 Ų46.30%027%0.272CS..  trans-76.4157.6173.100000113.1M42 G43 F49 E50 S162M42-G52 CarbonylContact C-O 3.58Å; M42-G52 WeakPolarHBondContact CA-O 3.25Å; G43-G52 PolarHBondContact N-O 3.2Å; F49-G52 PolarHBondContact O-N 3.2Å; F49-G52 VanDerWaalsContact O-N 3.08Å; E50-G52 PolarHBondContact O-N 2.97Å; G52-S162 WeakPolarHBondContact CA-OG 3.32Å
53V98.1Very high97.3Very high46 Ų4644.4 Ų44.428%0.27926%0.264SS..EExtended strand (participates in β ladder)trans-129.9112.1174.3-178.50000109.2L40 P55 S162 L163L40-V53 HydrophobicContact CB-CG1 4.44Å; L40-V53 HydrophobicContact CD2-CG1 4.38Å; V53-P55 WeakPolarHBondContact O-CD 3.4Å; V53-S162 PolarHBondContact N-OG 3.04Å; V53-S162 VanDerWaalsContact N-OG 3.13Å; V53-S162 WeakPolarHBondContact O-CB 3.46Å; V53-L163 HydrophobicContact CG2-CD2 4.05Å
54F98.5Very high97.3Very high0 Ų044.1 Ų44.10%026%0.261CS..EExtended strand (participates in β ladder)trans-110.7106.4-168-50.3-62.4000110.7I41 F49 F73 M77 L127 I158 V159I41-F54 PolarHBondContact N-O 3.26Å; I41-F54 VanDerWaalsContact N-O 3.12Å; I41-F54 WeakPolarHBondContact O-CD2 3.44Å; I41-F54 PolarHBondContact O-N 3.41Å; F49-F54 HydrophobicContact CB-CE2 3.96Å; F49-F54 HydrophobicContact CB-CZ 4.01Å; F49-F54 HydrophobicContact CD1-CE2 4.33Å; F49-F54 AromaticContact CD1-CZ 3.84Å; F49-F54 HydrophobicContact CD1-CZ 3.84Å; F49-F54 HydrophobicContact CG-CE2 4.47Å; F49-F54 HydrophobicContact CG-CZ 4.35Å; F54-F73 HydrophobicContact CB-CD1 3.76Å; F54-F73 HydrophobicContact CB-CE1 3.56Å; F54-M77 HydrophobicContact CB-SD 4.49Å; F54-M77 HydrophobicContact CD1-CE 4.3Å; F54-M77 HydrophobicContact CD1-SD 3.65Å; F54-M77 HydrophobicContact CE1-SD 4.13Å; F54-M77 HydrophobicContact CG-CE 4.3Å; F54-M77 HydrophobicContact CG-SD 4.1Å; F54-L127 HydrophobicContact CD2-CD1 4.18Å; F54-L127 HydrophobicContact CE2-CD1 4.44Å; F54-I158 HydrophobicContact CE1-CG2 3.89Å; F54-V159 HydrophobicContact CZ-CG2 4.23Å
55P98.4Very high97.3Very high42 Ų4243.8 Ų43.827%0.27326%0.259SS..EExtended strand (participates in β ladder)trans-71.2140.4174.129.9-36.1000111.5A39 L40 V53 F73 T74 C75A39-P55 CarbonylContact O-C 3.54Å; A39-P55 WeakPolarHBondContact O-CA 3.19Å; L40-P55 HydrophobicContact CD2-CB 3.78Å; V53-P55 WeakPolarHBondContact O-CD 3.4Å; P55-F73 WeakPolarHBondContact O-CA 3.16Å; P55-T74 WeakPolarHBondContact CB-OG1 3.36Å; P55-T74 WeakPolarHBondContact CG-OG1 3.49Å; P55-T74 PolarHBondContact O-N 2.93Å; P55-T74 PolarHBondContact O-OG1 3.04Å; P55-C75 HydrophobicContact CG-CB 4.02Å
56A98.6Very high97.3Very high2 Ų241.5 Ų41.52%0.01725%0.251CS..EExtended strand (participates in β ladder)trans-142.2159178.400000111.4E38 A39 M71 R72 F73E38-A56 CarbonylContact C-O 3.56Å; E38-A56 WeakPolarHBondContact CA-O 3.24Å; A39-A56 PolarHBondContact N-O 2.91Å; A39-A56 PolarHBondContact O-N 2.81Å; A56-M71 HydrophobicContact CB-CE 3.65Å; A56-M71 HydrophobicContact CB-CG 4.49Å; A56-R72 CarbonylContact C-O 3.36Å; A56-R72 VanDerWaalsContact CA-O 3.24Å; A56-R72 WeakPolarHBondContact CA-O 3.44Å; A56-F73 HydrophobicContact CB-CD1 3.9Å; A56-F73 HydrophobicContact CB-CE1 4.2Å; A56-F73 HydrophobicContact CB-CG 4.42Å
57V98.5Very high97.3Very high32 Ų3235.9 Ų35.919%0.19422%0.224CC..EExtended strand (participates in β ladder)trans-117.2138173.2173.40000109.2W37 M71 R72 T74W37-V57 CarbonylContact O-C 3.45Å; W37-V57 VanDerWaalsContact O-CA 3.24Å; W37-V57 WeakPolarHBondContact O-CA 3.17Å; V57-M71 WeakPolarHBondContact O-CA 3.35Å; V57-R72 PolarHBondContact N-O 2.9Å; V57-R72 PolarHBondContact O-N 3.42Å; V57-T74 HydrophobicContact CG2-CG2 3.72Å
58L98.6Very high97.4Very high0 Ų035.6 Ų35.60%022%0.222CC..EExtended strand (participates in β ladder)trans-113.1121.2169.3-63.486.7000109.8E36 W37 A39 F60 K70 M71 V116 L120E36-L58 WeakPolarHBondContact CA-O 3.41Å; W37-L58 HydrophobicContact CB-CB 4.26Å; W37-L58 PolarHBondContact N-O 2.81Å; W37-L58 PolarHBondContact O-N 2.82Å; A39-L58 HydrophobicContact CB-CD1 3.77Å; L58-F60 HydrophobicContact CB-CE2 3.8Å; L58-F60 HydrophobicContact CB-CZ 4.03Å; L58-F60 HydrophobicContact CD2-CZ 4.25Å; L58-K70 CarbonylContact C-O 3.25Å; L58-K70 VanDerWaalsContact CA-O 3.3Å; L58-K70 WeakPolarHBondContact CA-O 3.46Å; L58-M71 HydrophobicContact CG-CB 4.4Å; L58-M71 HydrophobicContact CG-CG 4.21Å; L58-M71 HydrophobicContact CG-SD 4.49Å; L58-V116 HydrophobicContact CD2-CG1 4.16Å; L58-L120 HydrophobicContact CD1-CD2 4.28Å
59S98.4Very high97.4Very high41 Ų4134.6 Ų34.629%0.28722%0.216SC..EExtended strand (participates in β ladder)trans-107.8115177.8-51.80000109.6E36 P69 K70E36-S59 VanDerWaalsContact OE1-CB 3.26Å; E36-S59 WeakPolarHBondContact OE1-CB 3.41Å; E36-S59 PolarHBondContact OE1-OG 3.17Å; E36-S59 WeakPolarHBondContact OE2-CB 3.42Å; E36-S59 PolarHBondContact OE2-OG 2.89Å; S59-P69 CarbonylContact O-C 3.59Å; S59-P69 VanDerWaalsContact O-CA 3.28Å; S59-P69 WeakPolarHBondContact O-CA 3.48Å; S59-P69 WeakPolarHBondContact O-CB 3.3Å; S59-K70 PolarHBondContact N-O 3.04Å; S59-K70 PolarHBondContact O-N 3.3Å
60F98.3Very high97.4Very high13 Ų1342.5 Ų42.56%0.05725%0.25CS..  trans-92.9137.7-175.1-63.2-93.1000111.2L9 F35 W37 L58 Y64 P69 V116L9-F60 HydrophobicContact CD1-CB 4.31Å; L9-F60 HydrophobicContact CD1-CG 4.41Å; L9-F60 HydrophobicContact CD2-CB 4.37Å; L9-F60 HydrophobicContact CD2-CD1 3.42Å; L9-F60 VanDerWaalsContact CD2-CD1 3.42Å; L9-F60 HydrophobicContact CD2-CD2 4.05Å; L9-F60 HydrophobicContact CD2-CE1 3.57Å; L9-F60 HydrophobicContact CD2-CE2 4.19Å; L9-F60 HydrophobicContact CD2-CG 3.67Å; L9-F60 HydrophobicContact CD2-CZ 3.97Å; F35-F60 HydrophobicContact CB-CB 4.37Å; F35-F60 HydrophobicContact CD1-CB 4.02Å; F35-F60 WeakPolarHBondContact O-CD2 3.35Å; F35-F60 PolarHBondContact O-N 2.79Å; W37-F60 HydrophobicContact CB-CE2 3.95Å; W37-F60 AromaticContact CD1-CD2 3.97Å; W37-F60 AromaticContact CD1-CE2 3.46Å; W37-F60 VanDerWaalsContact CD1-CE2 3.46Å; W37-F60 AromaticContact CD2-CE2 3.86Å; W37-F60 HydrophobicContact CD2-CE2 3.86Å; W37-F60 HydrophobicContact CD2-CZ 4.13Å; W37-F60 HydrophobicContact CG-CD2 4.4Å; W37-F60 AromaticContact CG-CE2 3.5Å; W37-F60 HydrophobicContact CG-CE2 3.5Å; W37-F60 HydrophobicContact CG-CZ 4.23Å; W37-F60 AromaticContact NE1-CE2 3.77Å; L58-F60 HydrophobicContact CB-CE2 3.8Å; L58-F60 HydrophobicContact CB-CZ 4.03Å; L58-F60 HydrophobicContact CD2-CZ 4.25Å; F60-Y64 HydrophobicContact CD1-CD1 4.34Å; F60-Y64 AromaticContact CD1-CD2 3.78Å; F60-Y64 HydrophobicContact CD1-CD2 3.78Å; F60-Y64 HydrophobicContact CD1-CE1 4.37Å; F60-Y64 AromaticContact CD1-CE2 3.84Å; F60-Y64 HydrophobicContact CD1-CE2 3.84Å; F60-Y64 HydrophobicContact CD1-CG 4.05Å; F60-Y64 HydrophobicContact CE1-CD2 4.46Å; F60-Y64 HydrophobicContact CE1-CE2 4.07Å; F60-P69 HydrophobicContact CD1-CB 3.65Å; F60-P69 HydrophobicContact CD1-CG 4.16Å; F60-P69 HydrophobicContact CE1-CB 3.8Å; F60-P69 HydrophobicContact CE1-CG 3.94Å; F60-P69 HydrophobicContact CG-CB 4.12Å; F60-P69 HydrophobicContact CZ-CB 4.38Å; F60-V116 HydrophobicContact CE1-CG2 3.52Å; F60-V116 HydrophobicContact CZ-CG2 3.52Å
61P97.3Very high97.5Very high36 Ų3637.9 Ų37.923%0.23423%0.229CC..  trans-76.3159.9175.435.2-37.5000111.1D63 Y64 S67 P68P61-D63 WeakPolarHBondContact CB-OD1 3.37Å; P61-D63 VanDerWaalsContact CG-OD1 3.32Å; P61-D63 WeakPolarHBondContact CG-OD1 3.36Å; P61-D63 PolarHBondContact O-N 2.91Å; P61-Y64 WeakPolarHBondContact O-CB 3.48Å; P61-Y64 PolarHBondContact O-N 2.9Å; P61-Y64 VanDerWaalsContact O-N 3.13Å; P61-S67 WeakPolarHBondContact CG-O 3.5Å; P61-P68 WeakPolarHBondContact CD-O 3.38Å
62S95.6Very high97.6Very high108 Ų10841.6 Ų41.676%0.75523%0.228SC*.THydrogen-bonded Turntrans-66.2-19.8-178.555.90000113.8
63D95.9Very high97.7Very high64 Ų6441.8 Ų41.834%0.34223%0.229SC..THydrogen-bonded Turntrans-96.77.8177.571.4-28.4000113.4P61 L66 S67P61-D63 WeakPolarHBondContact CB-OD1 3.37Å; P61-D63 VanDerWaalsContact CG-OD1 3.32Å; P61-D63 WeakPolarHBondContact CG-OD1 3.36Å; P61-D63 PolarHBondContact O-N 2.91Å; D63-L66 HydrophobicContact CB-CB 4.48Å; D63-L66 VanDerWaalsContact O-CB 3.25Å; D63-L66 WeakPolarHBondContact O-CB 3.42Å; D63-L66 WeakPolarHBondContact O-CG 3.37Å; D63-L66 PolarHBondContact O-N 2.85Å; D63-S67 WeakPolarHBondContact OD1-CB 3.28Å; D63-S67 PolarHBondContact OD1-OG 2.99Å; D63-S67 WeakPolarHBondContact OD2-CB 3.43Å; D63-S67 PolarHBondContact OD2-OG 3.23Å
64Y97.4Very high97.7Very high2 Ų243.3 Ų43.31%0.00824%0.238CC..THydrogen-bonded Turntrans-50.5134.9175.2-174.9-99.5000111A5 R8 L9 E12 F60 P61 W110A5-Y64 WeakPolarHBondContact CA-O 3.38Å; A5-Y64 WeakPolarHBondContact CB-O 3.24Å; R8-Y64 HydrophobicContact CB-CD1 4.44Å; R8-Y64 HydrophobicContact CB-CE1 4.44Å; R8-Y64 HydrophobicContact CG-CD1 3.96Å; R8-Y64 HydrophobicContact CG-CE1 3.56Å; L9-Y64 HydrophobicContact CD2-CD1 3.73Å; L9-Y64 HydrophobicContact CD2-CE1 3.67Å; L9-Y64 HydrophobicContact CD2-CG 4.49Å; L9-Y64 HydrophobicContact CG-CD1 3.87Å; L9-Y64 HydrophobicContact CG-CE1 4.15Å; E12-Y64 WeakPolarHBondContact OE1-CE1 3.27Å; E12-Y64 PolarHBondContact OE1-OH 3.42Å; E12-Y64 PolarHBondContact OE2-OH 3.3Å; F60-Y64 HydrophobicContact CD1-CD1 4.34Å; F60-Y64 AromaticContact CD1-CD2 3.78Å; F60-Y64 HydrophobicContact CD1-CD2 3.78Å; F60-Y64 HydrophobicContact CD1-CE1 4.37Å; F60-Y64 AromaticContact CD1-CE2 3.84Å; F60-Y64 HydrophobicContact CD1-CE2 3.84Å; F60-Y64 HydrophobicContact CD1-CG 4.05Å; F60-Y64 HydrophobicContact CE1-CD2 4.46Å; F60-Y64 HydrophobicContact CE1-CE2 4.07Å; P61-Y64 WeakPolarHBondContact O-CB 3.48Å; P61-Y64 PolarHBondContact O-N 2.9Å; P61-Y64 VanDerWaalsContact O-N 3.13Å; Y64-W110 HydrophobicContact CD2-CZ2 4.11Å; Y64-W110 AromaticContact CE2-CH2 3.55Å; Y64-W110 HydrophobicContact CE2-CH2 3.55Å; Y64-W110 AromaticContact CE2-CZ2 3.45Å; Y64-W110 HydrophobicContact CE2-CZ2 3.45Å; Y64-W110 VanDerWaalsContact CE2-CZ2 3.45Å
65P96.5Very high97.6Very high17 Ų1744.8 Ų44.811%0.1125%0.248CC..THydrogen-bonded Turncis-9519.98.839.5-37.8000115R8 W110 P112R8-P65 HydrophobicContact CG-CB 4.4Å; R8-P65 HydrophobicContact CG-CG 4.22Å; P65-W110 HydrophobicContact CB-CZ2 4.12Å; P65-W110 PolarHBondContact O-NE1 3.02Å; P65-P112 HydrophobicContact CB-CB 4.41Å; P65-P112 HydrophobicContact CG-CB 4.15Å
66L95.1Very high97.4Very high110 Ų11047.7 Ų47.758%0.57626%0.261SS*.SBendtrans-67.5-42178.9-59.5-179.9000111.6D63 W110 P112D63-L66 HydrophobicContact CB-CB 4.48Å; D63-L66 VanDerWaalsContact O-CB 3.25Å; D63-L66 WeakPolarHBondContact O-CB 3.42Å; D63-L66 WeakPolarHBondContact O-CG 3.37Å; D63-L66 PolarHBondContact O-N 2.85Å; L66-W110 PolarHBondContact O-NE1 3.25Å; L66-P112 HydrophobicContact CD2-CG 4.29Å
67S95.9Very high97.4Very high40 Ų4048.7 Ų48.728%0.2827%0.266SS..SBendtrans-107.1147.5172.8-61.50000111.1P61 D63P61-S67 WeakPolarHBondContact CG-O 3.5Å; D63-S67 WeakPolarHBondContact OD1-CB 3.28Å; D63-S67 PolarHBondContact OD1-OG 2.99Å; D63-S67 WeakPolarHBondContact OD2-CB 3.43Å; D63-S67 PolarHBondContact OD2-OG 3.23Å
68P97.7Very high97.4Very high21 Ų2149.1 Ų49.114%0.13627%0.265CS..PPolyproline II helixtrans-69.6156.8178.126.1-30.6000111.7P61 L93 W110P61-P68 WeakPolarHBondContact CD-O 3.38Å; P68-L93 VanDerWaalsContact CG-O 3.26Å; P68-L93 WeakPolarHBondContact CG-O 3.32Å; P68-W110 HydrophobicContact CB-CB 3.85Å; P68-W110 HydrophobicContact CB-CD2 3.57Å; P68-W110 HydrophobicContact CB-CE3 3.93Å; P68-W110 HydrophobicContact CB-CG 3.53Å; P68-W110 VanDerWaalsContact CD-CD1 3.46Å; P68-W110 HydrophobicContact CG-CB 3.91Å; P68-W110 HydrophobicContact CG-CD2 4.44Å; P68-W110 HydrophobicContact CG-CG 3.9Å
69P98.2Very high97.3Very high2 Ų249.1 Ų49.11%0.01327%0.265CS..PPolyproline II helixtrans-68.4164.7164.532-33.8000111.1S59 F60 L93 I119S59-P69 CarbonylContact O-C 3.59Å; S59-P69 VanDerWaalsContact O-CA 3.28Å; S59-P69 WeakPolarHBondContact O-CA 3.48Å; S59-P69 WeakPolarHBondContact O-CB 3.3Å; F60-P69 HydrophobicContact CD1-CB 3.65Å; F60-P69 HydrophobicContact CD1-CG 4.16Å; F60-P69 HydrophobicContact CE1-CB 3.8Å; F60-P69 HydrophobicContact CE1-CG 3.94Å; F60-P69 HydrophobicContact CG-CB 4.12Å; F60-P69 HydrophobicContact CZ-CB 4.38Å; P69-L93 HydrophobicContact CG-CD2 4.29Å; P69-I119 HydrophobicContact CG-CD1 3.46Å; P69-I119 VanDerWaalsContact CG-CD1 3.46Å
70K98.4Very high97.3Very high166 Ų16647.1 Ų47.172%0.72225%0.251SS*.EExtended strand (participates in β ladder)trans-97.1139.2164-64.8175.9-177.2173.20108.7L58 S59L58-K70 CarbonylContact C-O 3.25Å; L58-K70 VanDerWaalsContact CA-O 3.3Å; L58-K70 WeakPolarHBondContact CA-O 3.46Å; S59-K70 PolarHBondContact N-O 3.04Å; S59-K70 PolarHBondContact O-N 3.3Å
71M98.5Very high97.2Very high5 Ų546.7 Ų46.73%0.02525%0.25CC..EExtended strand (participates in β ladder)trans-119.5137.8175-175.6173.1168.600110.9I41 A56 V57 L58 F73 V88 L93 I119 L120 V123I41-M71 HydrophobicContact CD1-CE 3.42Å; I41-M71 VanDerWaalsContact CD1-CE 3.42Å; A56-M71 HydrophobicContact CB-CE 3.65Å; A56-M71 HydrophobicContact CB-CG 4.49Å; V57-M71 WeakPolarHBondContact O-CA 3.35Å; L58-M71 HydrophobicContact CG-CB 4.4Å; L58-M71 HydrophobicContact CG-CG 4.21Å; L58-M71 HydrophobicContact CG-SD 4.49Å; M71-F73 HydrophobicContact CE-CE1 4.42Å; M71-F73 HydrophobicContact CE-CE2 4.46Å; M71-F73 HydrophobicContact CE-CZ 4.15Å; M71-V88 HydrophobicContact CB-CB 4.35Å; M71-V88 HydrophobicContact CB-CG2 4.29Å; M71-V88 HydrophobicContact CE-CG2 4.5Å; M71-V88 HydrophobicContact CG-CG2 3.98Å; M71-V88 PolarHBondContact O-N 3.23Å; M71-V88 HydrophobicContact SD-CG2 4.35Å; M71-L93 HydrophobicContact CB-CD1 3.99Å; M71-I119 HydrophobicContact SD-CG2 4.27Å; M71-L120 HydrophobicContact CE-CD2 4.26Å; M71-L120 HydrophobicContact SD-CD2 4.42Å; M71-V123 HydrophobicContact CE-CB 4.37Å; M71-V123 HydrophobicContact CE-CG1 3.97Å; M71-V123 HydrophobicContact CE-CG2 4Å; M71-V123 HydrophobicContact SD-CG2 3.72Å
72R98.6Very high97.2Very high127 Ų12745 Ų4548%0.47924%0.239SC..EExtended strand (participates in β ladder)trans-141.9125.3178.4-174.7-177.166.7165.1-0.6110.8A56 V57 D85 G86 R87A56-R72 CarbonylContact C-O 3.36Å; A56-R72 VanDerWaalsContact CA-O 3.24Å; A56-R72 WeakPolarHBondContact CA-O 3.44Å; V57-R72 PolarHBondContact N-O 2.9Å; V57-R72 PolarHBondContact O-N 3.42Å; R72-D85 VanDerWaalsContact CD-O 3.32Å; R72-D85 WeakPolarHBondContact CD-O 3.36Å; R72-D85 WeakPolarHBondContact CG-O 3.41Å; R72-G86 CarbonylContact C-O 3.5Å; R72-G86 VanDerWaalsContact CA-O 3.3Å; R72-G86 WeakPolarHBondContact CA-O 3.49Å; R72-R87 HydrophobicContact CG-CG 4.37Å
73F98.7Very high97.3Very high4 Ų443.6 Ų43.62%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-66.9136166.6-73.4-76.9000110.4I41 F54 P55 A56 M71 M77 I82 G86 V88 V123I41-F73 HydrophobicContact CD1-CE1 4.19Å; I41-F73 HydrophobicContact CD1-CZ 4.3Å; F54-F73 HydrophobicContact CB-CD1 3.76Å; F54-F73 HydrophobicContact CB-CE1 3.56Å; P55-F73 WeakPolarHBondContact O-CA 3.16Å; A56-F73 HydrophobicContact CB-CD1 3.9Å; A56-F73 HydrophobicContact CB-CE1 4.2Å; A56-F73 HydrophobicContact CB-CG 4.42Å; M71-F73 HydrophobicContact CE-CE1 4.42Å; M71-F73 HydrophobicContact CE-CE2 4.46Å; M71-F73 HydrophobicContact CE-CZ 4.15Å; F73-M77 HydrophobicContact CB-CG 3.7Å; F73-M77 HydrophobicContact CD1-CG 4.37Å; F73-M77 HydrophobicContact CD2-CG 4.15Å; F73-M77 HydrophobicContact CG-CG 3.82Å; F73-I82 HydrophobicContact CD2-CD1 3.6Å; F73-I82 HydrophobicContact CD2-CG1 4.26Å; F73-I82 HydrophobicContact CD2-CG2 4.32Å; F73-I82 HydrophobicContact CE2-CD1 3.49Å; F73-I82 VanDerWaalsContact CE2-CD1 3.49Å; F73-I82 HydrophobicContact CE2-CG1 4.24Å; F73-G86 PolarHBondContact N-O 2.86Å; F73-V88 HydrophobicContact CD2-CG2 3.69Å; F73-V88 HydrophobicContact CE2-CG2 3.63Å; F73-V123 HydrophobicContact CE2-CG1 4.13Å; F73-V123 HydrophobicContact CZ-CG1 3.65Å
74T98.1Very high97.3Very high78 Ų7845.8 Ų45.848%0.47924%0.235SC..SBendtrans-96.1-9.8178.955.50000112.8P55 V57P55-T74 WeakPolarHBondContact CB-OG1 3.36Å; P55-T74 WeakPolarHBondContact CG-OG1 3.49Å; P55-T74 PolarHBondContact O-N 2.93Å; P55-T74 PolarHBondContact O-OG1 3.04Å; V57-T74 HydrophobicContact CG2-CG2 3.72Å
75C97.1Very high97.2Very high31 Ų3149.5 Ų49.521%0.20926%0.255CS..SBendtrans-93.3166.3170.563.90000112.4P55 M77P55-C75 HydrophobicContact CG-CB 4.02Å; C75-M77 PolarHBondContact O-N 3.13Å
76D95.1Very high97.3Very high102 Ų10249 Ų4955%0.54525%0.253SS..  trans-58.4124.4169.6-71.9-11.5000109.9I158 K161D76-I158 VanDerWaalsContact O-CG2 3.29Å; D76-I158 WeakPolarHBondContact O-CG2 2.91Å; D76-K161 IonicContact OD2-NZ 2.68Å; D76-K161 PolarHBondContact OD2-NZ 3.38Å
77M97.7Very high97.4Very high23 Ų2349.5 Ų49.511%0.11325%0.247CC..  trans-130.7144.1174.8-68.2-60.2-74.700111F49 F54 F73 C75 I82 L127 I158F49-M77 HydrophobicContact CE1-CE 4.25Å; F54-M77 HydrophobicContact CB-SD 4.49Å; F54-M77 HydrophobicContact CD1-CE 4.3Å; F54-M77 HydrophobicContact CD1-SD 3.65Å; F54-M77 HydrophobicContact CE1-SD 4.13Å; F54-M77 HydrophobicContact CG-CE 4.3Å; F54-M77 HydrophobicContact CG-SD 4.1Å; F73-M77 HydrophobicContact CB-CG 3.7Å; F73-M77 HydrophobicContact CD1-CG 4.37Å; F73-M77 HydrophobicContact CD2-CG 4.15Å; F73-M77 HydrophobicContact CG-CG 3.82Å; C75-M77 PolarHBondContact O-N 3.13Å; M77-I82 HydrophobicContact CB-CD1 4.01Å; M77-I82 HydrophobicContact CB-CG2 4.08Å; M77-I82 HydrophobicContact CE-CD1 3.72Å; M77-I82 HydrophobicContact CG-CD1 4.24Å; M77-L127 HydrophobicContact CE-CD2 3.81Å; M77-I158 HydrophobicContact SD-CG2 4.03Å
78F97.7Very high97.5Very high41 Ų4148.3 Ų48.318%0.1824%0.238CC..  trans-132.299.4173.4-172.8-100.3000108.5D139 A140 M143 F151 L154 I158F78-D139 HydrophobicContact CE2-CB 4.43Å; F78-A140 HydrophobicContact CD1-CB 4.07Å; F78-A140 HydrophobicContact CD2-CB 4.24Å; F78-A140 HydrophobicContact CE1-CB 3.79Å; F78-A140 HydrophobicContact CE2-CB 3.96Å; F78-A140 HydrophobicContact CG-CB 4.3Å; F78-A140 HydrophobicContact CZ-CB 3.74Å; F78-M143 HydrophobicContact CE1-CB 4.38Å; F78-M143 HydrophobicContact CE1-CE 4.3Å; F78-M143 HydrophobicContact CE1-SD 3.73Å; F78-M143 HydrophobicContact CZ-CB 4.47Å; F78-M143 HydrophobicContact CZ-CE 4.05Å; F78-M143 HydrophobicContact CZ-SD 4.09Å; F78-F151 HydrophobicContact CD1-CD2 4.05Å; F78-F151 AromaticContact CD1-CE2 3.86Å; F78-F151 HydrophobicContact CD1-CE2 3.86Å; F78-F151 AromaticContact CE1-CD2 3.79Å; F78-F151 HydrophobicContact CE1-CD2 3.79Å; F78-F151 AromaticContact CE1-CE2 3.94Å; F78-F151 HydrophobicContact CE1-CE2 3.94Å; F78-L154 HydrophobicContact CD1-CB 4.46Å; F78-L154 HydrophobicContact CD1-CD1 4.05Å; F78-L154 HydrophobicContact CE1-CD1 3.86Å; F78-L154 HydrophobicContact CZ-CD1 4.2Å; F78-I158 HydrophobicContact CB-CD1 3.45Å; F78-I158 VanDerWaalsContact CB-CD1 3.45Å
79H97.8Very high97.3Very high0 Ų048.2 Ų48.20%024%0.238CC..BIsolated β-bridgetrans-152.9141.2-171.4-170-87.8000110.7F49 N81 I82 M126 N137 A140F49-H79 AromaticContact CE2-CD2 3.72Å; F49-H79 AromaticContact CZ-CD2 3.99Å; H79-N81 VanDerWaalsContact C-N 3.28Å; H79-N81 PolarHBondContact CE1-OD1 3.27Å; H79-N81 VanDerWaalsContact CE1-OD1 3.3Å; H79-N81 PolarHBondContact ND1-N 3.45Å; H79-N81 PolarHBondContact O-N 3.08Å; H79-I82 HydrophobicContact CB-CB 3.93Å; H79-I82 HydrophobicContact CB-CD1 3.55Å; H79-I82 HydrophobicContact CB-CG1 3.73Å; H79-I82 PolarHBondContact O-N 2.66Å; H79-I82 VanDerWaalsContact O-N 3.13Å; H79-M126 PolarHBondContact CE1-O 3.06Å; H79-M126 PolarHBondContact NE2-O 3.29Å; H79-M126 VanDerWaalsContact NE2-O 3.09Å; H79-N137 WeakPolarHBondContact O-CB 3.35Å; H79-A140 VanDerWaalsContact C-CB 3.48Å
80P97.4Very high97.1Very high0 Ų049.1 Ų49.10%024%0.242CC..THydrogen-bonded Turntrans-50.4-43.9178-31.638.6000113.9P130 G135 A136 N137 A140 W144P80-P130 HydrophobicContact CB-CB 4.36Å; P80-P130 HydrophobicContact CG-CB 3.74Å; P80-G135 CarbonylContact O-C 3.51Å; P80-G135 WeakPolarHBondContact O-CA 3.26Å; P80-A136 WeakPolarHBondContact O-CA 3.4Å; P80-A136 PolarHBondContact O-N 3.1Å; P80-N137 PolarHBondContact O-N 3.4Å; P80-A140 HydrophobicContact CG-CB 4.47Å; P80-W144 HydrophobicContact CG-CB 4.06Å; P80-W144 HydrophobicContact CG-CG 4.26Å
81N96.9Very high96.8Very high4 Ų442.9 Ų42.92%0.02122%0.219CC..THydrogen-bonded Turntrans-92.612.4-177.6-51.7102.9000115.2H79 C89 I90 M126 N131H79-N81 VanDerWaalsContact C-N 3.28Å; H79-N81 PolarHBondContact CE1-OD1 3.27Å; H79-N81 VanDerWaalsContact CE1-OD1 3.3Å; H79-N81 PolarHBondContact ND1-N 3.45Å; H79-N81 PolarHBondContact O-N 3.08Å; N81-C89 PolarHBondContact O-N 2.84Å; N81-I90 HydrophobicContact CB-CG2 4.3Å; N81-M126 HydrophobicContact CB-CG 3.88Å; N81-M126 HydrophobicContact CB-SD 3.59Å; N81-M126 VanDerWaalsContact CB-SD 3.59Å; N81-N131 PolarHBondContact ND2-O 2.95Å; N81-N131 PolarHBondContact OD1-N 3.39Å; N81-N131 PolarHBondContact OD1-O 3.35Å
82I97.8Very high96.6Very high0 Ų043.1 Ų43.10%022%0.221CC..BIsolated β-bridgetrans-121.7120.7177.2-55.9172.1000108.8F73 M77 H79 R87 M126 L127 N137F73-I82 HydrophobicContact CD2-CD1 3.6Å; F73-I82 HydrophobicContact CD2-CG1 4.26Å; F73-I82 HydrophobicContact CD2-CG2 4.32Å; F73-I82 HydrophobicContact CE2-CD1 3.49Å; F73-I82 VanDerWaalsContact CE2-CD1 3.49Å; F73-I82 HydrophobicContact CE2-CG1 4.24Å; M77-I82 HydrophobicContact CB-CD1 4.01Å; M77-I82 HydrophobicContact CB-CG2 4.08Å; M77-I82 HydrophobicContact CE-CD1 3.72Å; M77-I82 HydrophobicContact CG-CD1 4.24Å; H79-I82 HydrophobicContact CB-CB 3.93Å; H79-I82 HydrophobicContact CB-CD1 3.55Å; H79-I82 HydrophobicContact CB-CG1 3.73Å; H79-I82 PolarHBondContact O-N 2.66Å; H79-I82 VanDerWaalsContact O-N 3.13Å; I82-R87 CarbonylContact C-O 3.02Å; I82-R87 WeakPolarHBondContact CA-O 3.48Å; I82-M126 HydrophobicContact CD1-CE 3.99Å; I82-M126 HydrophobicContact CG1-CE 4.06Å; I82-L127 HydrophobicContact CD1-CD2 4.49Å; I82-N137 VanDerWaalsContact O-CB 3.3Å; I82-N137 WeakPolarHBondContact O-CB 3.49Å
83Y97.1Very high96.4Very high78 Ų7838 Ų3831%0.30620%0.203SC..  trans-61156.4175.1-72.7-77.7000111.3D85 G86 R87 C89 A136Y83-D85 WeakPolarHBondContact CB-OD1 3.45Å; Y83-D85 PolarHBondContact O-N 2.87Å; Y83-G86 WeakPolarHBondContact O-CA 3.44Å; Y83-G86 PolarHBondContact O-N 3.24Å; Y83-R87 HydrophobicContact CD2-CB 3.75Å; Y83-R87 WeakPolarHBondContact CD2-O 3.44Å; Y83-R87 HydrophobicContact CG-CB 4.39Å; Y83-R87 PolarHBondContact N-O 2.86Å; Y83-C89 HydrophobicContact CD2-CB 4.25Å; Y83-C89 HydrophobicContact CE2-CB 3.68Å; Y83-A136 HydrophobicContact CD1-CB 3.85Å; Y83-A136 WeakPolarHBondContact CD1-O 3.5Å; Y83-A136 HydrophobicContact CD2-CB 3.85Å; Y83-A136 HydrophobicContact CE1-CB 3.76Å; Y83-A136 HydrophobicContact CE2-CB 3.78Å; Y83-A136 HydrophobicContact CG-CB 3.89Å
84P95.4Very high96.1Very high111 Ų11140.2 Ų40.272%0.72121%0.213SC*.THydrogen-bonded Turntrans-57-20.9176.3-26.935.6000115G86P84-G86 VanDerWaalsContact C-N 3.31Å
85D96.3Very high95.7Very high80 Ų8039.3 Ų39.343%0.42821%0.213SC..THydrogen-bonded Turntrans-89.27.4175.1669.9000113.9R72 Y83 R87R72-D85 VanDerWaalsContact CD-O 3.32Å; R72-D85 WeakPolarHBondContact CD-O 3.36Å; R72-D85 WeakPolarHBondContact CG-O 3.41Å; Y83-D85 WeakPolarHBondContact CB-OD1 3.45Å; Y83-D85 PolarHBondContact O-N 2.87Å; D85-R87 VanDerWaalsContact CG-NE 3.31Å; D85-R87 WeakPolarHBondContact OD1-CB 3.28Å; D85-R87 WeakPolarHBondContact OD1-CG 3.44Å; D85-R87 IonicContact OD1-CZ 3.85Å; D85-R87 PolarHBondContact OD1-N 3.38Å; D85-R87 VanDerWaalsContact OD1-N 3.08Å; D85-R87 IonicContact OD1-NE 2.84Å; D85-R87 PolarHBondContact OD1-NE 3.12Å; D85-R87 VanDerWaalsContact OD1-NE 3.13Å; D85-R87 IonicContact OD1-NH2 2.74Å; D85-R87 IonicContact OD2-CZ 3.19Å; D85-R87 IonicContact OD2-NE 3.16Å; D85-R87 PolarHBondContact OD2-NE 3.14Å; D85-R87 IonicContact OD2-NH2 2.83Å; D85-R87 PolarHBondContact OD2-NH2 2.69Å
86G97.6Very high95.2Very high6 Ų641.2 Ų41.26%0.06223%0.226CC..SBendtrans87.2-6.2177.900000114.8R72 F73 Y83 P84 V88R72-G86 CarbonylContact C-O 3.5Å; R72-G86 VanDerWaalsContact CA-O 3.3Å; R72-G86 WeakPolarHBondContact CA-O 3.49Å; F73-G86 PolarHBondContact N-O 2.86Å; Y83-G86 WeakPolarHBondContact O-CA 3.44Å; Y83-G86 PolarHBondContact O-N 3.24Å; P84-G86 VanDerWaalsContact C-N 3.31Å; G86-V88 PolarHBondContact O-N 3.24Å
87R98.1Very high94.5Very high121 Ų12138.2 Ų38.246%0.45722%0.218SC..BIsolated β-bridgetrans-63.5135.3179.6-73.9-178.4-68.8147.6-1.6110.6R72 I82 Y83 D85R72-R87 HydrophobicContact CG-CG 4.37Å; I82-R87 CarbonylContact C-O 3.02Å; I82-R87 WeakPolarHBondContact CA-O 3.48Å; Y83-R87 HydrophobicContact CD2-CB 3.75Å; Y83-R87 WeakPolarHBondContact CD2-O 3.44Å; Y83-R87 HydrophobicContact CG-CB 4.39Å; Y83-R87 PolarHBondContact N-O 2.86Å; D85-R87 VanDerWaalsContact CG-NE 3.31Å; D85-R87 WeakPolarHBondContact OD1-CB 3.28Å; D85-R87 WeakPolarHBondContact OD1-CG 3.44Å; D85-R87 IonicContact OD1-CZ 3.85Å; D85-R87 PolarHBondContact OD1-N 3.38Å; D85-R87 VanDerWaalsContact OD1-N 3.08Å; D85-R87 IonicContact OD1-NE 2.84Å; D85-R87 PolarHBondContact OD1-NE 3.12Å; D85-R87 VanDerWaalsContact OD1-NE 3.13Å; D85-R87 IonicContact OD1-NH2 2.74Å; D85-R87 IonicContact OD2-CZ 3.19Å; D85-R87 IonicContact OD2-NE 3.16Å; D85-R87 PolarHBondContact OD2-NE 3.14Å; D85-R87 IonicContact OD2-NH2 2.83Å; D85-R87 PolarHBondContact OD2-NH2 2.69Å
88V97.4Very high93.5Very high14 Ų1443.6 Ų43.69%0.08525%0.248CC..BIsolated β-bridgetrans-89.2136178.6-175.50000109.9M71 F73 G86 I90 L93 V123 M126M71-V88 HydrophobicContact CB-CB 4.35Å; M71-V88 HydrophobicContact CB-CG2 4.29Å; M71-V88 HydrophobicContact CE-CG2 4.5Å; M71-V88 HydrophobicContact CG-CG2 3.98Å; M71-V88 PolarHBondContact O-N 3.23Å; M71-V88 HydrophobicContact SD-CG2 4.35Å; F73-V88 HydrophobicContact CD2-CG2 3.69Å; F73-V88 HydrophobicContact CE2-CG2 3.63Å; G86-V88 PolarHBondContact O-N 3.24Å; V88-I90 HydrophobicContact CG1-CD1 4.3Å; V88-I90 HydrophobicContact CG1-CG1 4.07Å; V88-I90 HydrophobicContact CG1-CG2 4.38Å; V88-L93 HydrophobicContact CB-CD1 4.09Å; V88-L93 HydrophobicContact CG1-CD1 4.11Å; V88-V123 HydrophobicContact CG1-CG2 4.17Å; V88-M126 HydrophobicContact CG1-SD 3.93Å
89C94.3Very high92.4Very high20 Ų2043 Ų4314%0.13525%0.246CC..  trans-125.989.8-177.4-168.60000110.1N81 Y83 A136N81-C89 PolarHBondContact O-N 2.84Å; Y83-C89 HydrophobicContact CD2-CB 4.25Å; Y83-C89 HydrophobicContact CE2-CB 3.68Å; C89-A136 HydrophobicContact CB-CB 3.66Å
90I92.9Very high91.3Very high21 Ų2148.1 Ų48.111%0.10828%0.28CS..  trans-137.6150.6176.755.6174.5000109.4N81 V88 I92 L93 V123 M126N81-I90 HydrophobicContact CB-CG2 4.3Å; V88-I90 HydrophobicContact CG1-CD1 4.3Å; V88-I90 HydrophobicContact CG1-CG1 4.07Å; V88-I90 HydrophobicContact CG1-CG2 4.38Å; I90-I92 VanDerWaalsContact C-N 3.26Å; I90-I92 HydrophobicContact CD1-CG2 3.56Å; I90-I92 HydrophobicContact CG1-CG2 3.79Å; I90-I92 PolarHBondContact O-N 2.82Å; I90-I92 VanDerWaalsContact O-N 3.11Å; I90-L93 HydrophobicContact CD1-CD1 4.46Å; I90-L93 HydrophobicContact CG1-CD1 3.93Å; I90-L93 HydrophobicContact CG1-CG 4.05Å; I90-L93 WeakPolarHBondContact O-CB 3.36Å; I90-L93 PolarHBondContact O-N 2.95Å; I90-V123 HydrophobicContact CD1-CG2 3.79Å; I90-M126 HydrophobicContact CG2-CB 4.21Å; I90-M126 HydrophobicContact CG2-CG 3.74Å; I90-M126 HydrophobicContact CG2-SD 3.56Å; I90-M126 VanDerWaalsContact CG2-SD 3.56Å
91S92.1Very high90.2Very high34 Ų3454.8 Ų54.824%0.23831%0.312CS..G310 helixtrans-52.1-39.7-171.265.50000113.8L93 H94 E104 E108 R109S91-L93 PolarHBondContact O-N 2.65Å; S91-L93 VanDerWaalsContact O-N 3.07Å; S91-H94 WeakPolarHBondContact O-CB 3.21Å; S91-H94 PolarHBondContact O-N 3.25Å; S91-E104 VanDerWaalsContact CA-OE1 3.29Å; S91-E104 WeakPolarHBondContact CA-OE1 3.33Å; S91-E104 VanDerWaalsContact CB-OE1 3.24Å; S91-E104 WeakPolarHBondContact CB-OE1 3.25Å; S91-E108 CarbonylContact C-O 3.59Å; S91-E108 VanDerWaalsContact C-O 3.25Å; S91-E108 VanDerWaalsContact CB-O 3.24Å; S91-E108 WeakPolarHBondContact CB-O 3.47Å; S91-E108 PolarHBondContact OG-O 2.86Å; S91-R109 WeakPolarHBondContact O-CA 3.46Å
92I94.3Very high89.2Confident10 Ų1057.6 Ų57.65%0.05134%0.343CS..G310 helixtrans-61.4-20.4179.4-168.1168.6000113.1I90 E108 W110 Q114 K118 I119I90-I92 VanDerWaalsContact C-N 3.26Å; I90-I92 HydrophobicContact CD1-CG2 3.56Å; I90-I92 HydrophobicContact CG1-CG2 3.79Å; I90-I92 PolarHBondContact O-N 2.82Å; I90-I92 VanDerWaalsContact O-N 3.11Å; I92-E108 PolarHBondContact N-O 3.47Å; I92-W110 HydrophobicContact CG1-CE3 4.41Å; I92-W110 WeakPolarHBondContact O-CB 3.43Å; I92-Q114 HydrophobicContact CD1-CB 4.35Å; I92-Q114 HydrophobicContact CD1-CG 4.22Å; I92-Q114 HydrophobicContact CG1-CB 4.47Å; I92-Q114 HydrophobicContact CG1-CG 4.15Å; I92-K118 HydrophobicContact CD1-CB 4.09Å; I92-I119 HydrophobicContact CD1-CG1 4.11Å; I92-I119 HydrophobicContact CG1-CG1 4.2Å
93L95.1Very high88Confident20 Ų2065.5 Ų65.511%0.10537%0.374CS..G310 helixtrans-96.4-3.3175.4-62.9175.8000113.1P68 P69 M71 V88 I90 S91 I119P68-L93 VanDerWaalsContact CG-O 3.26Å; P68-L93 WeakPolarHBondContact CG-O 3.32Å; P69-L93 HydrophobicContact CG-CD2 4.29Å; M71-L93 HydrophobicContact CB-CD1 3.99Å; V88-L93 HydrophobicContact CB-CD1 4.09Å; V88-L93 HydrophobicContact CG1-CD1 4.11Å; I90-L93 HydrophobicContact CD1-CD1 4.46Å; I90-L93 HydrophobicContact CG1-CD1 3.93Å; I90-L93 HydrophobicContact CG1-CG 4.05Å; I90-L93 WeakPolarHBondContact O-CB 3.36Å; I90-L93 PolarHBondContact O-N 2.95Å; S91-L93 PolarHBondContact O-N 2.65Å; S91-L93 VanDerWaalsContact O-N 3.07Å; L93-I119 HydrophobicContact CD2-CD1 4.02Å; L93-I119 HydrophobicContact CD2-CG1 4.11Å; L93-I119 HydrophobicContact CD2-CG2 3.85Å
94H92.8Very high87.1Confident51 Ų5163.4 Ų63.424%0.23637%0.367CS..SBendtrans-82.5144.5175.3-62.9165.6000110.9S91 E104 R109 W110S91-H94 WeakPolarHBondContact O-CB 3.21Å; S91-H94 PolarHBondContact O-N 3.25Å; H94-E104 IonicContact CE1-OE1 2.97Å; H94-E104 PolarHBondContact CE1-OE1 3.21Å; H94-E104 IonicContact CE1-OE2 3.74Å; H94-E104 IonicContact CG-OE2 3.63Å; H94-E104 IonicContact ND1-OE1 3.73Å; H94-E104 PolarHBondContact ND1-OE1 2.88Å; H94-E104 IonicContact ND1-OE2 2.94Å; H94-E104 PolarHBondContact ND1-OE2 3.13Å; H94-R109 HydrophobicContact CB-CG 4.45Å; H94-W110 WeakPolarHBondContact O-CB 3.4Å; H94-W110 PolarHBondContact O-N 3.07Å; H94-W110 VanDerWaalsContact O-N 3.08Å
95A89.6Confident86.2Confident58 Ų5861 Ų6148%0.47935%0.352SS..PPolyproline II helixtrans-55.2148.9-178.300000111.9
96P85.1Confident85.2Confident72 Ų7260.4 Ų60.447%0.46836%0.355SS..SBendtrans-60.9151.2178.524.3-33.3000111.8W110P96-W110 WeakPolarHBondContact CB-O 3.45Å
97G81.2Confident84.3Confident38 Ų3863.9 Ų63.939%0.39238%0.383SS..SBendtrans112.5179.8177.300000113.1R109G97-R109 WeakPolarHBondContact O-CD 3.39Å; G97-R109 PolarHBondContact O-NH1 3.24Å
98D76.6Confident83.5Confident137 Ų13763 Ų6373%0.73338%0.384SS*.  trans-65.1138-177.8-60.6-35.6000110.8P100 R109D98-P100 VanDerWaalsContact O-CD 3.25Å; D98-P100 WeakPolarHBondContact O-CD 3.47Å; D98-R109 PolarHBondContact O-NH1 2.92Å; D98-R109 VanDerWaalsContact O-NH1 3.11Å
99D75.5Confident83.2Confident27 Ų2763.5 Ų63.514%0.14438%0.384CS..  trans-68.7118.3175.2-177.227.7000110.4M101 G102 Y103 E104 R109D99-M101 PolarHBondContact O-N 2.96Å; D99-M101 PolarHBondContact OD1-N 3.43Å; D99-G102 PolarHBondContact O-N 3.26Å; D99-G102 PolarHBondContact OD2-N 3.22Å; D99-G102 VanDerWaalsContact OD2-N 3.14Å; D99-Y103 PolarHBondContact OD2-N 3.19Å; D99-E104 HydrophobicContact CB-CB 4.09Å; D99-E104 PolarHBondContact OD2-N 3.34Å; D99-R109 VanDerWaalsContact CA-NH1 3.33Å; D99-R109 IonicContact OD1-CZ 2.8Å; D99-R109 IonicContact OD1-NH2 2.8Å; D99-R109 PolarHBondContact OD1-NH2 3.34Å
100P73.8Confident83.2Confident109 Ų10962.6 Ų62.671%0.70838%0.378SS*.THydrogen-bonded Turntrans-58.3-23.2178.4-24.935.6000113.2D98D98-P100 VanDerWaalsContact O-CD 3.25Å; D98-P100 WeakPolarHBondContact O-CD 3.47Å
101M75Confident83.3Confident139 Ų13963.3 Ų63.369%0.68539%0.385SS*.THydrogen-bonded Turntrans-96.9-9.5180-59.3-64.6142.300113.3D99 Y103D99-M101 PolarHBondContact O-N 2.96Å; D99-M101 PolarHBondContact OD1-N 3.43Å; M101-Y103 VanDerWaalsContact C-N 3.28Å; M101-Y103 HydrophobicContact CB-CD2 3.41Å; M101-Y103 VanDerWaalsContact CB-CD2 3.41Å; M101-Y103 HydrophobicContact CB-CE2 3.58Å; M101-Y103 HydrophobicContact CG-CD2 4.49Å; M101-Y103 HydrophobicContact CG-CE2 4.44Å; M101-Y103 PolarHBondContact O-N 2.95Å
102G74.8Confident83.4Confident64 Ų6464.4 Ų64.466%0.6639%0.391SS*.SBendtrans69.515.8177.100000115.6D99D99-G102 PolarHBondContact O-N 3.26Å; D99-G102 PolarHBondContact OD2-N 3.22Å; D99-G102 VanDerWaalsContact OD2-N 3.14Å
103Y72.6Confident83.4Confident165 Ų16569.2 Ų69.265%0.64742%0.421SS*.SBendtrans-81.4-27.5177.6-66.3-66.7000112.3D99 M101D99-Y103 PolarHBondContact OD2-N 3.19Å; M101-Y103 VanDerWaalsContact C-N 3.28Å; M101-Y103 HydrophobicContact CB-CD2 3.41Å; M101-Y103 VanDerWaalsContact CB-CD2 3.41Å; M101-Y103 HydrophobicContact CB-CE2 3.58Å; M101-Y103 HydrophobicContact CG-CD2 4.49Å; M101-Y103 HydrophobicContact CG-CE2 4.44Å; M101-Y103 PolarHBondContact O-N 2.95Å
104E78.2Confident83.5Confident34 Ų3469.7 Ų69.716%0.15942%0.423CS..SBendtrans-118.4139.9-172.7-55.5174.6149.300111.7S91 H94 D99 R109S91-E104 VanDerWaalsContact CA-OE1 3.29Å; S91-E104 WeakPolarHBondContact CA-OE1 3.33Å; S91-E104 VanDerWaalsContact CB-OE1 3.24Å; S91-E104 WeakPolarHBondContact CB-OE1 3.25Å; H94-E104 IonicContact CE1-OE1 2.97Å; H94-E104 PolarHBondContact CE1-OE1 3.21Å; H94-E104 IonicContact CE1-OE2 3.74Å; H94-E104 IonicContact CG-OE2 3.63Å; H94-E104 IonicContact ND1-OE1 3.73Å; H94-E104 PolarHBondContact ND1-OE1 2.88Å; H94-E104 IonicContact ND1-OE2 2.94Å; H94-E104 PolarHBondContact ND1-OE2 3.13Å; D99-E104 HydrophobicContact CB-CB 4.09Å; D99-E104 PolarHBondContact OD2-N 3.34Å; E104-R109 HydrophobicContact CB-CG 4.38Å; E104-R109 IonicContact OE2-CZ 3.14Å; E104-R109 IonicContact OE2-NE 3.44Å; E104-R109 PolarHBondContact OE2-NE 2.88Å; E104-R109 IonicContact OE2-NH2 2.82Å; E104-R109 PolarHBondContact OE2-NH2 2.89Å
105S77.8Confident83.7Confident60 Ų6068.3 Ų68.342%0.4242%0.419SS..  trans-71.3144.8166172.70000110.3A107 E108 R109S105-A107 PolarHBondContact O-N 3.18Å; S105-A107 VanDerWaalsContact O-N 3.08Å; S105-A107 PolarHBondContact OG-N 3.46Å; S105-E108 PolarHBondContact N-OE2 3.08Å; S105-E108 WeakPolarHBondContact O-CB 3.05Å; S105-E108 PolarHBondContact O-N 3.43Å; S105-R109 PolarHBondContact O-N 2.67Å
106S75.1Confident84.1Confident69 Ų6965.6 Ų65.648%0.48340%0.396SS..THydrogen-bonded Turntrans-59.2-21.5172.756.30000113.1E108S106-E108 VanDerWaalsContact C-N 3.34Å
107A77.2Confident84.6Confident79 Ų7965.8 Ų65.865%0.65339%0.391SS*.THydrogen-bonded Turntrans-73.1-24.2173.700000113.6S105S105-A107 PolarHBondContact O-N 3.18Å; S105-A107 VanDerWaalsContact O-N 3.08Å; S105-A107 PolarHBondContact OG-N 3.46Å
108E82.8Confident85.4Confident103 Ų10368.1 Ų68.148%0.48139%0.39SS..THydrogen-bonded Turntrans-86.6-13.5178.9-64.6167.5154.200111.9S91 I92 S105 S106S91-E108 CarbonylContact C-O 3.59Å; S91-E108 VanDerWaalsContact C-O 3.25Å; S91-E108 VanDerWaalsContact CB-O 3.24Å; S91-E108 WeakPolarHBondContact CB-O 3.47Å; S91-E108 PolarHBondContact OG-O 2.86Å; I92-E108 PolarHBondContact N-O 3.47Å; S105-E108 PolarHBondContact N-OE2 3.08Å; S105-E108 WeakPolarHBondContact O-CB 3.05Å; S105-E108 PolarHBondContact O-N 3.43Å; S106-E108 VanDerWaalsContact C-N 3.34Å
109R90.1Very high86.4Confident23 Ų2361.6 Ų61.69%0.08736%0.355CS..SBendtrans-85170.9-179.6-67.3-170.7131.8-174.53.5113.2S91 H94 G97 D98 D99 E104 S105 S111S91-R109 WeakPolarHBondContact O-CA 3.46Å; H94-R109 HydrophobicContact CB-CG 4.45Å; G97-R109 WeakPolarHBondContact O-CD 3.39Å; G97-R109 PolarHBondContact O-NH1 3.24Å; D98-R109 PolarHBondContact O-NH1 2.92Å; D98-R109 VanDerWaalsContact O-NH1 3.11Å; D99-R109 VanDerWaalsContact CA-NH1 3.33Å; D99-R109 IonicContact OD1-CZ 2.8Å; D99-R109 IonicContact OD1-NH2 2.8Å; D99-R109 PolarHBondContact OD1-NH2 3.34Å; E104-R109 HydrophobicContact CB-CG 4.38Å; E104-R109 IonicContact OE2-CZ 3.14Å; E104-R109 IonicContact OE2-NE 3.44Å; E104-R109 PolarHBondContact OE2-NE 2.88Å; E104-R109 IonicContact OE2-NH2 2.82Å; E104-R109 PolarHBondContact OE2-NH2 2.89Å; S105-R109 PolarHBondContact O-N 2.67Å; R109-S111 PolarHBondContact O-N 3.43Å
110W95.3Very high87.5Confident2 Ų260.3 Ų60.31%0.00835%0.348CS..  trans-56.9138.2176.4-178.9-105.1000111.5Y64 P65 L66 P68 I92 H94 P96 Q114 I119Y64-W110 HydrophobicContact CD2-CZ2 4.11Å; Y64-W110 AromaticContact CE2-CH2 3.55Å; Y64-W110 HydrophobicContact CE2-CH2 3.55Å; Y64-W110 AromaticContact CE2-CZ2 3.45Å; Y64-W110 HydrophobicContact CE2-CZ2 3.45Å; Y64-W110 VanDerWaalsContact CE2-CZ2 3.45Å; P65-W110 HydrophobicContact CB-CZ2 4.12Å; P65-W110 PolarHBondContact O-NE1 3.02Å; L66-W110 PolarHBondContact O-NE1 3.25Å; P68-W110 HydrophobicContact CB-CB 3.85Å; P68-W110 HydrophobicContact CB-CD2 3.57Å; P68-W110 HydrophobicContact CB-CE3 3.93Å; P68-W110 HydrophobicContact CB-CG 3.53Å; P68-W110 VanDerWaalsContact CD-CD1 3.46Å; P68-W110 HydrophobicContact CG-CB 3.91Å; P68-W110 HydrophobicContact CG-CD2 4.44Å; P68-W110 HydrophobicContact CG-CG 3.9Å; I92-W110 HydrophobicContact CG1-CE3 4.41Å; I92-W110 WeakPolarHBondContact O-CB 3.43Å; H94-W110 WeakPolarHBondContact O-CB 3.4Å; H94-W110 PolarHBondContact O-N 3.07Å; H94-W110 VanDerWaalsContact O-N 3.08Å; P96-W110 WeakPolarHBondContact CB-O 3.45Å; W110-Q114 HydrophobicContact CD2-CB 4.48Å; W110-Q114 HydrophobicContact CE3-CB 3.69Å; W110-Q114 HydrophobicContact CE3-CG 4.16Å; W110-Q114 HydrophobicContact CH2-CB 3.96Å; W110-Q114 HydrophobicContact CZ3-CB 3.39Å; W110-Q114 HydrophobicContact CZ3-CG 4.35Å; W110-I119 HydrophobicContact CE3-CD1 4.43Å; W110-I119 HydrophobicContact CH2-CD1 4.25Å; W110-I119 HydrophobicContact CZ3-CD1 3.6Å; W110-I119 HydrophobicContact CZ3-CG1 4.12Å
111S94.3Very high88.5Confident36 Ų3658.7 Ų58.725%0.25233%0.333SS..  trans-147.2157165.257.70000109.4R109 V113 Q114R109-S111 PolarHBondContact O-N 3.43Å; S111-V113 PolarHBondContact O-N 3Å; S111-V113 WeakPolarHBondContact OG-CG2 3.46Å; S111-Q114 WeakPolarHBondContact O-CB 3.37Å; S111-Q114 WeakPolarHBondContact O-CG 3.45Å; S111-Q114 PolarHBondContact O-N 3.29Å
112P94.8Very high89.6Confident57 Ų5754.1 Ų54.137%0.3732%0.315SS..THydrogen-bonded Turntrans-59.3-11.1-178.2-28.236.5000116R8 P65 L66R8-P112 PolarHBondContact NH1-O 3.12Å; P65-P112 HydrophobicContact CB-CB 4.41Å; P65-P112 HydrophobicContact CG-CB 4.15Å; L66-P112 HydrophobicContact CD2-CG 4.29Å
113V94.6Very high90.6Very high111 Ų11151 Ų5167%0.67328%0.283SS*.THydrogen-bonded Turntrans-83.8-10.6174.9-600000113.5S111 K118S111-V113 PolarHBondContact O-N 3Å; S111-V113 WeakPolarHBondContact OG-CG2 3.46Å; V113-K118 PolarHBondContact O-NZ 2.88Å
114Q96.3Very high91.8Very high30 Ų3044.7 Ų44.714%0.1426%0.262CS..  trans-75.7161.2170.9-56.4-61.49.900110.5R8 I92 W110 S111R8-Q114 PolarHBondContact NH2-O 3.11Å; I92-Q114 HydrophobicContact CD1-CB 4.35Å; I92-Q114 HydrophobicContact CD1-CG 4.22Å; I92-Q114 HydrophobicContact CG1-CB 4.47Å; I92-Q114 HydrophobicContact CG1-CG 4.15Å; W110-Q114 HydrophobicContact CD2-CB 4.48Å; W110-Q114 HydrophobicContact CE3-CB 3.69Å; W110-Q114 HydrophobicContact CE3-CG 4.16Å; W110-Q114 HydrophobicContact CH2-CB 3.96Å; W110-Q114 HydrophobicContact CZ3-CB 3.39Å; W110-Q114 HydrophobicContact CZ3-CG 4.35Å; S111-Q114 WeakPolarHBondContact O-CB 3.37Å; S111-Q114 WeakPolarHBondContact O-CG 3.45Å; S111-Q114 PolarHBondContact O-N 3.29Å
115S96.8Very high92.6Very high22 Ų2246.5 Ų46.515%0.15428%0.278CS..  trans-135.6164.8-178.860.40000110.7E12 E117 K118 I119E12-S115 VanDerWaalsContact OE2-CA 3.29Å; E12-S115 WeakPolarHBondContact OE2-CA 3.49Å; E12-S115 WeakPolarHBondContact OE2-CB 3.36Å; S115-E117 VanDerWaalsContact C-N 3.26Å; S115-E117 PolarHBondContact O-N 3.15Å; S115-K118 PolarHBondContact O-N 2.87Å; S115-K118 VanDerWaalsContact O-N 3.17Å; S115-K118 WeakPolarHBondContact OG-CG 3.29Å; S115-K118 PolarHBondContact OG-N 3.07Å; S115-I119 PolarHBondContact O-N 3.45Å
116V97.6Very high93.4Very high0 Ų044.2 Ų44.20%026%0.261CS..Hα-helixtrans-56.3-43.2172.3176.40000110.7E12 L16 W37 L58 F60 K118 I119 L120E12-V116 WeakPolarHBondContact OE2-CG2 3.38Å; E12-V116 PolarHBondContact OE2-N 2.7Å; L16-V116 HydrophobicContact CD1-CB 4.09Å; L16-V116 HydrophobicContact CD1-CG1 3.86Å; W37-V116 HydrophobicContact CE3-CG1 4.15Å; W37-V116 HydrophobicContact CH2-CG2 4.48Å; W37-V116 HydrophobicContact CZ3-CB 4.42Å; W37-V116 HydrophobicContact CZ3-CG1 3.87Å; W37-V116 HydrophobicContact CZ3-CG2 4.4Å; L58-V116 HydrophobicContact CD2-CG1 4.16Å; F60-V116 HydrophobicContact CE1-CG2 3.52Å; F60-V116 HydrophobicContact CZ-CG2 3.52Å; V116-K118 VanDerWaalsContact C-N 3.35Å; V116-K118 PolarHBondContact O-N 3.48Å; V116-I119 WeakPolarHBondContact O-CB 3.32Å; V116-I119 PolarHBondContact O-N 3.44Å; V116-L120 HydrophobicContact CG1-CD1 3.83Å; V116-L120 HydrophobicContact CG1-CG 4.3Å; V116-L120 VanDerWaalsContact O-CG 3.31Å; V116-L120 WeakPolarHBondContact O-CG 3.45Å; V116-L120 PolarHBondContact O-N 3.13Å
117E97.4Very high94.4Very high76 Ų7641 Ų4136%0.35524%0.238SC..Hα-helixtrans-54.3-49.7174.6-176.1-177.9-164.900111.9L16 P21 S115 I119 L120 L121L16-E117 HydrophobicContact CD2-CB 3.85Å; L16-E117 HydrophobicContact CD2-CG 4.18Å; P21-E117 HydrophobicContact CG-CG 4.23Å; S115-E117 VanDerWaalsContact C-N 3.26Å; S115-E117 PolarHBondContact O-N 3.15Å; E117-I119 VanDerWaalsContact C-N 3.33Å; E117-I119 PolarHBondContact O-N 2.87Å; E117-L120 PolarHBondContact O-N 3.48Å; E117-L121 HydrophobicContact CG-CD1 4.07Å; E117-L121 WeakPolarHBondContact O-CG 3.49Å; E117-L121 PolarHBondContact O-N 3.36Å
118K96.8Very high95.3Very high88 Ų8839.1 Ų39.138%0.38322%0.223SC..Hα-helixtrans-63.5-38.3179-71.1180-176.5174.80112.3I92 V113 S115 V116 L121 S122I92-K118 HydrophobicContact CD1-CB 4.09Å; V113-K118 PolarHBondContact O-NZ 2.88Å; S115-K118 PolarHBondContact O-N 2.87Å; S115-K118 VanDerWaalsContact O-N 3.17Å; S115-K118 WeakPolarHBondContact OG-CG 3.29Å; S115-K118 PolarHBondContact OG-N 3.07Å; V116-K118 VanDerWaalsContact C-N 3.35Å; V116-K118 PolarHBondContact O-N 3.48Å; K118-L121 PolarHBondContact O-N 2.99Å; K118-S122 WeakPolarHBondContact O-CB 3.3Å; K118-S122 PolarHBondContact O-N 3.29Å; K118-S122 PolarHBondContact O-OG 3.14Å; K118-S122 VanDerWaalsContact O-OG 3.04Å
119I97.6Very high95.7Very high0 Ų041.7 Ų41.70%024%0.235CC..Hα-helixtrans-58.3-51.1173.5-69.7162.2000110P69 M71 I92 L93 W110 S115 V116 E117 L121 S122 V123P69-I119 HydrophobicContact CG-CD1 3.46Å; P69-I119 VanDerWaalsContact CG-CD1 3.46Å; M71-I119 HydrophobicContact SD-CG2 4.27Å; I92-I119 HydrophobicContact CD1-CG1 4.11Å; I92-I119 HydrophobicContact CG1-CG1 4.2Å; L93-I119 HydrophobicContact CD2-CD1 4.02Å; L93-I119 HydrophobicContact CD2-CG1 4.11Å; L93-I119 HydrophobicContact CD2-CG2 3.85Å; W110-I119 HydrophobicContact CE3-CD1 4.43Å; W110-I119 HydrophobicContact CH2-CD1 4.25Å; W110-I119 HydrophobicContact CZ3-CD1 3.6Å; W110-I119 HydrophobicContact CZ3-CG1 4.12Å; S115-I119 PolarHBondContact O-N 3.45Å; V116-I119 WeakPolarHBondContact O-CB 3.32Å; V116-I119 PolarHBondContact O-N 3.44Å; E117-I119 VanDerWaalsContact C-N 3.33Å; E117-I119 PolarHBondContact O-N 2.87Å; I119-L121 VanDerWaalsContact C-N 3.35Å; I119-L121 PolarHBondContact O-N 3.36Å; I119-S122 WeakPolarHBondContact O-CB 3.26Å; I119-S122 PolarHBondContact O-N 3.11Å; I119-V123 WeakPolarHBondContact O-CG2 3.35Å; I119-V123 PolarHBondContact O-N 2.79Å
120L97.9Very high95.7Very high0 Ų041.2 Ų41.20%024%0.235CC..Hα-helixtrans-65.2-39.6-176.2-63.6169.6000111.4I24 A26 A39 I41 L58 M71 V116 E117 V123 V124I24-L120 HydrophobicContact CD1-CB 3.94Å; I24-L120 HydrophobicContact CG2-CB 3.98Å; I24-L120 HydrophobicContact CG2-CD1 3.62Å; I24-L120 HydrophobicContact CG2-CG 4.27Å; A26-L120 HydrophobicContact CB-CD1 3.61Å; A39-L120 HydrophobicContact CB-CD2 4.02Å; I41-L120 HydrophobicContact CD1-CD2 3.99Å; I41-L120 HydrophobicContact CG1-CD2 4.5Å; L58-L120 HydrophobicContact CD1-CD2 4.28Å; M71-L120 HydrophobicContact CE-CD2 4.26Å; M71-L120 HydrophobicContact SD-CD2 4.42Å; V116-L120 HydrophobicContact CG1-CD1 3.83Å; V116-L120 HydrophobicContact CG1-CG 4.3Å; V116-L120 VanDerWaalsContact O-CG 3.31Å; V116-L120 WeakPolarHBondContact O-CG 3.45Å; V116-L120 PolarHBondContact O-N 3.13Å; E117-L120 PolarHBondContact O-N 3.48Å; L120-V123 PolarHBondContact O-N 3.41Å; L120-V124 WeakPolarHBondContact O-CG2 3.29Å; L120-V124 PolarHBondContact O-N 3.09Å
121L96.8Very high95.2Very high74 Ų7444.4 Ų44.439%0.38725%0.252SS..Hα-helixtrans-61.9-43.8172.2-69.6172.8000111.9P21 I24 E117 K118 I119 V123 V124 S125P21-L121 HydrophobicContact CB-CD2 4.17Å; I24-L121 HydrophobicContact CD1-CD2 4.17Å; E117-L121 HydrophobicContact CG-CD1 4.07Å; E117-L121 WeakPolarHBondContact O-CG 3.49Å; E117-L121 PolarHBondContact O-N 3.36Å; K118-L121 PolarHBondContact O-N 2.99Å; I119-L121 VanDerWaalsContact C-N 3.35Å; I119-L121 PolarHBondContact O-N 3.36Å; L121-V123 PolarHBondContact O-N 3.27Å; L121-V124 PolarHBondContact O-N 3.49Å; L121-S125 PolarHBondContact O-N 2.89Å; L121-S125 PolarHBondContact O-OG 3.07Å
122S96.1Very high94.6Very high43 Ų4344.8 Ų44.830%0.30125%0.251SS..Hα-helixtrans-61.5-32.9174.4-65.30000112.6K118 I119 M126K118-S122 WeakPolarHBondContact O-CB 3.3Å; K118-S122 PolarHBondContact O-N 3.29Å; K118-S122 PolarHBondContact O-OG 3.14Å; K118-S122 VanDerWaalsContact O-OG 3.04Å; I119-S122 WeakPolarHBondContact O-CB 3.26Å; I119-S122 PolarHBondContact O-N 3.11Å; S122-M126 VanDerWaalsContact O-CB 3.25Å; S122-M126 WeakPolarHBondContact O-CB 3.24Å; S122-M126 PolarHBondContact O-N 3.03Å
123V97.3Very high93.6Very high0 Ų049.8 Ų49.80%027%0.27CS..Hα-helixtrans-70.3-40.4174.3172.20000111.8I41 M71 F73 V88 I90 I119 L120 L121 M126 L127I41-V123 HydrophobicContact CD1-CB 4.47Å; I41-V123 HydrophobicContact CD1-CG1 3.89Å; M71-V123 HydrophobicContact CE-CB 4.37Å; M71-V123 HydrophobicContact CE-CG1 3.97Å; M71-V123 HydrophobicContact CE-CG2 4Å; M71-V123 HydrophobicContact SD-CG2 3.72Å; F73-V123 HydrophobicContact CE2-CG1 4.13Å; F73-V123 HydrophobicContact CZ-CG1 3.65Å; V88-V123 HydrophobicContact CG1-CG2 4.17Å; I90-V123 HydrophobicContact CD1-CG2 3.79Å; I119-V123 WeakPolarHBondContact O-CG2 3.35Å; I119-V123 PolarHBondContact O-N 2.79Å; L120-V123 PolarHBondContact O-N 3.41Å; L121-V123 PolarHBondContact O-N 3.27Å; V123-M126 HydrophobicContact CG1-CE 4.18Å; V123-M126 WeakPolarHBondContact O-CB 3.24Å; V123-M126 PolarHBondContact O-N 2.88Å; V123-L127 WeakPolarHBondContact O-CG 3.35Å; V123-L127 PolarHBondContact O-N 2.86Å
124V96.9Very high92.5Very high32 Ų3247.1 Ų47.119%0.19426%0.256CS..Hα-helixtrans-60.4-46.8173172.30000110.5I24 I41 P44 L120 L121 M126 L127 A128I24-V124 HydrophobicContact CD1-CG2 3.75Å; I24-V124 HydrophobicContact CG1-CG2 4.07Å; I41-V124 HydrophobicContact CG2-CG2 3.69Å; P44-V124 HydrophobicContact CB-CG1 4.16Å; P44-V124 HydrophobicContact CG-CG1 3.83Å; P44-V124 WeakPolarHBondContact CG-O 3.49Å; L120-V124 WeakPolarHBondContact O-CG2 3.29Å; L120-V124 PolarHBondContact O-N 3.09Å; L121-V124 PolarHBondContact O-N 3.49Å; V124-M126 VanDerWaalsContact C-N 3.33Å; V124-M126 PolarHBondContact O-N 3.08Å; V124-L127 PolarHBondContact O-N 3.18Å; V124-A128 PolarHBondContact O-N 3.24Å
125S95.3Very high91.8Very high71 Ų7146.8 Ų46.850%0.49726%0.261SS..Hα-helixtrans-60.7-41.4174.5-58.50000112.3L121 L127 A128 E129L121-S125 PolarHBondContact O-N 2.89Å; L121-S125 PolarHBondContact O-OG 3.07Å; S125-L127 VanDerWaalsContact C-N 3.33Å; S125-L127 PolarHBondContact O-N 3.38Å; S125-A128 WeakPolarHBondContact O-CB 3.44Å; S125-A128 PolarHBondContact O-N 2.83Å; S125-A128 VanDerWaalsContact O-N 3.13Å; S125-E129 PolarHBondContact O-N 3Å
126M95.3Very high91.6Very high12 Ų1246.5 Ų46.56%0.05926%0.26CS..Hα-helixtrans-61-39176.8177.3-145.371.700112.2H79 N81 I82 V88 I90 S122 V123 V124 A128 E129H79-M126 PolarHBondContact CE1-O 3.06Å; H79-M126 PolarHBondContact NE2-O 3.29Å; H79-M126 VanDerWaalsContact NE2-O 3.09Å; N81-M126 HydrophobicContact CB-CG 3.88Å; N81-M126 HydrophobicContact CB-SD 3.59Å; N81-M126 VanDerWaalsContact CB-SD 3.59Å; I82-M126 HydrophobicContact CD1-CE 3.99Å; I82-M126 HydrophobicContact CG1-CE 4.06Å; V88-M126 HydrophobicContact CG1-SD 3.93Å; I90-M126 HydrophobicContact CG2-CB 4.21Å; I90-M126 HydrophobicContact CG2-CG 3.74Å; I90-M126 HydrophobicContact CG2-SD 3.56Å; I90-M126 VanDerWaalsContact CG2-SD 3.56Å; S122-M126 VanDerWaalsContact O-CB 3.25Å; S122-M126 WeakPolarHBondContact O-CB 3.24Å; S122-M126 PolarHBondContact O-N 3.03Å; V123-M126 HydrophobicContact CG1-CE 4.18Å; V123-M126 WeakPolarHBondContact O-CB 3.24Å; V123-M126 PolarHBondContact O-N 2.88Å; V124-M126 VanDerWaalsContact C-N 3.33Å; V124-M126 PolarHBondContact O-N 3.08Å; M126-A128 VanDerWaalsContact C-N 3.29Å; M126-A128 PolarHBondContact O-N 3.25Å; M126-E129 CarbonylContact O-C 3.6Å
127L96.3Very high91.5Very high1 Ų147.1 Ų47.11%0.00526%0.263CS..Hα-helixtrans-66.3-32.2175.8-70.3174.8000112.4I41 P44 F49 F54 M77 I82 V123 V124 S125I41-L127 HydrophobicContact CG2-CD1 4.33Å; P44-L127 HydrophobicContact CG-CB 4.17Å; F49-L127 HydrophobicContact CD2-CB 4.27Å; F49-L127 HydrophobicContact CD2-CD2 4.15Å; F49-L127 HydrophobicContact CE2-CD2 4.23Å; F49-L127 HydrophobicContact CG-CD2 4.48Å; F54-L127 HydrophobicContact CD2-CD1 4.18Å; F54-L127 HydrophobicContact CE2-CD1 4.44Å; M77-L127 HydrophobicContact CE-CD2 3.81Å; I82-L127 HydrophobicContact CD1-CD2 4.49Å; V123-L127 WeakPolarHBondContact O-CG 3.35Å; V123-L127 PolarHBondContact O-N 2.86Å; V124-L127 PolarHBondContact O-N 3.18Å; S125-L127 VanDerWaalsContact C-N 3.33Å; S125-L127 PolarHBondContact O-N 3.38Å
128A94.9Very high91.4Very high40 Ų4048.5 Ų48.533%0.33128%0.276SS..Hα-helixtrans-75.6-43.1176.900000112.2P44 T47 V124 S125 M126 P130P44-A128 HydrophobicContact CG-CB 4.21Å; T47-A128 HydrophobicContact CG2-CB 3.67Å; V124-A128 PolarHBondContact O-N 3.24Å; S125-A128 WeakPolarHBondContact O-CB 3.44Å; S125-A128 PolarHBondContact O-N 2.83Å; S125-A128 VanDerWaalsContact O-N 3.13Å; M126-A128 VanDerWaalsContact C-N 3.29Å; M126-A128 PolarHBondContact O-N 3.25Å; A128-P130 WeakPolarHBondContact O-CD 3.14Å
129E92Very high91.3Very high157 Ų15749.8 Ų49.873%0.73429%0.287SS*.SBendtrans-126.283.6-174.7-62.8-176121.300110.5S125 M126 N131S125-E129 PolarHBondContact O-N 3Å; M126-E129 CarbonylContact O-C 3.6Å; E129-N131 PolarHBondContact O-N 3.03Å
130P89.8Confident91.3Very high13 Ų1349.8 Ų49.88%0.08429%0.287CS..  trans-60130.1178.1-22.831.1000112.3P80 A128 W144P80-P130 HydrophobicContact CB-CB 4.36Å; P80-P130 HydrophobicContact CG-CB 3.74Å; A128-P130 WeakPolarHBondContact O-CD 3.14Å; P130-W144 HydrophobicContact CB-CD2 4.17Å; P130-W144 HydrophobicContact CB-CZ2 4.15Å; P130-W144 HydrophobicContact CG-CD2 4.11Å; P130-W144 HydrophobicContact CG-CE3 4.07Å; P130-W144 HydrophobicContact CG-CH2 3.66Å; P130-W144 HydrophobicContact CG-CZ2 3.69Å; P130-W144 HydrophobicContact CG-CZ3 3.84Å
131N84.6Confident91.2Very high69 Ų6950 Ų5037%0.36929%0.288SS..  trans-94115.7172.5-178.7-17.6000109.7N81 E129 E133N81-N131 PolarHBondContact ND2-O 2.95Å; N81-N131 PolarHBondContact OD1-N 3.39Å; N81-N131 PolarHBondContact OD1-O 3.35Å; E129-N131 PolarHBondContact O-N 3.03Å; N131-E133 WeakPolarHBondContact OD1-CB 3.36Å; N131-E133 PolarHBondContact OD1-N 3.4Å
132D80.8Confident91.1Very high44 Ų4451.5 Ų51.524%0.23529%0.292CS..  trans-105.21.5-17673.2-48.9000114.4R145D132-R145 PolarHBondContact O-NH1 3.4Å; D132-R145 WeakPolarHBondContact OD2-CD 3.35Å; D132-R145 WeakPolarHBondContact OD2-CG 3.42Å; D132-R145 IonicContact OD2-CZ 3.65Å; D132-R145 IonicContact OD2-NE 3.73Å; D132-R145 IonicContact OD2-NH1 2.78Å; D132-R145 PolarHBondContact OD2-NH1 2.88Å
133E73.8Confident91.1Very high163 Ų16351 Ų5176%0.76229%0.285SS*.THydrogen-bonded Turntrans-71.1-35176.4-62.1-168.9157.500111.7N131N131-E133 WeakPolarHBondContact OD1-CB 3.36Å; N131-E133 PolarHBondContact OD1-N 3.4Å
134S71.8Confident91.1Very high54 Ų5452.4 Ų52.438%0.37829%0.291SS..THydrogen-bonded Turntrans-127.644.3179.256.50000112.2A136S134-A136 PolarHBondContact O-N 3.01Å
135G82.7Confident90.9Very high24 Ų2457 Ų5725%0.24731%0.305CS..  trans-60.9122.7-174.300000114.7P80 N137 S141P80-G135 CarbonylContact O-C 3.51Å; P80-G135 WeakPolarHBondContact O-CA 3.26Å; G135-N137 VanDerWaalsContact C-N 3.28Å; G135-N137 PolarHBondContact O-N 2.98Å; G135-S141 WeakPolarHBondContact CA-OG 3.3Å
136A92.3Very high91Very high16 Ų1660.2 Ų60.213%0.13231%0.312CS..SBendtrans-66.9-26170.500000113.5P80 Y83 C89 S134P80-A136 WeakPolarHBondContact O-CA 3.4Å; P80-A136 PolarHBondContact O-N 3.1Å; Y83-A136 HydrophobicContact CD1-CB 3.85Å; Y83-A136 WeakPolarHBondContact CD1-O 3.5Å; Y83-A136 HydrophobicContact CD2-CB 3.85Å; Y83-A136 HydrophobicContact CE1-CB 3.76Å; Y83-A136 HydrophobicContact CE2-CB 3.78Å; Y83-A136 HydrophobicContact CG-CB 3.89Å; C89-A136 HydrophobicContact CB-CB 3.66Å; S134-A136 PolarHBondContact O-N 3.01Å
137N95.6Very high91.1Very high12 Ų1262.9 Ų62.96%0.06433%0.326CS..  trans-119.4106.2175.2-177.5-24.6000109.8H79 P80 I82 G135 D139 A140 S141H79-N137 WeakPolarHBondContact O-CB 3.35Å; P80-N137 PolarHBondContact O-N 3.4Å; I82-N137 VanDerWaalsContact O-CB 3.3Å; I82-N137 WeakPolarHBondContact O-CB 3.49Å; G135-N137 VanDerWaalsContact C-N 3.28Å; G135-N137 PolarHBondContact O-N 2.98Å; N137-D139 VanDerWaalsContact C-N 3.35Å; N137-D139 PolarHBondContact O-N 3.01Å; N137-D139 PolarHBondContact OD1-N 2.84Å; N137-D139 VanDerWaalsContact OD1-N 3.17Å; N137-A140 HydrophobicContact CB-CB 3.88Å; N137-A140 VanDerWaalsContact CG-CB 3.49Å; N137-A140 PolarHBondContact O-N 3.13Å; N137-A140 PolarHBondContact OD1-N 2.74Å; N137-S141 WeakPolarHBondContact O-CB 3.48Å; N137-S141 PolarHBondContact O-N 3.05Å; N137-S141 PolarHBondContact O-OG 3.3Å
138V94.4Very high91.1Very high105 Ų10567.3 Ų67.364%0.63634%0.343SS*.Hα-helixtrans-64-40.2-175.8179.40000111.5S141 K142V138-S141 PolarHBondContact O-N 3.24Å; V138-K142 WeakPolarHBondContact O-CB 3.35Å; V138-K142 PolarHBondContact O-N 3.13Å
139D95.4Very high91.2Very high115 Ų11572 Ų7262%0.61536%0.358SS*.Hα-helixtrans-67.8-43.6-179.9-65.4-33.6000111.1F78 N137 S141 K142 M143F78-D139 HydrophobicContact CE2-CB 4.43Å; N137-D139 VanDerWaalsContact C-N 3.35Å; N137-D139 PolarHBondContact O-N 3.01Å; N137-D139 PolarHBondContact OD1-N 2.84Å; N137-D139 VanDerWaalsContact OD1-N 3.17Å; D139-S141 VanDerWaalsContact C-N 3.35Å; D139-K142 PolarHBondContact O-N 2.86Å; D139-M143 WeakPolarHBondContact O-CB 3.37Å; D139-M143 PolarHBondContact O-N 3.08Å
140A96.7Very high91.5Very high0 Ų068.8 Ų68.80%034%0.343CS..Hα-helixtrans-63.7-41.417500000111.7F78 H79 P80 N137 M143 W144 F151F78-A140 HydrophobicContact CD1-CB 4.07Å; F78-A140 HydrophobicContact CD2-CB 4.24Å; F78-A140 HydrophobicContact CE1-CB 3.79Å; F78-A140 HydrophobicContact CE2-CB 3.96Å; F78-A140 HydrophobicContact CG-CB 4.3Å; F78-A140 HydrophobicContact CZ-CB 3.74Å; H79-A140 VanDerWaalsContact C-CB 3.48Å; P80-A140 HydrophobicContact CG-CB 4.47Å; N137-A140 HydrophobicContact CB-CB 3.88Å; N137-A140 VanDerWaalsContact CG-CB 3.49Å; N137-A140 PolarHBondContact O-N 3.13Å; N137-A140 PolarHBondContact OD1-N 2.74Å; A140-M143 PolarHBondContact O-N 2.92Å; A140-W144 WeakPolarHBondContact O-CB 3.41Å; A140-W144 PolarHBondContact O-N 2.8Å; A140-F151 HydrophobicContact CB-CE2 4.33Å
141S95.8Very high91.9Very high4 Ų468.2 Ų68.23%0.02834%0.339CS..Hα-helixtrans-64.7-43.4177.2-54.30000111.8G135 N137 V138 D139 W144 R145G135-S141 WeakPolarHBondContact CA-OG 3.3Å; N137-S141 WeakPolarHBondContact O-CB 3.48Å; N137-S141 PolarHBondContact O-N 3.05Å; N137-S141 PolarHBondContact O-OG 3.3Å; V138-S141 PolarHBondContact O-N 3.24Å; D139-S141 VanDerWaalsContact C-N 3.35Å; S141-W144 PolarHBondContact O-N 2.96Å; S141-R145 PolarHBondContact O-N 2.94Å; S141-R145 VanDerWaalsContact O-N 3.17Å
142K95.7Very high92.5Very high106 Ų10669.4 Ų69.446%0.46134%0.339SS..Hα-helixtrans-63.1-48176.1-174.5-179.7177.9-178.40111.2V138 D139 W144 R145 E146V138-K142 WeakPolarHBondContact O-CB 3.35Å; V138-K142 PolarHBondContact O-N 3.13Å; D139-K142 PolarHBondContact O-N 2.86Å; K142-W144 VanDerWaalsContact C-N 3.32Å; K142-W144 PolarHBondContact O-N 3.01Å; K142-R145 PolarHBondContact O-N 3.44Å; K142-E146 VanDerWaalsContact CE-CD 3.4Å; K142-E146 VanDerWaalsContact CE-OE1 3.32Å; K142-E146 WeakPolarHBondContact CE-OE1 3.25Å; K142-E146 WeakPolarHBondContact CE-OE2 3.36Å; K142-E146 HydrophobicContact CG-CG 4.34Å; K142-E146 WeakPolarHBondContact CG-OE1 3.21Å; K142-E146 IonicContact NZ-OE2 3.86Å; K142-E146 WeakPolarHBondContact O-CB 3.49Å; K142-E146 PolarHBondContact O-N 3.14Å
143M96.8Very high93.3Very high32 Ų3273.1 Ų73.116%0.15835%0.353CS..Hα-helixtrans-64.5-38.6179-168.3179.8-67.500111.6F78 D139 A140 R145 D147 Q150 F151 L154F78-M143 HydrophobicContact CE1-CB 4.38Å; F78-M143 HydrophobicContact CE1-CE 4.3Å; F78-M143 HydrophobicContact CE1-SD 3.73Å; F78-M143 HydrophobicContact CZ-CB 4.47Å; F78-M143 HydrophobicContact CZ-CE 4.05Å; F78-M143 HydrophobicContact CZ-SD 4.09Å; D139-M143 WeakPolarHBondContact O-CB 3.37Å; D139-M143 PolarHBondContact O-N 3.08Å; A140-M143 PolarHBondContact O-N 2.92Å; M143-R145 VanDerWaalsContact C-N 3.26Å; M143-R145 PolarHBondContact O-N 2.89Å; M143-D147 HydrophobicContact CG-CB 4.37Å; M143-D147 CarbonylContact O-C 3.36Å; M143-D147 WeakPolarHBondContact O-CA 3.39Å; M143-D147 PolarHBondContact O-N 3.17Å; M143-Q150 HydrophobicContact CE-CG 4.04Å; M143-Q150 HydrophobicContact CG-CB 4.3Å; M143-Q150 HydrophobicContact SD-CB 4.02Å; M143-Q150 HydrophobicContact SD-CG 3.74Å; M143-F151 HydrophobicContact CB-CD2 4.44Å; M143-F151 HydrophobicContact CG-CB 4.02Å; M143-F151 HydrophobicContact SD-CB 4.24Å; M143-L154 HydrophobicContact CE-CD1 3.83Å; M143-L154 HydrophobicContact SD-CD1 3.57Å; M143-L154 VanDerWaalsContact SD-CD1 3.57Å; M143-L154 HydrophobicContact SD-CG 4.47Å
144W95.8Very high94.4Very high30 Ų3067.7 Ų67.711%0.11433%0.329CS..Hα-helixtrans-58.3-37.7174.4178.3-108000112.9P80 P130 A140 S141 K142 R148 F151 Y152P80-W144 HydrophobicContact CG-CB 4.06Å; P80-W144 HydrophobicContact CG-CG 4.26Å; P130-W144 HydrophobicContact CB-CD2 4.17Å; P130-W144 HydrophobicContact CB-CZ2 4.15Å; P130-W144 HydrophobicContact CG-CD2 4.11Å; P130-W144 HydrophobicContact CG-CE3 4.07Å; P130-W144 HydrophobicContact CG-CH2 3.66Å; P130-W144 HydrophobicContact CG-CZ2 3.69Å; P130-W144 HydrophobicContact CG-CZ3 3.84Å; A140-W144 WeakPolarHBondContact O-CB 3.41Å; A140-W144 PolarHBondContact O-N 2.8Å; S141-W144 PolarHBondContact O-N 2.96Å; K142-W144 VanDerWaalsContact C-N 3.32Å; K142-W144 PolarHBondContact O-N 3.01Å; W144-R148 VanDerWaalsContact CD2-CZ 3.49Å; W144-R148 VanDerWaalsContact CH2-CZ 3.47Å; W144-R148 VanDerWaalsContact CH2-NH1 3.27Å; W144-R148 VanDerWaalsContact CZ2-NH1 3.29Å; W144-R148 VanDerWaalsContact CZ3-CD 3.46Å; W144-R148 PolarHBondContact O-NE 2.82Å; W144-R148 PolarHBondContact O-NH2 2.84Å; W144-F151 HydrophobicContact CB-CD2 4.23Å; W144-F151 HydrophobicContact CB-CE2 4.37Å; W144-F151 AromaticContact CE3-CD1 3.6Å; W144-F151 HydrophobicContact CE3-CD1 3.6Å; W144-F151 HydrophobicContact CE3-CD2 4.26Å; W144-F151 AromaticContact CE3-CE1 3.63Å; W144-F151 HydrophobicContact CE3-CE1 3.63Å; W144-F151 HydrophobicContact CE3-CE2 4.28Å; W144-F151 AromaticContact CE3-CG 3.93Å; W144-F151 HydrophobicContact CE3-CG 3.93Å; W144-F151 AromaticContact CE3-CZ 3.99Å; W144-F151 HydrophobicContact CE3-CZ 3.99Å; W144-F151 AromaticContact CZ3-CD1 3.85Å; W144-F151 HydrophobicContact CZ3-CD1 3.85Å; W144-F151 AromaticContact CZ3-CE1 3.79Å; W144-F151 HydrophobicContact CZ3-CE1 3.79Å; W144-F151 HydrophobicContact CZ3-CZ 4.49Å; W144-Y152 HydrophobicContact CH2-CE1 4.46Å; W144-Y152 AromaticContact CZ3-CE1 3.86Å; W144-Y152 HydrophobicContact CZ3-CE1 3.86Å
145R94.2Very high95.6Very high130 Ų13065.1 Ų65.149%0.49131%0.311SS..Hα-helixtrans-79.4-46.3177.5-74.4-171.3-75.1-96.25.4114D132 S141 K142 M143D132-R145 PolarHBondContact O-NH1 3.4Å; D132-R145 WeakPolarHBondContact OD2-CD 3.35Å; D132-R145 WeakPolarHBondContact OD2-CG 3.42Å; D132-R145 IonicContact OD2-CZ 3.65Å; D132-R145 IonicContact OD2-NE 3.73Å; D132-R145 IonicContact OD2-NH1 2.78Å; D132-R145 PolarHBondContact OD2-NH1 2.88Å; S141-R145 PolarHBondContact O-N 2.94Å; S141-R145 VanDerWaalsContact O-N 3.17Å; K142-R145 PolarHBondContact O-N 3.44Å; M143-R145 VanDerWaalsContact C-N 3.26Å; M143-R145 PolarHBondContact O-N 2.89Å
146E96.8Very high96.3Very high138 Ų13869 Ų6965%0.64532%0.323SS*.Hα-helixtrans-99.6-27.7-165.1-64178.2-160.400113.3K142K142-E146 VanDerWaalsContact CE-CD 3.4Å; K142-E146 VanDerWaalsContact CE-OE1 3.32Å; K142-E146 WeakPolarHBondContact CE-OE1 3.25Å; K142-E146 WeakPolarHBondContact CE-OE2 3.36Å; K142-E146 HydrophobicContact CG-CG 4.34Å; K142-E146 WeakPolarHBondContact CG-OE1 3.21Å; K142-E146 IonicContact NZ-OE2 3.86Å; K142-E146 WeakPolarHBondContact O-CB 3.49Å; K142-E146 PolarHBondContact O-N 3.14Å
147D96.9Very high96.6Very high67 Ų6774.2 Ų74.236%0.35834%0.342SS..  trans-145.674.1-177.2-167.3-18.2000111.7M143 E149 Q150 F151M143-D147 HydrophobicContact CG-CB 4.37Å; M143-D147 CarbonylContact O-C 3.36Å; M143-D147 WeakPolarHBondContact O-CA 3.39Å; M143-D147 PolarHBondContact O-N 3.17Å; D147-E149 PolarHBondContact O-N 2.97Å; D147-E149 PolarHBondContact OD1-N 3.34Å; D147-Q150 HydrophobicContact CB-CB 4.13Å; D147-Q150 PolarHBondContact O-N 3.14Å; D147-Q150 VanDerWaalsContact OD1-CB 3.32Å; D147-Q150 WeakPolarHBondContact OD1-CB 3.32Å; D147-Q150 PolarHBondContact OD1-N 2.81Å; D147-Q150 WeakPolarHBondContact OD2-CB 3.47Å; D147-Q150 PolarHBondContact OD2-OE1 3.11Å; D147-F151 PolarHBondContact O-N 3.47Å
148R95.8Very high96.7Very high94 Ų9474.4 Ų74.436%0.35534%0.343SS..Hα-helixtrans-60.5-33.9-179.4-171.860.760.686-0.7112.8W144 F151 Y152W144-R148 VanDerWaalsContact CD2-CZ 3.49Å; W144-R148 VanDerWaalsContact CH2-CZ 3.47Å; W144-R148 VanDerWaalsContact CH2-NH1 3.27Å; W144-R148 VanDerWaalsContact CZ2-NH1 3.29Å; W144-R148 VanDerWaalsContact CZ3-CD 3.46Å; W144-R148 PolarHBondContact O-NE 2.82Å; W144-R148 PolarHBondContact O-NH2 2.84Å; R148-F151 WeakPolarHBondContact O-CB 3.37Å; R148-F151 PolarHBondContact O-N 3.37Å; R148-Y152 VanDerWaalsContact CD-CE1 3.46Å; R148-Y152 HydrophobicContact CG-CD1 4.42Å; R148-Y152 HydrophobicContact CG-CD2 4.29Å; R148-Y152 HydrophobicContact CG-CE1 3.97Å; R148-Y152 HydrophobicContact CG-CE2 3.79Å; R148-Y152 PolarHBondContact O-N 3.06Å
149E97.7Very high96.8Very high138 Ų13870.1 Ų70.165%0.64532%0.317SS*.Hα-helixtrans-66.3-43.9179-66.8-164.9163.500111.7D147 F151 Y152 K153D147-E149 PolarHBondContact O-N 2.97Å; D147-E149 PolarHBondContact OD1-N 3.34Å; E149-F151 VanDerWaalsContact C-N 3.33Å; E149-Y152 PolarHBondContact O-N 3.27Å; E149-K153 WeakPolarHBondContact O-CG 3.41Å; E149-K153 PolarHBondContact O-N 3.41Å
150Q97.9Very high96.9Very high90 Ų9071.7 Ų71.742%0.42132%0.315SS..Hα-helixtrans-64.7-40.2175.3-171177.723.300111.2M143 D147 Y152 K153 L154M143-Q150 HydrophobicContact CE-CG 4.04Å; M143-Q150 HydrophobicContact CG-CB 4.3Å; M143-Q150 HydrophobicContact SD-CB 4.02Å; M143-Q150 HydrophobicContact SD-CG 3.74Å; D147-Q150 HydrophobicContact CB-CB 4.13Å; D147-Q150 PolarHBondContact O-N 3.14Å; D147-Q150 VanDerWaalsContact OD1-CB 3.32Å; D147-Q150 WeakPolarHBondContact OD1-CB 3.32Å; D147-Q150 PolarHBondContact OD1-N 2.81Å; D147-Q150 WeakPolarHBondContact OD2-CB 3.47Å; D147-Q150 PolarHBondContact OD2-OE1 3.11Å; Q150-Y152 PolarHBondContact O-N 3.4Å; Q150-K153 PolarHBondContact O-N 2.97Å; Q150-L154 PolarHBondContact O-N 2.8Å
151F97.8Very high96.9Very high1 Ų177.8 Ų77.80%0.00434%0.341CS..Hα-helixtrans-56.4-50.1174.6-171.6-84.8000111.1F49 F78 A140 M143 W144 D147 R148 E149 K153 L154 A155F49-F151 HydrophobicContact CE2-CE1 4.46Å; F49-F151 HydrophobicContact CZ-CE1 4.47Å; F49-F151 HydrophobicContact CZ-CZ 4.48Å; F78-F151 HydrophobicContact CD1-CD2 4.05Å; F78-F151 AromaticContact CD1-CE2 3.86Å; F78-F151 HydrophobicContact CD1-CE2 3.86Å; F78-F151 AromaticContact CE1-CD2 3.79Å; F78-F151 HydrophobicContact CE1-CD2 3.79Å; F78-F151 AromaticContact CE1-CE2 3.94Å; F78-F151 HydrophobicContact CE1-CE2 3.94Å; A140-F151 HydrophobicContact CB-CE2 4.33Å; M143-F151 HydrophobicContact CB-CD2 4.44Å; M143-F151 HydrophobicContact CG-CB 4.02Å; M143-F151 HydrophobicContact SD-CB 4.24Å; W144-F151 HydrophobicContact CB-CD2 4.23Å; W144-F151 HydrophobicContact CB-CE2 4.37Å; W144-F151 AromaticContact CE3-CD1 3.6Å; W144-F151 HydrophobicContact CE3-CD1 3.6Å; W144-F151 HydrophobicContact CE3-CD2 4.26Å; W144-F151 AromaticContact CE3-CE1 3.63Å; W144-F151 HydrophobicContact CE3-CE1 3.63Å; W144-F151 HydrophobicContact CE3-CE2 4.28Å; W144-F151 AromaticContact CE3-CG 3.93Å; W144-F151 HydrophobicContact CE3-CG 3.93Å; W144-F151 AromaticContact CE3-CZ 3.99Å; W144-F151 HydrophobicContact CE3-CZ 3.99Å; W144-F151 AromaticContact CZ3-CD1 3.85Å; W144-F151 HydrophobicContact CZ3-CD1 3.85Å; W144-F151 AromaticContact CZ3-CE1 3.79Å; W144-F151 HydrophobicContact CZ3-CE1 3.79Å; W144-F151 HydrophobicContact CZ3-CZ 4.49Å; D147-F151 PolarHBondContact O-N 3.47Å; R148-F151 WeakPolarHBondContact O-CB 3.37Å; R148-F151 PolarHBondContact O-N 3.37Å; E149-F151 VanDerWaalsContact C-N 3.33Å; F151-K153 VanDerWaalsContact C-N 3.34Å; F151-K153 PolarHBondContact O-N 3.17Å; F151-L154 PolarHBondContact O-N 2.93Å; F151-L154 VanDerWaalsContact O-N 3.1Å; F151-A155 PolarHBondContact O-N 2.88Å
152Y97.4Very high96.9Very high95 Ų9579.2 Ų79.237%0.37335%0.351SS..Hα-helixtrans-62.2-38.6178.2-69.4-11000112.9C48 W144 R148 E149 Q150 L154 A155 Q156C48-Y152 HydrophobicContact CB-CD1 3.31Å; C48-Y152 HydrophobicContact CB-CE1 3.62Å; C48-Y152 HydrophobicContact CB-CG 4.05Å; W144-Y152 HydrophobicContact CH2-CE1 4.46Å; W144-Y152 AromaticContact CZ3-CE1 3.86Å; W144-Y152 HydrophobicContact CZ3-CE1 3.86Å; R148-Y152 VanDerWaalsContact CD-CE1 3.46Å; R148-Y152 HydrophobicContact CG-CD1 4.42Å; R148-Y152 HydrophobicContact CG-CD2 4.29Å; R148-Y152 HydrophobicContact CG-CE1 3.97Å; R148-Y152 HydrophobicContact CG-CE2 3.79Å; R148-Y152 PolarHBondContact O-N 3.06Å; E149-Y152 PolarHBondContact O-N 3.27Å; Q150-Y152 PolarHBondContact O-N 3.4Å; Y152-L154 VanDerWaalsContact C-N 3.29Å; Y152-L154 PolarHBondContact O-N 2.9Å; Y152-A155 PolarHBondContact O-N 3.3Å; Y152-Q156 WeakPolarHBondContact O-CG 3.47Å; Y152-Q156 PolarHBondContact O-N 3.47Å
153K97.9Very high96.8Very high122 Ų12278.1 Ų78.153%0.5335%0.35SS..Hα-helixtrans-62.8-35.5174.4-73168.6-174.5159.40112.3E149 Q150 F151 K157E149-K153 WeakPolarHBondContact O-CG 3.41Å; E149-K153 PolarHBondContact O-N 3.41Å; Q150-K153 PolarHBondContact O-N 2.97Å; F151-K153 VanDerWaalsContact C-N 3.34Å; F151-K153 PolarHBondContact O-N 3.17Å; K153-K157 WeakPolarHBondContact O-CG 3.48Å; K153-K157 PolarHBondContact O-N 3.17Å
154L97.4Very high96.6Very high48 Ų4880 Ų8025%0.25138%0.378SS..Hα-helixtrans-73.6-43.4175.2-69.8-178000111.8F78 M143 Q150 F151 Y152 Q156 K157 I158F78-L154 HydrophobicContact CD1-CB 4.46Å; F78-L154 HydrophobicContact CD1-CD1 4.05Å; F78-L154 HydrophobicContact CE1-CD1 3.86Å; F78-L154 HydrophobicContact CZ-CD1 4.2Å; M143-L154 HydrophobicContact CE-CD1 3.83Å; M143-L154 HydrophobicContact SD-CD1 3.57Å; M143-L154 VanDerWaalsContact SD-CD1 3.57Å; M143-L154 HydrophobicContact SD-CG 4.47Å; Q150-L154 PolarHBondContact O-N 2.8Å; F151-L154 PolarHBondContact O-N 2.93Å; F151-L154 VanDerWaalsContact O-N 3.1Å; Y152-L154 VanDerWaalsContact C-N 3.29Å; Y152-L154 PolarHBondContact O-N 2.9Å; L154-Q156 VanDerWaalsContact C-N 3.32Å; L154-Q156 PolarHBondContact O-N 3.33Å; L154-K157 HydrophobicContact CD2-CD 4.35Å; L154-K157 WeakPolarHBondContact O-CB 3.38Å; L154-K157 PolarHBondContact O-N 3.2Å; L154-I158 PolarHBondContact O-N 2.84Å
155A97.4Very high96.2Very high0 Ų086.8 Ų86.80%042%0.415CS..Hα-helixtrans-57-45.4175.900000111.4C48 F49 F151 Y152 K157 I158 V159C48-A155 HydrophobicContact CB-CB 3.88Å; C48-A155 WeakPolarHBondContact O-CB 3.45Å; F49-A155 HydrophobicContact CD1-CB 4.29Å; F49-A155 HydrophobicContact CE1-CB 3.97Å; F49-A155 HydrophobicContact CZ-CB 4.2Å; F151-A155 PolarHBondContact O-N 2.88Å; Y152-A155 PolarHBondContact O-N 3.3Å; A155-K157 VanDerWaalsContact C-N 3.3Å; A155-K157 PolarHBondContact O-N 3.44Å; A155-I158 WeakPolarHBondContact O-CA 3.37Å; A155-I158 WeakPolarHBondContact O-CB 3.22Å; A155-I158 PolarHBondContact O-N 3.46Å; A155-V159 WeakPolarHBondContact O-CG2 3.03Å; A155-V159 PolarHBondContact O-N 3.46Å
156Q97Very high96.3Very high107 Ų10784.7 Ų84.750%0.541%0.412SS..Hα-helixtrans-61.7-33.7175.2-73.6-179-0.600113.7Y152 L154 R160Y152-Q156 WeakPolarHBondContact O-CG 3.47Å; Y152-Q156 PolarHBondContact O-N 3.47Å; L154-Q156 VanDerWaalsContact C-N 3.32Å; L154-Q156 PolarHBondContact O-N 3.33Å; Q156-R160 WeakPolarHBondContact O-CG 3.35Å; Q156-R160 PolarHBondContact O-N 2.91Å
157K97.6Very high96.2Very high124 Ų12481.8 Ų81.854%0.53940%0.399SS..Hα-helixtrans-67.8-38.7173.4-71.7172.9-175.7179.40111.3K153 L154 A155 R160 K161K153-K157 WeakPolarHBondContact O-CG 3.48Å; K153-K157 PolarHBondContact O-N 3.17Å; L154-K157 HydrophobicContact CD2-CD 4.35Å; L154-K157 WeakPolarHBondContact O-CB 3.38Å; L154-K157 PolarHBondContact O-N 3.2Å; A155-K157 VanDerWaalsContact C-N 3.3Å; A155-K157 PolarHBondContact O-N 3.44Å; K157-R160 PolarHBondContact O-N 3.38Å; K157-K161 WeakPolarHBondContact O-CB 3.4Å; K157-K161 WeakPolarHBondContact O-CG 3.38Å; K157-K161 PolarHBondContact O-N 2.75Å
158I97.6Very high96.2Very high16 Ų1682.7 Ų82.78%0.08240%0.402CS..Hα-helixtrans-64.3-45.5175.3-70.8163.9000110.3F54 D76 M77 F78 L154 A155 R160 K161 S162F54-I158 HydrophobicContact CE1-CG2 3.89Å; D76-I158 VanDerWaalsContact O-CG2 3.29Å; D76-I158 WeakPolarHBondContact O-CG2 2.91Å; M77-I158 HydrophobicContact SD-CG2 4.03Å; F78-I158 HydrophobicContact CB-CD1 3.45Å; F78-I158 VanDerWaalsContact CB-CD1 3.45Å; L154-I158 PolarHBondContact O-N 2.84Å; A155-I158 WeakPolarHBondContact O-CA 3.37Å; A155-I158 WeakPolarHBondContact O-CB 3.22Å; A155-I158 PolarHBondContact O-N 3.46Å; I158-R160 PolarHBondContact O-N 3.47Å; I158-K161 PolarHBondContact O-N 3.32Å; I158-S162 WeakPolarHBondContact O-CB 3.35Å; I158-S162 PolarHBondContact O-N 2.99Å
159V97.9Very high96.2Very high16 Ų1682 Ų8210%0.09740%0.404CS..Hα-helixtrans-53.9-52.9174.31680000110.8F49 F54 A155 K161 S162 L163F49-V159 WeakPolarHBondContact O-CG2 3.33Å; F54-V159 HydrophobicContact CZ-CG2 4.23Å; A155-V159 WeakPolarHBondContact O-CG2 3.03Å; A155-V159 PolarHBondContact O-N 3.46Å; V159-K161 PolarHBondContact O-N 2.78Å; V159-S162 WeakPolarHBondContact O-CB 2.88Å; V159-S162 PolarHBondContact O-N 2.7Å; V159-S162 VanDerWaalsContact O-N 3.15Å; V159-S162 PolarHBondContact O-OG 3.4Å; V159-L163 HydrophobicContact CG1-CD1 4.5Å; V159-L163 PolarHBondContact O-N 3.42Å
160R97.3Very high96.1Very high148 Ų14878.5 Ų78.556%0.55839%0.389SS*.Hα-helixtrans-59-47.3179-71.8177-177.9169.62.5112.7Q156 K157 I158 S162 L163 G164 L165Q156-R160 WeakPolarHBondContact O-CG 3.35Å; Q156-R160 PolarHBondContact O-N 2.91Å; K157-R160 PolarHBondContact O-N 3.38Å; I158-R160 PolarHBondContact O-N 3.47Å; R160-S162 VanDerWaalsContact C-N 3.28Å; R160-S162 PolarHBondContact O-N 2.92Å; R160-L163 CarbonylContact O-C 3.54Å; R160-L163 PolarHBondContact O-N 3.48Å; R160-L163 VanDerWaalsContact O-N 3.07Å; R160-G164 PolarHBondContact O-N 2.92Å; R160-L165 CarbonylContact C-O 3.53Å; R160-L165 HydrophobicContact CB-CB 4.34Å; R160-L165 PolarHBondContact O-N 2.85Å
161K96.6Very high96Very high128 Ų12877.7 Ų77.756%0.55739%0.387SS*.Hα-helixtrans-57.1-41.6175.8-79.7177.9163.8-166.30112.3D76 K157 I158 V159 L163 G164D76-K161 IonicContact OD2-NZ 2.68Å; D76-K161 PolarHBondContact OD2-NZ 3.38Å; K157-K161 WeakPolarHBondContact O-CB 3.4Å; K157-K161 WeakPolarHBondContact O-CG 3.38Å; K157-K161 PolarHBondContact O-N 2.75Å; I158-K161 PolarHBondContact O-N 3.32Å; V159-K161 PolarHBondContact O-N 2.78Å; K161-L163 PolarHBondContact O-N 2.89Å; K161-G164 PolarHBondContact O-N 2.85Å
162S95.4Very high95.9Very high34 Ų3483.2 Ų83.224%0.23841%0.414CS..Hα-helixtrans-62.4-26.6179.980.90000112.8G52 V53 I158 V159 R160G52-S162 WeakPolarHBondContact CA-OG 3.32Å; V53-S162 PolarHBondContact N-OG 3.04Å; V53-S162 VanDerWaalsContact N-OG 3.13Å; V53-S162 WeakPolarHBondContact O-CB 3.46Å; I158-S162 WeakPolarHBondContact O-CB 3.35Å; I158-S162 PolarHBondContact O-N 2.99Å; V159-S162 WeakPolarHBondContact O-CB 2.88Å; V159-S162 PolarHBondContact O-N 2.7Å; V159-S162 VanDerWaalsContact O-N 3.15Å; V159-S162 PolarHBondContact O-OG 3.4Å; R160-S162 VanDerWaalsContact C-N 3.28Å; R160-S162 PolarHBondContact O-N 2.92Å
163L94Very high95.8Very high82 Ų8282.3 Ų82.343%0.42942%0.418SS..THydrogen-bonded Turntrans-93.3-1176.7-59.2176.7000113.4V53 V159 R160 K161 L165V53-L163 HydrophobicContact CG2-CD2 4.05Å; V159-L163 HydrophobicContact CG1-CD1 4.5Å; V159-L163 PolarHBondContact O-N 3.42Å; R160-L163 CarbonylContact O-C 3.54Å; R160-L163 PolarHBondContact O-N 3.48Å; R160-L163 VanDerWaalsContact O-N 3.07Å; K161-L163 PolarHBondContact O-N 2.89Å; L163-L165 VanDerWaalsContact C-N 3.33Å; L163-L165 HydrophobicContact CB-CD1 4Å; L163-L165 HydrophobicContact CB-CG 3.96Å; L163-L165 HydrophobicContact CD1-CD1 4.11Å
164G92.6Very high95.6Very high72 Ų7279 Ų7974%0.74241%0.408SS*.THydrogen-bonded Turntrans71.424.1-175.100000114.5R160 K161R160-G164 PolarHBondContact O-N 2.92Å; K161-G164 PolarHBondContact O-N 2.85Å
165L86.3Confident95.4Very high173 Ų17381.8 Ų81.891%0.90642%0.423SS*.  trans-100.10-179-59.7177.2000113.3R160 L163R160-L165 CarbonylContact C-O 3.53Å; R160-L165 HydrophobicContact CB-CB 4.34Å; R160-L165 PolarHBondContact O-N 2.85Å; L163-L165 VanDerWaalsContact C-N 3.33Å; L163-L165 HydrophobicContact CB-CD1 4Å; L163-L165 HydrophobicContact CB-CG 3.96Å; L163-L165 HydrophobicContact CD1-CD1 4.11Å

Retrieved 165 of 165 residues in 170.7 ms (Link to these results)

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