A0A3Q0KV92_SCHMA Loading...

Putative rab15, 13, 10, 1, 35, 5, and

AlphaFold DB , UniProt , Accession A0A3Q0KV92, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 162 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
1M33.9Very low63.3Low242 Ų242117.1 Ų117.1100%1.19264%0.637SS**  0103.20-70.8166.47500106.6
2K37.7Very low65.8Low201 Ų201112.2 Ų112.287%0.87461%0.605SS**  cis-111.3126.86.6-67.3168.8174.31770109.2A4K2-A4 VanDerWaalsContact C-N 3.31Å; K2-A4 PolarHBondContact O-N 2.93Å
3N36.5Very low67.8Low168 Ų168103.8 Ų103.890%0.89856%0.56SS**  trans-84.486.2156.3-84.83.1000105.6
4A52.4Low69.6Low55 Ų5599.1 Ų99.146%0.45554%0.542SS..  trans-68.9140.1156.700000106.2K2 V6K2-A4 VanDerWaalsContact C-N 3.31Å; K2-A4 PolarHBondContact O-N 2.93Å; A4-V6 VanDerWaalsContact C-N 3.34Å; A4-V6 PolarHBondContact O-N 3.5Å
5H57Low71.3Confident190 Ų19099.1 Ų99.188%0.8854%0.541SS*.  trans-55.294.2-177.5-80.1-91.3000110.5Q7H5-Q7 PolarHBondContact O-N 2.99Å
6V61.6Low72.8Confident76 Ų7694 Ų9446%0.46151%0.512SS..PPolyproline II helixtrans-64.1121.5164.2-178.80000105.3A4 A8 D98 L103A4-V6 VanDerWaalsContact C-N 3.34Å; A4-V6 PolarHBondContact O-N 3.5Å; V6-A8 PolarHBondContact O-N 2.93Å; V6-D98 HydrophobicContact CG2-CB 4.3Å; V6-L103 HydrophobicContact CG1-CD1 3.6Å
7Q70.5Confident73.9Confident38 Ų3890.7 Ų90.718%0.17849%0.494CS..PPolyproline II helixtrans-53.5134.6174.7179.1-172.4-12.800108.6H5 F9 D10 Y77 H78H5-Q7 PolarHBondContact O-N 2.99Å; Q7-F9 PolarHBondContact O-N 3.3Å; Q7-D10 PolarHBondContact NE2-OD2 3.06Å; Q7-Y77 PolarHBondContact OE1-O 2.64Å; Q7-H78 HydrophobicContact CG-CB 4.28Å; Q7-H78 PolarHBondContact NE2-CD2 3.01Å
8A78.3Confident75Confident79 Ų7991.4 Ų91.465%0.65349%0.493SS*.PPolyproline II helixtrans-65.4133.9173.700000109.1V6 D10V6-A8 PolarHBondContact O-N 2.93Å; A8-D10 PolarHBondContact O-N 2.9Å
9F84.8Confident76Confident110 Ų11088.9 Ų88.948%0.48248%0.479SS..PPolyproline II helixtrans-52.1123.4171.9179.1-93.3000110.3Q7 D13 A14 I17Q7-F9 PolarHBondContact O-N 3.3Å; F9-D13 WeakPolarHBondContact CA-OD2 2.98Å; F9-D13 HydrophobicContact CD2-CB 3.41Å; F9-D13 VanDerWaalsContact CD2-CB 3.41Å; F9-D13 HydrophobicContact CE2-CB 3.38Å; F9-D13 HydrophobicContact CG-CB 4.16Å; F9-D13 HydrophobicContact CZ-CB 4.11Å; F9-A14 HydrophobicContact CE1-CB 3.85Å; F9-A14 HydrophobicContact CZ-CB 3.71Å; F9-I17 HydrophobicContact CE2-CD1 3.73Å; F9-I17 HydrophobicContact CZ-CD1 4.07Å
10D89.5Confident76.9Confident45 Ų4584.8 Ų84.824%0.24146%0.457CS..  trans-121.9-172.8-174.86936.8000113.4Q7 A8 F12 D13 A14 H78Q7-D10 PolarHBondContact NE2-OD2 3.06Å; A8-D10 PolarHBondContact O-N 2.9Å; D10-F12 VanDerWaalsContact C-N 3.27Å; D10-F12 PolarHBondContact O-N 3.38Å; D10-F12 WeakPolarHBondContact OD1-CA 3.45Å; D10-F12 VanDerWaalsContact OD1-CB 3.26Å; D10-F12 WeakPolarHBondContact OD1-CB 3.43Å; D10-F12 PolarHBondContact OD1-N 3.42Å; D10-D13 PolarHBondContact N-OD2 2.67Å; D10-D13 PolarHBondContact O-N 3.08Å; D10-D13 PolarHBondContact OD1-N 3.24Å; D10-A14 PolarHBondContact O-N 2.76Å; D10-A14 VanDerWaalsContact O-N 3.12Å; D10-H78 IonicContact OD2-CD2 2.75Å
11A93.9Very high77.5Confident84 Ų8486.1 Ų86.169%0.69446%0.458SS*.Hα-helixtrans-65.3-29.7-178.400000113L15A11-L15 WeakPolarHBondContact O-CB 3.18Å; A11-L15 PolarHBondContact O-N 3.21Å
12F93.5Very high80.3Confident58 Ų5881.7 Ų81.725%0.25443%0.429SS..Hα-helixtrans-69.5-44.1176173.9-104.6000110.3D10 A14 L15 M16 V76 Y77 F121D10-F12 VanDerWaalsContact C-N 3.27Å; D10-F12 PolarHBondContact O-N 3.38Å; D10-F12 WeakPolarHBondContact OD1-CA 3.45Å; D10-F12 VanDerWaalsContact OD1-CB 3.26Å; D10-F12 WeakPolarHBondContact OD1-CB 3.43Å; D10-F12 PolarHBondContact OD1-N 3.42Å; F12-A14 VanDerWaalsContact C-N 3.34Å; F12-A14 PolarHBondContact O-N 2.88Å; F12-L15 PolarHBondContact O-N 3.33Å; F12-M16 HydrophobicContact CD1-CG 4.32Å; F12-M16 HydrophobicContact CD2-CG 4.28Å; F12-M16 HydrophobicContact CE1-CG 3.9Å; F12-M16 HydrophobicContact CE2-CG 3.84Å; F12-M16 HydrophobicContact CE2-SD 3.96Å; F12-M16 HydrophobicContact CZ-CG 3.63Å; F12-M16 HydrophobicContact CZ-SD 3.94Å; F12-M16 WeakPolarHBondContact O-CB 3.47Å; F12-M16 WeakPolarHBondContact O-CG 3.33Å; F12-M16 PolarHBondContact O-N 3.39Å; F12-V76 HydrophobicContact CE1-CG1 4.12Å; F12-V76 HydrophobicContact CZ-CG1 4.14Å; F12-Y77 HydrophobicContact CE1-CD1 4.46Å; F12-Y77 AromaticContact CE1-CE1 3.75Å; F12-Y77 HydrophobicContact CE1-CE1 3.75Å; F12-F121 HydrophobicContact CE2-CE1 4.32Å; F12-F121 HydrophobicContact CE2-CZ 4.4Å; F12-F121 HydrophobicContact CZ-CD1 4.44Å; F12-F121 AromaticContact CZ-CE1 3.75Å; F12-F121 HydrophobicContact CZ-CE1 3.75Å; F12-F121 HydrophobicContact CZ-CZ 4.28Å
13D91.6Very high82.7Confident3 Ų372.2 Ų72.22%0.01639%0.388CS..Hα-helixtrans-59.8-44.5175.9-61-45.7000112F9 D10 M16 I17 Q100F9-D13 WeakPolarHBondContact CA-OD2 2.98Å; F9-D13 HydrophobicContact CD2-CB 3.41Å; F9-D13 VanDerWaalsContact CD2-CB 3.41Å; F9-D13 HydrophobicContact CE2-CB 3.38Å; F9-D13 HydrophobicContact CG-CB 4.16Å; F9-D13 HydrophobicContact CZ-CB 4.11Å; D10-D13 PolarHBondContact N-OD2 2.67Å; D10-D13 PolarHBondContact O-N 3.08Å; D10-D13 PolarHBondContact OD1-N 3.24Å; D13-M16 PolarHBondContact O-N 3.01Å; D13-I17 WeakPolarHBondContact O-CG1 3.31Å; D13-I17 PolarHBondContact O-N 3.36Å; D13-I17 VanDerWaalsContact O-N 3.08Å; D13-Q100 VanDerWaalsContact CB-OE1 3.31Å; D13-Q100 PolarHBondContact OD1-OE1 2.78Å
14A93.2Very high85Confident38 Ų3867 Ų6731%0.31436%0.361SS..Hα-helixtrans-61.5-44.5175.900000112.3F9 D10 F12 I17 E18F9-A14 HydrophobicContact CE1-CB 3.85Å; F9-A14 HydrophobicContact CZ-CB 3.71Å; D10-A14 PolarHBondContact O-N 2.76Å; D10-A14 VanDerWaalsContact O-N 3.12Å; F12-A14 VanDerWaalsContact C-N 3.34Å; F12-A14 PolarHBondContact O-N 2.88Å; A14-I17 PolarHBondContact O-N 3.4Å; A14-E18 PolarHBondContact O-N 2.89Å
15L95.6Very high86.6Confident99 Ų9968.2 Ų68.252%0.51837%0.366SS..Hα-helixtrans-62.1-43.7176.8177.862.8000111.4A11 F12 I17 E18 I19A11-L15 WeakPolarHBondContact O-CB 3.18Å; A11-L15 PolarHBondContact O-N 3.21Å; F12-L15 PolarHBondContact O-N 3.33Å; L15-I17 VanDerWaalsContact C-N 3.32Å; L15-I17 PolarHBondContact O-N 2.83Å; L15-E18 PolarHBondContact O-N 2.71Å; L15-E18 VanDerWaalsContact O-N 3.16Å; L15-I19 HydrophobicContact CD1-CD1 4.13Å; L15-I19 HydrophobicContact CD1-CG1 4.24Å; L15-I19 HydrophobicContact CD2-CD1 4.44Å; L15-I19 HydrophobicContact CG-CD1 3.86Å; L15-I19 HydrophobicContact CG-CG1 4.38Å; L15-I19 WeakPolarHBondContact O-CG1 3.34Å; L15-I19 PolarHBondContact O-N 3.16Å
16M94.1Very high87.5Confident18 Ų1862.1 Ų62.19%0.08934%0.342CS..Hα-helixtrans-61.7-40.1178.8-75.7-53.5-52.800112.1F12 D13 E18 I19 I20 F121F12-M16 HydrophobicContact CD1-CG 4.32Å; F12-M16 HydrophobicContact CD2-CG 4.28Å; F12-M16 HydrophobicContact CE1-CG 3.9Å; F12-M16 HydrophobicContact CE2-CG 3.84Å; F12-M16 HydrophobicContact CE2-SD 3.96Å; F12-M16 HydrophobicContact CZ-CG 3.63Å; F12-M16 HydrophobicContact CZ-SD 3.94Å; F12-M16 WeakPolarHBondContact O-CB 3.47Å; F12-M16 WeakPolarHBondContact O-CG 3.33Å; F12-M16 PolarHBondContact O-N 3.39Å; D13-M16 PolarHBondContact O-N 3.01Å; M16-E18 VanDerWaalsContact C-N 3.34Å; M16-E18 PolarHBondContact O-N 3.2Å; M16-I19 PolarHBondContact O-N 3.05Å; M16-I19 HydrophobicContact SD-CD1 4.34Å; M16-I20 VanDerWaalsContact O-CG1 3.28Å; M16-I20 WeakPolarHBondContact O-CG1 3.37Å; M16-I20 PolarHBondContact O-N 3.22Å; M16-F121 HydrophobicContact CE-CB 3.44Å; M16-F121 VanDerWaalsContact CE-CB 3.44Å; M16-F121 HydrophobicContact CE-CD1 3.79Å; M16-F121 HydrophobicContact CE-CD2 3.82Å; M16-F121 HydrophobicContact CE-CG 3.39Å; M16-F121 HydrophobicContact SD-CD1 4.08Å; M16-F121 HydrophobicContact SD-CD2 4.14Å; M16-F121 HydrophobicContact SD-CE1 4.25Å; M16-F121 HydrophobicContact SD-CE2 4.27Å; M16-F121 HydrophobicContact SD-CG 4.04Å; M16-F121 HydrophobicContact SD-CZ 4.33Å
17I92.4Very high87.6Confident38 Ų3864.6 Ų64.620%0.19536%0.36CS..Hα-helixtrans-60.6-44174.1-70.8171000111.1F9 D13 A14 L15 I20 K21F9-I17 HydrophobicContact CE2-CD1 3.73Å; F9-I17 HydrophobicContact CZ-CD1 4.07Å; D13-I17 WeakPolarHBondContact O-CG1 3.31Å; D13-I17 PolarHBondContact O-N 3.36Å; D13-I17 VanDerWaalsContact O-N 3.08Å; A14-I17 PolarHBondContact O-N 3.4Å; L15-I17 VanDerWaalsContact C-N 3.32Å; L15-I17 PolarHBondContact O-N 2.83Å; I17-I20 PolarHBondContact O-N 3.42Å; I17-K21 HydrophobicContact CG2-CD 4.32Å; I17-K21 WeakPolarHBondContact O-CG 3.36Å; I17-K21 PolarHBondContact O-N 3.34Å
18E94.2Very high87.4Confident104 Ų10465.3 Ų65.349%0.48637%0.369SS..Hα-helixtrans-70.2-35.9179.3-66.9-53.2132.700112.8A14 L15 M16 I20 K21 Y22A14-E18 PolarHBondContact O-N 2.89Å; L15-E18 PolarHBondContact O-N 2.71Å; L15-E18 VanDerWaalsContact O-N 3.16Å; M16-E18 VanDerWaalsContact C-N 3.34Å; M16-E18 PolarHBondContact O-N 3.2Å; E18-I20 VanDerWaalsContact C-N 3.33Å; E18-I20 PolarHBondContact O-N 3.13Å; E18-K21 PolarHBondContact O-N 2.69Å; E18-K21 IonicContact OE1-NZ 3.9Å; E18-K21 PolarHBondContact OE1-NZ 3.48Å; E18-Y22 WeakPolarHBondContact O-CB 3.37Å; E18-Y22 PolarHBondContact O-N 3.46Å
19I93.6Very high86.6Confident44 Ų4469.2 Ų69.223%0.22638%0.378CS..Hα-helixtrans-62.4-42173.3-69.3171.2000110.6L15 M16 Y22 S23 L36 L39L15-I19 HydrophobicContact CD1-CD1 4.13Å; L15-I19 HydrophobicContact CD1-CG1 4.24Å; L15-I19 HydrophobicContact CD2-CD1 4.44Å; L15-I19 HydrophobicContact CG-CD1 3.86Å; L15-I19 HydrophobicContact CG-CG1 4.38Å; L15-I19 WeakPolarHBondContact O-CG1 3.34Å; L15-I19 PolarHBondContact O-N 3.16Å; M16-I19 PolarHBondContact O-N 3.05Å; M16-I19 HydrophobicContact SD-CD1 4.34Å; I19-Y22 PolarHBondContact O-N 3.31Å; I19-S23 PolarHBondContact O-N 3.15Å; I19-L36 HydrophobicContact CG2-CD2 3.71Å; I19-L39 HydrophobicContact CG2-CD1 3.81Å
20I92.8Very high85.7Confident6 Ų669 Ų693%0.03138%0.382CS..Hα-helixtrans-64.9-45.9177.2-68167.1000110.5M16 I17 E18 Y22 S23 N24 L36 K117 H118M16-I20 VanDerWaalsContact O-CG1 3.28Å; M16-I20 WeakPolarHBondContact O-CG1 3.37Å; M16-I20 PolarHBondContact O-N 3.22Å; I17-I20 PolarHBondContact O-N 3.42Å; E18-I20 VanDerWaalsContact C-N 3.33Å; E18-I20 PolarHBondContact O-N 3.13Å; I20-Y22 VanDerWaalsContact C-N 3.3Å; I20-Y22 PolarHBondContact O-N 2.84Å; I20-S23 PolarHBondContact O-N 3.44Å; I20-S23 PolarHBondContact O-OG 2.92Å; I20-N24 PolarHBondContact O-N 3.42Å; I20-N24 VanDerWaalsContact O-N 3.08Å; I20-L36 HydrophobicContact CG1-CD1 4.05Å; I20-L36 HydrophobicContact CG1-CD2 3.96Å; I20-K117 HydrophobicContact CG2-CB 4.09Å; I20-K117 HydrophobicContact CG2-CD 4.49Å; I20-H118 HydrophobicContact CD1-CB 4.39Å; I20-H118 VanDerWaalsContact CD1-CD2 3.41Å; I20-H118 WeakPolarHBondContact CD1-CD2 3.38Å; I20-H118 WeakPolarHBondContact CD1-NE2 3.34Å
21K91Very high85.3Confident113 Ų11368.4 Ų68.449%0.49138%0.382SS..Hα-helixtrans-59.1-41.6174.5-72.2174.1-175.2170.30112.2I17 E18 N24 S25I17-K21 HydrophobicContact CG2-CD 4.32Å; I17-K21 WeakPolarHBondContact O-CG 3.36Å; I17-K21 PolarHBondContact O-N 3.34Å; E18-K21 PolarHBondContact O-N 2.69Å; E18-K21 IonicContact OE1-NZ 3.9Å; E18-K21 PolarHBondContact OE1-NZ 3.48Å; K21-N24 PolarHBondContact O-N 3.3Å; K21-S25 PolarHBondContact O-N 2.93Å
22Y91.3Very high85Confident148 Ų14865.4 Ų65.458%0.5835%0.354SS*.Hα-helixtrans-62.8-45176.4176.8-101000111.1E18 I19 I20 N24 S25 V26E18-Y22 WeakPolarHBondContact O-CB 3.37Å; E18-Y22 PolarHBondContact O-N 3.46Å; I19-Y22 PolarHBondContact O-N 3.31Å; I20-Y22 VanDerWaalsContact C-N 3.3Å; I20-Y22 PolarHBondContact O-N 2.84Å; Y22-N24 VanDerWaalsContact C-N 3.32Å; Y22-N24 PolarHBondContact O-N 2.94Å; Y22-S25 WeakPolarHBondContact O-CB 3.48Å; Y22-S25 PolarHBondContact O-N 3.13Å; Y22-S25 PolarHBondContact O-OG 3.02Å; Y22-V26 HydrophobicContact CE1-CG2 4.34Å
23S89.2Confident84.9Confident2 Ų265.3 Ų65.31%0.01436%0.356CS..Hα-helixtrans-57.3-46.2177.468.30000111.6I19 I20 S25 V26 D32I19-S23 PolarHBondContact O-N 3.15Å; I20-S23 PolarHBondContact O-N 3.44Å; I20-S23 PolarHBondContact O-OG 2.92Å; S23-S25 PolarHBondContact O-N 3.38Å; S23-V26 PolarHBondContact O-N 3.48Å; S23-D32 VanDerWaalsContact O-OD1 3.07Å
24N85.2Confident85Confident60 Ų6071.4 Ų71.432%0.32138%0.378SS..Hα-helixtrans-60.3-21.7176.5-67.9-21.6000114.3I20 K21 Y22 V26 D32 K117I20-N24 PolarHBondContact O-N 3.42Å; I20-N24 VanDerWaalsContact O-N 3.08Å; K21-N24 PolarHBondContact O-N 3.3Å; Y22-N24 VanDerWaalsContact C-N 3.32Å; Y22-N24 PolarHBondContact O-N 2.94Å; N24-V26 VanDerWaalsContact C-N 3.33Å; N24-D32 WeakPolarHBondContact CA-OD2 3.46Å; N24-K117 VanDerWaalsContact OD1-CD 3.31Å; N24-K117 WeakPolarHBondContact OD1-CD 3.49Å; N24-K117 WeakPolarHBondContact OD1-CE 3.4Å; N24-K117 PolarHBondContact OD1-NZ 2.77Å
25S84.1Confident85Confident80 Ų8073.4 Ų73.456%0.55938%0.38SS*.Hα-helixtrans-82.1-12.9178.776.80000113.4K21 Y22 S23 P27K21-S25 PolarHBondContact O-N 2.93Å; Y22-S25 WeakPolarHBondContact O-CB 3.48Å; Y22-S25 PolarHBondContact O-N 3.13Å; Y22-S25 PolarHBondContact O-OG 3.02Å; S23-S25 PolarHBondContact O-N 3.38Å; S25-P27 WeakPolarHBondContact O-CD 3.15Å
26V78Confident85Confident61 Ų6168.7 Ų68.737%0.3736%0.356SS..SBendtrans-92.6112.8178.9-176.60000108.8Y22 S23 N24 S28Y22-V26 HydrophobicContact CE1-CG2 4.34Å; S23-V26 PolarHBondContact O-N 3.48Å; N24-V26 VanDerWaalsContact C-N 3.33Å; V26-S28 PolarHBondContact O-N 2.72Å; V26-S28 PolarHBondContact O-OG 3.4Å
27P63.4Low85.1Confident129 Ų12970.2 Ų70.284%0.83836%0.362SS*.  trans-66.1102.4-175.7-16.829.6000111.3S25S25-P27 WeakPolarHBondContact O-CD 3.15Å
28S65.6Low85.3Confident53 Ų5370.8 Ų70.837%0.37137%0.37SS..  trans-160.7135.9174.1560000113.3V26 S31V26-S28 PolarHBondContact O-N 2.72Å; V26-S28 PolarHBondContact O-OG 3.4Å; S28-S31 PolarHBondContact O-N 3.35Å; S28-S31 WeakPolarHBondContact OG-CA 3.36Å; S28-S31 WeakPolarHBondContact OG-CB 3.37Å
29D61.8Low85.4Confident160 Ų16068.1 Ų68.186%0.85636%0.359SS*.THydrogen-bonded Turntrans-79.1122.2-174.5-140.910.7000110.9S31 R34D29-S31 PolarHBondContact O-N 3.4Å; D29-R34 PolarHBondContact O-NH2 2.88Å
30D66.6Low85.6Confident106 Ų10666 Ų6657%0.56735%0.348SS*.THydrogen-bonded Turntrans46.720.1-161.9-78.9-24000114.5D32 R34D30-D32 VanDerWaalsContact C-N 3.28Å; D30-D32 PolarHBondContact O-N 3.08Å; D30-R34 VanDerWaalsContact C-NH2 3.32Å; D30-R34 VanDerWaalsContact O-CZ 3.3Å; D30-R34 PolarHBondContact O-NE 3.02Å; D30-R34 PolarHBondContact O-NH2 3.23Å
31S80.2Confident85.9Confident33 Ų3367 Ų6723%0.23135%0.354CS..Hα-helixtrans-41.2-57.4174.9-80.70000112.9S28 D29 R34 F35S28-S31 PolarHBondContact O-N 3.35Å; S28-S31 WeakPolarHBondContact OG-CA 3.36Å; S28-S31 WeakPolarHBondContact OG-CB 3.37Å; D29-S31 PolarHBondContact O-N 3.4Å; S31-R34 PolarHBondContact OG-NH2 3.12Å; S31-F35 WeakPolarHBondContact O-CB 3.49Å; S31-F35 PolarHBondContact O-N 3.43Å; S31-F35 VanDerWaalsContact O-N 3.13Å
32D86.9Confident86.2Confident21 Ų2165.5 Ų65.511%0.11235%0.352CS..Hα-helixtrans-86.4-39.2-152.5-54.9-18.2000110.1S23 N24 D30 F35 L36S23-D32 VanDerWaalsContact O-OD1 3.07Å; N24-D32 WeakPolarHBondContact CA-OD2 3.46Å; D30-D32 VanDerWaalsContact C-N 3.28Å; D30-D32 PolarHBondContact O-N 3.08Å; D32-F35 WeakPolarHBondContact O-CB 3.15Å; D32-F35 PolarHBondContact O-N 3.43Å; D32-L36 WeakPolarHBondContact O-CB 3.41Å; D32-L36 WeakPolarHBondContact O-CD1 3.43Å; D32-L36 WeakPolarHBondContact O-CG 3.36Å; D32-L36 PolarHBondContact O-N 2.95Å
33I92.4Very high86.5Confident55 Ų5561.2 Ų61.228%0.28234%0.34SS..Hα-helixtrans-62.9-48.9177.9-65175.9000110F35 L36 E37 P116 K117 A120I33-F35 VanDerWaalsContact C-N 3.31Å; I33-F35 PolarHBondContact O-N 3.18Å; I33-L36 PolarHBondContact O-N 3.29Å; I33-E37 WeakPolarHBondContact O-CB 3.48Å; I33-E37 PolarHBondContact O-N 3.07Å; I33-P116 HydrophobicContact CD1-CB 3.99Å; I33-K117 HydrophobicContact CG1-CG 4.12Å; I33-A120 HydrophobicContact CG2-CB 4Å
34R92.6Very high86.9Confident132 Ų13261.1 Ų61.150%0.49834%0.34SS..Hα-helixtrans-63.9-37.9178-68.8-174.6-65.5-107.7-6.7111.8D29 D30 S31 S38D29-R34 PolarHBondContact O-NH2 2.88Å; D30-R34 VanDerWaalsContact C-NH2 3.32Å; D30-R34 VanDerWaalsContact O-CZ 3.3Å; D30-R34 PolarHBondContact O-NE 3.02Å; D30-R34 PolarHBondContact O-NH2 3.23Å; S31-R34 PolarHBondContact OG-NH2 3.12Å; R34-S38 WeakPolarHBondContact O-CB 3.48Å; R34-S38 PolarHBondContact O-N 3.38Å; R34-S38 PolarHBondContact O-OG 2.93Å
35F93.5Very high87.5Confident80 Ų8062.5 Ų62.535%0.35135%0.345SS..Hα-helixtrans-61.4-51.4174.4170.8-105.8000111.4S31 D32 I33 E37 S38 L39S31-F35 WeakPolarHBondContact O-CB 3.49Å; S31-F35 PolarHBondContact O-N 3.43Å; S31-F35 VanDerWaalsContact O-N 3.13Å; D32-F35 WeakPolarHBondContact O-CB 3.15Å; D32-F35 PolarHBondContact O-N 3.43Å; I33-F35 VanDerWaalsContact C-N 3.31Å; I33-F35 PolarHBondContact O-N 3.18Å; F35-E37 PolarHBondContact O-N 2.97Å; F35-S38 PolarHBondContact O-N 3.18Å; F35-S38 VanDerWaalsContact O-N 3.15Å; F35-S38 PolarHBondContact O-OG 3.5Å; F35-L39 HydrophobicContact CD1-CD1 4.08Å; F35-L39 HydrophobicContact CE1-CD1 3.45Å; F35-L39 VanDerWaalsContact CE1-CD1 3.45Å; F35-L39 HydrophobicContact CE1-CG 4.19Å; F35-L39 HydrophobicContact CE2-CD1 4.23Å; F35-L39 HydrophobicContact CE2-CD2 4.26Å; F35-L39 HydrophobicContact CE2-CG 4.15Å; F35-L39 HydrophobicContact CZ-CD1 3.54Å; F35-L39 HydrophobicContact CZ-CD2 4.18Å; F35-L39 HydrophobicContact CZ-CG 3.96Å; F35-L39 PolarHBondContact O-N 3Å
36L95.6Very high88Confident0 Ų066 Ų660%035%0.35CS..Hα-helixtrans-61.5-41.2179-68.8164000112.1I19 I20 D32 I33 L39 G40 K117 A120 F121I19-L36 HydrophobicContact CG2-CD2 3.71Å; I20-L36 HydrophobicContact CG1-CD1 4.05Å; I20-L36 HydrophobicContact CG1-CD2 3.96Å; D32-L36 WeakPolarHBondContact O-CB 3.41Å; D32-L36 WeakPolarHBondContact O-CD1 3.43Å; D32-L36 WeakPolarHBondContact O-CG 3.36Å; D32-L36 PolarHBondContact O-N 2.95Å; I33-L36 PolarHBondContact O-N 3.29Å; L36-L39 WeakPolarHBondContact O-CB 3.38Å; L36-L39 PolarHBondContact O-N 3.44Å; L36-G40 PolarHBondContact O-N 3.36Å; L36-K117 HydrophobicContact CD1-CB 4.04Å; L36-K117 WeakPolarHBondContact CD1-O 3.33Å; L36-A120 HydrophobicContact CB-CB 3.66Å; L36-A120 HydrophobicContact CD1-CB 4.43Å; L36-F121 WeakPolarHBondContact O-CA 3.28Å
37E96.5Very high89Confident49 Ų4966.4 Ų66.423%0.22935%0.349CS..Hα-helixtrans-60.9-47172.7-170.7-167.2155.500110.9I33 F35 L39 G40 V41 A120 G124 K127I33-E37 WeakPolarHBondContact O-CB 3.48Å; I33-E37 PolarHBondContact O-N 3.07Å; F35-E37 PolarHBondContact O-N 2.97Å; E37-L39 VanDerWaalsContact C-N 3.3Å; E37-L39 PolarHBondContact O-N 2.94Å; E37-G40 WeakPolarHBondContact O-CA 3.09Å; E37-G40 PolarHBondContact O-N 3.36Å; E37-G40 VanDerWaalsContact O-N 3.07Å; E37-V41 WeakPolarHBondContact O-CG2 3.19Å; E37-V41 PolarHBondContact O-N 2.89Å; E37-A120 WeakPolarHBondContact CA-O 3.19Å; E37-G124 WeakPolarHBondContact O-CA 3.31Å; E37-K127 WeakPolarHBondContact OE1-CD 3.3Å; E37-K127 IonicContact OE1-NZ 2.77Å; E37-K127 PolarHBondContact OE1-NZ 3.14Å
38S96.2Very high90.5Very high51 Ų5160.3 Ų60.336%0.35731%0.31SS..Hα-helixtrans-62.9-35.7179.277.30000112.8R34 F35 V41 N42R34-S38 WeakPolarHBondContact O-CB 3.48Å; R34-S38 PolarHBondContact O-N 3.38Å; R34-S38 PolarHBondContact O-OG 2.93Å; F35-S38 PolarHBondContact O-N 3.18Å; F35-S38 VanDerWaalsContact O-N 3.15Å; F35-S38 PolarHBondContact O-OG 3.5Å; S38-V41 PolarHBondContact O-N 3.19Å; S38-N42 WeakPolarHBondContact O-CB 3.46Å; S38-N42 PolarHBondContact O-N 2.68Å; S38-N42 PolarHBondContact O-ND2 3.26Å; S38-N42 VanDerWaalsContact O-ND2 3.13Å
39L96.8Very high91.9Very high47 Ų4764.8 Ų64.825%0.24633%0.325CS..Hα-helixtrans-61.1-46.8171.6-74.1179.5000110.7I19 F35 L36 E37 V41 N42 V43 F121I19-L39 HydrophobicContact CG2-CD1 3.81Å; F35-L39 HydrophobicContact CD1-CD1 4.08Å; F35-L39 HydrophobicContact CE1-CD1 3.45Å; F35-L39 VanDerWaalsContact CE1-CD1 3.45Å; F35-L39 HydrophobicContact CE1-CG 4.19Å; F35-L39 HydrophobicContact CE2-CD1 4.23Å; F35-L39 HydrophobicContact CE2-CD2 4.26Å; F35-L39 HydrophobicContact CE2-CG 4.15Å; F35-L39 HydrophobicContact CZ-CD1 3.54Å; F35-L39 HydrophobicContact CZ-CD2 4.18Å; F35-L39 HydrophobicContact CZ-CG 3.96Å; F35-L39 PolarHBondContact O-N 3Å; L36-L39 WeakPolarHBondContact O-CB 3.38Å; L36-L39 PolarHBondContact O-N 3.44Å; E37-L39 VanDerWaalsContact C-N 3.3Å; E37-L39 PolarHBondContact O-N 2.94Å; L39-V41 PolarHBondContact O-N 2.8Å; L39-N42 PolarHBondContact O-N 3.08Å; L39-V43 WeakPolarHBondContact O-CB 3.49Å; L39-V43 VanDerWaalsContact O-CG2 3.27Å; L39-V43 WeakPolarHBondContact O-CG2 3.36Å; L39-V43 PolarHBondContact O-N 2.98Å; L39-F121 HydrophobicContact CB-CD2 4.01Å; L39-F121 HydrophobicContact CB-CE2 4.25Å
40G97.9Very high93.5Very high0 Ų065.4 Ų65.40%032%0.32CS..Hα-helixtrans-57.2-46.7176.400000112.3L36 E37 V43 S44 G124 L125L36-G40 PolarHBondContact O-N 3.36Å; E37-G40 WeakPolarHBondContact O-CA 3.09Å; E37-G40 PolarHBondContact O-N 3.36Å; E37-G40 VanDerWaalsContact O-N 3.07Å; G40-V43 PolarHBondContact O-N 3.17Å; G40-S44 WeakPolarHBondContact O-CB 3.48Å; G40-S44 PolarHBondContact O-N 3.12Å; G40-S44 PolarHBondContact O-OG 3.2Å; G40-G124 VanDerWaalsContact C-C 3.42Å; G40-G124 CarbonylContact C-O 3.36Å; G40-L125 WeakPolarHBondContact O-CA 3.48Å
41V98.4Very high94.8Very high28 Ų2862.4 Ų62.417%0.1731%0.31CS..Hα-helixtrans-58.7-55.2177.3173.80000110.4E37 S38 L39 V43 S44 E45 G124 K127E37-V41 WeakPolarHBondContact O-CG2 3.19Å; E37-V41 PolarHBondContact O-N 2.89Å; S38-V41 PolarHBondContact O-N 3.19Å; L39-V41 PolarHBondContact O-N 2.8Å; V41-V43 VanDerWaalsContact C-N 3.28Å; V41-V43 PolarHBondContact O-N 2.91Å; V41-S44 PolarHBondContact O-N 3.28Å; V41-S44 VanDerWaalsContact O-N 3.08Å; V41-S44 PolarHBondContact O-OG 3.39Å; V41-E45 WeakPolarHBondContact O-CG 3.39Å; V41-E45 PolarHBondContact O-N 3Å; V41-E45 VanDerWaalsContact O-N 3.08Å; V41-G124 WeakPolarHBondContact CA-O 3.5Å; V41-G124 VanDerWaalsContact CG2-O 3.31Å; V41-G124 WeakPolarHBondContact CG2-O 3.34Å; V41-G124 PolarHBondContact N-O 2.89Å; V41-K127 HydrophobicContact CG2-CD 4.47Å
42N97.9Very high95.5Very high81 Ų8162.2 Ų62.243%0.43331%0.307SS..Hα-helixtrans-61.8-33.8-177.2-67.2-26.4000113.3S38 L39S38-N42 WeakPolarHBondContact O-CB 3.46Å; S38-N42 PolarHBondContact O-N 2.68Å; S38-N42 PolarHBondContact O-ND2 3.26Å; S38-N42 VanDerWaalsContact O-ND2 3.13Å; L39-N42 PolarHBondContact O-N 3.08Å
43V97.7Very high95.7Very high57 Ų5769.1 Ų69.135%0.34534%0.336SS..Hα-helixtrans-70.3-45.8174.8168.80000110.1L39 G40 V41 E45 K46 L47 F121 L125L39-V43 WeakPolarHBondContact O-CB 3.49Å; L39-V43 VanDerWaalsContact O-CG2 3.27Å; L39-V43 WeakPolarHBondContact O-CG2 3.36Å; L39-V43 PolarHBondContact O-N 2.98Å; G40-V43 PolarHBondContact O-N 3.17Å; V41-V43 VanDerWaalsContact C-N 3.28Å; V41-V43 PolarHBondContact O-N 2.91Å; V43-E45 PolarHBondContact O-N 3.08Å; V43-K46 PolarHBondContact O-N 3.46Å; V43-L47 HydrophobicContact CG1-CD1 3.66Å; V43-L47 HydrophobicContact CG1-CG 4.14Å; V43-L47 WeakPolarHBondContact O-CG 3.48Å; V43-L47 PolarHBondContact O-N 3.41Å; V43-L47 VanDerWaalsContact O-N 3.14Å; V43-F121 HydrophobicContact CB-CE2 4.42Å; V43-F121 HydrophobicContact CB-CZ 4.27Å; V43-F121 HydrophobicContact CG1-CZ 4.22Å; V43-F121 HydrophobicContact CG2-CE2 4.18Å; V43-F121 HydrophobicContact CG2-CZ 4.35Å; V43-L125 HydrophobicContact CB-CD1 4.44Å; V43-L125 HydrophobicContact CG1-CD1 4.02Å
44S97.9Very high95.5Very high0 Ų073.8 Ų73.80%036%0.362CS..Hα-helixtrans-63.1-38.5-176.967.40000113.6G40 V41 K46 L47 I48 L125 G128 A129G40-S44 WeakPolarHBondContact O-CB 3.48Å; G40-S44 PolarHBondContact O-N 3.12Å; G40-S44 PolarHBondContact O-OG 3.2Å; V41-S44 PolarHBondContact O-N 3.28Å; V41-S44 VanDerWaalsContact O-N 3.08Å; V41-S44 PolarHBondContact O-OG 3.39Å; S44-K46 PolarHBondContact O-N 3.33Å; S44-L47 PolarHBondContact O-N 3.28Å; S44-L47 VanDerWaalsContact O-N 3.16Å; S44-I48 WeakPolarHBondContact O-CB 3.36Å; S44-I48 WeakPolarHBondContact O-CG2 3.37Å; S44-I48 PolarHBondContact O-N 3.41Å; S44-L125 WeakPolarHBondContact CB-O 3.48Å; S44-L125 PolarHBondContact OG-O 3.01Å; S44-G128 WeakPolarHBondContact OG-CA 3.4Å; S44-A129 PolarHBondContact OG-N 2.96Å; S44-A129 VanDerWaalsContact OG-N 3.14Å
45E96.7Very high95.5Very high90 Ų9071.5 Ų71.542%0.42136%0.357SS..Hα-helixtrans-55.3-42.5178.1-71.9175.8164.300111.4V41 V43 E49V41-E45 WeakPolarHBondContact O-CG 3.39Å; V41-E45 PolarHBondContact O-N 3Å; V41-E45 VanDerWaalsContact O-N 3.08Å; V43-E45 PolarHBondContact O-N 3.08Å; E45-E49 WeakPolarHBondContact O-CB 3.27Å; E45-E49 PolarHBondContact O-N 2.95Å
46K96.4Very high95.3Very high154 Ų15471.4 Ų71.467%0.6737%0.37SS*.Hα-helixtrans-73.7-40179-60174.1-173.4177.60112.3V43 S44 K50V43-K46 PolarHBondContact O-N 3.46Å; S44-K46 PolarHBondContact O-N 3.33Å; K46-K50 PolarHBondContact O-N 3.06Å
47L97.2Very high95Very high68 Ų6878.9 Ų78.936%0.35640%0.399SS..Hα-helixtrans-69.6-43.9-178.4-70.8-178.8000111.3V43 S44 K50 A51 F72 V76 L125V43-L47 HydrophobicContact CG1-CD1 3.66Å; V43-L47 HydrophobicContact CG1-CG 4.14Å; V43-L47 WeakPolarHBondContact O-CG 3.48Å; V43-L47 PolarHBondContact O-N 3.41Å; V43-L47 VanDerWaalsContact O-N 3.14Å; S44-L47 PolarHBondContact O-N 3.28Å; S44-L47 VanDerWaalsContact O-N 3.16Å; L47-K50 PolarHBondContact O-N 3.09Å; L47-A51 VanDerWaalsContact O-CB 3.28Å; L47-A51 WeakPolarHBondContact O-CB 3.47Å; L47-A51 PolarHBondContact O-N 2.91Å; L47-F72 HydrophobicContact CB-CE2 3.72Å; L47-F72 HydrophobicContact CB-CZ 4.39Å; L47-V76 HydrophobicContact CD1-CG2 4Å; L47-L125 HydrophobicContact CD1-CD1 4.44Å
48I96.5Very high94.9Very high2 Ų277.6 Ų77.61%0.0139%0.392CS..Hα-helixtrans-70.7-40.3-177.3-160.368.4000111.3S44 K50 A51 T52 Y67 F72 A129 L133S44-I48 WeakPolarHBondContact O-CB 3.36Å; S44-I48 WeakPolarHBondContact O-CG2 3.37Å; S44-I48 PolarHBondContact O-N 3.41Å; I48-K50 VanDerWaalsContact C-N 3.28Å; I48-K50 PolarHBondContact O-N 3.14Å; I48-A51 PolarHBondContact O-N 3.29Å; I48-A51 VanDerWaalsContact O-N 3.1Å; I48-T52 HydrophobicContact CD1-CG2 4.16Å; I48-T52 HydrophobicContact CG1-CG2 4.23Å; I48-T52 PolarHBondContact O-N 2.8Å; I48-T52 PolarHBondContact O-OG1 3.2Å; I48-Y67 HydrophobicContact CD1-CD1 4.4Å; I48-Y67 HydrophobicContact CD1-CE1 3.88Å; I48-F72 HydrophobicContact CB-CD2 4.36Å; I48-F72 HydrophobicContact CB-CE2 4.09Å; I48-F72 HydrophobicContact CD1-CB 4.1Å; I48-F72 HydrophobicContact CD1-CD2 3.46Å; I48-F72 VanDerWaalsContact CD1-CD2 3.46Å; I48-F72 HydrophobicContact CD1-CE2 4.03Å; I48-F72 HydrophobicContact CD1-CG 3.85Å; I48-A129 HydrophobicContact CB-CB 4.39Å; I48-A129 HydrophobicContact CD1-CB 4.23Å; I48-A129 HydrophobicContact CG1-CB 4.29Å; I48-L133 HydrophobicContact CD1-CD1 4Å; I48-L133 HydrophobicContact CD1-CG 4.49Å; I48-L133 HydrophobicContact CG1-CD1 3.95Å; I48-L133 HydrophobicContact CG1-CD2 4Å; I48-L133 HydrophobicContact CG1-CG 3.89Å
49E93.6Very high94.6Very high146 Ų14680.4 Ų80.468%0.68241%0.407SS*.Hα-helixtrans-56.2-44.9174.1-176.1-174176.300111E45 K53E45-E49 WeakPolarHBondContact O-CB 3.27Å; E45-E49 PolarHBondContact O-N 2.95Å; E49-K53 PolarHBondContact O-N 3.19Å
50K95.1Very high94.4Very high173 Ų17381 Ų8175%0.75241%0.411SS*.Hα-helixtrans-67-42175.9-175180176.8-1750112.1K46 L47 I48K46-K50 PolarHBondContact O-N 3.06Å; L47-K50 PolarHBondContact O-N 3.09Å; I48-K50 VanDerWaalsContact C-N 3.28Å; I48-K50 PolarHBondContact O-N 3.14Å
51A94.2Very high94.2Very high43 Ų4382.6 Ų82.636%0.35542%0.418SS..Hα-helixtrans-69.5-32.2-17600000112.8L47 I48 Y67L47-A51 VanDerWaalsContact O-CB 3.28Å; L47-A51 WeakPolarHBondContact O-CB 3.47Å; L47-A51 PolarHBondContact O-N 2.91Å; I48-A51 PolarHBondContact O-N 3.29Å; I48-A51 VanDerWaalsContact O-N 3.1Å; A51-Y67 PolarHBondContact O-OH 3.42Å
52T94.6Very high94Very high29 Ų2983.9 Ų83.918%0.17842%0.424CS..Hα-helixtrans-100.62.2-176.962.90000114.5I48 D54 H55 F58 Y67 L133I48-T52 HydrophobicContact CD1-CG2 4.16Å; I48-T52 HydrophobicContact CG1-CG2 4.23Å; I48-T52 PolarHBondContact O-N 2.8Å; I48-T52 PolarHBondContact O-OG1 3.2Å; T52-D54 VanDerWaalsContact C-N 3.25Å; T52-D54 PolarHBondContact O-N 3.41Å; T52-D54 VanDerWaalsContact O-N 3.15Å; T52-H55 PolarHBondContact O-N 2.94Å; T52-F58 HydrophobicContact CG2-CE2 4.1Å; T52-F58 HydrophobicContact CG2-CZ 4.04Å; T52-Y67 HydrophobicContact CG2-CD1 4.45Å; T52-Y67 HydrophobicContact CG2-CE1 3.65Å; T52-L133 HydrophobicContact CG2-CD2 3.98Å
53K91.5Very high93.9Very high166 Ų16682.3 Ų82.372%0.72242%0.415SS*.THydrogen-bonded Turntrans-50-43-176.3-176.8-179.2174.8-175.90113.8E49E49-K53 PolarHBondContact O-N 3.19Å
54D89.1Confident93.8Very high153 Ų15379.6 Ų79.682%0.81840%0.399SS*.THydrogen-bonded Turntrans-113.113.8-178.8-57.1-53.5000112.1T52T52-D54 VanDerWaalsContact C-N 3.25Å; T52-D54 PolarHBondContact O-N 3.41Å; T52-D54 VanDerWaalsContact O-N 3.15Å
55H92Very high93.8Very high85 Ų8579.6 Ų79.639%0.39440%0.399SS..SBendtrans-79.8143.3-179.2-166.7-82.4000110.5T52 F58 Y67T52-H55 PolarHBondContact O-N 2.94Å; H55-F58 AromaticContact CE1-CE1 3.56Å; H55-F58 AromaticContact CE1-CZ 3.91Å; H55-F58 AromaticContact ND1-CE1 3.79Å; H55-F58 AromaticContact ND1-CZ 3.72Å; H55-Y67 AromaticContact CD2-CD2 3.93Å; H55-Y67 AromaticContact CD2-CE2 3.39Å; H55-Y67 WeakPolarHBondContact CD2-CE2 3.41Å; H55-Y67 AromaticContact NE2-CD2 3.47Å; H55-Y67 WeakPolarHBondContact NE2-CD2 3.29Å; H55-Y67 AromaticContact NE2-CE2 3.44Å; H55-Y67 WeakPolarHBondContact NE2-CE2 3.24Å
56A90.1Very high93.8Very high77 Ų7780.2 Ų80.264%0.63640%0.4SS*.PPolyproline II helixtrans-58.4147172.500000110.6F58A56-F58 PolarHBondContact O-N 3.36Å
57R89.9Confident93.8Very high158 Ų15874.1 Ų74.160%0.59637%0.373SS*.PPolyproline II helixtrans-59.1131179.1179.1171.1167.1-174.2-6.3110.7I161 S162R57-I161 PolarHBondContact NE-O 3.49Å; R57-I161 PolarHBondContact NH2-O 3.2Å; R57-S162 VanDerWaalsContact CZ-C 3.46Å; R57-S162 PolarHBondContact NH1-OXT 3.26Å; R57-S162 VanDerWaalsContact NH2-CA 3.26Å; R57-S162 PolarHBondContact NH2-OXT 2.56Å
58F93.2Very high93.9Very high22 Ų2270.9 Ų70.910%0.09636%0.357CS..PPolyproline II helixtrans-63134.9173.4-59.2-74.5000110.4T52 H55 A56 D63 I64 Y67 L133T52-F58 HydrophobicContact CG2-CE2 4.1Å; T52-F58 HydrophobicContact CG2-CZ 4.04Å; H55-F58 AromaticContact CE1-CE1 3.56Å; H55-F58 AromaticContact CE1-CZ 3.91Å; H55-F58 AromaticContact ND1-CE1 3.79Å; H55-F58 AromaticContact ND1-CZ 3.72Å; A56-F58 PolarHBondContact O-N 3.36Å; F58-D63 HydrophobicContact CD1-CB 4.27Å; F58-I64 HydrophobicContact CB-CD1 4.24Å; F58-I64 HydrophobicContact CB-CG1 3.54Å; F58-I64 HydrophobicContact CD1-CG1 4.08Å; F58-I64 HydrophobicContact CD2-CG1 3.99Å; F58-I64 HydrophobicContact CG-CG1 3.59Å; F58-Y67 HydrophobicContact CE1-CD1 4.16Å; F58-Y67 HydrophobicContact CE1-CD2 4.02Å; F58-Y67 AromaticContact CE1-CG 3.64Å; F58-Y67 HydrophobicContact CE1-CG 3.64Å; F58-Y67 AromaticContact CZ-CD1 3.83Å; F58-Y67 HydrophobicContact CZ-CD1 3.83Å; F58-Y67 HydrophobicContact CZ-CD2 4.17Å; F58-Y67 HydrophobicContact CZ-CE1 4.31Å; F58-Y67 AromaticContact CZ-CG 3.76Å; F58-Y67 HydrophobicContact CZ-CG 3.76Å; F58-L133 HydrophobicContact CD2-CD2 4.47Å; F58-L133 HydrophobicContact CE2-CD1 3.87Å; F58-L133 HydrophobicContact CE2-CD2 3.81Å; F58-L133 HydrophobicContact CE2-CG 4.38Å; F58-L133 HydrophobicContact CZ-CD1 4.07Å
59T90.3Very high94Very high110 Ų11071 Ų7168%0.67536%0.358SS*.  trans-87.4-29.1-175750000112.6D63T59-D63 WeakPolarHBondContact CB-OD2 3.4Å; T59-D63 PolarHBondContact N-OD2 3.22Å; T59-D63 PolarHBondContact OG1-OD2 2.7Å
60N91.9Very high94.1Very high59 Ų5966.1 Ų66.132%0.31634%0.337SS..SBendtrans-155.3170.9-175.664.270000110.9L62 D63 I64N60-L62 VanDerWaalsContact C-N 3.34Å; N60-L62 PolarHBondContact O-N 2.75Å; N60-L62 WeakPolarHBondContact OD1-CA 3.44Å; N60-L62 VanDerWaalsContact OD1-CB 3.28Å; N60-L62 WeakPolarHBondContact OD1-CB 3.44Å; N60-L62 PolarHBondContact OD1-N 2.88Å; N60-D63 VanDerWaalsContact ND2-CG 3.33Å; N60-D63 PolarHBondContact ND2-OD1 3.47Å; N60-D63 PolarHBondContact ND2-OD2 2.93Å; N60-D63 WeakPolarHBondContact O-CB 3.4Å; N60-D63 PolarHBondContact O-N 3.19Å; N60-D63 PolarHBondContact OD1-N 3.47Å; N60-D63 PolarHBondContact OD1-OD1 2.93Å; N60-I64 PolarHBondContact O-N 3.42Å
61E93.6Very high94.2Very high33 Ų3362.8 Ų62.815%0.15433%0.325CS..Hα-helixtrans-56.3-42.4178.2171171.3139.700113.6D63 I64 V65 Y92 L135 V155 Y158E61-D63 VanDerWaalsContact C-N 3.3Å; E61-D63 PolarHBondContact O-N 3.4Å; E61-I64 WeakPolarHBondContact O-CB 3.26Å; E61-I64 PolarHBondContact O-N 2.92Å; E61-V65 WeakPolarHBondContact O-CG2 3.4Å; E61-V65 PolarHBondContact O-N 2.86Å; E61-Y92 HydrophobicContact CG-CE2 4.3Å; E61-Y92 VanDerWaalsContact OE1-CE2 3.24Å; E61-Y92 WeakPolarHBondContact OE1-CE2 3.34Å; E61-Y92 PolarHBondContact OE1-OH 2.98Å; E61-Y92 VanDerWaalsContact OE1-OH 3.13Å; E61-L135 HydrophobicContact CB-CD2 3.89Å; E61-L135 HydrophobicContact CG-CD1 3.93Å; E61-L135 HydrophobicContact CG-CD2 3.48Å; E61-L135 VanDerWaalsContact CG-CD2 3.48Å; E61-L135 HydrophobicContact CG-CG 4.38Å; E61-V155 WeakPolarHBondContact OE1-CG2 3.28Å; E61-Y158 HydrophobicContact CB-CD1 4.46Å
62L94.9Very high94.4Very high55 Ų5560.7 Ų60.729%0.28831%0.308SS..Hα-helixtrans-65-34.7-179.5179.165.8000111.9N60 I64 V65 K66 Y92N60-L62 VanDerWaalsContact C-N 3.34Å; N60-L62 PolarHBondContact O-N 2.75Å; N60-L62 WeakPolarHBondContact OD1-CA 3.44Å; N60-L62 VanDerWaalsContact OD1-CB 3.28Å; N60-L62 WeakPolarHBondContact OD1-CB 3.44Å; N60-L62 PolarHBondContact OD1-N 2.88Å; L62-I64 VanDerWaalsContact C-N 3.33Å; L62-V65 PolarHBondContact O-N 3.41Å; L62-K66 HydrophobicContact CD1-CG 4.39Å; L62-K66 HydrophobicContact CG-CD 4.21Å; L62-K66 HydrophobicContact CG-CG 4.48Å; L62-K66 WeakPolarHBondContact O-CB 3.36Å; L62-K66 VanDerWaalsContact O-CG 3.28Å; L62-K66 WeakPolarHBondContact O-CG 3.5Å; L62-K66 PolarHBondContact O-N 3.32Å; L62-Y92 HydrophobicContact CD1-CE1 3.89Å
63D95.1Very high94.5Very high48 Ų4859.4 Ų59.426%0.25730%0.299SS..Hα-helixtrans-64.2-40.4175.5-66.9-8.6000111.3F58 T59 N60 E61 K66 Y67F58-D63 HydrophobicContact CD1-CB 4.27Å; T59-D63 WeakPolarHBondContact CB-OD2 3.4Å; T59-D63 PolarHBondContact N-OD2 3.22Å; T59-D63 PolarHBondContact OG1-OD2 2.7Å; N60-D63 VanDerWaalsContact ND2-CG 3.33Å; N60-D63 PolarHBondContact ND2-OD1 3.47Å; N60-D63 PolarHBondContact ND2-OD2 2.93Å; N60-D63 WeakPolarHBondContact O-CB 3.4Å; N60-D63 PolarHBondContact O-N 3.19Å; N60-D63 PolarHBondContact OD1-N 3.47Å; N60-D63 PolarHBondContact OD1-OD1 2.93Å; E61-D63 VanDerWaalsContact C-N 3.3Å; E61-D63 PolarHBondContact O-N 3.4Å; D63-K66 PolarHBondContact O-N 2.84Å; D63-Y67 WeakPolarHBondContact O-CB 3.4Å; D63-Y67 PolarHBondContact O-N 3.08Å
64I96.2Very high94.7Very high0 Ų053.3 Ų53.30%028%0.278CS..Hα-helixtrans-62.3-51.3175.9-64.4167.7000109.7F58 N60 E61 L62 K66 Y67 V68 L130 L133 L135 Y158F58-I64 HydrophobicContact CB-CD1 4.24Å; F58-I64 HydrophobicContact CB-CG1 3.54Å; F58-I64 HydrophobicContact CD1-CG1 4.08Å; F58-I64 HydrophobicContact CD2-CG1 3.99Å; F58-I64 HydrophobicContact CG-CG1 3.59Å; N60-I64 PolarHBondContact O-N 3.42Å; E61-I64 WeakPolarHBondContact O-CB 3.26Å; E61-I64 PolarHBondContact O-N 2.92Å; L62-I64 VanDerWaalsContact C-N 3.33Å; I64-K66 VanDerWaalsContact C-N 3.31Å; I64-K66 PolarHBondContact O-N 3.17Å; I64-Y67 PolarHBondContact O-N 3.14Å; I64-V68 WeakPolarHBondContact O-CG2 3.4Å; I64-V68 PolarHBondContact O-N 3.41Å; I64-L130 HydrophobicContact CG2-CD2 4.12Å; I64-L133 HydrophobicContact CD1-CB 4.44Å; I64-L133 WeakPolarHBondContact CD1-O 3.37Å; I64-L133 HydrophobicContact CG1-CB 4.48Å; I64-L133 HydrophobicContact CG2-CB 3.63Å; I64-L133 HydrophobicContact CG2-CD1 3.72Å; I64-L133 HydrophobicContact CG2-CG 4.33Å; I64-L135 HydrophobicContact CB-CD1 3.76Å; I64-L135 HydrophobicContact CB-CG 4.49Å; I64-L135 HydrophobicContact CD1-CD1 4.19Å; I64-L135 HydrophobicContact CD1-CG 4.02Å; I64-L135 HydrophobicContact CG2-CD1 3.48Å; I64-L135 VanDerWaalsContact CG2-CD1 3.48Å; I64-L135 HydrophobicContact CG2-CG 4.14Å; I64-Y158 HydrophobicContact CD1-CD2 4.49Å; I64-Y158 HydrophobicContact CD1-CE2 3.59Å
65V97.4Very high94.9Very high1 Ų149.3 Ų49.31%0.00626%0.262CS..Hα-helixtrans-61-42.1-179.3178.30000110.8E61 L62 V68 C69 L84 Y92 L130 L135E61-V65 WeakPolarHBondContact O-CG2 3.4Å; E61-V65 PolarHBondContact O-N 2.86Å; L62-V65 PolarHBondContact O-N 3.41Å; V65-V68 PolarHBondContact O-N 3.37Å; V65-C69 WeakPolarHBondContact O-CB 3.34Å; V65-C69 PolarHBondContact O-N 2.99Å; V65-C69 PolarHBondContact O-SG 3.48Å; V65-L84 HydrophobicContact CG1-CD1 3.8Å; V65-L84 HydrophobicContact CG1-CD2 3.97Å; V65-Y92 HydrophobicContact CB-CD1 4.41Å; V65-Y92 HydrophobicContact CB-CE1 4.38Å; V65-Y92 HydrophobicContact CG1-CD1 3.83Å; V65-Y92 HydrophobicContact CG1-CE1 4.28Å; V65-Y92 HydrophobicContact CG1-CG 4.04Å; V65-Y92 HydrophobicContact CG2-CD1 4.37Å; V65-Y92 HydrophobicContact CG2-CD2 4.17Å; V65-Y92 HydrophobicContact CG2-CE1 4.23Å; V65-Y92 HydrophobicContact CG2-CE2 4.03Å; V65-Y92 HydrophobicContact CG2-CG 4.34Å; V65-L130 HydrophobicContact CG2-CD2 4.1Å; V65-L135 HydrophobicContact CG2-CD1 3.87Å
66K97.1Very high95Very high103 Ų10346.2 Ų46.245%0.44825%0.249SC..Hα-helixtrans-60.4-48.7175.9-78.7174.1178.3172.80111.9L62 D63 I64 V68 C69 T70 L84L62-K66 HydrophobicContact CD1-CG 4.39Å; L62-K66 HydrophobicContact CG-CD 4.21Å; L62-K66 HydrophobicContact CG-CG 4.48Å; L62-K66 WeakPolarHBondContact O-CB 3.36Å; L62-K66 VanDerWaalsContact O-CG 3.28Å; L62-K66 WeakPolarHBondContact O-CG 3.5Å; L62-K66 PolarHBondContact O-N 3.32Å; D63-K66 PolarHBondContact O-N 2.84Å; I64-K66 VanDerWaalsContact C-N 3.31Å; I64-K66 PolarHBondContact O-N 3.17Å; K66-V68 VanDerWaalsContact C-N 3.28Å; K66-V68 PolarHBondContact O-N 3.27Å; K66-C69 PolarHBondContact O-N 3.15Å; K66-C69 VanDerWaalsContact O-N 3.16Å; K66-T70 WeakPolarHBondContact O-CG2 3.22Å; K66-T70 PolarHBondContact O-N 3Å; K66-T70 PolarHBondContact O-OG1 3.33Å; K66-T70 VanDerWaalsContact O-OG1 3.09Å; K66-L84 HydrophobicContact CG-CD2 4.14Å
67Y97.5Very high95.2Very high25 Ų2543 Ų4310%0.09822%0.22CC..Hα-helixtrans-58.9-41.9178178.6-90.4000111.8I48 A51 T52 H55 F58 D63 I64 T70 E71 F72 L133I48-Y67 HydrophobicContact CD1-CD1 4.4Å; I48-Y67 HydrophobicContact CD1-CE1 3.88Å; A51-Y67 PolarHBondContact O-OH 3.42Å; T52-Y67 HydrophobicContact CG2-CD1 4.45Å; T52-Y67 HydrophobicContact CG2-CE1 3.65Å; H55-Y67 AromaticContact CD2-CD2 3.93Å; H55-Y67 AromaticContact CD2-CE2 3.39Å; H55-Y67 WeakPolarHBondContact CD2-CE2 3.41Å; H55-Y67 AromaticContact NE2-CD2 3.47Å; H55-Y67 WeakPolarHBondContact NE2-CD2 3.29Å; H55-Y67 AromaticContact NE2-CE2 3.44Å; H55-Y67 WeakPolarHBondContact NE2-CE2 3.24Å; F58-Y67 HydrophobicContact CE1-CD1 4.16Å; F58-Y67 HydrophobicContact CE1-CD2 4.02Å; F58-Y67 AromaticContact CE1-CG 3.64Å; F58-Y67 HydrophobicContact CE1-CG 3.64Å; F58-Y67 AromaticContact CZ-CD1 3.83Å; F58-Y67 HydrophobicContact CZ-CD1 3.83Å; F58-Y67 HydrophobicContact CZ-CD2 4.17Å; F58-Y67 HydrophobicContact CZ-CE1 4.31Å; F58-Y67 AromaticContact CZ-CG 3.76Å; F58-Y67 HydrophobicContact CZ-CG 3.76Å; D63-Y67 WeakPolarHBondContact O-CB 3.4Å; D63-Y67 PolarHBondContact O-N 3.08Å; I64-Y67 PolarHBondContact O-N 3.14Å; Y67-T70 PolarHBondContact O-N 3.25Å; Y67-E71 HydrophobicContact CD2-CB 3.81Å; Y67-E71 HydrophobicContact CD2-CG 3.61Å; Y67-E71 HydrophobicContact CE1-CB 4.37Å; Y67-E71 HydrophobicContact CE2-CB 3.54Å; Y67-E71 HydrophobicContact CE2-CG 3.6Å; Y67-E71 HydrophobicContact CG-CB 4.34Å; Y67-E71 HydrophobicContact CG-CG 4.42Å; Y67-E71 PolarHBondContact O-N 2.8Å; Y67-F72 HydrophobicContact CE1-CB 4.38Å; Y67-F72 PolarHBondContact O-N 3.16Å; Y67-F72 VanDerWaalsContact O-N 3.14Å; Y67-L133 HydrophobicContact CD1-CD1 4.42Å
68V98Very high95.3Very high1 Ų141.3 Ų41.31%0.00622%0.219CC..Iπ-helixtrans-62.6-43.9176.6170.80000111.2I64 V65 K66 F72 W73 L126 A129 L130 L133I64-V68 WeakPolarHBondContact O-CG2 3.4Å; I64-V68 PolarHBondContact O-N 3.41Å; V65-V68 PolarHBondContact O-N 3.37Å; K66-V68 VanDerWaalsContact C-N 3.28Å; K66-V68 PolarHBondContact O-N 3.27Å; V68-F72 HydrophobicContact CG1-CD1 4.17Å; V68-W73 VanDerWaalsContact O-CB 3.25Å; V68-W73 WeakPolarHBondContact O-CB 3.17Å; V68-W73 PolarHBondContact O-N 2.9Å; V68-L126 HydrophobicContact CG1-CD2 3.66Å; V68-A129 HydrophobicContact CG2-CB 4.3Å; V68-L130 HydrophobicContact CB-CD2 4.15Å; V68-L130 HydrophobicContact CG1-CD2 4.35Å; V68-L130 HydrophobicContact CG1-CG 4.36Å; V68-L130 HydrophobicContact CG2-CD2 3.84Å; V68-L130 HydrophobicContact CG2-CG 4.31Å; V68-L133 HydrophobicContact CG2-CD1 4.18Å
69C98Very high95.3Very high5 Ų543 Ų433%0.03423%0.226CC..Iπ-helixtrans-69-29.3179.3-71.20000114.5V65 K66 V81 L94V65-C69 WeakPolarHBondContact O-CB 3.34Å; V65-C69 PolarHBondContact O-N 2.99Å; V65-C69 PolarHBondContact O-SG 3.48Å; K66-C69 PolarHBondContact O-N 3.15Å; K66-C69 VanDerWaalsContact O-N 3.16Å; C69-V81 HydrophobicContact CB-CB 4Å; C69-V81 HydrophobicContact CB-CG2 3.98Å; C69-V81 PolarHBondContact O-N 3.03Å; C69-L94 WeakPolarHBondContact SG-CD2 3.18Å; C69-L94 VanDerWaalsContact SG-CG 3.59Å
70T97.1Very high95.6Very high42 Ų4242.6 Ų42.626%0.25822%0.216SC..Iπ-helixtrans-102.9-62.3-175.9640000112.2K66 Y67 S74K66-T70 WeakPolarHBondContact O-CG2 3.22Å; K66-T70 PolarHBondContact O-N 3Å; K66-T70 PolarHBondContact O-OG1 3.33Å; K66-T70 VanDerWaalsContact O-OG1 3.09Å; Y67-T70 PolarHBondContact O-N 3.25Å; T70-S74 WeakPolarHBondContact O-CB 3.29Å; T70-S74 PolarHBondContact O-N 3.39Å
71E96.9Very high95.9Very high103 Ų10340.6 Ų40.648%0.48121%0.206SC..Iπ-helixtrans-81.8-53.2-170.4-55.7-49.2123.100111.3Y67 S75Y67-E71 HydrophobicContact CD2-CB 3.81Å; Y67-E71 HydrophobicContact CD2-CG 3.61Å; Y67-E71 HydrophobicContact CE1-CB 4.37Å; Y67-E71 HydrophobicContact CE2-CB 3.54Å; Y67-E71 HydrophobicContact CE2-CG 3.6Å; Y67-E71 HydrophobicContact CG-CB 4.34Å; Y67-E71 HydrophobicContact CG-CG 4.42Å; Y67-E71 PolarHBondContact O-N 2.8Å; E71-S75 WeakPolarHBondContact O-CB 3.11Å; E71-S75 PolarHBondContact O-N 3.29Å
72F97.6Very high96.1Very high0 Ų042 Ų420%022%0.215CC..Iπ-helixtrans-66.8-50.7-175.7178.1-103.4000111.6L47 I48 Y67 V68 S74 S75 L125 A129L47-F72 HydrophobicContact CB-CE2 3.72Å; L47-F72 HydrophobicContact CB-CZ 4.39Å; I48-F72 HydrophobicContact CB-CD2 4.36Å; I48-F72 HydrophobicContact CB-CE2 4.09Å; I48-F72 HydrophobicContact CD1-CB 4.1Å; I48-F72 HydrophobicContact CD1-CD2 3.46Å; I48-F72 VanDerWaalsContact CD1-CD2 3.46Å; I48-F72 HydrophobicContact CD1-CE2 4.03Å; I48-F72 HydrophobicContact CD1-CG 3.85Å; Y67-F72 HydrophobicContact CE1-CB 4.38Å; Y67-F72 PolarHBondContact O-N 3.16Å; Y67-F72 VanDerWaalsContact O-N 3.14Å; V68-F72 HydrophobicContact CG1-CD1 4.17Å; F72-S74 VanDerWaalsContact C-N 3.33Å; F72-S74 PolarHBondContact O-N 3.35Å; F72-S75 WeakPolarHBondContact O-CB 3.33Å; F72-S75 PolarHBondContact O-N 3.14Å; F72-S75 VanDerWaalsContact O-N 3.11Å; F72-S75 PolarHBondContact O-OG 2.73Å; F72-L125 HydrophobicContact CE1-CD2 4.02Å; F72-L125 HydrophobicContact CE1-CG 3.8Å; F72-L125 HydrophobicContact CZ-CD1 4.18Å; F72-L125 HydrophobicContact CZ-CD2 4.37Å; F72-L125 HydrophobicContact CZ-CG 3.93Å; F72-A129 HydrophobicContact CD1-CB 3.85Å; F72-A129 HydrophobicContact CE1-CB 3.48Å; F72-A129 VanDerWaalsContact CE1-CB 3.48Å; F72-A129 HydrophobicContact CE2-CB 4.29Å; F72-A129 HydrophobicContact CG-CB 4.4Å; F72-A129 HydrophobicContact CZ-CB 3.74Å
73W97.2Very high96.2Very high1 Ų142 Ų420%0.00422%0.217CC..Hα-helixtrans-59.7-42.8178.7-174-95.5000111.9V68 S75 V76 Y77 V81 V96 F99 P122 L126 F151V68-W73 VanDerWaalsContact O-CB 3.25Å; V68-W73 WeakPolarHBondContact O-CB 3.17Å; V68-W73 PolarHBondContact O-N 2.9Å; W73-S75 VanDerWaalsContact C-N 3.29Å; W73-S75 PolarHBondContact O-N 2.87Å; W73-V76 PolarHBondContact O-N 3.15Å; W73-V76 VanDerWaalsContact O-N 3.14Å; W73-Y77 AromaticContact CD2-CD2 3.75Å; W73-Y77 HydrophobicContact CD2-CD2 3.75Å; W73-Y77 HydrophobicContact CD2-CE2 4.34Å; W73-Y77 AromaticContact CE2-CD2 3.52Å; W73-Y77 HydrophobicContact CE3-CD2 4Å; W73-Y77 HydrophobicContact CE3-CE2 4.14Å; W73-Y77 HydrophobicContact CG-CD2 4.4Å; W73-Y77 AromaticContact CH2-CD2 3.9Å; W73-Y77 HydrophobicContact CH2-CD2 3.9Å; W73-Y77 AromaticContact CH2-CE2 3.71Å; W73-Y77 HydrophobicContact CH2-CE2 3.71Å; W73-Y77 AromaticContact CZ2-CD2 3.6Å; W73-Y77 HydrophobicContact CZ2-CD2 3.6Å; W73-Y77 AromaticContact CZ2-CE2 3.89Å; W73-Y77 HydrophobicContact CZ2-CE2 3.89Å; W73-Y77 HydrophobicContact CZ2-CG 4.22Å; W73-Y77 HydrophobicContact CZ3-CD2 4.08Å; W73-Y77 AromaticContact CZ3-CE2 3.84Å; W73-Y77 HydrophobicContact CZ3-CE2 3.84Å; W73-Y77 PolarHBondContact O-N 3.45Å; W73-V81 HydrophobicContact CB-CG2 4.31Å; W73-V81 HydrophobicContact CD2-CG2 4.19Å; W73-V81 HydrophobicContact CG-CG2 3.89Å; W73-V96 HydrophobicContact CZ2-CG1 4.29Å; W73-V96 HydrophobicContact CZ2-CG2 3.8Å; W73-F99 HydrophobicContact CH2-CE2 4.25Å; W73-F99 HydrophobicContact CH2-CZ 4.32Å; W73-F99 HydrophobicContact CZ2-CD2 4.35Å; W73-F99 AromaticContact CZ2-CE2 3.8Å; W73-F99 HydrophobicContact CZ2-CE2 3.8Å; W73-F99 HydrophobicContact CZ2-CZ 4.31Å; W73-P122 HydrophobicContact CH2-CB 3.95Å; W73-P122 HydrophobicContact CZ3-CB 4.23Å; W73-L126 HydrophobicContact CE3-CD1 4.36Å; W73-L126 HydrophobicContact CE3-CD2 3.68Å; W73-L126 HydrophobicContact CE3-CG 4Å; W73-L126 HydrophobicContact CZ3-CD1 3.81Å; W73-L126 HydrophobicContact CZ3-CD2 3.96Å; W73-L126 HydrophobicContact CZ3-CG 3.74Å; W73-F151 HydrophobicContact CH2-CD2 4.47Å; W73-F151 AromaticContact CH2-CE2 3.69Å; W73-F151 HydrophobicContact CH2-CE2 3.69Å; W73-F151 AromaticContact CH2-CZ 4Å; W73-F151 HydrophobicContact CH2-CZ 4Å; W73-F151 HydrophobicContact CZ2-CE2 4.34Å; W73-F151 HydrophobicContact CZ3-CE2 4.41Å
74S94.9Very high96.4Very high38 Ų3842.4 Ų42.427%0.26622%0.219SC..Hα-helixtrans-66.5-28.8176.7-172.40000113.3T70 F72 V76 H78 K79T70-S74 WeakPolarHBondContact O-CB 3.29Å; T70-S74 PolarHBondContact O-N 3.39Å; F72-S74 VanDerWaalsContact C-N 3.33Å; F72-S74 PolarHBondContact O-N 3.35Å; S74-V76 PolarHBondContact O-N 2.91Å; S74-H78 WeakPolarHBondContact O-CA 3.1Å; S74-H78 PolarHBondContact O-N 2.89Å; S74-K79 VanDerWaalsContact CA-O 3.24Å; S74-K79 WeakPolarHBondContact CA-O 3.49Å; S74-K79 PolarHBondContact N-O 3.33Å
75S94.4Very high96.5Very high69 Ų6948.9 Ų48.948%0.48325%0.247SC..Hα-helixtrans-65.5-22.9174.680.10000113.4E71 F72 W73E71-S75 WeakPolarHBondContact O-CB 3.11Å; E71-S75 PolarHBondContact O-N 3.29Å; F72-S75 WeakPolarHBondContact O-CB 3.33Å; F72-S75 PolarHBondContact O-N 3.14Å; F72-S75 VanDerWaalsContact O-N 3.11Å; F72-S75 PolarHBondContact O-OG 2.73Å; W73-S75 VanDerWaalsContact C-N 3.29Å; W73-S75 PolarHBondContact O-N 2.87Å
76V94.1Very high96.5Very high20 Ų2050.5 Ų50.512%0.12126%0.258CS..Hα-helixtrans-103.8-47.1-178.5-178.80000112F12 L47 W73 S74 L125F12-V76 HydrophobicContact CE1-CG1 4.12Å; F12-V76 HydrophobicContact CZ-CG1 4.14Å; L47-V76 HydrophobicContact CD1-CG2 4Å; W73-V76 PolarHBondContact O-N 3.15Å; W73-V76 VanDerWaalsContact O-N 3.14Å; S74-V76 PolarHBondContact O-N 2.91Å; V76-L125 HydrophobicContact CB-CD2 4.29Å; V76-L125 HydrophobicContact CG1-CD2 4.03Å; V76-L125 HydrophobicContact CG2-CD2 4.13Å
77Y93.9Very high96.4Very high10 Ų1048.8 Ų48.84%0.03925%0.253CS..Hα-helixtrans-108.716-174.5-66.5-71.8000113.6Q7 F12 W73 K79 F99 P122 L125Q7-Y77 PolarHBondContact OE1-O 2.64Å; F12-Y77 HydrophobicContact CE1-CD1 4.46Å; F12-Y77 AromaticContact CE1-CE1 3.75Å; F12-Y77 HydrophobicContact CE1-CE1 3.75Å; W73-Y77 AromaticContact CD2-CD2 3.75Å; W73-Y77 HydrophobicContact CD2-CD2 3.75Å; W73-Y77 HydrophobicContact CD2-CE2 4.34Å; W73-Y77 AromaticContact CE2-CD2 3.52Å; W73-Y77 HydrophobicContact CE3-CD2 4Å; W73-Y77 HydrophobicContact CE3-CE2 4.14Å; W73-Y77 HydrophobicContact CG-CD2 4.4Å; W73-Y77 AromaticContact CH2-CD2 3.9Å; W73-Y77 HydrophobicContact CH2-CD2 3.9Å; W73-Y77 AromaticContact CH2-CE2 3.71Å; W73-Y77 HydrophobicContact CH2-CE2 3.71Å; W73-Y77 AromaticContact CZ2-CD2 3.6Å; W73-Y77 HydrophobicContact CZ2-CD2 3.6Å; W73-Y77 AromaticContact CZ2-CE2 3.89Å; W73-Y77 HydrophobicContact CZ2-CE2 3.89Å; W73-Y77 HydrophobicContact CZ2-CG 4.22Å; W73-Y77 HydrophobicContact CZ3-CD2 4.08Å; W73-Y77 AromaticContact CZ3-CE2 3.84Å; W73-Y77 HydrophobicContact CZ3-CE2 3.84Å; W73-Y77 PolarHBondContact O-N 3.45Å; Y77-K79 WeakPolarHBondContact O-CB 3.46Å; Y77-K79 PolarHBondContact O-N 3.36Å; Y77-F99 AromaticContact CD1-CE2 3.76Å; Y77-F99 HydrophobicContact CD1-CE2 3.76Å; Y77-F99 HydrophobicContact CD1-CZ 4.44Å; Y77-F99 HydrophobicContact CD2-CE2 4.48Å; Y77-F99 AromaticContact CE1-CE2 3.68Å; Y77-F99 HydrophobicContact CE1-CE2 3.68Å; Y77-F99 AromaticContact CE1-CZ 3.89Å; Y77-F99 HydrophobicContact CE1-CZ 3.89Å; Y77-F99 HydrophobicContact CE2-CE2 4.41Å; Y77-F99 HydrophobicContact CG-CE2 4.17Å; Y77-F99 AromaticContact CZ-CZ 3.97Å; Y77-P122 WeakPolarHBondContact OH-CG 3.28Å; Y77-L125 HydrophobicContact CE2-CD2 4.02Å
78H93Very high96.2Very high122 Ų12257.4 Ų57.457%0.56529%0.287SS*.SBendtrans5023.4172.4-56.3-34000115.6Q7 D10 S74Q7-H78 HydrophobicContact CG-CB 4.28Å; Q7-H78 PolarHBondContact NE2-CD2 3.01Å; D10-H78 IonicContact OD2-CD2 2.75Å; S74-H78 WeakPolarHBondContact O-CA 3.1Å; S74-H78 PolarHBondContact O-N 2.89Å
79K93.2Very high95.9Very high59 Ų5964.8 Ų64.826%0.25732%0.321SS..SBendtrans-156.4146.8-177.7-172.8-170.6166.2-179.70107.6S74 Y77 D82 N97S74-K79 VanDerWaalsContact CA-O 3.24Å; S74-K79 WeakPolarHBondContact CA-O 3.49Å; S74-K79 PolarHBondContact N-O 3.33Å; Y77-K79 WeakPolarHBondContact O-CB 3.46Å; Y77-K79 PolarHBondContact O-N 3.36Å; K79-D82 VanDerWaalsContact CE-OD1 3.26Å; K79-D82 WeakPolarHBondContact CE-OD1 3.47Å; K79-D82 VanDerWaalsContact CE-OD2 3.26Å; K79-D82 WeakPolarHBondContact CE-OD2 3.34Å; K79-D82 IonicContact NZ-OD1 2.83Å; K79-D82 PolarHBondContact NZ-OD1 2.93Å; K79-D82 IonicContact NZ-OD2 2.86Å; K79-D82 PolarHBondContact NZ-OD2 2.92Å; K79-N97 PolarHBondContact NZ-O 3.01Å
80Q96.3Very high95.7Very high100 Ų10067.5 Ų67.547%0.46734%0.335SS..  trans-78.8161.9171-58.7-175.6-15.300111.3D82Q80-D82 PolarHBondContact O-N 3.49Å
81V97.5Very high95.8Very high17 Ų1767.1 Ų67.110%0.10333%0.333CS..  trans-60129.6166.8174.10000109.4C69 W73 T83 L94 T95 V96C69-V81 HydrophobicContact CB-CB 4Å; C69-V81 HydrophobicContact CB-CG2 3.98Å; C69-V81 PolarHBondContact O-N 3.03Å; W73-V81 HydrophobicContact CB-CG2 4.31Å; W73-V81 HydrophobicContact CD2-CG2 4.19Å; W73-V81 HydrophobicContact CG-CG2 3.89Å; V81-T83 WeakPolarHBondContact CG1-O 3.38Å; V81-T83 PolarHBondContact O-N 2.89Å; V81-L94 HydrophobicContact CG1-CB 3.79Å; V81-L94 HydrophobicContact CG1-CG 4.2Å; V81-L94 HydrophobicContact CG2-CD2 4.25Å; V81-T95 WeakPolarHBondContact CG1-O 3.48Å; V81-V96 HydrophobicContact CG1-CG2 4.34Å; V81-V96 HydrophobicContact CG2-CG2 4.19Å
82D97.7Very high95.9Very high62 Ų6262.8 Ų62.833%0.33231%0.313SS..SBendtrans-68.3-34.3-174.3-64.1-104.8000113.1K79 Q80 T95 V96 N97K79-D82 VanDerWaalsContact CE-OD1 3.26Å; K79-D82 WeakPolarHBondContact CE-OD1 3.47Å; K79-D82 VanDerWaalsContact CE-OD2 3.26Å; K79-D82 WeakPolarHBondContact CE-OD2 3.34Å; K79-D82 IonicContact NZ-OD1 2.83Å; K79-D82 PolarHBondContact NZ-OD1 2.93Å; K79-D82 IonicContact NZ-OD2 2.86Å; K79-D82 PolarHBondContact NZ-OD2 2.92Å; Q80-D82 PolarHBondContact O-N 3.49Å; D82-T95 WeakPolarHBondContact CB-O 3.42Å; D82-T95 PolarHBondContact N-O 3.2Å; D82-V96 WeakPolarHBondContact OD2-CA 3.37Å; D82-N97 VanDerWaalsContact CB-ND2 3.32Å; D82-N97 WeakPolarHBondContact CB-ND2 3.45Å; D82-N97 VanDerWaalsContact CG-ND2 3.25Å; D82-N97 PolarHBondContact OD1-ND2 3.24Å; D82-N97 PolarHBondContact OD2-N 3.36Å
83T98Very high95.9Very high55 Ų5564.7 Ų64.734%0.33732%0.324SS..EExtended strand (participates in β ladder)trans-148.2130.1-179.8-60.60000111V81 K85 L94 T95V81-T83 WeakPolarHBondContact CG1-O 3.38Å; V81-T83 PolarHBondContact O-N 2.89Å; T83-K85 HydrophobicContact CG2-CG 3.99Å; T83-L94 CarbonylContact O-C 3.55Å; T83-L94 WeakPolarHBondContact O-CA 3.41Å; T83-T95 PolarHBondContact N-O 3.41Å; T83-T95 PolarHBondContact O-N 3.12Å
84L98.3Very high95.9Very high57 Ų5764.8 Ų64.830%0.29833%0.325SS..EExtended strand (participates in β ladder)trans-112.8120.4169.817663.4000109V65 K66 Y92 L94V65-L84 HydrophobicContact CG1-CD1 3.8Å; V65-L84 HydrophobicContact CG1-CD2 3.97Å; K66-L84 HydrophobicContact CG-CD2 4.14Å; L84-Y92 HydrophobicContact CD1-CD1 4.05Å; L84-L94 HydrophobicContact CD1-CD1 3.72Å; L84-L94 HydrophobicContact CD1-CG 4.04Å
85K98Very high96.1Very high136 Ų13664 Ų6459%0.59132%0.318SS*.EExtended strand (participates in β ladder)trans-115.6153.6170.9-64.2-177.6-173.7179.80110T83 Y92 V93T83-K85 HydrophobicContact CG2-CG 3.99Å; K85-Y92 CarbonylContact O-C 3.51Å; K85-Y92 VanDerWaalsContact O-CA 3.24Å; K85-Y92 WeakPolarHBondContact O-CA 3.43Å; K85-V93 HydrophobicContact CB-CB 4.46Å; K85-V93 PolarHBondContact N-O 3.32Å; K85-V93 PolarHBondContact O-N 2.9Å
86T97.4Very high96.2Very high36 Ų3660.9 Ų60.922%0.22130%0.296CS..EExtended strand (participates in β ladder)trans-142.8150.3173.7179.90000110.6Y88 V91 Y92T86-Y88 HydrophobicContact CG2-CD1 3.93Å; T86-Y88 HydrophobicContact CG2-CD2 4.45Å; T86-Y88 HydrophobicContact CG2-CE1 4Å; T86-Y88 HydrophobicContact CG2-CG 4.17Å; T86-Y88 PolarHBondContact OG1-N 3.26Å; T86-V91 VanDerWaalsContact CA-O 3.22Å; T86-V91 WeakPolarHBondContact CA-O 3.36Å; T86-V91 PolarHBondContact OG1-O 3.41Å; T86-V91 VanDerWaalsContact OG1-O 3.06Å; T86-Y92 HydrophobicContact CG2-CE1 4.27Å; T86-Y92 WeakPolarHBondContact OG1-CE1 3.28Å
87N95.9Very high96.3Very high67 Ų6762.4 Ų62.436%0.35830%0.304SS..  trans-81.31.9167.269.4-10.3000112.7Q89 D90 V91N87-Q89 PolarHBondContact O-N 3.3Å; N87-Q89 PolarHBondContact OD1-N 3.47Å; N87-D90 PolarHBondContact ND2-OD1 3.32Å; N87-D90 PolarHBondContact OD1-N 3.02Å; N87-D90 VanDerWaalsContact OD1-N 3.07Å; N87-V91 PolarHBondContact N-O 2.78Å; N87-V91 VanDerWaalsContact N-O 3.14Å; N87-V91 PolarHBondContact OD1-N 2.91Å; N87-V91 PolarHBondContact OD1-O 2.83Å
88Y92.9Very high96.3Very high205 Ų20564.9 Ų64.980%0.80432%0.318SS*.SBendtrans6122.1-174.3-54.5-86.6000114.4T86T86-Y88 HydrophobicContact CG2-CD1 3.93Å; T86-Y88 HydrophobicContact CG2-CD2 4.45Å; T86-Y88 HydrophobicContact CG2-CE1 4Å; T86-Y88 HydrophobicContact CG2-CG 4.17Å; T86-Y88 PolarHBondContact OG1-N 3.26Å
89Q92Very high96.3Very high156 Ų15659.4 Ų59.473%0.72929%0.292SS*.SBendtrans-124.2-71.7176.9-65.8-178.1-3000110.5N87N87-Q89 PolarHBondContact O-N 3.3Å; N87-Q89 PolarHBondContact OD1-N 3.47Å
90D94.2Very high96.3Very high62 Ų6258 Ų5833%0.33229%0.286SS..SBendtrans-150.1-7.8-167.263.2-27.9000113.1N87 T154 V155N87-D90 PolarHBondContact ND2-OD1 3.32Å; N87-D90 PolarHBondContact OD1-N 3.02Å; N87-D90 VanDerWaalsContact OD1-N 3.07Å; D90-T154 CarbonylContact O-C 3.55Å; D90-T154 WeakPolarHBondContact O-CA 3.2Å; D90-V155 PolarHBondContact O-N 3.45Å
91V97.9Very high96Very high34 Ų3454.1 Ų54.121%0.20627%0.27CS..EExtended strand (participates in β ladder)trans-115.5131.1-176.2178.80000111T86 N87 V93 T152 V153 T154T86-V91 VanDerWaalsContact CA-O 3.22Å; T86-V91 WeakPolarHBondContact CA-O 3.36Å; T86-V91 PolarHBondContact OG1-O 3.41Å; T86-V91 VanDerWaalsContact OG1-O 3.06Å; N87-V91 PolarHBondContact N-O 2.78Å; N87-V91 VanDerWaalsContact N-O 3.14Å; N87-V91 PolarHBondContact OD1-N 2.91Å; N87-V91 PolarHBondContact OD1-O 2.83Å; V91-V93 HydrophobicContact CG1-CG2 4.27Å; V91-T152 HydrophobicContact CG1-CG2 3.83Å; V91-V153 WeakPolarHBondContact CA-O 3.38Å; V91-T154 HydrophobicContact CG2-CG2 4.28Å
92Y98.5Very high95.9Very high13 Ų1353.3 Ų53.35%0.05127%0.265CS..EExtended strand (participates in β ladder)trans-120.1138.3168.7-58.6-94.8000110.1E61 L62 V65 L84 K85 T86 T152 V153 V155E61-Y92 HydrophobicContact CG-CE2 4.3Å; E61-Y92 VanDerWaalsContact OE1-CE2 3.24Å; E61-Y92 WeakPolarHBondContact OE1-CE2 3.34Å; E61-Y92 PolarHBondContact OE1-OH 2.98Å; E61-Y92 VanDerWaalsContact OE1-OH 3.13Å; L62-Y92 HydrophobicContact CD1-CE1 3.89Å; V65-Y92 HydrophobicContact CB-CD1 4.41Å; V65-Y92 HydrophobicContact CB-CE1 4.38Å; V65-Y92 HydrophobicContact CG1-CD1 3.83Å; V65-Y92 HydrophobicContact CG1-CE1 4.28Å; V65-Y92 HydrophobicContact CG1-CG 4.04Å; V65-Y92 HydrophobicContact CG2-CD1 4.37Å; V65-Y92 HydrophobicContact CG2-CD2 4.17Å; V65-Y92 HydrophobicContact CG2-CE1 4.23Å; V65-Y92 HydrophobicContact CG2-CE2 4.03Å; V65-Y92 HydrophobicContact CG2-CG 4.34Å; L84-Y92 HydrophobicContact CD1-CD1 4.05Å; K85-Y92 CarbonylContact O-C 3.51Å; K85-Y92 VanDerWaalsContact O-CA 3.24Å; K85-Y92 WeakPolarHBondContact O-CA 3.43Å; T86-Y92 HydrophobicContact CG2-CE1 4.27Å; T86-Y92 WeakPolarHBondContact OG1-CE1 3.28Å; Y92-T152 CarbonylContact O-C 3.55Å; Y92-T152 WeakPolarHBondContact O-CA 3.38Å; Y92-V153 PolarHBondContact N-O 2.92Å; Y92-V153 PolarHBondContact O-N 2.94Å; Y92-V155 HydrophobicContact CD2-CG2 4.19Å; Y92-V155 HydrophobicContact CE2-CG2 3.96Å
93V98.4Very high95.6Very high40 Ų4053.9 Ų53.924%0.24227%0.268CS..EExtended strand (participates in β ladder)trans-119.8115.5175.4-177.10000108.4K85 V91 T152K85-V93 HydrophobicContact CB-CB 4.46Å; K85-V93 PolarHBondContact N-O 3.32Å; K85-V93 PolarHBondContact O-N 2.9Å; V91-V93 HydrophobicContact CG1-CG2 4.27Å; V93-T152 HydrophobicContact CG2-CG2 4.39Å
94L98.4Very high95.2Very high3 Ų356.2 Ų56.22%0.01627%0.273CS..EExtended strand (participates in β ladder)trans-101.4121.3179.5-7064.1000107.6C69 V81 T83 L84 L126 K150 F151 V153C69-L94 WeakPolarHBondContact SG-CD2 3.18Å; C69-L94 VanDerWaalsContact SG-CG 3.59Å; V81-L94 HydrophobicContact CG1-CB 3.79Å; V81-L94 HydrophobicContact CG1-CG 4.2Å; V81-L94 HydrophobicContact CG2-CD2 4.25Å; T83-L94 CarbonylContact O-C 3.55Å; T83-L94 WeakPolarHBondContact O-CA 3.41Å; L84-L94 HydrophobicContact CD1-CD1 3.72Å; L84-L94 HydrophobicContact CD1-CG 4.04Å; L94-L126 HydrophobicContact CD2-CD1 4.17Å; L94-L126 HydrophobicContact CD2-CD2 4.01Å; L94-K150 CarbonylContact O-C 3.53Å; L94-K150 VanDerWaalsContact O-CA 3.26Å; L94-K150 WeakPolarHBondContact O-CA 3.24Å; L94-F151 HydrophobicContact CB-CB 4.21Å; L94-F151 PolarHBondContact N-O 3.03Å; L94-F151 PolarHBondContact O-N 3.44Å; L94-V153 HydrophobicContact CD1-CG2 3.84Å
95T98.3Very high95Very high22 Ų2254.9 Ų54.914%0.13527%0.265CS..EExtended strand (participates in β ladder)trans-105.8130.7173.3-57.70000109.7V81 D82 T83 T148 C149V81-T95 WeakPolarHBondContact CG1-O 3.48Å; D82-T95 WeakPolarHBondContact CB-O 3.42Å; D82-T95 PolarHBondContact N-O 3.2Å; T83-T95 PolarHBondContact N-O 3.41Å; T83-T95 PolarHBondContact O-N 3.12Å; T95-T148 HydrophobicContact CG2-CG2 3.55Å; T95-C149 WeakPolarHBondContact CA-O 3.48Å
96V97.1Very high94.7Very high3 Ų357.3 Ų57.32%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-120.6117.4174-176.20000108.6W73 V81 D82 F99 T148 C149 F151W73-V96 HydrophobicContact CZ2-CG1 4.29Å; W73-V96 HydrophobicContact CZ2-CG2 3.8Å; V81-V96 HydrophobicContact CG1-CG2 4.34Å; V81-V96 HydrophobicContact CG2-CG2 4.19Å; D82-V96 WeakPolarHBondContact OD2-CA 3.37Å; V96-F99 HydrophobicContact CG1-CB 4.09Å; V96-F99 HydrophobicContact CG1-CD2 3.94Å; V96-F99 HydrophobicContact CG1-CG 4.26Å; V96-T148 VanDerWaalsContact O-CA 3.3Å; V96-T148 WeakPolarHBondContact O-CA 3.24Å; V96-C149 PolarHBondContact N-O 3.41Å; V96-C149 PolarHBondContact O-N 3.25Å; V96-F151 HydrophobicContact CG2-CD2 4.48Å; V96-F151 HydrophobicContact CG2-CE2 4.3Å
97N95.7Very high94.6Very high51 Ų5157.2 Ų57.227%0.27328%0.28SS..SBendtrans-91.8155.3175.7-56.1-51.5000110.4K79 D82 F99 T148K79-N97 PolarHBondContact NZ-O 3.01Å; D82-N97 VanDerWaalsContact CB-ND2 3.32Å; D82-N97 WeakPolarHBondContact CB-ND2 3.45Å; D82-N97 VanDerWaalsContact CG-ND2 3.25Å; D82-N97 PolarHBondContact OD1-ND2 3.24Å; D82-N97 PolarHBondContact OD2-N 3.36Å; N97-F99 PolarHBondContact O-N 2.95Å; N97-T148 VanDerWaalsContact OD1-CG2 3.32Å; N97-T148 WeakPolarHBondContact OD1-CG2 3.24Å; N97-T148 PolarHBondContact OD1-OG1 3.39Å
98D93.8Very high94.5Very high63 Ų6356.2 Ų56.234%0.33727%0.274SS..SBendtrans54.238.2178-52.9-47.4000112.2V6 Q100V6-D98 HydrophobicContact CG2-CB 4.3Å; D98-Q100 PolarHBondContact O-N 2.97Å; D98-Q100 VanDerWaalsContact O-N 3.15Å
99F93.5Very high94.5Very high6 Ų651.4 Ų51.43%0.02627%0.267CS..  trans-70.8113.7-174-171.5-135000109.9W73 Y77 V96 N97 P101 L102 L103 L119 P122 P147 C149W73-F99 HydrophobicContact CH2-CE2 4.25Å; W73-F99 HydrophobicContact CH2-CZ 4.32Å; W73-F99 HydrophobicContact CZ2-CD2 4.35Å; W73-F99 AromaticContact CZ2-CE2 3.8Å; W73-F99 HydrophobicContact CZ2-CE2 3.8Å; W73-F99 HydrophobicContact CZ2-CZ 4.31Å; Y77-F99 AromaticContact CD1-CE2 3.76Å; Y77-F99 HydrophobicContact CD1-CE2 3.76Å; Y77-F99 HydrophobicContact CD1-CZ 4.44Å; Y77-F99 HydrophobicContact CD2-CE2 4.48Å; Y77-F99 AromaticContact CE1-CE2 3.68Å; Y77-F99 HydrophobicContact CE1-CE2 3.68Å; Y77-F99 AromaticContact CE1-CZ 3.89Å; Y77-F99 HydrophobicContact CE1-CZ 3.89Å; Y77-F99 HydrophobicContact CE2-CE2 4.41Å; Y77-F99 HydrophobicContact CG-CE2 4.17Å; Y77-F99 AromaticContact CZ-CZ 3.97Å; V96-F99 HydrophobicContact CG1-CB 4.09Å; V96-F99 HydrophobicContact CG1-CD2 3.94Å; V96-F99 HydrophobicContact CG1-CG 4.26Å; N97-F99 PolarHBondContact O-N 2.95Å; F99-P101 VanDerWaalsContact C-CD 3.47Å; F99-P101 VanDerWaalsContact C-N 3.34Å; F99-P101 HydrophobicContact CD1-CB 4.43Å; F99-P101 HydrophobicContact CD1-CG 4.24Å; F99-P101 HydrophobicContact CE1-CB 4.1Å; F99-P101 HydrophobicContact CE1-CG 3.73Å; F99-P101 HydrophobicContact CE2-CG 4.08Å; F99-P101 HydrophobicContact CZ-CB 4.49Å; F99-P101 HydrophobicContact CZ-CG 3.63Å; F99-P101 VanDerWaalsContact O-N 3.17Å; F99-L102 HydrophobicContact CB-CD1 4.41Å; F99-L102 HydrophobicContact CD1-CD1 4.15Å; F99-L102 HydrophobicContact CD1-CG 3.96Å; F99-L102 WeakPolarHBondContact O-CB 3.31Å; F99-L102 PolarHBondContact O-N 2.94Å; F99-L103 PolarHBondContact O-N 3.26Å; F99-L119 HydrophobicContact CD1-CD2 4.13Å; F99-L119 HydrophobicContact CE1-CD2 3.98Å; F99-P122 HydrophobicContact CE1-CG 3.97Å; F99-P122 HydrophobicContact CZ-CB 4.24Å; F99-P122 HydrophobicContact CZ-CG 3.7Å; F99-P147 PolarHBondContact N-O 2.59Å; F99-C149 VanDerWaalsContact CD1-SG 3.55Å
100Q92Very high94.5Very high29 Ų2951.1 Ų51.114%0.13627%0.266CS..G310 helixtrans-48.4-47.7-169.7-160.6-59.5-57.200113D13 D98 L102 L103D13-Q100 VanDerWaalsContact CB-OE1 3.31Å; D13-Q100 PolarHBondContact OD1-OE1 2.78Å; D98-Q100 PolarHBondContact O-N 2.97Å; D98-Q100 VanDerWaalsContact O-N 3.15Å; Q100-L102 PolarHBondContact O-N 2.97Å; Q100-L103 HydrophobicContact CG-CD1 4.38Å; Q100-L103 WeakPolarHBondContact O-CB 3.45Å; Q100-L103 PolarHBondContact O-N 2.8Å
101P91.6Very high94.5Very high20 Ų2048.9 Ų48.913%0.1326%0.255CS..G310 helixtrans-60.1-19.8-179.3-26.938000115.1F99 H118F99-P101 VanDerWaalsContact C-CD 3.47Å; F99-P101 VanDerWaalsContact C-N 3.34Å; F99-P101 HydrophobicContact CD1-CB 4.43Å; F99-P101 HydrophobicContact CD1-CG 4.24Å; F99-P101 HydrophobicContact CE1-CB 4.1Å; F99-P101 HydrophobicContact CE1-CG 3.73Å; F99-P101 HydrophobicContact CE2-CG 4.08Å; F99-P101 HydrophobicContact CZ-CB 4.49Å; F99-P101 HydrophobicContact CZ-CG 3.63Å; F99-P101 VanDerWaalsContact O-N 3.17Å; P101-H118 HydrophobicContact CB-CB 4.32Å
102L94.1Very high94.2Very high0 Ų052.9 Ų52.90%027%0.274CS..G310 helixtrans-94.8-15179.6-60.4-176.4000113.9F99 Q100 K104 F105 I115 H118 L119 C143 L146 P147 C149F99-L102 HydrophobicContact CB-CD1 4.41Å; F99-L102 HydrophobicContact CD1-CD1 4.15Å; F99-L102 HydrophobicContact CD1-CG 3.96Å; F99-L102 WeakPolarHBondContact O-CB 3.31Å; F99-L102 PolarHBondContact O-N 2.94Å; Q100-L102 PolarHBondContact O-N 2.97Å; L102-K104 PolarHBondContact O-N 2.94Å; L102-K104 VanDerWaalsContact O-N 3.08Å; L102-F105 HydrophobicContact CD2-CD2 4.04Å; L102-F105 HydrophobicContact CD2-CE2 3.99Å; L102-F105 PolarHBondContact O-N 3.28Å; L102-F105 VanDerWaalsContact O-N 3.09Å; L102-I115 HydrophobicContact CD2-CG1 4.48Å; L102-I115 HydrophobicContact CD2-CG2 4.21Å; L102-H118 HydrophobicContact CD2-CB 4.29Å; L102-L119 HydrophobicContact CD1-CD2 4.24Å; L102-L119 HydrophobicContact CD2-CD2 4.24Å; L102-L119 HydrophobicContact CG-CD2 4.47Å; L102-C143 HydrophobicContact CD1-CB 4.25Å; L102-L146 HydrophobicContact CB-CD2 4.01Å; L102-P147 HydrophobicContact CB-CB 4.18Å; L102-C149 HydrophobicContact CD1-CB 3.87Å
103L92.1Very high93.8Very high74 Ų7456 Ų5639%0.38730%0.298SS..THydrogen-bonded Turntrans-61.6-20.9-176.1-72.3173.4000113.9V6 F99 Q100 F105 P147V6-L103 HydrophobicContact CG1-CD1 3.6Å; F99-L103 PolarHBondContact O-N 3.26Å; Q100-L103 HydrophobicContact CG-CD1 4.38Å; Q100-L103 WeakPolarHBondContact O-CB 3.45Å; Q100-L103 PolarHBondContact O-N 2.8Å; L103-F105 VanDerWaalsContact C-N 3.33Å; L103-P147 HydrophobicContact CD2-CB 3.69Å; L103-P147 HydrophobicContact CD2-CG 3.68Å; L103-P147 HydrophobicContact CG-CB 4.3Å
104K90.2Very high93.5Very high103 Ų10356.7 Ų56.745%0.44830%0.299SS..THydrogen-bonded Turntrans-78.4-14.717967.8175.8-177.4175.30114.2L102 H118L102-K104 PolarHBondContact O-N 2.94Å; L102-K104 VanDerWaalsContact O-N 3.08Å; K104-H118 WeakPolarHBondContact CE-NE2 3.25Å; K104-H118 PolarHBondContact NZ-CE1 2.66Å; K104-H118 PolarHBondContact NZ-NE2 2.9Å
105F93.4Very high93.4Very high29 Ų2957 Ų5713%0.12730%0.3CS..  trans-89.6133.5-178.6-61.2-63.5000109.8L102 L103 S111 E114 I115 H118 L146L102-F105 HydrophobicContact CD2-CD2 4.04Å; L102-F105 HydrophobicContact CD2-CE2 3.99Å; L102-F105 PolarHBondContact O-N 3.28Å; L102-F105 VanDerWaalsContact O-N 3.09Å; L103-F105 VanDerWaalsContact C-N 3.33Å; F105-S111 VanDerWaalsContact CD1-CB 3.41Å; F105-S111 WeakPolarHBondContact CD1-OG 3.33Å; F105-E114 HydrophobicContact CE1-CB 3.84Å; F105-E114 HydrophobicContact CZ-CB 3.91Å; F105-I115 HydrophobicContact CD2-CG1 3.85Å; F105-I115 HydrophobicContact CE2-CG1 3.9Å; F105-I115 HydrophobicContact CG-CG1 4.28Å; F105-I115 HydrophobicContact CZ-CG1 4.32Å; F105-H118 HydrophobicContact CE2-CB 4.48Å; F105-H118 AromaticContact CE2-CG 3.96Å; F105-H118 AromaticContact CE2-ND1 3.89Å; F105-H118 AromaticContact CZ-CE1 3.65Å; F105-H118 AromaticContact CZ-ND1 3.51Å; F105-L146 HydrophobicContact CB-CD1 3.72Å; F105-L146 HydrophobicContact CB-CD2 3.92Å; F105-L146 HydrophobicContact CB-CG 4.49Å; F105-L146 HydrophobicContact CD2-CD2 4.37Å
106E92.4Very high93.2Very high187 Ų18758.5 Ų58.587%0.87431%0.31SS*.SBendtrans-92.7-29.8178.6-61.3-175.617400112
107S93.7Very high93.1Very high35 Ų3559.9 Ų59.925%0.24532%0.316CS..  trans-148.1131.9-171.6179.30000111.4P109 S111S107-P109 WeakPolarHBondContact OG-CD 3.26Å; S107-S111 WeakPolarHBondContact O-CB 3.46Å; S107-S111 PolarHBondContact O-N 3.1Å; S107-S111 PolarHBondContact O-OG 2.64Å
108I93.7Very high93Very high45 Ų4557.9 Ų57.923%0.23131%0.305CS..Hα-helixtrans-64.8-49.8178.3-66.1169.8000111.6E110 S111 I112 I115 C143 E144 L146I108-E110 PolarHBondContact O-N 3.2Å; I108-S111 CarbonylContact O-C 3.48Å; I108-S111 PolarHBondContact O-N 2.89Å; I108-I112 PolarHBondContact O-N 3.38Å; I108-I115 HydrophobicContact CB-CD1 4.43Å; I108-I115 HydrophobicContact CG1-CD1 4.18Å; I108-I115 HydrophobicContact CG2-CD1 4.34Å; I108-C143 WeakPolarHBondContact CD1-O 3.35Å; I108-E144 VanDerWaalsContact CD1-C 3.4Å; I108-E144 WeakPolarHBondContact CD1-O 3.29Å; I108-L146 HydrophobicContact CD1-CG 4.28Å; I108-L146 HydrophobicContact CG1-CD1 3.79Å; I108-L146 HydrophobicContact CG1-CG 3.68Å
109P93.7Very high93.2Very high104 Ų10455.1 Ų55.168%0.67529%0.29SS*.Hα-helixtrans-53.5-37.1179.1-29.834.5000114.5S107 S111S107-P109 WeakPolarHBondContact OG-CD 3.26Å; P109-S111 VanDerWaalsContact C-N 3.34Å
110E93.1Very high93.3Very high151 Ų15155.1 Ų55.171%0.70629%0.291SS*.Hα-helixtrans-79-20.9-179.3-65.2174.1-176.300112.8I108I108-E110 PolarHBondContact O-N 3.2Å
111S93.3Very high93.6Very high14 Ų1454.2 Ų54.210%0.09829%0.287CS..Hα-helixtrans-114.410.6-173-49.20000113.1F105 S107 I108 P109 S113 E114 I115F105-S111 VanDerWaalsContact CD1-CB 3.41Å; F105-S111 WeakPolarHBondContact CD1-OG 3.33Å; S107-S111 WeakPolarHBondContact O-CB 3.46Å; S107-S111 PolarHBondContact O-N 3.1Å; S107-S111 PolarHBondContact O-OG 2.64Å; I108-S111 CarbonylContact O-C 3.48Å; I108-S111 PolarHBondContact O-N 2.89Å; P109-S111 VanDerWaalsContact C-N 3.34Å; S111-S113 PolarHBondContact O-N 3.11Å; S111-E114 PolarHBondContact O-N 2.97Å; S111-I115 WeakPolarHBondContact O-CG1 3.45Å; S111-I115 PolarHBondContact O-N 3.39Å
112I92.5Very high93.9Very high118 Ų11853.3 Ų53.361%0.60528%0.281SS*.THydrogen-bonded Turntrans-61-29.8-171-163.7168.4000113.3I108 P116I108-I112 PolarHBondContact O-N 3.38Å; I112-P116 WeakPolarHBondContact O-CD 3.41Å; I112-P116 WeakPolarHBondContact O-CG 3.46Å
113S90Very high94.1Very high79 Ų7953.7 Ų53.755%0.55228%0.284SS*.THydrogen-bonded Turntrans-81.1-20.417554.50000113.8S111 K117S111-S113 PolarHBondContact O-N 3.11Å; S113-K117 WeakPolarHBondContact O-CE 3.25Å
114E91.9Very high94.4Very high54 Ų5450.1 Ų50.125%0.25227%0.265SS..THydrogen-bonded Turntrans-100.2-35.1-174.7-68.6-60.211400112.6F105 S111 K117 H118F105-E114 HydrophobicContact CE1-CB 3.84Å; F105-E114 HydrophobicContact CZ-CB 3.91Å; S111-E114 PolarHBondContact O-N 2.97Å; E114-K117 WeakPolarHBondContact O-CB 3.5Å; E114-K117 PolarHBondContact O-N 2.76Å; E114-K117 VanDerWaalsContact O-N 3.12Å; E114-K117 IonicContact OE1-NZ 2.71Å; E114-K117 PolarHBondContact OE1-NZ 3.3Å; E114-H118 PolarHBondContact O-N 2.77Å; E114-H118 PolarHBondContact O-ND1 2.96Å
115I95Very high94.7Very high10 Ų1045.3 Ų45.35%0.05124%0.244CC..Hα-helixtrans-54.7-48.8179.6-73.6167.7000111.8L102 F105 I108 S111 K117 H118 L119 C143 L146L102-I115 HydrophobicContact CD2-CG1 4.48Å; L102-I115 HydrophobicContact CD2-CG2 4.21Å; F105-I115 HydrophobicContact CD2-CG1 3.85Å; F105-I115 HydrophobicContact CE2-CG1 3.9Å; F105-I115 HydrophobicContact CG-CG1 4.28Å; F105-I115 HydrophobicContact CZ-CG1 4.32Å; I108-I115 HydrophobicContact CB-CD1 4.43Å; I108-I115 HydrophobicContact CG1-CD1 4.18Å; I108-I115 HydrophobicContact CG2-CD1 4.34Å; S111-I115 WeakPolarHBondContact O-CG1 3.45Å; S111-I115 PolarHBondContact O-N 3.39Å; I115-K117 PolarHBondContact O-N 3.28Å; I115-K117 VanDerWaalsContact O-N 3.17Å; I115-H118 PolarHBondContact O-N 2.77Å; I115-L119 HydrophobicContact CG2-CD1 3.98Å; I115-L119 HydrophobicContact CG2-CG 4.41Å; I115-L119 PolarHBondContact O-N 3.4Å; I115-C143 HydrophobicContact CG2-CB 3.74Å; I115-L146 HydrophobicContact CD1-CD2 4.18Å
116P94.5Very high95Very high53 Ų5343.9 Ų43.934%0.34424%0.238SC..Hα-helixtrans-56.4-34.3178.4-27.536.4000113.6I33 I112 H118 L119 A120I33-P116 HydrophobicContact CD1-CB 3.99Å; I112-P116 WeakPolarHBondContact O-CD 3.41Å; I112-P116 WeakPolarHBondContact O-CG 3.46Å; P116-H118 VanDerWaalsContact C-N 3.32Å; P116-H118 PolarHBondContact O-N 2.86Å; P116-L119 PolarHBondContact O-N 3.46Å; P116-A120 WeakPolarHBondContact O-CB 3.48Å; P116-A120 PolarHBondContact O-N 2.97Å
117K94.3Very high95.3Very high33 Ų3337.9 Ų37.914%0.14321%0.209CC..Hα-helixtrans-65.7-35.6177.2-55.5176.9-176.6172.90111.9I20 N24 I33 L36 S113 E114 I115 L119I20-K117 HydrophobicContact CG2-CB 4.09Å; I20-K117 HydrophobicContact CG2-CD 4.49Å; N24-K117 VanDerWaalsContact OD1-CD 3.31Å; N24-K117 WeakPolarHBondContact OD1-CD 3.49Å; N24-K117 WeakPolarHBondContact OD1-CE 3.4Å; N24-K117 PolarHBondContact OD1-NZ 2.77Å; I33-K117 HydrophobicContact CG1-CG 4.12Å; L36-K117 HydrophobicContact CD1-CB 4.04Å; L36-K117 WeakPolarHBondContact CD1-O 3.33Å; S113-K117 WeakPolarHBondContact O-CE 3.25Å; E114-K117 WeakPolarHBondContact O-CB 3.5Å; E114-K117 PolarHBondContact O-N 2.76Å; E114-K117 VanDerWaalsContact O-N 3.12Å; E114-K117 IonicContact OE1-NZ 2.71Å; E114-K117 PolarHBondContact OE1-NZ 3.3Å; I115-K117 PolarHBondContact O-N 3.28Å; I115-K117 VanDerWaalsContact O-N 3.17Å; K117-L119 VanDerWaalsContact C-N 3.29Å; K117-L119 PolarHBondContact O-N 2.99Å
118H94.9Very high95.5Very high9 Ų936.2 Ų36.24%0.04220%0.198CC..Hα-helixtrans-75.8-20.1177.4-66.872.7000112.8I20 P101 L102 K104 F105 E114 I115 P116 P122I20-H118 HydrophobicContact CD1-CB 4.39Å; I20-H118 VanDerWaalsContact CD1-CD2 3.41Å; I20-H118 WeakPolarHBondContact CD1-CD2 3.38Å; I20-H118 WeakPolarHBondContact CD1-NE2 3.34Å; P101-H118 HydrophobicContact CB-CB 4.32Å; L102-H118 HydrophobicContact CD2-CB 4.29Å; K104-H118 WeakPolarHBondContact CE-NE2 3.25Å; K104-H118 PolarHBondContact NZ-CE1 2.66Å; K104-H118 PolarHBondContact NZ-NE2 2.9Å; F105-H118 HydrophobicContact CE2-CB 4.48Å; F105-H118 AromaticContact CE2-CG 3.96Å; F105-H118 AromaticContact CE2-ND1 3.89Å; F105-H118 AromaticContact CZ-CE1 3.65Å; F105-H118 AromaticContact CZ-ND1 3.51Å; E114-H118 PolarHBondContact O-N 2.77Å; E114-H118 PolarHBondContact O-ND1 2.96Å; I115-H118 PolarHBondContact O-N 2.77Å; P116-H118 VanDerWaalsContact C-N 3.32Å; P116-H118 PolarHBondContact O-N 2.86Å; H118-P122 WeakPolarHBondContact O-CD 3.35Å; H118-P122 WeakPolarHBondContact O-CG 3.3Å
119L96.8Very high95.7Very high4 Ų434.1 Ų34.12%0.02119%0.187CC..Hα-helixtrans-93.3-22.1176.7-59.7-178.3000112.9F99 L102 I115 P116 K117 F121 P122 S123 A141 C143 C149 F151F99-L119 HydrophobicContact CD1-CD2 4.13Å; F99-L119 HydrophobicContact CE1-CD2 3.98Å; L102-L119 HydrophobicContact CD1-CD2 4.24Å; L102-L119 HydrophobicContact CD2-CD2 4.24Å; L102-L119 HydrophobicContact CG-CD2 4.47Å; I115-L119 HydrophobicContact CG2-CD1 3.98Å; I115-L119 HydrophobicContact CG2-CG 4.41Å; I115-L119 PolarHBondContact O-N 3.4Å; P116-L119 PolarHBondContact O-N 3.46Å; K117-L119 VanDerWaalsContact C-N 3.29Å; K117-L119 PolarHBondContact O-N 2.99Å; L119-F121 PolarHBondContact O-N 2.92Å; L119-P122 VanDerWaalsContact O-CD 3.22Å; L119-P122 WeakPolarHBondContact O-CD 3.43Å; L119-S123 PolarHBondContact O-N 2.91Å; L119-S123 PolarHBondContact O-OG 2.97Å; L119-A141 HydrophobicContact CB-CB 3.78Å; L119-A141 HydrophobicContact CD1-CB 4.01Å; L119-A141 HydrophobicContact CG-CB 4.46Å; L119-C143 HydrophobicContact CD1-CB 4.26Å; L119-C149 HydrophobicContact CD1-CB 4.35Å; L119-C149 HydrophobicContact CD2-CB 3.75Å; L119-F151 HydrophobicContact CD2-CZ 4.24Å
120A96.5Very high95.9Very high6 Ų629.2 Ų29.25%0.0516%0.155CC..Hα-helixtrans-57.8-50.7-175.600000113.8I33 L36 E37 P116 S123 G124I33-A120 HydrophobicContact CG2-CB 4Å; L36-A120 HydrophobicContact CB-CB 3.66Å; L36-A120 HydrophobicContact CD1-CB 4.43Å; E37-A120 WeakPolarHBondContact CA-O 3.19Å; P116-A120 WeakPolarHBondContact O-CB 3.48Å; P116-A120 PolarHBondContact O-N 2.97Å; A120-S123 WeakPolarHBondContact O-CB 3.24Å; A120-S123 PolarHBondContact O-N 2.8Å; A120-G124 PolarHBondContact O-N 2.86Å
121F97.5Very high96.1Very high10 Ų1024.4 Ų24.44%0.04414%0.138CC..Hα-helixtrans-61.5-50176.7176.7-81000112.2F12 M16 L36 L39 V43 L119 S123 G124 L125F12-F121 HydrophobicContact CE2-CE1 4.32Å; F12-F121 HydrophobicContact CE2-CZ 4.4Å; F12-F121 HydrophobicContact CZ-CD1 4.44Å; F12-F121 AromaticContact CZ-CE1 3.75Å; F12-F121 HydrophobicContact CZ-CE1 3.75Å; F12-F121 HydrophobicContact CZ-CZ 4.28Å; M16-F121 HydrophobicContact CE-CB 3.44Å; M16-F121 VanDerWaalsContact CE-CB 3.44Å; M16-F121 HydrophobicContact CE-CD1 3.79Å; M16-F121 HydrophobicContact CE-CD2 3.82Å; M16-F121 HydrophobicContact CE-CG 3.39Å; M16-F121 HydrophobicContact SD-CD1 4.08Å; M16-F121 HydrophobicContact SD-CD2 4.14Å; M16-F121 HydrophobicContact SD-CE1 4.25Å; M16-F121 HydrophobicContact SD-CE2 4.27Å; M16-F121 HydrophobicContact SD-CG 4.04Å; M16-F121 HydrophobicContact SD-CZ 4.33Å; L36-F121 WeakPolarHBondContact O-CA 3.28Å; L39-F121 HydrophobicContact CB-CD2 4.01Å; L39-F121 HydrophobicContact CB-CE2 4.25Å; V43-F121 HydrophobicContact CB-CE2 4.42Å; V43-F121 HydrophobicContact CB-CZ 4.27Å; V43-F121 HydrophobicContact CG1-CZ 4.22Å; V43-F121 HydrophobicContact CG2-CE2 4.18Å; V43-F121 HydrophobicContact CG2-CZ 4.35Å; L119-F121 PolarHBondContact O-N 2.92Å; F121-S123 VanDerWaalsContact C-N 3.3Å; F121-S123 PolarHBondContact O-N 3.39Å; F121-G124 PolarHBondContact O-N 3.34Å; F121-L125 HydrophobicContact CE1-CB 4.48Å; F121-L125 HydrophobicContact CE1-CD1 4.09Å; F121-L125 HydrophobicContact CZ-CD1 4.18Å; F121-L125 WeakPolarHBondContact O-CB 3.41Å; F121-L125 PolarHBondContact O-N 3.02Å
122P97.7Very high96.2Very high1 Ų126.4 Ų26.41%0.00615%0.152CC..Hα-helixtrans-55.5-39.2172.9-21.824.2000114.3W73 Y77 F99 H118 L119 L125 L126 F151W73-P122 HydrophobicContact CH2-CB 3.95Å; W73-P122 HydrophobicContact CZ3-CB 4.23Å; Y77-P122 WeakPolarHBondContact OH-CG 3.28Å; F99-P122 HydrophobicContact CE1-CG 3.97Å; F99-P122 HydrophobicContact CZ-CB 4.24Å; F99-P122 HydrophobicContact CZ-CG 3.7Å; H118-P122 WeakPolarHBondContact O-CD 3.35Å; H118-P122 WeakPolarHBondContact O-CG 3.3Å; L119-P122 VanDerWaalsContact O-CD 3.22Å; L119-P122 WeakPolarHBondContact O-CD 3.43Å; P122-L125 WeakPolarHBondContact O-CB 3.38Å; P122-L125 PolarHBondContact O-N 2.84Å; P122-L126 WeakPolarHBondContact O-CG 3.45Å; P122-L126 PolarHBondContact O-N 3.38Å; P122-F151 HydrophobicContact CB-CE1 3.86Å; P122-F151 HydrophobicContact CB-CZ 3.62Å; P122-F151 HydrophobicContact CG-CZ 4.48Å
123S98.3Very high96.3Very high8 Ų821.2 Ų21.26%0.05613%0.125CC..Hα-helixtrans-62.7-46.3175.5-59.60000111.8L119 A120 F121 L125 L126 K127 A141L119-S123 PolarHBondContact O-N 2.91Å; L119-S123 PolarHBondContact O-OG 2.97Å; A120-S123 WeakPolarHBondContact O-CB 3.24Å; A120-S123 PolarHBondContact O-N 2.8Å; F121-S123 VanDerWaalsContact C-N 3.3Å; F121-S123 PolarHBondContact O-N 3.39Å; S123-L125 VanDerWaalsContact C-N 3.3Å; S123-L125 PolarHBondContact O-N 3.25Å; S123-L126 PolarHBondContact O-N 2.96Å; S123-K127 VanDerWaalsContact O-CB 3.29Å; S123-K127 WeakPolarHBondContact O-CB 3.41Å; S123-K127 PolarHBondContact O-N 3.21Å; S123-A141 VanDerWaalsContact OG-CB 3.24Å; S123-A141 WeakPolarHBondContact OG-CB 3.39Å
124G98.4Very high96.5Very high0 Ų018.1 Ų18.10%011%0.106CC..Hα-helixtrans-61.4-40.2174.900000112.2E37 G40 V41 A120 F121 K127 G128E37-G124 WeakPolarHBondContact O-CA 3.31Å; G40-G124 VanDerWaalsContact C-C 3.42Å; G40-G124 CarbonylContact C-O 3.36Å; V41-G124 WeakPolarHBondContact CA-O 3.5Å; V41-G124 VanDerWaalsContact CG2-O 3.31Å; V41-G124 WeakPolarHBondContact CG2-O 3.34Å; V41-G124 PolarHBondContact N-O 2.89Å; A120-G124 PolarHBondContact O-N 2.86Å; F121-G124 PolarHBondContact O-N 3.34Å; G124-K127 PolarHBondContact O-N 3.21Å; G124-G128 PolarHBondContact O-N 3.41Å
125L98.3Very high96.7Very high1 Ų115.6 Ų15.61%0.0059%0.094CC..Hα-helixtrans-62.1-46.6178.5-167.285.2000111.6G40 V43 S44 L47 F72 V76 Y77 F121 P122 S123 A129G40-L125 WeakPolarHBondContact O-CA 3.48Å; V43-L125 HydrophobicContact CB-CD1 4.44Å; V43-L125 HydrophobicContact CG1-CD1 4.02Å; S44-L125 WeakPolarHBondContact CB-O 3.48Å; S44-L125 PolarHBondContact OG-O 3.01Å; L47-L125 HydrophobicContact CD1-CD1 4.44Å; F72-L125 HydrophobicContact CE1-CD2 4.02Å; F72-L125 HydrophobicContact CE1-CG 3.8Å; F72-L125 HydrophobicContact CZ-CD1 4.18Å; F72-L125 HydrophobicContact CZ-CD2 4.37Å; F72-L125 HydrophobicContact CZ-CG 3.93Å; V76-L125 HydrophobicContact CB-CD2 4.29Å; V76-L125 HydrophobicContact CG1-CD2 4.03Å; V76-L125 HydrophobicContact CG2-CD2 4.13Å; Y77-L125 HydrophobicContact CE2-CD2 4.02Å; F121-L125 HydrophobicContact CE1-CB 4.48Å; F121-L125 HydrophobicContact CE1-CD1 4.09Å; F121-L125 HydrophobicContact CZ-CD1 4.18Å; F121-L125 WeakPolarHBondContact O-CB 3.41Å; F121-L125 PolarHBondContact O-N 3.02Å; P122-L125 WeakPolarHBondContact O-CB 3.38Å; P122-L125 PolarHBondContact O-N 2.84Å; S123-L125 VanDerWaalsContact C-N 3.3Å; S123-L125 PolarHBondContact O-N 3.25Å; L125-A129 WeakPolarHBondContact O-CB 3.49Å; L125-A129 PolarHBondContact O-N 3.16Å; L125-A129 VanDerWaalsContact O-N 3.17Å
126L98.6Very high96.8Very high0 Ų018.7 Ų18.70%011%0.11CC..Hα-helixtrans-63.1-48.9174.7-74169.1000111.4V68 W73 L94 P122 S123 A129 L130 V139 F151V68-L126 HydrophobicContact CG1-CD2 3.66Å; W73-L126 HydrophobicContact CE3-CD1 4.36Å; W73-L126 HydrophobicContact CE3-CD2 3.68Å; W73-L126 HydrophobicContact CE3-CG 4Å; W73-L126 HydrophobicContact CZ3-CD1 3.81Å; W73-L126 HydrophobicContact CZ3-CD2 3.96Å; W73-L126 HydrophobicContact CZ3-CG 3.74Å; L94-L126 HydrophobicContact CD2-CD1 4.17Å; L94-L126 HydrophobicContact CD2-CD2 4.01Å; P122-L126 WeakPolarHBondContact O-CG 3.45Å; P122-L126 PolarHBondContact O-N 3.38Å; S123-L126 PolarHBondContact O-N 2.96Å; L126-A129 PolarHBondContact O-N 3.38Å; L126-L130 WeakPolarHBondContact O-CB 3.39Å; L126-L130 WeakPolarHBondContact O-CD1 3.37Å; L126-L130 VanDerWaalsContact O-CG 3.25Å; L126-L130 WeakPolarHBondContact O-CG 3.43Å; L126-L130 PolarHBondContact O-N 2.77Å; L126-V139 HydrophobicContact CB-CG1 4.47Å; L126-V139 HydrophobicContact CB-CG2 4.42Å; L126-V139 HydrophobicContact CD1-CG1 4.44Å; L126-F151 HydrophobicContact CD1-CB 3.73Å; L126-F151 HydrophobicContact CD1-CD1 3.77Å; L126-F151 HydrophobicContact CD1-CD2 3.85Å; L126-F151 HydrophobicContact CD1-CE1 4.36Å; L126-F151 HydrophobicContact CD1-CE2 4.41Å; L126-F151 HydrophobicContact CD1-CG 3.5Å; L126-F151 VanDerWaalsContact CD1-CG 3.5Å
127K98.5Very high96.9Very high60 Ų6016.2 Ų16.226%0.26110%0.095SC..Hα-helixtrans-58.5-51.1-178.9179.8175.9169.1-177.40111.8E37 V41 S123 G124 L130 C131 V139E37-K127 WeakPolarHBondContact OE1-CD 3.3Å; E37-K127 IonicContact OE1-NZ 2.77Å; E37-K127 PolarHBondContact OE1-NZ 3.14Å; V41-K127 HydrophobicContact CG2-CD 4.47Å; S123-K127 VanDerWaalsContact O-CB 3.29Å; S123-K127 WeakPolarHBondContact O-CB 3.41Å; S123-K127 PolarHBondContact O-N 3.21Å; G124-K127 PolarHBondContact O-N 3.21Å; K127-L130 PolarHBondContact O-N 2.87Å; K127-C131 VanDerWaalsContact O-CB 3.31Å; K127-C131 WeakPolarHBondContact O-CB 3.44Å; K127-C131 PolarHBondContact O-N 2.86Å; K127-C131 PolarHBondContact O-SG 3.06Å; K127-V139 HydrophobicContact CB-CB 4.35Å; K127-V139 HydrophobicContact CB-CG2 3.7Å; K127-V139 HydrophobicContact CG-CG2 4.43Å
128G98.1Very high97.1Very high1 Ų117.9 Ų17.91%0.0111%0.108CC..Hα-helixtrans-67.9-36-177.600000112.6S44 G124 S132S44-G128 WeakPolarHBondContact OG-CA 3.4Å; G124-G128 PolarHBondContact O-N 3.41Å; G128-S132 VanDerWaalsContact O-CB 3.29Å; G128-S132 WeakPolarHBondContact O-CB 3.42Å; G128-S132 PolarHBondContact O-N 2.92Å; G128-S132 PolarHBondContact O-OG 3.3Å
129A98.2Very high97.3Very high0 Ų018.3 Ų18.30%011%0.11CC..Hα-helixtrans-62-49.2173.200000111.9S44 I48 V68 F72 L125 L126 S132 L133S44-A129 PolarHBondContact OG-N 2.96Å; S44-A129 VanDerWaalsContact OG-N 3.14Å; I48-A129 HydrophobicContact CB-CB 4.39Å; I48-A129 HydrophobicContact CD1-CB 4.23Å; I48-A129 HydrophobicContact CG1-CB 4.29Å; V68-A129 HydrophobicContact CG2-CB 4.3Å; F72-A129 HydrophobicContact CD1-CB 3.85Å; F72-A129 HydrophobicContact CE1-CB 3.48Å; F72-A129 VanDerWaalsContact CE1-CB 3.48Å; F72-A129 HydrophobicContact CE2-CB 4.29Å; F72-A129 HydrophobicContact CG-CB 4.4Å; F72-A129 HydrophobicContact CZ-CB 3.74Å; L125-A129 WeakPolarHBondContact O-CB 3.49Å; L125-A129 PolarHBondContact O-N 3.16Å; L125-A129 VanDerWaalsContact O-N 3.17Å; L126-A129 PolarHBondContact O-N 3.38Å; A129-S132 PolarHBondContact O-N 3.15Å; A129-L133 WeakPolarHBondContact O-CG 3.45Å; A129-L133 PolarHBondContact O-N 2.87Å
130L97.7Very high97.3Very high2 Ų221 Ų211%0.0113%0.133CC..Hα-helixtrans-62.5-46.7178.3-69.3166.2000111.7I64 V65 V68 L126 K127 S132 L133 G134 L135 V153I64-L130 HydrophobicContact CG2-CD2 4.12Å; V65-L130 HydrophobicContact CG2-CD2 4.1Å; V68-L130 HydrophobicContact CB-CD2 4.15Å; V68-L130 HydrophobicContact CG1-CD2 4.35Å; V68-L130 HydrophobicContact CG1-CG 4.36Å; V68-L130 HydrophobicContact CG2-CD2 3.84Å; V68-L130 HydrophobicContact CG2-CG 4.31Å; L126-L130 WeakPolarHBondContact O-CB 3.39Å; L126-L130 WeakPolarHBondContact O-CD1 3.37Å; L126-L130 VanDerWaalsContact O-CG 3.25Å; L126-L130 WeakPolarHBondContact O-CG 3.43Å; L126-L130 PolarHBondContact O-N 2.77Å; K127-L130 PolarHBondContact O-N 2.87Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 2.75Å; L130-L133 CarbonylContact O-C 3.6Å; L130-L133 PolarHBondContact O-N 3.46Å; L130-L133 VanDerWaalsContact O-N 3.12Å; L130-G134 PolarHBondContact O-N 3.07Å; L130-L135 CarbonylContact C-O 3.56Å; L130-L135 HydrophobicContact CB-CB 4.24Å; L130-L135 HydrophobicContact CD2-CD1 3.96Å; L130-L135 WeakPolarHBondContact O-CB 3.39Å; L130-L135 PolarHBondContact O-N 3.25Å; L130-V153 HydrophobicContact CD1-CG1 3.69Å; L130-V153 HydrophobicContact CD1-CG2 4.01Å
131C96.8Very high97.4Very high50 Ų5022.5 Ų22.534%0.33815%0.146SC..Hα-helixtrans-60.2-41.2177-75.50000112.3K127 L133 G134 L135K127-C131 VanDerWaalsContact O-CB 3.31Å; K127-C131 WeakPolarHBondContact O-CB 3.44Å; K127-C131 PolarHBondContact O-N 2.86Å; K127-C131 PolarHBondContact O-SG 3.06Å; C131-L133 PolarHBondContact O-N 2.83Å; C131-G134 PolarHBondContact O-N 3.21Å; C131-L135 VanDerWaalsContact CA-O 3.24Å; C131-L135 WeakPolarHBondContact CA-O 3.44Å; C131-L135 PolarHBondContact N-O 3.14Å; C131-L135 PolarHBondContact SG-O 3.06Å
132S95.5Very high97.3Very high56 Ų5624.4 Ų24.439%0.39216%0.157SC..Hα-helixtrans-63.7-29177.4-60.90000112.6G128 A129 L130 G134G128-S132 VanDerWaalsContact O-CB 3.29Å; G128-S132 WeakPolarHBondContact O-CB 3.42Å; G128-S132 PolarHBondContact O-N 2.92Å; G128-S132 PolarHBondContact O-OG 3.3Å; A129-S132 PolarHBondContact O-N 3.15Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 2.75Å; S132-G134 VanDerWaalsContact C-N 3.3Å
133L95.6Very high97.2Very high8 Ų825.1 Ų25.14%0.04216%0.161CC..THydrogen-bonded Turntrans-899.5175.2-61.3-177.6000113.4I48 T52 F58 I64 Y67 V68 A129 L130 C131 I161I48-L133 HydrophobicContact CD1-CD1 4Å; I48-L133 HydrophobicContact CD1-CG 4.49Å; I48-L133 HydrophobicContact CG1-CD1 3.95Å; I48-L133 HydrophobicContact CG1-CD2 4Å; I48-L133 HydrophobicContact CG1-CG 3.89Å; T52-L133 HydrophobicContact CG2-CD2 3.98Å; F58-L133 HydrophobicContact CD2-CD2 4.47Å; F58-L133 HydrophobicContact CE2-CD1 3.87Å; F58-L133 HydrophobicContact CE2-CD2 3.81Å; F58-L133 HydrophobicContact CE2-CG 4.38Å; F58-L133 HydrophobicContact CZ-CD1 4.07Å; I64-L133 HydrophobicContact CD1-CB 4.44Å; I64-L133 WeakPolarHBondContact CD1-O 3.37Å; I64-L133 HydrophobicContact CG1-CB 4.48Å; I64-L133 HydrophobicContact CG2-CB 3.63Å; I64-L133 HydrophobicContact CG2-CD1 3.72Å; I64-L133 HydrophobicContact CG2-CG 4.33Å; Y67-L133 HydrophobicContact CD1-CD1 4.42Å; V68-L133 HydrophobicContact CG2-CD1 4.18Å; A129-L133 WeakPolarHBondContact O-CG 3.45Å; A129-L133 PolarHBondContact O-N 2.87Å; L130-L133 CarbonylContact O-C 3.6Å; L130-L133 PolarHBondContact O-N 3.46Å; L130-L133 VanDerWaalsContact O-N 3.12Å; C131-L133 PolarHBondContact O-N 2.83Å; L133-I161 VanDerWaalsContact O-CD1 3.3Å; L133-I161 WeakPolarHBondContact O-CD1 3.46Å
134G94.2Very high97Very high15 Ų1531.3 Ų31.316%0.15519%0.189CC..THydrogen-bonded Turntrans93.15.4174.100000115.2L130 C131 S132 R159L130-G134 PolarHBondContact O-N 3.07Å; C131-G134 PolarHBondContact O-N 3.21Å; S132-G134 VanDerWaalsContact C-N 3.3Å; G134-R159 PolarHBondContact O-N 3.09Å
135L95.3Very high96.8Very high1 Ų138.1 Ų38.11%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-96.698.2173.8-68.5177.6000111.1E61 I64 V65 L130 C131 C137 V155 Y158E61-L135 HydrophobicContact CB-CD2 3.89Å; E61-L135 HydrophobicContact CG-CD1 3.93Å; E61-L135 HydrophobicContact CG-CD2 3.48Å; E61-L135 VanDerWaalsContact CG-CD2 3.48Å; E61-L135 HydrophobicContact CG-CG 4.38Å; I64-L135 HydrophobicContact CB-CD1 3.76Å; I64-L135 HydrophobicContact CB-CG 4.49Å; I64-L135 HydrophobicContact CD1-CD1 4.19Å; I64-L135 HydrophobicContact CD1-CG 4.02Å; I64-L135 HydrophobicContact CG2-CD1 3.48Å; I64-L135 VanDerWaalsContact CG2-CD1 3.48Å; I64-L135 HydrophobicContact CG2-CG 4.14Å; V65-L135 HydrophobicContact CG2-CD1 3.87Å; L130-L135 CarbonylContact C-O 3.56Å; L130-L135 HydrophobicContact CB-CB 4.24Å; L130-L135 HydrophobicContact CD2-CD1 3.96Å; L130-L135 WeakPolarHBondContact O-CB 3.39Å; L130-L135 PolarHBondContact O-N 3.25Å; C131-L135 VanDerWaalsContact CA-O 3.24Å; C131-L135 WeakPolarHBondContact CA-O 3.44Å; C131-L135 PolarHBondContact N-O 3.14Å; C131-L135 PolarHBondContact SG-O 3.06Å; L135-C137 PolarHBondContact O-N 3.13Å; L135-V155 HydrophobicContact CD2-CG1 4.28Å; L135-Y158 HydrophobicContact CD2-CD2 3.27Å; L135-Y158 HydrophobicContact CD2-CE2 4Å; L135-Y158 HydrophobicContact CD2-CG 3.78Å; L135-Y158 HydrophobicContact CG-CD2 4.12Å
136N96.3Very high96.6Very high74 Ų7439.8 Ų39.840%0.39623%0.23SC..EExtended strand (participates in β ladder)trans-71.2115.1171.9-178.525000109.1L156 S157N136-L156 PolarHBondContact O-N 2.96Å; N136-S157 WeakPolarHBondContact CB-O 3.32Å; N136-S157 WeakPolarHBondContact CB-OG 3.44Å; N136-S157 PolarHBondContact N-O 3.34Å; N136-S157 PolarHBondContact ND2-OG 2.95Å; N136-S157 PolarHBondContact O-N 3.3Å
137C97.8Very high96.4Very high2 Ų241.2 Ų41.21%0.01424%0.239CC..EExtended strand (participates in β ladder)trans-145.3163.6-174.764.50000113.1L135 V153 T154 V155L135-C137 PolarHBondContact O-N 3.13Å; C137-V153 HydrophobicContact CB-CG1 3.82Å; C137-T154 CarbonylContact C-O 3.52Å; C137-T154 WeakPolarHBondContact CA-O 3.26Å; C137-T154 VanDerWaalsContact CB-O 3.28Å; C137-T154 WeakPolarHBondContact CB-O 3.5Å; C137-V155 HydrophobicContact CB-CG2 4.5Å
138V97.8Very high96.3Very high68 Ų6839.7 Ų39.741%0.41224%0.235SC..EExtended strand (participates in β ladder)trans-108.1148.5162.2-64.20000109.6V153 T154 L156V138-V153 CarbonylContact O-C 3.57Å; V138-V153 WeakPolarHBondContact O-CA 3.26Å; V138-T154 PolarHBondContact N-O 2.88Å; V138-T154 PolarHBondContact O-N 2.83Å; V138-L156 HydrophobicContact CG1-CD1 4.16Å
139V98.5Very high96.2Very high17 Ų1739.7 Ų39.710%0.10323%0.234CC..EExtended strand (participates in β ladder)trans-124.9113.1178.2-176.60000108.1L126 K127 F151 T152 V153L126-V139 HydrophobicContact CB-CG1 4.47Å; L126-V139 HydrophobicContact CB-CG2 4.42Å; L126-V139 HydrophobicContact CD1-CG1 4.44Å; K127-V139 HydrophobicContact CB-CB 4.35Å; K127-V139 HydrophobicContact CB-CG2 3.7Å; K127-V139 HydrophobicContact CG-CG2 4.43Å; V139-F151 HydrophobicContact CG1-CB 4.13Å; V139-F151 HydrophobicContact CG1-CD1 4.14Å; V139-T152 WeakPolarHBondContact CA-O 3.28Å; V139-V153 HydrophobicContact CG2-CG2 4.12Å
140A97.9Very high96.2Very high60 Ų6042.6 Ų42.650%0.49625%0.247SC..EExtended strand (participates in β ladder)trans-97.2143.3169.500000109.1F151 T152A140-F151 CarbonylContact O-C 3.52Å; A140-F151 WeakPolarHBondContact O-CA 3.5Å; A140-T152 PolarHBondContact N-O 3.38Å; A140-T152 PolarHBondContact O-N 3.18Å
141A97.9Very high96.3Very high38 Ų3842.6 Ų42.631%0.31425%0.247SC..EExtended strand (participates in β ladder)trans-126141177.600000111.7L119 S123 K150 F151L119-A141 HydrophobicContact CB-CB 3.78Å; L119-A141 HydrophobicContact CD1-CB 4.01Å; L119-A141 HydrophobicContact CG-CB 4.46Å; S123-A141 VanDerWaalsContact OG-CB 3.24Å; S123-A141 WeakPolarHBondContact OG-CB 3.39Å; A141-K150 VanDerWaalsContact CA-O 3.29Å; A141-K150 WeakPolarHBondContact CA-O 3.32Å; A141-F151 HydrophobicContact CB-CD1 3.58Å; A141-F151 HydrophobicContact CB-CE1 3.64Å
142D95.6Very high96.4Very high51 Ų5142 Ų4227%0.27324%0.242SC..EExtended strand (participates in β ladder)trans-141.4163.6176.967.474.8000111.3C149 K150D142-C149 WeakPolarHBondContact O-CA 3.44Å; D142-C149 WeakPolarHBondContact O-CB 3.47Å; D142-K150 PolarHBondContact N-O 3.48Å; D142-K150 PolarHBondContact O-N 2.91Å
143C96.6Very high96.5Very high15 Ų1539.3 Ų39.310%0.10122%0.223CC..EExtended strand (participates in β ladder)trans-14294.8174.7170.80000108.1L102 I108 I115 L119 T148L102-C143 HydrophobicContact CD1-CB 4.25Å; I108-C143 WeakPolarHBondContact CD1-O 3.35Å; I115-C143 HydrophobicContact CG2-CB 3.74Å; L119-C143 HydrophobicContact CD1-CB 4.26Å; C143-T148 PolarHBondContact SG-O 2.75Å; C143-T148 VanDerWaalsContact SG-O 3.4Å
144E92.9Very high96.6Very high139 Ų13940.9 Ų40.965%0.6523%0.233SC*.EExtended strand (participates in β ladder)trans-81.3-23.6176.2-67.6174.317300112.8I108 K150I108-E144 VanDerWaalsContact CD1-C 3.4Å; I108-E144 WeakPolarHBondContact CD1-O 3.29Å; E144-K150 IonicContact OE1-NZ 3.73Å; E144-K150 IonicContact OE2-NZ 2.66Å; E144-K150 PolarHBondContact OE2-NZ 2.67Å
145Q94.1Very high96.8Very high143 Ų14340.8 Ų40.867%0.66823%0.229SC*.EExtended strand (participates in β ladder)trans-146.1117.6-178.6179.8179.5-8.900109.8T148Q145-T148 CarbonylContact O-C 3.56Å; Q145-T148 WeakPolarHBondContact O-CA 2.93Å; Q145-T148 WeakPolarHBondContact O-CB 3.22Å; Q145-T148 PolarHBondContact O-N 2.98Å
146L95.1Very high96.8Very high35 Ų3545.7 Ų45.718%0.18326%0.255CS..THydrogen-bonded Turntrans-67.2145174.9-70.3165.1000111.1L102 F105 I108 I115L102-L146 HydrophobicContact CB-CD2 4.01Å; F105-L146 HydrophobicContact CB-CD1 3.72Å; F105-L146 HydrophobicContact CB-CD2 3.92Å; F105-L146 HydrophobicContact CB-CG 4.49Å; F105-L146 HydrophobicContact CD2-CD2 4.37Å; I108-L146 HydrophobicContact CD1-CG 4.28Å; I108-L146 HydrophobicContact CG1-CD1 3.79Å; I108-L146 HydrophobicContact CG1-CG 3.68Å; I115-L146 HydrophobicContact CD1-CD2 4.18Å
147P94.5Very high96.6Very high30 Ų3044.6 Ų44.620%0.19525%0.253CS..THydrogen-bonded Turncis-93.837.2-8.939.4-39.2000113F99 L102 L103F99-P147 PolarHBondContact N-O 2.59Å; L102-P147 HydrophobicContact CB-CB 4.18Å; L103-P147 HydrophobicContact CD2-CB 3.69Å; L103-P147 HydrophobicContact CD2-CG 3.68Å; L103-P147 HydrophobicContact CG-CB 4.3Å
148T96.1Very high96Very high29 Ų2948.3 Ų48.318%0.17827%0.267CS..EExtended strand (participates in β ladder)trans-97.5130-179.6-65.90000111.2T95 V96 N97 C143 Q145T95-T148 HydrophobicContact CG2-CG2 3.55Å; V96-T148 VanDerWaalsContact O-CA 3.3Å; V96-T148 WeakPolarHBondContact O-CA 3.24Å; N97-T148 VanDerWaalsContact OD1-CG2 3.32Å; N97-T148 WeakPolarHBondContact OD1-CG2 3.24Å; N97-T148 PolarHBondContact OD1-OG1 3.39Å; C143-T148 PolarHBondContact SG-O 2.75Å; C143-T148 VanDerWaalsContact SG-O 3.4Å; Q145-T148 CarbonylContact O-C 3.56Å; Q145-T148 WeakPolarHBondContact O-CA 2.93Å; Q145-T148 WeakPolarHBondContact O-CB 3.22Å; Q145-T148 PolarHBondContact O-N 2.98Å
149C97.1Very high95.1Very high0 Ų054.5 Ų54.50%028%0.283CS..EExtended strand (participates in β ladder)trans-115157.9171.4610000112.3T95 V96 F99 L102 L119 D142 F151T95-C149 WeakPolarHBondContact CA-O 3.48Å; V96-C149 PolarHBondContact N-O 3.41Å; V96-C149 PolarHBondContact O-N 3.25Å; F99-C149 VanDerWaalsContact CD1-SG 3.55Å; L102-C149 HydrophobicContact CD1-CB 3.87Å; L119-C149 HydrophobicContact CD1-CB 4.35Å; L119-C149 HydrophobicContact CD2-CB 3.75Å; D142-C149 WeakPolarHBondContact O-CA 3.44Å; D142-C149 WeakPolarHBondContact O-CB 3.47Å; C149-F151 WeakPolarHBondContact SG-CE2 3.45Å
150K98.1Very high93.4Very high62 Ų6255.8 Ų55.827%0.2730%0.301SS..EExtended strand (participates in β ladder)trans-121.4136.8172-62.3172.9-174.8164.70109.3L94 A141 D142 E144L94-K150 CarbonylContact O-C 3.53Å; L94-K150 VanDerWaalsContact O-CA 3.26Å; L94-K150 WeakPolarHBondContact O-CA 3.24Å; A141-K150 VanDerWaalsContact CA-O 3.29Å; A141-K150 WeakPolarHBondContact CA-O 3.32Å; D142-K150 PolarHBondContact N-O 3.48Å; D142-K150 PolarHBondContact O-N 2.91Å; E144-K150 IonicContact OE1-NZ 3.73Å; E144-K150 IonicContact OE2-NZ 2.66Å; E144-K150 PolarHBondContact OE2-NZ 2.67Å
151F98.6Very high91.4Very high1 Ų156.9 Ų56.90%0.00430%0.297CS..EExtended strand (participates in β ladder)trans-113.9116.5168.5-58.4-86000108.6W73 L94 V96 L119 P122 L126 V139 A140 A141 C149W73-F151 HydrophobicContact CH2-CD2 4.47Å; W73-F151 AromaticContact CH2-CE2 3.69Å; W73-F151 HydrophobicContact CH2-CE2 3.69Å; W73-F151 AromaticContact CH2-CZ 4Å; W73-F151 HydrophobicContact CH2-CZ 4Å; W73-F151 HydrophobicContact CZ2-CE2 4.34Å; W73-F151 HydrophobicContact CZ3-CE2 4.41Å; L94-F151 HydrophobicContact CB-CB 4.21Å; L94-F151 PolarHBondContact N-O 3.03Å; L94-F151 PolarHBondContact O-N 3.44Å; V96-F151 HydrophobicContact CG2-CD2 4.48Å; V96-F151 HydrophobicContact CG2-CE2 4.3Å; L119-F151 HydrophobicContact CD2-CZ 4.24Å; P122-F151 HydrophobicContact CB-CE1 3.86Å; P122-F151 HydrophobicContact CB-CZ 3.62Å; P122-F151 HydrophobicContact CG-CZ 4.48Å; L126-F151 HydrophobicContact CD1-CB 3.73Å; L126-F151 HydrophobicContact CD1-CD1 3.77Å; L126-F151 HydrophobicContact CD1-CD2 3.85Å; L126-F151 HydrophobicContact CD1-CE1 4.36Å; L126-F151 HydrophobicContact CD1-CE2 4.41Å; L126-F151 HydrophobicContact CD1-CG 3.5Å; L126-F151 VanDerWaalsContact CD1-CG 3.5Å; V139-F151 HydrophobicContact CG1-CB 4.13Å; V139-F151 HydrophobicContact CG1-CD1 4.14Å; A140-F151 CarbonylContact O-C 3.52Å; A140-F151 WeakPolarHBondContact O-CA 3.5Å; A141-F151 HydrophobicContact CB-CD1 3.58Å; A141-F151 HydrophobicContact CB-CE1 3.64Å; C149-F151 WeakPolarHBondContact SG-CE2 3.45Å
152T98.5Very high88.5Confident37 Ų3762 Ų6223%0.22733%0.33CS..EExtended strand (participates in β ladder)trans-96.5108.9174.7-59.40000108.6V91 Y92 V93 V139 A140V91-T152 HydrophobicContact CG1-CG2 3.83Å; Y92-T152 CarbonylContact O-C 3.55Å; Y92-T152 WeakPolarHBondContact O-CA 3.38Å; V93-T152 HydrophobicContact CG2-CG2 4.39Å; V139-T152 WeakPolarHBondContact CA-O 3.28Å; A140-T152 PolarHBondContact N-O 3.38Å; A140-T152 PolarHBondContact O-N 3.18Å
153V98.5Very high88.1Confident1 Ų162.5 Ų62.51%0.00633%0.333CS..EExtended strand (participates in β ladder)trans-92.5121175.3-178.80000107.9V91 Y92 L94 L130 C137 V138 V139 V155V91-V153 WeakPolarHBondContact CA-O 3.38Å; Y92-V153 PolarHBondContact N-O 2.92Å; Y92-V153 PolarHBondContact O-N 2.94Å; L94-V153 HydrophobicContact CD1-CG2 3.84Å; L130-V153 HydrophobicContact CD1-CG1 3.69Å; L130-V153 HydrophobicContact CD1-CG2 4.01Å; C137-V153 HydrophobicContact CB-CG1 3.82Å; V138-V153 CarbonylContact O-C 3.57Å; V138-V153 WeakPolarHBondContact O-CA 3.26Å; V139-V153 HydrophobicContact CG2-CG2 4.12Å; V153-V155 HydrophobicContact CG1-CG2 4.46Å
154T98.1Very high87.7Confident40 Ų4065 Ų6525%0.24535%0.345CS..EExtended strand (participates in β ladder)trans-111.2115.8171.5-52.50000109.2D90 V91 C137 V138D90-T154 CarbonylContact O-C 3.55Å; D90-T154 WeakPolarHBondContact O-CA 3.2Å; V91-T154 HydrophobicContact CG2-CG2 4.28Å; C137-T154 CarbonylContact C-O 3.52Å; C137-T154 WeakPolarHBondContact CA-O 3.26Å; C137-T154 VanDerWaalsContact CB-O 3.28Å; C137-T154 WeakPolarHBondContact CB-O 3.5Å; V138-T154 PolarHBondContact N-O 2.88Å; V138-T154 PolarHBondContact O-N 2.83Å
155V97Very high87.4Confident13 Ų1360.9 Ų60.98%0.07933%0.329CS..EExtended strand (participates in β ladder)trans-81123.1-179.3-178.40000109.2E61 D90 Y92 L135 C137 V153E61-V155 WeakPolarHBondContact OE1-CG2 3.28Å; D90-V155 PolarHBondContact O-N 3.45Å; Y92-V155 HydrophobicContact CD2-CG2 4.19Å; Y92-V155 HydrophobicContact CE2-CG2 3.96Å; L135-V155 HydrophobicContact CD2-CG1 4.28Å; C137-V155 HydrophobicContact CB-CG2 4.5Å; V153-V155 HydrophobicContact CG1-CG2 4.46Å
156L95.8Very high87Confident105 Ų10556.1 Ų56.155%0.5531%0.309SS..EExtended strand (participates in β ladder)trans-92.8-33.9179.2-56.3-179.2000111.7N136 V138N136-L156 PolarHBondContact O-N 2.96Å; V138-L156 HydrophobicContact CG1-CD1 4.16Å
157S91.4Very high86.5Confident50 Ų5057.4 Ų57.435%0.3532%0.316SS..EExtended strand (participates in β ladder)trans-165.6140.7174.264.60000111.1N136N136-S157 WeakPolarHBondContact CB-O 3.32Å; N136-S157 WeakPolarHBondContact CB-OG 3.44Å; N136-S157 PolarHBondContact N-O 3.34Å; N136-S157 PolarHBondContact ND2-OG 2.95Å; N136-S157 PolarHBondContact O-N 3.3Å
158Y86.8Confident85.9Confident80 Ų8059.2 Ų59.231%0.31433%0.325SS..EExtended strand (participates in β ladder)trans-100.1116.9168.9176.9-137.8000110.5E61 I64 L135 G160E61-Y158 HydrophobicContact CB-CD1 4.46Å; I64-Y158 HydrophobicContact CD1-CD2 4.49Å; I64-Y158 HydrophobicContact CD1-CE2 3.59Å; L135-Y158 HydrophobicContact CD2-CD2 3.27Å; L135-Y158 HydrophobicContact CD2-CE2 4Å; L135-Y158 HydrophobicContact CD2-CG 3.78Å; L135-Y158 HydrophobicContact CG-CD2 4.12Å; Y158-G160 PolarHBondContact O-N 2.98Å
159R79.2Confident85.2Confident198 Ų19861.4 Ų61.475%0.74734%0.335SS*.  trans-88.5100.4164.6-66.1-176.5-176.2179.32.4106.2G134 I161G134-R159 PolarHBondContact O-N 3.09Å; R159-I161 PolarHBondContact O-N 3.32Å
160G60.8Low84.3Confident45 Ų4566.1 Ų66.146%0.46436%0.361SS..  trans-51.9113.4168.300000108Y158 S162Y158-G160 PolarHBondContact O-N 2.98Å; G160-S162 PolarHBondContact O-N 3Å
161I56.1Low83.1Confident82 Ų8266.4 Ų66.442%0.42137%0.368SS..  trans-59.2106.7171.3-60172.5000104R57 L133 R159R57-I161 PolarHBondContact NE-O 3.49Å; R57-I161 PolarHBondContact NH2-O 3.2Å; L133-I161 VanDerWaalsContact O-CD1 3.3Å; L133-I161 WeakPolarHBondContact O-CD1 3.46Å; R159-I161 PolarHBondContact O-N 3.32Å
162S36.9Very low81.7Confident145 Ų14572.4 Ų72.4100%1.01440%0.401SS*.  trans-74.60-175.658.30000112.6R57 G160R57-S162 VanDerWaalsContact CZ-C 3.46Å; R57-S162 PolarHBondContact NH1-OXT 3.26Å; R57-S162 VanDerWaalsContact NH2-CA 3.26Å; R57-S162 PolarHBondContact NH2-OXT 2.56Å; G160-S162 PolarHBondContact O-N 3Å

Retrieved 162 of 162 residues in 224.9 ms (Link to these results)

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