A0A093H764_STRCA Loading...

Protein jagunal homolog 1

AlphaFold DB , UniProt , Accession A0A093H764, Species STRCA (Struthio camelus australis), Gene n/a, Length 167 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
1A47.3Very low65Low164 Ų164111.9 Ų111.9100%1.35565%0.645SS**  0113.4000000107.8
2G51.6Low65.8Low62 Ų62114.7 Ų114.764%0.63965%0.647SS**  cis-139130.2-12.400000107
3T58.8Low66.5Low139 Ų139118.1 Ų118.185%0.85364%0.644SS**  trans-115.753168.349.70000106.5
4D61.6Low67.1Low102 Ų102114.8 Ų114.855%0.54563%0.629SS.*  trans-68.1135.3161.861.3-38.7000106.2S6 D7D4-S6 PolarHBondContact O-N 3.04Å; D4-S6 PolarHBondContact O-OG 3.37Å; D4-S6 PolarHBondContact OD1-OG 3.22Å; D4-S6 WeakPolarHBondContact OD2-CB 3.19Å; D4-S6 PolarHBondContact OD2-OG 3.38Å; D4-D7 PolarHBondContact O-N 3.15Å
5G62.7Low67.6Low41 Ų41110.5 Ų110.542%0.42362%0.615SS.*THydrogen-bonded Turntrans-59.34.8-175.200000115.4Y8 Q9G5-Y8 PolarHBondContact O-N 2.99Å; G5-Q9 WeakPolarHBondContact O-CB 2.84Å; G5-Q9 VanDerWaalsContact O-CG 3.29Å; G5-Q9 WeakPolarHBondContact O-CG 3.29Å; G5-Q9 PolarHBondContact O-N 3.02Å
6S67.7Low68.1Low55 Ų55107.4 Ų107.439%0.38560%0.603SS.*Hα-helixtrans-61.1-39.3174.666.20000112.5D4 Q9 H10D4-S6 PolarHBondContact O-N 3.04Å; D4-S6 PolarHBondContact O-OG 3.37Å; D4-S6 PolarHBondContact OD1-OG 3.22Å; D4-S6 WeakPolarHBondContact OD2-CB 3.19Å; D4-S6 PolarHBondContact OD2-OG 3.38Å; S6-Q9 PolarHBondContact O-N 3.27Å; S6-H10 VanDerWaalsContact O-CB 3.24Å; S6-H10 WeakPolarHBondContact O-CB 3.46Å; S6-H10 PolarHBondContact O-N 3.13Å
7D72.4Confident68.7Low74 Ų74103.3 Ų103.340%0.39658%0.578SS.*Hα-helixtrans-68.7-38.7176.3-170.434.8000111.5D4 H10 R11D4-D7 PolarHBondContact O-N 3.15Å; D7-H10 PolarHBondContact O-N 2.91Å; D7-R11 WeakPolarHBondContact O-CB 3.27Å; D7-R11 VanDerWaalsContact O-CG 3.27Å; D7-R11 WeakPolarHBondContact O-CG 3.43Å; D7-R11 PolarHBondContact O-N 3.49Å; D7-R11 IonicContact OD1-NE 3.28Å; D7-R11 PolarHBondContact OD1-NE 3.39Å; D7-R11 IonicContact OD1-NH2 2.6Å; D7-R11 IonicContact OD2-CZ 2.78Å; D7-R11 VanDerWaalsContact OD2-CZ 3.28Å; D7-R11 IonicContact OD2-NE 3.33Å; D7-R11 PolarHBondContact OD2-NE 2.83Å; D7-R11 VanDerWaalsContact OD2-NE 3.12Å; D7-R11 IonicContact OD2-NH2 2.74Å; D7-R11 PolarHBondContact OD2-NH2 2.96Å
8Y73Confident69.4Low172 Ų172106.9 Ų106.968%0.67558%0.582SS**Hα-helixtrans-64.4-47.9174.3-78.5-84.7000111.7G5 H10 R11 E12G5-Y8 PolarHBondContact O-N 2.99Å; Y8-H10 VanDerWaalsContact C-N 3.31Å; Y8-H10 PolarHBondContact O-N 3.34Å; Y8-R11 PolarHBondContact O-N 3.47Å; Y8-E12 WeakPolarHBondContact O-CB 3.24Å; Y8-E12 PolarHBondContact O-N 2.93Å
9Q72.2Confident70.3Confident138 Ų138108.7 Ų108.765%0.64559%0.586SS**Hα-helixtrans-61.5-38.8176.7-73.5175.8-8.800112.1G5 S6 R13G5-Q9 WeakPolarHBondContact O-CB 2.84Å; G5-Q9 VanDerWaalsContact O-CG 3.29Å; G5-Q9 WeakPolarHBondContact O-CG 3.29Å; G5-Q9 PolarHBondContact O-N 3.02Å; S6-Q9 PolarHBondContact O-N 3.27Å; Q9-R13 WeakPolarHBondContact O-CB 3.38Å; Q9-R13 PolarHBondContact O-N 3.29Å
10H72.4Confident71.3Confident121 Ų121108.5 Ų108.556%0.5658%0.583SS**Hα-helixtrans-65.3-48176.5-176.173.2000111.7S6 D7 Y8 E12 R13 V14S6-H10 VanDerWaalsContact O-CB 3.24Å; S6-H10 WeakPolarHBondContact O-CB 3.46Å; S6-H10 PolarHBondContact O-N 3.13Å; D7-H10 PolarHBondContact O-N 2.91Å; Y8-H10 VanDerWaalsContact C-N 3.31Å; Y8-H10 PolarHBondContact O-N 3.34Å; H10-E12 PolarHBondContact O-N 3.46Å; H10-R13 PolarHBondContact O-N 2.83Å; H10-V14 WeakPolarHBondContact O-CG2 3.41Å; H10-V14 PolarHBondContact O-N 2.95Å
11R75.1Confident72.2Confident163 Ų163103.6 Ų103.662%0.61556%0.557SS**Hα-helixtrans-62.2-40.4177.6-71.3177.3-168.7-155.17.8112.6D7 Y8 V14 A15D7-R11 WeakPolarHBondContact O-CB 3.27Å; D7-R11 VanDerWaalsContact O-CG 3.27Å; D7-R11 WeakPolarHBondContact O-CG 3.43Å; D7-R11 PolarHBondContact O-N 3.49Å; D7-R11 IonicContact OD1-NE 3.28Å; D7-R11 PolarHBondContact OD1-NE 3.39Å; D7-R11 IonicContact OD1-NH2 2.6Å; D7-R11 IonicContact OD2-CZ 2.78Å; D7-R11 VanDerWaalsContact OD2-CZ 3.28Å; D7-R11 IonicContact OD2-NE 3.33Å; D7-R11 PolarHBondContact OD2-NE 2.83Å; D7-R11 VanDerWaalsContact OD2-NE 3.12Å; D7-R11 IonicContact OD2-NH2 2.74Å; D7-R11 PolarHBondContact OD2-NH2 2.96Å; Y8-R11 PolarHBondContact O-N 3.47Å; R11-V14 PolarHBondContact O-N 2.87Å; R11-A15 VanDerWaalsContact O-CB 3.32Å; R11-A15 WeakPolarHBondContact O-CB 3.47Å; R11-A15 PolarHBondContact O-N 3.41Å
12E74.9Confident74.4Confident145 Ų14599.1 Ų99.168%0.67851%0.513SS*.Hα-helixtrans-65.2-41.4177.4-168.1173.4-167.200111.6Y8 H10 A15 S16Y8-E12 WeakPolarHBondContact O-CB 3.24Å; Y8-E12 PolarHBondContact O-N 2.93Å; H10-E12 PolarHBondContact O-N 3.46Å; E12-A15 PolarHBondContact O-N 3.37Å; E12-S16 WeakPolarHBondContact O-CB 3.42Å; E12-S16 PolarHBondContact O-N 3.03Å; E12-S16 PolarHBondContact O-OG 3.01Å
13R75Confident76.5Confident159 Ų15998.6 Ų98.660%0.650%0.503SS*.Hα-helixtrans-63.1-46.9174.2-172.2170178.6172.4-1.8112.1Q9 H10 A15 S16 H17Q9-R13 WeakPolarHBondContact O-CB 3.38Å; Q9-R13 PolarHBondContact O-N 3.29Å; H10-R13 PolarHBondContact O-N 2.83Å; R13-A15 PolarHBondContact O-N 3.32Å; R13-S16 PolarHBondContact O-N 3.32Å; R13-S16 PolarHBondContact O-OG 3.23Å; R13-H17 PolarHBondContact NE-NE2 3.5Å; R13-H17 PolarHBondContact O-CD2 3.46Å; R13-H17 PolarHBondContact O-N 2.85Å
14V74.9Confident78.2Confident72 Ų7292.6 Ų92.644%0.43647%0.465SS..Hα-helixtrans-62.3-42.5177.2174.40000111.4H10 R11 H17 Y18H10-V14 WeakPolarHBondContact O-CG2 3.41Å; H10-V14 PolarHBondContact O-N 2.95Å; R11-V14 PolarHBondContact O-N 2.87Å; V14-H17 PolarHBondContact O-N 3.22Å; V14-Y18 PolarHBondContact O-N 3.47Å
15A74.1Confident79.9Confident51 Ų5189.3 Ų89.342%0.42145%0.446SS..Hα-helixtrans-62.5-43.8177.700000112.2R11 E12 R13 Y18 Q19R11-A15 VanDerWaalsContact O-CB 3.32Å; R11-A15 WeakPolarHBondContact O-CB 3.47Å; R11-A15 PolarHBondContact O-N 3.41Å; E12-A15 PolarHBondContact O-N 3.37Å; R13-A15 PolarHBondContact O-N 3.32Å; A15-Y18 PolarHBondContact O-N 3.42Å; A15-Q19 WeakPolarHBondContact O-CG 3.28Å; A15-Q19 PolarHBondContact O-N 3.24Å
16S75.2Confident81.6Confident60 Ų6090.3 Ų90.342%0.4245%0.446SS..Hα-helixtrans-65.2-40177.3620000112.9E12 R13 Y18 Q19 M20E12-S16 WeakPolarHBondContact O-CB 3.42Å; E12-S16 PolarHBondContact O-N 3.03Å; E12-S16 PolarHBondContact O-OG 3.01Å; R13-S16 PolarHBondContact O-N 3.32Å; R13-S16 PolarHBondContact O-OG 3.23Å; S16-Y18 PolarHBondContact O-N 2.87Å; S16-Q19 PolarHBondContact O-N 3.04Å; S16-M20 WeakPolarHBondContact O-CB 3.24Å; S16-M20 PolarHBondContact O-N 2.9Å
17H78.9Confident83Confident38 Ų3890.9 Ų90.918%0.17644%0.443CS..Hα-helixtrans-61.8-43173.5-76.9-65.1000112.1R13 V14 M20 S21R13-H17 PolarHBondContact NE-NE2 3.5Å; R13-H17 PolarHBondContact O-CD2 3.46Å; R13-H17 PolarHBondContact O-N 2.85Å; V14-H17 PolarHBondContact O-N 3.22Å; H17-M20 PolarHBondContact O-N 3.34Å; H17-S21 PolarHBondContact O-N 2.93Å
18Y81.7Confident84.2Confident168 Ų16887.4 Ų87.466%0.65942%0.424SS*.Hα-helixtrans-64.3-47176.8-176.2-97.6000112V14 A15 S16 M20 S21 V22V14-Y18 PolarHBondContact O-N 3.47Å; A15-Y18 PolarHBondContact O-N 3.42Å; S16-Y18 PolarHBondContact O-N 2.87Å; Y18-M20 VanDerWaalsContact C-N 3.33Å; Y18-M20 PolarHBondContact O-N 2.85Å; Y18-S21 PolarHBondContact O-N 2.87Å; Y18-V22 HydrophobicContact CD1-CG2 4.11Å; Y18-V22 HydrophobicContact CE1-CG2 3.69Å; Y18-V22 HydrophobicContact CE2-CG2 4.35Å; Y18-V22 WeakPolarHBondContact O-CG2 3.36Å; Y18-V22 PolarHBondContact O-N 3.47Å
19Q86.4Confident85.4Confident141 Ų14183.3 Ų83.366%0.65941%0.41SS*.Hα-helixtrans-59.6-43177.4-75.6-170.9-15.500112A15 S16 V22 A23A15-Q19 WeakPolarHBondContact O-CG 3.28Å; A15-Q19 PolarHBondContact O-N 3.24Å; S16-Q19 PolarHBondContact O-N 3.04Å; Q19-V22 PolarHBondContact O-N 3.17Å; Q19-A23 WeakPolarHBondContact O-CB 3.42Å; Q19-A23 PolarHBondContact O-N 3.31Å
20M89.8Confident86.7Confident104 Ų10481.7 Ų81.751%0.51240%0.401SS..Hα-helixtrans-60.8-46.2175.8-175.562.668.500111.6S16 H17 Y18 V22 A23 L24S16-M20 WeakPolarHBondContact O-CB 3.24Å; S16-M20 PolarHBondContact O-N 2.9Å; H17-M20 PolarHBondContact O-N 3.34Å; Y18-M20 VanDerWaalsContact C-N 3.33Å; Y18-M20 PolarHBondContact O-N 2.85Å; M20-V22 PolarHBondContact O-N 3.39Å; M20-A23 PolarHBondContact O-N 3.34Å; M20-L24 HydrophobicContact CG-CD1 3.84Å; M20-L24 HydrophobicContact CG-CG 4.46Å; M20-L24 WeakPolarHBondContact O-CB 3.49Å; M20-L24 VanDerWaalsContact O-CG 3.31Å; M20-L24 WeakPolarHBondContact O-CG 3.22Å; M20-L24 PolarHBondContact O-N 3.27Å; M20-L24 HydrophobicContact SD-CD1 4.05Å; M20-L24 HydrophobicContact SD-CG 4.22Å
21S91.1Very high87.9Confident7 Ų777.2 Ų77.25%0.04938%0.381CS..Hα-helixtrans-62.5-42.3178.5-172.70000112.2H17 Y18 K25 L160 W164H17-S21 PolarHBondContact O-N 2.93Å; Y18-S21 PolarHBondContact O-N 2.87Å; S21-K25 WeakPolarHBondContact O-CB 3.29Å; S21-K25 WeakPolarHBondContact O-CG 3.42Å; S21-K25 PolarHBondContact O-N 3.38Å; S21-L160 VanDerWaalsContact OG-CD1 3.26Å; S21-L160 WeakPolarHBondContact OG-CD1 3.37Å; S21-W164 PolarHBondContact OG-NE1 3.1Å
22V92.9Very high89Confident69 Ų6969.5 Ų69.542%0.41835%0.352SS..Hα-helixtrans-63.4-45.7177.3172.20000111.2Y18 Q19 M20 K25 S26Y18-V22 HydrophobicContact CD1-CG2 4.11Å; Y18-V22 HydrophobicContact CE1-CG2 3.69Å; Y18-V22 HydrophobicContact CE2-CG2 4.35Å; Y18-V22 WeakPolarHBondContact O-CG2 3.36Å; Y18-V22 PolarHBondContact O-N 3.47Å; Q19-V22 PolarHBondContact O-N 3.17Å; M20-V22 PolarHBondContact O-N 3.39Å; V22-K25 PolarHBondContact O-N 3.46Å; V22-S26 PolarHBondContact O-N 3.11Å
23A94.9Very high90.1Very high52 Ų5269.4 Ų69.443%0.4335%0.346SS..Hα-helixtrans-60.2-49.917800000111.5Q19 M20 K25 S26 E27Q19-A23 WeakPolarHBondContact O-CB 3.42Å; Q19-A23 PolarHBondContact O-N 3.31Å; M20-A23 PolarHBondContact O-N 3.34Å; A23-K25 PolarHBondContact O-N 3Å; A23-S26 WeakPolarHBondContact O-CB 3.3Å; A23-S26 PolarHBondContact O-N 3.49Å; A23-S26 VanDerWaalsContact O-N 3.12Å; A23-E27 PolarHBondContact O-N 3.08Å
24L96Very high91.2Very high12 Ų1267.2 Ų67.26%0.06334%0.344CS..Hα-helixtrans-62.6-42179.6-70.6169.5000112.5M20 S26 E27 I28 Y156 K159 L160M20-L24 HydrophobicContact CG-CD1 3.84Å; M20-L24 HydrophobicContact CG-CG 4.46Å; M20-L24 WeakPolarHBondContact O-CB 3.49Å; M20-L24 VanDerWaalsContact O-CG 3.31Å; M20-L24 WeakPolarHBondContact O-CG 3.22Å; M20-L24 PolarHBondContact O-N 3.27Å; M20-L24 HydrophobicContact SD-CD1 4.05Å; M20-L24 HydrophobicContact SD-CG 4.22Å; L24-S26 VanDerWaalsContact C-N 3.28Å; L24-S26 PolarHBondContact O-N 3.36Å; L24-E27 PolarHBondContact O-N 3.23Å; L24-I28 WeakPolarHBondContact O-CD1 3.39Å; L24-I28 VanDerWaalsContact O-CG1 3.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.3Å; L24-I28 PolarHBondContact O-N 3.3Å; L24-Y156 HydrophobicContact CD2-CD1 3.72Å; L24-Y156 HydrophobicContact CD2-CG 4.38Å; L24-K159 HydrophobicContact CD1-CB 3.89Å; L24-K159 HydrophobicContact CD2-CB 4.04Å; L24-K159 HydrophobicContact CD2-CD 4.39Å; L24-L160 HydrophobicContact CB-CB 4.23Å; L24-L160 HydrophobicContact CB-CD1 4.14Å; L24-L160 HydrophobicContact CD1-CB 4.21Å
25K97.1Very high92.3Very high34 Ų3463.8 Ų63.815%0.14832%0.323CS..Hα-helixtrans-58.6-41.1173.8-75.1173.4-178.6-175.90111.8S21 V22 A23 I28 K29 F83 N86 L160S21-K25 WeakPolarHBondContact O-CB 3.29Å; S21-K25 WeakPolarHBondContact O-CG 3.42Å; S21-K25 PolarHBondContact O-N 3.38Å; V22-K25 PolarHBondContact O-N 3.46Å; A23-K25 PolarHBondContact O-N 3Å; K25-I28 PolarHBondContact O-N 3.49Å; K25-K29 VanDerWaalsContact O-CG 3.29Å; K25-K29 WeakPolarHBondContact O-CG 3.33Å; K25-K29 PolarHBondContact O-N 2.87Å; K25-F83 HydrophobicContact CD-CB 4.21Å; K25-F83 HydrophobicContact CD-CD1 4.35Å; K25-F83 HydrophobicContact CD-CG 4.29Å; K25-F83 HydrophobicContact CG-CD1 3.82Å; K25-F83 HydrophobicContact CG-CE1 4.13Å; K25-F83 HydrophobicContact CG-CG 4.05Å; K25-F83 PolarHBondContact NZ-O 3.2Å; K25-N86 WeakPolarHBondContact CE-OD1 3.39Å; K25-N86 PolarHBondContact NZ-OD1 2.87Å; K25-L160 HydrophobicContact CG-CD1 4.22Å; K25-L160 HydrophobicContact CG-CD2 3.95Å
26S97.3Very high93.5Very high61 Ų6163.4 Ų63.443%0.42732%0.316SS..Hα-helixtrans-63.6-46.1178-170.60000111.6V22 A23 L24 I28 K29 K30V22-S26 PolarHBondContact O-N 3.11Å; A23-S26 WeakPolarHBondContact O-CB 3.3Å; A23-S26 PolarHBondContact O-N 3.49Å; A23-S26 VanDerWaalsContact O-N 3.12Å; L24-S26 VanDerWaalsContact C-N 3.28Å; L24-S26 PolarHBondContact O-N 3.36Å; S26-I28 PolarHBondContact O-N 3.25Å; S26-K29 PolarHBondContact O-N 3.49Å; S26-K30 PolarHBondContact O-N 2.86Å
27E97.9Very high94.6Very high68 Ų6862.8 Ų62.832%0.31831%0.314SS..Hα-helixtrans-59.6-46.4175.4-66.2-52.913800112A23 L24 K29 K30 L31 Y156A23-E27 PolarHBondContact O-N 3.08Å; L24-E27 PolarHBondContact O-N 3.23Å; E27-K29 VanDerWaalsContact C-N 3.35Å; E27-K29 PolarHBondContact O-N 3.38Å; E27-K30 VanDerWaalsContact CD-CE 3.46Å; E27-K30 PolarHBondContact O-N 2.99Å; E27-K30 WeakPolarHBondContact OE1-CE 3.5Å; E27-K30 IonicContact OE1-NZ 2.8Å; E27-K30 PolarHBondContact OE1-NZ 3.33Å; E27-K30 WeakPolarHBondContact OE2-CE 3.48Å; E27-K30 IonicContact OE2-NZ 2.71Å; E27-K30 PolarHBondContact OE2-NZ 3.31Å; E27-L31 WeakPolarHBondContact O-CG 3.27Å; E27-L31 PolarHBondContact O-N 3.15Å; E27-L31 VanDerWaalsContact O-N 3.1Å; E27-Y156 HydrophobicContact CB-CD2 4.06Å; E27-Y156 HydrophobicContact CB-CE2 4.16Å; E27-Y156 HydrophobicContact CB-CG 4.37Å
28I98.1Very high95.5Very high1 Ų162.1 Ų62.11%0.00531%0.312CS..Hα-helixtrans-63.7-40.2178.4-62161.5000111L24 K25 S26 K30 L31 I32 F83 Q153 L160L24-I28 WeakPolarHBondContact O-CD1 3.39Å; L24-I28 VanDerWaalsContact O-CG1 3.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.3Å; L24-I28 PolarHBondContact O-N 3.3Å; K25-I28 PolarHBondContact O-N 3.49Å; S26-I28 PolarHBondContact O-N 3.25Å; I28-K30 PolarHBondContact O-N 3.37Å; I28-L31 PolarHBondContact O-N 3.36Å; I28-I32 HydrophobicContact CG2-CD1 3.79Å; I28-I32 HydrophobicContact CG2-CG1 4.27Å; I28-I32 WeakPolarHBondContact O-CG1 3.37Å; I28-I32 PolarHBondContact O-N 3.22Å; I28-F83 HydrophobicContact CB-CZ 3.9Å; I28-F83 HydrophobicContact CD1-CE1 4.45Å; I28-F83 HydrophobicContact CD1-CZ 4.36Å; I28-F83 HydrophobicContact CG2-CE2 4.45Å; I28-F83 HydrophobicContact CG2-CZ 3.65Å; I28-Q153 HydrophobicContact CG2-CG 4.34Å; I28-L160 HydrophobicContact CD1-CB 4.22Å; I28-L160 HydrophobicContact CD1-CD2 3.65Å
29K98.1Very high96.3Very high85 Ų8556.3 Ų56.337%0.3729%0.289SS..Hα-helixtrans-60.1-44.5175.8-76.8178.1-176.5-1790112.1K25 S26 E27 L31 I32 Y33 L80 F83K25-K29 VanDerWaalsContact O-CG 3.29Å; K25-K29 WeakPolarHBondContact O-CG 3.33Å; K25-K29 PolarHBondContact O-N 2.87Å; S26-K29 PolarHBondContact O-N 3.49Å; E27-K29 VanDerWaalsContact C-N 3.35Å; E27-K29 PolarHBondContact O-N 3.38Å; K29-L31 VanDerWaalsContact C-N 3.32Å; K29-L31 PolarHBondContact O-N 2.81Å; K29-I32 PolarHBondContact O-N 3.35Å; K29-Y33 HydrophobicContact CB-CE2 4.28Å; K29-Y33 VanDerWaalsContact O-CD2 3.27Å; K29-Y33 WeakPolarHBondContact O-CD2 3.26Å; K29-Y33 PolarHBondContact O-N 3.11Å; K29-L80 HydrophobicContact CG-CD2 3.95Å; K29-F83 HydrophobicContact CD-CD2 4.48Å; K29-F83 HydrophobicContact CD-CE2 4.5Å; K29-F83 HydrophobicContact CG-CD2 4.09Å; K29-F83 HydrophobicContact CG-CE2 3.66Å
30K98.3Very high96.9Very high105 Ų10554 Ų5446%0.45728%0.281SS..Hα-helixtrans-58.1-46.4176.4-72.3-177-68173.20110.9S26 E27 I28 I32 Y33 M34S26-K30 PolarHBondContact O-N 2.86Å; E27-K30 VanDerWaalsContact CD-CE 3.46Å; E27-K30 PolarHBondContact O-N 2.99Å; E27-K30 WeakPolarHBondContact OE1-CE 3.5Å; E27-K30 IonicContact OE1-NZ 2.8Å; E27-K30 PolarHBondContact OE1-NZ 3.33Å; E27-K30 WeakPolarHBondContact OE2-CE 3.48Å; E27-K30 IonicContact OE2-NZ 2.71Å; E27-K30 PolarHBondContact OE2-NZ 3.31Å; I28-K30 PolarHBondContact O-N 3.37Å; K30-I32 PolarHBondContact O-N 2.82Å; K30-Y33 PolarHBondContact O-N 3.32Å; K30-M34 WeakPolarHBondContact O-CG 3.46Å; K30-M34 PolarHBondContact O-N 3.34Å
31L98.4Very high97.2Very high26 Ų2655.1 Ų55.114%0.13629%0.288CS..Hα-helixtrans-63.5-39.7177-68.1167000112.5E27 I28 K29 Y33 M34 H35 V149 W152 Q153 Y156E27-L31 WeakPolarHBondContact O-CG 3.27Å; E27-L31 PolarHBondContact O-N 3.15Å; E27-L31 VanDerWaalsContact O-N 3.1Å; I28-L31 PolarHBondContact O-N 3.36Å; K29-L31 VanDerWaalsContact C-N 3.32Å; K29-L31 PolarHBondContact O-N 2.81Å; L31-Y33 PolarHBondContact O-N 3.18Å; L31-M34 PolarHBondContact O-N 3.43Å; L31-H35 WeakPolarHBondContact O-CB 3.28Å; L31-H35 PolarHBondContact O-N 2.83Å; L31-V149 HydrophobicContact CB-CG1 4.35Å; L31-V149 HydrophobicContact CD2-CG1 4.33Å; L31-V149 WeakPolarHBondContact O-CG1 3.17Å; L31-W152 HydrophobicContact CD1-CB 3.7Å; L31-W152 HydrophobicContact CD2-CB 4.14Å; L31-Q153 HydrophobicContact CB-CB 4.48Å; L31-Q153 HydrophobicContact CD1-CB 4.3Å; L31-Y156 HydrophobicContact CD1-CD2 3.64Å; L31-Y156 HydrophobicContact CD1-CE2 3.97Å
32I98.2Very high97.6Very high1 Ų155.1 Ų55.11%0.00529%0.287CS..Hα-helixtrans-62.6-41.3174.4-72.4170.6000111.1I28 K29 K30 H35 V36 L80I28-I32 HydrophobicContact CG2-CD1 3.79Å; I28-I32 HydrophobicContact CG2-CG1 4.27Å; I28-I32 WeakPolarHBondContact O-CG1 3.37Å; I28-I32 PolarHBondContact O-N 3.22Å; K29-I32 PolarHBondContact O-N 3.35Å; K30-I32 PolarHBondContact O-N 2.82Å; I32-H35 WeakPolarHBondContact O-CB 3.32Å; I32-H35 PolarHBondContact O-N 3.14Å; I32-V36 HydrophobicContact CG2-CG2 4.34Å; I32-V36 VanDerWaalsContact O-CG2 3.27Å; I32-V36 WeakPolarHBondContact O-CG2 3.5Å; I32-V36 PolarHBondContact O-N 2.77Å; I32-L80 HydrophobicContact CD1-CD2 3.86Å; I32-L80 HydrophobicContact CD1-CG 3.89Å; I32-L80 HydrophobicContact CG2-CD1 3.99Å; I32-L80 HydrophobicContact CG2-CD2 4.34Å; I32-L80 HydrophobicContact CG2-CG 4.18Å
33Y98Very high97.8Very high144 Ų14454.4 Ų54.457%0.56528%0.281SS*.Hα-helixtrans-65.7-39.4176.1-62.5-36.9000112.4K29 K30 L31 H35 V36 A37K29-Y33 HydrophobicContact CB-CE2 4.28Å; K29-Y33 VanDerWaalsContact O-CD2 3.27Å; K29-Y33 WeakPolarHBondContact O-CD2 3.26Å; K29-Y33 PolarHBondContact O-N 3.11Å; K30-Y33 PolarHBondContact O-N 3.32Å; L31-Y33 PolarHBondContact O-N 3.18Å; Y33-H35 VanDerWaalsContact C-N 3.34Å; Y33-V36 PolarHBondContact O-N 3.32Å; Y33-A37 PolarHBondContact O-N 2.92Å
34M98.3Very high97.9Very high112 Ų11254.4 Ų54.455%0.55228%0.281SS*.Hα-helixtrans-61.8-43172.3-65.6-58.7-66.400111.5K30 L31 A37 I38 V149K30-M34 WeakPolarHBondContact O-CG 3.46Å; K30-M34 PolarHBondContact O-N 3.34Å; L31-M34 PolarHBondContact O-N 3.43Å; M34-A37 WeakPolarHBondContact O-CB 3.44Å; M34-A37 PolarHBondContact O-N 3.23Å; M34-I38 WeakPolarHBondContact O-CG1 3.32Å; M34-I38 PolarHBondContact O-N 3.28Å; M34-I38 VanDerWaalsContact O-N 3.1Å; M34-V149 HydrophobicContact CB-CG2 4.4Å
35H98.4Very high97.9Very high0 Ų054.9 Ų54.90%028%0.283CS..Hα-helixtrans-61.1-46.4174.8176.759.8000112.1L31 I32 Y33 A37 I38 W39 Y69 S72 S76 V149 H150L31-H35 WeakPolarHBondContact O-CB 3.28Å; L31-H35 PolarHBondContact O-N 2.83Å; I32-H35 WeakPolarHBondContact O-CB 3.32Å; I32-H35 PolarHBondContact O-N 3.14Å; Y33-H35 VanDerWaalsContact C-N 3.34Å; H35-A37 VanDerWaalsContact C-N 3.27Å; H35-A37 PolarHBondContact O-N 3.49Å; H35-I38 PolarHBondContact O-N 3.27Å; H35-W39 WeakPolarHBondContact O-CB 3.07Å; H35-W39 PolarHBondContact O-N 3.07Å; H35-Y69 AromaticContact CE1-CZ 3.9Å; H35-Y69 PolarHBondContact CE1-OH 3.23Å; H35-Y69 PolarHBondContact ND1-OH 3.01Å; H35-S72 PolarHBondContact CE1-OG 3.48Å; H35-S72 PolarHBondContact NE2-O 3.06Å; H35-S72 PolarHBondContact NE2-OG 3.1Å; H35-S72 VanDerWaalsContact NE2-OG 3.12Å; H35-S76 PolarHBondContact CD2-OG 3.32Å; H35-V149 HydrophobicContact CB-CG1 4.09Å; H35-H150 AromaticContact CE1-CE1 3.51Å; H35-H150 AromaticContact CE1-NE2 3.44Å; H35-H150 PolarHBondContact CE1-NE2 2.94Å; H35-H150 AromaticContact CG-CE1 3.71Å; H35-H150 AromaticContact ND1-CE1 3.22Å; H35-H150 PolarHBondContact ND1-CE1 3.3Å; H35-H150 AromaticContact ND1-NE2 3.14Å; H35-H150 PolarHBondContact ND1-NE2 3.36Å; H35-H150 VanDerWaalsContact ND1-NE2 3.14Å
36V98.4Very high97.8Very high44 Ų4454.1 Ų54.127%0.26728%0.28SS..Hα-helixtrans-59.3-39.3176.9169.30000111.1I32 Y33 W39 L40 I73I32-V36 HydrophobicContact CG2-CG2 4.34Å; I32-V36 VanDerWaalsContact O-CG2 3.27Å; I32-V36 WeakPolarHBondContact O-CG2 3.5Å; I32-V36 PolarHBondContact O-N 2.77Å; Y33-V36 PolarHBondContact O-N 3.32Å; V36-W39 PolarHBondContact O-N 3Å; V36-L40 HydrophobicContact CG1-CD1 3.96Å; V36-L40 HydrophobicContact CG1-CG 4.31Å; V36-L40 WeakPolarHBondContact O-CB 3.33Å; V36-L40 VanDerWaalsContact O-CG 3.29Å; V36-L40 WeakPolarHBondContact O-CG 3.45Å; V36-L40 PolarHBondContact O-N 3.44Å; V36-I73 HydrophobicContact CG2-CD1 3.81Å
37A98.4Very high97.8Very high47 Ų4753.8 Ų53.839%0.38828%0.277SS..Hα-helixtrans-62.4-47.4175.300000111.8Y33 M34 H35 W39 L40 L41Y33-A37 PolarHBondContact O-N 2.92Å; M34-A37 WeakPolarHBondContact O-CB 3.44Å; M34-A37 PolarHBondContact O-N 3.23Å; H35-A37 VanDerWaalsContact C-N 3.27Å; H35-A37 PolarHBondContact O-N 3.49Å; A37-W39 VanDerWaalsContact C-N 3.33Å; A37-W39 PolarHBondContact O-N 3.45Å; A37-L40 PolarHBondContact O-N 3.23Å; A37-L41 WeakPolarHBondContact O-CG 3.46Å; A37-L41 PolarHBondContact O-N 2.85Å; A37-L41 VanDerWaalsContact O-N 3.11Å
38I98.1Very high97.7Very high24 Ų2452 Ų5212%0.12327%0.27CS..Hα-helixtrans-60.1-45.2175.5-65.2166000110.6M34 H35 L40 L41 L42 V142 V145 V149M34-I38 WeakPolarHBondContact O-CG1 3.32Å; M34-I38 PolarHBondContact O-N 3.28Å; M34-I38 VanDerWaalsContact O-N 3.1Å; H35-I38 PolarHBondContact O-N 3.27Å; I38-L40 PolarHBondContact O-N 3.21Å; I38-L41 PolarHBondContact O-N 3.29Å; I38-L42 HydrophobicContact CG2-CD1 4.28Å; I38-L42 PolarHBondContact O-N 3.42Å; I38-V142 HydrophobicContact CG2-CG1 4.13Å; I38-V145 HydrophobicContact CD1-CG1 3.99Å; I38-V149 HydrophobicContact CD1-CG2 4.37Å
39W98.5Very high97.4Very high45 Ų4552 Ų5217%0.1727%0.271CS..Hα-helixtrans-62.1-43.3-179.8-175.693.4000112.2H35 V36 A37 L41 L42 L43 L70 I73H35-W39 WeakPolarHBondContact O-CB 3.07Å; H35-W39 PolarHBondContact O-N 3.07Å; V36-W39 PolarHBondContact O-N 3Å; A37-W39 VanDerWaalsContact C-N 3.33Å; A37-W39 PolarHBondContact O-N 3.45Å; W39-L41 VanDerWaalsContact C-N 3.32Å; W39-L41 PolarHBondContact O-N 3.45Å; W39-L42 PolarHBondContact O-N 2.93Å; W39-L43 HydrophobicContact CE3-CB 4.49Å; W39-L43 HydrophobicContact CE3-CD2 4.44Å; W39-L43 HydrophobicContact CH2-CD2 3.6Å; W39-L43 HydrophobicContact CZ2-CD2 4.45Å; W39-L43 HydrophobicContact CZ3-CB 4.39Å; W39-L43 HydrophobicContact CZ3-CD2 3.59Å; W39-L43 WeakPolarHBondContact O-CB 3.32Å; W39-L43 PolarHBondContact O-N 3.07Å; W39-L70 HydrophobicContact CZ2-CD2 4.43Å; W39-L70 PolarHBondContact NE1-O 3.29Å; W39-I73 HydrophobicContact CD2-CB 4.43Å; W39-I73 HydrophobicContact CZ2-CB 4.34Å; W39-I73 HydrophobicContact CZ2-CG2 4.16Å
40L98.4Very high97.2Very high94 Ų9453 Ų5349%0.49228%0.277SS..Hα-helixtrans-63.6-38176-75.7171.2000111.9V36 A37 I38 A44V36-L40 HydrophobicContact CG1-CD1 3.96Å; V36-L40 HydrophobicContact CG1-CG 4.31Å; V36-L40 WeakPolarHBondContact O-CB 3.33Å; V36-L40 VanDerWaalsContact O-CG 3.29Å; V36-L40 WeakPolarHBondContact O-CG 3.45Å; V36-L40 PolarHBondContact O-N 3.44Å; A37-L40 PolarHBondContact O-N 3.23Å; I38-L40 PolarHBondContact O-N 3.21Å; L40-A44 VanDerWaalsContact O-CB 3.24Å; L40-A44 WeakPolarHBondContact O-CB 3.37Å; L40-A44 PolarHBondContact O-N 2.88Å
41L97.5Very high97.1Very high126 Ų12653.8 Ų53.866%0.6629%0.285SS*.Hα-helixtrans-65.9-43.7176.1-69.4172.2000111.8A37 I38 W39 A44 Q45A37-L41 WeakPolarHBondContact O-CG 3.46Å; A37-L41 PolarHBondContact O-N 2.85Å; A37-L41 VanDerWaalsContact O-N 3.11Å; I38-L41 PolarHBondContact O-N 3.29Å; W39-L41 VanDerWaalsContact C-N 3.32Å; W39-L41 PolarHBondContact O-N 3.45Å; L41-A44 PolarHBondContact O-N 2.83Å; L41-Q45 WeakPolarHBondContact O-CB 3.35Å; L41-Q45 PolarHBondContact O-N 2.97Å
42L97.6Very high96.8Very high8 Ų859.9 Ų59.94%0.04231%0.311CS..Hα-helixtrans-65.5-42.8175.1-71.8177000111.8I38 W39 A44 Q45 M46 W65 Y69 M139 V142I38-L42 HydrophobicContact CG2-CD1 4.28Å; I38-L42 PolarHBondContact O-N 3.42Å; W39-L42 PolarHBondContact O-N 2.93Å; L42-A44 VanDerWaalsContact C-N 3.34Å; L42-A44 PolarHBondContact O-N 3.22Å; L42-Q45 PolarHBondContact O-N 3.48Å; L42-M46 WeakPolarHBondContact O-CB 3.27Å; L42-M46 PolarHBondContact O-N 3.37Å; L42-W65 HydrophobicContact CD1-CH2 4.22Å; L42-W65 HydrophobicContact CD1-CZ3 4.44Å; L42-Y69 HydrophobicContact CD1-CD1 3.56Å; L42-Y69 HydrophobicContact CD1-CE1 3.62Å; L42-M139 HydrophobicContact CD2-CE 4.26Å; L42-M139 HydrophobicContact CD2-SD 4.17Å; L42-V142 HydrophobicContact CD1-CG1 4.45Å; L42-V142 HydrophobicContact CD2-CG1 4.38Å
43L98.1Very high96.6Very high53 Ų5365.3 Ų65.328%0.27734%0.339SS..Hα-helixtrans-60.3-46.2175.1-179.668.2000110.9W39 Q45 M46 C47 L70W39-L43 HydrophobicContact CE3-CB 4.49Å; W39-L43 HydrophobicContact CE3-CD2 4.44Å; W39-L43 HydrophobicContact CH2-CD2 3.6Å; W39-L43 HydrophobicContact CZ2-CD2 4.45Å; W39-L43 HydrophobicContact CZ3-CB 4.39Å; W39-L43 HydrophobicContact CZ3-CD2 3.59Å; W39-L43 WeakPolarHBondContact O-CB 3.32Å; W39-L43 PolarHBondContact O-N 3.07Å; L43-Q45 PolarHBondContact O-N 2.86Å; L43-M46 PolarHBondContact O-N 2.97Å; L43-C47 WeakPolarHBondContact O-CB 3.37Å; L43-C47 PolarHBondContact O-N 2.93Å; L43-C47 PolarHBondContact O-SG 3.34Å; L43-L70 HydrophobicContact CB-CD2 4.34Å; L43-L70 HydrophobicContact CD1-CD1 4.29Å; L43-L70 HydrophobicContact CD1-CD2 4.42Å
44A96.7Very high96.3Very high52 Ų5261.2 Ų61.243%0.4333%0.327SS..Hα-helixtrans-61.1-45.5178.100000111.4L40 L41 L42 M46 C47 V48L40-A44 VanDerWaalsContact O-CB 3.24Å; L40-A44 WeakPolarHBondContact O-CB 3.37Å; L40-A44 PolarHBondContact O-N 2.88Å; L41-A44 PolarHBondContact O-N 2.83Å; L42-A44 VanDerWaalsContact C-N 3.34Å; L42-A44 PolarHBondContact O-N 3.22Å; A44-M46 VanDerWaalsContact C-N 3.34Å; A44-M46 PolarHBondContact O-N 3.14Å; A44-C47 PolarHBondContact O-N 3.49Å; A44-V48 WeakPolarHBondContact O-CB 3.44Å; A44-V48 VanDerWaalsContact O-CG2 3.27Å; A44-V48 WeakPolarHBondContact O-CG2 3.49Å; A44-V48 PolarHBondContact O-N 3.19Å
45Q95.8Very high95.9Very high22 Ų2259 Ų5910%0.10332%0.321CS..Hα-helixtrans-60.1-43.9175.6177.1-83.4-25.700111.5L41 L42 L43 V48 G49 V59 A60 E66L41-Q45 WeakPolarHBondContact O-CB 3.35Å; L41-Q45 PolarHBondContact O-N 2.97Å; L42-Q45 PolarHBondContact O-N 3.48Å; L43-Q45 PolarHBondContact O-N 2.86Å; Q45-V48 PolarHBondContact O-N 3.22Å; Q45-G49 PolarHBondContact O-N 3.44Å; Q45-V59 HydrophobicContact CG-CG1 3.83Å; Q45-A60 PolarHBondContact NE2-O 3.02Å; Q45-E66 PolarHBondContact OE1-OE2 2.84Å; Q45-E66 VanDerWaalsContact OE1-OE2 3.04Å
46M96.1Very high95.4Very high18 Ų1863.3 Ų63.39%0.08934%0.341CS..Hα-helixtrans-63.7-44.5177-178.7170.1-65.300112L42 L43 A44 G49 H50 P62 E66 Y67 L70L42-M46 WeakPolarHBondContact O-CB 3.27Å; L42-M46 PolarHBondContact O-N 3.37Å; L43-M46 PolarHBondContact O-N 2.97Å; A44-M46 VanDerWaalsContact C-N 3.34Å; A44-M46 PolarHBondContact O-N 3.14Å; M46-G49 PolarHBondContact O-N 3.44Å; M46-H50 PolarHBondContact O-CD2 2.97Å; M46-H50 VanDerWaalsContact O-CD2 3.32Å; M46-H50 PolarHBondContact O-N 2.98Å; M46-P62 HydrophobicContact CB-CG 3.9Å; M46-P62 HydrophobicContact CE-CB 3.83Å; M46-P62 HydrophobicContact CE-CG 3.93Å; M46-P62 HydrophobicContact CG-CG 3.84Å; M46-E66 HydrophobicContact CE-CB 4.01Å; M46-Y67 HydrophobicContact CE-CD1 3.45Å; M46-Y67 VanDerWaalsContact CE-CD1 3.45Å; M46-Y67 HydrophobicContact CE-CD2 4.24Å; M46-Y67 HydrophobicContact CE-CE1 3.56Å; M46-Y67 HydrophobicContact CE-CE2 4.33Å; M46-Y67 HydrophobicContact CE-CG 3.82Å; M46-Y67 HydrophobicContact SD-CD1 3.75Å; M46-Y67 HydrophobicContact SD-CE1 3.76Å; M46-L70 HydrophobicContact CE-CD1 4.1Å; M46-L70 HydrophobicContact SD-CD1 3.52Å; M46-L70 VanDerWaalsContact SD-CD1 3.52Å
47C96.4Very high94.8Very high54 Ų5466.4 Ų66.437%0.36536%0.356SS..Hα-helixtrans-61.9-45.8175.3-71.90000111.7L43 A44 G49 H50 L51L43-C47 WeakPolarHBondContact O-CB 3.37Å; L43-C47 PolarHBondContact O-N 2.93Å; L43-C47 PolarHBondContact O-SG 3.34Å; A44-C47 PolarHBondContact O-N 3.49Å; C47-G49 VanDerWaalsContact C-N 3.3Å; C47-G49 PolarHBondContact O-N 3.21Å; C47-H50 PolarHBondContact O-N 3.01Å; C47-L51 HydrophobicContact CB-CD1 4.47Å; C47-L51 WeakPolarHBondContact O-CB 3.14Å; C47-L51 VanDerWaalsContact O-CG 3.29Å; C47-L51 WeakPolarHBondContact O-CG 3.38Å; C47-L51 PolarHBondContact O-N 3.5Å
48V95.7Very high94.4Very high30 Ų3068.1 Ų68.118%0.18236%0.356CS..Hα-helixtrans-59-43.6177.3167.40000111.2A44 Q45 K52 L53 L54 V59A44-V48 WeakPolarHBondContact O-CB 3.44Å; A44-V48 VanDerWaalsContact O-CG2 3.27Å; A44-V48 WeakPolarHBondContact O-CG2 3.49Å; A44-V48 PolarHBondContact O-N 3.19Å; Q45-V48 PolarHBondContact O-N 3.22Å; V48-K52 WeakPolarHBondContact O-CA 3.41Å; V48-K52 PolarHBondContact O-N 3.24Å; V48-K52 VanDerWaalsContact O-N 3.13Å; V48-L53 HydrophobicContact CB-CB 4.44Å; V48-L53 HydrophobicContact CG1-CB 4.21Å; V48-L53 HydrophobicContact CG2-CB 4.32Å; V48-L53 HydrophobicContact CG2-CD1 4.1Å; V48-L53 PolarHBondContact O-N 3.03Å; V48-L54 HydrophobicContact CG1-CB 3.75Å; V48-L54 HydrophobicContact CG1-CD1 3.98Å; V48-L54 HydrophobicContact CG1-CG 3.9Å; V48-V59 HydrophobicContact CG1-CB 4.03Å; V48-V59 HydrophobicContact CG1-CG1 4.08Å; V48-V59 HydrophobicContact CG1-CG2 3.95Å
49G92.8Very high94.1Very high2 Ų267.2 Ų67.22%0.02135%0.351CS..Hα-helixtrans-61.1-58.517600000112.9Q45 M46 C47 L51 K52 M61Q45-G49 PolarHBondContact O-N 3.44Å; M46-G49 PolarHBondContact O-N 3.44Å; C47-G49 VanDerWaalsContact C-N 3.3Å; C47-G49 PolarHBondContact O-N 3.21Å; G49-L51 PolarHBondContact O-N 2.99Å; G49-K52 PolarHBondContact O-N 3.38Å; G49-K52 VanDerWaalsContact O-N 3.15Å; G49-M61 VanDerWaalsContact O-CE 3.28Å; G49-M61 WeakPolarHBondContact O-CE 3.17Å
50H93.8Very high93.9Very high105 Ų10565.3 Ų65.349%0.48635%0.345SS..Hα-helixtrans-67.6-38.5-174.6-81.5-73.9000113.6M46 C47 K52 Y67M46-H50 PolarHBondContact O-CD2 2.97Å; M46-H50 VanDerWaalsContact O-CD2 3.32Å; M46-H50 PolarHBondContact O-N 2.98Å; C47-H50 PolarHBondContact O-N 3.01Å; H50-K52 PolarHBondContact O-N 2.94Å; H50-Y67 AromaticContact NE2-CE1 3.59Å; H50-Y67 AromaticContact NE2-CZ 3.76Å; H50-Y67 PolarHBondContact NE2-OH 3.38Å
51L95.1Very high93.7Very high122 Ų12263.4 Ų63.464%0.63933%0.334SS*.THydrogen-bonded Turntrans-79.5-4177.1-60.5175.6000112.6C47 G49 L53C47-L51 HydrophobicContact CB-CD1 4.47Å; C47-L51 WeakPolarHBondContact O-CB 3.14Å; C47-L51 VanDerWaalsContact O-CG 3.29Å; C47-L51 WeakPolarHBondContact O-CG 3.38Å; C47-L51 PolarHBondContact O-N 3.5Å; G49-L51 PolarHBondContact O-N 2.99Å; L51-L53 HydrophobicContact CB-CD1 4.11Å; L51-L53 HydrophobicContact CB-CG 3.9Å; L51-L53 HydrophobicContact CD1-CD1 4.08Å; L51-L53 PolarHBondContact O-N 3.29Å
52K92.6Very high93.6Very high155 Ų15557.5 Ų57.567%0.67430%0.303SS*.THydrogen-bonded Turntrans53.636.5-177.5-49.2-176178.9173.80112.1V48 G49 H50 L54V48-K52 WeakPolarHBondContact O-CA 3.41Å; V48-K52 PolarHBondContact O-N 3.24Å; V48-K52 VanDerWaalsContact O-N 3.13Å; G49-K52 PolarHBondContact O-N 3.38Å; G49-K52 VanDerWaalsContact O-N 3.15Å; H50-K52 PolarHBondContact O-N 2.94Å; K52-L54 PolarHBondContact O-N 3.02Å
53L93.3Very high93.5Very high115 Ų11557.4 Ų57.460%0.60230%0.303SS*.SBendtrans-64.7-30.2179-74164.1000111.2V48 L51V48-L53 HydrophobicContact CB-CB 4.44Å; V48-L53 HydrophobicContact CG1-CB 4.21Å; V48-L53 HydrophobicContact CG2-CB 4.32Å; V48-L53 HydrophobicContact CG2-CD1 4.1Å; V48-L53 PolarHBondContact O-N 3.03Å; L51-L53 HydrophobicContact CB-CD1 4.11Å; L51-L53 HydrophobicContact CB-CG 3.9Å; L51-L53 HydrophobicContact CD1-CD1 4.08Å; L51-L53 PolarHBondContact O-N 3.29Å
54L91.9Very high93.5Very high58 Ų5860.1 Ų60.130%0.30431%0.314SS..SBendtrans-125.9155.4171.1-67.5177.6000110.9V48 K52 V59 F131V48-L54 HydrophobicContact CG1-CB 3.75Å; V48-L54 HydrophobicContact CG1-CD1 3.98Å; V48-L54 HydrophobicContact CG1-CG 3.9Å; K52-L54 PolarHBondContact O-N 3.02Å; L54-V59 HydrophobicContact CB-CG2 4.29Å; L54-V59 HydrophobicContact CD1-CG2 3.84Å; L54-F131 HydrophobicContact CD1-CE1 4.25Å
55P90.1Very high93.6Very high65 Ų6557.6 Ų57.642%0.42229%0.293SS..  trans-56.4147.7170.7-27.138000113.1D57 Q58 V59P55-D57 WeakPolarHBondContact CB-OD1 3.47Å; P55-D57 PolarHBondContact O-N 3.21Å; P55-Q58 PolarHBondContact O-N 3.24Å; P55-V59 PolarHBondContact O-N 3.49Å
56H87.8Confident93.7Very high90 Ų9056.7 Ų56.742%0.41729%0.289SS..THydrogen-bonded Turntrans-70.4-18.1-174.8-73.550.7000114Q58 V59 A60 M61H56-Q58 VanDerWaalsContact C-N 3.33Å; H56-V59 WeakPolarHBondContact CA-O 3.31Å; H56-V59 CarbonylContact O-C 3.53Å; H56-A60 PolarHBondContact O-N 3.09Å; H56-M61 WeakPolarHBondContact NE2-CE 3.43Å
57D86.4Confident93.8Very high110 Ų11059.6 Ų59.659%0.58830%0.3SS*.THydrogen-bonded Turntrans-73.5-24.5170.159-51.1000112.3P55 F129P55-D57 WeakPolarHBondContact CB-OD1 3.47Å; P55-D57 PolarHBondContact O-N 3.21Å; D57-F129 WeakPolarHBondContact O-CB 3.44Å
58Q89.7Confident93.8Very high82 Ų8259.5 Ų59.538%0.38330%0.299SS..THydrogen-bonded Turntrans-88.8-42.3172.9-64.6-172.42.800112.1P55 H56 I130 F131P55-Q58 PolarHBondContact O-N 3.24Å; H56-Q58 VanDerWaalsContact C-N 3.33Å; Q58-I130 CarbonylContact O-C 3.58Å; Q58-I130 WeakPolarHBondContact O-CA 3.42Å; Q58-F131 PolarHBondContact O-N 3.25Å
59V92.9Very high94Very high5 Ų558.1 Ų58.13%0.0329%0.29CS..BIsolated β-bridgetrans-132.7102.7178.3-178.10000109.6Q45 V48 L54 P55 H56 F131Q45-V59 HydrophobicContact CG-CG1 3.83Å; V48-V59 HydrophobicContact CG1-CB 4.03Å; V48-V59 HydrophobicContact CG1-CG1 4.08Å; V48-V59 HydrophobicContact CG1-CG2 3.95Å; L54-V59 HydrophobicContact CB-CG2 4.29Å; L54-V59 HydrophobicContact CD1-CG2 3.84Å; P55-V59 PolarHBondContact O-N 3.49Å; H56-V59 WeakPolarHBondContact CA-O 3.31Å; H56-V59 CarbonylContact O-C 3.53Å; V59-F131 HydrophobicContact CG2-CE1 4.35Å; V59-F131 HydrophobicContact CG2-CZ 4.11Å
60A92.8Very high94.2Very high5 Ų559.6 Ų59.64%0.04130%0.297CS..PPolyproline II helixtrans-63.6156.617600000112.5Q45 H56 R128 F129 A135Q45-A60 PolarHBondContact NE2-O 3.02Å; H56-A60 PolarHBondContact O-N 3.09Å; A60-R128 HydrophobicContact CB-CB 3.68Å; A60-R128 HydrophobicContact CB-CG 4.11Å; A60-F129 VanDerWaalsContact CB-O 3.3Å; A60-F129 WeakPolarHBondContact CB-O 3.19Å; A60-F129 PolarHBondContact N-O 3.12Å; A60-A135 HydrophobicContact CB-CB 4.4Å
61M94.6Very high94.4Very high54 Ų5458.5 Ų58.527%0.26629%0.294SS..PPolyproline II helixtrans-59.1140.4170.7-70.3-59.69000111.4G49 H56 R128G49-M61 VanDerWaalsContact O-CE 3.28Å; G49-M61 WeakPolarHBondContact O-CE 3.17Å; H56-M61 WeakPolarHBondContact NE2-CE 3.43Å; M61-R128 PolarHBondContact O-NH1 2.59Å
62P95.6Very high94.6Very high2 Ų252.7 Ų52.71%0.01326%0.264CS..PPolyproline II helixtrans-54.2146.2175.3-21.629.2000112.6M46 E66 Y67M46-P62 HydrophobicContact CB-CG 3.9Å; M46-P62 HydrophobicContact CE-CB 3.83Å; M46-P62 HydrophobicContact CE-CG 3.93Å; M46-P62 HydrophobicContact CG-CG 3.84Å; P62-E66 WeakPolarHBondContact CA-OE1 3.29Å; P62-E66 HydrophobicContact CB-CB 4.18Å; P62-Y67 HydrophobicContact CB-CE2 4.07Å
63Y96.5Very high94.8Very high6 Ų647 Ų472%0.02424%0.24CC..PPolyproline II helixtrans-68.9160.1166.2-68.9-83.4000111.3W65 E66 Y67 M113 A135 M139Y63-W65 VanDerWaalsContact C-N 3.25Å; Y63-W65 PolarHBondContact O-N 3.19Å; Y63-E66 WeakPolarHBondContact CD2-OE1 3.4Å; Y63-E66 PolarHBondContact N-OE1 3.15Å; Y63-E66 WeakPolarHBondContact O-CB 3.32Å; Y63-E66 PolarHBondContact O-N 3.13Å; Y63-Y67 WeakPolarHBondContact O-CD2 3.26Å; Y63-Y67 VanDerWaalsContact O-CE2 3.3Å; Y63-Y67 WeakPolarHBondContact O-CE2 3.48Å; Y63-M113 HydrophobicContact CD1-CG 3.86Å; Y63-M113 HydrophobicContact CD1-SD 4.48Å; Y63-M113 HydrophobicContact CD2-CG 4.38Å; Y63-M113 HydrophobicContact CD2-SD 3.94Å; Y63-M113 HydrophobicContact CE1-CG 3.94Å; Y63-M113 HydrophobicContact CE2-CG 4.46Å; Y63-M113 HydrophobicContact CE2-SD 3.99Å; Y63-M113 HydrophobicContact CG-CG 4.08Å; Y63-M113 HydrophobicContact CG-SD 4.19Å; Y63-A135 HydrophobicContact CE2-CB 4.34Å; Y63-M139 HydrophobicContact CD2-CB 4.5Å; Y63-M139 HydrophobicContact CD2-CG 4.1Å; Y63-M139 HydrophobicContact CE2-CB 4.35Å; Y63-M139 HydrophobicContact CE2-CG 4.01Å
64Q97.6Very high95Very high110 Ų11045.3 Ų45.351%0.51423%0.232SC..THydrogen-bonded Turntrans-64.8-31-175.7-63.7-60.2-54.600112.2E66 P68 Y108 E112Q64-E66 VanDerWaalsContact C-N 3.27Å; Q64-E66 PolarHBondContact O-N 3.36Å; Q64-P68 WeakPolarHBondContact O-CD 3.28Å; Q64-Y108 HydrophobicContact CB-CE1 4.05Å; Q64-E112 WeakPolarHBondContact CB-OE1 3.39Å; Q64-E112 WeakPolarHBondContact CG-OE1 3.23Å; Q64-E112 PolarHBondContact N-OE1 2.92Å; Q64-E112 PolarHBondContact N-OE2 2.94Å; Q64-E112 VanDerWaalsContact N-OE2 3.14Å
65W98Very high95.3Very high0 Ų042.6 Ų42.60%022%0.218CC..THydrogen-bonded Turntrans-65.7-26.1177.775.1-95.2000114.4L42 Y63 Y67 P68 Y69 P105 L106 Y108 G109 E112 M139 V142 V143L42-W65 HydrophobicContact CD1-CH2 4.22Å; L42-W65 HydrophobicContact CD1-CZ3 4.44Å; Y63-W65 VanDerWaalsContact C-N 3.25Å; Y63-W65 PolarHBondContact O-N 3.19Å; W65-Y67 VanDerWaalsContact C-N 3.31Å; W65-Y67 PolarHBondContact O-N 3.44Å; W65-P68 VanDerWaalsContact O-CD 3.32Å; W65-P68 WeakPolarHBondContact O-CD 3.37Å; W65-P68 WeakPolarHBondContact O-CG 3.43Å; W65-Y69 HydrophobicContact CE3-CG 4.28Å; W65-Y69 HydrophobicContact CZ3-CD1 4.07Å; W65-Y69 HydrophobicContact CZ3-CD2 4.33Å; W65-Y69 AromaticContact CZ3-CG 3.89Å; W65-Y69 HydrophobicContact CZ3-CG 3.89Å; W65-Y69 VanDerWaalsContact O-CB 3.31Å; W65-Y69 WeakPolarHBondContact O-CB 3.28Å; W65-Y69 PolarHBondContact O-N 3.32Å; W65-P105 WeakPolarHBondContact CB-O 3.45Å; W65-L106 HydrophobicContact CE3-CD2 4.21Å; W65-L106 HydrophobicContact CH2-CD2 4.31Å; W65-L106 HydrophobicContact CZ3-CD2 3.68Å; W65-Y108 HydrophobicContact CB-CD1 3.63Å; W65-Y108 HydrophobicContact CB-CE1 4.11Å; W65-G109 VanDerWaalsContact CD1-CA 3.4Å; W65-E112 PolarHBondContact N-OE2 2.67Å; W65-M139 HydrophobicContact CZ2-CB 4.5Å; W65-M139 HydrophobicContact CZ2-SD 4.18Å; W65-V142 HydrophobicContact CH2-CG1 4.41Å; W65-V143 HydrophobicContact CH2-CG2 3.81Å; W65-V143 HydrophobicContact CZ2-CG2 3.68Å; W65-V143 HydrophobicContact CZ3-CG2 4.34Å
66E97.9Very high95.6Very high3 Ų339.5 Ų39.51%0.01420%0.198CC..Hα-helixtrans-67.9-33.7-176.2-63.1178.9-123.700111.5Q45 M46 P62 Y63 Q64 Y69 L70Q45-E66 PolarHBondContact OE1-OE2 2.84Å; Q45-E66 VanDerWaalsContact OE1-OE2 3.04Å; M46-E66 HydrophobicContact CE-CB 4.01Å; P62-E66 WeakPolarHBondContact CA-OE1 3.29Å; P62-E66 HydrophobicContact CB-CB 4.18Å; Y63-E66 WeakPolarHBondContact CD2-OE1 3.4Å; Y63-E66 PolarHBondContact N-OE1 3.15Å; Y63-E66 WeakPolarHBondContact O-CB 3.32Å; Y63-E66 PolarHBondContact O-N 3.13Å; Q64-E66 VanDerWaalsContact C-N 3.27Å; Q64-E66 PolarHBondContact O-N 3.36Å; E66-Y69 WeakPolarHBondContact O-CB 3.28Å; E66-Y69 PolarHBondContact O-N 3.4Å; E66-L70 PolarHBondContact O-N 3Å; E66-L70 VanDerWaalsContact O-N 3.15Å
67Y97.7Very high96Very high78 Ų7839.4 Ų39.431%0.30620%0.2SC..Hα-helixtrans-62.8-57.5-179.8-59.8-88.3000113.5M46 H50 P62 Y63 W65 Y69 L70M46-Y67 HydrophobicContact CE-CD1 3.45Å; M46-Y67 VanDerWaalsContact CE-CD1 3.45Å; M46-Y67 HydrophobicContact CE-CD2 4.24Å; M46-Y67 HydrophobicContact CE-CE1 3.56Å; M46-Y67 HydrophobicContact CE-CE2 4.33Å; M46-Y67 HydrophobicContact CE-CG 3.82Å; M46-Y67 HydrophobicContact SD-CD1 3.75Å; M46-Y67 HydrophobicContact SD-CE1 3.76Å; H50-Y67 AromaticContact NE2-CE1 3.59Å; H50-Y67 AromaticContact NE2-CZ 3.76Å; H50-Y67 PolarHBondContact NE2-OH 3.38Å; P62-Y67 HydrophobicContact CB-CE2 4.07Å; Y63-Y67 WeakPolarHBondContact O-CD2 3.26Å; Y63-Y67 VanDerWaalsContact O-CE2 3.3Å; Y63-Y67 WeakPolarHBondContact O-CE2 3.48Å; W65-Y67 VanDerWaalsContact C-N 3.31Å; W65-Y67 PolarHBondContact O-N 3.44Å; Y67-Y69 PolarHBondContact O-N 3.44Å; Y67-L70 WeakPolarHBondContact O-CB 3.46Å; Y67-L70 PolarHBondContact O-N 3.28Å
68P97.9Very high96.6Very high53 Ų5336 Ų3634%0.34418%0.182SC..Hα-helixtrans-66-26.3174.927.2-33.9000111.9Q64 W65 L70 L71 P105Q64-P68 WeakPolarHBondContact O-CD 3.28Å; W65-P68 VanDerWaalsContact O-CD 3.32Å; W65-P68 WeakPolarHBondContact O-CD 3.37Å; W65-P68 WeakPolarHBondContact O-CG 3.43Å; P68-L70 PolarHBondContact O-N 2.94Å; P68-L71 WeakPolarHBondContact O-CB 3.31Å; P68-L71 PolarHBondContact O-N 3.48Å; P68-L71 VanDerWaalsContact O-N 3.11Å; P68-P105 HydrophobicContact CB-CG 4.25Å; P68-P105 HydrophobicContact CG-CB 4.25Å; P68-P105 HydrophobicContact CG-CG 4.41Å
69Y98.4Very high96.9Very high0 Ų032.2 Ų32.20%016%0.164CC..Hα-helixtrans-65-23.9174.9-171.4-102.5000113H35 L42 W65 E66 Y67 L71 S72 S102 P105 L106 A146 H150H35-Y69 AromaticContact CE1-CZ 3.9Å; H35-Y69 PolarHBondContact CE1-OH 3.23Å; H35-Y69 PolarHBondContact ND1-OH 3.01Å; L42-Y69 HydrophobicContact CD1-CD1 3.56Å; L42-Y69 HydrophobicContact CD1-CE1 3.62Å; W65-Y69 HydrophobicContact CE3-CG 4.28Å; W65-Y69 HydrophobicContact CZ3-CD1 4.07Å; W65-Y69 HydrophobicContact CZ3-CD2 4.33Å; W65-Y69 AromaticContact CZ3-CG 3.89Å; W65-Y69 HydrophobicContact CZ3-CG 3.89Å; W65-Y69 VanDerWaalsContact O-CB 3.31Å; W65-Y69 WeakPolarHBondContact O-CB 3.28Å; W65-Y69 PolarHBondContact O-N 3.32Å; E66-Y69 WeakPolarHBondContact O-CB 3.28Å; E66-Y69 PolarHBondContact O-N 3.4Å; Y67-Y69 PolarHBondContact O-N 3.44Å; Y69-L71 PolarHBondContact O-N 3.04Å; Y69-L71 VanDerWaalsContact O-N 3.13Å; Y69-S72 WeakPolarHBondContact O-CB 3.33Å; Y69-S72 PolarHBondContact O-N 3.04Å; Y69-S72 PolarHBondContact O-OG 3.27Å; Y69-S102 WeakPolarHBondContact CE2-O 3.42Å; Y69-P105 HydrophobicContact CD2-CB 4.15Å; Y69-L106 HydrophobicContact CD2-CD2 4.02Å; Y69-L106 HydrophobicContact CD2-CG 4.09Å; Y69-L106 HydrophobicContact CE2-CD1 3.99Å; Y69-L106 HydrophobicContact CE2-CD2 3.71Å; Y69-L106 HydrophobicContact CE2-CG 3.74Å; Y69-A146 WeakPolarHBondContact OH-CB 3.11Å; Y69-H150 AromaticContact CE2-NE2 3.94Å; Y69-H150 AromaticContact CZ-NE2 3.81Å; Y69-H150 PolarHBondContact OH-NE2 2.95Å
70L98Very high97.1Very high34 Ų3434.4 Ų34.418%0.17818%0.175CC..G310 helixtrans-61-22.3172.8-69.4-178000112.9W39 L43 M46 E66 Y67 P68 S72W39-L70 HydrophobicContact CZ2-CD2 4.43Å; W39-L70 PolarHBondContact NE1-O 3.29Å; L43-L70 HydrophobicContact CB-CD2 4.34Å; L43-L70 HydrophobicContact CD1-CD1 4.29Å; L43-L70 HydrophobicContact CD1-CD2 4.42Å; M46-L70 HydrophobicContact CE-CD1 4.1Å; M46-L70 HydrophobicContact SD-CD1 3.52Å; M46-L70 VanDerWaalsContact SD-CD1 3.52Å; E66-L70 PolarHBondContact O-N 3Å; E66-L70 VanDerWaalsContact O-N 3.15Å; Y67-L70 WeakPolarHBondContact O-CB 3.46Å; Y67-L70 PolarHBondContact O-N 3.28Å; P68-L70 PolarHBondContact O-N 2.94Å; L70-S72 PolarHBondContact O-N 3.43Å
71L97.9Very high97.3Very high81 Ų8139.2 Ų39.242%0.42420%0.2SC..G310 helixtrans-72.1-11.4174.1-60.3177.4000113.2P68 Y69 I73 L74 P75 F101P68-L71 WeakPolarHBondContact O-CB 3.31Å; P68-L71 PolarHBondContact O-N 3.48Å; P68-L71 VanDerWaalsContact O-N 3.11Å; Y69-L71 PolarHBondContact O-N 3.04Å; Y69-L71 VanDerWaalsContact O-N 3.13Å; L71-I73 PolarHBondContact O-N 3.48Å; L71-I73 VanDerWaalsContact O-N 3.09Å; L71-L74 HydrophobicContact CB-CD1 4.44Å; L71-L74 HydrophobicContact CD2-CD1 4.26Å; L71-L74 WeakPolarHBondContact O-CB 3.4Å; L71-L74 WeakPolarHBondContact O-CG 3.34Å; L71-L74 PolarHBondContact O-N 3.27Å; L71-P75 WeakPolarHBondContact O-CD 3.4Å; L71-F101 HydrophobicContact CB-CB 4Å; L71-F101 HydrophobicContact CB-CD1 3.96Å; L71-F101 HydrophobicContact CB-CG 3.97Å; L71-F101 HydrophobicContact CD1-CD1 3.96Å; L71-F101 HydrophobicContact CD1-CE1 3.99Å
72S98.1Very high97.4Very high0 Ų036.6 Ų36.60%019%0.187CC..G310 helixtrans-62.5-12.6177.164.70000114.5H35 Y69 L70 L74 P75 S76 F101 S102H35-S72 PolarHBondContact CE1-OG 3.48Å; H35-S72 PolarHBondContact NE2-O 3.06Å; H35-S72 PolarHBondContact NE2-OG 3.1Å; H35-S72 VanDerWaalsContact NE2-OG 3.12Å; Y69-S72 WeakPolarHBondContact O-CB 3.33Å; Y69-S72 PolarHBondContact O-N 3.04Å; Y69-S72 PolarHBondContact O-OG 3.27Å; L70-S72 PolarHBondContact O-N 3.43Å; S72-L74 VanDerWaalsContact C-N 3.29Å; S72-P75 WeakPolarHBondContact O-CD 3.35Å; S72-P75 VanDerWaalsContact O-CG 3.28Å; S72-P75 WeakPolarHBondContact O-CG 3.35Å; S72-S76 PolarHBondContact O-OG 3.39Å; S72-F101 WeakPolarHBondContact CB-O 3.38Å; S72-S102 VanDerWaalsContact CB-OG 3.28Å; S72-S102 WeakPolarHBondContact CB-OG 3.49Å
73I98Very high97.3Very high35 Ų3537 Ų3718%0.17919%0.188CC..Hα-helixtrans-68.3-30.8171.8-165.561.8000111.9V36 W39 L71 S76 L77V36-I73 HydrophobicContact CG2-CD1 3.81Å; W39-I73 HydrophobicContact CD2-CB 4.43Å; W39-I73 HydrophobicContact CZ2-CB 4.34Å; W39-I73 HydrophobicContact CZ2-CG2 4.16Å; L71-I73 PolarHBondContact O-N 3.48Å; L71-I73 VanDerWaalsContact O-N 3.09Å; I73-S76 WeakPolarHBondContact O-CB 3.36Å; I73-S76 PolarHBondContact O-N 2.98Å; I73-L77 HydrophobicContact CG1-CD1 4.34Å; I73-L77 HydrophobicContact CG1-CG 4.41Å; I73-L77 WeakPolarHBondContact O-CG 3.38Å; I73-L77 PolarHBondContact O-N 3.02Å
74L97.9Very high97.2Very high81 Ų8142 Ų4242%0.42422%0.221SC..Hα-helixtrans-60.7-53.2-178.7-59.6176.8000113.2L71 S72 S76 L77 L78L71-L74 HydrophobicContact CB-CD1 4.44Å; L71-L74 HydrophobicContact CD2-CD1 4.26Å; L71-L74 WeakPolarHBondContact O-CB 3.4Å; L71-L74 WeakPolarHBondContact O-CG 3.34Å; L71-L74 PolarHBondContact O-N 3.27Å; S72-L74 VanDerWaalsContact C-N 3.29Å; L74-S76 PolarHBondContact O-N 3.25Å; L74-L77 PolarHBondContact O-N 3.33Å; L74-L78 WeakPolarHBondContact O-CG 3.44Å; L74-L78 PolarHBondContact O-N 3.36Å
75P97.5Very high96.8Very high0 Ų047.5 Ų47.50%024%0.237CC..Hα-helixtrans-57.6-35.7175.813.1-25000112.8L71 S72 L78 G79 S94 S97 T98 S102L71-P75 WeakPolarHBondContact O-CD 3.4Å; S72-P75 WeakPolarHBondContact O-CD 3.35Å; S72-P75 VanDerWaalsContact O-CG 3.28Å; S72-P75 WeakPolarHBondContact O-CG 3.35Å; P75-L78 PolarHBondContact O-N 3.47Å; P75-G79 PolarHBondContact O-N 2.87Å; P75-S94 WeakPolarHBondContact CB-O 3.48Å; P75-S94 WeakPolarHBondContact O-CB 3.45Å; P75-S94 PolarHBondContact O-OG 3.38Å; P75-S97 WeakPolarHBondContact CB-OG 3.43Å; P75-T98 VanDerWaalsContact CB-OG1 3.25Å; P75-T98 WeakPolarHBondContact CB-OG1 3.13Å; P75-S102 WeakPolarHBondContact CG-OG 3.45Å
76S96.4Very high96.6Very high1 Ų151 Ų511%0.00726%0.256CS..Hα-helixtrans-66.2-42.7179-64.20000112.1H35 S72 I73 L74 G79 L80H35-S76 PolarHBondContact CD2-OG 3.32Å; S72-S76 PolarHBondContact O-OG 3.39Å; I73-S76 WeakPolarHBondContact O-CB 3.36Å; I73-S76 PolarHBondContact O-N 2.98Å; L74-S76 PolarHBondContact O-N 3.25Å; S76-G79 PolarHBondContact O-N 3.23Å; S76-L80 PolarHBondContact O-N 3.44Å
77L96.9Very high96.5Very high88 Ų8853.2 Ų53.246%0.46127%0.268SS..Hα-helixtrans-62.9-45.1174.4-67.7172.9000111.5I73 L74 G79 L80 L81I73-L77 HydrophobicContact CG1-CD1 4.34Å; I73-L77 HydrophobicContact CG1-CG 4.41Å; I73-L77 WeakPolarHBondContact O-CG 3.38Å; I73-L77 PolarHBondContact O-N 3.02Å; L74-L77 PolarHBondContact O-N 3.33Å; L77-G79 VanDerWaalsContact C-N 3.28Å; L77-G79 PolarHBondContact O-N 2.96Å; L77-L80 PolarHBondContact O-N 3.32Å; L77-L81 WeakPolarHBondContact O-CB 3.42Å; L77-L81 VanDerWaalsContact O-CG 3.26Å; L77-L81 WeakPolarHBondContact O-CG 3.5Å; L77-L81 PolarHBondContact O-N 2.87Å
78L97.3Very high96.4Very high39 Ų3952 Ų5220%0.20427%0.266CS..Hα-helixtrans-59.9-39.7175.3-68.6173.7000112L74 P75 L81 S82 L93L74-L78 WeakPolarHBondContact O-CG 3.44Å; L74-L78 PolarHBondContact O-N 3.36Å; P75-L78 PolarHBondContact O-N 3.47Å; L78-L81 PolarHBondContact O-N 3.06Å; L78-S82 PolarHBondContact O-N 3.42Å; L78-S82 VanDerWaalsContact O-N 3.07Å; L78-L93 HydrophobicContact CD1-CB 4.44Å; L78-L93 HydrophobicContact CD1-CD2 3.73Å; L78-L93 HydrophobicContact CD1-CG 3.75Å; L78-L93 HydrophobicContact CD2-CD2 4.19Å
79G96.6Very high96.3Very high1 Ų153.7 Ų53.71%0.0128%0.279CS..Hα-helixtrans-59.2-49.9174.700000111.7P75 S76 L77 L81 S82 F83 S94P75-G79 PolarHBondContact O-N 2.87Å; S76-G79 PolarHBondContact O-N 3.23Å; L77-G79 VanDerWaalsContact C-N 3.28Å; L77-G79 PolarHBondContact O-N 2.96Å; G79-L81 PolarHBondContact O-N 2.84Å; G79-S82 WeakPolarHBondContact O-CB 3.29Å; G79-S82 PolarHBondContact O-N 3.27Å; G79-S82 PolarHBondContact O-OG 3.44Å; G79-F83 WeakPolarHBondContact O-CD1 3.39Å; G79-F83 VanDerWaalsContact O-CE1 3.3Å; G79-F83 WeakPolarHBondContact O-CE1 3.47Å; G79-S94 WeakPolarHBondContact CA-OG 3.08Å; G79-S94 PolarHBondContact N-OG 2.93Å
80L96.8Very high96.3Very high52 Ų5258.6 Ų58.627%0.27230%0.299SS..Hα-helixtrans-61.7-41.8176.9-68.1176.1000112.6K29 I32 S76 L77 S82 F83 P84K29-L80 HydrophobicContact CG-CD2 3.95Å; I32-L80 HydrophobicContact CD1-CD2 3.86Å; I32-L80 HydrophobicContact CD1-CG 3.89Å; I32-L80 HydrophobicContact CG2-CD1 3.99Å; I32-L80 HydrophobicContact CG2-CD2 4.34Å; I32-L80 HydrophobicContact CG2-CG 4.18Å; S76-L80 PolarHBondContact O-N 3.44Å; L77-L80 PolarHBondContact O-N 3.32Å; L80-S82 PolarHBondContact O-N 2.72Å; L80-F83 HydrophobicContact CD2-CD2 4.22Å; L80-F83 HydrophobicContact CD2-CE2 3.92Å; L80-F83 PolarHBondContact O-N 3.29Å; L80-P84 WeakPolarHBondContact O-CD 3.45Å
81L97.1Very high96.2Very high105 Ų10557 Ų5755%0.5529%0.29SS..Hα-helixtrans-66-22.2178.9-70.2172.7000112.9L77 L78 G79 F83 P84 Y90L77-L81 WeakPolarHBondContact O-CB 3.42Å; L77-L81 VanDerWaalsContact O-CG 3.26Å; L77-L81 WeakPolarHBondContact O-CG 3.5Å; L77-L81 PolarHBondContact O-N 2.87Å; L78-L81 PolarHBondContact O-N 3.06Å; G79-L81 PolarHBondContact O-N 2.84Å; L81-F83 VanDerWaalsContact C-N 3.32Å; L81-P84 WeakPolarHBondContact O-CD 3.4Å; L81-Y90 HydrophobicContact CB-CD2 4.27Å
82S96.4Very high96.2Very high0 Ų055.5 Ų55.50%028%0.284CS..Hα-helixtrans-70.9-25175.379.40000113.3L78 G79 L80 N86 N87L78-S82 PolarHBondContact O-N 3.42Å; L78-S82 VanDerWaalsContact O-N 3.07Å; G79-S82 WeakPolarHBondContact O-CB 3.29Å; G79-S82 PolarHBondContact O-N 3.27Å; G79-S82 PolarHBondContact O-OG 3.44Å; L80-S82 PolarHBondContact O-N 2.72Å; S82-N86 CarbonylContact O-C 3.54Å; S82-N86 WeakPolarHBondContact O-CA 3.35Å; S82-N86 PolarHBondContact O-N 3.36Å; S82-N86 VanDerWaalsContact O-N 3.13Å; S82-N87 WeakPolarHBondContact CB-O 3.47Å; S82-N87 PolarHBondContact O-N 3.19Å
83F94.8Very high96.2Very high10 Ų1059.6 Ų59.64%0.04431%0.306CS..THydrogen-bonded Turntrans-74-38.7-167.4-60.7-21000116.8K25 I28 K29 G79 L80 L81 R85 L160 W164K25-F83 HydrophobicContact CD-CB 4.21Å; K25-F83 HydrophobicContact CD-CD1 4.35Å; K25-F83 HydrophobicContact CD-CG 4.29Å; K25-F83 HydrophobicContact CG-CD1 3.82Å; K25-F83 HydrophobicContact CG-CE1 4.13Å; K25-F83 HydrophobicContact CG-CG 4.05Å; K25-F83 PolarHBondContact NZ-O 3.2Å; I28-F83 HydrophobicContact CB-CZ 3.9Å; I28-F83 HydrophobicContact CD1-CE1 4.45Å; I28-F83 HydrophobicContact CD1-CZ 4.36Å; I28-F83 HydrophobicContact CG2-CE2 4.45Å; I28-F83 HydrophobicContact CG2-CZ 3.65Å; K29-F83 HydrophobicContact CD-CD2 4.48Å; K29-F83 HydrophobicContact CD-CE2 4.5Å; K29-F83 HydrophobicContact CG-CD2 4.09Å; K29-F83 HydrophobicContact CG-CE2 3.66Å; G79-F83 WeakPolarHBondContact O-CD1 3.39Å; G79-F83 VanDerWaalsContact O-CE1 3.3Å; G79-F83 WeakPolarHBondContact O-CE1 3.47Å; L80-F83 HydrophobicContact CD2-CD2 4.22Å; L80-F83 HydrophobicContact CD2-CE2 3.92Å; L80-F83 PolarHBondContact O-N 3.29Å; L81-F83 VanDerWaalsContact C-N 3.32Å; F83-R85 VanDerWaalsContact C-N 3.29Å; F83-R85 PolarHBondContact O-N 3.07Å; F83-L160 HydrophobicContact CD1-CD2 4.26Å; F83-L160 HydrophobicContact CE1-CD2 3.79Å; F83-W164 HydrophobicContact CD1-CH2 4.31Å
84P93.3Very high96.2Very high110 Ų11058 Ų5871%0.71430%0.297SS*.THydrogen-bonded Turntrans-64.6-31-176-25.535.9000114L80 L81L80-P84 WeakPolarHBondContact O-CD 3.45Å; L81-P84 WeakPolarHBondContact O-CD 3.4Å
85R90.9Very high96.2Very high226 Ų22655.8 Ų55.885%0.85329%0.285SS*.THydrogen-bonded Turntrans-121.513.1-176.2-64.3-172.2179.9176.20.4114F83 N87F83-R85 VanDerWaalsContact C-N 3.29Å; F83-R85 PolarHBondContact O-N 3.07Å; R85-N87 PolarHBondContact O-N 3.45Å
86N92.6Very high96.3Very high73 Ų7361.2 Ų61.239%0.3931%0.314SS..THydrogen-bonded Turntrans48.744.9-173.2-58.3-15.2000112.2K25 S82 I88 W164K25-N86 WeakPolarHBondContact CE-OD1 3.39Å; K25-N86 PolarHBondContact NZ-OD1 2.87Å; S82-N86 CarbonylContact O-C 3.54Å; S82-N86 WeakPolarHBondContact O-CA 3.35Å; S82-N86 PolarHBondContact O-N 3.36Å; S82-N86 VanDerWaalsContact O-N 3.13Å; N86-I88 PolarHBondContact O-N 2.64Å; N86-W164 HydrophobicContact CB-CD2 3.92Å; N86-W164 HydrophobicContact CB-CE3 4.29Å; N86-W164 HydrophobicContact CB-CG 4.37Å; N86-W164 HydrophobicContact CB-CH2 4.41Å; N86-W164 HydrophobicContact CB-CZ2 4.03Å; N86-W164 HydrophobicContact CB-CZ3 4.5Å
87N95.5Very high96.3Very high51 Ų5161.7 Ų61.727%0.27332%0.317SS..  trans-75.999.1-173.2-173.2-26.1000110.3S82 R85 S89 Y90 L91S82-N87 WeakPolarHBondContact CB-O 3.47Å; S82-N87 PolarHBondContact O-N 3.19Å; R85-N87 PolarHBondContact O-N 3.45Å; N87-S89 VanDerWaalsContact C-N 3.29Å; N87-S89 PolarHBondContact O-N 3.42Å; N87-S89 WeakPolarHBondContact OD1-CB 3.15Å; N87-S89 PolarHBondContact OD1-N 3.46Å; N87-Y90 HydrophobicContact CB-CD2 3.95Å; N87-Y90 HydrophobicContact CB-CG 4.36Å; N87-Y90 VanDerWaalsContact ND2-CD2 3.31Å; N87-Y90 WeakPolarHBondContact ND2-CD2 3.33Å; N87-Y90 WeakPolarHBondContact ND2-CE2 3.22Å; N87-Y90 PolarHBondContact O-N 3.37Å; N87-Y90 PolarHBondContact OD1-N 2.66Å; N87-L91 PolarHBondContact O-N 2.89Å; N87-L91 VanDerWaalsContact O-N 3.11Å
88I95.6Very high96.4Very high52 Ų5257.6 Ų57.627%0.26730%0.296SS..Hα-helixtrans-53.7-44.1178.8-71170.6000111.7N86 Y90 L91 V92 L161 W164 F165N86-I88 PolarHBondContact O-N 2.64Å; I88-Y90 VanDerWaalsContact C-N 3.34Å; I88-Y90 PolarHBondContact O-N 2.96Å; I88-L91 PolarHBondContact O-N 3.09Å; I88-V92 HydrophobicContact CG2-CG2 4.28Å; I88-V92 WeakPolarHBondContact O-CG2 3.37Å; I88-V92 PolarHBondContact O-N 3.27Å; I88-L161 HydrophobicContact CG2-CD1 3.88Å; I88-W164 HydrophobicContact CD1-CB 4.31Å; I88-W164 HydrophobicContact CG1-CB 4.14Å; I88-W164 HydrophobicContact CG1-CE3 3.93Å; I88-F165 HydrophobicContact CD1-CD1 4.21Å; I88-F165 HydrophobicContact CD1-CE1 4.07Å; I88-F165 HydrophobicContact CD1-CZ 4.26Å; I88-F165 HydrophobicContact CG2-CE1 4.24Å; I88-F165 HydrophobicContact CG2-CE2 3.78Å; I88-F165 HydrophobicContact CG2-CZ 3.48Å; I88-F165 VanDerWaalsContact CG2-CZ 3.48Å
89S96.4Very high96.4Very high88 Ų8857.2 Ų57.262%0.61530%0.301SS*.Hα-helixtrans-61.7-41.9-178.2-55.70000112N87 L93N87-S89 VanDerWaalsContact C-N 3.29Å; N87-S89 PolarHBondContact O-N 3.42Å; N87-S89 WeakPolarHBondContact OD1-CB 3.15Å; N87-S89 PolarHBondContact OD1-N 3.46Å; S89-L93 VanDerWaalsContact O-CB 3.3Å; S89-L93 WeakPolarHBondContact O-CB 3.47Å; S89-L93 PolarHBondContact O-N 3.13Å
90Y97.6Very high96.4Very high103 Ų10362.2 Ų62.240%0.40433%0.327SS..Hα-helixtrans-68.9-36.2175.6-70.8-22.6000112.9L81 N87 I88 S94L81-Y90 HydrophobicContact CB-CD2 4.27Å; N87-Y90 HydrophobicContact CB-CD2 3.95Å; N87-Y90 HydrophobicContact CB-CG 4.36Å; N87-Y90 VanDerWaalsContact ND2-CD2 3.31Å; N87-Y90 WeakPolarHBondContact ND2-CD2 3.33Å; N87-Y90 WeakPolarHBondContact ND2-CE2 3.22Å; N87-Y90 PolarHBondContact O-N 3.37Å; N87-Y90 PolarHBondContact OD1-N 2.66Å; I88-Y90 VanDerWaalsContact C-N 3.34Å; I88-Y90 PolarHBondContact O-N 2.96Å; Y90-S94 VanDerWaalsContact O-CB 3.23Å; Y90-S94 WeakPolarHBondContact O-CB 3.49Å; Y90-S94 PolarHBondContact O-N 2.94Å
91L97.5Very high96.5Very high0 Ų062.7 Ų62.70%033%0.327CS..Hα-helixtrans-66.7-43.7176.2-175.962000111.7N87 I88 S94 M95 L160 L161 W164N87-L91 PolarHBondContact O-N 2.89Å; N87-L91 VanDerWaalsContact O-N 3.11Å; I88-L91 PolarHBondContact O-N 3.09Å; L91-S94 WeakPolarHBondContact O-CB 3.45Å; L91-S94 PolarHBondContact O-N 3.26Å; L91-M95 HydrophobicContact CG-SD 4.47Å; L91-M95 WeakPolarHBondContact O-CG 3.42Å; L91-M95 PolarHBondContact O-N 2.96Å; L91-L160 HydrophobicContact CD1-CD2 4.49Å; L91-L160 HydrophobicContact CD2-CB 4.24Å; L91-L160 HydrophobicContact CD2-CD2 4.1Å; L91-L160 HydrophobicContact CD2-CG 4Å; L91-L161 HydrophobicContact CD2-CB 3.86Å; L91-L161 HydrophobicContact CD2-CD1 4.05Å; L91-L161 HydrophobicContact CG-CD1 4.47Å; L91-W164 HydrophobicContact CB-CE3 4.48Å; L91-W164 HydrophobicContact CB-CH2 4.46Å; L91-W164 HydrophobicContact CB-CZ3 3.74Å; L91-W164 HydrophobicContact CD2-CD2 4.45Å; L91-W164 HydrophobicContact CD2-CE3 3.7Å; L91-W164 HydrophobicContact CD2-CH2 3.96Å; L91-W164 HydrophobicContact CD2-CZ3 3.44Å; L91-W164 VanDerWaalsContact CD2-CZ3 3.44Å; L91-W164 HydrophobicContact CG-CZ3 4.18Å
92V97.8Very high96.5Very high50 Ų5057.7 Ų57.730%0.30330%0.301SS..Hα-helixtrans-63.8-45.1175.6172.80000111I88 S94 M95 I96 L161I88-V92 HydrophobicContact CG2-CG2 4.28Å; I88-V92 WeakPolarHBondContact O-CG2 3.37Å; I88-V92 PolarHBondContact O-N 3.27Å; V92-S94 VanDerWaalsContact C-N 3.31Å; V92-S94 PolarHBondContact O-N 3.4Å; V92-M95 PolarHBondContact O-N 3.37Å; V92-I96 HydrophobicContact CG1-CD1 3.86Å; V92-I96 HydrophobicContact CG1-CG1 4.48Å; V92-I96 WeakPolarHBondContact O-CG1 3.33Å; V92-I96 PolarHBondContact O-N 3.33Å; V92-L161 HydrophobicContact CG2-CD1 3.72Å; V92-L161 HydrophobicContact CG2-CD2 3.86Å; V92-L161 HydrophobicContact CG2-CG 4.47Å
93L98Very high96.6Very high87 Ų8759.8 Ų59.846%0.45531%0.314SS..Hα-helixtrans-61.7-41.7176.8-174.365000111.3L78 S89 S97L78-L93 HydrophobicContact CD1-CB 4.44Å; L78-L93 HydrophobicContact CD1-CD2 3.73Å; L78-L93 HydrophobicContact CD1-CG 3.75Å; L78-L93 HydrophobicContact CD2-CD2 4.19Å; S89-L93 VanDerWaalsContact O-CB 3.3Å; S89-L93 WeakPolarHBondContact O-CB 3.47Å; S89-L93 PolarHBondContact O-N 3.13Å; L93-S97 VanDerWaalsContact O-CB 3.29Å; L93-S97 WeakPolarHBondContact O-CB 3.47Å; L93-S97 PolarHBondContact O-N 3.37Å; L93-S97 PolarHBondContact O-OG 3.06Å
94S98.1Very high96.7Very high0 Ų061.5 Ų61.50%033%0.329CS..Hα-helixtrans-56.6-49.6172.8176.30000110.9P75 G79 Y90 L91 V92 I96 S97 T98P75-S94 WeakPolarHBondContact CB-O 3.48Å; P75-S94 WeakPolarHBondContact O-CB 3.45Å; P75-S94 PolarHBondContact O-OG 3.38Å; G79-S94 WeakPolarHBondContact CA-OG 3.08Å; G79-S94 PolarHBondContact N-OG 2.93Å; Y90-S94 VanDerWaalsContact O-CB 3.23Å; Y90-S94 WeakPolarHBondContact O-CB 3.49Å; Y90-S94 PolarHBondContact O-N 2.94Å; L91-S94 WeakPolarHBondContact O-CB 3.45Å; L91-S94 PolarHBondContact O-N 3.26Å; V92-S94 VanDerWaalsContact C-N 3.31Å; V92-S94 PolarHBondContact O-N 3.4Å; S94-I96 PolarHBondContact O-N 2.8Å; S94-S97 WeakPolarHBondContact CA-OG 3.49Å; S94-S97 PolarHBondContact O-N 2.65Å; S94-S97 PolarHBondContact O-OG 2.65Å; S94-S97 VanDerWaalsContact O-OG 3.06Å; S94-T98 WeakPolarHBondContact O-CB 3.5Å; S94-T98 PolarHBondContact O-N 3.23Å; S94-T98 PolarHBondContact O-OG1 2.95Å
95M98.2Very high97Very high35 Ų3556.7 Ų56.717%0.17230%0.298CS..Hα-helixtrans-61.7-46.3180-70.7171.269.600113.5L91 V92 T98 G99 L154 K158 L161L91-M95 HydrophobicContact CG-SD 4.47Å; L91-M95 WeakPolarHBondContact O-CG 3.42Å; L91-M95 PolarHBondContact O-N 2.96Å; V92-M95 PolarHBondContact O-N 3.37Å; M95-T98 PolarHBondContact O-N 3.47Å; M95-G99 PolarHBondContact O-N 3.44Å; M95-L154 HydrophobicContact CB-CD2 4.13Å; M95-L154 HydrophobicContact CG-CD2 4.31Å; M95-K158 HydrophobicContact CE-CB 3.82Å; M95-K158 HydrophobicContact CE-CD 3.92Å; M95-K158 HydrophobicContact CE-CG 4.45Å; M95-L161 HydrophobicContact SD-CD2 4.01Å
96I98Very high97.3Very high115 Ų11546.2 Ų46.259%0.5926%0.259SS*.Hα-helixtrans-63.6-45.8178.5-65169.2000110V92 S94 T98 G99 L100V92-I96 HydrophobicContact CG1-CD1 3.86Å; V92-I96 HydrophobicContact CG1-CG1 4.48Å; V92-I96 WeakPolarHBondContact O-CG1 3.33Å; V92-I96 PolarHBondContact O-N 3.33Å; S94-I96 PolarHBondContact O-N 2.8Å; I96-T98 VanDerWaalsContact C-N 3.34Å; I96-T98 PolarHBondContact O-N 3.34Å; I96-G99 PolarHBondContact O-N 3.47Å; I96-L100 PolarHBondContact O-N 3.35Å; I96-L100 VanDerWaalsContact O-N 3.17Å
97S97.8Very high97.6Very high11 Ų1147.4 Ų47.48%0.07726%0.264CS..Hα-helixtrans-69.4-27.5178.757.60000113.2P75 L93 S94 L100 F101P75-S97 WeakPolarHBondContact CB-OG 3.43Å; L93-S97 VanDerWaalsContact O-CB 3.29Å; L93-S97 WeakPolarHBondContact O-CB 3.47Å; L93-S97 PolarHBondContact O-N 3.37Å; L93-S97 PolarHBondContact O-OG 3.06Å; S94-S97 WeakPolarHBondContact CA-OG 3.49Å; S94-S97 PolarHBondContact O-N 2.65Å; S94-S97 PolarHBondContact O-OG 2.65Å; S94-S97 VanDerWaalsContact O-OG 3.06Å; S97-L100 PolarHBondContact O-N 3.28Å; S97-F101 WeakPolarHBondContact O-CB 3.46Å; S97-F101 PolarHBondContact O-N 3.05Å
98T98.3Very high97.7Very high2 Ų250.6 Ų50.61%0.01227%0.273CS..Hα-helixtrans-62.6-44.4169.5-64.60000110.3P75 S94 M95 I96 L100 S102 V103 H150 L154P75-T98 VanDerWaalsContact CB-OG1 3.25Å; P75-T98 WeakPolarHBondContact CB-OG1 3.13Å; S94-T98 WeakPolarHBondContact O-CB 3.5Å; S94-T98 PolarHBondContact O-N 3.23Å; S94-T98 PolarHBondContact O-OG1 2.95Å; M95-T98 PolarHBondContact O-N 3.47Å; I96-T98 VanDerWaalsContact C-N 3.34Å; I96-T98 PolarHBondContact O-N 3.34Å; T98-L100 VanDerWaalsContact C-N 3.34Å; T98-L100 PolarHBondContact O-N 2.78Å; T98-S102 CarbonylContact O-C 3.58Å; T98-S102 VanDerWaalsContact O-CA 3.32Å; T98-S102 WeakPolarHBondContact O-CA 3.4Å; T98-S102 WeakPolarHBondContact O-CB 3.23Å; T98-S102 PolarHBondContact O-N 2.94Å; T98-S102 PolarHBondContact O-OG 2.82Å; T98-V103 PolarHBondContact O-N 3.37Å; T98-H150 HydrophobicContact CG2-CB 4.47Å; T98-L154 HydrophobicContact CG2-CD1 4.08Å; T98-L154 HydrophobicContact CG2-CD2 3.91Å; T98-L154 HydrophobicContact CG2-CG 3.8Å
99G96.8Very high97.8Very high31 Ų3148.1 Ų48.132%0.3226%0.261SS..Iπ-helixtrans-56.6-48.2174.700000112.2M95 I96 A104M95-G99 PolarHBondContact O-N 3.44Å; I96-G99 PolarHBondContact O-N 3.47Å; G99-A104 PolarHBondContact O-N 2.99Å
100L97.6Very high97.8Very high106 Ų10646.4 Ų46.456%0.55525%0.247SC*.Iπ-helixtrans-75.1-47.6-175.4-177.261.2000114.2I96 S97 T98 A104 P105I96-L100 PolarHBondContact O-N 3.35Å; I96-L100 VanDerWaalsContact O-N 3.17Å; S97-L100 PolarHBondContact O-N 3.28Å; T98-L100 VanDerWaalsContact C-N 3.34Å; T98-L100 PolarHBondContact O-N 2.78Å; L100-A104 WeakPolarHBondContact O-CB 3.25Å; L100-P105 WeakPolarHBondContact O-CD 3.46Å
101F97.8Very high97.8Very high61 Ų6148 Ų4827%0.26826%0.26SS..Iπ-helixtrans-101.5-11-171-60-50.8000114.1L71 S72 S97L71-F101 HydrophobicContact CB-CB 4Å; L71-F101 HydrophobicContact CB-CD1 3.96Å; L71-F101 HydrophobicContact CB-CG 3.97Å; L71-F101 HydrophobicContact CD1-CD1 3.96Å; L71-F101 HydrophobicContact CD1-CE1 3.99Å; S72-F101 WeakPolarHBondContact CB-O 3.38Å; S97-F101 WeakPolarHBondContact O-CB 3.46Å; S97-F101 PolarHBondContact O-N 3.05Å
102S97.7Very high97.8Very high0 Ų049.9 Ų49.90%027%0.268CS..Iπ-helixtrans-114-52.3179.4-41.60000111.4Y69 S72 P75 T98 L106 H150Y69-S102 WeakPolarHBondContact CE2-O 3.42Å; S72-S102 VanDerWaalsContact CB-OG 3.28Å; S72-S102 WeakPolarHBondContact CB-OG 3.49Å; P75-S102 WeakPolarHBondContact CG-OG 3.45Å; T98-S102 CarbonylContact O-C 3.58Å; T98-S102 VanDerWaalsContact O-CA 3.32Å; T98-S102 WeakPolarHBondContact O-CA 3.4Å; T98-S102 WeakPolarHBondContact O-CB 3.23Å; T98-S102 PolarHBondContact O-N 2.94Å; T98-S102 PolarHBondContact O-OG 2.82Å; S102-L106 WeakPolarHBondContact O-CD1 3.31Å; S102-L106 VanDerWaalsContact O-CG 3.23Å; S102-L106 WeakPolarHBondContact O-CG 3.32Å; S102-H150 VanDerWaalsContact CB-CE1 3.49Å; S102-H150 WeakPolarHBondContact CB-CE1 3.47Å
103V98.2Very high97.8Very high45 Ų4547.5 Ų47.527%0.27325%0.254SS..Iπ-helixtrans-78.6-46.6-176.3-179.60000112.2T98 L106 I107 H150 L154T98-V103 PolarHBondContact O-N 3.37Å; V103-L106 WeakPolarHBondContact O-CB 3.38Å; V103-L106 PolarHBondContact O-N 2.71Å; V103-L106 VanDerWaalsContact O-N 3.13Å; V103-I107 HydrophobicContact CG1-CD1 3.94Å; V103-I107 HydrophobicContact CG1-CG1 4.39Å; V103-I107 PolarHBondContact O-N 3.06Å; V103-I107 VanDerWaalsContact O-N 3.09Å; V103-H150 HydrophobicContact CG2-CB 4.18Å; V103-L154 HydrophobicContact CG2-CD1 4.09Å
104A98Very high97.7Very high45 Ų4548.7 Ų48.737%0.37226%0.255SS..Hα-helixtrans-61.1-42.3-176.500000114G99 L100 L106 I107 Y108G99-A104 PolarHBondContact O-N 2.99Å; L100-A104 WeakPolarHBondContact O-CB 3.25Å; A104-L106 VanDerWaalsContact C-N 3.29Å; A104-L106 PolarHBondContact O-N 2.78Å; A104-I107 PolarHBondContact O-N 3.44Å; A104-Y108 PolarHBondContact O-N 3.17Å
105P98.3Very high97.6Very high9 Ų951.8 Ų51.86%0.05828%0.275CS..Hα-helixtrans-61.5-35.5174.1-26.237.1000113W65 P68 Y69 L100 Y108 G109W65-P105 WeakPolarHBondContact CB-O 3.45Å; P68-P105 HydrophobicContact CB-CG 4.25Å; P68-P105 HydrophobicContact CG-CB 4.25Å; P68-P105 HydrophobicContact CG-CG 4.41Å; Y69-P105 HydrophobicContact CD2-CB 4.15Å; L100-P105 WeakPolarHBondContact O-CD 3.46Å; P105-Y108 PolarHBondContact O-N 2.97Å; P105-G109 PolarHBondContact O-N 2.83Å
106L98.2Very high97.4Very high6 Ų653.6 Ų53.63%0.03128%0.284CS..Hα-helixtrans-65.7-42.7176.6-64.8174.8000111.6W65 Y69 S102 V103 A104 G109 T110 V143 A146 A147W65-L106 HydrophobicContact CE3-CD2 4.21Å; W65-L106 HydrophobicContact CH2-CD2 4.31Å; W65-L106 HydrophobicContact CZ3-CD2 3.68Å; Y69-L106 HydrophobicContact CD2-CD2 4.02Å; Y69-L106 HydrophobicContact CD2-CG 4.09Å; Y69-L106 HydrophobicContact CE2-CD1 3.99Å; Y69-L106 HydrophobicContact CE2-CD2 3.71Å; Y69-L106 HydrophobicContact CE2-CG 3.74Å; S102-L106 WeakPolarHBondContact O-CD1 3.31Å; S102-L106 VanDerWaalsContact O-CG 3.23Å; S102-L106 WeakPolarHBondContact O-CG 3.32Å; V103-L106 WeakPolarHBondContact O-CB 3.38Å; V103-L106 PolarHBondContact O-N 2.71Å; V103-L106 VanDerWaalsContact O-N 3.13Å; A104-L106 VanDerWaalsContact C-N 3.29Å; A104-L106 PolarHBondContact O-N 2.78Å; L106-G109 PolarHBondContact O-N 3.36Å; L106-T110 WeakPolarHBondContact O-CG2 3.43Å; L106-T110 PolarHBondContact O-N 2.97Å; L106-V143 HydrophobicContact CB-CG1 4.27Å; L106-V143 HydrophobicContact CD2-CB 4.36Å; L106-V143 HydrophobicContact CD2-CG1 4.24Å; L106-V143 HydrophobicContact CD2-CG2 4.05Å; L106-A146 HydrophobicContact CD1-CB 3.82Å; L106-A146 HydrophobicContact CD2-CB 3.94Å; L106-A147 HydrophobicContact CD1-CB 4.29Å
107I98Very high97.3Very high99 Ų9948.5 Ų48.551%0.50826%0.259SS..Hα-helixtrans-60.4-49.8174.9-64.4171.2000109.7V103 A104 G109 T110 M111V103-I107 HydrophobicContact CG1-CD1 3.94Å; V103-I107 HydrophobicContact CG1-CG1 4.39Å; V103-I107 PolarHBondContact O-N 3.06Å; V103-I107 VanDerWaalsContact O-N 3.09Å; A104-I107 PolarHBondContact O-N 3.44Å; I107-G109 VanDerWaalsContact C-N 3.31Å; I107-G109 PolarHBondContact O-N 3.3Å; I107-T110 PolarHBondContact O-N 3.44Å; I107-T110 PolarHBondContact O-OG1 3.01Å; I107-M111 PolarHBondContact O-N 2.97Å
108Y98.1Very high97.2Very high118 Ų11851.2 Ų51.246%0.46327%0.271SS..Hα-helixtrans-56.9-44.7175.6172.8-107.3000112.1Q64 W65 A104 P105 T110 M111 E112Q64-Y108 HydrophobicContact CB-CE1 4.05Å; W65-Y108 HydrophobicContact CB-CD1 3.63Å; W65-Y108 HydrophobicContact CB-CE1 4.11Å; A104-Y108 PolarHBondContact O-N 3.17Å; P105-Y108 PolarHBondContact O-N 2.97Å; Y108-T110 VanDerWaalsContact C-N 3.34Å; Y108-T110 PolarHBondContact O-N 3.34Å; Y108-M111 PolarHBondContact O-N 3.48Å; Y108-E112 HydrophobicContact CE1-CB 4.36Å; Y108-E112 WeakPolarHBondContact O-CB 3.29Å; Y108-E112 PolarHBondContact O-N 2.94Å
109G97.9Very high97Very high0 Ų054.4 Ų54.40%029%0.286CS..Hα-helixtrans-60.6-38.8178.100000113.6W65 P105 L106 I107 M111 E112 M113W65-G109 VanDerWaalsContact CD1-CA 3.4Å; P105-G109 PolarHBondContact O-N 2.83Å; L106-G109 PolarHBondContact O-N 3.36Å; I107-G109 VanDerWaalsContact C-N 3.31Å; I107-G109 PolarHBondContact O-N 3.3Å; G109-M111 VanDerWaalsContact C-N 3.26Å; G109-M111 PolarHBondContact O-N 3.03Å; G109-E112 PolarHBondContact O-N 3.38Å; G109-M113 WeakPolarHBondContact O-CB 3.47Å; G109-M113 WeakPolarHBondContact O-CE 3.46Å; G109-M113 WeakPolarHBondContact O-CG 3.36Å; G109-M113 PolarHBondContact O-N 3.12Å
110T97.1Very high97Very high52 Ų5254.5 Ų54.532%0.31928%0.279SS..Hα-helixtrans-61.7-35173.961.20000112.9L106 I107 Y108 Y140 V143L106-T110 WeakPolarHBondContact O-CG2 3.43Å; L106-T110 PolarHBondContact O-N 2.97Å; I107-T110 PolarHBondContact O-N 3.44Å; I107-T110 PolarHBondContact O-OG1 3.01Å; Y108-T110 VanDerWaalsContact C-N 3.34Å; Y108-T110 PolarHBondContact O-N 3.34Å; T110-Y140 HydrophobicContact CG2-CE1 4.16Å; T110-Y140 PolarHBondContact O-OH 2.96Å; T110-V143 HydrophobicContact CG2-CG1 3.57Å
111M97.3Very high96.7Very high137 Ų13757.6 Ų57.668%0.67528%0.284SS*.Hα-helixtrans-78.3-42.9177.4-61-178.175.700111.4I107 Y108 G109 M113 F114I107-M111 PolarHBondContact O-N 2.97Å; Y108-M111 PolarHBondContact O-N 3.48Å; G109-M111 VanDerWaalsContact C-N 3.26Å; G109-M111 PolarHBondContact O-N 3.03Å; M111-M113 VanDerWaalsContact C-N 3.35Å; M111-M113 PolarHBondContact O-N 3.48Å; M111-F114 WeakPolarHBondContact O-CB 3.3Å; M111-F114 PolarHBondContact O-N 3.48Å
112E97.1Very high96.6Very high39 Ų3963.6 Ų63.618%0.18231%0.305CS..Hα-helixtrans-58.5-45.7178.8-173.4-163.4170.100111.4Q64 W65 Y108 G109 F114 P115Q64-E112 WeakPolarHBondContact CB-OE1 3.39Å; Q64-E112 WeakPolarHBondContact CG-OE1 3.23Å; Q64-E112 PolarHBondContact N-OE1 2.92Å; Q64-E112 PolarHBondContact N-OE2 2.94Å; Q64-E112 VanDerWaalsContact N-OE2 3.14Å; W65-E112 PolarHBondContact N-OE2 2.67Å; Y108-E112 HydrophobicContact CE1-CB 4.36Å; Y108-E112 WeakPolarHBondContact O-CB 3.29Å; Y108-E112 PolarHBondContact O-N 2.94Å; G109-E112 PolarHBondContact O-N 3.38Å; E112-F114 VanDerWaalsContact C-N 3.3Å; E112-F114 PolarHBondContact O-N 2.67Å; E112-P115 WeakPolarHBondContact O-CD 3.47Å
113M96.8Very high96.5Very high0 Ų069 Ų690%033%0.33CS..THydrogen-bonded Turntrans-80.5-9.3-176.1-64.9-170.7-66.800113.8Y63 G109 M111 M116 A117 V136 M139 Y140 V143Y63-M113 HydrophobicContact CD1-CG 3.86Å; Y63-M113 HydrophobicContact CD1-SD 4.48Å; Y63-M113 HydrophobicContact CD2-CG 4.38Å; Y63-M113 HydrophobicContact CD2-SD 3.94Å; Y63-M113 HydrophobicContact CE1-CG 3.94Å; Y63-M113 HydrophobicContact CE2-CG 4.46Å; Y63-M113 HydrophobicContact CE2-SD 3.99Å; Y63-M113 HydrophobicContact CG-CG 4.08Å; Y63-M113 HydrophobicContact CG-SD 4.19Å; G109-M113 WeakPolarHBondContact O-CB 3.47Å; G109-M113 WeakPolarHBondContact O-CE 3.46Å; G109-M113 WeakPolarHBondContact O-CG 3.36Å; G109-M113 PolarHBondContact O-N 3.12Å; M111-M113 VanDerWaalsContact C-N 3.35Å; M111-M113 PolarHBondContact O-N 3.48Å; M113-M116 WeakPolarHBondContact O-CB 3.42Å; M113-M116 PolarHBondContact O-N 2.95Å; M113-M116 VanDerWaalsContact O-N 3.15Å; M113-A117 PolarHBondContact O-N 2.92Å; M113-V136 HydrophobicContact CB-CG2 4.05Å; M113-M139 HydrophobicContact CE-CB 4.13Å; M113-M139 HydrophobicContact SD-CB 3.52Å; M113-M139 VanDerWaalsContact SD-CB 3.52Å; M113-Y140 HydrophobicContact CB-CE2 3.75Å; M113-Y140 HydrophobicContact CE-CD1 4.41Å; M113-Y140 HydrophobicContact CE-CD2 4.4Å; M113-Y140 HydrophobicContact CE-CE1 4.5Å; M113-Y140 HydrophobicContact CE-CE2 4.47Å; M113-Y140 HydrophobicContact CE-CG 4.36Å; M113-V143 HydrophobicContact CE-CG2 3.8Å
114F96.4Very high96.2Very high111 Ų11170 Ų7049%0.48735%0.349SS..Hα-helixtrans-60.5-44.6-173.4-177.1-107.2000113.9M111 E112 M116 A117 Q118 Y140M111-F114 WeakPolarHBondContact O-CB 3.3Å; M111-F114 PolarHBondContact O-N 3.48Å; E112-F114 VanDerWaalsContact C-N 3.3Å; E112-F114 PolarHBondContact O-N 2.67Å; F114-M116 VanDerWaalsContact C-N 3.27Å; F114-M116 PolarHBondContact O-N 3.35Å; F114-A117 PolarHBondContact O-N 3.46Å; F114-Q118 HydrophobicContact CD1-CG 4.35Å; F114-Q118 VanDerWaalsContact CE1-CD 3.48Å; F114-Q118 HydrophobicContact CE1-CG 4.03Å; F114-Q118 HydrophobicContact CE2-CG 4.44Å; F114-Q118 HydrophobicContact CZ-CG 4.08Å; F114-Q118 VanDerWaalsContact CZ-NE2 3.35Å; F114-Q118 WeakPolarHBondContact O-CG 3.41Å; F114-Q118 PolarHBondContact O-N 3.24Å; F114-Y140 WeakPolarHBondContact CA-OH 3.44Å; F114-Y140 PolarHBondContact N-OH 2.94Å
115P95.7Very high95.9Very high65 Ų6573.4 Ų73.442%0.42236%0.356SS..Hα-helixtrans-61-36.2175.9-22.635000112.6E112 Q118 Q119E112-P115 WeakPolarHBondContact O-CD 3.47Å; P115-Q118 PolarHBondContact O-N 3.01Å; P115-Q119 WeakPolarHBondContact O-CG 3.38Å; P115-Q119 PolarHBondContact O-N 2.9Å
116M95.1Very high95.5Very high73 Ų7374.4 Ų74.436%0.3637%0.365SS..Hα-helixtrans-69.5-38.9177.6-6774.2-171.700111.3M113 F114 Q119 L120 V136M113-M116 WeakPolarHBondContact O-CB 3.42Å; M113-M116 PolarHBondContact O-N 2.95Å; M113-M116 VanDerWaalsContact O-N 3.15Å; F114-M116 VanDerWaalsContact C-N 3.27Å; F114-M116 PolarHBondContact O-N 3.35Å; M116-Q119 PolarHBondContact O-N 2.92Å; M116-L120 PolarHBondContact O-N 3.29Å; M116-V136 HydrophobicContact CB-CB 4.23Å; M116-V136 HydrophobicContact CB-CG1 4.44Å; M116-V136 HydrophobicContact CB-CG2 4.16Å
117A95.1Very high95.1Very high8 Ų881.3 Ų81.37%0.06639%0.391CS..Hα-helixtrans-63.3-42.1171.900000111.6M113 F114 Q119 L120 Y121 V136 Y140M113-A117 PolarHBondContact O-N 2.92Å; F114-A117 PolarHBondContact O-N 3.46Å; A117-Q119 VanDerWaalsContact C-N 3.34Å; A117-Q119 PolarHBondContact O-N 2.87Å; A117-L120 PolarHBondContact O-N 3.13Å; A117-Y121 HydrophobicContact CB-CD2 4.21Å; A117-Y121 HydrophobicContact CB-CE2 4.26Å; A117-Y121 WeakPolarHBondContact O-CD2 3.25Å; A117-Y121 PolarHBondContact O-N 3.34Å; A117-V136 HydrophobicContact CB-CG2 4Å; A117-Y140 HydrophobicContact CB-CD2 4.48Å; A117-Y140 HydrophobicContact CB-CE2 3.75Å
118Q95.6Very high94.9Very high69 Ų6980.7 Ų80.732%0.32238%0.383SS..Hα-helixtrans-60.9-42.3175.4-72.1-173.5-31.800112.4F114 P115 L120 R122F114-Q118 HydrophobicContact CD1-CG 4.35Å; F114-Q118 VanDerWaalsContact CE1-CD 3.48Å; F114-Q118 HydrophobicContact CE1-CG 4.03Å; F114-Q118 HydrophobicContact CE2-CG 4.44Å; F114-Q118 HydrophobicContact CZ-CG 4.08Å; F114-Q118 VanDerWaalsContact CZ-NE2 3.35Å; F114-Q118 WeakPolarHBondContact O-CG 3.41Å; F114-Q118 PolarHBondContact O-N 3.24Å; P115-Q118 PolarHBondContact O-N 3.01Å; Q118-L120 VanDerWaalsContact C-N 3.33Å; Q118-L120 PolarHBondContact O-N 3.05Å; Q118-R122 VanDerWaalsContact O-CB 3.28Å; Q118-R122 WeakPolarHBondContact O-CB 3.21Å; Q118-R122 PolarHBondContact O-N 3.27Å
119Q95.1Very high94.7Very high68 Ų6878.7 Ų78.732%0.31838%0.377SS..Hα-helixtrans-60.8-43175-72.8-68.2-33.700111.6P115 M116 A117 H123 G124 K125 Y127P115-Q119 WeakPolarHBondContact O-CG 3.38Å; P115-Q119 PolarHBondContact O-N 2.9Å; M116-Q119 PolarHBondContact O-N 2.92Å; A117-Q119 VanDerWaalsContact C-N 3.34Å; A117-Q119 PolarHBondContact O-N 2.87Å; Q119-H123 WeakPolarHBondContact O-CA 3.14Å; Q119-H123 VanDerWaalsContact O-CB 3.32Å; Q119-H123 WeakPolarHBondContact O-CB 3.35Å; Q119-H123 PolarHBondContact O-N 3.11Å; Q119-H123 VanDerWaalsContact O-N 3.07Å; Q119-G124 PolarHBondContact O-N 3.23Å; Q119-K125 CarbonylContact C-O 3.52Å; Q119-K125 PolarHBondContact O-N 2.89Å; Q119-Y127 HydrophobicContact CB-CE2 4.11Å; Q119-Y127 HydrophobicContact CG-CE2 4.24Å
120L95.1Very high94.5Very high33 Ų3379.5 Ų79.517%0.17338%0.381CS..Hα-helixtrans-64.6-54.4177.7-17765.4000112.2M116 A117 Q118 G124 K125 A126 S134 V136 S137M116-L120 PolarHBondContact O-N 3.29Å; A117-L120 PolarHBondContact O-N 3.13Å; Q118-L120 VanDerWaalsContact C-N 3.33Å; Q118-L120 PolarHBondContact O-N 3.05Å; L120-G124 WeakPolarHBondContact O-CA 3.43Å; L120-G124 PolarHBondContact O-N 2.96Å; L120-K125 WeakPolarHBondContact CA-O 3.48Å; L120-K125 PolarHBondContact N-O 3.34Å; L120-A126 HydrophobicContact CD1-CB 4.02Å; L120-S134 WeakPolarHBondContact CD2-OG 3.33Å; L120-V136 HydrophobicContact CB-CG1 4.46Å; L120-V136 HydrophobicContact CD2-CG1 3.86Å; L120-S137 WeakPolarHBondContact CD2-OG 3.43Å
121Y93.1Very high94.3Very high172 Ų17283.9 Ų83.968%0.67540%0.396SS*.Hα-helixtrans-77.2-29.7-171.2-71.8-65.7000114A117A117-Y121 HydrophobicContact CB-CD2 4.21Å; A117-Y121 HydrophobicContact CB-CE2 4.26Å; A117-Y121 WeakPolarHBondContact O-CD2 3.25Å; A117-Y121 PolarHBondContact O-N 3.34Å
122R95.7Very high94Very high187 Ų18780.5 Ų80.571%0.70640%0.395SS*.Hα-helixtrans-92.8-32.4179.3-65.4-173.2173.2172.5-1.9113.7Q118Q118-R122 VanDerWaalsContact O-CB 3.28Å; Q118-R122 WeakPolarHBondContact O-CB 3.21Å; Q118-R122 PolarHBondContact O-N 3.27Å
123H95Very high93.8Very high113 Ų11385.7 Ų85.752%0.52342%0.418SS..Hα-helixtrans-117.5-4.6-172.4-51.789.2000113.4Q119 K125Q119-H123 WeakPolarHBondContact O-CA 3.14Å; Q119-H123 VanDerWaalsContact O-CB 3.32Å; Q119-H123 WeakPolarHBondContact O-CB 3.35Å; Q119-H123 PolarHBondContact O-N 3.11Å; Q119-H123 VanDerWaalsContact O-N 3.07Å; H123-K125 HydrophobicContact CB-CD 4.4Å; H123-K125 HydrophobicContact CB-CG 4.23Å; H123-K125 PolarHBondContact O-N 2.95Å
124G91.8Very high93.8Very high65 Ų6586.5 Ų86.567%0.6742%0.423SS*.  trans67.418.2-176.800000113.8Q119 L120Q119-G124 PolarHBondContact O-N 3.23Å; L120-G124 WeakPolarHBondContact O-CA 3.43Å; L120-G124 PolarHBondContact O-N 2.96Å
125K90.6Very high93.7Very high118 Ų11881.2 Ų81.251%0.51340%0.4SS..  trans-103.6122.3-174.4-67-175.9-178.2-179.90111.6Q119 L120 H123 Y127Q119-K125 CarbonylContact C-O 3.52Å; Q119-K125 PolarHBondContact O-N 2.89Å; L120-K125 WeakPolarHBondContact CA-O 3.48Å; L120-K125 PolarHBondContact N-O 3.34Å; H123-K125 HydrophobicContact CB-CD 4.4Å; H123-K125 HydrophobicContact CB-CG 4.23Å; H123-K125 PolarHBondContact O-N 2.95Å; K125-Y127 HydrophobicContact CB-CE2 4.25Å
126A91.8Very high93.8Very high30 Ų3078.4 Ų78.425%0.24838%0.382CS..  trans-113.5135.3170.900000110.2L120 F129L120-A126 HydrophobicContact CD1-CB 4.02Å; A126-F129 HydrophobicContact CB-CE1 3.77Å; A126-F129 HydrophobicContact CB-CZ 3.68Å
127Y89.1Confident93.8Very high151 Ų15176.7 Ų76.759%0.59238%0.377SS*.  trans-112.6-14-178.5-58.5-80.1000113.5Q119 K125Q119-Y127 HydrophobicContact CB-CE2 4.11Å; Q119-Y127 HydrophobicContact CG-CE2 4.24Å; K125-Y127 HydrophobicContact CB-CE2 4.25Å
128R93.3Very high93.9Very high85 Ų8578.4 Ų78.432%0.32139%0.387SS..  trans-133.5138.1-179.1-68.2-172.3-171.2-172.74.9108.3A60 M61 A135A60-R128 HydrophobicContact CB-CB 3.68Å; A60-R128 HydrophobicContact CB-CG 4.11Å; M61-R128 PolarHBondContact O-NH1 2.59Å; R128-A135 HydrophobicContact CB-CB 3.63Å; R128-A135 WeakPolarHBondContact O-CB 3.3Å; R128-A135 PolarHBondContact O-N 3.19Å
129F94Very high94Very high77 Ų7775.5 Ų75.534%0.33837%0.373SS..EExtended strand (participates in β ladder)trans-128.7148-176.1-62.1-86.8000111.5D57 A60 A126 F133D57-F129 WeakPolarHBondContact O-CB 3.44Å; A60-F129 VanDerWaalsContact CB-O 3.3Å; A60-F129 WeakPolarHBondContact CB-O 3.19Å; A60-F129 PolarHBondContact N-O 3.12Å; A126-F129 HydrophobicContact CB-CE1 3.77Å; A126-F129 HydrophobicContact CB-CZ 3.68Å; F129-F133 CarbonylContact C-O 3.49Å; F129-F133 WeakPolarHBondContact CA-O 3.31Å
130I94.3Very high94.1Very high17 Ų1774.8 Ų74.89%0.08737%0.368CS..EExtended strand (participates in β ladder)trans-132.3111.1171.3-64.7175.2000106.2Q58 G132 F133 A135 M139Q58-I130 CarbonylContact O-C 3.58Å; Q58-I130 WeakPolarHBondContact O-CA 3.42Å; I130-G132 VanDerWaalsContact C-N 3.28Å; I130-G132 PolarHBondContact O-N 2.85Å; I130-F133 PolarHBondContact N-O 3Å; I130-F133 PolarHBondContact O-N 3.39Å; I130-A135 HydrophobicContact CD1-CB 3.86Å; I130-A135 HydrophobicContact CG1-CB 3.77Å; I130-M139 HydrophobicContact CD1-CE 3.24Å; I130-M139 HydrophobicContact CD1-CG 4.29Å
131F93.1Very high94.2Very high144 Ų14479.1 Ų79.163%0.63239%0.39SS*.THydrogen-bonded Turntrans47.647.1-178.7-60.5-65.6000113.5L54 Q58 V59 F133L54-F131 HydrophobicContact CD1-CE1 4.25Å; Q58-F131 PolarHBondContact O-N 3.25Å; V59-F131 HydrophobicContact CG2-CE1 4.35Å; V59-F131 HydrophobicContact CG2-CZ 4.11Å; F131-F133 VanDerWaalsContact C-N 3.27Å; F131-F133 WeakPolarHBondContact O-CD2 3.47Å; F131-F133 PolarHBondContact O-N 3.18Å
132G90.4Very high94.5Very high65 Ų6572.6 Ų72.667%0.6737%0.369SS*.THydrogen-bonded Turntrans81.9-917800000115.5I130I130-G132 VanDerWaalsContact C-N 3.28Å; I130-G132 PolarHBondContact O-N 2.85Å
133F93.9Very high94.6Very high148 Ų14864 Ų6465%0.64934%0.337SS*.EExtended strand (participates in β ladder)trans-96.3154173-64.8-81.1000111.7F129 I130 F131 A135 V138F129-F133 CarbonylContact C-O 3.49Å; F129-F133 WeakPolarHBondContact CA-O 3.31Å; I130-F133 PolarHBondContact N-O 3Å; I130-F133 PolarHBondContact O-N 3.39Å; F131-F133 VanDerWaalsContact C-N 3.27Å; F131-F133 WeakPolarHBondContact O-CD2 3.47Å; F131-F133 PolarHBondContact O-N 3.18Å; F133-A135 PolarHBondContact O-N 3.2Å; F133-V138 HydrophobicContact CB-CG2 3.85Å
134S95.2Very high94.7Very high17 Ų1762.2 Ų62.212%0.11933%0.334CS..EExtended strand (participates in β ladder)trans-60.3121.6172.7-177.50000110.4L120 V136 S137 V138L120-S134 WeakPolarHBondContact CD2-OG 3.33Å; S134-V136 PolarHBondContact O-N 3.44Å; S134-V136 VanDerWaalsContact OG-CG1 3.28Å; S134-V136 WeakPolarHBondContact OG-CG1 3.32Å; S134-S137 PolarHBondContact O-N 3.21Å; S134-S137 VanDerWaalsContact O-N 3.08Å; S134-V138 PolarHBondContact O-N 2.94Å
135A95.6Very high95.1Very high0 Ų062.3 Ų62.30%032%0.321CS..Hα-helixtrans-58.3-37.6-175.600000111.9A60 Y63 R128 I130 F133 S137 V138 M139A60-A135 HydrophobicContact CB-CB 4.4Å; Y63-A135 HydrophobicContact CE2-CB 4.34Å; R128-A135 HydrophobicContact CB-CB 3.63Å; R128-A135 WeakPolarHBondContact O-CB 3.3Å; R128-A135 PolarHBondContact O-N 3.19Å; I130-A135 HydrophobicContact CD1-CB 3.86Å; I130-A135 HydrophobicContact CG1-CB 3.77Å; F133-A135 PolarHBondContact O-N 3.2Å; A135-S137 VanDerWaalsContact C-N 3.33Å; A135-S137 PolarHBondContact O-N 3.42Å; A135-V138 PolarHBondContact O-N 2.97Å; A135-M139 WeakPolarHBondContact O-CB 3.38Å; A135-M139 VanDerWaalsContact O-CG 3.26Å; A135-M139 WeakPolarHBondContact O-CG 3.43Å; A135-M139 PolarHBondContact O-N 3.23Å
136V96.6Very high95.4Very high6 Ų656.7 Ų56.74%0.03630%0.297CS..Hα-helixtrans-63.2-38.7178.959.10000111.9M113 M116 A117 L120 S134 M139 Y140M113-V136 HydrophobicContact CB-CG2 4.05Å; M116-V136 HydrophobicContact CB-CB 4.23Å; M116-V136 HydrophobicContact CB-CG1 4.44Å; M116-V136 HydrophobicContact CB-CG2 4.16Å; A117-V136 HydrophobicContact CB-CG2 4Å; L120-V136 HydrophobicContact CB-CG1 4.46Å; L120-V136 HydrophobicContact CD2-CG1 3.86Å; S134-V136 PolarHBondContact O-N 3.44Å; S134-V136 VanDerWaalsContact OG-CG1 3.28Å; S134-V136 WeakPolarHBondContact OG-CG1 3.32Å; V136-M139 PolarHBondContact O-N 3.42Å; V136-Y140 HydrophobicContact CG2-CD2 3.64Å; V136-Y140 HydrophobicContact CG2-CE2 3.61Å; V136-Y140 VanDerWaalsContact O-CD2 3.29Å; V136-Y140 WeakPolarHBondContact O-CD2 3.4Å; V136-Y140 PolarHBondContact O-N 3.47Å
137S95.9Very high95.7Very high38 Ų3857.5 Ų57.527%0.26630%0.304SS..Hα-helixtrans-66.9-45.9177.8-60.40000111.5L120 S134 A135 M139 L141L120-S137 WeakPolarHBondContact CD2-OG 3.43Å; S134-S137 PolarHBondContact O-N 3.21Å; S134-S137 VanDerWaalsContact O-N 3.08Å; A135-S137 VanDerWaalsContact C-N 3.33Å; A135-S137 PolarHBondContact O-N 3.42Å; S137-M139 VanDerWaalsContact C-N 3.34Å; S137-M139 PolarHBondContact O-N 3Å; S137-L141 PolarHBondContact O-N 2.93Å
138V97Very high96.2Very high43 Ų4355.9 Ų55.926%0.26130%0.302SS..Hα-helixtrans-60.7-45.9176.8177.60000110.3F133 S134 A135 L141 V142F133-V138 HydrophobicContact CB-CG2 3.85Å; S134-V138 PolarHBondContact O-N 2.94Å; A135-V138 PolarHBondContact O-N 2.97Å; V138-L141 WeakPolarHBondContact O-CB 3.31Å; V138-L141 PolarHBondContact O-N 2.86Å; V138-V142 WeakPolarHBondContact O-CG2 3.34Å; V138-V142 PolarHBondContact O-N 3.11Å
139M97.3Very high96.4Very high8 Ų852.5 Ų52.54%0.03929%0.29CS..Hα-helixtrans-71.1-33.4-176.6-70.5-61.3158.300113.4L42 Y63 W65 M113 I130 A135 V136 S137 L141 V142 V143L42-M139 HydrophobicContact CD2-CE 4.26Å; L42-M139 HydrophobicContact CD2-SD 4.17Å; Y63-M139 HydrophobicContact CD2-CB 4.5Å; Y63-M139 HydrophobicContact CD2-CG 4.1Å; Y63-M139 HydrophobicContact CE2-CB 4.35Å; Y63-M139 HydrophobicContact CE2-CG 4.01Å; W65-M139 HydrophobicContact CZ2-CB 4.5Å; W65-M139 HydrophobicContact CZ2-SD 4.18Å; M113-M139 HydrophobicContact CE-CB 4.13Å; M113-M139 HydrophobicContact SD-CB 3.52Å; M113-M139 VanDerWaalsContact SD-CB 3.52Å; I130-M139 HydrophobicContact CD1-CE 3.24Å; I130-M139 HydrophobicContact CD1-CG 4.29Å; A135-M139 WeakPolarHBondContact O-CB 3.38Å; A135-M139 VanDerWaalsContact O-CG 3.26Å; A135-M139 WeakPolarHBondContact O-CG 3.43Å; A135-M139 PolarHBondContact O-N 3.23Å; V136-M139 PolarHBondContact O-N 3.42Å; S137-M139 VanDerWaalsContact C-N 3.34Å; S137-M139 PolarHBondContact O-N 3Å; M139-L141 VanDerWaalsContact C-N 3.31Å; M139-L141 PolarHBondContact O-N 3.43Å; M139-V142 PolarHBondContact O-N 3.37Å; M139-V142 HydrophobicContact SD-CB 4.49Å; M139-V142 HydrophobicContact SD-CG2 4.42Å; M139-V143 VanDerWaalsContact O-CG2 3.31Å; M139-V143 WeakPolarHBondContact O-CG2 3.33Å; M139-V143 PolarHBondContact O-N 2.99Å
140Y97.4Very high96.6Very high54 Ų5448.9 Ų48.921%0.21227%0.274CS..Hα-helixtrans-62.2-38.5170.1-93.5-69.2000112.4T110 M113 F114 A117 V136 V143 V144T110-Y140 HydrophobicContact CG2-CE1 4.16Å; T110-Y140 PolarHBondContact O-OH 2.96Å; M113-Y140 HydrophobicContact CB-CE2 3.75Å; M113-Y140 HydrophobicContact CE-CD1 4.41Å; M113-Y140 HydrophobicContact CE-CD2 4.4Å; M113-Y140 HydrophobicContact CE-CE1 4.5Å; M113-Y140 HydrophobicContact CE-CE2 4.47Å; M113-Y140 HydrophobicContact CE-CG 4.36Å; F114-Y140 WeakPolarHBondContact CA-OH 3.44Å; F114-Y140 PolarHBondContact N-OH 2.94Å; A117-Y140 HydrophobicContact CB-CD2 4.48Å; A117-Y140 HydrophobicContact CB-CE2 3.75Å; V136-Y140 HydrophobicContact CG2-CD2 3.64Å; V136-Y140 HydrophobicContact CG2-CE2 3.61Å; V136-Y140 VanDerWaalsContact O-CD2 3.29Å; V136-Y140 WeakPolarHBondContact O-CD2 3.4Å; V136-Y140 PolarHBondContact O-N 3.47Å; Y140-V143 PolarHBondContact O-N 3.45Å; Y140-V144 WeakPolarHBondContact O-CG2 3.48Å; Y140-V144 PolarHBondContact O-N 3.37Å
141L97.8Very high96.8Very high123 Ų12350 Ų5064%0.64429%0.289SS*.Hα-helixtrans-62.7-44.7174.3-68.1172000111.1S137 V138 M139 V143 V144 V145S137-L141 PolarHBondContact O-N 2.93Å; V138-L141 WeakPolarHBondContact O-CB 3.31Å; V138-L141 PolarHBondContact O-N 2.86Å; M139-L141 VanDerWaalsContact C-N 3.31Å; M139-L141 PolarHBondContact O-N 3.43Å; L141-V143 VanDerWaalsContact C-N 3.33Å; L141-V143 PolarHBondContact O-N 3.32Å; L141-V144 PolarHBondContact O-N 3.49Å; L141-V145 WeakPolarHBondContact O-CG2 3.45Å; L141-V145 PolarHBondContact O-N 3.32Å
142V98Very high97.1Very high36 Ų3649.2 Ų49.222%0.21828%0.283CS..Hα-helixtrans-58.1-46.1174.7173.80000110.8I38 L42 W65 V138 M139 V144 V145 A146I38-V142 HydrophobicContact CG2-CG1 4.13Å; L42-V142 HydrophobicContact CD1-CG1 4.45Å; L42-V142 HydrophobicContact CD2-CG1 4.38Å; W65-V142 HydrophobicContact CH2-CG1 4.41Å; V138-V142 WeakPolarHBondContact O-CG2 3.34Å; V138-V142 PolarHBondContact O-N 3.11Å; M139-V142 PolarHBondContact O-N 3.37Å; M139-V142 HydrophobicContact SD-CB 4.49Å; M139-V142 HydrophobicContact SD-CG2 4.42Å; V142-V144 PolarHBondContact O-N 3.35Å; V142-V145 PolarHBondContact O-N 3.28Å; V142-A146 WeakPolarHBondContact O-CB 3.26Å; V142-A146 PolarHBondContact O-N 3.04Å
143V98.2Very high97.5Very high5 Ų546.2 Ų46.23%0.0325%0.251CS..Hα-helixtrans-61.2-43.1179.11680000111.8W65 L106 T110 M113 M139 Y140 L141 A147W65-V143 HydrophobicContact CH2-CG2 3.81Å; W65-V143 HydrophobicContact CZ2-CG2 3.68Å; W65-V143 HydrophobicContact CZ3-CG2 4.34Å; L106-V143 HydrophobicContact CB-CG1 4.27Å; L106-V143 HydrophobicContact CD2-CB 4.36Å; L106-V143 HydrophobicContact CD2-CG1 4.24Å; L106-V143 HydrophobicContact CD2-CG2 4.05Å; T110-V143 HydrophobicContact CG2-CG1 3.57Å; M113-V143 HydrophobicContact CE-CG2 3.8Å; M139-V143 VanDerWaalsContact O-CG2 3.31Å; M139-V143 WeakPolarHBondContact O-CG2 3.33Å; M139-V143 PolarHBondContact O-N 2.99Å; Y140-V143 PolarHBondContact O-N 3.45Å; L141-V143 VanDerWaalsContact C-N 3.33Å; L141-V143 PolarHBondContact O-N 3.32Å; V143-A147 WeakPolarHBondContact O-CB 3.45Å; V143-A147 PolarHBondContact O-N 3.43Å
144V98.3Very high97.7Very high76 Ų7641.5 Ų41.546%0.46123%0.232SC..Hα-helixtrans-64.6-47.7178.5169.90000111.3Y140 L141 V142 A147 Q148Y140-V144 WeakPolarHBondContact O-CG2 3.48Å; Y140-V144 PolarHBondContact O-N 3.37Å; L141-V144 PolarHBondContact O-N 3.49Å; V142-V144 PolarHBondContact O-N 3.35Å; V144-A147 PolarHBondContact O-N 3.25Å; V144-Q148 WeakPolarHBondContact O-CG 3.42Å; V144-Q148 PolarHBondContact O-N 2.87Å
145V98.5Very high97.8Very high67 Ų6745.9 Ų45.941%0.40625%0.247SC..Hα-helixtrans-62.5-46.2178.3174.30000110.5I38 L141 V142 A147 Q148 V149I38-V145 HydrophobicContact CD1-CG1 3.99Å; L141-V145 WeakPolarHBondContact O-CG2 3.45Å; L141-V145 PolarHBondContact O-N 3.32Å; V142-V145 PolarHBondContact O-N 3.28Å; V145-A147 VanDerWaalsContact C-N 3.35Å; V145-A147 PolarHBondContact O-N 2.89Å; V145-Q148 PolarHBondContact O-N 2.93Å; V145-V149 WeakPolarHBondContact O-CG2 3.32Å; V145-V149 PolarHBondContact O-N 3.03Å
146A98.4Very high97.9Very high0 Ų048.3 Ų48.30%026%0.257CS..Hα-helixtrans-60.3-43.6176.900000111.9Y69 L106 V142 Q148 V149 H150Y69-A146 WeakPolarHBondContact OH-CB 3.11Å; L106-A146 HydrophobicContact CD1-CB 3.82Å; L106-A146 HydrophobicContact CD2-CB 3.94Å; V142-A146 WeakPolarHBondContact O-CB 3.26Å; V142-A146 PolarHBondContact O-N 3.04Å; A146-Q148 VanDerWaalsContact C-N 3.31Å; A146-Q148 PolarHBondContact O-N 3.45Å; A146-V149 PolarHBondContact O-N 3.4Å; A146-H150 PolarHBondContact O-CD2 3.36Å; A146-H150 PolarHBondContact O-N 3.04Å
147A98.3Very high98Very high48 Ų4848.2 Ų48.240%0.39726%0.256SS..Hα-helixtrans-61.7-39.6177.400000111.9L106 V143 V144 V145 G151L106-A147 HydrophobicContact CD1-CB 4.29Å; V143-A147 WeakPolarHBondContact O-CB 3.45Å; V143-A147 PolarHBondContact O-N 3.43Å; V144-A147 PolarHBondContact O-N 3.25Å; V145-A147 VanDerWaalsContact C-N 3.35Å; V145-A147 PolarHBondContact O-N 2.89Å; A147-G151 PolarHBondContact O-N 2.75Å
148Q98.5Very high98Very high117 Ų11751 Ų5155%0.54726%0.263SS..Hα-helixtrans-64.2-46.3174.3-71.6177-900111.8V144 V145 A146 H150 G151 W152V144-Q148 WeakPolarHBondContact O-CG 3.42Å; V144-Q148 PolarHBondContact O-N 2.87Å; V145-Q148 PolarHBondContact O-N 2.93Å; A146-Q148 VanDerWaalsContact C-N 3.31Å; A146-Q148 PolarHBondContact O-N 3.45Å; Q148-H150 PolarHBondContact O-N 3.44Å; Q148-G151 PolarHBondContact O-N 3.5Å; Q148-W152 PolarHBondContact O-N 3.34Å
149V98.6Very high98Very high14 Ų1453.4 Ų53.49%0.08527%0.27CS..Hα-helixtrans-57.9-50177.5171.40000110.7L31 M34 H35 I38 V145 A146 W152 Q153L31-V149 HydrophobicContact CB-CG1 4.35Å; L31-V149 HydrophobicContact CD2-CG1 4.33Å; L31-V149 WeakPolarHBondContact O-CG1 3.17Å; M34-V149 HydrophobicContact CB-CG2 4.4Å; H35-V149 HydrophobicContact CB-CG1 4.09Å; I38-V149 HydrophobicContact CD1-CG2 4.37Å; V145-V149 WeakPolarHBondContact O-CG2 3.32Å; V145-V149 PolarHBondContact O-N 3.03Å; A146-V149 PolarHBondContact O-N 3.4Å; V149-W152 PolarHBondContact O-N 3.44Å; V149-Q153 VanDerWaalsContact O-CB 3.31Å; V149-Q153 WeakPolarHBondContact O-CB 3.09Å; V149-Q153 PolarHBondContact O-N 3.04Å
150H98.4Very high97.9Very high1 Ų153 Ų531%0.00527%0.268CS..Hα-helixtrans-67.2-36.8179.8-72.7-54.2000112.9H35 Y69 T98 S102 V103 A146 Q148 Q153 L154H35-H150 AromaticContact CE1-CE1 3.51Å; H35-H150 AromaticContact CE1-NE2 3.44Å; H35-H150 PolarHBondContact CE1-NE2 2.94Å; H35-H150 AromaticContact CG-CE1 3.71Å; H35-H150 AromaticContact ND1-CE1 3.22Å; H35-H150 PolarHBondContact ND1-CE1 3.3Å; H35-H150 AromaticContact ND1-NE2 3.14Å; H35-H150 PolarHBondContact ND1-NE2 3.36Å; H35-H150 VanDerWaalsContact ND1-NE2 3.14Å; Y69-H150 AromaticContact CE2-NE2 3.94Å; Y69-H150 AromaticContact CZ-NE2 3.81Å; Y69-H150 PolarHBondContact OH-NE2 2.95Å; T98-H150 HydrophobicContact CG2-CB 4.47Å; S102-H150 VanDerWaalsContact CB-CE1 3.49Å; S102-H150 WeakPolarHBondContact CB-CE1 3.47Å; V103-H150 HydrophobicContact CG2-CB 4.18Å; A146-H150 PolarHBondContact O-CD2 3.36Å; A146-H150 PolarHBondContact O-N 3.04Å; Q148-H150 PolarHBondContact O-N 3.44Å; H150-Q153 PolarHBondContact O-N 3.37Å; H150-L154 WeakPolarHBondContact O-CG 3.37Å; H150-L154 PolarHBondContact O-N 3.12Å
151G98.2Very high97.9Very high39 Ų3951.2 Ų51.240%0.40226%0.263SS..Hα-helixtrans-61.3-48.8175.700000112.2A147 Q148 L154 Y155A147-G151 PolarHBondContact O-N 2.75Å; Q148-G151 PolarHBondContact O-N 3.5Å; G151-L154 PolarHBondContact O-N 3.42Å; G151-Y155 WeakPolarHBondContact O-CB 3.47Å; G151-Y155 PolarHBondContact O-N 2.74Å
152W98.4Very high97.7Very high129 Ų12948.5 Ų48.549%0.48925%0.249SC..Hα-helixtrans-66.5-37.8175.3-75.6114.4000112.4L31 Q148 V149 L154 Y155 Y156L31-W152 HydrophobicContact CD1-CB 3.7Å; L31-W152 HydrophobicContact CD2-CB 4.14Å; Q148-W152 PolarHBondContact O-N 3.34Å; V149-W152 PolarHBondContact O-N 3.44Å; W152-L154 PolarHBondContact O-N 2.69Å; W152-Y155 AromaticContact CE3-CD1 3.85Å; W152-Y155 HydrophobicContact CE3-CD1 3.85Å; W152-Y155 HydrophobicContact CE3-CE1 4.4Å; W152-Y155 HydrophobicContact CE3-CG 4.42Å; W152-Y155 AromaticContact CZ3-CD1 3.87Å; W152-Y155 HydrophobicContact CZ3-CD1 3.87Å; W152-Y155 AromaticContact CZ3-CE1 3.99Å; W152-Y155 HydrophobicContact CZ3-CE1 3.99Å; W152-Y155 PolarHBondContact O-N 2.96Å; W152-Y156 HydrophobicContact CB-CD2 4.36Å; W152-Y156 HydrophobicContact CB-CE2 4.13Å; W152-Y156 HydrophobicContact CD2-CE2 4.42Å; W152-Y156 HydrophobicContact CE3-CE1 4.47Å; W152-Y156 AromaticContact CE3-CE2 3.85Å; W152-Y156 HydrophobicContact CE3-CE2 3.85Å; W152-Y156 AromaticContact CE3-CZ 3.77Å; W152-Y156 WeakPolarHBondContact O-CD2 3.33Å; W152-Y156 PolarHBondContact O-N 3.43Å
153Q98.1Very high97.3Very high1 Ų147.3 Ų47.31%0.00524%0.242CC..Hα-helixtrans-61.2-45.9177.8-179.1176-7.600111.1I28 L31 V149 H150 S157I28-Q153 HydrophobicContact CG2-CG 4.34Å; L31-Q153 HydrophobicContact CB-CB 4.48Å; L31-Q153 HydrophobicContact CD1-CB 4.3Å; V149-Q153 VanDerWaalsContact O-CB 3.31Å; V149-Q153 WeakPolarHBondContact O-CB 3.09Å; V149-Q153 PolarHBondContact O-N 3.04Å; H150-Q153 PolarHBondContact O-N 3.37Å; Q153-S157 WeakPolarHBondContact O-CB 3.45Å; Q153-S157 PolarHBondContact O-N 3.02Å; Q153-S157 PolarHBondContact O-OG 3.39Å
154L98.3Very high97Very high49 Ų4948.1 Ų48.126%0.25724%0.244SC..Hα-helixtrans-64.1-43.1175.8-77.6172.7000112M95 T98 V103 H150 G151 W152 S157 K158M95-L154 HydrophobicContact CB-CD2 4.13Å; M95-L154 HydrophobicContact CG-CD2 4.31Å; T98-L154 HydrophobicContact CG2-CD1 4.08Å; T98-L154 HydrophobicContact CG2-CD2 3.91Å; T98-L154 HydrophobicContact CG2-CG 3.8Å; V103-L154 HydrophobicContact CG2-CD1 4.09Å; H150-L154 WeakPolarHBondContact O-CG 3.37Å; H150-L154 PolarHBondContact O-N 3.12Å; G151-L154 PolarHBondContact O-N 3.42Å; W152-L154 PolarHBondContact O-N 2.69Å; L154-S157 PolarHBondContact O-N 3.12Å; L154-K158 WeakPolarHBondContact O-CB 3.38Å; L154-K158 PolarHBondContact O-N 3.33Å
155Y98.2Very high96.5Very high109 Ų10950.6 Ų50.643%0.42725%0.249SC..Hα-helixtrans-59.2-51.5178173.8-100.5000112.3G151 W152 K158 K159G151-Y155 WeakPolarHBondContact O-CB 3.47Å; G151-Y155 PolarHBondContact O-N 2.74Å; W152-Y155 AromaticContact CE3-CD1 3.85Å; W152-Y155 HydrophobicContact CE3-CD1 3.85Å; W152-Y155 HydrophobicContact CE3-CE1 4.4Å; W152-Y155 HydrophobicContact CE3-CG 4.42Å; W152-Y155 AromaticContact CZ3-CD1 3.87Å; W152-Y155 HydrophobicContact CZ3-CD1 3.87Å; W152-Y155 AromaticContact CZ3-CE1 3.99Å; W152-Y155 HydrophobicContact CZ3-CE1 3.99Å; W152-Y155 PolarHBondContact O-N 2.96Å; Y155-K158 PolarHBondContact O-N 2.6Å; Y155-K159 HydrophobicContact CD1-CD 4.44Å; Y155-K159 HydrophobicContact CE1-CD 3.79Å; Y155-K159 PolarHBondContact O-N 3.44Å; Y155-K159 VanDerWaalsContact O-N 3.11Å; Y155-K159 WeakPolarHBondContact OH-CE 3.42Å; Y155-K159 PolarHBondContact OH-NZ 3.3Å
156Y98.1Very high95.5Very high52 Ų5251.5 Ų51.520%0.20426%0.255CS..Hα-helixtrans-69.2-34.7178.9-66-51.4000112.2L24 E27 L31 W152 K158 K159 L160L24-Y156 HydrophobicContact CD2-CD1 3.72Å; L24-Y156 HydrophobicContact CD2-CG 4.38Å; E27-Y156 HydrophobicContact CB-CD2 4.06Å; E27-Y156 HydrophobicContact CB-CE2 4.16Å; E27-Y156 HydrophobicContact CB-CG 4.37Å; L31-Y156 HydrophobicContact CD1-CD2 3.64Å; L31-Y156 HydrophobicContact CD1-CE2 3.97Å; W152-Y156 HydrophobicContact CB-CD2 4.36Å; W152-Y156 HydrophobicContact CB-CE2 4.13Å; W152-Y156 HydrophobicContact CD2-CE2 4.42Å; W152-Y156 HydrophobicContact CE3-CE1 4.47Å; W152-Y156 AromaticContact CE3-CE2 3.85Å; W152-Y156 HydrophobicContact CE3-CE2 3.85Å; W152-Y156 AromaticContact CE3-CZ 3.77Å; W152-Y156 WeakPolarHBondContact O-CD2 3.33Å; W152-Y156 PolarHBondContact O-N 3.43Å; Y156-K158 VanDerWaalsContact C-N 3.33Å; Y156-K158 PolarHBondContact O-N 2.95Å; Y156-K159 PolarHBondContact O-N 2.8Å; Y156-L160 WeakPolarHBondContact O-CB 3.32Å; Y156-L160 PolarHBondContact O-N 3.03Å
157S97.4Very high93.9Very high4 Ų457.1 Ų57.13%0.02829%0.294CS..Hα-helixtrans-63.3-40.1174.6-61.20000111.5Q153 L154 L160 L161Q153-S157 WeakPolarHBondContact O-CB 3.45Å; Q153-S157 PolarHBondContact O-N 3.02Å; Q153-S157 PolarHBondContact O-OG 3.39Å; L154-S157 PolarHBondContact O-N 3.12Å; S157-L160 PolarHBondContact O-N 3.45Å; S157-L161 WeakPolarHBondContact O-CB 3.27Å; S157-L161 PolarHBondContact O-N 2.81Å
158K97.4Very high93.6Very high95 Ų9557.6 Ų57.641%0.41329%0.289SS..Hα-helixtrans-63.2-45.7174.6-175.458.217472.50111.7M95 L154 Y155 Y156 L160 L161 D162M95-K158 HydrophobicContact CE-CB 3.82Å; M95-K158 HydrophobicContact CE-CD 3.92Å; M95-K158 HydrophobicContact CE-CG 4.45Å; L154-K158 WeakPolarHBondContact O-CB 3.38Å; L154-K158 PolarHBondContact O-N 3.33Å; Y155-K158 PolarHBondContact O-N 2.6Å; Y156-K158 VanDerWaalsContact C-N 3.33Å; Y156-K158 PolarHBondContact O-N 2.95Å; K158-L160 VanDerWaalsContact C-N 3.3Å; K158-L160 PolarHBondContact O-N 2.95Å; K158-L161 WeakPolarHBondContact O-CB 3.47Å; K158-L161 PolarHBondContact O-N 3.16Å; K158-D162 IonicContact NZ-OD1 3.12Å; K158-D162 PolarHBondContact NZ-OD1 3.37Å; K158-D162 IonicContact NZ-OD2 3.92Å; K158-D162 PolarHBondContact NZ-OD2 3.49Å; K158-D162 VanDerWaalsContact O-CG 3.26Å; K158-D162 PolarHBondContact O-N 3.04Å
159K96.3Very high93.4Very high94 Ų9454.5 Ų54.541%0.40928%0.276SS..Hα-helixtrans-60.6-40175.3-77.2-173.1158.7-174.40112.5L24 Y155 Y156 D162 S163L24-K159 HydrophobicContact CD1-CB 3.89Å; L24-K159 HydrophobicContact CD2-CB 4.04Å; L24-K159 HydrophobicContact CD2-CD 4.39Å; Y155-K159 HydrophobicContact CD1-CD 4.44Å; Y155-K159 HydrophobicContact CE1-CD 3.79Å; Y155-K159 PolarHBondContact O-N 3.44Å; Y155-K159 VanDerWaalsContact O-N 3.11Å; Y155-K159 WeakPolarHBondContact OH-CE 3.42Å; Y155-K159 PolarHBondContact OH-NZ 3.3Å; Y156-K159 PolarHBondContact O-N 2.8Å; K159-D162 PolarHBondContact O-N 2.96Å; K159-S163 WeakPolarHBondContact O-CB 3.29Å; K159-S163 PolarHBondContact O-N 2.96Å
160L95.7Very high93.1Very high0 Ų056.7 Ų56.70%029%0.286CS..Hα-helixtrans-66.5-42.1178-179.662.3000110.9S21 L24 K25 I28 F83 L91 Y156 S157 K158 S163 W164S21-L160 VanDerWaalsContact OG-CD1 3.26Å; S21-L160 WeakPolarHBondContact OG-CD1 3.37Å; L24-L160 HydrophobicContact CB-CB 4.23Å; L24-L160 HydrophobicContact CB-CD1 4.14Å; L24-L160 HydrophobicContact CD1-CB 4.21Å; K25-L160 HydrophobicContact CG-CD1 4.22Å; K25-L160 HydrophobicContact CG-CD2 3.95Å; I28-L160 HydrophobicContact CD1-CB 4.22Å; I28-L160 HydrophobicContact CD1-CD2 3.65Å; F83-L160 HydrophobicContact CD1-CD2 4.26Å; F83-L160 HydrophobicContact CE1-CD2 3.79Å; L91-L160 HydrophobicContact CD1-CD2 4.49Å; L91-L160 HydrophobicContact CD2-CB 4.24Å; L91-L160 HydrophobicContact CD2-CD2 4.1Å; L91-L160 HydrophobicContact CD2-CG 4Å; Y156-L160 WeakPolarHBondContact O-CB 3.32Å; Y156-L160 PolarHBondContact O-N 3.03Å; S157-L160 PolarHBondContact O-N 3.45Å; K158-L160 VanDerWaalsContact C-N 3.3Å; K158-L160 PolarHBondContact O-N 2.95Å; L160-S163 WeakPolarHBondContact O-CB 3.47Å; L160-S163 PolarHBondContact O-N 3.33Å; L160-W164 HydrophobicContact CD1-CD2 4.45Å; L160-W164 HydrophobicContact CD1-CZ2 3.8Å; L160-W164 HydrophobicContact CD2-CH2 3.99Å; L160-W164 HydrophobicContact CD2-CZ2 3.65Å; L160-W164 HydrophobicContact CG-CD2 4.28Å; L160-W164 HydrophobicContact CG-CH2 4.27Å; L160-W164 HydrophobicContact CG-CZ2 3.71Å; L160-W164 PolarHBondContact O-N 3.41Å
161L96Very high92.8Very high17 Ų1760 Ų609%0.08930%0.303CS..Hα-helixtrans-59.3-47.3175.3-174.166000111I88 L91 V92 M95 S157 K158 S163 W164 F165I88-L161 HydrophobicContact CG2-CD1 3.88Å; L91-L161 HydrophobicContact CD2-CB 3.86Å; L91-L161 HydrophobicContact CD2-CD1 4.05Å; L91-L161 HydrophobicContact CG-CD1 4.47Å; V92-L161 HydrophobicContact CG2-CD1 3.72Å; V92-L161 HydrophobicContact CG2-CD2 3.86Å; V92-L161 HydrophobicContact CG2-CG 4.47Å; M95-L161 HydrophobicContact SD-CD2 4.01Å; S157-L161 WeakPolarHBondContact O-CB 3.27Å; S157-L161 PolarHBondContact O-N 2.81Å; K158-L161 WeakPolarHBondContact O-CB 3.47Å; K158-L161 PolarHBondContact O-N 3.16Å; L161-S163 VanDerWaalsContact C-N 3.31Å; L161-S163 PolarHBondContact O-N 2.88Å; L161-W164 PolarHBondContact O-N 3.48Å; L161-W164 VanDerWaalsContact O-N 3.12Å; L161-F165 HydrophobicContact CD1-CD2 3.94Å; L161-F165 HydrophobicContact CD1-CE2 3.52Å; L161-F165 HydrophobicContact CD2-CE2 4.3Å; L161-F165 HydrophobicContact CG-CD2 3.85Å; L161-F165 HydrophobicContact CG-CE2 3.72Å; L161-F165 VanDerWaalsContact O-CD2 3.32Å; L161-F165 WeakPolarHBondContact O-CD2 3.37Å; L161-F165 PolarHBondContact O-N 2.68Å
162D93.8Very high92.5Very high66 Ų6661.3 Ų61.335%0.35330%0.297SS..Hα-helixtrans-62.1-40.1177-66.1-23.3000111.5K158 K159 W164 F165 T166K158-D162 IonicContact NZ-OD1 3.12Å; K158-D162 PolarHBondContact NZ-OD1 3.37Å; K158-D162 IonicContact NZ-OD2 3.92Å; K158-D162 PolarHBondContact NZ-OD2 3.49Å; K158-D162 VanDerWaalsContact O-CG 3.26Å; K158-D162 PolarHBondContact O-N 3.04Å; K159-D162 PolarHBondContact O-N 2.96Å; D162-W164 VanDerWaalsContact C-N 3.29Å; D162-W164 PolarHBondContact O-N 2.94Å; D162-F165 PolarHBondContact O-N 3.23Å; D162-T166 WeakPolarHBondContact O-CB 3.35Å; D162-T166 WeakPolarHBondContact O-CG2 3.24Å; D162-T166 PolarHBondContact O-N 2.72Å; D162-T166 PolarHBondContact O-OG1 3.49Å
163S91.1Very high92.1Very high10 Ų1056.8 Ų56.87%0.0728%0.284CS..Hα-helixtrans-64.4-30.2174.9-175.50000113.3K159 L160 L161 S167K159-S163 WeakPolarHBondContact O-CB 3.29Å; K159-S163 PolarHBondContact O-N 2.96Å; L160-S163 WeakPolarHBondContact O-CB 3.47Å; L160-S163 PolarHBondContact O-N 3.33Å; L161-S163 VanDerWaalsContact C-N 3.31Å; L161-S163 PolarHBondContact O-N 2.88Å; S163-S167 WeakPolarHBondContact O-CB 3.4Å; S163-S167 PolarHBondContact O-N 3.47Å
164W91.3Very high91.6Very high22 Ų2260.8 Ų60.88%0.08330%0.304CS..Hα-helixtrans-82.1-29.3177.3-69.8-10.7000113.1S21 F83 N86 I88 L91 L160 L161 D162S21-W164 PolarHBondContact OG-NE1 3.1Å; F83-W164 HydrophobicContact CD1-CH2 4.31Å; N86-W164 HydrophobicContact CB-CD2 3.92Å; N86-W164 HydrophobicContact CB-CE3 4.29Å; N86-W164 HydrophobicContact CB-CG 4.37Å; N86-W164 HydrophobicContact CB-CH2 4.41Å; N86-W164 HydrophobicContact CB-CZ2 4.03Å; N86-W164 HydrophobicContact CB-CZ3 4.5Å; I88-W164 HydrophobicContact CD1-CB 4.31Å; I88-W164 HydrophobicContact CG1-CB 4.14Å; I88-W164 HydrophobicContact CG1-CE3 3.93Å; L91-W164 HydrophobicContact CB-CE3 4.48Å; L91-W164 HydrophobicContact CB-CH2 4.46Å; L91-W164 HydrophobicContact CB-CZ3 3.74Å; L91-W164 HydrophobicContact CD2-CD2 4.45Å; L91-W164 HydrophobicContact CD2-CE3 3.7Å; L91-W164 HydrophobicContact CD2-CH2 3.96Å; L91-W164 HydrophobicContact CD2-CZ3 3.44Å; L91-W164 VanDerWaalsContact CD2-CZ3 3.44Å; L91-W164 HydrophobicContact CG-CZ3 4.18Å; L160-W164 HydrophobicContact CD1-CD2 4.45Å; L160-W164 HydrophobicContact CD1-CZ2 3.8Å; L160-W164 HydrophobicContact CD2-CH2 3.99Å; L160-W164 HydrophobicContact CD2-CZ2 3.65Å; L160-W164 HydrophobicContact CG-CD2 4.28Å; L160-W164 HydrophobicContact CG-CH2 4.27Å; L160-W164 HydrophobicContact CG-CZ2 3.71Å; L160-W164 PolarHBondContact O-N 3.41Å; L161-W164 PolarHBondContact O-N 3.48Å; L161-W164 VanDerWaalsContact O-N 3.12Å; D162-W164 VanDerWaalsContact C-N 3.29Å; D162-W164 PolarHBondContact O-N 2.94Å
165F87.2Confident91.1Very high128 Ų12861.7 Ų61.756%0.56131%0.307SS*.Hα-helixtrans-78.9-26.5175.1-84.7-67.1000113.7I88 L161 D162I88-F165 HydrophobicContact CD1-CD1 4.21Å; I88-F165 HydrophobicContact CD1-CE1 4.07Å; I88-F165 HydrophobicContact CD1-CZ 4.26Å; I88-F165 HydrophobicContact CG2-CE1 4.24Å; I88-F165 HydrophobicContact CG2-CE2 3.78Å; I88-F165 HydrophobicContact CG2-CZ 3.48Å; I88-F165 VanDerWaalsContact CG2-CZ 3.48Å; L161-F165 HydrophobicContact CD1-CD2 3.94Å; L161-F165 HydrophobicContact CD1-CE2 3.52Å; L161-F165 HydrophobicContact CD2-CE2 4.3Å; L161-F165 HydrophobicContact CG-CD2 3.85Å; L161-F165 HydrophobicContact CG-CE2 3.72Å; L161-F165 VanDerWaalsContact O-CD2 3.32Å; L161-F165 WeakPolarHBondContact O-CD2 3.37Å; L161-F165 PolarHBondContact O-N 2.68Å; D162-F165 PolarHBondContact O-N 3.23Å
166T77.9Confident90.5Very high87 Ų8757.8 Ų57.853%0.53430%0.297SS..  trans-96.9-7-177.454.70000114.3D162D162-T166 WeakPolarHBondContact O-CB 3.35Å; D162-T166 WeakPolarHBondContact O-CG2 3.24Å; D162-T166 PolarHBondContact O-N 2.72Å; D162-T166 PolarHBondContact O-OG1 3.49Å
167S64.1Low89.8Confident118 Ų11858.3 Ų58.383%0.82531%0.306SS*.  trans-86.80171.9-177.10000111.5S163S163-S167 WeakPolarHBondContact O-CB 3.4Å; S163-S167 PolarHBondContact O-N 3.47Å

Retrieved 167 of 167 residues in 249.3 ms (Link to these results)

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