A0A3Q0KTW3_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KTW3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 165 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.8Very low54.9Low245 Ų245121 Ų121100%1.20766%0.663SS**  094.40-81174.9117.800107
2A45.5Very low56.3Low76 Ų76115.4 Ų115.463%0.62863%0.631SS**  trans-75.9138.8165.700000107.8
3Q46.9Very low58.1Low149 Ų149110.3 Ų110.370%0.69661%0.609SS**  trans-76.2132.7177.2-69.2-178.22.600108.6G5 T6Q3-G5 PolarHBondContact O-N 3.36Å; Q3-T6 PolarHBondContact O-N 3.2Å; Q3-T6 PolarHBondContact O-OG1 2.88Å
4P52.2Low60.4Low126 Ų126108.8 Ų108.882%0.81860%0.6SS**THydrogen-bonded Turntrans-66.20.2-17423.6-32.1000115.3
5G54.8Low62.4Low52 Ų52103.5 Ų103.554%0.53657%0.57SS.*THydrogen-bonded Turntrans-97.9-14.9178.800000115.3Q3 N9Q3-G5 PolarHBondContact O-N 3.36Å; G5-N9 WeakPolarHBondContact O-CB 3.36Å
6T58.2Low64.4Low67 Ų67101.8 Ų101.841%0.41156%0.556SS.*Hα-helixtrans-79.6-46.3-176.751.90000111.7Q3 D8 N9 F10Q3-T6 PolarHBondContact O-N 3.2Å; Q3-T6 PolarHBondContact O-OG1 2.88Å; T6-D8 PolarHBondContact O-N 3.09Å; T6-N9 PolarHBondContact O-N 3.39Å; T6-F10 WeakPolarHBondContact O-CD2 3.28Å; T6-F10 PolarHBondContact O-N 3.05Å; T6-F10 VanDerWaalsContact O-N 3.11Å
7E58.2Low66.3Low132 Ų13298.8 Ų98.862%0.61754%0.542SS*.Hα-helixtrans-63.2-44.6-176.6-72.2173.6-179.800112.1N9 F10 Q11E7-N9 VanDerWaalsContact C-N 3.32Å; E7-N9 PolarHBondContact O-N 2.76Å; E7-F10 PolarHBondContact O-N 2.96Å; E7-Q11 WeakPolarHBondContact O-CG 3.49Å; E7-Q11 PolarHBondContact O-N 2.92Å
8D60.2Low67.8Low103 Ų10398.4 Ų98.455%0.55153%0.531SS*.Hα-helixtrans-64.3-36.2179.6-163.734.8000112.3T6 N12T6-D8 PolarHBondContact O-N 3.09Å; D8-N12 WeakPolarHBondContact O-CB 3.39Å; D8-N12 PolarHBondContact O-N 3.4Å; D8-N12 VanDerWaalsContact O-N 3.1Å; D8-N12 PolarHBondContact O-ND2 3.44Å
9N61.6Low69.3Low122 Ų12293.3 Ų93.365%0.65250%0.503SS*.Hα-helixtrans-72.7-33.4177.5-161.353.1000112.5G5 T6 E7 S13G5-N9 WeakPolarHBondContact O-CB 3.36Å; T6-N9 PolarHBondContact O-N 3.39Å; E7-N9 VanDerWaalsContact C-N 3.32Å; E7-N9 PolarHBondContact O-N 2.76Å; N9-S13 PolarHBondContact O-N 2.95Å; N9-S13 PolarHBondContact O-OG 2.72Å
10F61.7Low70.7Confident132 Ų13292.7 Ų92.758%0.57949%0.494SS*.Hα-helixtrans-69.7-47.6174.1-78.8-69.5000111.5T6 E7 N12 S13 D14T6-F10 WeakPolarHBondContact O-CD2 3.28Å; T6-F10 PolarHBondContact O-N 3.05Å; T6-F10 VanDerWaalsContact O-N 3.11Å; E7-F10 PolarHBondContact O-N 2.96Å; F10-N12 PolarHBondContact O-N 3.26Å; F10-S13 PolarHBondContact O-N 3.36Å; F10-S13 VanDerWaalsContact O-N 3.08Å; F10-S13 PolarHBondContact O-OG 3.3Å; F10-D14 PolarHBondContact O-N 3.17Å
11Q65.5Low72Confident127 Ų12794.1 Ų94.159%0.59350%0.498SS*.Hα-helixtrans-60.5-43.4179.5-70.4-67.3-53.100112.3E7 S13 D14 L15E7-Q11 WeakPolarHBondContact O-CG 3.49Å; E7-Q11 PolarHBondContact O-N 2.92Å; Q11-S13 VanDerWaalsContact C-N 3.29Å; Q11-S13 PolarHBondContact O-N 3.48Å; Q11-D14 PolarHBondContact O-N 3.08Å; Q11-L15 WeakPolarHBondContact O-CB 3.26Å; Q11-L15 PolarHBondContact O-N 3.24Å
12N71.5Confident74.8Confident54 Ų5484.1 Ų84.129%0.28945%0.449SS..Hα-helixtrans-61.3-38.5174.9-85.1-55.2000112.1D8 F10 E16 M81D8-N12 WeakPolarHBondContact O-CB 3.39Å; D8-N12 PolarHBondContact O-N 3.4Å; D8-N12 VanDerWaalsContact O-N 3.1Å; D8-N12 PolarHBondContact O-ND2 3.44Å; F10-N12 PolarHBondContact O-N 3.26Å; N12-E16 WeakPolarHBondContact O-CB 3.38Å; N12-E16 PolarHBondContact O-N 3.17Å; N12-M81 HydrophobicContact CB-CE 4.28Å; N12-M81 WeakPolarHBondContact OD1-CE 3.39Å
13S80.5Confident77.3Confident49 Ų4980.5 Ų80.534%0.34342%0.419SS..Hα-helixtrans-67.7-39.417872.20000112.9N9 F10 Q11 E16 V17N9-S13 PolarHBondContact O-N 2.95Å; N9-S13 PolarHBondContact O-OG 2.72Å; F10-S13 PolarHBondContact O-N 3.36Å; F10-S13 VanDerWaalsContact O-N 3.08Å; F10-S13 PolarHBondContact O-OG 3.3Å; Q11-S13 VanDerWaalsContact C-N 3.29Å; Q11-S13 PolarHBondContact O-N 3.48Å; S13-E16 PolarHBondContact O-N 3.38Å; S13-V17 VanDerWaalsContact O-CG2 3.28Å; S13-V17 WeakPolarHBondContact O-CG2 3.32Å; S13-V17 PolarHBondContact O-N 2.83Å
14D89.6Confident79.7Confident89 Ų8976.7 Ų76.748%0.47640%0.403SS..Hα-helixtrans-69.5-38.8178.3-67.9-25.5000111.4F10 Q11 R18F10-D14 PolarHBondContact O-N 3.17Å; Q11-D14 PolarHBondContact O-N 3.08Å; D14-R18 WeakPolarHBondContact O-CG 3.49Å; D14-R18 PolarHBondContact O-N 3.21Å; D14-R18 VanDerWaalsContact O-N 3.07Å
15L90.7Very high81.8Confident30 Ų3076.3 Ų76.316%0.15739%0.394CS..Hα-helixtrans-63.7-46173.3179.261.2000111.6Q11 V17 R18 I19 M81 M84Q11-L15 WeakPolarHBondContact O-CB 3.26Å; Q11-L15 PolarHBondContact O-N 3.24Å; L15-V17 VanDerWaalsContact C-N 3.3Å; L15-V17 PolarHBondContact O-N 3.41Å; L15-R18 PolarHBondContact O-N 2.88Å; L15-I19 HydrophobicContact CD1-CD1 3.91Å; L15-I19 HydrophobicContact CD1-CG1 4.06Å; L15-I19 HydrophobicContact CD2-CD1 4.37Å; L15-I19 HydrophobicContact CG-CD1 3.76Å; L15-I19 HydrophobicContact CG-CG1 4.32Å; L15-I19 WeakPolarHBondContact O-CG1 3.48Å; L15-I19 PolarHBondContact O-N 3.03Å; L15-M81 HydrophobicContact CB-SD 4.44Å; L15-M81 HydrophobicContact CD2-CE 4.29Å; L15-M81 HydrophobicContact CD2-SD 3.93Å; L15-M81 HydrophobicContact CG-SD 3.91Å; L15-M84 HydrophobicContact CD1-CG 4.49Å; L15-M84 HydrophobicContact CD2-CB 3.91Å
16E95.2Very high83.9Confident75 Ų7575.2 Ų75.235%0.3537%0.374SS..Hα-helixtrans-60-41.6179-164.2-156.9118.100111.7N12 S13 I19 R20 L77 M81N12-E16 WeakPolarHBondContact O-CB 3.38Å; N12-E16 PolarHBondContact O-N 3.17Å; S13-E16 PolarHBondContact O-N 3.38Å; E16-I19 PolarHBondContact O-N 3.12Å; E16-R20 WeakPolarHBondContact O-CB 3.48Å; E16-R20 PolarHBondContact O-N 3.1Å; E16-R20 IonicContact OE1-CZ 3.84Å; E16-R20 IonicContact OE1-NH2 3.77Å; E16-R20 PolarHBondContact OE1-NH2 2.98Å; E16-L77 HydrophobicContact CG-CD1 3.86Å; E16-L77 HydrophobicContact CG-CD2 4.08Å; E16-L77 HydrophobicContact CG-CG 4.44Å; E16-M81 HydrophobicContact CB-SD 4.19Å
17V95.4Very high85.8Confident51 Ų5172.4 Ų72.431%0.30936%0.357SS..Hα-helixtrans-61.2-48.7175.4171.10000110.6S13 L15 I19 R20 E21S13-V17 VanDerWaalsContact O-CG2 3.28Å; S13-V17 WeakPolarHBondContact O-CG2 3.32Å; S13-V17 PolarHBondContact O-N 2.83Å; L15-V17 VanDerWaalsContact C-N 3.3Å; L15-V17 PolarHBondContact O-N 3.41Å; V17-I19 PolarHBondContact O-N 3.38Å; V17-R20 WeakPolarHBondContact O-CB 3.39Å; V17-R20 PolarHBondContact O-N 3.43Å; V17-E21 HydrophobicContact CG1-CG 4.38Å; V17-E21 WeakPolarHBondContact O-CG 3.05Å; V17-E21 PolarHBondContact O-N 3.01Å
18R94.3Very high87.6Confident93 Ų9372.5 Ų72.535%0.35136%0.357SS..Hα-helixtrans-61.5-44.2177.9-72.6-174-63.41590.9112.7D14 L15 R20 E21 I22D14-R18 WeakPolarHBondContact O-CG 3.49Å; D14-R18 PolarHBondContact O-N 3.21Å; D14-R18 VanDerWaalsContact O-N 3.07Å; L15-R18 PolarHBondContact O-N 2.88Å; R18-R20 VanDerWaalsContact C-N 3.26Å; R18-R20 PolarHBondContact O-N 3.39Å; R18-E21 PolarHBondContact O-N 3.16Å; R18-I22 WeakPolarHBondContact O-CG1 3.26Å; R18-I22 PolarHBondContact O-N 2.87Å
19I96.8Very high89.3Confident0 Ų073.7 Ų73.70%036%0.359CS..Hα-helixtrans-57.9-42.7176.5-69.7171.3000110.7L15 E16 V17 F23 L46 F76 L77 M80 M81L15-I19 HydrophobicContact CD1-CD1 3.91Å; L15-I19 HydrophobicContact CD1-CG1 4.06Å; L15-I19 HydrophobicContact CD2-CD1 4.37Å; L15-I19 HydrophobicContact CG-CD1 3.76Å; L15-I19 HydrophobicContact CG-CG1 4.32Å; L15-I19 WeakPolarHBondContact O-CG1 3.48Å; L15-I19 PolarHBondContact O-N 3.03Å; E16-I19 PolarHBondContact O-N 3.12Å; V17-I19 PolarHBondContact O-N 3.38Å; I19-F23 VanDerWaalsContact O-CB 3.32Å; I19-F23 WeakPolarHBondContact O-CB 3.27Å; I19-F23 PolarHBondContact O-N 3.39Å; I19-L46 HydrophobicContact CB-CD2 4.44Å; I19-L46 HydrophobicContact CG1-CD1 4.13Å; I19-L46 HydrophobicContact CG1-CD2 3.97Å; I19-F76 HydrophobicContact CG2-CD1 4.15Å; I19-F76 HydrophobicContact CG2-CE1 3.42Å; I19-F76 VanDerWaalsContact CG2-CE1 3.42Å; I19-F76 HydrophobicContact CG2-CZ 4.21Å; I19-L77 HydrophobicContact CB-CD1 4.07Å; I19-L77 HydrophobicContact CG2-CD1 3.59Å; I19-M80 HydrophobicContact CD1-CB 4.16Å; I19-M80 HydrophobicContact CD1-CG 3.82Å; I19-M80 HydrophobicContact CG1-CG 4.13Å; I19-M80 HydrophobicContact CG2-CB 4.24Å; I19-M80 HydrophobicContact CG2-CG 4.16Å; I19-M81 HydrophobicContact CD1-CG 4.1Å; I19-M81 HydrophobicContact CD1-SD 3.63Å
20R97.2Very high90.9Very high82 Ų8278.6 Ų78.631%0.30937%0.368SS..Hα-helixtrans-65.6-45.8177.2-168.5-174.6-35.5123.33.7112.5E16 V17 R18 F23 D24 Y73E16-R20 WeakPolarHBondContact O-CB 3.48Å; E16-R20 PolarHBondContact O-N 3.1Å; E16-R20 IonicContact OE1-CZ 3.84Å; E16-R20 IonicContact OE1-NH2 3.77Å; E16-R20 PolarHBondContact OE1-NH2 2.98Å; V17-R20 WeakPolarHBondContact O-CB 3.39Å; V17-R20 PolarHBondContact O-N 3.43Å; R18-R20 VanDerWaalsContact C-N 3.26Å; R18-R20 PolarHBondContact O-N 3.39Å; R20-F23 PolarHBondContact O-N 2.87Å; R20-D24 WeakPolarHBondContact O-CB 3.48Å; R20-D24 PolarHBondContact O-N 2.95Å; R20-Y73 HydrophobicContact CB-CE2 4.39Å; R20-Y73 WeakPolarHBondContact CB-OH 3.29Å; R20-Y73 HydrophobicContact CG-CE2 4.2Å; R20-Y73 VanDerWaalsContact CG-OH 3.3Å; R20-Y73 WeakPolarHBondContact CG-OH 3.5Å
21E96.8Very high92.6Very high123 Ų12375.7 Ų75.758%0.57536%0.359SS*.Hα-helixtrans-62.4-44.2-179.9-74.2177166.900112V17 R18 D24 L25V17-E21 HydrophobicContact CG1-CG 4.38Å; V17-E21 WeakPolarHBondContact O-CG 3.05Å; V17-E21 PolarHBondContact O-N 3.01Å; R18-E21 PolarHBondContact O-N 3.16Å; E21-D24 PolarHBondContact O-N 3.02Å; E21-L25 PolarHBondContact O-N 2.76Å; E21-L25 VanDerWaalsContact O-N 3.14Å
22I97.2Very high94.1Very high35 Ų3574 Ų7418%0.17935%0.35CS..Hα-helixtrans-65.9-45.1174.2-62.4-56.9000110.4R18 D24 L25 F26 V42 A45 L46R18-I22 WeakPolarHBondContact O-CG1 3.26Å; R18-I22 PolarHBondContact O-N 2.87Å; I22-D24 VanDerWaalsContact C-N 3.3Å; I22-D24 PolarHBondContact O-N 2.83Å; I22-L25 VanDerWaalsContact O-CB 3.28Å; I22-L25 WeakPolarHBondContact O-CB 3.45Å; I22-L25 PolarHBondContact O-N 3.07Å; I22-L25 VanDerWaalsContact O-N 3.08Å; I22-F26 HydrophobicContact CG2-CD2 4.22Å; I22-F26 HydrophobicContact CG2-CE2 4.08Å; I22-F26 WeakPolarHBondContact O-CD2 3.43Å; I22-F26 PolarHBondContact O-N 3.05Å; I22-V42 HydrophobicContact CG2-CG1 4.06Å; I22-A45 HydrophobicContact CD1-CB 4.21Å; I22-A45 HydrophobicContact CG2-CB 3.8Å; I22-L46 HydrophobicContact CB-CD2 3.83Å; I22-L46 HydrophobicContact CB-CG 4.1Å; I22-L46 HydrophobicContact CG1-CD2 3.53Å; I22-L46 HydrophobicContact CG1-CG 4.04Å; I22-L46 HydrophobicContact CG2-CD2 4.4Å; I22-L46 HydrophobicContact CG2-CG 4.11Å
23F98.1Very high95.4Very high0 Ų072.2 Ų72.20%034%0.341CS..Hα-helixtrans-57.9-45.3177.8-173.4-82.1000111.9I19 R20 L25 F26 D27 I34 Y73 F76I19-F23 VanDerWaalsContact O-CB 3.32Å; I19-F23 WeakPolarHBondContact O-CB 3.27Å; I19-F23 PolarHBondContact O-N 3.39Å; R20-F23 PolarHBondContact O-N 2.87Å; F23-L25 PolarHBondContact O-N 3.07Å; F23-F26 CarbonylContact O-C 3.56Å; F23-F26 PolarHBondContact O-N 3.39Å; F23-D27 HydrophobicContact CD1-CB 4.29Å; F23-D27 HydrophobicContact CE1-CB 4.14Å; F23-D27 PolarHBondContact O-N 2.7Å; F23-I34 HydrophobicContact CD1-CG2 4.26Å; F23-I34 HydrophobicContact CD2-CD1 3.98Å; F23-I34 HydrophobicContact CD2-CG1 4.34Å; F23-I34 HydrophobicContact CD2-CG2 3.99Å; F23-I34 HydrophobicContact CE1-CG2 3.96Å; F23-I34 HydrophobicContact CE2-CB 4.28Å; F23-I34 HydrophobicContact CE2-CD1 3.77Å; F23-I34 HydrophobicContact CE2-CG1 3.68Å; F23-I34 HydrophobicContact CE2-CG2 3.73Å; F23-I34 HydrophobicContact CG-CG2 4.28Å; F23-I34 HydrophobicContact CZ-CB 4.38Å; F23-I34 HydrophobicContact CZ-CG1 4.16Å; F23-I34 HydrophobicContact CZ-CG2 3.71Å; F23-Y73 HydrophobicContact CB-CD2 4.06Å; F23-Y73 HydrophobicContact CB-CE2 4.11Å; F23-Y73 AromaticContact CD1-CD2 3.49Å; F23-Y73 HydrophobicContact CD1-CD2 3.49Å; F23-Y73 VanDerWaalsContact CD1-CD2 3.49Å; F23-Y73 HydrophobicContact CD1-CE2 4.26Å; F23-Y73 HydrophobicContact CD1-CG 4.26Å; F23-Y73 AromaticContact CD2-CD2 3.9Å; F23-Y73 HydrophobicContact CD2-CD2 3.9Å; F23-Y73 AromaticContact CE1-CD2 3.81Å; F23-Y73 HydrophobicContact CE1-CD2 3.81Å; F23-Y73 HydrophobicContact CE1-CG 4.17Å; F23-Y73 HydrophobicContact CE2-CD2 4.14Å; F23-Y73 AromaticContact CG-CD2 3.53Å; F23-Y73 HydrophobicContact CG-CD2 3.53Å; F23-Y73 HydrophobicContact CG-CE2 4.1Å; F23-Y73 HydrophobicContact CZ-CD2 4.1Å; F23-Y73 HydrophobicContact CZ-CG 4.4Å; F23-F76 HydrophobicContact CB-CD1 4.41Å; F23-F76 HydrophobicContact CB-CE1 4.03Å; F23-F76 HydrophobicContact CD2-CB 4.32Å; F23-F76 AromaticContact CD2-CD1 3.3Å; F23-F76 HydrophobicContact CD2-CD1 3.3Å; F23-F76 HydrophobicContact CD2-CD2 4.33Å; F23-F76 AromaticContact CD2-CE1 3.54Å; F23-F76 HydrophobicContact CD2-CE1 3.54Å; F23-F76 AromaticContact CD2-CG 3.73Å; F23-F76 HydrophobicContact CD2-CG 3.73Å; F23-F76 HydrophobicContact CD2-CZ 4.18Å; F23-F76 HydrophobicContact CE2-CB 3.96Å; F23-F76 AromaticContact CE2-CD1 3.84Å; F23-F76 HydrophobicContact CE2-CD1 3.84Å; F23-F76 HydrophobicContact CE2-CD2 4.45Å; F23-F76 HydrophobicContact CE2-CE1 4.45Å; F23-F76 AromaticContact CE2-CG 3.83Å; F23-F76 HydrophobicContact CE2-CG 3.83Å; F23-F76 HydrophobicContact CG-CD1 4.18Å; F23-F76 HydrophobicContact CG-CE1 4.23Å
24D97.8Very high96.2Very high69 Ų6970 Ų7037%0.36933%0.325SS..Hα-helixtrans-65.8-21.8179.6-75.6-15.1000112.7R20 E21 I22 F26 K32R20-D24 WeakPolarHBondContact O-CB 3.48Å; R20-D24 PolarHBondContact O-N 2.95Å; E21-D24 PolarHBondContact O-N 3.02Å; I22-D24 VanDerWaalsContact C-N 3.3Å; I22-D24 PolarHBondContact O-N 2.83Å; D24-F26 VanDerWaalsContact C-N 3.33Å; D24-K32 IonicContact OD1-NZ 3.33Å; D24-K32 PolarHBondContact OD1-NZ 3.43Å; D24-K32 IonicContact OD2-NZ 2.96Å; D24-K32 PolarHBondContact OD2-NZ 3.24Å
25L97.4Very high96.6Very high118 Ų11867 Ų6762%0.61831%0.308SS*.Hα-helixtrans-68.5-31.7171.1-177.166.5000112.2E21 I22 F23E21-L25 PolarHBondContact O-N 2.76Å; E21-L25 VanDerWaalsContact O-N 3.14Å; I22-L25 VanDerWaalsContact O-CB 3.28Å; I22-L25 WeakPolarHBondContact O-CB 3.45Å; I22-L25 PolarHBondContact O-N 3.07Å; I22-L25 VanDerWaalsContact O-N 3.08Å; F23-L25 PolarHBondContact O-N 3.07Å
26F97.6Very high96.8Very high29 Ų2969.5 Ų69.513%0.12732%0.318CS..Hα-helixtrans-99.5-11.7-179.6-69.9-95.2000113.1I22 F23 D24 H28 I34 E38 T41 V42 A45I22-F26 HydrophobicContact CG2-CD2 4.22Å; I22-F26 HydrophobicContact CG2-CE2 4.08Å; I22-F26 WeakPolarHBondContact O-CD2 3.43Å; I22-F26 PolarHBondContact O-N 3.05Å; F23-F26 CarbonylContact O-C 3.56Å; F23-F26 PolarHBondContact O-N 3.39Å; D24-F26 VanDerWaalsContact C-N 3.33Å; F26-H28 PolarHBondContact O-CD2 3.38Å; F26-H28 PolarHBondContact O-N 2.94Å; F26-H28 PolarHBondContact O-NE2 3.25Å; F26-I34 HydrophobicContact CB-CG2 3.79Å; F26-E38 HydrophobicContact CD1-CB 4.09Å; F26-E38 HydrophobicContact CD1-CG 4.41Å; F26-T41 HydrophobicContact CE1-CG2 3.77Å; F26-T41 HydrophobicContact CZ-CG2 3.67Å; F26-V42 HydrophobicContact CB-CG2 3.94Å; F26-V42 HydrophobicContact CD1-CG2 4.02Å; F26-V42 HydrophobicContact CD2-CG2 3.49Å; F26-V42 VanDerWaalsContact CD2-CG2 3.49Å; F26-V42 HydrophobicContact CE1-CG2 4.41Å; F26-V42 HydrophobicContact CE2-CG2 3.94Å; F26-V42 HydrophobicContact CG-CG2 3.54Å; F26-V42 HydrophobicContact CZ-CG2 4.38Å; F26-A45 HydrophobicContact CE2-CB 4.33Å
27D98.1Very high96.9Very high8 Ų874.6 Ų74.64%0.04333%0.334CS..  trans-74.471.5170.9-178.610.5000110.8F23 E29 R30 N31 K32 T33F23-D27 HydrophobicContact CD1-CB 4.29Å; F23-D27 HydrophobicContact CE1-CB 4.14Å; F23-D27 PolarHBondContact O-N 2.7Å; D27-E29 PolarHBondContact O-N 3.1Å; D27-R30 VanDerWaalsContact CG-CA 3.49Å; D27-R30 PolarHBondContact O-N 3.25Å; D27-R30 VanDerWaalsContact OD1-CA 3.25Å; D27-R30 WeakPolarHBondContact OD1-CA 3.27Å; D27-R30 PolarHBondContact OD1-N 3.38Å; D27-R30 WeakPolarHBondContact OD2-CA 3.41Å; D27-N31 PolarHBondContact OD1-N 3.18Å; D27-N31 PolarHBondContact OD1-OD1 2.75Å; D27-N31 PolarHBondContact OD2-N 3.34Å; D27-K32 PolarHBondContact OD1-N 3.01Å; D27-K32 VanDerWaalsContact OD2-CA 3.26Å; D27-K32 WeakPolarHBondContact OD2-CA 3.48Å; D27-K32 PolarHBondContact OD2-N 2.95Å; D27-T33 WeakPolarHBondContact CA-O 3.2Å
28H96.5Very high97Very high133 Ų13374.2 Ų74.262%0.61633%0.329SS*.THydrogen-bonded Turntrans-58.3-32.3-175.3-58.5-61.4000113F26 E38F26-H28 PolarHBondContact O-CD2 3.38Å; F26-H28 PolarHBondContact O-N 2.94Å; F26-H28 PolarHBondContact O-NE2 3.25Å; H28-E38 IonicContact CD2-OE1 3.83Å; H28-E38 IonicContact CD2-OE2 2.76Å; H28-E38 IonicContact CE1-OE1 2.63Å; H28-E38 IonicContact NE2-OE1 3.59Å; H28-E38 PolarHBondContact NE2-OE1 3.08Å; H28-E38 IonicContact NE2-OE2 3.89Å
29E95.7Very high97.1Very high128 Ų12869.8 Ų69.860%0.59831%0.313SS*.THydrogen-bonded Turntrans-91.1-6.6-178-64.7-172.8-174.800113.4D27 N31D27-E29 PolarHBondContact O-N 3.1Å; E29-N31 HydrophobicContact CB-CB 4.33Å; E29-N31 PolarHBondContact O-N 3.25Å; E29-N31 PolarHBondContact OE2-ND2 3.4Å
30R96.1Very high97.2Very high226 Ų22670.1 Ų70.185%0.85332%0.316SS*.SBendtrans54.937.8-175.6-56.6-178.9175.7-178.9-2.6112.5D27D27-R30 VanDerWaalsContact CG-CA 3.49Å; D27-R30 PolarHBondContact O-N 3.25Å; D27-R30 VanDerWaalsContact OD1-CA 3.25Å; D27-R30 WeakPolarHBondContact OD1-CA 3.27Å; D27-R30 PolarHBondContact OD1-N 3.38Å; D27-R30 WeakPolarHBondContact OD2-CA 3.41Å
31N97Very high97.2Very high71 Ų7169.6 Ų69.638%0.3832%0.322SS..SBendtrans-112.911.5-176.870.44.8000112.2D27 E29 T33D27-N31 PolarHBondContact OD1-N 3.18Å; D27-N31 PolarHBondContact OD1-OD1 2.75Å; D27-N31 PolarHBondContact OD2-N 3.34Å; E29-N31 HydrophobicContact CB-CB 4.33Å; E29-N31 PolarHBondContact O-N 3.25Å; E29-N31 PolarHBondContact OE2-ND2 3.4Å; N31-T33 VanDerWaalsContact C-N 3.3Å; N31-T33 PolarHBondContact ND2-OG1 2.86Å; N31-T33 WeakPolarHBondContact OD1-CB 3.33Å; N31-T33 PolarHBondContact OD1-N 3.24Å; N31-T33 PolarHBondContact OD1-OG1 3.41Å
32K97.7Very high97.2Very high92 Ų9263.8 Ų63.840%0.430%0.295SS..SBendtrans63.434-176.5-60.2-60.8-178.5-177.50113.5D24 D27 Y73D24-K32 IonicContact OD1-NZ 3.33Å; D24-K32 PolarHBondContact OD1-NZ 3.43Å; D24-K32 IonicContact OD2-NZ 2.96Å; D24-K32 PolarHBondContact OD2-NZ 3.24Å; D27-K32 PolarHBondContact OD1-N 3.01Å; D27-K32 VanDerWaalsContact OD2-CA 3.26Å; D27-K32 WeakPolarHBondContact OD2-CA 3.48Å; D27-K32 PolarHBondContact OD2-N 2.95Å; K32-Y73 PolarHBondContact O-N 3.07Å
33T97.8Very high97.2Very high16 Ų1662.1 Ų62.110%0.09829%0.286CS..EExtended strand (participates in β ladder)trans-132.9152172.676.70000111.9D27 N31 I71 N72D27-T33 WeakPolarHBondContact CA-O 3.2Å; N31-T33 VanDerWaalsContact C-N 3.3Å; N31-T33 PolarHBondContact ND2-OG1 2.86Å; N31-T33 WeakPolarHBondContact OD1-CB 3.33Å; N31-T33 PolarHBondContact OD1-N 3.24Å; N31-T33 PolarHBondContact OD1-OG1 3.41Å; T33-I71 VanDerWaalsContact CA-O 3.23Å; T33-I71 WeakPolarHBondContact CA-O 3.46Å; T33-N72 VanDerWaalsContact CG2-OD1 3.3Å; T33-N72 WeakPolarHBondContact CG2-OD1 3.38Å
34I97.9Very high97.1Very high2 Ų267.3 Ų67.31%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-125.6156.1169.760.7174.2000109.2F23 F26 L39 V42 Y70 I71F23-I34 HydrophobicContact CD1-CG2 4.26Å; F23-I34 HydrophobicContact CD2-CD1 3.98Å; F23-I34 HydrophobicContact CD2-CG1 4.34Å; F23-I34 HydrophobicContact CD2-CG2 3.99Å; F23-I34 HydrophobicContact CE1-CG2 3.96Å; F23-I34 HydrophobicContact CE2-CB 4.28Å; F23-I34 HydrophobicContact CE2-CD1 3.77Å; F23-I34 HydrophobicContact CE2-CG1 3.68Å; F23-I34 HydrophobicContact CE2-CG2 3.73Å; F23-I34 HydrophobicContact CG-CG2 4.28Å; F23-I34 HydrophobicContact CZ-CB 4.38Å; F23-I34 HydrophobicContact CZ-CG1 4.16Å; F23-I34 HydrophobicContact CZ-CG2 3.71Å; F26-I34 HydrophobicContact CB-CG2 3.79Å; I34-L39 HydrophobicContact CD1-CD1 4.49Å; I34-V42 HydrophobicContact CD1-CG2 3.99Å; I34-Y70 CarbonylContact O-C 3.31Å; I34-Y70 VanDerWaalsContact O-CA 3.29Å; I34-Y70 WeakPolarHBondContact O-CA 3.18Å; I34-I71 HydrophobicContact CG1-CB 3.99Å; I34-I71 PolarHBondContact N-O 3.28Å; I34-I71 VanDerWaalsContact N-O 3.11Å; I34-I71 PolarHBondContact O-N 2.85Å
35D97.5Very high96.9Very high25 Ų2566.4 Ų66.413%0.13431%0.307CS..EExtended strand (participates in β ladder)trans-68.6136.9172.7-167.2-60.4000109.8R37 E38D35-R37 PolarHBondContact O-N 2.86Å; D35-R37 VanDerWaalsContact O-N 3.08Å; D35-R37 WeakPolarHBondContact OD1-CB 3.37Å; D35-R37 VanDerWaalsContact OD1-CG 3.24Å; D35-R37 WeakPolarHBondContact OD1-CG 3.38Å; D35-R37 IonicContact OD1-CZ 3.73Å; D35-R37 PolarHBondContact OD1-N 3.35Å; D35-R37 IonicContact OD1-NE 3.25Å; D35-R37 PolarHBondContact OD1-NE 3.19Å; D35-R37 IonicContact OD1-NH2 3.29Å; D35-R37 IonicContact OD2-CZ 4Å; D35-R37 VanDerWaalsContact OD2-CZ 3.29Å; D35-R37 IonicContact OD2-NE 3.97Å; D35-R37 PolarHBondContact OD2-NE 2.89Å; D35-R37 IonicContact OD2-NH2 2.65Å; D35-R37 PolarHBondContact OD2-NH2 3.1Å; D35-E38 HydrophobicContact CB-CG 4.1Å; D35-E38 WeakPolarHBondContact CB-OE2 3.43Å; D35-E38 PolarHBondContact N-OE2 2.91Å; D35-E38 WeakPolarHBondContact O-CB 3.49Å; D35-E38 PolarHBondContact O-N 2.74Å
36F95.7Very high96.7Very high83 Ų8362 Ų6236%0.36428%0.284SS..G310 helixtrans-60.2-24.9179.874.1-101.9000112.8E38 L39 V59 G69 I71F36-E38 PolarHBondContact O-N 3.22Å; F36-L39 VanDerWaalsContact O-CB 3.29Å; F36-L39 WeakPolarHBondContact O-CB 3.37Å; F36-L39 PolarHBondContact O-N 3.18Å; F36-V59 HydrophobicContact CB-CG1 3.89Å; F36-V59 HydrophobicContact CB-CG2 4.11Å; F36-V59 HydrophobicContact CD2-CG1 4.06Å; F36-V59 HydrophobicContact CD2-CG2 4.35Å; F36-V59 HydrophobicContact CG-CG1 4.11Å; F36-G69 VanDerWaalsContact CD1-O 3.24Å; F36-G69 WeakPolarHBondContact CD1-O 3.29Å; F36-G69 PolarHBondContact N-O 2.98Å; F36-I71 HydrophobicContact CB-CD1 4.01Å; F36-I71 HydrophobicContact CB-CG1 4.15Å
37R96.2Very high96.3Very high182 Ų18262.2 Ų62.269%0.68730%0.295SS*.G310 helixtrans-69.4-20.2177.7-62.2172.7-74.7178.1-1.8112.4D35D35-R37 PolarHBondContact O-N 2.86Å; D35-R37 VanDerWaalsContact O-N 3.08Å; D35-R37 WeakPolarHBondContact OD1-CB 3.37Å; D35-R37 VanDerWaalsContact OD1-CG 3.24Å; D35-R37 WeakPolarHBondContact OD1-CG 3.38Å; D35-R37 IonicContact OD1-CZ 3.73Å; D35-R37 PolarHBondContact OD1-N 3.35Å; D35-R37 IonicContact OD1-NE 3.25Å; D35-R37 PolarHBondContact OD1-NE 3.19Å; D35-R37 IonicContact OD1-NH2 3.29Å; D35-R37 IonicContact OD2-CZ 4Å; D35-R37 VanDerWaalsContact OD2-CZ 3.29Å; D35-R37 IonicContact OD2-NE 3.97Å; D35-R37 PolarHBondContact OD2-NE 2.89Å; D35-R37 IonicContact OD2-NH2 2.65Å; D35-R37 PolarHBondContact OD2-NH2 3.1Å
38E97.4Very high96.2Very high44 Ų4462.2 Ų62.221%0.20630%0.297CS..G310 helixtrans-87.7-8.5178.1-63.2176.912100112.4F26 H28 D35 F36 G40 T41 V42F26-E38 HydrophobicContact CD1-CB 4.09Å; F26-E38 HydrophobicContact CD1-CG 4.41Å; H28-E38 IonicContact CD2-OE1 3.83Å; H28-E38 IonicContact CD2-OE2 2.76Å; H28-E38 IonicContact CE1-OE1 2.63Å; H28-E38 IonicContact NE2-OE1 3.59Å; H28-E38 PolarHBondContact NE2-OE1 3.08Å; H28-E38 IonicContact NE2-OE2 3.89Å; D35-E38 HydrophobicContact CB-CG 4.1Å; D35-E38 WeakPolarHBondContact CB-OE2 3.43Å; D35-E38 PolarHBondContact N-OE2 2.91Å; D35-E38 WeakPolarHBondContact O-CB 3.49Å; D35-E38 PolarHBondContact O-N 2.74Å; F36-E38 PolarHBondContact O-N 3.22Å; E38-G40 VanDerWaalsContact C-N 3.34Å; E38-G40 PolarHBondContact O-N 2.91Å; E38-T41 WeakPolarHBondContact O-CB 3.43Å; E38-T41 PolarHBondContact O-N 3.14Å; E38-T41 VanDerWaalsContact O-N 3.07Å; E38-V42 WeakPolarHBondContact O-CG2 3.37Å; E38-V42 PolarHBondContact O-N 3.47Å
39L97.7Very high96Very high0 Ų059.7 Ų59.70%029%0.291CS..Hα-helixtrans-58.5-42.6-173.6-175.262.8000112.8I34 F36 T41 V42 I43 V55 L58 V59 L62 I71 F76 M80I34-L39 HydrophobicContact CD1-CD1 4.49Å; F36-L39 VanDerWaalsContact O-CB 3.29Å; F36-L39 WeakPolarHBondContact O-CB 3.37Å; F36-L39 PolarHBondContact O-N 3.18Å; L39-T41 VanDerWaalsContact C-N 3.34Å; L39-T41 PolarHBondContact O-N 3.34Å; L39-V42 PolarHBondContact O-N 2.6Å; L39-I43 HydrophobicContact CD1-CD1 4.47Å; L39-I43 HydrophobicContact CG-CD1 4.09Å; L39-I43 WeakPolarHBondContact O-CD1 3.43Å; L39-I43 VanDerWaalsContact O-CG1 3.27Å; L39-I43 WeakPolarHBondContact O-CG1 3.26Å; L39-I43 PolarHBondContact O-N 3.16Å; L39-V55 HydrophobicContact CB-CG1 4.32Å; L39-V55 HydrophobicContact CD2-CG1 4.49Å; L39-L58 HydrophobicContact CD1-CD2 4.26Å; L39-L58 HydrophobicContact CD2-CB 3.98Å; L39-L58 HydrophobicContact CD2-CD2 3.93Å; L39-L58 HydrophobicContact CD2-CG 3.94Å; L39-L58 HydrophobicContact CG-CD2 4.35Å; L39-V59 HydrophobicContact CB-CG2 4.34Å; L39-V59 HydrophobicContact CD2-CB 4.42Å; L39-V59 HydrophobicContact CD2-CG2 3.54Å; L39-L62 HydrophobicContact CD1-CD1 4.49Å; L39-L62 HydrophobicContact CD2-CD1 4.46Å; L39-I71 HydrophobicContact CB-CD1 4.09Å; L39-I71 HydrophobicContact CD1-CD1 4Å; L39-I71 HydrophobicContact CD2-CD1 3.77Å; L39-I71 HydrophobicContact CG-CD1 4.17Å; L39-F76 HydrophobicContact CD1-CD2 3.98Å; L39-F76 HydrophobicContact CD1-CE2 3.71Å; L39-M80 HydrophobicContact CD1-CE 4.5Å
40G97.3Very high96.1Very high6 Ų653.9 Ų53.96%0.06226%0.264CS..Hα-helixtrans-61.4-42.4176.900000112.3E38 I43 R44E38-G40 VanDerWaalsContact C-N 3.34Å; E38-G40 PolarHBondContact O-N 2.91Å; G40-I43 PolarHBondContact O-N 3.47Å; G40-R44 WeakPolarHBondContact O-CG 3.1Å; G40-R44 PolarHBondContact O-N 3.38Å
41T96.9Very high96Very high72 Ų7245.8 Ų45.844%0.44224%0.24SC..Hα-helixtrans-66.3-40.5177-49.50000111.7F26 E38 L39 I43 R44 A45F26-T41 HydrophobicContact CE1-CG2 3.77Å; F26-T41 HydrophobicContact CZ-CG2 3.67Å; E38-T41 WeakPolarHBondContact O-CB 3.43Å; E38-T41 PolarHBondContact O-N 3.14Å; E38-T41 VanDerWaalsContact O-N 3.07Å; L39-T41 VanDerWaalsContact C-N 3.34Å; L39-T41 PolarHBondContact O-N 3.34Å; T41-I43 PolarHBondContact O-N 2.9Å; T41-R44 PolarHBondContact O-N 2.75Å; T41-A45 WeakPolarHBondContact O-CB 3.37Å; T41-A45 PolarHBondContact O-N 3.05Å
42V97.7Very high95.9Very high0 Ų046.4 Ų46.40%024%0.24CC..Hα-helixtrans-59.6-45.5175165.40000111.1I22 F26 I34 E38 L39 R44 A45 L46 F76I22-V42 HydrophobicContact CG2-CG1 4.06Å; F26-V42 HydrophobicContact CB-CG2 3.94Å; F26-V42 HydrophobicContact CD1-CG2 4.02Å; F26-V42 HydrophobicContact CD2-CG2 3.49Å; F26-V42 VanDerWaalsContact CD2-CG2 3.49Å; F26-V42 HydrophobicContact CE1-CG2 4.41Å; F26-V42 HydrophobicContact CE2-CG2 3.94Å; F26-V42 HydrophobicContact CG-CG2 3.54Å; F26-V42 HydrophobicContact CZ-CG2 4.38Å; I34-V42 HydrophobicContact CD1-CG2 3.99Å; E38-V42 WeakPolarHBondContact O-CG2 3.37Å; E38-V42 PolarHBondContact O-N 3.47Å; L39-V42 PolarHBondContact O-N 2.6Å; V42-R44 PolarHBondContact O-N 3.03Å; V42-A45 PolarHBondContact O-N 2.94Å; V42-L46 HydrophobicContact CG1-CD1 4.29Å; V42-L46 WeakPolarHBondContact O-CG 3.45Å; V42-L46 PolarHBondContact O-N 2.71Å; V42-L46 VanDerWaalsContact O-N 3.08Å; V42-F76 HydrophobicContact CG1-CE2 3.86Å; V42-F76 HydrophobicContact CG1-CZ 3.5Å
43I97.2Very high95.8Very high0 Ų044.9 Ų44.90%025%0.245CC..Hα-helixtrans-64.5-41.6177.8-62.2160.4000110.9L39 G40 T41 A45 L46 G47 G48 P50 V55 L58 M80 F89L39-I43 HydrophobicContact CD1-CD1 4.47Å; L39-I43 HydrophobicContact CG-CD1 4.09Å; L39-I43 WeakPolarHBondContact O-CD1 3.43Å; L39-I43 VanDerWaalsContact O-CG1 3.27Å; L39-I43 WeakPolarHBondContact O-CG1 3.26Å; L39-I43 PolarHBondContact O-N 3.16Å; G40-I43 PolarHBondContact O-N 3.47Å; T41-I43 PolarHBondContact O-N 2.9Å; I43-A45 VanDerWaalsContact C-N 3.35Å; I43-L46 WeakPolarHBondContact O-CB 3.27Å; I43-L46 PolarHBondContact O-N 3.36Å; I43-L46 VanDerWaalsContact O-N 3.11Å; I43-G47 PolarHBondContact O-N 2.89Å; I43-G48 PolarHBondContact O-N 3.44Å; I43-P50 HydrophobicContact CB-CG 3.91Å; I43-P50 HydrophobicContact CD1-CB 4.33Å; I43-P50 HydrophobicContact CD1-CG 4.21Å; I43-P50 HydrophobicContact CG2-CB 4.11Å; I43-P50 HydrophobicContact CG2-CG 3.66Å; I43-V55 HydrophobicContact CD1-CG2 4.4Å; I43-L58 HydrophobicContact CD1-CD2 3.97Å; I43-M80 HydrophobicContact CD1-CE 4.22Å; I43-M80 HydrophobicContact CG1-CE 3.54Å; I43-M80 HydrophobicContact CG1-SD 4.31Å; I43-F89 HydrophobicContact CD1-CE2 4.24Å; I43-F89 HydrophobicContact CD1-CZ 4.19Å; I43-F89 HydrophobicContact CG1-CE2 4.41Å; I43-F89 HydrophobicContact CG2-CB 4.09Å; I43-F89 HydrophobicContact CG2-CD1 4.47Å; I43-F89 HydrophobicContact CG2-CD2 3.54Å; I43-F89 HydrophobicContact CG2-CE2 4.05Å; I43-F89 HydrophobicContact CG2-CG 3.78Å
44R95.2Very high95.8Very high110 Ų11046.7 Ų46.742%0.41525%0.253SS..Hα-helixtrans-64.2-38.3176.4-70.1175.3-173.1118.13.4112.3G40 T41 V42 L46 G47 G48 P50 E52G40-R44 WeakPolarHBondContact O-CG 3.1Å; G40-R44 PolarHBondContact O-N 3.38Å; T41-R44 PolarHBondContact O-N 2.75Å; V42-R44 PolarHBondContact O-N 3.03Å; R44-L46 PolarHBondContact O-N 3.15Å; R44-G47 PolarHBondContact O-N 3.49Å; R44-G48 WeakPolarHBondContact CA-O 3.44Å; R44-P50 HydrophobicContact CG-CG 4.35Å; R44-P50 PolarHBondContact NH2-O 3.41Å; R44-E52 IonicContact CZ-OE1 3.18Å; R44-E52 IonicContact NH1-OE1 2.85Å; R44-E52 IonicContact NH2-OE1 2.83Å; R44-E52 PolarHBondContact NH2-OE1 2.73Å
45A94.4Very high95.7Very high49 Ų4947.1 Ų47.141%0.40526%0.255SS..Hα-helixtrans-67.4-22.4173.800000113.2I22 F26 T41 V42 I43 G47I22-A45 HydrophobicContact CD1-CB 4.21Å; I22-A45 HydrophobicContact CG2-CB 3.8Å; F26-A45 HydrophobicContact CE2-CB 4.33Å; T41-A45 WeakPolarHBondContact O-CB 3.37Å; T41-A45 PolarHBondContact O-N 3.05Å; V42-A45 PolarHBondContact O-N 2.94Å; I43-A45 VanDerWaalsContact C-N 3.35Å; A45-G47 VanDerWaalsContact C-N 3.26Å
46L93.3Very high95.7Very high25 Ų2549.8 Ų49.813%0.13127%0.268CS..THydrogen-bonded Turntrans-83.22.1170.4-70.1166.2000113.6I19 I22 V42 I43 R44 F76 M80 M84I19-L46 HydrophobicContact CB-CD2 4.44Å; I19-L46 HydrophobicContact CG1-CD1 4.13Å; I19-L46 HydrophobicContact CG1-CD2 3.97Å; I22-L46 HydrophobicContact CB-CD2 3.83Å; I22-L46 HydrophobicContact CB-CG 4.1Å; I22-L46 HydrophobicContact CG1-CD2 3.53Å; I22-L46 HydrophobicContact CG1-CG 4.04Å; I22-L46 HydrophobicContact CG2-CD2 4.4Å; I22-L46 HydrophobicContact CG2-CG 4.11Å; V42-L46 HydrophobicContact CG1-CD1 4.29Å; V42-L46 WeakPolarHBondContact O-CG 3.45Å; V42-L46 PolarHBondContact O-N 2.71Å; V42-L46 VanDerWaalsContact O-N 3.08Å; I43-L46 WeakPolarHBondContact O-CB 3.27Å; I43-L46 PolarHBondContact O-N 3.36Å; I43-L46 VanDerWaalsContact O-N 3.11Å; R44-L46 PolarHBondContact O-N 3.15Å; L46-F76 HydrophobicContact CD1-CZ 4.39Å; L46-M80 HydrophobicContact CD1-CG 3.95Å; L46-M80 HydrophobicContact CD1-SD 4.25Å; L46-M84 HydrophobicContact CB-CE 3.6Å; L46-M84 HydrophobicContact CD1-CE 4.03Å; L46-M84 HydrophobicContact CG-CE 4.43Å
47G90.1Very high95.7Very high34 Ų3448 Ų4835%0.35127%0.266SS..THydrogen-bonded Turntrans85.85.8-178.700000114.7I43 R44 A45 N161I43-G47 PolarHBondContact O-N 2.89Å; R44-G47 PolarHBondContact O-N 3.49Å; A45-G47 VanDerWaalsContact C-N 3.26Å; G47-N161 PolarHBondContact O-ND2 2.89Å
48G94.3Very high95.7Very high8 Ų839.4 Ų39.48%0.08223%0.234CC..  trans-80.9158.6173.400000112.6I43 R44 P50 F89I43-G48 PolarHBondContact O-N 3.44Å; R44-G48 WeakPolarHBondContact CA-O 3.44Å; G48-P50 VanDerWaalsContact C-CD 3.47Å; G48-P50 WeakPolarHBondContact O-CD 3.35Å; G48-F89 CarbonylContact C-O 3.55Å; G48-F89 WeakPolarHBondContact CA-O 3.4Å
49V93.5Very high95.7Very high80 Ų8038.4 Ų38.449%0.48523%0.231SC..  trans-124.664.7-179.8-156.70000110F89 P91V49-F89 PolarHBondContact N-O 2.73Å; V49-P91 HydrophobicContact CG2-CB 3.8Å; V49-P91 HydrophobicContact CG2-CG 3.59Å
50P96.8Very high95.5Very high6 Ų647.1 Ų47.14%0.03926%0.264CS..  trans-72.6143.1-174.434.8-37.6000110.6I43 R44 G48 E54 V55 F89I43-P50 HydrophobicContact CB-CG 3.91Å; I43-P50 HydrophobicContact CD1-CB 4.33Å; I43-P50 HydrophobicContact CD1-CG 4.21Å; I43-P50 HydrophobicContact CG2-CB 4.11Å; I43-P50 HydrophobicContact CG2-CG 3.66Å; R44-P50 HydrophobicContact CG-CG 4.35Å; R44-P50 PolarHBondContact NH2-O 3.41Å; G48-P50 VanDerWaalsContact C-CD 3.47Å; G48-P50 WeakPolarHBondContact O-CD 3.35Å; P50-E54 HydrophobicContact CB-CB 4.49Å; P50-V55 HydrophobicContact CB-CG2 3.8Å; P50-V55 HydrophobicContact CG-CG2 3.82Å; P50-F89 HydrophobicContact CB-CD1 3.74Å; P50-F89 HydrophobicContact CB-CE1 4.17Å; P50-F89 HydrophobicContact CB-CG 4.31Å
51T95.3Very high95.4Very high56 Ų5651.6 Ų51.634%0.34428%0.283SS..  trans-71.1155.8162.8600000110.3A53 E54 V55 E126T51-A53 PolarHBondContact O-N 3.13Å; T51-E54 PolarHBondContact N-OE2 3.2Å; T51-E54 WeakPolarHBondContact O-CB 3.47Å; T51-E54 PolarHBondContact O-N 3.14Å; T51-E54 WeakPolarHBondContact OG1-CB 3.37Å; T51-E54 WeakPolarHBondContact OG1-CG 3.36Å; T51-E54 PolarHBondContact OG1-N 2.92Å; T51-E54 PolarHBondContact OG1-OE2 3.48Å; T51-V55 WeakPolarHBondContact O-CG2 3.35Å; T51-V55 PolarHBondContact O-N 3.24Å; T51-E126 WeakPolarHBondContact CA-OE2 3.45Å; T51-E126 WeakPolarHBondContact CB-OE2 3.38Å
52E94.6Very high95.4Very high84 Ų8448.4 Ų48.439%0.39326%0.263SS..Hα-helixtrans-60.9-35.7175.4-68-57.412900111.2R44 E54 V55 I56 E126R44-E52 IonicContact CZ-OE1 3.18Å; R44-E52 IonicContact NH1-OE1 2.85Å; R44-E52 IonicContact NH2-OE1 2.83Å; R44-E52 PolarHBondContact NH2-OE1 2.73Å; E52-E54 VanDerWaalsContact C-N 3.34Å; E52-E54 PolarHBondContact O-N 3.15Å; E52-V55 PolarHBondContact O-N 2.83Å; E52-I56 WeakPolarHBondContact O-CB 3.48Å; E52-I56 WeakPolarHBondContact O-CD1 3.37Å; E52-I56 WeakPolarHBondContact O-CG1 3.37Å; E52-I56 PolarHBondContact O-N 3.46Å; E52-E126 VanDerWaalsContact N-CD 3.34Å; E52-E126 PolarHBondContact N-OE1 3.16Å; E52-E126 PolarHBondContact N-OE2 2.92Å
53A95.4Very high95.1Very high61 Ų6153 Ų5350%0.50429%0.285SS..Hα-helixtrans-59-42172.500000113T51 S57 E126T51-A53 PolarHBondContact O-N 3.13Å; A53-S57 PolarHBondContact O-N 3.01Å; A53-E126 PolarHBondContact N-OE1 3.46Å
54E96.7Very high94.8Very high54 Ų5453.8 Ų53.825%0.25229%0.289SS..Hα-helixtrans-69.2-40.4177.6-76.9165.614400112.6P50 T51 E52 S57 L58 R88 F89P50-E54 HydrophobicContact CB-CB 4.49Å; T51-E54 PolarHBondContact N-OE2 3.2Å; T51-E54 WeakPolarHBondContact O-CB 3.47Å; T51-E54 PolarHBondContact O-N 3.14Å; T51-E54 WeakPolarHBondContact OG1-CB 3.37Å; T51-E54 WeakPolarHBondContact OG1-CG 3.36Å; T51-E54 PolarHBondContact OG1-N 2.92Å; T51-E54 PolarHBondContact OG1-OE2 3.48Å; E52-E54 VanDerWaalsContact C-N 3.34Å; E52-E54 PolarHBondContact O-N 3.15Å; E54-S57 WeakPolarHBondContact O-CB 3.27Å; E54-S57 PolarHBondContact O-N 3.46Å; E54-L58 PolarHBondContact O-N 3Å; E54-R88 PolarHBondContact O-NH2 3.11Å; E54-F89 HydrophobicContact CB-CE1 4.13Å
55V97.2Very high94.5Very high11 Ų1156 Ų567%0.06731%0.309CS..Hα-helixtrans-59.2-49173.81780000109.6L39 I43 P50 T51 E52 S57 L58 V59L39-V55 HydrophobicContact CB-CG1 4.32Å; L39-V55 HydrophobicContact CD2-CG1 4.49Å; I43-V55 HydrophobicContact CD1-CG2 4.4Å; P50-V55 HydrophobicContact CB-CG2 3.8Å; P50-V55 HydrophobicContact CG-CG2 3.82Å; T51-V55 WeakPolarHBondContact O-CG2 3.35Å; T51-V55 PolarHBondContact O-N 3.24Å; E52-V55 PolarHBondContact O-N 2.83Å; V55-S57 VanDerWaalsContact C-N 3.3Å; V55-S57 PolarHBondContact O-N 3.34Å; V55-L58 PolarHBondContact O-N 3.33Å; V55-L58 VanDerWaalsContact O-N 3.14Å; V55-V59 HydrophobicContact CG1-CG2 4.41Å; V55-V59 WeakPolarHBondContact O-CG2 3.29Å; V55-V59 PolarHBondContact O-N 3.11Å
56I96Very high94.4Very high80 Ų8058.6 Ų58.641%0.4132%0.322SS..Hα-helixtrans-59.8-41.3178.3-69.1164.1000111.3E52 V59 R60E52-I56 WeakPolarHBondContact O-CB 3.48Å; E52-I56 WeakPolarHBondContact O-CD1 3.37Å; E52-I56 WeakPolarHBondContact O-CG1 3.37Å; E52-I56 PolarHBondContact O-N 3.46Å; I56-V59 PolarHBondContact O-N 2.95Å; I56-R60 WeakPolarHBondContact O-CG 3.41Å; I56-R60 PolarHBondContact O-N 3.38Å
57S96.2Very high94.3Very high46 Ų4661.3 Ų61.332%0.32234%0.341SS..Hα-helixtrans-61-47.7175.5-171.10000111.1A53 E54 V55 V59 R60 E61A53-S57 PolarHBondContact O-N 3.01Å; E54-S57 WeakPolarHBondContact O-CB 3.27Å; E54-S57 PolarHBondContact O-N 3.46Å; V55-S57 VanDerWaalsContact C-N 3.3Å; V55-S57 PolarHBondContact O-N 3.34Å; S57-V59 PolarHBondContact O-N 3.34Å; S57-R60 WeakPolarHBondContact O-CB 3.19Å; S57-R60 PolarHBondContact O-N 3.27Å; S57-R60 VanDerWaalsContact O-N 3.14Å; S57-E61 WeakPolarHBondContact O-CG 3.09Å; S57-E61 PolarHBondContact O-N 2.91Å; S57-E61 PolarHBondContact OG-OE1 3.04Å
58L96.9Very high94.5Very high1 Ų163.6 Ų63.61%0.00535%0.345CS..Hα-helixtrans-67-36-178.9-169.665.6000112.3L39 I43 E54 V55 R60 E61 L62 A79 M80 F89L39-L58 HydrophobicContact CD1-CD2 4.26Å; L39-L58 HydrophobicContact CD2-CB 3.98Å; L39-L58 HydrophobicContact CD2-CD2 3.93Å; L39-L58 HydrophobicContact CD2-CG 3.94Å; L39-L58 HydrophobicContact CG-CD2 4.35Å; I43-L58 HydrophobicContact CD1-CD2 3.97Å; E54-L58 PolarHBondContact O-N 3Å; V55-L58 PolarHBondContact O-N 3.33Å; V55-L58 VanDerWaalsContact O-N 3.14Å; L58-R60 VanDerWaalsContact C-N 3.29Å; L58-R60 PolarHBondContact O-N 3.45Å; L58-E61 HydrophobicContact CD1-CB 4.47Å; L58-E61 PolarHBondContact O-N 3.32Å; L58-L62 HydrophobicContact CD1-CD1 4.11Å; L58-L62 HydrophobicContact CD1-CG 4.27Å; L58-L62 HydrophobicContact CD2-CD1 4.26Å; L58-L62 HydrophobicContact CG-CD1 3.79Å; L58-L62 HydrophobicContact CG-CG 4.3Å; L58-L62 WeakPolarHBondContact O-CB 3.41Å; L58-L62 WeakPolarHBondContact O-CG 3.25Å; L58-L62 PolarHBondContact O-N 3.19Å; L58-A79 HydrophobicContact CD1-CB 4.33Å; L58-M80 HydrophobicContact CD2-CE 3.76Å; L58-F89 HydrophobicContact CD2-CZ 4.1Å
59V96.6Very high94.6Very high23 Ų2364.5 Ų64.514%0.13935%0.354CS..Hα-helixtrans-56.4-45.8171.5168.90000110.5F36 L39 V55 I56 S57 E61 L62 E63F36-V59 HydrophobicContact CB-CG1 3.89Å; F36-V59 HydrophobicContact CB-CG2 4.11Å; F36-V59 HydrophobicContact CD2-CG1 4.06Å; F36-V59 HydrophobicContact CD2-CG2 4.35Å; F36-V59 HydrophobicContact CG-CG1 4.11Å; L39-V59 HydrophobicContact CB-CG2 4.34Å; L39-V59 HydrophobicContact CD2-CB 4.42Å; L39-V59 HydrophobicContact CD2-CG2 3.54Å; V55-V59 HydrophobicContact CG1-CG2 4.41Å; V55-V59 WeakPolarHBondContact O-CG2 3.29Å; V55-V59 PolarHBondContact O-N 3.11Å; I56-V59 PolarHBondContact O-N 2.95Å; S57-V59 PolarHBondContact O-N 3.34Å; V59-E61 VanDerWaalsContact C-N 3.35Å; V59-E61 PolarHBondContact O-N 3.28Å; V59-L62 PolarHBondContact O-N 2.98Å; V59-E63 WeakPolarHBondContact O-CB 3.48Å; V59-E63 PolarHBondContact O-N 3.36Å
60R94.3Very high94.7Very high184 Ų18464.9 Ų64.969%0.69435%0.348SS*.Hα-helixtrans-66.3-36.6178.8-67.9170.4-178.7169.93.4112.6I56 S57 L58 L62I56-R60 WeakPolarHBondContact O-CG 3.41Å; I56-R60 PolarHBondContact O-N 3.38Å; S57-R60 WeakPolarHBondContact O-CB 3.19Å; S57-R60 PolarHBondContact O-N 3.27Å; S57-R60 VanDerWaalsContact O-N 3.14Å; L58-R60 VanDerWaalsContact C-N 3.29Å; L58-R60 PolarHBondContact O-N 3.45Å; R60-L62 VanDerWaalsContact C-N 3.29Å
61E95Very high94.8Very high99 Ų9964.7 Ų64.746%0.46335%0.346SS..Hα-helixtrans-65.6-33.9175.8-68.5159.7-135.100111.6S57 L58 V59 R88S57-E61 WeakPolarHBondContact O-CG 3.09Å; S57-E61 PolarHBondContact O-N 2.91Å; S57-E61 PolarHBondContact OG-OE1 3.04Å; L58-E61 HydrophobicContact CD1-CB 4.47Å; L58-E61 PolarHBondContact O-N 3.32Å; V59-E61 VanDerWaalsContact C-N 3.35Å; V59-E61 PolarHBondContact O-N 3.28Å; E61-R88 IonicContact OE1-CZ 2.89Å; E61-R88 IonicContact OE1-NH1 3.74Å; E61-R88 PolarHBondContact OE1-NH1 3.07Å; E61-R88 IonicContact OE1-NH2 3.61Å; E61-R88 PolarHBondContact OE1-NH2 2.75Å; E61-R88 IonicContact OE2-CZ 2.75Å; E61-R88 IonicContact OE2-NH1 3.05Å; E61-R88 PolarHBondContact OE2-NH1 3.26Å; E61-R88 IonicContact OE2-NH2 3.64Å
62L96.5Very high94.8Very high5 Ų564.6 Ų64.63%0.02634%0.344CS..Hα-helixtrans-97.7-7.3-174.8-68.8178.2000114.8L39 L58 V59 R60 I71 K75 F76 A79L39-L62 HydrophobicContact CD1-CD1 4.49Å; L39-L62 HydrophobicContact CD2-CD1 4.46Å; L58-L62 HydrophobicContact CD1-CD1 4.11Å; L58-L62 HydrophobicContact CD1-CG 4.27Å; L58-L62 HydrophobicContact CD2-CD1 4.26Å; L58-L62 HydrophobicContact CG-CD1 3.79Å; L58-L62 HydrophobicContact CG-CG 4.3Å; L58-L62 WeakPolarHBondContact O-CB 3.41Å; L58-L62 WeakPolarHBondContact O-CG 3.25Å; L58-L62 PolarHBondContact O-N 3.19Å; V59-L62 PolarHBondContact O-N 2.98Å; R60-L62 VanDerWaalsContact C-N 3.29Å; L62-I71 HydrophobicContact CB-CD1 4.41Å; L62-I71 HydrophobicContact CB-CG1 4.32Å; L62-I71 HydrophobicContact CB-CG2 4.06Å; L62-I71 HydrophobicContact CD1-CD1 4.35Å; L62-I71 HydrophobicContact CD1-CG2 3.94Å; L62-K75 VanDerWaalsContact CD2-C 3.5Å; L62-K75 HydrophobicContact CD2-CB 3.81Å; L62-K75 VanDerWaalsContact CD2-O 3.25Å; L62-K75 WeakPolarHBondContact CD2-O 3.36Å; L62-F76 HydrophobicContact CD1-CD2 4.21Å; L62-A79 HydrophobicContact CD2-CB 3.64Å; L62-A79 HydrophobicContact CG-CB 4.4Å
63E92.7Very high95Very high98 Ų9862.1 Ų62.146%0.45833%0.331SS..  trans-55.6144.4-174.3-164.1169.5-137.500111.9V59 P67 K75V59-E63 WeakPolarHBondContact O-CB 3.48Å; V59-E63 PolarHBondContact O-N 3.36Å; E63-P67 HydrophobicContact CG-CB 3.99Å; E63-P67 HydrophobicContact CG-CG 4.03Å; E63-P67 WeakPolarHBondContact OE1-CB 3.37Å; E63-K75 PolarHBondContact O-NZ 2.79Å
64N90.2Very high95Very high15 Ų1567.4 Ų67.48%0.0835%0.345CS..  trans-77.6154.8173.9-69.9-39.4000111.7P66 P67 N68 Y70 N72 K75N64-P66 VanDerWaalsContact C-C 3.42Å; N64-P66 CarbonylContact C-O 3.59Å; N64-P66 VanDerWaalsContact C-O 3.31Å; N64-P66 WeakPolarHBondContact CB-O 3.24Å; N64-P66 CarbonylContact O-C 3.58Å; N64-P67 VanDerWaalsContact O-CA 3.27Å; N64-P67 WeakPolarHBondContact O-CA 3.34Å; N64-P67 WeakPolarHBondContact O-CD 3.38Å; N64-N68 PolarHBondContact ND2-ND2 3.34Å; N64-N68 PolarHBondContact ND2-OD1 2.92Å; N64-Y70 PolarHBondContact ND2-O 3.2Å; N64-N72 VanDerWaalsContact CG-ND2 3.26Å; N64-N72 PolarHBondContact ND2-ND2 3.3Å; N64-N72 VanDerWaalsContact ND2-ND2 3.13Å; N64-N72 PolarHBondContact OD1-ND2 3.35Å; N64-K75 PolarHBondContact OD1-NZ 3Å
65D89.2Confident95Very high158 Ų15868.7 Ų68.785%0.84535%0.35SS*.SBendtrans-119.2107.9170.9-174.117.5000108.6
66P91.1Very high95Very high103 Ų10368.2 Ų68.267%0.66935%0.347SS*.SBendcis-73.3157.8-0.331.9-36000112.9N64 N68N64-P66 VanDerWaalsContact C-C 3.42Å; N64-P66 CarbonylContact C-O 3.59Å; N64-P66 VanDerWaalsContact C-O 3.31Å; N64-P66 WeakPolarHBondContact CB-O 3.24Å; N64-P66 CarbonylContact O-C 3.58Å; P66-N68 PolarHBondContact O-N 3.43Å
67P92.4Very high95.1Very high81 Ų8165.8 Ų65.853%0.52634%0.335SS..  trans-58.2131.2174.2-27.836.1000111.7E63 N64E63-P67 HydrophobicContact CG-CB 3.99Å; E63-P67 HydrophobicContact CG-CG 4.03Å; E63-P67 WeakPolarHBondContact OE1-CB 3.37Å; N64-P67 VanDerWaalsContact O-CA 3.27Å; N64-P67 WeakPolarHBondContact O-CA 3.34Å; N64-P67 WeakPolarHBondContact O-CD 3.38Å
68N93.9Very high95.1Very high83 Ų8367.2 Ų67.244%0.44434%0.343SS..  trans-127.82.7-17867.6-6.9000113.9N64 P66 Y70N64-N68 PolarHBondContact ND2-ND2 3.34Å; N64-N68 PolarHBondContact ND2-OD1 2.92Å; P66-N68 PolarHBondContact O-N 3.43Å; N68-Y70 VanDerWaalsContact C-N 3.33Å; N68-Y70 WeakPolarHBondContact O-CD2 3.49Å; N68-Y70 PolarHBondContact OD1-N 2.97Å; N68-Y70 PolarHBondContact OD1-O 2.96Å
69G95.4Very high95.1Very high27 Ų2768.1 Ų68.128%0.27835%0.351SS..SBendtrans85.31.2-178.100000114.9F36F36-G69 VanDerWaalsContact CD1-O 3.24Å; F36-G69 WeakPolarHBondContact CD1-O 3.29Å; F36-G69 PolarHBondContact N-O 2.98Å
70Y97.1Very high95.1Very high87 Ų8767 Ų6734%0.34134%0.344SS..EExtended strand (participates in β ladder)trans-124.7154.1-176.2-62.9-85.4000112.1I34 N64 N68I34-Y70 CarbonylContact O-C 3.31Å; I34-Y70 VanDerWaalsContact O-CA 3.29Å; I34-Y70 WeakPolarHBondContact O-CA 3.18Å; N64-Y70 PolarHBondContact ND2-O 3.2Å; N68-Y70 VanDerWaalsContact C-N 3.33Å; N68-Y70 WeakPolarHBondContact O-CD2 3.49Å; N68-Y70 PolarHBondContact OD1-N 2.97Å; N68-Y70 PolarHBondContact OD1-O 2.96Å
71I97.3Very high95.2Very high2 Ų259.9 Ų59.91%0.0132%0.319CS..EExtended strand (participates in β ladder)trans-110.3125.4173.7-64.9172.7000108.2T33 I34 F36 L39 L62 F76T33-I71 VanDerWaalsContact CA-O 3.23Å; T33-I71 WeakPolarHBondContact CA-O 3.46Å; I34-I71 HydrophobicContact CG1-CB 3.99Å; I34-I71 PolarHBondContact N-O 3.28Å; I34-I71 VanDerWaalsContact N-O 3.11Å; I34-I71 PolarHBondContact O-N 2.85Å; F36-I71 HydrophobicContact CB-CD1 4.01Å; F36-I71 HydrophobicContact CB-CG1 4.15Å; L39-I71 HydrophobicContact CB-CD1 4.09Å; L39-I71 HydrophobicContact CD1-CD1 4Å; L39-I71 HydrophobicContact CD2-CD1 3.77Å; L39-I71 HydrophobicContact CG-CD1 4.17Å; L62-I71 HydrophobicContact CB-CD1 4.41Å; L62-I71 HydrophobicContact CB-CG1 4.32Å; L62-I71 HydrophobicContact CB-CG2 4.06Å; L62-I71 HydrophobicContact CD1-CD1 4.35Å; L62-I71 HydrophobicContact CD1-CG2 3.94Å; I71-F76 HydrophobicContact CG2-CB 3.89Å; I71-F76 HydrophobicContact CG2-CD2 4.41Å
72N97.2Very high95.2Very high55 Ų5560.3 Ų60.329%0.29432%0.321SS..EExtended strand (participates in β ladder)trans-80.7137.3177.6-72.3-58.4000111.1T33 N64 E74 K75 F76T33-N72 VanDerWaalsContact CG2-OD1 3.3Å; T33-N72 WeakPolarHBondContact CG2-OD1 3.38Å; N64-N72 VanDerWaalsContact CG-ND2 3.26Å; N64-N72 PolarHBondContact ND2-ND2 3.3Å; N64-N72 VanDerWaalsContact ND2-ND2 3.13Å; N64-N72 PolarHBondContact OD1-ND2 3.35Å; N72-E74 PolarHBondContact O-N 2.99Å; N72-K75 PolarHBondContact O-N 3.17Å; N72-F76 PolarHBondContact O-N 2.9Å
73Y97.6Very high95.2Very high31 Ų3160.2 Ų60.212%0.12232%0.321CS..Hα-helixtrans-52.2-40.9177.7-178.1-106.1000113R20 F23 K32 K75 F76 L77R20-Y73 HydrophobicContact CB-CE2 4.39Å; R20-Y73 WeakPolarHBondContact CB-OH 3.29Å; R20-Y73 HydrophobicContact CG-CE2 4.2Å; R20-Y73 VanDerWaalsContact CG-OH 3.3Å; R20-Y73 WeakPolarHBondContact CG-OH 3.5Å; F23-Y73 HydrophobicContact CB-CD2 4.06Å; F23-Y73 HydrophobicContact CB-CE2 4.11Å; F23-Y73 AromaticContact CD1-CD2 3.49Å; F23-Y73 HydrophobicContact CD1-CD2 3.49Å; F23-Y73 VanDerWaalsContact CD1-CD2 3.49Å; F23-Y73 HydrophobicContact CD1-CE2 4.26Å; F23-Y73 HydrophobicContact CD1-CG 4.26Å; F23-Y73 AromaticContact CD2-CD2 3.9Å; F23-Y73 HydrophobicContact CD2-CD2 3.9Å; F23-Y73 AromaticContact CE1-CD2 3.81Å; F23-Y73 HydrophobicContact CE1-CD2 3.81Å; F23-Y73 HydrophobicContact CE1-CG 4.17Å; F23-Y73 HydrophobicContact CE2-CD2 4.14Å; F23-Y73 AromaticContact CG-CD2 3.53Å; F23-Y73 HydrophobicContact CG-CD2 3.53Å; F23-Y73 HydrophobicContact CG-CE2 4.1Å; F23-Y73 HydrophobicContact CZ-CD2 4.1Å; F23-Y73 HydrophobicContact CZ-CG 4.4Å; K32-Y73 PolarHBondContact O-N 3.07Å; Y73-K75 PolarHBondContact O-N 3.43Å; Y73-F76 HydrophobicContact CD2-CD1 4.4Å; Y73-F76 PolarHBondContact O-N 3.49Å; Y73-F76 VanDerWaalsContact O-N 3.16Å; Y73-L77 HydrophobicContact CE1-CB 4.35Å; Y73-L77 HydrophobicContact CE1-CD2 4.06Å; Y73-L77 HydrophobicContact CE2-CB 4.28Å; Y73-L77 PolarHBondContact O-N 2.98Å; Y73-L77 WeakPolarHBondContact OH-CD2 3.42Å
74E96.4Very high95.1Very high173 Ų17357.4 Ų57.481%0.80831%0.308SS*.Hα-helixtrans-62.3-28.6-178.9-62.9-175.4169.600113.5N72 P78N72-E74 PolarHBondContact O-N 2.99Å; E74-P78 WeakPolarHBondContact O-CD 3.14Å; E74-P78 VanDerWaalsContact O-CG 3.31Å; E74-P78 WeakPolarHBondContact O-CG 3.3Å
75K96.3Very high95.2Very high81 Ų8163.5 Ų63.535%0.35234%0.336SS..Hα-helixtrans-87-40172.5-67.2-178.8173176.60111.3L62 E63 N64 N72 Y73 P78 A79L62-K75 VanDerWaalsContact CD2-C 3.5Å; L62-K75 HydrophobicContact CD2-CB 3.81Å; L62-K75 VanDerWaalsContact CD2-O 3.25Å; L62-K75 WeakPolarHBondContact CD2-O 3.36Å; E63-K75 PolarHBondContact O-NZ 2.79Å; N64-K75 PolarHBondContact OD1-NZ 3Å; N72-K75 PolarHBondContact O-N 3.17Å; Y73-K75 PolarHBondContact O-N 3.43Å; K75-P78 WeakPolarHBondContact O-CD 3.48Å; K75-P78 WeakPolarHBondContact O-CG 3.44Å; K75-A79 WeakPolarHBondContact O-CB 3.33Å; K75-A79 PolarHBondContact O-N 3.31Å
76F97.6Very high95.4Very high0 Ų061.6 Ų61.60%032%0.322CS..Hα-helixtrans-61.2-52.7-177.1172.3-98.3000112.5I19 F23 L39 V42 L46 L62 I71 N72 Y73 A79 M80I19-F76 HydrophobicContact CG2-CD1 4.15Å; I19-F76 HydrophobicContact CG2-CE1 3.42Å; I19-F76 VanDerWaalsContact CG2-CE1 3.42Å; I19-F76 HydrophobicContact CG2-CZ 4.21Å; F23-F76 HydrophobicContact CB-CD1 4.41Å; F23-F76 HydrophobicContact CB-CE1 4.03Å; F23-F76 HydrophobicContact CD2-CB 4.32Å; F23-F76 AromaticContact CD2-CD1 3.3Å; F23-F76 HydrophobicContact CD2-CD1 3.3Å; F23-F76 HydrophobicContact CD2-CD2 4.33Å; F23-F76 AromaticContact CD2-CE1 3.54Å; F23-F76 HydrophobicContact CD2-CE1 3.54Å; F23-F76 AromaticContact CD2-CG 3.73Å; F23-F76 HydrophobicContact CD2-CG 3.73Å; F23-F76 HydrophobicContact CD2-CZ 4.18Å; F23-F76 HydrophobicContact CE2-CB 3.96Å; F23-F76 AromaticContact CE2-CD1 3.84Å; F23-F76 HydrophobicContact CE2-CD1 3.84Å; F23-F76 HydrophobicContact CE2-CD2 4.45Å; F23-F76 HydrophobicContact CE2-CE1 4.45Å; F23-F76 AromaticContact CE2-CG 3.83Å; F23-F76 HydrophobicContact CE2-CG 3.83Å; F23-F76 HydrophobicContact CG-CD1 4.18Å; F23-F76 HydrophobicContact CG-CE1 4.23Å; L39-F76 HydrophobicContact CD1-CD2 3.98Å; L39-F76 HydrophobicContact CD1-CE2 3.71Å; V42-F76 HydrophobicContact CG1-CE2 3.86Å; V42-F76 HydrophobicContact CG1-CZ 3.5Å; L46-F76 HydrophobicContact CD1-CZ 4.39Å; L62-F76 HydrophobicContact CD1-CD2 4.21Å; I71-F76 HydrophobicContact CG2-CB 3.89Å; I71-F76 HydrophobicContact CG2-CD2 4.41Å; N72-F76 PolarHBondContact O-N 2.9Å; Y73-F76 HydrophobicContact CD2-CD1 4.4Å; Y73-F76 PolarHBondContact O-N 3.49Å; Y73-F76 VanDerWaalsContact O-N 3.16Å; F76-A79 PolarHBondContact O-N 3.32Å; F76-M80 HydrophobicContact CD2-CE 4.22Å; F76-M80 HydrophobicContact CE1-CB 4.32Å; F76-M80 HydrophobicContact CE1-CG 4.47Å; F76-M80 HydrophobicContact CE2-CB 4.39Å; F76-M80 HydrophobicContact CE2-CE 3.37Å; F76-M80 HydrophobicContact CE2-CG 4.46Å; F76-M80 HydrophobicContact CZ-CB 4.17Å; F76-M80 HydrophobicContact CZ-CE 3.76Å; F76-M80 HydrophobicContact CZ-CG 4.04Å; F76-M80 VanDerWaalsContact O-CB 3.32Å; F76-M80 WeakPolarHBondContact O-CB 3.35Å; F76-M80 PolarHBondContact O-N 3.25Å
77L97.4Very high95.5Very high29 Ų2962.6 Ų62.615%0.15232%0.316CS..Hα-helixtrans-55.1-55.2-174.4-179.467.8000113E16 I19 Y73 A79 M80 M81E16-L77 HydrophobicContact CG-CD1 3.86Å; E16-L77 HydrophobicContact CG-CD2 4.08Å; E16-L77 HydrophobicContact CG-CG 4.44Å; I19-L77 HydrophobicContact CB-CD1 4.07Å; I19-L77 HydrophobicContact CG2-CD1 3.59Å; Y73-L77 HydrophobicContact CE1-CB 4.35Å; Y73-L77 HydrophobicContact CE1-CD2 4.06Å; Y73-L77 HydrophobicContact CE2-CB 4.28Å; Y73-L77 PolarHBondContact O-N 2.98Å; Y73-L77 WeakPolarHBondContact OH-CD2 3.42Å; L77-A79 VanDerWaalsContact C-N 3.34Å; L77-A79 PolarHBondContact O-N 3.05Å; L77-M80 PolarHBondContact O-N 2.77Å; L77-M81 HydrophobicContact CD1-CG 4.21Å; L77-M81 HydrophobicContact CG-CG 4.44Å; L77-M81 WeakPolarHBondContact O-CB 3.4Å; L77-M81 VanDerWaalsContact O-CG 3.26Å; L77-M81 WeakPolarHBondContact O-CG 3.39Å; L77-M81 PolarHBondContact O-N 3.41Å
78P96Very high95.6Very high76 Ų7661.6 Ų61.649%0.49430%0.302SS..Hα-helixtrans-64.5-37.4-179.124.2-34000112.8E74 K75 Q82E74-P78 WeakPolarHBondContact O-CD 3.14Å; E74-P78 VanDerWaalsContact O-CG 3.31Å; E74-P78 WeakPolarHBondContact O-CG 3.3Å; K75-P78 WeakPolarHBondContact O-CD 3.48Å; K75-P78 WeakPolarHBondContact O-CG 3.44Å; P78-Q82 WeakPolarHBondContact O-CB 3.22Å; P78-Q82 PolarHBondContact O-N 2.84Å
79A97Very high95.7Very high20 Ų2057.9 Ų57.917%0.16528%0.282CS..Hα-helixtrans-66.3-40.3176.800000111.7L58 L62 K75 F76 L77 Q82 A83L58-A79 HydrophobicContact CD1-CB 4.33Å; L62-A79 HydrophobicContact CD2-CB 3.64Å; L62-A79 HydrophobicContact CG-CB 4.4Å; K75-A79 WeakPolarHBondContact O-CB 3.33Å; K75-A79 PolarHBondContact O-N 3.31Å; F76-A79 PolarHBondContact O-N 3.32Å; L77-A79 VanDerWaalsContact C-N 3.34Å; L77-A79 PolarHBondContact O-N 3.05Å; A79-Q82 PolarHBondContact O-N 3.02Å; A79-A83 VanDerWaalsContact O-CB 3.3Å; A79-A83 WeakPolarHBondContact O-CB 3.41Å; A79-A83 PolarHBondContact O-N 2.98Å
80M97.2Very high95.5Very high0 Ų061.9 Ų61.90%029%0.293CS..Hα-helixtrans-70-43178.9-166.155.165.100111.6I19 L39 I43 L46 L58 F76 L77 Q82 A83 M84 F89I19-M80 HydrophobicContact CD1-CB 4.16Å; I19-M80 HydrophobicContact CD1-CG 3.82Å; I19-M80 HydrophobicContact CG1-CG 4.13Å; I19-M80 HydrophobicContact CG2-CB 4.24Å; I19-M80 HydrophobicContact CG2-CG 4.16Å; L39-M80 HydrophobicContact CD1-CE 4.5Å; I43-M80 HydrophobicContact CD1-CE 4.22Å; I43-M80 HydrophobicContact CG1-CE 3.54Å; I43-M80 HydrophobicContact CG1-SD 4.31Å; L46-M80 HydrophobicContact CD1-CG 3.95Å; L46-M80 HydrophobicContact CD1-SD 4.25Å; L58-M80 HydrophobicContact CD2-CE 3.76Å; F76-M80 HydrophobicContact CD2-CE 4.22Å; F76-M80 HydrophobicContact CE1-CB 4.32Å; F76-M80 HydrophobicContact CE1-CG 4.47Å; F76-M80 HydrophobicContact CE2-CB 4.39Å; F76-M80 HydrophobicContact CE2-CE 3.37Å; F76-M80 HydrophobicContact CE2-CG 4.46Å; F76-M80 HydrophobicContact CZ-CB 4.17Å; F76-M80 HydrophobicContact CZ-CE 3.76Å; F76-M80 HydrophobicContact CZ-CG 4.04Å; F76-M80 VanDerWaalsContact O-CB 3.32Å; F76-M80 WeakPolarHBondContact O-CB 3.35Å; F76-M80 PolarHBondContact O-N 3.25Å; L77-M80 PolarHBondContact O-N 2.77Å; M80-Q82 VanDerWaalsContact C-N 3.31Å; M80-Q82 PolarHBondContact O-N 3.45Å; M80-A83 PolarHBondContact O-N 2.88Å; M80-M84 HydrophobicContact CG-CE 4.39Å; M80-M84 HydrophobicContact CG-CG 4.35Å; M80-M84 WeakPolarHBondContact O-CB 3.41Å; M80-M84 VanDerWaalsContact O-CG 3.22Å; M80-M84 WeakPolarHBondContact O-CG 3.41Å; M80-M84 PolarHBondContact O-N 3.24Å; M80-M84 HydrophobicContact SD-CE 3.76Å; M80-M84 HydrophobicContact SD-CG 4.29Å; M80-F89 HydrophobicContact CE-CE2 4.5Å; M80-F89 HydrophobicContact SD-CD2 4.49Å; M80-F89 HydrophobicContact SD-CE2 3.97Å
81M95.2Very high95.2Very high34 Ų3460.1 Ų60.117%0.16729%0.292CS..Hα-helixtrans-54.7-49.2172.6-73.8-67.3-65.500110.8N12 L15 E16 I19 L77 M84 E85N12-M81 HydrophobicContact CB-CE 4.28Å; N12-M81 WeakPolarHBondContact OD1-CE 3.39Å; L15-M81 HydrophobicContact CB-SD 4.44Å; L15-M81 HydrophobicContact CD2-CE 4.29Å; L15-M81 HydrophobicContact CD2-SD 3.93Å; L15-M81 HydrophobicContact CG-SD 3.91Å; E16-M81 HydrophobicContact CB-SD 4.19Å; I19-M81 HydrophobicContact CD1-CG 4.1Å; I19-M81 HydrophobicContact CD1-SD 3.63Å; L77-M81 HydrophobicContact CD1-CG 4.21Å; L77-M81 HydrophobicContact CG-CG 4.44Å; L77-M81 WeakPolarHBondContact O-CB 3.4Å; L77-M81 VanDerWaalsContact O-CG 3.26Å; L77-M81 WeakPolarHBondContact O-CG 3.39Å; L77-M81 PolarHBondContact O-N 3.41Å; M81-M84 PolarHBondContact O-N 2.96Å; M81-E85 WeakPolarHBondContact O-CB 3.41Å; M81-E85 PolarHBondContact O-N 3.46Å
82Q95.3Very high94.9Very high109 Ų10962 Ų6251%0.50931%0.308SS..Hα-helixtrans-62.7-44.7177.5177.817569.100112.4P78 A79 M80 M84 E85 Q86P78-Q82 WeakPolarHBondContact O-CB 3.22Å; P78-Q82 PolarHBondContact O-N 2.84Å; A79-Q82 PolarHBondContact O-N 3.02Å; M80-Q82 VanDerWaalsContact C-N 3.31Å; M80-Q82 PolarHBondContact O-N 3.45Å; Q82-M84 VanDerWaalsContact C-N 3.33Å; Q82-M84 PolarHBondContact O-N 3.41Å; Q82-E85 PolarHBondContact O-N 3.44Å; Q82-Q86 HydrophobicContact CG-CG 4.44Å; Q82-Q86 VanDerWaalsContact CG-NE2 3.35Å; Q82-Q86 WeakPolarHBondContact O-CB 3.41Å; Q82-Q86 VanDerWaalsContact O-CG 3.24Å; Q82-Q86 WeakPolarHBondContact O-CG 3.01Å; Q82-Q86 PolarHBondContact O-N 3.34Å
83A95.7Very high94.7Very high3 Ų363 Ų633%0.02532%0.318CS..Hα-helixtrans-64-39.3-179.100000112.2A79 M80 Q86 K87 R88 F89A79-A83 VanDerWaalsContact O-CB 3.3Å; A79-A83 WeakPolarHBondContact O-CB 3.41Å; A79-A83 PolarHBondContact O-N 2.98Å; M80-A83 PolarHBondContact O-N 2.88Å; A83-Q86 CarbonylContact O-C 3.54Å; A83-Q86 PolarHBondContact O-N 2.97Å; A83-K87 PolarHBondContact O-N 3.41Å; A83-R88 HydrophobicContact CB-CB 4.2Å; A83-R88 WeakPolarHBondContact O-CB 3.44Å; A83-R88 PolarHBondContact O-N 3.34Å; A83-F89 HydrophobicContact CB-CD2 4.35Å; A83-F89 HydrophobicContact CB-CE2 3.54Å; A83-F89 HydrophobicContact CB-CZ 3.96Å
84M92Very high94.5Very high39 Ų3966.3 Ų66.319%0.19233%0.334CS..Hα-helixtrans-69.6-42.7176.9-68.1-64.3-175.200111.8L15 L46 M80 M81 Q82 Q86 K87 F89L15-M84 HydrophobicContact CD1-CG 4.49Å; L15-M84 HydrophobicContact CD2-CB 3.91Å; L46-M84 HydrophobicContact CB-CE 3.6Å; L46-M84 HydrophobicContact CD1-CE 4.03Å; L46-M84 HydrophobicContact CG-CE 4.43Å; M80-M84 HydrophobicContact CG-CE 4.39Å; M80-M84 HydrophobicContact CG-CG 4.35Å; M80-M84 WeakPolarHBondContact O-CB 3.41Å; M80-M84 VanDerWaalsContact O-CG 3.22Å; M80-M84 WeakPolarHBondContact O-CG 3.41Å; M80-M84 PolarHBondContact O-N 3.24Å; M80-M84 HydrophobicContact SD-CE 3.76Å; M80-M84 HydrophobicContact SD-CG 4.29Å; M81-M84 PolarHBondContact O-N 2.96Å; Q82-M84 VanDerWaalsContact C-N 3.33Å; Q82-M84 PolarHBondContact O-N 3.41Å; M84-Q86 VanDerWaalsContact C-N 3.27Å; M84-Q86 PolarHBondContact O-N 3.1Å; M84-K87 PolarHBondContact O-N 3.32Å; M84-F89 HydrophobicContact CE-CD2 4.4Å; M84-F89 HydrophobicContact SD-CD2 4.48Å
85E91.7Very high94.4Very high143 Ų14363.1 Ų63.167%0.66832%0.319SS*.Hα-helixtrans-60.6-38.3174.2-173.9-178.7-164.400111.6M81 Q82 K87M81-E85 WeakPolarHBondContact O-CB 3.41Å; M81-E85 PolarHBondContact O-N 3.46Å; Q82-E85 PolarHBondContact O-N 3.44Å; E85-K87 PolarHBondContact O-N 2.91Å
86Q93.8Very high94.3Very high118 Ų11865 Ų6555%0.55133%0.329SS*.THydrogen-bonded Turntrans-791176.1-69.21765.200113.7Q82 A83 M84 R88Q82-Q86 HydrophobicContact CG-CG 4.44Å; Q82-Q86 VanDerWaalsContact CG-NE2 3.35Å; Q82-Q86 WeakPolarHBondContact O-CB 3.41Å; Q82-Q86 VanDerWaalsContact O-CG 3.24Å; Q82-Q86 WeakPolarHBondContact O-CG 3.01Å; Q82-Q86 PolarHBondContact O-N 3.34Å; A83-Q86 CarbonylContact O-C 3.54Å; A83-Q86 PolarHBondContact O-N 2.97Å; M84-Q86 VanDerWaalsContact C-N 3.27Å; M84-Q86 PolarHBondContact O-N 3.1Å; Q86-R88 PolarHBondContact O-N 3.01Å; Q86-R88 VanDerWaalsContact O-N 3.15Å
87K92.4Very high94.2Very high123 Ų12366.9 Ų66.954%0.53534%0.339SS..THydrogen-bonded Turntrans54.531.5-178.3-64.6164.4153.2-104.60112.6A83 M84 E85 F89 E90A83-K87 PolarHBondContact O-N 3.41Å; M84-K87 PolarHBondContact O-N 3.32Å; E85-K87 PolarHBondContact O-N 2.91Å; K87-F89 PolarHBondContact O-N 3.5Å; K87-F89 VanDerWaalsContact O-N 3.14Å; K87-E90 HydrophobicContact CB-CB 4.05Å; K87-E90 WeakPolarHBondContact CB-OE2 3.36Å; K87-E90 VanDerWaalsContact CD-OE2 3.29Å; K87-E90 WeakPolarHBondContact CD-OE2 2.99Å; K87-E90 IonicContact NZ-OE1 2.89Å; K87-E90 PolarHBondContact NZ-OE1 3Å; K87-E90 IonicContact NZ-OE2 2.76Å; K87-E90 PolarHBondContact NZ-OE2 3.41Å; K87-E90 PolarHBondContact O-N 3.4Å
88R94.9Very high94.1Very high60 Ų6067 Ų6723%0.22634%0.34CS..THydrogen-bonded Turntrans-59-30.1-174.9-174178.2165.9171.4-4.2112.3E54 E61 A83 Q86E54-R88 PolarHBondContact O-NH2 3.11Å; E61-R88 IonicContact OE1-CZ 2.89Å; E61-R88 IonicContact OE1-NH1 3.74Å; E61-R88 PolarHBondContact OE1-NH1 3.07Å; E61-R88 IonicContact OE1-NH2 3.61Å; E61-R88 PolarHBondContact OE1-NH2 2.75Å; E61-R88 IonicContact OE2-CZ 2.75Å; E61-R88 IonicContact OE2-NH1 3.05Å; E61-R88 PolarHBondContact OE2-NH1 3.26Å; E61-R88 IonicContact OE2-NH2 3.64Å; A83-R88 HydrophobicContact CB-CB 4.2Å; A83-R88 WeakPolarHBondContact O-CB 3.44Å; A83-R88 PolarHBondContact O-N 3.34Å; Q86-R88 PolarHBondContact O-N 3.01Å; Q86-R88 VanDerWaalsContact O-N 3.15Å
89F95.1Very high94Very high5 Ų568.6 Ų68.62%0.02234%0.339CS..THydrogen-bonded Turntrans-11721.1-176.7-44-53.6000112.5I43 G48 V49 P50 E54 L58 M80 A83 M84 K87I43-F89 HydrophobicContact CD1-CE2 4.24Å; I43-F89 HydrophobicContact CD1-CZ 4.19Å; I43-F89 HydrophobicContact CG1-CE2 4.41Å; I43-F89 HydrophobicContact CG2-CB 4.09Å; I43-F89 HydrophobicContact CG2-CD1 4.47Å; I43-F89 HydrophobicContact CG2-CD2 3.54Å; I43-F89 HydrophobicContact CG2-CE2 4.05Å; I43-F89 HydrophobicContact CG2-CG 3.78Å; G48-F89 CarbonylContact C-O 3.55Å; G48-F89 WeakPolarHBondContact CA-O 3.4Å; V49-F89 PolarHBondContact N-O 2.73Å; P50-F89 HydrophobicContact CB-CD1 3.74Å; P50-F89 HydrophobicContact CB-CE1 4.17Å; P50-F89 HydrophobicContact CB-CG 4.31Å; E54-F89 HydrophobicContact CB-CE1 4.13Å; L58-F89 HydrophobicContact CD2-CZ 4.1Å; M80-F89 HydrophobicContact CE-CE2 4.5Å; M80-F89 HydrophobicContact SD-CD2 4.49Å; M80-F89 HydrophobicContact SD-CE2 3.97Å; A83-F89 HydrophobicContact CB-CD2 4.35Å; A83-F89 HydrophobicContact CB-CE2 3.54Å; A83-F89 HydrophobicContact CB-CZ 3.96Å; M84-F89 HydrophobicContact CE-CD2 4.4Å; M84-F89 HydrophobicContact SD-CD2 4.48Å; K87-F89 PolarHBondContact O-N 3.5Å; K87-F89 VanDerWaalsContact O-N 3.14Å
90E92.1Very high93.8Very high111 Ų11169.9 Ų69.952%0.51935%0.349SS..PPolyproline II helixtrans-65134.8-179.6-169.3168.7-148.700110K87K87-E90 HydrophobicContact CB-CB 4.05Å; K87-E90 WeakPolarHBondContact CB-OE2 3.36Å; K87-E90 VanDerWaalsContact CD-OE2 3.29Å; K87-E90 WeakPolarHBondContact CD-OE2 2.99Å; K87-E90 IonicContact NZ-OE1 2.89Å; K87-E90 PolarHBondContact NZ-OE1 3Å; K87-E90 IonicContact NZ-OE2 2.76Å; K87-E90 PolarHBondContact NZ-OE2 3.41Å; K87-E90 PolarHBondContact O-N 3.4Å
91P90.4Very high93.7Very high50 Ų5070.8 Ų70.833%0.32535%0.353SS..PPolyproline II helixtrans-57149.6173.3-13.920000111.5V49 N161V49-P91 HydrophobicContact CG2-CB 3.8Å; V49-P91 HydrophobicContact CG2-CG 3.59Å; P91-N161 WeakPolarHBondContact CG-ND2 3.17Å
92A91.2Very high93.7Very high41 Ų4172.3 Ų72.334%0.33936%0.362SS..PPolyproline II helixtrans-58.3137.1171.300000110.3L97A92-L97 HydrophobicContact CB-CD2 3.94Å; A92-L97 HydrophobicContact CB-CG 4.05Å
93P92.5Very high93.6Very high77 Ų7773.4 Ų73.450%0.537%0.37SS..PPolyproline II helixtrans-63.8151.8178.926.4-33.4000110.9E95 E96 L97P93-E95 PolarHBondContact O-N 3.27Å; P93-E96 HydrophobicContact CG-CB 3.86Å; P93-E96 WeakPolarHBondContact O-CB 3.44Å; P93-E96 PolarHBondContact O-N 3.28Å; P93-L97 PolarHBondContact O-N 3.49Å; P93-L97 VanDerWaalsContact O-N 3.1Å
94E94.1Very high93.4Very high100 Ų10075.4 Ų75.447%0.46738%0.38SS..Hα-helixtrans-45.6-43.9179.5165.6167.7-179.700112.9E96 L97 L98 V154E94-E96 VanDerWaalsContact C-N 3.32Å; E94-E96 PolarHBondContact O-N 3.36Å; E94-L97 PolarHBondContact O-N 2.93Å; E94-L98 WeakPolarHBondContact O-CB 3.36Å; E94-L98 PolarHBondContact O-N 2.86Å; E94-V154 HydrophobicContact CB-CG1 4.18Å; E94-V154 HydrophobicContact CG-CG1 3.7Å
95E94.6Very high93.6Very high107 Ų10773.7 Ų73.750%0.537%0.371SS..Hα-helixtrans-65.1-33-179.3178.161.7-168.800113.2P93 K99P93-E95 PolarHBondContact O-N 3.27Å; E95-K99 WeakPolarHBondContact O-CD 3.22Å; E95-K99 VanDerWaalsContact O-CG 3.27Å; E95-K99 WeakPolarHBondContact O-CG 3.47Å; E95-K99 PolarHBondContact O-N 3.14Å; E95-K99 VanDerWaalsContact O-N 3.16Å; E95-K99 WeakPolarHBondContact OE1-CE 3.38Å; E95-K99 IonicContact OE1-NZ 2.76Å; E95-K99 PolarHBondContact OE1-NZ 2.99Å
96E94.9Very high93.6Very high119 Ų11971.6 Ų71.656%0.55637%0.373SS*.Hα-helixtrans-76.6-42.6177.3-175.5164.7-174.600111.3P93 E94 L98 K99 A100P93-E96 HydrophobicContact CG-CB 3.86Å; P93-E96 WeakPolarHBondContact O-CB 3.44Å; P93-E96 PolarHBondContact O-N 3.28Å; E94-E96 VanDerWaalsContact C-N 3.32Å; E94-E96 PolarHBondContact O-N 3.36Å; E96-L98 VanDerWaalsContact C-N 3.31Å; E96-L98 PolarHBondContact O-N 3.17Å; E96-K99 WeakPolarHBondContact O-CB 3.45Å; E96-K99 PolarHBondContact O-N 3.36Å; E96-A100 PolarHBondContact O-N 3.45Å
97L94.2Very high93.6Very high41 Ų4172.5 Ų72.522%0.21538%0.377CS..Hα-helixtrans-58-45.9172.3-66.9174.6000111A92 P93 E94 K99 A100 F101 V154 L157A92-L97 HydrophobicContact CB-CD2 3.94Å; A92-L97 HydrophobicContact CB-CG 4.05Å; P93-L97 PolarHBondContact O-N 3.49Å; P93-L97 VanDerWaalsContact O-N 3.1Å; E94-L97 PolarHBondContact O-N 2.93Å; L97-K99 VanDerWaalsContact C-N 3.32Å; L97-K99 PolarHBondContact O-N 2.89Å; L97-A100 WeakPolarHBondContact O-CB 3.33Å; L97-A100 PolarHBondContact O-N 2.96Å; L97-A100 VanDerWaalsContact O-N 3.17Å; L97-F101 VanDerWaalsContact O-CD2 3.26Å; L97-F101 WeakPolarHBondContact O-CD2 3.35Å; L97-F101 PolarHBondContact O-N 2.93Å; L97-F101 VanDerWaalsContact O-N 3.12Å; L97-V154 HydrophobicContact CB-CG1 3.95Å; L97-V154 HydrophobicContact CB-CG2 3.87Å; L97-V154 HydrophobicContact CD1-CG1 4.33Å; L97-L157 HydrophobicContact CD1-CB 4.37Å; L97-L157 HydrophobicContact CD1-CD1 4.38Å
98L95.5Very high93.6Very high31 Ų3175.2 Ų75.216%0.16239%0.389CS..Hα-helixtrans-60.7-41.1178.1-177.860.5000111.9E94 E96 F101 L102 Y150 R151E94-L98 WeakPolarHBondContact O-CB 3.36Å; E94-L98 PolarHBondContact O-N 2.86Å; E96-L98 VanDerWaalsContact C-N 3.31Å; E96-L98 PolarHBondContact O-N 3.17Å; L98-F101 PolarHBondContact O-N 3.02Å; L98-L102 HydrophobicContact CD1-CD1 4.49Å; L98-L102 HydrophobicContact CD1-CG 4.47Å; L98-L102 HydrophobicContact CG-CD1 4.06Å; L98-L102 HydrophobicContact CG-CG 4.5Å; L98-L102 WeakPolarHBondContact O-CB 3.33Å; L98-L102 VanDerWaalsContact O-CG 3.26Å; L98-L102 WeakPolarHBondContact O-CG 3.48Å; L98-L102 PolarHBondContact O-N 3.37Å; L98-Y150 HydrophobicContact CD1-CD2 3.95Å; L98-Y150 HydrophobicContact CD1-CE2 3.72Å; L98-R151 HydrophobicContact CD1-CG 3.84Å
99K95Very high93.7Very high110 Ų11077.2 Ų77.248%0.47840%0.399SS..Hα-helixtrans-61.7-42.1175.2-77.6168.1-174.8157.60112.1E95 E96 L97 F101 L102 I103E95-K99 WeakPolarHBondContact O-CD 3.22Å; E95-K99 VanDerWaalsContact O-CG 3.27Å; E95-K99 WeakPolarHBondContact O-CG 3.47Å; E95-K99 PolarHBondContact O-N 3.14Å; E95-K99 VanDerWaalsContact O-N 3.16Å; E95-K99 WeakPolarHBondContact OE1-CE 3.38Å; E95-K99 IonicContact OE1-NZ 2.76Å; E95-K99 PolarHBondContact OE1-NZ 2.99Å; E96-K99 WeakPolarHBondContact O-CB 3.45Å; E96-K99 PolarHBondContact O-N 3.36Å; L97-K99 VanDerWaalsContact C-N 3.32Å; L97-K99 PolarHBondContact O-N 2.89Å; K99-F101 PolarHBondContact O-N 3.27Å; K99-L102 PolarHBondContact O-N 3.5Å; K99-I103 WeakPolarHBondContact O-CG1 3.48Å; K99-I103 PolarHBondContact O-N 3.22Å; K99-I103 VanDerWaalsContact O-N 3.08Å
100A92.8Very high93.7Very high46 Ų4677.7 Ų77.738%0.3841%0.405SS..Hα-helixtrans-59.3-47177.200000111.2E96 L97 L102 I103 L104E96-A100 PolarHBondContact O-N 3.45Å; L97-A100 WeakPolarHBondContact O-CB 3.33Å; L97-A100 PolarHBondContact O-N 2.96Å; L97-A100 VanDerWaalsContact O-N 3.17Å; A100-L102 PolarHBondContact O-N 3.5Å; A100-I103 PolarHBondContact O-N 3.27Å; A100-L104 PolarHBondContact O-N 3.43Å
101F95.3Very high93.9Very high19 Ų1975.4 Ų75.48%0.08339%0.394CS..Hα-helixtrans-65-36.5176.2-77.8-71.5000113.4L97 L98 K99 I103 L104 D105 L112 L117 Y150 F153 V154L97-F101 VanDerWaalsContact O-CD2 3.26Å; L97-F101 WeakPolarHBondContact O-CD2 3.35Å; L97-F101 PolarHBondContact O-N 2.93Å; L97-F101 VanDerWaalsContact O-N 3.12Å; L98-F101 PolarHBondContact O-N 3.02Å; K99-F101 PolarHBondContact O-N 3.27Å; F101-I103 VanDerWaalsContact C-N 3.27Å; F101-I103 PolarHBondContact O-N 3.11Å; F101-L104 PolarHBondContact O-N 3.48Å; F101-D105 PolarHBondContact O-N 3.08Å; F101-L112 HydrophobicContact CD1-CD1 3.66Å; F101-L112 HydrophobicContact CE1-CD1 4.15Å; F101-L117 HydrophobicContact CE1-CD1 4.09Å; F101-Y150 HydrophobicContact CB-CD1 4.28Å; F101-Y150 HydrophobicContact CB-CD2 3.49Å; F101-Y150 VanDerWaalsContact CB-CD2 3.49Å; F101-Y150 HydrophobicContact CB-CE2 4.1Å; F101-Y150 HydrophobicContact CB-CG 3.62Å; F101-Y150 VanDerWaalsContact CD1-CB 3.48Å; F101-Y150 HydrophobicContact CD1-CG 4.1Å; F101-Y150 HydrophobicContact CG-CD2 4.09Å; F101-Y150 AromaticContact CG-CG 3.91Å; F101-Y150 HydrophobicContact CG-CG 3.91Å; F101-F153 HydrophobicContact CE2-CD1 4.3Å; F101-F153 AromaticContact CZ-CD1 3.79Å; F101-F153 HydrophobicContact CZ-CD1 3.79Å; F101-F153 HydrophobicContact CZ-CE1 4.13Å; F101-V154 HydrophobicContact CD2-CG2 3.59Å; F101-V154 HydrophobicContact CE2-CG2 3.71Å
102L94.8Very high94.1Very high66 Ų6673.4 Ų73.435%0.34638%0.38SS..Hα-helixtrans-65.7-28.9176.7-75169.2000113.1L98 K99 A100 L104 D105 Y150L98-L102 HydrophobicContact CD1-CD1 4.49Å; L98-L102 HydrophobicContact CD1-CG 4.47Å; L98-L102 HydrophobicContact CG-CD1 4.06Å; L98-L102 HydrophobicContact CG-CG 4.5Å; L98-L102 WeakPolarHBondContact O-CB 3.33Å; L98-L102 VanDerWaalsContact O-CG 3.26Å; L98-L102 WeakPolarHBondContact O-CG 3.48Å; L98-L102 PolarHBondContact O-N 3.37Å; K99-L102 PolarHBondContact O-N 3.5Å; A100-L102 PolarHBondContact O-N 3.5Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L102-D105 CarbonylContact O-C 3.05Å; L102-Y150 HydrophobicContact CD2-CE2 4.3Å; L102-Y150 VanDerWaalsContact CD2-OH 3.32Å; L102-Y150 WeakPolarHBondContact CD2-OH 3.35Å; L102-Y150 HydrophobicContact CG-CE2 4.48Å
103I92.6Very high94.3Very high132 Ų13273 Ų7368%0.67738%0.375SS*.Hα-helixtrans-67.9-38.6173.5-69164.5000110.4K99 A100 F101K99-I103 WeakPolarHBondContact O-CG1 3.48Å; K99-I103 PolarHBondContact O-N 3.22Å; K99-I103 VanDerWaalsContact O-N 3.08Å; A100-I103 PolarHBondContact O-N 3.27Å; F101-I103 VanDerWaalsContact C-N 3.27Å; F101-I103 PolarHBondContact O-N 3.11Å
104L92.5Very high94.3Very high46 Ų4670.4 Ų70.424%0.24136%0.36CS..Hα-helixtrans-70.9-36.9176.9-60.4179.3000112.1A100 F101 L102 S106 L112 L117 Y120A100-L104 PolarHBondContact O-N 3.43Å; F101-L104 PolarHBondContact O-N 3.48Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 3Å; L104-L112 HydrophobicContact CB-CD1 3.78Å; L104-L112 HydrophobicContact CB-CD2 3.88Å; L104-L112 HydrophobicContact CB-CG 4.5Å; L104-L112 HydrophobicContact CD1-CD1 3.8Å; L104-L112 HydrophobicContact CG-CD1 4.45Å; L104-L117 HydrophobicContact CD1-CD1 4.34Å; L104-Y120 HydrophobicContact CD1-CD1 4.07Å; L104-Y120 HydrophobicContact CD1-CG 4.07Å; L104-Y120 HydrophobicContact CD2-CD1 4.24Å; L104-Y120 HydrophobicContact CD2-CD2 3.37Å; L104-Y120 HydrophobicContact CD2-CE2 3.74Å; L104-Y120 HydrophobicContact CD2-CG 3.63Å; L104-Y120 HydrophobicContact CG-CG 4.49Å
105D95.7Very high94.2Very high2 Ų271.7 Ų71.71%0.01137%0.366CS..  trans-84.763.3175.1-174.422.2000112F101 L102 E107 K108 K109 G110 L112 Y150F101-D105 PolarHBondContact O-N 3.08Å; L102-D105 CarbonylContact O-C 3.05Å; D105-E107 PolarHBondContact O-N 3.35Å; D105-E107 VanDerWaalsContact O-N 3.09Å; D105-K108 PolarHBondContact O-N 3.41Å; D105-K108 PolarHBondContact OD1-N 2.89Å; D105-K108 VanDerWaalsContact OD2-CA 3.28Å; D105-K108 WeakPolarHBondContact OD2-CA 3.45Å; D105-K109 VanDerWaalsContact CG-N 3.25Å; D105-K109 WeakPolarHBondContact OD1-CE 3.43Å; D105-K109 PolarHBondContact OD1-N 3.32Å; D105-K109 PolarHBondContact OD2-N 2.82Å; D105-G110 PolarHBondContact OD2-N 2.84Å; D105-L112 HydrophobicContact CB-CD2 3.84Å; D105-Y150 HydrophobicContact CB-CE1 4.02Å; D105-Y150 PolarHBondContact OD2-OH 3.3Å
106S91.3Very high94.1Very high100 Ų10068.7 Ų68.770%0.69936%0.36SS*.THydrogen-bonded Turntrans-55.6-28.1-179.1570000114.2L104L104-S106 PolarHBondContact O-N 3Å
107E93.9Very high94Very high137 Ų13763.3 Ų63.364%0.6434%0.335SS*.THydrogen-bonded Turntrans-88.2-3.4177.9-67.7173.8-179.800113.4D105 K109D105-E107 PolarHBondContact O-N 3.35Å; D105-E107 VanDerWaalsContact O-N 3.09Å; E107-K109 VanDerWaalsContact C-N 3.29Å; E107-K109 HydrophobicContact CB-CD 4.25Å; E107-K109 HydrophobicContact CB-CG 4Å; E107-K109 PolarHBondContact O-N 3.46Å; E107-K109 WeakPolarHBondContact OE2-CD 3.41Å; E107-K109 WeakPolarHBondContact OE2-CE 3.26Å; E107-K109 IonicContact OE2-NZ 3.69Å; E107-K109 PolarHBondContact OE2-NZ 3.05Å
108K93.2Very high94Very high179 Ų17965.5 Ų65.578%0.77834%0.344SS*.  trans55.240.5-179.2-56.7-178.5179.1-179.20113.4D105 G110D105-K108 PolarHBondContact O-N 3.41Å; D105-K108 PolarHBondContact OD1-N 2.89Å; D105-K108 VanDerWaalsContact OD2-CA 3.28Å; D105-K108 WeakPolarHBondContact OD2-CA 3.45Å; K108-G110 PolarHBondContact O-N 3.28Å
109K95.3Very high93.9Very high102 Ų10267.7 Ų67.744%0.44336%0.362SS..  trans-67.6-22.3176.7-69.4174.4-69.4-142.50113.1D105 E107 F111D105-K109 VanDerWaalsContact CG-N 3.25Å; D105-K109 WeakPolarHBondContact OD1-CE 3.43Å; D105-K109 PolarHBondContact OD1-N 3.32Å; D105-K109 PolarHBondContact OD2-N 2.82Å; E107-K109 VanDerWaalsContact C-N 3.29Å; E107-K109 HydrophobicContact CB-CD 4.25Å; E107-K109 HydrophobicContact CB-CG 4Å; E107-K109 PolarHBondContact O-N 3.46Å; E107-K109 WeakPolarHBondContact OE2-CD 3.41Å; E107-K109 WeakPolarHBondContact OE2-CE 3.26Å; E107-K109 IonicContact OE2-NZ 3.69Å; E107-K109 PolarHBondContact OE2-NZ 3.05Å; K109-F111 VanDerWaalsContact C-N 3.34Å; K109-F111 HydrophobicContact CB-CD1 4Å; K109-F111 HydrophobicContact CB-CE1 3.74Å; K109-F111 HydrophobicContact CB-CE2 4.33Å; K109-F111 HydrophobicContact CB-CG 4.41Å; K109-F111 HydrophobicContact CB-CZ 3.92Å; K109-F111 HydrophobicContact CD-CE2 4.2Å; K109-F111 HydrophobicContact CD-CZ 4.06Å; K109-F111 HydrophobicContact CG-CZ 4.38Å; K109-F111 WeakPolarHBondContact O-CD1 3.32Å
110G95.1Very high93.7Very high15 Ų1567.2 Ų67.216%0.15536%0.357CS..SBendtrans83.47.8-173.200000114.1D105 K108 Y150D105-G110 PolarHBondContact OD2-N 2.84Å; K108-G110 PolarHBondContact O-N 3.28Å; G110-Y150 WeakPolarHBondContact O-CE1 3.48Å
111F96.5Very high93.7Very high64 Ų6466.6 Ų66.628%0.28135%0.347SS..  trans-153.5159.1177.861.4-96.8000111.8K109 K147 I148 M149 Y150K109-F111 VanDerWaalsContact C-N 3.34Å; K109-F111 HydrophobicContact CB-CD1 4Å; K109-F111 HydrophobicContact CB-CE1 3.74Å; K109-F111 HydrophobicContact CB-CE2 4.33Å; K109-F111 HydrophobicContact CB-CG 4.41Å; K109-F111 HydrophobicContact CB-CZ 3.92Å; K109-F111 HydrophobicContact CD-CE2 4.2Å; K109-F111 HydrophobicContact CD-CZ 4.06Å; K109-F111 HydrophobicContact CG-CZ 4.38Å; K109-F111 WeakPolarHBondContact O-CD1 3.32Å; F111-K147 HydrophobicContact CB-CB 4.25Å; F111-K147 HydrophobicContact CD2-CB 4.1Å; F111-K147 HydrophobicContact CD2-CD 3.72Å; F111-K147 HydrophobicContact CD2-CG 3.9Å; F111-K147 HydrophobicContact CE2-CD 3.84Å; F111-K147 HydrophobicContact CE2-CG 4.22Å; F111-K147 HydrophobicContact CG-CB 4.34Å; F111-K147 HydrophobicContact CG-CG 4.43Å; F111-I148 VanDerWaalsContact CA-O 3.27Å; F111-I148 WeakPolarHBondContact CA-O 3.33Å; F111-I148 WeakPolarHBondContact CB-O 3.37Å; F111-M149 HydrophobicContact CB-CE 4.3Å; F111-M149 HydrophobicContact CB-SD 3.8Å; F111-Y150 VanDerWaalsContact N-CE1 3.35Å
112L96.2Very high93.6Very high7 Ų769.4 Ų69.44%0.03737%0.366CS..BIsolated β-bridgetrans-111.7158.4169.6-61.5-177.5000111.4F101 L104 D105 I148 Y150F101-L112 HydrophobicContact CD1-CD1 3.66Å; F101-L112 HydrophobicContact CE1-CD1 4.15Å; L104-L112 HydrophobicContact CB-CD1 3.78Å; L104-L112 HydrophobicContact CB-CD2 3.88Å; L104-L112 HydrophobicContact CB-CG 4.5Å; L104-L112 HydrophobicContact CD1-CD1 3.8Å; L104-L112 HydrophobicContact CG-CD1 4.45Å; D105-L112 HydrophobicContact CB-CD2 3.84Å; L112-I148 HydrophobicContact CB-CB 4.33Å; L112-I148 PolarHBondContact N-O 3.42Å; L112-I148 PolarHBondContact O-N 3.28Å; L112-Y150 HydrophobicContact CG-CD1 4.22Å
113S93.4Very high93.3Very high33 Ų3370.3 Ų70.323%0.23138%0.378CS..  trans-85.3158.3162.883.40000109.9E115 A116 L117S113-E115 VanDerWaalsContact C-N 3.26Å; S113-E115 WeakPolarHBondContact CB-OE2 3.33Å; S113-E115 PolarHBondContact O-N 2.96Å; S113-E115 PolarHBondContact OG-OE2 3.38Å; S113-A116 PolarHBondContact O-N 2.87Å; S113-A116 PolarHBondContact OG-N 3.21Å; S113-L117 PolarHBondContact O-N 3.05Å
114A92.8Very high92.9Very high22 Ų2266 Ų6618%0.18236%0.359CS..Hα-helixtrans-59.2-41.3177.300000111.2A116 L117 E118 L137A114-A116 VanDerWaalsContact C-N 3.31Å; A114-A116 PolarHBondContact O-N 3.01Å; A114-L117 PolarHBondContact O-N 3.08Å; A114-E118 WeakPolarHBondContact O-CB 3.5Å; A114-E118 PolarHBondContact O-N 3.42Å; A114-L137 HydrophobicContact CB-CD1 4.34Å; A114-L137 HydrophobicContact CB-CD2 3.98Å
115E92.2Very high92.7Very high128 Ų12867.7 Ų67.760%0.59839%0.388SS*.Hα-helixtrans-65-35.6-179.9-52.278.8-173.900112S113 S119S113-E115 VanDerWaalsContact C-N 3.26Å; S113-E115 WeakPolarHBondContact CB-OE2 3.33Å; S113-E115 PolarHBondContact O-N 2.96Å; S113-E115 PolarHBondContact OG-OE2 3.38Å; E115-S119 VanDerWaalsContact O-CB 3.26Å; E115-S119 WeakPolarHBondContact O-CB 3.41Å; E115-S119 PolarHBondContact O-N 3.49Å
116A92.2Very high92.5Very high44 Ų4471.4 Ų71.436%0.36441%0.405SS..Hα-helixtrans-67.6-41.1177.400000111.4S113 A114 Y120S113-A116 PolarHBondContact O-N 2.87Å; S113-A116 PolarHBondContact OG-N 3.21Å; A114-A116 VanDerWaalsContact C-N 3.31Å; A114-A116 PolarHBondContact O-N 3.01Å; A116-Y120 PolarHBondContact O-N 3.14Å
117L93.7Very high92.5Very high6 Ų670.8 Ų70.83%0.03140%0.398CS..Hα-helixtrans-69.2-49175.7-176.360.2000110.9F101 L104 S113 A114 S119 Y120 M121 M136 L137 I148F101-L117 HydrophobicContact CE1-CD1 4.09Å; L104-L117 HydrophobicContact CD1-CD1 4.34Å; S113-L117 PolarHBondContact O-N 3.05Å; A114-L117 PolarHBondContact O-N 3.08Å; L117-S119 VanDerWaalsContact C-N 3.33Å; L117-S119 PolarHBondContact O-N 3.4Å; L117-Y120 WeakPolarHBondContact O-CB 3.28Å; L117-Y120 PolarHBondContact O-N 3.38Å; L117-M121 HydrophobicContact CD1-CG 4.02Å; L117-M121 HydrophobicContact CD1-SD 4.27Å; L117-M121 HydrophobicContact CG-CG 4.09Å; L117-M121 VanDerWaalsContact O-CG 3.27Å; L117-M121 WeakPolarHBondContact O-CG 3.42Å; L117-M121 PolarHBondContact O-N 3.25Å; L117-M136 HydrophobicContact CD2-CG 4.41Å; L117-L137 HydrophobicContact CB-CD2 4.35Å; L117-L137 HydrophobicContact CD2-CD2 4.22Å; L117-I148 HydrophobicContact CB-CD1 3.8Å; L117-I148 HydrophobicContact CD2-CD1 3.45Å; L117-I148 VanDerWaalsContact CD2-CD1 3.45Å; L117-I148 HydrophobicContact CG-CD1 4.26Å
118E94.1Very high92.5Very high87 Ų8767.7 Ų67.741%0.40738%0.383SS..Hα-helixtrans-51.8-50.2176.3174.8175.6-163.200111.8A114 Y120 M121 V122 I133 L137A114-E118 WeakPolarHBondContact O-CB 3.5Å; A114-E118 PolarHBondContact O-N 3.42Å; E118-Y120 PolarHBondContact O-N 3.27Å; E118-M121 PolarHBondContact O-N 2.7Å; E118-M121 VanDerWaalsContact O-N 3.15Å; E118-V122 HydrophobicContact CG-CG2 4.48Å; E118-V122 WeakPolarHBondContact O-CG2 3.39Å; E118-V122 PolarHBondContact O-N 3.07Å; E118-I133 HydrophobicContact CB-CG2 4.23Å; E118-I133 HydrophobicContact CG-CG2 3.88Å; E118-L137 HydrophobicContact CB-CD1 4.34Å
119S93.2Very high92.5Very high76 Ų7662.5 Ų62.553%0.53137%0.367SS..Hα-helixtrans-57.8-34.3179.1-178.10000112.5E115 L117 S123E115-S119 VanDerWaalsContact O-CB 3.26Å; E115-S119 WeakPolarHBondContact O-CB 3.41Å; E115-S119 PolarHBondContact O-N 3.49Å; L117-S119 VanDerWaalsContact C-N 3.33Å; L117-S119 PolarHBondContact O-N 3.4Å; S119-S123 WeakPolarHBondContact O-CB 3.49Å; S119-S123 PolarHBondContact O-OG 3.29Å
120Y91.3Very high92.4Very high100 Ų10064.2 Ų64.239%0.39237%0.374SS..Hα-helixtrans-74.6-45.5177.4-171.1-102.3000111.5L104 A116 L117 E118 V122 S123 S124L104-Y120 HydrophobicContact CD1-CD1 4.07Å; L104-Y120 HydrophobicContact CD1-CG 4.07Å; L104-Y120 HydrophobicContact CD2-CD1 4.24Å; L104-Y120 HydrophobicContact CD2-CD2 3.37Å; L104-Y120 HydrophobicContact CD2-CE2 3.74Å; L104-Y120 HydrophobicContact CD2-CG 3.63Å; L104-Y120 HydrophobicContact CG-CG 4.49Å; A116-Y120 PolarHBondContact O-N 3.14Å; L117-Y120 WeakPolarHBondContact O-CB 3.28Å; L117-Y120 PolarHBondContact O-N 3.38Å; E118-Y120 PolarHBondContact O-N 3.27Å; Y120-V122 PolarHBondContact O-N 2.93Å; Y120-S123 PolarHBondContact O-N 3.25Å; Y120-S123 VanDerWaalsContact O-N 3.1Å; Y120-S123 PolarHBondContact O-OG 3.32Å; Y120-S124 WeakPolarHBondContact CE2-OG 3.27Å; Y120-S124 WeakPolarHBondContact O-CB 3.29Å; Y120-S124 PolarHBondContact O-N 3.01Å
121M92.4Very high92.5Very high34 Ų3468.9 Ų68.917%0.16739%0.392CS..Hα-helixtrans-64.9-23.8-178.6-62-62.5-78.300113.4L117 E118 P127 F128 I133 M136L117-M121 HydrophobicContact CD1-CG 4.02Å; L117-M121 HydrophobicContact CD1-SD 4.27Å; L117-M121 HydrophobicContact CG-CG 4.09Å; L117-M121 VanDerWaalsContact O-CG 3.27Å; L117-M121 WeakPolarHBondContact O-CG 3.42Å; L117-M121 PolarHBondContact O-N 3.25Å; E118-M121 PolarHBondContact O-N 2.7Å; E118-M121 VanDerWaalsContact O-N 3.15Å; M121-P127 WeakPolarHBondContact O-CA 3.47Å; M121-F128 HydrophobicContact CB-CB 4.48Å; M121-F128 HydrophobicContact CE-CD1 3.49Å; M121-F128 VanDerWaalsContact CE-CD1 3.49Å; M121-F128 HydrophobicContact CE-CD2 3.58Å; M121-F128 HydrophobicContact CE-CE1 3.27Å; M121-F128 HydrophobicContact CE-CE2 3.34Å; M121-F128 HydrophobicContact CE-CG 3.68Å; M121-F128 HydrophobicContact CE-CZ 3.21Å; M121-F128 PolarHBondContact O-N 3.46Å; M121-I133 HydrophobicContact CB-CG1 4.43Å; M121-M136 HydrophobicContact CE-CE 4.29Å
122V92.4Very high92.4Very high78 Ų7869.8 Ų69.847%0.47340%0.397SS..Hα-helixtrans-84.7-27.5174.5174.80000112.7E118 Y120 I133E118-V122 HydrophobicContact CG-CG2 4.48Å; E118-V122 WeakPolarHBondContact O-CG2 3.39Å; E118-V122 PolarHBondContact O-N 3.07Å; Y120-V122 PolarHBondContact O-N 2.93Å; V122-I133 HydrophobicContact CG2-CD1 3.32Å
123S89.1Confident92.3Very high85 Ų8569.9 Ų69.959%0.59440%0.397SS*.Hα-helixtrans-107.6-15.2-166.162.50000115S119 Y120S119-S123 WeakPolarHBondContact O-CB 3.49Å; S119-S123 PolarHBondContact O-OG 3.29Å; Y120-S123 PolarHBondContact O-N 3.25Å; Y120-S123 VanDerWaalsContact O-N 3.1Å; Y120-S123 PolarHBondContact O-OG 3.32Å
124S85Confident92.4Very high42 Ų4273.5 Ų73.529%0.29441%0.411SS..SBendtrans-126.6141-168.1-59.10000111.6Y120 E126Y120-S124 WeakPolarHBondContact CE2-OG 3.27Å; Y120-S124 WeakPolarHBondContact O-CB 3.29Å; Y120-S124 PolarHBondContact O-N 3.01Å; S124-E126 PolarHBondContact O-N 2.9Å
125G88.1Confident92.5Very high81 Ų8179.2 Ų79.284%0.83543%0.434SS*.SBendtrans67.6-129.117600000112.9P127G125-P127 WeakPolarHBondContact O-CD 3.25Å
126E90.3Very high92.6Very high80 Ų8075.5 Ų75.537%0.37442%0.417SS..SBendtrans-92.9105.4171.9-65.5-175.9154.500108.1T51 E52 A53 S124 F128T51-E126 WeakPolarHBondContact CA-OE2 3.45Å; T51-E126 WeakPolarHBondContact CB-OE2 3.38Å; E52-E126 VanDerWaalsContact N-CD 3.34Å; E52-E126 PolarHBondContact N-OE1 3.16Å; E52-E126 PolarHBondContact N-OE2 2.92Å; A53-E126 PolarHBondContact N-OE1 3.46Å; S124-E126 PolarHBondContact O-N 2.9Å; E126-F128 PolarHBondContact O-N 2.97Å
127P92.4Very high92.7Very high86 Ų8674.7 Ų74.756%0.55841%0.406SS*.PPolyproline II helixtrans-63.6134.2-173.6-23.835.7000111.6M121 G125M121-P127 WeakPolarHBondContact O-CA 3.47Å; G125-P127 WeakPolarHBondContact O-CD 3.25Å
128F92.8Very high92.7Very high73 Ų7378.3 Ų78.332%0.3244%0.437SS..PPolyproline II helixtrans-73.2144.8175.1-80.5-140.2000109.8M121 E126 E132 I133 M136M121-F128 HydrophobicContact CB-CB 4.48Å; M121-F128 HydrophobicContact CE-CD1 3.49Å; M121-F128 VanDerWaalsContact CE-CD1 3.49Å; M121-F128 HydrophobicContact CE-CD2 3.58Å; M121-F128 HydrophobicContact CE-CE1 3.27Å; M121-F128 HydrophobicContact CE-CE2 3.34Å; M121-F128 HydrophobicContact CE-CG 3.68Å; M121-F128 HydrophobicContact CE-CZ 3.21Å; M121-F128 PolarHBondContact O-N 3.46Å; E126-F128 PolarHBondContact O-N 2.97Å; F128-E132 HydrophobicContact CB-CB 4.03Å; F128-E132 HydrophobicContact CD1-CB 3.57Å; F128-E132 HydrophobicContact CE1-CB 4.33Å; F128-E132 HydrophobicContact CG-CB 4.11Å; F128-I133 HydrophobicContact CB-CD1 4.2Å; F128-I133 HydrophobicContact CB-CG1 3.62Å; F128-M136 HydrophobicContact CE1-CE 3.89Å; F128-M136 HydrophobicContact CZ-CE 4.39Å
129T93.6Very high92.6Very high70 Ų7076.6 Ų76.643%0.42944%0.438SS..PPolyproline II helixtrans-64.5163.516562.10000110.3E131 E132 I133T129-E131 PolarHBondContact O-N 2.94Å; T129-E132 WeakPolarHBondContact CB-OE2 3.19Å; T129-E132 WeakPolarHBondContact CG2-OE2 3.47Å; T129-E132 PolarHBondContact N-OE2 2.95Å; T129-E132 PolarHBondContact O-N 3.02Å; T129-E132 WeakPolarHBondContact OG1-CB 3.44Å; T129-E132 WeakPolarHBondContact OG1-CG 3.31Å; T129-E132 PolarHBondContact OG1-N 3.35Å; T129-E132 PolarHBondContact OG1-OE2 3.48Å; T129-I133 WeakPolarHBondContact O-CD1 3.48Å; T129-I133 VanDerWaalsContact O-CG1 3.29Å; T129-I133 WeakPolarHBondContact O-CG1 3.32Å; T129-I133 PolarHBondContact O-N 3.48Å
130K94.5Very high92.7Very high137 Ų13773.4 Ų73.460%0.59642%0.416SS*.Hα-helixtrans-59.9-41.1179.1-177.8-178.3168.8-167.30111I133 E134K130-I133 PolarHBondContact O-N 3.25Å; K130-E134 WeakPolarHBondContact CE-OE1 3.43Å; K130-E134 IonicContact NZ-OE1 3.9Å; K130-E134 WeakPolarHBondContact O-CG 3.37Å; K130-E134 PolarHBondContact O-N 3.2Å
131E95.5Very high92.8Very high114 Ų11470.2 Ų70.253%0.53341%0.407SS..Hα-helixtrans-63.7-46.7179-65.669.6-155.300110.9T129 I133 E134 E135T129-E131 PolarHBondContact O-N 2.94Å; E131-I133 VanDerWaalsContact C-N 3.29Å; E131-I133 PolarHBondContact O-N 3.07Å; E131-E134 PolarHBondContact O-N 2.85Å; E131-E135 WeakPolarHBondContact O-CG 3.43Å; E131-E135 PolarHBondContact O-N 2.87Å
132E94.2Very high92.8Very high83 Ų8370.7 Ų70.739%0.38841%0.41SS..Hα-helixtrans-63.3-34.8176.6-69.9164.3142.900112.3F128 T129 M136F128-E132 HydrophobicContact CB-CB 4.03Å; F128-E132 HydrophobicContact CD1-CB 3.57Å; F128-E132 HydrophobicContact CE1-CB 4.33Å; F128-E132 HydrophobicContact CG-CB 4.11Å; T129-E132 WeakPolarHBondContact CB-OE2 3.19Å; T129-E132 WeakPolarHBondContact CG2-OE2 3.47Å; T129-E132 PolarHBondContact N-OE2 2.95Å; T129-E132 PolarHBondContact O-N 3.02Å; T129-E132 WeakPolarHBondContact OG1-CB 3.44Å; T129-E132 WeakPolarHBondContact OG1-CG 3.31Å; T129-E132 PolarHBondContact OG1-N 3.35Å; T129-E132 PolarHBondContact OG1-OE2 3.48Å; E132-M136 WeakPolarHBondContact O-CB 3.38Å; E132-M136 PolarHBondContact O-N 3.22Å
133I95.5Very high92.4Very high9 Ų975 Ų755%0.04643%0.429CS..Hα-helixtrans-65.5-47.9173.6-69.8163000110.6E118 M121 V122 F128 T129 K130 E131 E135 M136 L137E118-I133 HydrophobicContact CB-CG2 4.23Å; E118-I133 HydrophobicContact CG-CG2 3.88Å; M121-I133 HydrophobicContact CB-CG1 4.43Å; V122-I133 HydrophobicContact CG2-CD1 3.32Å; F128-I133 HydrophobicContact CB-CD1 4.2Å; F128-I133 HydrophobicContact CB-CG1 3.62Å; T129-I133 WeakPolarHBondContact O-CD1 3.48Å; T129-I133 VanDerWaalsContact O-CG1 3.29Å; T129-I133 WeakPolarHBondContact O-CG1 3.32Å; T129-I133 PolarHBondContact O-N 3.48Å; K130-I133 PolarHBondContact O-N 3.25Å; E131-I133 VanDerWaalsContact C-N 3.29Å; E131-I133 PolarHBondContact O-N 3.07Å; I133-E135 VanDerWaalsContact C-N 3.31Å; I133-E135 PolarHBondContact O-N 3.08Å; I133-M136 PolarHBondContact O-N 2.92Å; I133-L137 HydrophobicContact CG2-CD1 3.82Å; I133-L137 HydrophobicContact CG2-CG 4.17Å; I133-L137 WeakPolarHBondContact O-CB 3.42Å; I133-L137 VanDerWaalsContact O-CG 3.27Å; I133-L137 WeakPolarHBondContact O-CG 3.41Å; I133-L137 PolarHBondContact O-N 2.83Å
134E95.4Very high92.4Very high109 Ų10976 Ų7651%0.50944%0.436SS..Hα-helixtrans-59.5-44179.9-74.8178.7179.300111.1K130 E131 A138K130-E134 WeakPolarHBondContact CE-OE1 3.43Å; K130-E134 IonicContact NZ-OE1 3.9Å; K130-E134 WeakPolarHBondContact O-CG 3.37Å; K130-E134 PolarHBondContact O-N 3.2Å; E131-E134 PolarHBondContact O-N 2.85Å; E134-A138 VanDerWaalsContact O-CB 3.29Å; E134-A138 WeakPolarHBondContact O-CB 3.4Å; E134-A138 PolarHBondContact O-N 3.18Å
135E94.9Very high92.5Very high142 Ų14279.3 Ų79.366%0.66445%0.446SS*.Hα-helixtrans-64.3-45.5175.7-70.8-178.8-176.900112.1E131 I133 L137 A138 A139E131-E135 WeakPolarHBondContact O-CG 3.43Å; E131-E135 PolarHBondContact O-N 2.87Å; I133-E135 VanDerWaalsContact C-N 3.31Å; I133-E135 PolarHBondContact O-N 3.08Å; E135-L137 PolarHBondContact O-N 3.21Å; E135-A138 PolarHBondContact O-N 3.04Å; E135-A139 PolarHBondContact O-N 2.87Å
136M93.7Very high92.6Very high49 Ų4977.4 Ų77.424%0.24143%0.426CS..Hα-helixtrans-59.8-47.3177176.661.970.300111.6L117 M121 F128 E132 I133 A138 A139 A140 F153L117-M136 HydrophobicContact CD2-CG 4.41Å; M121-M136 HydrophobicContact CE-CE 4.29Å; F128-M136 HydrophobicContact CE1-CE 3.89Å; F128-M136 HydrophobicContact CZ-CE 4.39Å; E132-M136 WeakPolarHBondContact O-CB 3.38Å; E132-M136 PolarHBondContact O-N 3.22Å; I133-M136 PolarHBondContact O-N 2.92Å; M136-A138 VanDerWaalsContact C-N 3.34Å; M136-A138 PolarHBondContact O-N 2.78Å; M136-A139 PolarHBondContact O-N 2.84Å; M136-A140 VanDerWaalsContact O-CB 3.25Å; M136-A140 WeakPolarHBondContact O-CB 3.27Å; M136-A140 PolarHBondContact O-N 2.84Å; M136-F153 HydrophobicContact SD-CE1 3.84Å; M136-F153 HydrophobicContact SD-CZ 3.51Å; M136-F153 VanDerWaalsContact SD-CZ 3.51Å
137L94.8Very high92.8Very high28 Ų2877.1 Ų77.115%0.14742%0.423CS..Hα-helixtrans-66.8-36.9179.7-68.9179.6000111.9A114 L117 E118 I133 E135 A139 A140 T141 I148A114-L137 HydrophobicContact CB-CD1 4.34Å; A114-L137 HydrophobicContact CB-CD2 3.98Å; L117-L137 HydrophobicContact CB-CD2 4.35Å; L117-L137 HydrophobicContact CD2-CD2 4.22Å; E118-L137 HydrophobicContact CB-CD1 4.34Å; I133-L137 HydrophobicContact CG2-CD1 3.82Å; I133-L137 HydrophobicContact CG2-CG 4.17Å; I133-L137 WeakPolarHBondContact O-CB 3.42Å; I133-L137 VanDerWaalsContact O-CG 3.27Å; I133-L137 WeakPolarHBondContact O-CG 3.41Å; I133-L137 PolarHBondContact O-N 2.83Å; E135-L137 PolarHBondContact O-N 3.21Å; L137-A139 VanDerWaalsContact C-N 3.3Å; L137-A140 PolarHBondContact O-N 2.96Å; L137-T141 WeakPolarHBondContact O-CB 3.24Å; L137-T141 PolarHBondContact O-N 3.29Å; L137-T141 PolarHBondContact O-OG1 2.9Å; L137-I148 HydrophobicContact CD2-CD1 3.98Å
138A93.6Very high92.9Very high81 Ų8173 Ų7367%0.66940%0.396SS*.Hα-helixtrans-63.7-37.3174.400000112E134 E135 M136E134-A138 VanDerWaalsContact O-CB 3.29Å; E134-A138 WeakPolarHBondContact O-CB 3.4Å; E134-A138 PolarHBondContact O-N 3.18Å; E135-A138 PolarHBondContact O-N 3.04Å; M136-A138 VanDerWaalsContact C-N 3.34Å; M136-A138 PolarHBondContact O-N 2.78Å
139A92.9Very high93.1Very high52 Ų5271.7 Ų71.743%0.4339%0.392SS..Hα-helixtrans-73.9-38.3176.300000113.1E135 M136 L137 F153E135-A139 PolarHBondContact O-N 2.87Å; M136-A139 PolarHBondContact O-N 2.84Å; L137-A139 VanDerWaalsContact C-N 3.3Å; A139-F153 HydrophobicContact CB-CE2 4.48Å
140A94.1Very high93.2Very high9 Ų968.5 Ų68.57%0.07437%0.372CS..Hα-helixtrans-90-23.6-170.100000114.8M136 L137 I148 F153M136-A140 VanDerWaalsContact O-CB 3.25Å; M136-A140 WeakPolarHBondContact O-CB 3.27Å; M136-A140 PolarHBondContact O-N 2.84Å; L137-A140 PolarHBondContact O-N 2.96Å; A140-I148 HydrophobicContact CB-CD1 4.23Å; A140-I148 HydrophobicContact CB-CG1 4.29Å; A140-I148 HydrophobicContact CB-CG2 4.01Å; A140-F153 HydrophobicContact CB-CD1 3.93Å; A140-F153 HydrophobicContact CB-CD2 3.85Å; A140-F153 HydrophobicContact CB-CE1 3.77Å; A140-F153 HydrophobicContact CB-CE2 3.71Å; A140-F153 HydrophobicContact CB-CG 3.98Å; A140-F153 HydrophobicContact CB-CZ 3.68Å
141T94.4Very high93.2Very high33 Ų3367.7 Ų67.720%0.20237%0.365CS..  trans-84.2122.9-171.7-56.30000111.9L137 L143L137-T141 WeakPolarHBondContact O-CB 3.24Å; L137-T141 PolarHBondContact O-N 3.29Å; L137-T141 PolarHBondContact O-OG1 2.9Å; T141-L143 PolarHBondContact O-N 2.76Å; T141-L143 VanDerWaalsContact O-N 3.13Å
142D91.8Very high93.1Very high44 Ų4466.9 Ų66.924%0.23536%0.364CS..BIsolated β-bridgetrans-69.4107.9167.5-178.8-34.4000109S144 K145 G146 K147 M149D142-S144 PolarHBondContact O-N 3.19Å; D142-S144 WeakPolarHBondContact OD1-CA 3.21Å; D142-S144 WeakPolarHBondContact OD1-CB 3.24Å; D142-S144 PolarHBondContact OD1-N 3.11Å; D142-S144 PolarHBondContact OD1-OG 3.03Å; D142-K145 HydrophobicContact CB-CB 4.26Å; D142-K145 PolarHBondContact O-N 3.01Å; D142-K145 VanDerWaalsContact O-N 3.1Å; D142-K145 PolarHBondContact OD1-N 3.45Å; D142-K145 WeakPolarHBondContact OD2-CD 3.29Å; D142-K145 WeakPolarHBondContact OD2-CE 3.46Å; D142-K145 IonicContact OD2-NZ 3.3Å; D142-K145 PolarHBondContact OD2-NZ 3.26Å; D142-G146 WeakPolarHBondContact O-CA 3.4Å; D142-G146 PolarHBondContact O-N 3.08Å; D142-K147 WeakPolarHBondContact CB-O 3.23Å; D142-K147 PolarHBondContact N-O 3.14Å; D142-M149 HydrophobicContact CB-CG 4.37Å
143L84.4Confident93.1Very high167 Ų16763.4 Ų63.487%0.87435%0.348SS*.THydrogen-bonded Turntrans-59-28.4-177.9-64.5178.7000113.6T141T141-L143 PolarHBondContact O-N 2.76Å; T141-L143 VanDerWaalsContact O-N 3.13Å
144S88.4Confident93.1Very high106 Ų10663 Ų6374%0.74135%0.346SS*.THydrogen-bonded Turntrans-77.3-27.9179.975.40000112.4D142D142-S144 PolarHBondContact O-N 3.19Å; D142-S144 WeakPolarHBondContact OD1-CA 3.21Å; D142-S144 WeakPolarHBondContact OD1-CB 3.24Å; D142-S144 PolarHBondContact OD1-N 3.11Å; D142-S144 PolarHBondContact OD1-OG 3.03Å
145K86.7Confident92.9Very high113 Ų11361.7 Ų61.749%0.49134%0.342SS..THydrogen-bonded Turntrans-104.6-21.5-177.5-61.2177.8-167.3127.50113.1D142 K147 M149D142-K145 HydrophobicContact CB-CB 4.26Å; D142-K145 PolarHBondContact O-N 3.01Å; D142-K145 VanDerWaalsContact O-N 3.1Å; D142-K145 PolarHBondContact OD1-N 3.45Å; D142-K145 WeakPolarHBondContact OD2-CD 3.29Å; D142-K145 WeakPolarHBondContact OD2-CE 3.46Å; D142-K145 IonicContact OD2-NZ 3.3Å; D142-K145 PolarHBondContact OD2-NZ 3.26Å; K145-K147 HydrophobicContact CB-CB 4.26Å; K145-K147 HydrophobicContact CB-CG 4.4Å; K145-K147 PolarHBondContact O-N 3.25Å; K145-M149 HydrophobicContact CD-CG 4.19Å; K145-M149 HydrophobicContact CD-SD 3.92Å
146G89.6Confident92.7Very high40 Ų4059.6 Ų59.641%0.41233%0.332SS..THydrogen-bonded Turntrans59.732.9-168.900000112.2D142D142-G146 WeakPolarHBondContact O-CA 3.4Å; D142-G146 PolarHBondContact O-N 3.08Å
147K94.7Very high92.5Very high74 Ų7460.5 Ų60.532%0.32234%0.338SS..BIsolated β-bridgetrans-136.9153.4-176.8-59.9-60.8167.5-158.50110.2F111 D142 K145F111-K147 HydrophobicContact CB-CB 4.25Å; F111-K147 HydrophobicContact CD2-CB 4.1Å; F111-K147 HydrophobicContact CD2-CD 3.72Å; F111-K147 HydrophobicContact CD2-CG 3.9Å; F111-K147 HydrophobicContact CE2-CD 3.84Å; F111-K147 HydrophobicContact CE2-CG 4.22Å; F111-K147 HydrophobicContact CG-CB 4.34Å; F111-K147 HydrophobicContact CG-CG 4.43Å; D142-K147 WeakPolarHBondContact CB-O 3.23Å; D142-K147 PolarHBondContact N-O 3.14Å; K145-K147 HydrophobicContact CB-CB 4.26Å; K145-K147 HydrophobicContact CB-CG 4.4Å; K145-K147 PolarHBondContact O-N 3.25Å
148I96.4Very high92Very high0 Ų060.9 Ų60.90%034%0.343CS..BIsolated β-bridgetrans-93.1104.5174.5-58.8175.5000107.5F111 L112 L117 L137 A140 Y150F111-I148 VanDerWaalsContact CA-O 3.27Å; F111-I148 WeakPolarHBondContact CA-O 3.33Å; F111-I148 WeakPolarHBondContact CB-O 3.37Å; L112-I148 HydrophobicContact CB-CB 4.33Å; L112-I148 PolarHBondContact N-O 3.42Å; L112-I148 PolarHBondContact O-N 3.28Å; L117-I148 HydrophobicContact CB-CD1 3.8Å; L117-I148 HydrophobicContact CD2-CD1 3.45Å; L117-I148 VanDerWaalsContact CD2-CD1 3.45Å; L117-I148 HydrophobicContact CG-CD1 4.26Å; L137-I148 HydrophobicContact CD2-CD1 3.98Å; A140-I148 HydrophobicContact CB-CD1 4.23Å; A140-I148 HydrophobicContact CB-CG1 4.29Å; A140-I148 HydrophobicContact CB-CG2 4.01Å; I148-Y150 PolarHBondContact O-N 3.34Å
149M96Very high91.3Very high46 Ų4660.2 Ų60.223%0.22733%0.33CS..  trans-79.477.8174.1-58.3-54.2-53.500108.3F111 D142 K145 R151 D152 F153F111-M149 HydrophobicContact CB-CE 4.3Å; F111-M149 HydrophobicContact CB-SD 3.8Å; D142-M149 HydrophobicContact CB-CG 4.37Å; K145-M149 HydrophobicContact CD-CG 4.19Å; K145-M149 HydrophobicContact CD-SD 3.92Å; M149-R151 PolarHBondContact O-N 3.38Å; M149-D152 HydrophobicContact CB-CB 4.35Å; M149-D152 WeakPolarHBondContact CB-OD2 3.18Å; M149-D152 WeakPolarHBondContact O-CB 3.28Å; M149-D152 PolarHBondContact O-N 3.13Å; M149-F153 PolarHBondContact O-N 2.89Å; M149-F153 VanDerWaalsContact O-N 3.08Å
150Y95.7Very high90.1Very high2 Ų264 Ų641%0.00834%0.337CS..Hα-helixtrans-60.3-23.7-163.860.3-102.1000114.9L98 F101 L102 D105 G110 F111 L112 I148 F153 V154L98-Y150 HydrophobicContact CD1-CD2 3.95Å; L98-Y150 HydrophobicContact CD1-CE2 3.72Å; F101-Y150 HydrophobicContact CB-CD1 4.28Å; F101-Y150 HydrophobicContact CB-CD2 3.49Å; F101-Y150 VanDerWaalsContact CB-CD2 3.49Å; F101-Y150 HydrophobicContact CB-CE2 4.1Å; F101-Y150 HydrophobicContact CB-CG 3.62Å; F101-Y150 VanDerWaalsContact CD1-CB 3.48Å; F101-Y150 HydrophobicContact CD1-CG 4.1Å; F101-Y150 HydrophobicContact CG-CD2 4.09Å; F101-Y150 AromaticContact CG-CG 3.91Å; F101-Y150 HydrophobicContact CG-CG 3.91Å; L102-Y150 HydrophobicContact CD2-CE2 4.3Å; L102-Y150 VanDerWaalsContact CD2-OH 3.32Å; L102-Y150 WeakPolarHBondContact CD2-OH 3.35Å; L102-Y150 HydrophobicContact CG-CE2 4.48Å; D105-Y150 HydrophobicContact CB-CE1 4.02Å; D105-Y150 PolarHBondContact OD2-OH 3.3Å; G110-Y150 WeakPolarHBondContact O-CE1 3.48Å; F111-Y150 VanDerWaalsContact N-CE1 3.35Å; L112-Y150 HydrophobicContact CG-CD1 4.22Å; I148-Y150 PolarHBondContact O-N 3.34Å; Y150-F153 PolarHBondContact O-N 3.48Å; Y150-V154 WeakPolarHBondContact O-CB 3.3Å; Y150-V154 WeakPolarHBondContact O-CG2 3.35Å; Y150-V154 PolarHBondContact O-N 2.87Å
151R95Very high88.4Confident120 Ų12066.2 Ų66.245%0.45335%0.348SS..Hα-helixtrans-64.8-46.5172.5-74.5-173.3173.7840.9111.8L98 M149 F153 V154 I155L98-R151 HydrophobicContact CD1-CG 3.84Å; M149-R151 PolarHBondContact O-N 3.38Å; R151-F153 VanDerWaalsContact C-N 3.26Å; R151-F153 PolarHBondContact O-N 3.38Å; R151-V154 PolarHBondContact O-N 3.13Å; R151-I155 WeakPolarHBondContact O-CG1 3.26Å; R151-I155 PolarHBondContact O-N 2.63Å; R151-I155 VanDerWaalsContact O-N 3.07Å
152D93.2Very high86.4Confident97 Ų9770.4 Ų70.452%0.51937%0.369SS..Hα-helixtrans-64.8-38.8177-57-24.5000109.7M149 I155 Q156M149-D152 HydrophobicContact CB-CB 4.35Å; M149-D152 WeakPolarHBondContact CB-OD2 3.18Å; M149-D152 WeakPolarHBondContact O-CB 3.28Å; M149-D152 PolarHBondContact O-N 3.13Å; D152-I155 PolarHBondContact O-N 3.02Å; D152-Q156 PolarHBondContact O-N 3.45Å
153F94.3Very high84.1Confident11 Ų1176.7 Ų76.75%0.04839%0.394CS..Hα-helixtrans-66.3-40.2176.9-171.7-126.4000112.9F101 M136 A139 A140 M149 Y150 R151 Q156 L157F101-F153 HydrophobicContact CE2-CD1 4.3Å; F101-F153 AromaticContact CZ-CD1 3.79Å; F101-F153 HydrophobicContact CZ-CD1 3.79Å; F101-F153 HydrophobicContact CZ-CE1 4.13Å; M136-F153 HydrophobicContact SD-CE1 3.84Å; M136-F153 HydrophobicContact SD-CZ 3.51Å; M136-F153 VanDerWaalsContact SD-CZ 3.51Å; A139-F153 HydrophobicContact CB-CE2 4.48Å; A140-F153 HydrophobicContact CB-CD1 3.93Å; A140-F153 HydrophobicContact CB-CD2 3.85Å; A140-F153 HydrophobicContact CB-CE1 3.77Å; A140-F153 HydrophobicContact CB-CE2 3.71Å; A140-F153 HydrophobicContact CB-CG 3.98Å; A140-F153 HydrophobicContact CB-CZ 3.68Å; M149-F153 PolarHBondContact O-N 2.89Å; M149-F153 VanDerWaalsContact O-N 3.08Å; Y150-F153 PolarHBondContact O-N 3.48Å; R151-F153 VanDerWaalsContact C-N 3.26Å; R151-F153 PolarHBondContact O-N 3.38Å; F153-Q156 WeakPolarHBondContact O-CB 3.3Å; F153-Q156 PolarHBondContact O-N 3.05Å; F153-L157 HydrophobicContact CD1-CD1 4.08Å; F153-L157 HydrophobicContact CE1-CD1 3.76Å; F153-L157 HydrophobicContact CE1-CD2 4.5Å; F153-L157 HydrophobicContact CE1-CG 4.23Å; F153-L157 HydrophobicContact CE2-CD2 4.28Å; F153-L157 HydrophobicContact CE2-CG 4.28Å; F153-L157 HydrophobicContact CZ-CD1 4.06Å; F153-L157 HydrophobicContact CZ-CD2 3.96Å; F153-L157 HydrophobicContact CZ-CG 4.07Å; F153-L157 WeakPolarHBondContact O-CG 3.35Å; F153-L157 PolarHBondContact O-N 3.35Å
154V94.4Very high82.2Confident1 Ų175.1 Ų75.11%0.00639%0.386CS..Hα-helixtrans-62.8-44.2174.1169.30000110.9E94 L97 F101 Y150 R151 Q156 L157 S158E94-V154 HydrophobicContact CB-CG1 4.18Å; E94-V154 HydrophobicContact CG-CG1 3.7Å; L97-V154 HydrophobicContact CB-CG1 3.95Å; L97-V154 HydrophobicContact CB-CG2 3.87Å; L97-V154 HydrophobicContact CD1-CG1 4.33Å; F101-V154 HydrophobicContact CD2-CG2 3.59Å; F101-V154 HydrophobicContact CE2-CG2 3.71Å; Y150-V154 WeakPolarHBondContact O-CB 3.3Å; Y150-V154 WeakPolarHBondContact O-CG2 3.35Å; Y150-V154 PolarHBondContact O-N 2.87Å; R151-V154 PolarHBondContact O-N 3.13Å; V154-Q156 PolarHBondContact O-N 2.62Å; V154-L157 PolarHBondContact O-N 3.37Å; V154-L157 VanDerWaalsContact O-N 3.14Å; V154-S158 PolarHBondContact O-N 3.19Å; V154-S158 PolarHBondContact O-OG 3.24Å
155I91.7Very high79.9Confident81 Ų8176.4 Ų76.442%0.41539%0.39SS..Hα-helixtrans-58.6-41.5174.6-66.8165.5000110.3R151 D152 S158 T159R151-I155 WeakPolarHBondContact O-CG1 3.26Å; R151-I155 PolarHBondContact O-N 2.63Å; R151-I155 VanDerWaalsContact O-N 3.07Å; D152-I155 PolarHBondContact O-N 3.02Å; I155-S158 PolarHBondContact O-N 2.92Å; I155-T159 HydrophobicContact CG2-CG2 4.19Å; I155-T159 WeakPolarHBondContact O-CB 3.5Å; I155-T159 WeakPolarHBondContact O-CG2 3.25Å; I155-T159 PolarHBondContact O-N 3.26Å; I155-T159 PolarHBondContact O-OG1 2.9Å
156Q89.9Confident79.5Confident98 Ų9874.6 Ų74.646%0.45839%0.385SS..Hα-helixtrans-61.2-45.7175.8-178.8-178.1-4.100111.8D152 F153 V154 S158 T159 F160D152-Q156 PolarHBondContact O-N 3.45Å; F153-Q156 WeakPolarHBondContact O-CB 3.3Å; F153-Q156 PolarHBondContact O-N 3.05Å; V154-Q156 PolarHBondContact O-N 2.62Å; Q156-S158 VanDerWaalsContact C-N 3.34Å; Q156-S158 PolarHBondContact O-N 2.78Å; Q156-T159 PolarHBondContact O-N 2.9Å; Q156-T159 PolarHBondContact O-OG1 2.87Å; Q156-F160 WeakPolarHBondContact O-CB 3.34Å; Q156-F160 PolarHBondContact O-N 3.07Å; Q156-F160 VanDerWaalsContact O-N 3.11Å
157L90.1Very high79Confident68 Ų6876.4 Ų76.436%0.35638%0.384SS..Hα-helixtrans-62.3-40.8177.5-70.1173.2000111.9L97 F153 V154L97-L157 HydrophobicContact CD1-CB 4.37Å; L97-L157 HydrophobicContact CD1-CD1 4.38Å; F153-L157 HydrophobicContact CD1-CD1 4.08Å; F153-L157 HydrophobicContact CE1-CD1 3.76Å; F153-L157 HydrophobicContact CE1-CD2 4.5Å; F153-L157 HydrophobicContact CE1-CG 4.23Å; F153-L157 HydrophobicContact CE2-CD2 4.28Å; F153-L157 HydrophobicContact CE2-CG 4.28Å; F153-L157 HydrophobicContact CZ-CD1 4.06Å; F153-L157 HydrophobicContact CZ-CD2 3.96Å; F153-L157 HydrophobicContact CZ-CG 4.07Å; F153-L157 WeakPolarHBondContact O-CG 3.35Å; F153-L157 PolarHBondContact O-N 3.35Å; V154-L157 PolarHBondContact O-N 3.37Å; V154-L157 VanDerWaalsContact O-N 3.14Å
158S84.6Confident78.1Confident36 Ų3676.6 Ų76.625%0.25239%0.387SS..Hα-helixtrans-75.4-31.6-179.2-580000113.5V154 I155 Q156V154-S158 PolarHBondContact O-N 3.19Å; V154-S158 PolarHBondContact O-OG 3.24Å; I155-S158 PolarHBondContact O-N 2.92Å; Q156-S158 VanDerWaalsContact C-N 3.34Å; Q156-S158 PolarHBondContact O-N 2.78Å
159T78.5Confident77Confident67 Ų6781.1 Ų81.141%0.41141%0.41SS..Hα-helixtrans-84.5-18.1179.650.60000114.1I155 Q156 N161 D162I155-T159 HydrophobicContact CG2-CG2 4.19Å; I155-T159 WeakPolarHBondContact O-CB 3.5Å; I155-T159 WeakPolarHBondContact O-CG2 3.25Å; I155-T159 PolarHBondContact O-N 3.26Å; I155-T159 PolarHBondContact O-OG1 2.9Å; Q156-T159 PolarHBondContact O-N 2.9Å; Q156-T159 PolarHBondContact O-OG1 2.87Å; T159-N161 VanDerWaalsContact C-N 3.3Å; T159-N161 PolarHBondContact O-N 3.33Å; T159-D162 PolarHBondContact O-N 2.94Å
160F67.8Low75.8Confident132 Ų13283.3 Ų83.358%0.57942%0.421SS*.Hα-helixtrans-62.8-39.1179.1-168.5-96.8000111.6Q156 D162 K163Q156-F160 WeakPolarHBondContact O-CB 3.34Å; Q156-F160 PolarHBondContact O-N 3.07Å; Q156-F160 VanDerWaalsContact O-N 3.11Å; F160-D162 VanDerWaalsContact C-N 3.25Å; F160-D162 PolarHBondContact O-N 3.33Å; F160-K163 PolarHBondContact O-N 2.65Å
161N58.1Low74.5Confident54 Ų5488.7 Ų88.729%0.28945%0.449SS..THydrogen-bonded Turntrans-67.9-21.6-179.3-82.229.9000114.3G47 P91 T159G47-N161 PolarHBondContact O-ND2 2.89Å; P91-N161 WeakPolarHBondContact CG-ND2 3.17Å; T159-N161 VanDerWaalsContact C-N 3.3Å; T159-N161 PolarHBondContact O-N 3.33Å
162D53.5Low73.1Confident121 Ų12186.4 Ų86.465%0.64745%0.449SS*.THydrogen-bonded Turntrans-83.1-15.1-179-71.4-24.2000113.3T159 F160T159-D162 PolarHBondContact O-N 2.94Å; F160-D162 VanDerWaalsContact C-N 3.25Å; F160-D162 PolarHBondContact O-N 3.33Å
163K43.7Very low71.5Confident177 Ų17785.6 Ų85.677%0.7744%0.443SS*.THydrogen-bonded Turntrans-94.7-16-172.6-74-168.5178.1178.60115.1F160F160-K163 PolarHBondContact O-N 2.65Å
164D43.3Very low69.6Low133 Ų13391.8 Ų91.871%0.71148%0.476SS*.  trans-113.68.1-178.5-69.7-30000113.6
165T39.6Very low67.3Low134 Ų134100.1 Ų100.182%0.82252%0.519SS*.  trans-104.50169.659.40000112.3

Retrieved 165 of 165 residues in 102.2 ms (Link to these results)

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