A0A3Q0KS22_SCHMA Loading...

DH domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KS22, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 388 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M61.2Low89.7Confident128 Ų12869.8 Ų69.863%0.63136%0.361SS*.  0136.30-161.6177.1-120.500106.9I3 Y5 Q6 G80M1-I3 PolarHBondContact O-N 3.27Å; M1-Y5 HydrophobicContact CE-CD1 3.89Å; M1-Y5 HydrophobicContact CE-CE1 3.6Å; M1-Y5 HydrophobicContact CG-CD1 3.79Å; M1-Y5 HydrophobicContact CG-CE1 4.46Å; M1-Y5 HydrophobicContact SD-CD1 3.81Å; M1-Y5 HydrophobicContact SD-CE1 4.12Å; M1-Q6 HydrophobicContact CB-CG 4.18Å; M1-Q6 HydrophobicContact CG-CG 3.87Å; M1-Q6 HydrophobicContact SD-CG 3.46Å; M1-Q6 WeakPolarHBondContact SD-CG 3.38Å; M1-G80 VanDerWaalsContact CE-O 3.26Å; M1-G80 WeakPolarHBondContact CE-O 3.23Å
2N82.6Confident90.1Very high64 Ų6464.3 Ų64.334%0.34233%0.333SS..  trans-58.6131.7177.7178.4-1.1000109.5T4 Y5 Q6 E168N2-T4 PolarHBondContact O-N 3.41Å; N2-T4 PolarHBondContact OD1-N 3.38Å; N2-T4 PolarHBondContact OD1-OG1 3.35Å; N2-Y5 WeakPolarHBondContact O-CB 3.46Å; N2-Y5 PolarHBondContact O-N 3Å; N2-Y5 VanDerWaalsContact O-N 3.08Å; N2-Q6 PolarHBondContact O-N 3.17Å; N2-Q6 VanDerWaalsContact O-N 3.1Å; N2-E168 PolarHBondContact ND2-O 3.31Å
3I89.8Confident90.7Very high124 Ų12461.5 Ų61.564%0.63632%0.318SS*.Hα-helixtrans-57.3-40.6179.1-65169.8000109.7M1 Y5 Q6 L7M1-I3 PolarHBondContact O-N 3.27Å; I3-Y5 VanDerWaalsContact C-N 3.34Å; I3-Y5 PolarHBondContact O-N 3.2Å; I3-Q6 PolarHBondContact O-N 2.78Å; I3-L7 HydrophobicContact CG2-CD1 4.31Å; I3-L7 WeakPolarHBondContact O-CG 3.49Å; I3-L7 PolarHBondContact O-N 3.06Å
4T92.2Very high91.1Very high63 Ų6362.9 Ų62.939%0.38733%0.326SS..Hα-helixtrans-62.5-41.6177.4-44.90000111.5N2 Q6 L7 V8 E168N2-T4 PolarHBondContact O-N 3.41Å; N2-T4 PolarHBondContact OD1-N 3.38Å; N2-T4 PolarHBondContact OD1-OG1 3.35Å; T4-Q6 VanDerWaalsContact C-N 3.33Å; T4-Q6 PolarHBondContact O-N 2.87Å; T4-L7 PolarHBondContact O-N 2.87Å; T4-V8 WeakPolarHBondContact O-CG2 3.22Å; T4-V8 PolarHBondContact O-N 3.49Å; T4-E168 HydrophobicContact CG2-CG 3.85Å; T4-E168 WeakPolarHBondContact CG2-OE2 3.49Å
5Y93.7Very high91.4Very high9 Ų961.3 Ų61.34%0.03532%0.321CS..Hα-helixtrans-59.9-43.5175.5-177.1-86.1000111.8M1 N2 I3 L7 V8 W9 G80 L165 E168 A169 L177M1-Y5 HydrophobicContact CE-CD1 3.89Å; M1-Y5 HydrophobicContact CE-CE1 3.6Å; M1-Y5 HydrophobicContact CG-CD1 3.79Å; M1-Y5 HydrophobicContact CG-CE1 4.46Å; M1-Y5 HydrophobicContact SD-CD1 3.81Å; M1-Y5 HydrophobicContact SD-CE1 4.12Å; N2-Y5 WeakPolarHBondContact O-CB 3.46Å; N2-Y5 PolarHBondContact O-N 3Å; N2-Y5 VanDerWaalsContact O-N 3.08Å; I3-Y5 VanDerWaalsContact C-N 3.34Å; I3-Y5 PolarHBondContact O-N 3.2Å; Y5-L7 VanDerWaalsContact C-N 3.34Å; Y5-L7 PolarHBondContact O-N 3.42Å; Y5-V8 PolarHBondContact O-N 3.3Å; Y5-W9 WeakPolarHBondContact O-CB 3.4Å; Y5-W9 PolarHBondContact O-N 3.01Å; Y5-G80 VanDerWaalsContact CE1-O 3.3Å; Y5-G80 WeakPolarHBondContact CE1-O 3.46Å; Y5-G80 PolarHBondContact OH-O 2.64Å; Y5-L165 HydrophobicContact CD2-CD2 4.16Å; Y5-L165 WeakPolarHBondContact CD2-O 3.48Å; Y5-L165 HydrophobicContact CE1-CD2 4.3Å; Y5-L165 HydrophobicContact CE2-CB 4.23Å; Y5-L165 HydrophobicContact CE2-CD2 3.83Å; Y5-L165 WeakPolarHBondContact CE2-O 3.44Å; Y5-E168 HydrophobicContact CD2-CB 4.33Å; Y5-A169 HydrophobicContact CD2-CB 4.04Å; Y5-A169 HydrophobicContact CE2-CB 3.82Å; Y5-L177 HydrophobicContact CE2-CD1 3.91Å
6Q92.7Very high91.7Very high91 Ų9157.5 Ų57.543%0.42530%0.301SS..Hα-helixtrans-64.7-37.3177.5-71.8-177.5-31.200112.6M1 N2 I3 T4 W9 T10M1-Q6 HydrophobicContact CB-CG 4.18Å; M1-Q6 HydrophobicContact CG-CG 3.87Å; M1-Q6 HydrophobicContact SD-CG 3.46Å; M1-Q6 WeakPolarHBondContact SD-CG 3.38Å; N2-Q6 PolarHBondContact O-N 3.17Å; N2-Q6 VanDerWaalsContact O-N 3.1Å; I3-Q6 PolarHBondContact O-N 2.78Å; T4-Q6 VanDerWaalsContact C-N 3.33Å; T4-Q6 PolarHBondContact O-N 2.87Å; Q6-W9 PolarHBondContact O-N 3.38Å; Q6-T10 WeakPolarHBondContact O-CB 3.13Å; Q6-T10 PolarHBondContact O-N 2.82Å; Q6-T10 PolarHBondContact O-OG1 3.38Å
7L94.3Very high92Very high114 Ų11458.1 Ų58.160%0.59731%0.305SS*.Hα-helixtrans-64.5-45.2174.6-69.8173.3000111.6I3 T4 Y5 W9 T10 E11I3-L7 HydrophobicContact CG2-CD1 4.31Å; I3-L7 WeakPolarHBondContact O-CG 3.49Å; I3-L7 PolarHBondContact O-N 3.06Å; T4-L7 PolarHBondContact O-N 2.87Å; Y5-L7 VanDerWaalsContact C-N 3.34Å; Y5-L7 PolarHBondContact O-N 3.42Å; L7-W9 VanDerWaalsContact C-N 3.31Å; L7-W9 PolarHBondContact O-N 2.88Å; L7-T10 PolarHBondContact O-N 3.46Å; L7-E11 PolarHBondContact O-N 2.97Å
8V94.2Very high92.2Very high19 Ų1962.8 Ų62.812%0.11532%0.322CS..Hα-helixtrans-65.8-36.2177.1-179.40000111.3T4 Y5 E11 L12 K164 L165 E168T4-V8 WeakPolarHBondContact O-CG2 3.22Å; T4-V8 PolarHBondContact O-N 3.49Å; Y5-V8 PolarHBondContact O-N 3.3Å; V8-E11 WeakPolarHBondContact O-CB 3.39Å; V8-E11 PolarHBondContact O-N 3.45Å; V8-L12 PolarHBondContact O-N 2.87Å; V8-K164 HydrophobicContact CG1-CB 3.69Å; V8-L165 HydrophobicContact CB-CD2 3.93Å; V8-L165 HydrophobicContact CG1-CB 4.46Å; V8-L165 HydrophobicContact CG1-CD2 3.73Å; V8-L165 HydrophobicContact CG1-CG 3.76Å; V8-E168 HydrophobicContact CG2-CG 4.19Å
9W95.4Very high92.4Very high19 Ų1960.3 Ų60.37%0.07231%0.308CS..Hα-helixtrans-63.1-44173.8170.8-115.4000111.7Y5 Q6 L7 L12 L13 L75 C78 G80 I85 L165Y5-W9 WeakPolarHBondContact O-CB 3.4Å; Y5-W9 PolarHBondContact O-N 3.01Å; Q6-W9 PolarHBondContact O-N 3.38Å; L7-W9 VanDerWaalsContact C-N 3.31Å; L7-W9 PolarHBondContact O-N 2.88Å; W9-L12 HydrophobicContact CE3-CD2 4.39Å; W9-L12 HydrophobicContact CZ3-CD1 4.47Å; W9-L12 HydrophobicContact CZ3-CD2 3.95Å; W9-L12 WeakPolarHBondContact O-CB 3.36Å; W9-L12 PolarHBondContact O-N 3.13Å; W9-L13 HydrophobicContact CH2-CD2 4.06Å; W9-L13 HydrophobicContact CH2-CG 4.49Å; W9-L13 HydrophobicContact CZ2-CD1 3.94Å; W9-L13 HydrophobicContact CZ2-CD2 3.88Å; W9-L13 HydrophobicContact CZ2-CG 4.05Å; W9-L13 PolarHBondContact O-N 3.33Å; W9-L75 HydrophobicContact CH2-CD1 3.75Å; W9-L75 HydrophobicContact CH2-CG 3.83Å; W9-L75 WeakPolarHBondContact CH2-O 3Å; W9-L75 WeakPolarHBondContact CZ2-O 3.24Å; W9-L75 HydrophobicContact CZ3-CD1 3.98Å; W9-L75 HydrophobicContact CZ3-CG 4.32Å; W9-C78 HydrophobicContact CH2-CB 4.04Å; W9-C78 HydrophobicContact CZ2-CB 4.4Å; W9-G80 VanDerWaalsContact CE2-N 3.29Å; W9-I85 HydrophobicContact CE3-CD1 4.02Å; W9-I85 HydrophobicContact CH2-CD1 4.43Å; W9-I85 HydrophobicContact CH2-CG1 4.43Å; W9-I85 HydrophobicContact CZ3-CD1 3.73Å; W9-I85 HydrophobicContact CZ3-CG1 4.09Å; W9-L165 HydrophobicContact CB-CD2 3.97Å; W9-L165 HydrophobicContact CE3-CD1 4.09Å
10T95.1Very high92.6Very high65 Ų6557.6 Ų57.640%0.39930%0.295SS..Hα-helixtrans-64.4-41.4176.4-53.40000110.9Q6 L7 L12 L13 D14Q6-T10 WeakPolarHBondContact O-CB 3.13Å; Q6-T10 PolarHBondContact O-N 2.82Å; Q6-T10 PolarHBondContact O-OG1 3.38Å; L7-T10 PolarHBondContact O-N 3.46Å; T10-L12 VanDerWaalsContact C-N 3.28Å; T10-L12 PolarHBondContact O-N 3.34Å; T10-L13 PolarHBondContact O-N 3Å; T10-L13 VanDerWaalsContact O-N 3.16Å; T10-D14 WeakPolarHBondContact O-CB 3.38Å; T10-D14 PolarHBondContact O-N 3.43Å
11E95.1Very high92.8Very high72 Ų7259.1 Ų59.134%0.33630%0.303SS..Hα-helixtrans-55.8-42.9173.1-174.4-166.4159.900111.4L7 V8 L13 D14 T15 K164L7-E11 PolarHBondContact O-N 2.97Å; V8-E11 WeakPolarHBondContact O-CB 3.39Å; V8-E11 PolarHBondContact O-N 3.45Å; E11-L13 PolarHBondContact O-N 2.72Å; E11-D14 PolarHBondContact O-N 2.9Å; E11-T15 HydrophobicContact CG-CG2 4.37Å; E11-T15 WeakPolarHBondContact O-CB 3.49Å; E11-T15 VanDerWaalsContact O-CG2 3.22Å; E11-T15 WeakPolarHBondContact O-CG2 3.44Å; E11-T15 PolarHBondContact O-N 2.81Å; E11-T15 PolarHBondContact O-OG1 3.46Å; E11-T15 VanDerWaalsContact O-OG1 3.04Å; E11-K164 IonicContact OE1-NZ 3.62Å; E11-K164 PolarHBondContact OE1-NZ 2.77Å; E11-K164 IonicContact OE2-NZ 3Å
12L95.3Very high94.3Very high3 Ų354.8 Ų54.82%0.01628%0.283CS..Hα-helixtrans-62.3-43.6178.2-176.5159.1000111.7V8 W9 T10 T15 E16 L75 L161 L162 L165V8-L12 PolarHBondContact O-N 2.87Å; W9-L12 HydrophobicContact CE3-CD2 4.39Å; W9-L12 HydrophobicContact CZ3-CD1 4.47Å; W9-L12 HydrophobicContact CZ3-CD2 3.95Å; W9-L12 WeakPolarHBondContact O-CB 3.36Å; W9-L12 PolarHBondContact O-N 3.13Å; T10-L12 VanDerWaalsContact C-N 3.28Å; T10-L12 PolarHBondContact O-N 3.34Å; L12-T15 PolarHBondContact O-OG1 2.92Å; L12-E16 PolarHBondContact O-N 3.45Å; L12-L75 HydrophobicContact CD2-CD1 4.05Å; L12-L75 HydrophobicContact CD2-CD2 3.34Å; L12-L75 HydrophobicContact CD2-CG 3.86Å; L12-L161 HydrophobicContact CD1-CB 4.01Å; L12-L161 HydrophobicContact CG-CB 4.33Å; L12-L161 HydrophobicContact CG-CD1 4.37Å; L12-L162 HydrophobicContact CD1-CD2 4.4Å; L12-L165 HydrophobicContact CD1-CD1 3.61Å
13L97Very high94.9Very high28 Ų2851.8 Ų51.815%0.14727%0.266CS..Hα-helixtrans-66.9-41.8175.6-65.1179.2000112.3W9 T10 E11 T15 E16 N17 L72 L75 K76W9-L13 HydrophobicContact CH2-CD2 4.06Å; W9-L13 HydrophobicContact CH2-CG 4.49Å; W9-L13 HydrophobicContact CZ2-CD1 3.94Å; W9-L13 HydrophobicContact CZ2-CD2 3.88Å; W9-L13 HydrophobicContact CZ2-CG 4.05Å; W9-L13 PolarHBondContact O-N 3.33Å; T10-L13 PolarHBondContact O-N 3Å; T10-L13 VanDerWaalsContact O-N 3.16Å; E11-L13 PolarHBondContact O-N 2.72Å; L13-T15 PolarHBondContact O-N 3.18Å; L13-E16 PolarHBondContact O-N 2.8Å; L13-N17 PolarHBondContact O-N 2.73Å; L13-L72 HydrophobicContact CD2-CD1 4.33Å; L13-L75 HydrophobicContact CD2-CB 4.29Å; L13-L75 HydrophobicContact CD2-CD2 4.08Å; L13-L75 HydrophobicContact CD2-CG 3.82Å; L13-K76 HydrophobicContact CD1-CG 4.26Å; L13-K76 HydrophobicContact CD2-CG 4.01Å
14D96.3Very high95.1Very high81 Ų8148.2 Ų48.243%0.43325%0.247SC..Hα-helixtrans-64.8-40.5179.3-75.7-15000112T10 E11 E16 N17 K18T10-D14 WeakPolarHBondContact O-CB 3.38Å; T10-D14 PolarHBondContact O-N 3.43Å; E11-D14 PolarHBondContact O-N 2.9Å; D14-E16 VanDerWaalsContact C-N 3.31Å; D14-E16 PolarHBondContact O-N 3.39Å; D14-N17 PolarHBondContact O-N 2.93Å; D14-K18 WeakPolarHBondContact O-CB 3.43Å; D14-K18 VanDerWaalsContact O-CG 3.25Å; D14-K18 WeakPolarHBondContact O-CG 3.49Å; D14-K18 PolarHBondContact O-N 3.16Å
15T95.7Very high95Very high40 Ų4048.4 Ų48.425%0.24525%0.246CC..Hα-helixtrans-65.9-34.7176.455.60000112.1E11 L12 L13 Y19E11-T15 HydrophobicContact CG-CG2 4.37Å; E11-T15 WeakPolarHBondContact O-CB 3.49Å; E11-T15 VanDerWaalsContact O-CG2 3.22Å; E11-T15 WeakPolarHBondContact O-CG2 3.44Å; E11-T15 PolarHBondContact O-N 2.81Å; E11-T15 PolarHBondContact O-OG1 3.46Å; E11-T15 VanDerWaalsContact O-OG1 3.04Å; L12-T15 PolarHBondContact O-OG1 2.92Å; L13-T15 PolarHBondContact O-N 3.18Å; T15-Y19 WeakPolarHBondContact O-CB 3.33Å; T15-Y19 PolarHBondContact O-N 3.08Å
16E96.5Very high94.8Very high0 Ų048.4 Ų48.40%025%0.247CC..Hα-helixtrans-66.7-45.9172.9-178.659.6-175.400111.7L12 L13 D14 K18 Y19 I20 H67 V71 L72 R154 Y158L12-E16 PolarHBondContact O-N 3.45Å; L13-E16 PolarHBondContact O-N 2.8Å; D14-E16 VanDerWaalsContact C-N 3.31Å; D14-E16 PolarHBondContact O-N 3.39Å; E16-K18 VanDerWaalsContact C-N 3.33Å; E16-K18 PolarHBondContact O-N 2.62Å; E16-Y19 WeakPolarHBondContact O-CB 3.46Å; E16-Y19 PolarHBondContact O-N 3.07Å; E16-Y19 VanDerWaalsContact O-N 3.13Å; E16-I20 HydrophobicContact CG-CD1 4.07Å; E16-I20 WeakPolarHBondContact O-CG1 3.08Å; E16-I20 PolarHBondContact O-N 2.74Å; E16-H67 WeakPolarHBondContact OE1-CB 3.19Å; E16-H67 IonicContact OE1-CE1 3.21Å; E16-H67 IonicContact OE1-CG 2.81Å; E16-H67 IonicContact OE1-ND1 3.06Å; E16-H67 PolarHBondContact OE1-ND1 3.13Å; E16-H67 IonicContact OE2-ND1 3.84Å; E16-V71 HydrophobicContact CG-CG1 4.3Å; E16-V71 VanDerWaalsContact OE1-CG1 3.24Å; E16-V71 WeakPolarHBondContact OE1-CG1 3.27Å; E16-L72 HydrophobicContact CB-CD1 4.16Å; E16-L72 HydrophobicContact CG-CB 3.93Å; E16-L72 HydrophobicContact CG-CD1 3.9Å; E16-L72 HydrophobicContact CG-CG 4.45Å; E16-R154 IonicContact OE2-CZ 2.7Å; E16-R154 IonicContact OE2-NE 3.58Å; E16-R154 PolarHBondContact OE2-NE 3.46Å; E16-R154 IonicContact OE2-NH2 3.42Å; E16-R154 PolarHBondContact OE2-NH2 3.07Å; E16-Y158 PolarHBondContact OE2-OH 3.02Å
17N96.6Very high94.6Very high68 Ų6846.4 Ų46.436%0.36424%0.236SC..Hα-helixtrans-61.4-42176.8-168.769.2000112L13 D14 Y19 I20 N21 L72L13-N17 PolarHBondContact O-N 2.73Å; D14-N17 PolarHBondContact O-N 2.93Å; N17-Y19 VanDerWaalsContact C-N 3.32Å; N17-Y19 PolarHBondContact O-N 3.44Å; N17-I20 PolarHBondContact O-N 2.97Å; N17-N21 VanDerWaalsContact O-CG 3.3Å; N17-N21 PolarHBondContact O-N 3.16Å; N17-N21 PolarHBondContact O-ND2 3.13Å; N17-L72 HydrophobicContact CB-CD2 4.45Å
18K96Very high94.3Very high142 Ų14243.7 Ų43.762%0.61722%0.222SC*.Hα-helixtrans-61-40173.5-74.6169.7-177.5170.60112D14 E16 N21 L22D14-K18 WeakPolarHBondContact O-CB 3.43Å; D14-K18 VanDerWaalsContact O-CG 3.25Å; D14-K18 WeakPolarHBondContact O-CG 3.49Å; D14-K18 PolarHBondContact O-N 3.16Å; E16-K18 VanDerWaalsContact C-N 3.33Å; E16-K18 PolarHBondContact O-N 2.62Å; K18-N21 PolarHBondContact O-N 2.96Å; K18-L22 WeakPolarHBondContact O-CB 3.32Å; K18-L22 PolarHBondContact O-N 3.3Å
19Y96.4Very high93.9Very high15 Ų1548.2 Ų48.26%0.05924%0.24CC..Hα-helixtrans-65.9-41.4176.1176.2-111.7000112.1T15 E16 N17 L22 L23 H67 P151 R154T15-Y19 WeakPolarHBondContact O-CB 3.33Å; T15-Y19 PolarHBondContact O-N 3.08Å; E16-Y19 WeakPolarHBondContact O-CB 3.46Å; E16-Y19 PolarHBondContact O-N 3.07Å; E16-Y19 VanDerWaalsContact O-N 3.13Å; N17-Y19 VanDerWaalsContact C-N 3.32Å; N17-Y19 PolarHBondContact O-N 3.44Å; Y19-L22 HydrophobicContact CD2-CD2 4.07Å; Y19-L22 HydrophobicContact CE2-CD2 4.43Å; Y19-L22 WeakPolarHBondContact O-CB 3.47Å; Y19-L22 PolarHBondContact O-N 3.15Å; Y19-L23 HydrophobicContact CD1-CD1 4.11Å; Y19-L23 HydrophobicContact CD1-CG 4.46Å; Y19-L23 HydrophobicContact CD2-CG 4.46Å; Y19-L23 HydrophobicContact CE1-CD1 3.47Å; Y19-L23 VanDerWaalsContact CE1-CD1 3.47Å; Y19-L23 HydrophobicContact CE1-CG 4.04Å; Y19-L23 HydrophobicContact CE2-CD1 4.33Å; Y19-L23 HydrophobicContact CE2-CD2 3.97Å; Y19-L23 HydrophobicContact CE2-CG 4.04Å; Y19-L23 WeakPolarHBondContact O-CG 2.81Å; Y19-L23 PolarHBondContact O-N 3.18Å; Y19-H67 AromaticContact CD1-ND1 3.82Å; Y19-H67 HydrophobicContact CE1-CB 4.45Å; Y19-H67 AromaticContact CE1-CD2 3.8Å; Y19-H67 AromaticContact CE1-CE1 3.68Å; Y19-H67 AromaticContact CE1-CG 3.71Å; Y19-H67 AromaticContact CE1-ND1 3.65Å; Y19-H67 AromaticContact CE1-NE2 3.77Å; Y19-P151 WeakPolarHBondContact OH-CA 3.12Å; Y19-P151 WeakPolarHBondContact OH-CB 3.24Å; Y19-R154 HydrophobicContact CD1-CB 4.47Å; Y19-R154 HydrophobicContact CD1-CG 3.68Å; Y19-R154 HydrophobicContact CD2-CB 4.02Å; Y19-R154 HydrophobicContact CD2-CG 4.04Å; Y19-R154 HydrophobicContact CE1-CB 4.17Å; Y19-R154 HydrophobicContact CE1-CG 3.62Å; Y19-R154 HydrophobicContact CE2-CB 3.69Å; Y19-R154 HydrophobicContact CE2-CG 3.98Å; Y19-R154 HydrophobicContact CG-CB 4.39Å; Y19-R154 HydrophobicContact CG-CG 3.88Å
20I96.7Very high93.3Very high7 Ų747.8 Ų47.84%0.03624%0.239CC..Hα-helixtrans-61.5-46.8174.7-70158.2000111.2E16 N17 L22 L23 Q24 L64 H67 K68 L72E16-I20 HydrophobicContact CG-CD1 4.07Å; E16-I20 WeakPolarHBondContact O-CG1 3.08Å; E16-I20 PolarHBondContact O-N 2.74Å; N17-I20 PolarHBondContact O-N 2.97Å; I20-L22 VanDerWaalsContact C-N 3.27Å; I20-L22 PolarHBondContact O-N 3.28Å; I20-L23 PolarHBondContact O-N 3.36Å; I20-L23 VanDerWaalsContact O-N 3.13Å; I20-Q24 WeakPolarHBondContact O-CB 3.32Å; I20-Q24 PolarHBondContact O-N 2.72Å; I20-L64 HydrophobicContact CG2-CD1 4.08Å; I20-H67 HydrophobicContact CD1-CB 4.45Å; I20-H67 HydrophobicContact CG1-CB 3.9Å; I20-K68 HydrophobicContact CG2-CB 3.99Å; I20-K68 HydrophobicContact CG2-CD 4.27Å; I20-K68 HydrophobicContact CG2-CG 4.08Å; I20-L72 HydrophobicContact CD1-CB 3.74Å; I20-L72 HydrophobicContact CD1-CD2 3.71Å; I20-L72 HydrophobicContact CD1-CG 4.31Å
21N96.1Very high92.6Very high90 Ų9046.9 Ų46.948%0.48123%0.231SC..Hα-helixtrans-61.2-38.4178.3-70.2-20000112N17 K18 Q24 D25N17-N21 VanDerWaalsContact O-CG 3.3Å; N17-N21 PolarHBondContact O-N 3.16Å; N17-N21 PolarHBondContact O-ND2 3.13Å; K18-N21 PolarHBondContact O-N 2.96Å; N21-Q24 PolarHBondContact O-N 3.22Å; N21-D25 WeakPolarHBondContact O-CB 3.45Å; N21-D25 PolarHBondContact O-N 3.29Å
22L93.1Very high91.9Very high37 Ų3749.7 Ų49.719%0.19425%0.248CC..Hα-helixtrans-61.9-48.9172.317189000111.6K18 Y19 I20 Q24 D25 V26 K150K18-L22 WeakPolarHBondContact O-CB 3.32Å; K18-L22 PolarHBondContact O-N 3.3Å; Y19-L22 HydrophobicContact CD2-CD2 4.07Å; Y19-L22 HydrophobicContact CE2-CD2 4.43Å; Y19-L22 WeakPolarHBondContact O-CB 3.47Å; Y19-L22 PolarHBondContact O-N 3.15Å; I20-L22 VanDerWaalsContact C-N 3.27Å; I20-L22 PolarHBondContact O-N 3.28Å; L22-Q24 VanDerWaalsContact C-N 3.27Å; L22-Q24 PolarHBondContact O-N 3.39Å; L22-D25 PolarHBondContact O-N 2.84Å; L22-V26 WeakPolarHBondContact O-CG2 2.98Å; L22-V26 PolarHBondContact O-N 3.07Å; L22-K150 HydrophobicContact CD1-CD 3.96Å; L22-K150 HydrophobicContact CD2-CB 4.11Å; L22-K150 HydrophobicContact CD2-CD 3.33Å; L22-K150 HydrophobicContact CD2-CG 4.36Å; L22-K150 HydrophobicContact CG-CD 4.19Å
23L93.9Very high90.7Very high0 Ų050.2 Ų50.20%025%0.25CS..Hα-helixtrans-59.4-41.9178.5-71-176.5000111.1Y19 I20 Y27 W60 L63 L64 P151Y19-L23 HydrophobicContact CD1-CD1 4.11Å; Y19-L23 HydrophobicContact CD1-CG 4.46Å; Y19-L23 HydrophobicContact CD2-CG 4.46Å; Y19-L23 HydrophobicContact CE1-CD1 3.47Å; Y19-L23 VanDerWaalsContact CE1-CD1 3.47Å; Y19-L23 HydrophobicContact CE1-CG 4.04Å; Y19-L23 HydrophobicContact CE2-CD1 4.33Å; Y19-L23 HydrophobicContact CE2-CD2 3.97Å; Y19-L23 HydrophobicContact CE2-CG 4.04Å; Y19-L23 WeakPolarHBondContact O-CG 2.81Å; Y19-L23 PolarHBondContact O-N 3.18Å; I20-L23 PolarHBondContact O-N 3.36Å; I20-L23 VanDerWaalsContact O-N 3.13Å; L23-Y27 VanDerWaalsContact O-CB 3.29Å; L23-Y27 WeakPolarHBondContact O-CB 3.47Å; L23-Y27 PolarHBondContact O-N 3.08Å; L23-W60 HydrophobicContact CD2-CD2 4.2Å; L23-W60 VanDerWaalsContact CD2-CE2 3.5Å; L23-W60 HydrophobicContact CD2-CH2 3.86Å; L23-W60 HydrophobicContact CD2-CZ2 3.31Å; L23-W60 HydrophobicContact CD2-CZ3 4.5Å; L23-W60 HydrophobicContact CG-CZ2 4.47Å; L23-W60 PolarHBondContact O-NE1 3.18Å; L23-L63 HydrophobicContact CD1-CB 4.18Å; L23-L64 HydrophobicContact CB-CB 4.13Å; L23-L64 HydrophobicContact CB-CD1 3.84Å; L23-L64 HydrophobicContact CB-CG 4.49Å; L23-L64 HydrophobicContact CD1-CB 4.31Å; L23-P151 HydrophobicContact CD2-CG 4.45Å
24Q94.2Very high89.2Confident49 Ų4956.9 Ų56.923%0.22928%0.278CS..Hα-helixtrans-62.9-50.8176.7-174.669.466.700111.4I20 N21 L22 V26 Y27 D28 L64I20-Q24 WeakPolarHBondContact O-CB 3.32Å; I20-Q24 PolarHBondContact O-N 2.72Å; N21-Q24 PolarHBondContact O-N 3.22Å; L22-Q24 VanDerWaalsContact C-N 3.27Å; L22-Q24 PolarHBondContact O-N 3.39Å; Q24-V26 VanDerWaalsContact C-N 3.31Å; Q24-V26 PolarHBondContact O-N 3.42Å; Q24-Y27 WeakPolarHBondContact O-CB 2.99Å; Q24-Y27 PolarHBondContact O-N 3.43Å; Q24-Y27 VanDerWaalsContact O-N 3.13Å; Q24-D28 WeakPolarHBondContact CG-OD2 3.28Å; Q24-D28 VanDerWaalsContact NE2-CG 3.27Å; Q24-D28 PolarHBondContact NE2-OD1 3.42Å; Q24-D28 PolarHBondContact NE2-OD2 2.99Å; Q24-D28 WeakPolarHBondContact O-CB 2.99Å; Q24-D28 VanDerWaalsContact O-CG 3.23Å; Q24-D28 PolarHBondContact O-N 2.71Å; Q24-L64 HydrophobicContact CB-CD1 4.14Å; Q24-L64 HydrophobicContact CB-CD2 4.42Å
25D90.8Very high87.6Confident68 Ų6855 Ų5536%0.36427%0.267SS..Hα-helixtrans-57-43.9178.6173.762.7000112N21 L22 K29N21-D25 WeakPolarHBondContact O-CB 3.45Å; N21-D25 PolarHBondContact O-N 3.29Å; L22-D25 PolarHBondContact O-N 2.84Å; D25-K29 VanDerWaalsContact CG-NZ 3.25Å; D25-K29 VanDerWaalsContact O-CB 3.32Å; D25-K29 WeakPolarHBondContact O-CB 3.09Å; D25-K29 VanDerWaalsContact O-CG 3.24Å; D25-K29 WeakPolarHBondContact O-CG 3.47Å; D25-K29 PolarHBondContact O-N 3.21Å; D25-K29 WeakPolarHBondContact OD1-CE 3.38Å; D25-K29 IonicContact OD1-NZ 3Å; D25-K29 PolarHBondContact OD1-NZ 3.32Å; D25-K29 IonicContact OD2-NZ 2.72Å; D25-K29 PolarHBondContact OD2-NZ 3.04Å
26V88.7Confident85.8Confident8 Ų853.6 Ų53.65%0.04826%0.258CS..Hα-helixtrans-66.5-44176.5173.10000111.6L22 Q24 K29 V30 W60 F144 Q147L22-V26 WeakPolarHBondContact O-CG2 2.98Å; L22-V26 PolarHBondContact O-N 3.07Å; Q24-V26 VanDerWaalsContact C-N 3.31Å; Q24-V26 PolarHBondContact O-N 3.42Å; V26-K29 PolarHBondContact O-N 3.1Å; V26-V30 WeakPolarHBondContact O-CG2 3.36Å; V26-V30 PolarHBondContact O-N 3.43Å; V26-W60 HydrophobicContact CB-CH2 4.33Å; V26-W60 HydrophobicContact CB-CZ2 3.45Å; V26-W60 VanDerWaalsContact CB-CZ2 3.45Å; V26-W60 HydrophobicContact CG1-CD2 4.42Å; V26-W60 HydrophobicContact CG1-CH2 3.94Å; V26-W60 HydrophobicContact CG1-CZ2 3.38Å; V26-W60 HydrophobicContact CG2-CH2 4.44Å; V26-W60 HydrophobicContact CG2-CZ2 3.87Å; V26-F144 HydrophobicContact CG1-CD2 3.47Å; V26-F144 VanDerWaalsContact CG1-CD2 3.47Å; V26-F144 HydrophobicContact CG1-CE2 3.66Å; V26-Q147 HydrophobicContact CG2-CB 4.19Å; V26-Q147 HydrophobicContact CG2-CG 3.85Å
27Y89.6Confident84Confident50 Ų5057.3 Ų57.320%0.19628%0.278CS..Hα-helixtrans-60.1-47.8178.2179-93.6000111L23 Q24 V30 M31 L57 F61 L64L23-Y27 VanDerWaalsContact O-CB 3.29Å; L23-Y27 WeakPolarHBondContact O-CB 3.47Å; L23-Y27 PolarHBondContact O-N 3.08Å; Q24-Y27 WeakPolarHBondContact O-CB 2.99Å; Q24-Y27 PolarHBondContact O-N 3.43Å; Q24-Y27 VanDerWaalsContact O-N 3.13Å; Y27-V30 PolarHBondContact O-N 3.39Å; Y27-M31 HydrophobicContact CD1-CG 4.23Å; Y27-M31 HydrophobicContact CD2-CG 4.32Å; Y27-M31 HydrophobicContact CE1-CB 4.43Å; Y27-M31 HydrophobicContact CE1-CG 3.81Å; Y27-M31 HydrophobicContact CE2-CE 3.8Å; Y27-M31 HydrophobicContact CE2-CG 3.91Å; Y27-M31 HydrophobicContact CG-CG 4.48Å; Y27-M31 WeakPolarHBondContact O-CB 3.47Å; Y27-M31 WeakPolarHBondContact O-CG 3.43Å; Y27-M31 PolarHBondContact O-N 3.01Å; Y27-L57 HydrophobicContact CD2-CD1 3.84Å; Y27-L57 HydrophobicContact CE2-CD1 3.91Å; Y27-F61 HydrophobicContact CD2-CB 4.43Å; Y27-F61 HydrophobicContact CD2-CD2 4.47Å; Y27-F61 HydrophobicContact CE2-CB 3.93Å; Y27-F61 AromaticContact CE2-CD2 3.77Å; Y27-F61 HydrophobicContact CE2-CD2 3.77Å; Y27-F61 HydrophobicContact CE2-CG 4.27Å; Y27-F61 AromaticContact CZ-CD2 3.83Å; Y27-L64 HydrophobicContact CG-CD2 4.33Å
28D88.6Confident81.8Confident57 Ų5760.9 Ų60.931%0.30529%0.287SS..Hα-helixtrans-65.5-43.3-179.7-66.4-22.2000110.9Q24 V30 M31 L32Q24-D28 WeakPolarHBondContact CG-OD2 3.28Å; Q24-D28 VanDerWaalsContact NE2-CG 3.27Å; Q24-D28 PolarHBondContact NE2-OD1 3.42Å; Q24-D28 PolarHBondContact NE2-OD2 2.99Å; Q24-D28 WeakPolarHBondContact O-CB 2.99Å; Q24-D28 VanDerWaalsContact O-CG 3.23Å; Q24-D28 PolarHBondContact O-N 2.71Å; D28-V30 PolarHBondContact O-N 3.2Å; D28-M31 PolarHBondContact O-N 3.08Å; D28-L32 HydrophobicContact CB-CD1 4.24Å; D28-L32 WeakPolarHBondContact O-CA 3.28Å; D28-L32 WeakPolarHBondContact O-CB 3.5Å; D28-L32 VanDerWaalsContact O-CG 3.23Å; D28-L32 WeakPolarHBondContact O-CG 3.29Å; D28-L32 PolarHBondContact O-N 3.02Å
29K85.3Confident79.9Confident113 Ų11356 Ų5649%0.49127%0.266SS..Hα-helixtrans-58-48.6174.2-79.3170.4178.5161.30111.6D25 V26 N33D25-K29 VanDerWaalsContact CG-NZ 3.25Å; D25-K29 VanDerWaalsContact O-CB 3.32Å; D25-K29 WeakPolarHBondContact O-CB 3.09Å; D25-K29 VanDerWaalsContact O-CG 3.24Å; D25-K29 WeakPolarHBondContact O-CG 3.47Å; D25-K29 PolarHBondContact O-N 3.21Å; D25-K29 WeakPolarHBondContact OD1-CE 3.38Å; D25-K29 IonicContact OD1-NZ 3Å; D25-K29 PolarHBondContact OD1-NZ 3.32Å; D25-K29 IonicContact OD2-NZ 2.72Å; D25-K29 PolarHBondContact OD2-NZ 3.04Å; V26-K29 PolarHBondContact O-N 3.1Å; K29-N33 WeakPolarHBondContact O-CA 3.26Å; K29-N33 WeakPolarHBondContact O-CB 3.44Å; K29-N33 PolarHBondContact O-N 3.2Å
30V81.6Confident77.7Confident11 Ų1161.8 Ų61.87%0.06729%0.291CS..Hα-helixtrans-67.8-42.8179.8176.10000111.1V26 Y27 D28 K53 L56 L57 F144V26-V30 WeakPolarHBondContact O-CG2 3.36Å; V26-V30 PolarHBondContact O-N 3.43Å; Y27-V30 PolarHBondContact O-N 3.39Å; D28-V30 PolarHBondContact O-N 3.2Å; V30-K53 WeakPolarHBondContact O-CE 3.45Å; V30-K53 PolarHBondContact O-NZ 3.36Å; V30-L56 HydrophobicContact CG1-CD2 3.94Å; V30-L57 HydrophobicContact CB-CD1 4.41Å; V30-L57 HydrophobicContact CB-CD2 3.94Å; V30-L57 HydrophobicContact CB-CG 4.3Å; V30-L57 HydrophobicContact CG1-CD1 4.02Å; V30-L57 HydrophobicContact CG1-CD2 3.97Å; V30-L57 HydrophobicContact CG1-CG 3.81Å; V30-L57 HydrophobicContact CG2-CD2 4.11Å; V30-F144 HydrophobicContact CG2-CB 4.47Å; V30-F144 HydrophobicContact CG2-CD2 3.8Å; V30-F144 HydrophobicContact CG2-CE2 4.17Å; V30-F144 HydrophobicContact CG2-CG 4.07Å
31M81.6Confident75.4Confident46 Ų4665.2 Ų65.223%0.22732%0.316CS..Hα-helixtrans-73.4-33.1-178.1-75.8-57-16500113.8Y27 D28 K53 Q54 L57Y27-M31 HydrophobicContact CD1-CG 4.23Å; Y27-M31 HydrophobicContact CD2-CG 4.32Å; Y27-M31 HydrophobicContact CE1-CB 4.43Å; Y27-M31 HydrophobicContact CE1-CG 3.81Å; Y27-M31 HydrophobicContact CE2-CE 3.8Å; Y27-M31 HydrophobicContact CE2-CG 3.91Å; Y27-M31 HydrophobicContact CG-CG 4.48Å; Y27-M31 WeakPolarHBondContact O-CB 3.47Å; Y27-M31 WeakPolarHBondContact O-CG 3.43Å; Y27-M31 PolarHBondContact O-N 3.01Å; D28-M31 PolarHBondContact O-N 3.08Å; M31-K53 PolarHBondContact O-NZ 2.86Å; M31-K53 HydrophobicContact SD-CB 3.93Å; M31-K53 HydrophobicContact SD-CD 4.13Å; M31-Q54 HydrophobicContact CE-CG 4.3Å; M31-L57 HydrophobicContact CE-CD1 3.49Å; M31-L57 VanDerWaalsContact CE-CD1 3.49Å; M31-L57 HydrophobicContact CG-CD1 4.03Å; M31-L57 HydrophobicContact SD-CD1 4Å
32L79.5Confident73.2Confident130 Ų13063.9 Ų63.968%0.68131%0.311SS*.Hα-helixtrans-94-9.1179.7-57.9174.1000113.2D28 K34D28-L32 HydrophobicContact CB-CD1 4.24Å; D28-L32 WeakPolarHBondContact O-CA 3.28Å; D28-L32 WeakPolarHBondContact O-CB 3.5Å; D28-L32 VanDerWaalsContact O-CG 3.23Å; D28-L32 WeakPolarHBondContact O-CG 3.29Å; D28-L32 PolarHBondContact O-N 3.02Å; L32-K34 PolarHBondContact O-N 2.67Å; L32-K34 VanDerWaalsContact O-N 3.08Å
33N71.3Confident71.2Confident14 Ų1465.1 Ų65.18%0.07533%0.332CS..  trans-60.5116.5176.2171.5-44.9000109.6K29 E35 L36 K53 D140K29-N33 WeakPolarHBondContact O-CA 3.26Å; K29-N33 WeakPolarHBondContact O-CB 3.44Å; K29-N33 PolarHBondContact O-N 3.2Å; N33-E35 PolarHBondContact ND2-OE2 2.95Å; N33-E35 VanDerWaalsContact OD1-CA 3.28Å; N33-E35 WeakPolarHBondContact OD1-CA 3.46Å; N33-E35 WeakPolarHBondContact OD1-CB 3.22Å; N33-E35 WeakPolarHBondContact OD1-CG 3.3Å; N33-E35 PolarHBondContact OD1-N 3.37Å; N33-L36 PolarHBondContact OD1-N 2.88Å; N33-K53 PolarHBondContact O-NZ 3.5Å; N33-D140 WeakPolarHBondContact ND2-CB 3.36Å; N33-D140 PolarHBondContact ND2-OD2 3.27Å
34K65.7Low69.4Low168 Ų16866.3 Ų66.373%0.7334%0.339SS*.SBendtrans-82.2-15.2176.9-62.9-177.6-179.6179.70113.4L32 L36 D37 Y38L32-K34 PolarHBondContact O-N 2.67Å; L32-K34 VanDerWaalsContact O-N 3.08Å; K34-L36 VanDerWaalsContact C-N 3.32Å; K34-D37 WeakPolarHBondContact CA-OD2 3.24Å; K34-D37 WeakPolarHBondContact O-CA 3.23Å; K34-D37 VanDerWaalsContact O-CB 3.28Å; K34-D37 WeakPolarHBondContact O-CB 3.38Å; K34-D37 PolarHBondContact O-N 3.14Å; K34-Y38 PolarHBondContact O-N 2.86Å; K34-Y38 VanDerWaalsContact O-N 3.13Å
35E61.9Low67.7Low42 Ų4265.8 Ų65.820%0.19634%0.339CS..Hα-helixtrans-64.8-41.9178.9-49.4-177.814000111.3N33 D37 Y38 K39 Y137N33-E35 PolarHBondContact ND2-OE2 2.95Å; N33-E35 VanDerWaalsContact OD1-CA 3.28Å; N33-E35 WeakPolarHBondContact OD1-CA 3.46Å; N33-E35 WeakPolarHBondContact OD1-CB 3.22Å; N33-E35 WeakPolarHBondContact OD1-CG 3.3Å; N33-E35 PolarHBondContact OD1-N 3.37Å; E35-D37 PolarHBondContact O-N 2.62Å; E35-Y38 WeakPolarHBondContact O-CB 3.34Å; E35-Y38 PolarHBondContact O-N 2.99Å; E35-K39 PolarHBondContact O-N 3.25Å; E35-Y137 HydrophobicContact CB-CD1 3.79Å; E35-Y137 HydrophobicContact CB-CE1 4.17Å; E35-Y137 HydrophobicContact CG-CD1 3.64Å; E35-Y137 HydrophobicContact CG-CE1 3.93Å; E35-Y137 WeakPolarHBondContact OE1-CA 3.42Å; E35-Y137 VanDerWaalsContact OE1-CD1 3.31Å; E35-Y137 WeakPolarHBondContact OE1-CD1 3.35Å
36L58.6Low66.4Low11 Ų1171 Ų716%0.05836%0.361CS..Hα-helixtrans-59.8-36.9173.1-82.7175.6000108.7N33 K34 Y38 K39 F49 K53 L56 L117N33-L36 PolarHBondContact OD1-N 2.88Å; K34-L36 VanDerWaalsContact C-N 3.32Å; L36-Y38 VanDerWaalsContact C-N 3.31Å; L36-Y38 PolarHBondContact O-N 3.44Å; L36-K39 PolarHBondContact O-N 3Å; L36-F49 HydrophobicContact CB-CE1 4.43Å; L36-F49 HydrophobicContact CB-CE2 3.28Å; L36-F49 HydrophobicContact CB-CZ 3.14Å; L36-F49 HydrophobicContact CG-CE2 4.46Å; L36-F49 HydrophobicContact CG-CZ 4.47Å; L36-F49 WeakPolarHBondContact O-CE2 3.32Å; L36-K53 HydrophobicContact CD1-CG 4.31Å; L36-L56 HydrophobicContact CD1-CD2 4.19Å; L36-L117 HydrophobicContact CD2-CD1 4.49Å
37D57.5Low65.3Low77 Ų7771.9 Ų71.941%0.41237%0.365SS..Hα-helixtrans-64.8-37.5177.9-71.7-65.6000111.1K34 E35 K39 K40 F49 K53K34-D37 WeakPolarHBondContact CA-OD2 3.24Å; K34-D37 WeakPolarHBondContact O-CA 3.23Å; K34-D37 VanDerWaalsContact O-CB 3.28Å; K34-D37 WeakPolarHBondContact O-CB 3.38Å; K34-D37 PolarHBondContact O-N 3.14Å; E35-D37 PolarHBondContact O-N 2.62Å; D37-K39 VanDerWaalsContact C-N 3.29Å; D37-K39 PolarHBondContact O-N 3.49Å; D37-K40 WeakPolarHBondContact O-CB 3.1Å; D37-K40 PolarHBondContact O-N 3.17Å; D37-F49 HydrophobicContact CB-CE1 4.2Å; D37-F49 HydrophobicContact CB-CZ 4.19Å; D37-F49 WeakPolarHBondContact OD1-CD1 3.42Å; D37-F49 WeakPolarHBondContact OD1-CE1 3.44Å; D37-K53 IonicContact OD2-NZ 3.94Å
38Y50.3Low64.2Low144 Ų14472.4 Ų72.457%0.56538%0.375SS*.Hα-helixtrans-66.3-29-179.8-141.7-96000112.9K34 E35 L36 K40 S41K34-Y38 PolarHBondContact O-N 2.86Å; K34-Y38 VanDerWaalsContact O-N 3.13Å; E35-Y38 WeakPolarHBondContact O-CB 3.34Å; E35-Y38 PolarHBondContact O-N 2.99Å; L36-Y38 VanDerWaalsContact C-N 3.31Å; L36-Y38 PolarHBondContact O-N 3.44Å; Y38-K40 PolarHBondContact O-N 3.17Å; Y38-K40 VanDerWaalsContact O-N 3.16Å; Y38-S41 WeakPolarHBondContact O-CB 3.19Å; Y38-S41 PolarHBondContact O-N 2.9Å; Y38-S41 PolarHBondContact O-OG 3.22Å
39K55.6Low63.2Low39 Ų3971 Ų7117%0.1737%0.366CS..G310 helixtrans-64.9-16.3178.2-72.2-176.6-179.9176.90113.5E35 L36 D37 S41 V42 I44 L117E35-K39 PolarHBondContact O-N 3.25Å; L36-K39 PolarHBondContact O-N 3Å; D37-K39 VanDerWaalsContact C-N 3.29Å; D37-K39 PolarHBondContact O-N 3.49Å; K39-S41 VanDerWaalsContact C-N 3.27Å; K39-S41 PolarHBondContact O-N 3.34Å; K39-V42 PolarHBondContact O-N 2.93Å; K39-I44 HydrophobicContact CB-CD1 4.34Å; K39-L117 PolarHBondContact NZ-O 3.26Å
40K51.5Low62.6Low136 Ų13669.7 Ų69.759%0.59137%0.368SS*.G310 helixtrans-64.4-30.6169.3-135.1-176.5-173-170.20112.4D37 Y38 V42 G43D37-K40 WeakPolarHBondContact O-CB 3.1Å; D37-K40 PolarHBondContact O-N 3.17Å; Y38-K40 PolarHBondContact O-N 3.17Å; Y38-K40 VanDerWaalsContact O-N 3.16Å; K40-V42 PolarHBondContact O-N 3.45Å; K40-G43 PolarHBondContact O-N 3.42Å
41S48.1Very low62.2Low80 Ų8073.7 Ų73.756%0.55939%0.385SS*.G310 helixtrans-66.5-15.317669.40000113.5Y38 K39Y38-S41 WeakPolarHBondContact O-CB 3.19Å; Y38-S41 PolarHBondContact O-N 2.9Å; Y38-S41 PolarHBondContact O-OG 3.22Å; K39-S41 VanDerWaalsContact C-N 3.27Å; K39-S41 PolarHBondContact O-N 3.34Å
42V49.3Very low61.8Low62 Ų6272.1 Ų72.138%0.37638%0.378SS..G310 helixtrans-1026.8-176.9-168.60000112.2K39 K40 I44K39-V42 PolarHBondContact O-N 2.93Å; K40-V42 PolarHBondContact O-N 3.45Å; V42-I44 HydrophobicContact CB-CD1 3.98Å; V42-I44 HydrophobicContact CB-CG1 4.17Å; V42-I44 HydrophobicContact CG1-CD1 4.15Å; V42-I44 HydrophobicContact CG1-CG1 4.23Å; V42-I44 PolarHBondContact O-N 3Å
43G51.9Low61.8Low62 Ų6266.3 Ų66.364%0.63935%0.347SS*.THydrogen-bonded Turntrans67.328.3169.200000115.4K40K40-G43 PolarHBondContact O-N 3.42Å
44I55.1Low62.2Low26 Ų2670.6 Ų70.613%0.13337%0.367CS..  trans-81.3-15.2-171-58.1163.3000113.2K39 V42 V120 D265 L266K39-I44 HydrophobicContact CB-CD1 4.34Å; V42-I44 HydrophobicContact CB-CD1 3.98Å; V42-I44 HydrophobicContact CB-CG1 4.17Å; V42-I44 HydrophobicContact CG1-CD1 4.15Å; V42-I44 HydrophobicContact CG1-CG1 4.23Å; V42-I44 PolarHBondContact O-N 3Å; I44-V120 HydrophobicContact CD1-CG1 3.79Å; I44-V120 HydrophobicContact CG1-CG1 4.37Å; I44-V120 HydrophobicContact CG2-CG1 4.25Å; I44-D265 VanDerWaalsContact O-OD1 3.12Å; I44-L266 HydrophobicContact CG2-CB 4.28Å; I44-L266 VanDerWaalsContact O-CB 3.29Å; I44-L266 WeakPolarHBondContact O-CB 3.29Å; I44-L266 PolarHBondContact O-N 2.86Å
45T59.9Low62.8Low37 Ų3766.5 Ų66.523%0.22735%0.349CS..  trans-161.4142.4-168.4104.70000112.3I47 L266T45-I47 PolarHBondContact OG1-N 3.48Å; T45-I47 PolarHBondContact OG1-O 3.23Å; T45-L266 HydrophobicContact CG2-CB 3.74Å; T45-L266 HydrophobicContact CG2-CD2 3.21Å; T45-L266 HydrophobicContact CG2-CG 4.05Å
46Q63.2Low63.6Low179 Ų17964.7 Ų64.784%0.83634%0.34SS*.SBendtrans-83.3-15.8164.4-58.9-174.9-0.200113.2D267Q46-D267 VanDerWaalsContact CB-OD2 3.25Å; Q46-D267 WeakPolarHBondContact CB-OD2 3.31Å; Q46-D267 WeakPolarHBondContact CG-OD2 3.31Å; Q46-D267 PolarHBondContact N-OD2 2.89Å
47I65.2Low64.8Low25 Ų2564.5 Ų64.513%0.12834%0.34CS..SBendtrans-62.6129.6-177.9-70.8163.6000111.6T45 F49 Q51 L52 D267 L270T45-I47 PolarHBondContact OG1-N 3.48Å; T45-I47 PolarHBondContact OG1-O 3.23Å; I47-F49 PolarHBondContact O-N 3.37Å; I47-Q51 HydrophobicContact CG2-CB 3.69Å; I47-L52 HydrophobicContact CG2-CB 4.42Å; I47-D267 WeakPolarHBondContact CD1-OD1 3.43Å; I47-D267 WeakPolarHBondContact CG1-OD1 3.12Å; I47-L270 HydrophobicContact CD1-CD1 3.23Å
48P66.4Low66.1Low62 Ų6261.9 Ų61.940%0.40333%0.33SS..  trans-53.2135.4170.5-26.733.6000111.5T50 Q51 L52P48-T50 VanDerWaalsContact C-N 3.28Å; P48-T50 PolarHBondContact O-N 3.49Å; P48-Q51 HydrophobicContact CB-CG 4.19Å; P48-Q51 HydrophobicContact CG-CG 4.48Å; P48-Q51 WeakPolarHBondContact O-CA 3.38Å; P48-Q51 VanDerWaalsContact O-CB 3.27Å; P48-Q51 WeakPolarHBondContact O-CB 3.47Å; P48-Q51 PolarHBondContact O-N 3.02Å; P48-L52 PolarHBondContact O-N 2.98Å; P48-L52 VanDerWaalsContact O-N 3.14Å
49F67.7Low68Low26 Ų2655 Ų5511%0.11430%0.304CS..Hα-helixtrans-57.4-38.8-172.5-176.6-112.7000114.9L36 D37 I47 Q51 L52 K53L36-F49 HydrophobicContact CB-CE1 4.43Å; L36-F49 HydrophobicContact CB-CE2 3.28Å; L36-F49 HydrophobicContact CB-CZ 3.14Å; L36-F49 HydrophobicContact CG-CE2 4.46Å; L36-F49 HydrophobicContact CG-CZ 4.47Å; L36-F49 WeakPolarHBondContact O-CE2 3.32Å; D37-F49 HydrophobicContact CB-CE1 4.2Å; D37-F49 HydrophobicContact CB-CZ 4.19Å; D37-F49 WeakPolarHBondContact OD1-CD1 3.42Å; D37-F49 WeakPolarHBondContact OD1-CE1 3.44Å; I47-F49 PolarHBondContact O-N 3.37Å; F49-Q51 PolarHBondContact O-N 2.98Å; F49-L52 PolarHBondContact O-N 2.99Å; F49-L52 VanDerWaalsContact O-N 3.12Å; F49-K53 HydrophobicContact CD1-CD 3.94Å; F49-K53 HydrophobicContact CD1-CG 4.48Å; F49-K53 HydrophobicContact CE1-CD 3.42Å; F49-K53 VanDerWaalsContact CE1-CD 3.42Å; F49-K53 HydrophobicContact CE1-CG 4.11Å; F49-K53 HydrophobicContact CE2-CG 4.44Å; F49-K53 HydrophobicContact CZ-CD 3.8Å; F49-K53 HydrophobicContact CZ-CG 4.1Å; F49-K53 PolarHBondContact O-N 3.29Å
50T72.2Confident69.7Low87 Ų8753.2 Ų53.253%0.53430%0.296SS..Hα-helixtrans-56.3-39.6172.6-48.60000111.6P48 Q54P48-T50 VanDerWaalsContact C-N 3.28Å; P48-T50 PolarHBondContact O-N 3.49Å; T50-Q54 WeakPolarHBondContact O-CB 3.46Å; T50-Q54 WeakPolarHBondContact O-CG 3.29Å; T50-Q54 PolarHBondContact O-N 3.35Å
51Q73.6Confident71.6Confident94 Ų9451.6 Ų51.644%0.43929%0.289SS..Hα-helixtrans-71-37.3177-63.4179.81.700111.8I47 P48 F49 Q54 K55I47-Q51 HydrophobicContact CG2-CB 3.69Å; P48-Q51 HydrophobicContact CB-CG 4.19Å; P48-Q51 HydrophobicContact CG-CG 4.48Å; P48-Q51 WeakPolarHBondContact O-CA 3.38Å; P48-Q51 VanDerWaalsContact O-CB 3.27Å; P48-Q51 WeakPolarHBondContact O-CB 3.47Å; P48-Q51 PolarHBondContact O-N 3.02Å; F49-Q51 PolarHBondContact O-N 2.98Å; Q51-Q54 PolarHBondContact O-N 3.16Å; Q51-K55 WeakPolarHBondContact O-CB 3.11Å; Q51-K55 WeakPolarHBondContact O-CG 3.42Å; Q51-K55 PolarHBondContact O-N 2.88Å
52L74.2Confident73.7Confident13 Ų1350.1 Ų50.17%0.06827%0.273CS..Hα-helixtrans-63.1-45.1174.7-179.759.1000111.3I47 P48 F49 Q54 K55 L56 L113 L266I47-L52 HydrophobicContact CG2-CB 4.42Å; P48-L52 PolarHBondContact O-N 2.98Å; P48-L52 VanDerWaalsContact O-N 3.14Å; F49-L52 PolarHBondContact O-N 2.99Å; F49-L52 VanDerWaalsContact O-N 3.12Å; L52-Q54 VanDerWaalsContact C-N 3.35Å; L52-K55 PolarHBondContact O-N 3.23Å; L52-L56 WeakPolarHBondContact O-CB 3.4Å; L52-L56 PolarHBondContact O-N 3.33Å; L52-L113 HydrophobicContact CD1-CD1 4.41Å; L52-L113 HydrophobicContact CD1-CD2 4.2Å; L52-L266 HydrophobicContact CD1-CD2 3.72Å; L52-L266 HydrophobicContact CD2-CD2 4.03Å
53K78.4Confident75.9Confident9 Ų947.2 Ų47.24%0.03926%0.255CS..Hα-helixtrans-60.6-42.8174.5-77.4-179.2160.9175.30112V30 M31 N33 L36 D37 F49 L56 L57V30-K53 WeakPolarHBondContact O-CE 3.45Å; V30-K53 PolarHBondContact O-NZ 3.36Å; M31-K53 PolarHBondContact O-NZ 2.86Å; M31-K53 HydrophobicContact SD-CB 3.93Å; M31-K53 HydrophobicContact SD-CD 4.13Å; N33-K53 PolarHBondContact O-NZ 3.5Å; L36-K53 HydrophobicContact CD1-CG 4.31Å; D37-K53 IonicContact OD2-NZ 3.94Å; F49-K53 HydrophobicContact CD1-CD 3.94Å; F49-K53 HydrophobicContact CD1-CG 4.48Å; F49-K53 HydrophobicContact CE1-CD 3.42Å; F49-K53 VanDerWaalsContact CE1-CD 3.42Å; F49-K53 HydrophobicContact CE1-CG 4.11Å; F49-K53 HydrophobicContact CE2-CG 4.44Å; F49-K53 HydrophobicContact CZ-CD 3.8Å; F49-K53 HydrophobicContact CZ-CG 4.1Å; F49-K53 PolarHBondContact O-N 3.29Å; K53-L56 WeakPolarHBondContact O-CB 3.33Å; K53-L56 PolarHBondContact O-N 3.26Å; K53-L57 WeakPolarHBondContact O-CB 3.24Å; K53-L57 WeakPolarHBondContact O-CG 3.22Å; K53-L57 PolarHBondContact O-N 3.49Å
54Q79.7Confident77.9Confident103 Ų10344.5 Ų44.548%0.48123%0.227SC..Hα-helixtrans-61.8-46.3174.1-74.8168.9-9.100112M31 T50 Q51 L52 L56 L57 G58M31-Q54 HydrophobicContact CE-CG 4.3Å; T50-Q54 WeakPolarHBondContact O-CB 3.46Å; T50-Q54 WeakPolarHBondContact O-CG 3.29Å; T50-Q54 PolarHBondContact O-N 3.35Å; Q51-Q54 PolarHBondContact O-N 3.16Å; L52-Q54 VanDerWaalsContact C-N 3.35Å; Q54-L56 VanDerWaalsContact C-N 3.3Å; Q54-L56 PolarHBondContact O-N 3.04Å; Q54-L57 PolarHBondContact O-N 3Å; Q54-G58 PolarHBondContact O-N 3.49Å
55K78.7Confident79.8Confident82 Ų8244.6 Ų44.636%0.35723%0.229SC..Hα-helixtrans-60.8-38.6175.5-76.8-167.1176.4-1590112.2Q51 L52 G58 L113 L270 D274Q51-K55 WeakPolarHBondContact O-CB 3.11Å; Q51-K55 WeakPolarHBondContact O-CG 3.42Å; Q51-K55 PolarHBondContact O-N 2.88Å; L52-K55 PolarHBondContact O-N 3.23Å; K55-G58 PolarHBondContact O-N 3.43Å; K55-L113 HydrophobicContact CB-CD2 4.31Å; K55-L270 HydrophobicContact CD-CD1 4.17Å; K55-L270 HydrophobicContact CD-CD2 4.25Å; K55-D274 IonicContact NZ-OD2 3.62Å
56L79.5Confident81.6Confident4 Ų443.3 Ų43.32%0.02122%0.221CC..Hα-helixtrans-64.5-45176-175.366.2000111.2V30 L36 L52 K53 Q54 G58 T110 L113 C114 L117 F144V30-L56 HydrophobicContact CG1-CD2 3.94Å; L36-L56 HydrophobicContact CD1-CD2 4.19Å; L52-L56 WeakPolarHBondContact O-CB 3.4Å; L52-L56 PolarHBondContact O-N 3.33Å; K53-L56 WeakPolarHBondContact O-CB 3.33Å; K53-L56 PolarHBondContact O-N 3.26Å; Q54-L56 VanDerWaalsContact C-N 3.3Å; Q54-L56 PolarHBondContact O-N 3.04Å; L56-G58 VanDerWaalsContact C-N 3.25Å; L56-G58 PolarHBondContact O-N 3Å; L56-T110 HydrophobicContact CD1-CG2 4.37Å; L56-T110 WeakPolarHBondContact O-CG2 3.45Å; L56-T110 PolarHBondContact O-OG1 2.88Å; L56-L113 HydrophobicContact CB-CD2 4.3Å; L56-L113 HydrophobicContact CD1-CD2 4.26Å; L56-L113 HydrophobicContact CD1-CG 4.34Å; L56-C114 VanDerWaalsContact CD1-SG 3.52Å; L56-L117 HydrophobicContact CD1-CD1 4.35Å; L56-F144 HydrophobicContact CD1-CD1 4.09Å; L56-F144 HydrophobicContact CD1-CE1 3.83Å; L56-F144 HydrophobicContact CD2-CD1 4.32Å; L56-F144 HydrophobicContact CD2-CE1 4.36Å; L56-F144 HydrophobicContact CG-CD1 4.03Å; L56-F144 HydrophobicContact CG-CE1 3.64Å; L56-F144 HydrophobicContact CG-CZ 4.46Å; L56-F144 WeakPolarHBondContact O-CE1 3.46Å; L56-F144 WeakPolarHBondContact O-CZ 3.33Å
57L84Confident83.2Confident8 Ų834.8 Ų34.84%0.04218%0.181CC..Hα-helixtrans-70.4-21177.5-73.5167.4000112.9Y27 V30 M31 K53 Q54 N59 W60 F144Y27-L57 HydrophobicContact CD2-CD1 3.84Å; Y27-L57 HydrophobicContact CE2-CD1 3.91Å; V30-L57 HydrophobicContact CB-CD1 4.41Å; V30-L57 HydrophobicContact CB-CD2 3.94Å; V30-L57 HydrophobicContact CB-CG 4.3Å; V30-L57 HydrophobicContact CG1-CD1 4.02Å; V30-L57 HydrophobicContact CG1-CD2 3.97Å; V30-L57 HydrophobicContact CG1-CG 3.81Å; V30-L57 HydrophobicContact CG2-CD2 4.11Å; M31-L57 HydrophobicContact CE-CD1 3.49Å; M31-L57 VanDerWaalsContact CE-CD1 3.49Å; M31-L57 HydrophobicContact CG-CD1 4.03Å; M31-L57 HydrophobicContact SD-CD1 4Å; K53-L57 WeakPolarHBondContact O-CB 3.24Å; K53-L57 WeakPolarHBondContact O-CG 3.22Å; K53-L57 PolarHBondContact O-N 3.49Å; Q54-L57 PolarHBondContact O-N 3Å; L57-N59 PolarHBondContact O-N 3.44Å; L57-N59 VanDerWaalsContact O-N 3.16Å; L57-W60 HydrophobicContact CB-CB 3.98Å; L57-W60 HydrophobicContact CD2-CB 3.91Å; L57-W60 HydrophobicContact CD2-CG 3.96Å; L57-W60 WeakPolarHBondContact O-CB 3.46Å; L57-W60 PolarHBondContact O-N 2.93Å; L57-F144 HydrophobicContact CD2-CE2 4.04Å; L57-F144 HydrophobicContact CD2-CZ 4.17Å
58G84Confident84.7Confident21 Ų2138.8 Ų38.822%0.21620%0.197CC..THydrogen-bonded Turntrans58.7-120.6-173.900000109.3Q54 K55 L56Q54-G58 PolarHBondContact O-N 3.49Å; K55-G58 PolarHBondContact O-N 3.43Å; L56-G58 VanDerWaalsContact C-N 3.25Å; L56-G58 PolarHBondContact O-N 3Å
59N89.7Confident86Confident1 Ų140.8 Ų40.81%0.00520%0.203CC..THydrogen-bonded Turntrans-104.730.5174.271.8-36.6000114.5L57 F61 E62 L63 L99 M102 Y103 F106L57-N59 PolarHBondContact O-N 3.44Å; L57-N59 VanDerWaalsContact O-N 3.16Å; N59-F61 VanDerWaalsContact C-N 3.26Å; N59-F61 PolarHBondContact O-N 2.85Å; N59-E62 WeakPolarHBondContact CA-OE2 3.41Å; N59-E62 HydrophobicContact CB-CB 4.35Å; N59-E62 PolarHBondContact O-N 2.89Å; N59-L63 PolarHBondContact O-N 3.45Å; N59-L63 VanDerWaalsContact O-N 3.08Å; N59-L99 PolarHBondContact ND2-O 3.44Å; N59-L99 VanDerWaalsContact ND2-O 3.12Å; N59-M102 HydrophobicContact CB-CE 3.51Å; N59-M102 HydrophobicContact CB-CG 4.47Å; N59-M102 WeakPolarHBondContact ND2-CE 3.42Å; N59-Y103 PolarHBondContact ND2-N 3.16Å; N59-Y103 WeakPolarHBondContact OD1-CA 3.43Å; N59-Y103 WeakPolarHBondContact OD1-CB 3.25Å; N59-Y103 VanDerWaalsContact OD1-CD2 3.27Å; N59-Y103 WeakPolarHBondContact OD1-CD2 3.41Å; N59-F106 HydrophobicContact CB-CD2 3.99Å; N59-F106 HydrophobicContact CB-CE2 4.21Å
60W90.9Very high87.3Confident0 Ų041.9 Ų41.90%021%0.209CC..Hα-helixtrans-59.7-36.5179.5-167.3-83.7000113.1L23 V26 L57 E62 L63 L64 Y103 F144 Q147 L148 P151L23-W60 HydrophobicContact CD2-CD2 4.2Å; L23-W60 VanDerWaalsContact CD2-CE2 3.5Å; L23-W60 HydrophobicContact CD2-CH2 3.86Å; L23-W60 HydrophobicContact CD2-CZ2 3.31Å; L23-W60 HydrophobicContact CD2-CZ3 4.5Å; L23-W60 HydrophobicContact CG-CZ2 4.47Å; L23-W60 PolarHBondContact O-NE1 3.18Å; V26-W60 HydrophobicContact CB-CH2 4.33Å; V26-W60 HydrophobicContact CB-CZ2 3.45Å; V26-W60 VanDerWaalsContact CB-CZ2 3.45Å; V26-W60 HydrophobicContact CG1-CD2 4.42Å; V26-W60 HydrophobicContact CG1-CH2 3.94Å; V26-W60 HydrophobicContact CG1-CZ2 3.38Å; V26-W60 HydrophobicContact CG2-CH2 4.44Å; V26-W60 HydrophobicContact CG2-CZ2 3.87Å; L57-W60 HydrophobicContact CB-CB 3.98Å; L57-W60 HydrophobicContact CD2-CB 3.91Å; L57-W60 HydrophobicContact CD2-CG 3.96Å; L57-W60 WeakPolarHBondContact O-CB 3.46Å; L57-W60 PolarHBondContact O-N 2.93Å; W60-E62 VanDerWaalsContact C-N 3.33Å; W60-L63 WeakPolarHBondContact O-CB 3.45Å; W60-L63 PolarHBondContact O-N 3.48Å; W60-L64 PolarHBondContact O-N 3.13Å; W60-Y103 HydrophobicContact CE3-CE2 4.21Å; W60-Y103 HydrophobicContact CZ3-CE2 4.48Å; W60-F144 HydrophobicContact CE3-CE2 4.25Å; W60-F144 HydrophobicContact CZ3-CE2 4.34Å; W60-Q147 HydrophobicContact CH2-CB 4.2Å; W60-L148 HydrophobicContact CZ3-CD2 4.5Å; W60-P151 HydrophobicContact CH2-CG 4.37Å; W60-P151 HydrophobicContact CZ3-CG 4.01Å
61F91.5Very high88.4Confident102 Ų10237.8 Ų37.845%0.44718%0.184SC..Hα-helixtrans-65.2-39.9179176.6-101.7000111.5Y27 N59 L64 S65Y27-F61 HydrophobicContact CD2-CB 4.43Å; Y27-F61 HydrophobicContact CD2-CD2 4.47Å; Y27-F61 HydrophobicContact CE2-CB 3.93Å; Y27-F61 AromaticContact CE2-CD2 3.77Å; Y27-F61 HydrophobicContact CE2-CD2 3.77Å; Y27-F61 HydrophobicContact CE2-CG 4.27Å; Y27-F61 AromaticContact CZ-CD2 3.83Å; N59-F61 VanDerWaalsContact C-N 3.26Å; N59-F61 PolarHBondContact O-N 2.85Å; F61-L64 PolarHBondContact O-N 2.7Å; F61-S65 WeakPolarHBondContact CE1-OG 3.4Å; F61-S65 WeakPolarHBondContact CZ-OG 3.29Å; F61-S65 VanDerWaalsContact O-CB 3.29Å; F61-S65 WeakPolarHBondContact O-CB 3.37Å; F61-S65 PolarHBondContact O-N 3.42Å; F61-S65 PolarHBondContact O-OG 3.27Å
62E92.7Very high89.5Confident50 Ų5034 Ų3423%0.23417%0.166CC..Hα-helixtrans-66.7-39.9176.6-65.184.3161.500110.6N59 W60 F66 L99N59-E62 WeakPolarHBondContact CA-OE2 3.41Å; N59-E62 HydrophobicContact CB-CB 4.35Å; N59-E62 PolarHBondContact O-N 2.89Å; W60-E62 VanDerWaalsContact C-N 3.33Å; E62-F66 WeakPolarHBondContact O-CB 3.33Å; E62-F66 PolarHBondContact O-N 2.83Å; E62-L99 HydrophobicContact CB-CD1 3.76Å
63L94.6Very high90.5Very high0 Ų035.8 Ų35.80%018%0.179CC..Hα-helixtrans-58.2-52.1170.4-76.9171.5000111.4L23 N59 W60 S65 F66 H67 L99 Y100 Y103 P151L23-L63 HydrophobicContact CD1-CB 4.18Å; N59-L63 PolarHBondContact O-N 3.45Å; N59-L63 VanDerWaalsContact O-N 3.08Å; W60-L63 WeakPolarHBondContact O-CB 3.45Å; W60-L63 PolarHBondContact O-N 3.48Å; L63-S65 PolarHBondContact O-N 3.36Å; L63-F66 PolarHBondContact O-N 3.34Å; L63-H67 WeakPolarHBondContact O-CB 3.45Å; L63-H67 PolarHBondContact O-CD2 2.92Å; L63-H67 PolarHBondContact O-N 2.94Å; L63-L99 HydrophobicContact CD2-CD1 4.34Å; L63-L99 HydrophobicContact CD2-CD2 3.8Å; L63-L99 HydrophobicContact CD2-CG 3.79Å; L63-L99 HydrophobicContact CG-CD1 4.45Å; L63-L99 HydrophobicContact CG-CG 4.43Å; L63-Y100 HydrophobicContact CD2-CD1 4.47Å; L63-Y100 HydrophobicContact CD2-CD2 4.36Å; L63-Y100 HydrophobicContact CD2-CE1 4.03Å; L63-Y100 HydrophobicContact CD2-CE2 3.93Å; L63-Y103 HydrophobicContact CD1-CD2 3.25Å; L63-Y103 HydrophobicContact CD1-CE2 3.63Å; L63-Y103 HydrophobicContact CD1-CG 3.78Å; L63-Y103 HydrophobicContact CG-CD2 4.36Å; L63-P151 HydrophobicContact CD1-CB 3.84Å; L63-P151 HydrophobicContact CD1-CG 3.85Å
64L95.6Very high91.3Very high6 Ų635.6 Ų35.63%0.03118%0.179CC..Hα-helixtrans-58.2-51.1179.7171.958.4000111.2I20 L23 Q24 Y27 W60 F61 H67 K68I20-L64 HydrophobicContact CG2-CD1 4.08Å; L23-L64 HydrophobicContact CB-CB 4.13Å; L23-L64 HydrophobicContact CB-CD1 3.84Å; L23-L64 HydrophobicContact CB-CG 4.49Å; L23-L64 HydrophobicContact CD1-CB 4.31Å; Q24-L64 HydrophobicContact CB-CD1 4.14Å; Q24-L64 HydrophobicContact CB-CD2 4.42Å; Y27-L64 HydrophobicContact CG-CD2 4.33Å; W60-L64 PolarHBondContact O-N 3.13Å; F61-L64 PolarHBondContact O-N 2.7Å; L64-H67 PolarHBondContact O-N 3.34Å; L64-K68 WeakPolarHBondContact O-CB 3.42Å; L64-K68 PolarHBondContact O-N 3.5Å
65S95Very high92Very high28 Ų2830.8 Ų30.820%0.19616%0.156CC..Hα-helixtrans-62.4-45.6-178.4-60.60000111.3F61 L63 H67 K68 I69F61-S65 WeakPolarHBondContact CE1-OG 3.4Å; F61-S65 WeakPolarHBondContact CZ-OG 3.29Å; F61-S65 VanDerWaalsContact O-CB 3.29Å; F61-S65 WeakPolarHBondContact O-CB 3.37Å; F61-S65 PolarHBondContact O-N 3.42Å; F61-S65 PolarHBondContact O-OG 3.27Å; L63-S65 PolarHBondContact O-N 3.36Å; S65-H67 PolarHBondContact O-N 2.88Å; S65-K68 PolarHBondContact O-N 2.99Å; S65-I69 VanDerWaalsContact O-CB 3.22Å; S65-I69 WeakPolarHBondContact O-CB 3.4Å; S65-I69 WeakPolarHBondContact O-CG1 3.5Å; S65-I69 PolarHBondContact O-N 3.13Å
66F96.4Very high92.7Very high10 Ų1032.5 Ų32.54%0.04416%0.163CC..Iπ-helixtrans-60.4-48.5178.4176.5-109.8000112.1E62 L63 H70 V71 M92 C95 F96 L99E62-F66 WeakPolarHBondContact O-CB 3.33Å; E62-F66 PolarHBondContact O-N 2.83Å; L63-F66 PolarHBondContact O-N 3.34Å; F66-H70 HydrophobicContact CD2-CB 4.14Å; F66-H70 HydrophobicContact CE2-CB 4.28Å; F66-H70 WeakPolarHBondContact O-CA 3.41Å; F66-H70 WeakPolarHBondContact O-CB 3.36Å; F66-H70 PolarHBondContact O-N 3.36Å; F66-V71 HydrophobicContact CD1-CG2 3.61Å; F66-V71 HydrophobicContact CE1-CG2 3.29Å; F66-V71 HydrophobicContact CE2-CG2 4.41Å; F66-V71 HydrophobicContact CG-CG2 4.33Å; F66-V71 HydrophobicContact CZ-CG2 3.75Å; F66-V71 PolarHBondContact O-N 3.31Å; F66-M92 HydrophobicContact CE1-CE 4.29Å; F66-M92 HydrophobicContact CE2-CE 3.61Å; F66-M92 HydrophobicContact CZ-CE 3.4Å; F66-M92 VanDerWaalsContact CZ-CE 3.4Å; F66-C95 HydrophobicContact CE2-CB 3.51Å; F66-C95 HydrophobicContact CZ-CB 3.64Å; F66-F96 AromaticContact CE1-CD1 3.96Å; F66-F96 HydrophobicContact CE1-CD1 3.96Å; F66-F96 HydrophobicContact CE1-CD2 4.36Å; F66-F96 AromaticContact CE1-CE1 3.79Å; F66-F96 HydrophobicContact CE1-CE1 3.79Å; F66-F96 HydrophobicContact CE1-CE2 4.21Å; F66-F96 HydrophobicContact CE1-CG 4.22Å; F66-F96 AromaticContact CE1-CZ 3.91Å; F66-F96 HydrophobicContact CE1-CZ 3.91Å; F66-F96 HydrophobicContact CZ-CD2 4.3Å; F66-F96 HydrophobicContact CZ-CE2 4.29Å; F66-F96 HydrophobicContact CZ-CG 4.44Å; F66-F96 HydrophobicContact CZ-CZ 4.44Å; F66-L99 HydrophobicContact CB-CD2 3.57Å; F66-L99 HydrophobicContact CD1-CD2 3.21Å; F66-L99 HydrophobicContact CD2-CD2 4.38Å; F66-L99 HydrophobicContact CE1-CD2 3.92Å; F66-L99 HydrophobicContact CG-CD2 3.47Å; F66-L99 VanDerWaalsContact CG-CD2 3.47Å
67H97.1Very high93.4Very high0 Ų037.3 Ų37.30%019%0.186CC..Iπ-helixtrans-66.7-42-178.7-81.9-91.7000112.2E16 Y19 I20 L63 L64 S65 L72 F96 Y100E16-H67 WeakPolarHBondContact OE1-CB 3.19Å; E16-H67 IonicContact OE1-CE1 3.21Å; E16-H67 IonicContact OE1-CG 2.81Å; E16-H67 IonicContact OE1-ND1 3.06Å; E16-H67 PolarHBondContact OE1-ND1 3.13Å; E16-H67 IonicContact OE2-ND1 3.84Å; Y19-H67 AromaticContact CD1-ND1 3.82Å; Y19-H67 HydrophobicContact CE1-CB 4.45Å; Y19-H67 AromaticContact CE1-CD2 3.8Å; Y19-H67 AromaticContact CE1-CE1 3.68Å; Y19-H67 AromaticContact CE1-CG 3.71Å; Y19-H67 AromaticContact CE1-ND1 3.65Å; Y19-H67 AromaticContact CE1-NE2 3.77Å; I20-H67 HydrophobicContact CD1-CB 4.45Å; I20-H67 HydrophobicContact CG1-CB 3.9Å; L63-H67 WeakPolarHBondContact O-CB 3.45Å; L63-H67 PolarHBondContact O-CD2 2.92Å; L63-H67 PolarHBondContact O-N 2.94Å; L64-H67 PolarHBondContact O-N 3.34Å; S65-H67 PolarHBondContact O-N 2.88Å; H67-L72 PolarHBondContact O-N 3.02Å; H67-F96 AromaticContact CE1-CE1 3.87Å; H67-Y100 AromaticContact NE2-CE2 3.71Å; H67-Y100 AromaticContact NE2-CZ 3.75Å; H67-Y100 PolarHBondContact NE2-OH 3.03Å
68K96.1Very high93.8Very high108 Ų10837 Ų3747%0.4719%0.185SC..Iπ-helixtrans-72.5-42.5-178-172.9176.4-176.2176.70113.6I20 L64 S65 P73I20-K68 HydrophobicContact CG2-CB 3.99Å; I20-K68 HydrophobicContact CG2-CD 4.27Å; I20-K68 HydrophobicContact CG2-CG 4.08Å; L64-K68 WeakPolarHBondContact O-CB 3.42Å; L64-K68 PolarHBondContact O-N 3.5Å; S65-K68 PolarHBondContact O-N 2.99Å; K68-P73 WeakPolarHBondContact O-CD 3.31Å
69I95.2Very high94.2Very high104 Ų10442.2 Ų42.253%0.53321%0.207SC..Iπ-helixtrans-93.8-34-171-59.7172.6000111.7S65 P73S65-I69 VanDerWaalsContact O-CB 3.22Å; S65-I69 WeakPolarHBondContact O-CB 3.4Å; S65-I69 WeakPolarHBondContact O-CG1 3.5Å; S65-I69 PolarHBondContact O-N 3.13Å; I69-P73 WeakPolarHBondContact O-CG 3.47Å
70H94.1Very high94.2Very high50 Ų5042.2 Ų42.223%0.23121%0.208CC..Iπ-helixtrans-110.8-55.1-174-59.1-67.7000112.3F66 T74 M92F66-H70 HydrophobicContact CD2-CB 4.14Å; F66-H70 HydrophobicContact CE2-CB 4.28Å; F66-H70 WeakPolarHBondContact O-CA 3.41Å; F66-H70 WeakPolarHBondContact O-CB 3.36Å; F66-H70 PolarHBondContact O-N 3.36Å; H70-T74 WeakPolarHBondContact O-CB 3.41Å; H70-T74 VanDerWaalsContact O-CG2 3.24Å; H70-T74 WeakPolarHBondContact O-CG2 3.25Å; H70-T74 PolarHBondContact O-N 2.93Å; H70-T74 PolarHBondContact O-OG1 3.41Å; H70-M92 HydrophobicContact CB-CE 4.1Å
71V95.6Very high94.3Very high0 Ų044.6 Ų44.60%022%0.224CC..Iπ-helixtrans-63.5-60.3-172.6174.80000112.2E16 F66 T74 L75 W88 M92 F96 Y158E16-V71 HydrophobicContact CG-CG1 4.3Å; E16-V71 VanDerWaalsContact OE1-CG1 3.24Å; E16-V71 WeakPolarHBondContact OE1-CG1 3.27Å; F66-V71 HydrophobicContact CD1-CG2 3.61Å; F66-V71 HydrophobicContact CE1-CG2 3.29Å; F66-V71 HydrophobicContact CE2-CG2 4.41Å; F66-V71 HydrophobicContact CG-CG2 4.33Å; F66-V71 HydrophobicContact CZ-CG2 3.75Å; F66-V71 PolarHBondContact O-N 3.31Å; V71-T74 PolarHBondContact O-N 3.02Å; V71-T74 PolarHBondContact O-OG1 2.96Å; V71-L75 WeakPolarHBondContact O-CB 3.4Å; V71-L75 PolarHBondContact O-N 2.94Å; V71-W88 HydrophobicContact CG1-CZ2 4.06Å; V71-M92 HydrophobicContact CB-CE 4.37Å; V71-M92 HydrophobicContact CG2-CE 3.63Å; V71-F96 HydrophobicContact CG1-CZ 4.32Å; V71-F96 HydrophobicContact CG2-CE1 4.42Å; V71-F96 HydrophobicContact CG2-CE2 4.34Å; V71-F96 HydrophobicContact CG2-CZ 3.75Å; V71-Y158 WeakPolarHBondContact CG1-OH 2.95Å
72L96.1Very high94.4Very high15 Ų1539.8 Ų39.88%0.07920%0.203CC..Hα-helixtrans-61.9-45.6-175178.565.3000112.9L13 E16 N17 I20 H67 L75 K76L13-L72 HydrophobicContact CD2-CD1 4.33Å; E16-L72 HydrophobicContact CB-CD1 4.16Å; E16-L72 HydrophobicContact CG-CB 3.93Å; E16-L72 HydrophobicContact CG-CD1 3.9Å; E16-L72 HydrophobicContact CG-CG 4.45Å; N17-L72 HydrophobicContact CB-CD2 4.45Å; I20-L72 HydrophobicContact CD1-CB 3.74Å; I20-L72 HydrophobicContact CD1-CD2 3.71Å; I20-L72 HydrophobicContact CD1-CG 4.31Å; H67-L72 PolarHBondContact O-N 3.02Å; L72-L75 PolarHBondContact O-N 3.33Å; L72-K76 HydrophobicContact CD1-CD 4.46Å; L72-K76 HydrophobicContact CD1-CG 4.36Å; L72-K76 HydrophobicContact CG-CD 4.42Å; L72-K76 WeakPolarHBondContact O-CG 3.44Å; L72-K76 PolarHBondContact O-N 2.97Å
73P95.8Very high94.5Very high51 Ų5141.9 Ų41.933%0.33121%0.212SC..Hα-helixtrans-62.1-48.6178.4-27.639.5000113.2K68 I69 L75 K76 E77K68-P73 WeakPolarHBondContact O-CD 3.31Å; I69-P73 WeakPolarHBondContact O-CG 3.47Å; P73-L75 VanDerWaalsContact C-N 3.28Å; P73-L75 PolarHBondContact O-N 2.92Å; P73-K76 WeakPolarHBondContact O-CB 3.47Å; P73-K76 PolarHBondContact O-N 2.83Å; P73-K76 VanDerWaalsContact O-N 3.17Å; P73-E77 WeakPolarHBondContact O-CG 3.42Å; P73-E77 PolarHBondContact O-N 3.33Å
74T94.8Very high94.5Very high5 Ų544.8 Ų44.83%0.03123%0.226CC..Hα-helixtrans-66.5-31.3179.857.40000112.7H70 V71 E77 C78 W88 L362H70-T74 WeakPolarHBondContact O-CB 3.41Å; H70-T74 VanDerWaalsContact O-CG2 3.24Å; H70-T74 WeakPolarHBondContact O-CG2 3.25Å; H70-T74 PolarHBondContact O-N 2.93Å; H70-T74 PolarHBondContact O-OG1 3.41Å; V71-T74 PolarHBondContact O-N 3.02Å; V71-T74 PolarHBondContact O-OG1 2.96Å; T74-E77 WeakPolarHBondContact O-CB 3.48Å; T74-E77 PolarHBondContact O-N 2.83Å; T74-C78 PolarHBondContact O-N 3.27Å; T74-C78 PolarHBondContact O-SG 3.06Å; T74-W88 PolarHBondContact OG1-NE1 3.35Å; T74-L362 HydrophobicContact CG2-CD1 4.26Å; T74-L362 HydrophobicContact CG2-CD2 3.59Å
75L94Very high94.5Very high1 Ų144.5 Ų44.51%0.00523%0.225CC..Hα-helixtrans-69.2-41.6174.4-168.358.7000110.9W9 L12 L13 V71 L72 P73 E77 C78 W88W9-L75 HydrophobicContact CH2-CD1 3.75Å; W9-L75 HydrophobicContact CH2-CG 3.83Å; W9-L75 WeakPolarHBondContact CH2-O 3Å; W9-L75 WeakPolarHBondContact CZ2-O 3.24Å; W9-L75 HydrophobicContact CZ3-CD1 3.98Å; W9-L75 HydrophobicContact CZ3-CG 4.32Å; L12-L75 HydrophobicContact CD2-CD1 4.05Å; L12-L75 HydrophobicContact CD2-CD2 3.34Å; L12-L75 HydrophobicContact CD2-CG 3.86Å; L13-L75 HydrophobicContact CD2-CB 4.29Å; L13-L75 HydrophobicContact CD2-CD2 4.08Å; L13-L75 HydrophobicContact CD2-CG 3.82Å; V71-L75 WeakPolarHBondContact O-CB 3.4Å; V71-L75 PolarHBondContact O-N 2.94Å; L72-L75 PolarHBondContact O-N 3.33Å; P73-L75 VanDerWaalsContact C-N 3.28Å; P73-L75 PolarHBondContact O-N 2.92Å; L75-E77 VanDerWaalsContact C-N 3.29Å; L75-E77 PolarHBondContact O-N 2.95Å; L75-C78 WeakPolarHBondContact O-CB 3.28Å; L75-C78 PolarHBondContact O-N 3.3Å; L75-C78 VanDerWaalsContact O-N 3.08Å; L75-W88 HydrophobicContact CB-CZ2 4.47Å; L75-W88 HydrophobicContact CD1-CD2 3.87Å; L75-W88 HydrophobicContact CD1-CE3 3.87Å; L75-W88 HydrophobicContact CD1-CH2 3.92Å; L75-W88 HydrophobicContact CD1-CZ2 3.93Å; L75-W88 HydrophobicContact CD1-CZ3 3.87Å; L75-W88 HydrophobicContact CD2-CZ2 4.42Å
76K94.8Very high94.6Very high118 Ų11846.4 Ų46.451%0.51323%0.229SC..Hα-helixtrans-59.3-39.6172.5-75176.5176.7-179.30112.2L13 L72 P73 C78 N79L13-K76 HydrophobicContact CD1-CG 4.26Å; L13-K76 HydrophobicContact CD2-CG 4.01Å; L72-K76 HydrophobicContact CD1-CD 4.46Å; L72-K76 HydrophobicContact CD1-CG 4.36Å; L72-K76 HydrophobicContact CG-CD 4.42Å; L72-K76 WeakPolarHBondContact O-CG 3.44Å; L72-K76 PolarHBondContact O-N 2.97Å; P73-K76 WeakPolarHBondContact O-CB 3.47Å; P73-K76 PolarHBondContact O-N 2.83Å; P73-K76 VanDerWaalsContact O-N 3.17Å; K76-C78 PolarHBondContact O-N 3.12Å; K76-N79 PolarHBondContact O-N 3.14Å
77E93.1Very high94.4Very high106 Ų10647.8 Ų47.850%0.49523%0.234SC..Hα-helixtrans-61.7-22.9176.4-71.3173.9-172.500113.4P73 T74 L75 N79P73-E77 WeakPolarHBondContact O-CG 3.42Å; P73-E77 PolarHBondContact O-N 3.33Å; T74-E77 WeakPolarHBondContact O-CB 3.48Å; T74-E77 PolarHBondContact O-N 2.83Å; L75-E77 VanDerWaalsContact C-N 3.29Å; L75-E77 PolarHBondContact O-N 2.95Å; E77-N79 PolarHBondContact O-N 3.37Å
78C92.6Very high94.4Very high2 Ų248 Ų481%0.01424%0.235CC..THydrogen-bonded Turntrans-64.9-24.2174.3-61.40000112.3W9 T74 L75 K76 G80 S81 M84 I85 W88W9-C78 HydrophobicContact CH2-CB 4.04Å; W9-C78 HydrophobicContact CZ2-CB 4.4Å; T74-C78 PolarHBondContact O-N 3.27Å; T74-C78 PolarHBondContact O-SG 3.06Å; L75-C78 WeakPolarHBondContact O-CB 3.28Å; L75-C78 PolarHBondContact O-N 3.3Å; L75-C78 VanDerWaalsContact O-N 3.08Å; K76-C78 PolarHBondContact O-N 3.12Å; C78-G80 PolarHBondContact O-N 3.42Å; C78-G80 VanDerWaalsContact O-N 3.07Å; C78-S81 VanDerWaalsContact O-CB 3.29Å; C78-S81 WeakPolarHBondContact O-CB 3.33Å; C78-S81 PolarHBondContact O-N 2.74Å; C78-M84 HydrophobicContact CB-CB 3.97Å; C78-I85 HydrophobicContact CB-CG1 3.9Å; C78-W88 VanDerWaalsContact SG-CB 3.57Å
79N92Very high94.4Very high130 Ų13042.9 Ų42.970%0.69521%0.213SC*.THydrogen-bonded Turntrans48.136.9178-164.128.4000114K76 E77 S81K76-N79 PolarHBondContact O-N 3.14Å; E77-N79 PolarHBondContact O-N 3.37Å; N79-S81 PolarHBondContact O-N 3.33Å
80G90.6Very high94.3Very high1 Ų140.6 Ų40.61%0.0121%0.206CC..THydrogen-bonded Turntrans69.47-177.100000115.2M1 Y5 W9 C78 A82M1-G80 VanDerWaalsContact CE-O 3.26Å; M1-G80 WeakPolarHBondContact CE-O 3.23Å; Y5-G80 VanDerWaalsContact CE1-O 3.3Å; Y5-G80 WeakPolarHBondContact CE1-O 3.46Å; Y5-G80 PolarHBondContact OH-O 2.64Å; W9-G80 VanDerWaalsContact CE2-N 3.29Å; C78-G80 PolarHBondContact O-N 3.42Å; C78-G80 VanDerWaalsContact O-N 3.07Å; G80-A82 PolarHBondContact O-N 3.19Å
81S93.1Very high94.3Very high49 Ų4940.2 Ų40.234%0.34321%0.205SC..  trans-72.4117.2175174.70000110.6C78 N79 K83 M84 I85C78-S81 VanDerWaalsContact O-CB 3.29Å; C78-S81 WeakPolarHBondContact O-CB 3.33Å; C78-S81 PolarHBondContact O-N 2.74Å; N79-S81 PolarHBondContact O-N 3.33Å; S81-K83 VanDerWaalsContact C-N 3.27Å; S81-K83 PolarHBondContact O-N 2.74Å; S81-M84 PolarHBondContact O-N 3.49Å; S81-I85 WeakPolarHBondContact O-CG1 3.26Å; S81-I85 PolarHBondContact O-N 3.4Å
82A94.1Very high94.2Very high2 Ų240.3 Ų40.32%0.01721%0.206CC..Hα-helixtrans-55.7-40.5179.500000113.1G80 I85 K86 D173 Y176 L177G80-A82 PolarHBondContact O-N 3.19Å; A82-I85 PolarHBondContact O-N 3.2Å; A82-K86 PolarHBondContact O-N 3.36Å; A82-D173 HydrophobicContact CB-CB 3.56Å; A82-Y176 HydrophobicContact CB-CD2 4.49Å; A82-Y176 WeakPolarHBondContact O-CB 3.47Å; A82-L177 HydrophobicContact CB-CD1 4.27Å; A82-L177 HydrophobicContact CB-CD2 4.08Å; A82-L177 HydrophobicContact CB-CG 3.85Å
83K94.2Very high94.1Very high94 Ų9439.8 Ų39.841%0.40920%0.203SC..Hα-helixtrans-61.9-43.2175.7-175.7-179.6176.8-177.40111.6S81 Y87 Y176S81-K83 VanDerWaalsContact C-N 3.27Å; S81-K83 PolarHBondContact O-N 2.74Å; K83-Y87 PolarHBondContact O-N 3.05Å; K83-Y176 HydrophobicContact CB-CD2 4.38Å; K83-Y176 HydrophobicContact CB-CE2 4.47Å; K83-Y176 HydrophobicContact CB-CG 4.47Å; K83-Y176 HydrophobicContact CG-CE1 4.46Å
84M95.1Very high94.1Very high61 Ų6140 Ų4030%0.321%0.205SC..Hα-helixtrans-68.5-39.8178.1-64.2-70.5-74.700111.4C78 S81 Y87 W88 L359C78-M84 HydrophobicContact CB-CB 3.97Å; S81-M84 PolarHBondContact O-N 3.49Å; M84-Y87 PolarHBondContact O-N 3.03Å; M84-W88 VanDerWaalsContact O-CB 3.28Å; M84-W88 WeakPolarHBondContact O-CB 3.36Å; M84-W88 PolarHBondContact O-N 2.96Å; M84-L359 HydrophobicContact CE-CD1 3.31Å; M84-L359 HydrophobicContact CE-CD2 4.44Å; M84-L359 HydrophobicContact CE-CG 4.2Å; M84-L359 HydrophobicContact SD-CD1 3.8Å
85I95.8Very high94.1Very high0 Ų040.3 Ų40.30%021%0.207CC..Hα-helixtrans-61.6-45.1176.9-67.3166.3000111.2W9 C78 S81 A82 Y87 W88 A89 L162 L165 L177 A180W9-I85 HydrophobicContact CE3-CD1 4.02Å; W9-I85 HydrophobicContact CH2-CD1 4.43Å; W9-I85 HydrophobicContact CH2-CG1 4.43Å; W9-I85 HydrophobicContact CZ3-CD1 3.73Å; W9-I85 HydrophobicContact CZ3-CG1 4.09Å; C78-I85 HydrophobicContact CB-CG1 3.9Å; S81-I85 WeakPolarHBondContact O-CG1 3.26Å; S81-I85 PolarHBondContact O-N 3.4Å; A82-I85 PolarHBondContact O-N 3.2Å; I85-Y87 VanDerWaalsContact C-N 3.29Å; I85-Y87 PolarHBondContact O-N 3.26Å; I85-W88 PolarHBondContact O-N 3.14Å; I85-A89 WeakPolarHBondContact O-CB 3.5Å; I85-A89 PolarHBondContact O-N 3.03Å; I85-L162 HydrophobicContact CG2-CD2 3.58Å; I85-L165 HydrophobicContact CD1-CD1 4.45Å; I85-L177 HydrophobicContact CB-CD2 4.42Å; I85-L177 HydrophobicContact CD1-CD2 4.1Å; I85-L177 HydrophobicContact CG2-CD2 4.18Å; I85-A180 HydrophobicContact CG2-CB 4.11Å
86K95.7Very high94.2Very high67 Ų6740.3 Ų40.329%0.29121%0.207SC..Hα-helixtrans-54-49.5173.4174.8-176.3167.71690111.4A82 A89 S90 Y176 D179A82-K86 PolarHBondContact O-N 3.36Å; K86-A89 PolarHBondContact O-N 3.32Å; K86-S90 PolarHBondContact O-N 3.47Å; K86-S90 VanDerWaalsContact O-N 3.08Å; K86-S90 PolarHBondContact O-OG 2.78Å; K86-Y176 WeakPolarHBondContact CB-O 3.37Å; K86-Y176 HydrophobicContact CD-CD1 3.71Å; K86-D179 HydrophobicContact CD-CB 3.76Å; K86-D179 WeakPolarHBondContact CD-OD2 3.39Å; K86-D179 WeakPolarHBondContact CE-OD2 3.38Å; K86-D179 HydrophobicContact CG-CB 3.88Å; K86-D179 IonicContact NZ-OD2 2.74Å; K86-D179 PolarHBondContact NZ-OD2 3.22Å
87Y93.4Very high94.2Very high40 Ų4034.9 Ų34.916%0.15718%0.184CC..Hα-helixtrans-70.4-40.7-174.9177-96.5000111.7K83 M84 I85 A89 S90 I91 L356 L359K83-Y87 PolarHBondContact O-N 3.05Å; M84-Y87 PolarHBondContact O-N 3.03Å; I85-Y87 VanDerWaalsContact C-N 3.29Å; I85-Y87 PolarHBondContact O-N 3.26Å; Y87-A89 PolarHBondContact O-N 3.01Å; Y87-S90 WeakPolarHBondContact O-CB 3.46Å; Y87-S90 PolarHBondContact O-N 3.36Å; Y87-S90 VanDerWaalsContact O-N 3.14Å; Y87-I91 HydrophobicContact CD1-CD1 3.66Å; Y87-I91 HydrophobicContact CD1-CG1 4.33Å; Y87-I91 HydrophobicContact CE1-CD1 2.95Å; Y87-I91 HydrophobicContact CE1-CG1 3.77Å; Y87-I91 HydrophobicContact CE2-CD1 4.17Å; Y87-I91 HydrophobicContact CE2-CG1 4.11Å; Y87-I91 PolarHBondContact O-N 3.32Å; Y87-I91 WeakPolarHBondContact OH-CD1 3.45Å; Y87-L356 HydrophobicContact CD2-CD2 3.41Å; Y87-L356 VanDerWaalsContact CD2-CD2 3.41Å; Y87-L356 HydrophobicContact CE2-CD2 3.17Å; Y87-L356 HydrophobicContact CE2-CG 4.42Å; Y87-L356 HydrophobicContact CG-CD2 4.46Å; Y87-L356 PolarHBondContact OH-O 3.03Å; Y87-L359 HydrophobicContact CD1-CB 4.14Å; Y87-L359 HydrophobicContact CD1-CD1 3.37Å; Y87-L359 HydrophobicContact CD1-CG 4.23Å; Y87-L359 HydrophobicContact CE1-CB 3.29Å; Y87-L359 HydrophobicContact CE1-CD1 3.41Å; Y87-L359 VanDerWaalsContact CE1-CD1 3.41Å; Y87-L359 HydrophobicContact CE1-CD2 4.44Å; Y87-L359 HydrophobicContact CE1-CG 3.86Å
88W96.1Very high94.2Very high5 Ų530.6 Ų30.62%0.01916%0.164CC..Hα-helixtrans-54.5-50.4170.3166.784.1000111.8V71 T74 L75 C78 M84 I85 S90 I91 M92 F96 Y158 F184V71-W88 HydrophobicContact CG1-CZ2 4.06Å; T74-W88 PolarHBondContact OG1-NE1 3.35Å; L75-W88 HydrophobicContact CB-CZ2 4.47Å; L75-W88 HydrophobicContact CD1-CD2 3.87Å; L75-W88 HydrophobicContact CD1-CE3 3.87Å; L75-W88 HydrophobicContact CD1-CH2 3.92Å; L75-W88 HydrophobicContact CD1-CZ2 3.93Å; L75-W88 HydrophobicContact CD1-CZ3 3.87Å; L75-W88 HydrophobicContact CD2-CZ2 4.42Å; C78-W88 VanDerWaalsContact SG-CB 3.57Å; M84-W88 VanDerWaalsContact O-CB 3.28Å; M84-W88 WeakPolarHBondContact O-CB 3.36Å; M84-W88 PolarHBondContact O-N 2.96Å; I85-W88 PolarHBondContact O-N 3.14Å; W88-S90 PolarHBondContact O-N 3.43Å; W88-I91 PolarHBondContact O-N 3.4Å; W88-M92 HydrophobicContact CD2-CG 4.48Å; W88-M92 HydrophobicContact CG-CG 4.37Å; W88-M92 HydrophobicContact CZ2-CG 4.48Å; W88-M92 WeakPolarHBondContact O-CB 3.37Å; W88-M92 VanDerWaalsContact O-CG 3.26Å; W88-M92 WeakPolarHBondContact O-CG 3.05Å; W88-M92 PolarHBondContact O-N 2.93Å; W88-F96 HydrophobicContact CZ2-CE2 4.3Å; W88-Y158 HydrophobicContact CH2-CD1 4.18Å; W88-Y158 AromaticContact CH2-CE1 3.87Å; W88-Y158 HydrophobicContact CH2-CE1 3.87Å; W88-F184 HydrophobicContact CE3-CE2 4.44Å; W88-F184 AromaticContact CH2-CE2 3.87Å; W88-F184 HydrophobicContact CH2-CE2 3.87Å; W88-F184 AromaticContact CH2-CZ 3.53Å; W88-F184 HydrophobicContact CH2-CZ 3.53Å; W88-F184 AromaticContact CZ3-CE2 3.51Å; W88-F184 HydrophobicContact CZ3-CE2 3.51Å; W88-F184 AromaticContact CZ3-CZ 3.7Å; W88-F184 HydrophobicContact CZ3-CZ 3.7Å
89A95.8Very high94.4Very high0 Ų030.7 Ų30.70%017%0.165CC..Hα-helixtrans-58.3-40.1177.700000111.4I85 K86 Y87 A93 A180 T183 F184I85-A89 WeakPolarHBondContact O-CB 3.5Å; I85-A89 PolarHBondContact O-N 3.03Å; K86-A89 PolarHBondContact O-N 3.32Å; Y87-A89 PolarHBondContact O-N 3.01Å; A89-A93 WeakPolarHBondContact O-CB 3.47Å; A89-A93 PolarHBondContact O-N 2.89Å; A89-A180 HydrophobicContact CB-CB 4.08Å; A89-T183 HydrophobicContact CB-CG2 4.3Å; A89-F184 HydrophobicContact CB-CD2 4.28Å; A89-F184 HydrophobicContact CB-CE2 3.83Å
90S93.6Very high94.5Very high55 Ų5524.5 Ų24.539%0.38513%0.132SC..Hα-helixtrans-66.9-42.7-180-53.70000112.7K86 Y87 W88K86-S90 PolarHBondContact O-N 3.47Å; K86-S90 VanDerWaalsContact O-N 3.08Å; K86-S90 PolarHBondContact O-OG 2.78Å; Y87-S90 WeakPolarHBondContact O-CB 3.46Å; Y87-S90 PolarHBondContact O-N 3.36Å; Y87-S90 VanDerWaalsContact O-N 3.14Å; W88-S90 PolarHBondContact O-N 3.43Å
91I93.5Very high94.5Very high43 Ų4324.5 Ų24.522%0.22113%0.131CC..Hα-helixtrans-70.1-41.1176.7-63164.1000111.6Y87 W88 A93 P94 L359 I364Y87-I91 HydrophobicContact CD1-CD1 3.66Å; Y87-I91 HydrophobicContact CD1-CG1 4.33Å; Y87-I91 HydrophobicContact CE1-CD1 2.95Å; Y87-I91 HydrophobicContact CE1-CG1 3.77Å; Y87-I91 HydrophobicContact CE2-CD1 4.17Å; Y87-I91 HydrophobicContact CE2-CG1 4.11Å; Y87-I91 PolarHBondContact O-N 3.32Å; Y87-I91 WeakPolarHBondContact OH-CD1 3.45Å; W88-I91 PolarHBondContact O-N 3.4Å; I91-A93 VanDerWaalsContact C-N 3.28Å; I91-A93 PolarHBondContact O-N 3.21Å; I91-P94 WeakPolarHBondContact O-CD 3.36Å; I91-L359 HydrophobicContact CD1-CB 4.19Å; I91-I364 HydrophobicContact CG2-CD1 3.66Å
92M94.2Very high94.3Very high1 Ų122.3 Ų22.31%0.00512%0.116CC..Hα-helixtrans-76.2-19.8-173.7-66.1-63.4-80.600112.2F66 H70 V71 W88 C95 F96 I364F66-M92 HydrophobicContact CE1-CE 4.29Å; F66-M92 HydrophobicContact CE2-CE 3.61Å; F66-M92 HydrophobicContact CZ-CE 3.4Å; F66-M92 VanDerWaalsContact CZ-CE 3.4Å; H70-M92 HydrophobicContact CB-CE 4.1Å; V71-M92 HydrophobicContact CB-CE 4.37Å; V71-M92 HydrophobicContact CG2-CE 3.63Å; W88-M92 HydrophobicContact CD2-CG 4.48Å; W88-M92 HydrophobicContact CG-CG 4.37Å; W88-M92 HydrophobicContact CZ2-CG 4.48Å; W88-M92 WeakPolarHBondContact O-CB 3.37Å; W88-M92 VanDerWaalsContact O-CG 3.26Å; W88-M92 WeakPolarHBondContact O-CG 3.05Å; W88-M92 PolarHBondContact O-N 2.93Å; M92-C95 WeakPolarHBondContact O-CB 3.2Å; M92-C95 PolarHBondContact O-N 3.37Å; M92-F96 HydrophobicContact CB-CD2 3.75Å; M92-F96 HydrophobicContact CB-CE2 3.7Å; M92-F96 WeakPolarHBondContact O-CD2 3.27Å; M92-F96 PolarHBondContact O-N 3.38Å; M92-I364 HydrophobicContact SD-CD1 3.96Å
93A94.6Very high94.2Very high4 Ų422.4 Ų22.43%0.03312%0.116CC..Hα-helixtrans-52.1-50.7-175.100000114.5A89 I91 C95 F96 I97 T183 I187A89-A93 WeakPolarHBondContact O-CB 3.47Å; A89-A93 PolarHBondContact O-N 2.89Å; I91-A93 VanDerWaalsContact C-N 3.28Å; I91-A93 PolarHBondContact O-N 3.21Å; A93-C95 VanDerWaalsContact C-N 3.31Å; A93-C95 PolarHBondContact O-N 2.93Å; A93-F96 PolarHBondContact O-N 3.04Å; A93-I97 VanDerWaalsContact O-CG1 3.29Å; A93-I97 WeakPolarHBondContact O-CG1 3.36Å; A93-I97 PolarHBondContact O-N 3.19Å; A93-T183 HydrophobicContact CB-CG2 3.85Å; A93-I187 HydrophobicContact CB-CD1 3.65Å; A93-I187 HydrophobicContact CB-CG1 3.81Å
94P94.4Very high93.8Very high57 Ų5718.9 Ų18.937%0.3710%0.102SC..Hα-helixtrans-53.3-44.9174.1-29.637.2000113.7I91 I97 D98 S205I91-P94 WeakPolarHBondContact O-CD 3.36Å; P94-I97 PolarHBondContact O-N 3.34Å; P94-D98 PolarHBondContact O-N 2.92Å; P94-S205 WeakPolarHBondContact O-CB 3.35Å
95C95.1Very high93.2Very high11 Ų1116.8 Ų16.87%0.0749%0.092CC..Hα-helixtrans-66.4-42.4-178.3-56.20000111.4F66 M92 A93 L99 L369F66-C95 HydrophobicContact CE2-CB 3.51Å; F66-C95 HydrophobicContact CZ-CB 3.64Å; M92-C95 WeakPolarHBondContact O-CB 3.2Å; M92-C95 PolarHBondContact O-N 3.37Å; A93-C95 VanDerWaalsContact C-N 3.31Å; A93-C95 PolarHBondContact O-N 2.93Å; C95-L99 WeakPolarHBondContact O-CB 3.43Å; C95-L99 PolarHBondContact O-N 3.45Å; C95-L369 HydrophobicContact CB-CD1 4.14Å; C95-L369 VanDerWaalsContact SG-CD1 3.59Å
96F96.2Very high92.5Very high0 Ų019.2 Ų19.20%010%0.103CC..Hα-helixtrans-60.4-45.6173.5-85.4-72.9000111.5F66 H67 V71 W88 M92 A93 Y100 I155 Y158 F184 I187F66-F96 AromaticContact CE1-CD1 3.96Å; F66-F96 HydrophobicContact CE1-CD1 3.96Å; F66-F96 HydrophobicContact CE1-CD2 4.36Å; F66-F96 AromaticContact CE1-CE1 3.79Å; F66-F96 HydrophobicContact CE1-CE1 3.79Å; F66-F96 HydrophobicContact CE1-CE2 4.21Å; F66-F96 HydrophobicContact CE1-CG 4.22Å; F66-F96 AromaticContact CE1-CZ 3.91Å; F66-F96 HydrophobicContact CE1-CZ 3.91Å; F66-F96 HydrophobicContact CZ-CD2 4.3Å; F66-F96 HydrophobicContact CZ-CE2 4.29Å; F66-F96 HydrophobicContact CZ-CG 4.44Å; F66-F96 HydrophobicContact CZ-CZ 4.44Å; H67-F96 AromaticContact CE1-CE1 3.87Å; V71-F96 HydrophobicContact CG1-CZ 4.32Å; V71-F96 HydrophobicContact CG2-CE1 4.42Å; V71-F96 HydrophobicContact CG2-CE2 4.34Å; V71-F96 HydrophobicContact CG2-CZ 3.75Å; W88-F96 HydrophobicContact CZ2-CE2 4.3Å; M92-F96 HydrophobicContact CB-CD2 3.75Å; M92-F96 HydrophobicContact CB-CE2 3.7Å; M92-F96 WeakPolarHBondContact O-CD2 3.27Å; M92-F96 PolarHBondContact O-N 3.38Å; A93-F96 PolarHBondContact O-N 3.04Å; F96-Y100 AromaticContact CD1-CD2 3.89Å; F96-Y100 HydrophobicContact CD1-CD2 3.89Å; F96-Y100 AromaticContact CD1-CE2 3.59Å; F96-Y100 HydrophobicContact CD1-CE2 3.59Å; F96-Y100 AromaticContact CE1-CE2 3.98Å; F96-Y100 HydrophobicContact CE1-CE2 3.98Å; F96-Y100 VanDerWaalsContact O-CB 3.29Å; F96-Y100 WeakPolarHBondContact O-CB 2.93Å; F96-Y100 WeakPolarHBondContact O-CD2 3.34Å; F96-Y100 PolarHBondContact O-N 2.81Å; F96-I155 HydrophobicContact CB-CD1 4.46Å; F96-I155 HydrophobicContact CD1-CD1 4.36Å; F96-I155 HydrophobicContact CD1-CG1 4.39Å; F96-Y158 AromaticContact CE1-CE2 3.96Å; F96-Y158 HydrophobicContact CE1-CE2 3.96Å; F96-Y158 AromaticContact CZ-CE2 3.98Å; F96-Y158 HydrophobicContact CZ-CE2 3.98Å; F96-F184 HydrophobicContact CD2-CE1 4.19Å; F96-F184 HydrophobicContact CD2-CZ 4.32Å; F96-F184 HydrophobicContact CE1-CE1 4.47Å; F96-F184 HydrophobicContact CE2-CE1 4.03Å; F96-F184 AromaticContact CE2-CZ 3.92Å; F96-F184 HydrophobicContact CE2-CZ 3.92Å; F96-F184 HydrophobicContact CG-CE1 4.5Å; F96-F184 HydrophobicContact CZ-CE1 4.18Å; F96-F184 HydrophobicContact CZ-CZ 4.3Å; F96-I187 HydrophobicContact CB-CD1 4.13Å; F96-I187 HydrophobicContact CB-CG2 3.95Å; F96-I187 HydrophobicContact CD2-CD1 4.48Å
97I94.9Very high91.9Very high4 Ų417.2 Ų17.22%0.02110%0.095CC..Hα-helixtrans-59.2-51.4-179.6-70.6164.7000110.7A93 P94 T101 I187 T190 P204A93-I97 VanDerWaalsContact O-CG1 3.29Å; A93-I97 WeakPolarHBondContact O-CG1 3.36Å; A93-I97 PolarHBondContact O-N 3.19Å; P94-I97 PolarHBondContact O-N 3.34Å; I97-T101 WeakPolarHBondContact O-CB 3.36Å; I97-T101 PolarHBondContact O-N 2.64Å; I97-T101 PolarHBondContact O-OG1 3.13Å; I97-I187 HydrophobicContact CD1-CG1 4.38Å; I97-I187 HydrophobicContact CG1-CB 4.31Å; I97-I187 HydrophobicContact CG1-CG1 4.17Å; I97-I187 HydrophobicContact CG1-CG2 3.98Å; I97-T190 HydrophobicContact CD1-CG2 4.17Å; I97-T190 HydrophobicContact CG1-CG2 4.39Å; I97-T190 HydrophobicContact CG2-CG2 3.95Å; I97-P204 HydrophobicContact CG2-CB 3.87Å
98D94.5Very high90.9Very high16 Ų1616.6 Ų16.69%0.0869%0.093CC..Hα-helixtrans-65.8-48.2-177.1-69.5-27.2000111.8P94 Y100 M102 P204 S205 L372P94-D98 PolarHBondContact O-N 2.92Å; D98-Y100 PolarHBondContact O-N 2.74Å; D98-M102 WeakPolarHBondContact O-CB 3.43Å; D98-M102 PolarHBondContact O-N 3.28Å; D98-P204 VanDerWaalsContact OD1-CD 3.3Å; D98-P204 WeakPolarHBondContact OD1-CD 3.48Å; D98-S205 VanDerWaalsContact CG-CB 3.5Å; D98-S205 VanDerWaalsContact CG-OG 3.23Å; D98-S205 VanDerWaalsContact OD1-CB 3.26Å; D98-S205 WeakPolarHBondContact OD1-CB 3.5Å; D98-S205 PolarHBondContact OD1-N 3.29Å; D98-S205 PolarHBondContact OD1-OG 3.32Å; D98-S205 VanDerWaalsContact OD2-CB 3.24Å; D98-S205 WeakPolarHBondContact OD2-CB 3.44Å; D98-S205 PolarHBondContact OD2-OG 3.35Å; D98-L372 HydrophobicContact CB-CD1 3.93Å
99L95.1Very high89.9Confident5 Ų520.1 Ų20.13%0.02611%0.109CC..Hα-helixtrans-62.1-45.1-177.8-179.464.4000112.2N59 E62 L63 F66 C95 Y103 L372N59-L99 PolarHBondContact ND2-O 3.44Å; N59-L99 VanDerWaalsContact ND2-O 3.12Å; E62-L99 HydrophobicContact CB-CD1 3.76Å; L63-L99 HydrophobicContact CD2-CD1 4.34Å; L63-L99 HydrophobicContact CD2-CD2 3.8Å; L63-L99 HydrophobicContact CD2-CG 3.79Å; L63-L99 HydrophobicContact CG-CD1 4.45Å; L63-L99 HydrophobicContact CG-CG 4.43Å; F66-L99 HydrophobicContact CB-CD2 3.57Å; F66-L99 HydrophobicContact CD1-CD2 3.21Å; F66-L99 HydrophobicContact CD2-CD2 4.38Å; F66-L99 HydrophobicContact CE1-CD2 3.92Å; F66-L99 HydrophobicContact CG-CD2 3.47Å; F66-L99 VanDerWaalsContact CG-CD2 3.47Å; C95-L99 WeakPolarHBondContact O-CB 3.43Å; C95-L99 PolarHBondContact O-N 3.45Å; L99-Y103 PolarHBondContact O-N 2.84Å; L99-L372 HydrophobicContact CD1-CD2 4.36Å
100Y94.4Very high89.2Confident0 Ų020.4 Ų20.40%011%0.11CC..Hα-helixtrans-81.3-29.5-177.3-82.1-91.7000113.4L63 H67 F96 D98 M102 Y103 C104 P151 I155L63-Y100 HydrophobicContact CD2-CD1 4.47Å; L63-Y100 HydrophobicContact CD2-CD2 4.36Å; L63-Y100 HydrophobicContact CD2-CE1 4.03Å; L63-Y100 HydrophobicContact CD2-CE2 3.93Å; H67-Y100 AromaticContact NE2-CE2 3.71Å; H67-Y100 AromaticContact NE2-CZ 3.75Å; H67-Y100 PolarHBondContact NE2-OH 3.03Å; F96-Y100 AromaticContact CD1-CD2 3.89Å; F96-Y100 HydrophobicContact CD1-CD2 3.89Å; F96-Y100 AromaticContact CD1-CE2 3.59Å; F96-Y100 HydrophobicContact CD1-CE2 3.59Å; F96-Y100 AromaticContact CE1-CE2 3.98Å; F96-Y100 HydrophobicContact CE1-CE2 3.98Å; F96-Y100 VanDerWaalsContact O-CB 3.29Å; F96-Y100 WeakPolarHBondContact O-CB 2.93Å; F96-Y100 WeakPolarHBondContact O-CD2 3.34Å; F96-Y100 PolarHBondContact O-N 2.81Å; D98-Y100 PolarHBondContact O-N 2.74Å; Y100-M102 VanDerWaalsContact C-N 3.29Å; Y100-Y103 PolarHBondContact O-N 3.3Å; Y100-C104 WeakPolarHBondContact O-CB 3.31Å; Y100-C104 PolarHBondContact O-N 3.23Å; Y100-C104 PolarHBondContact O-SG 3.39Å; Y100-P151 HydrophobicContact CE1-CB 3.9Å; Y100-P151 WeakPolarHBondContact CE1-O 3.42Å; Y100-I155 HydrophobicContact CD1-CB 4.04Å; Y100-I155 HydrophobicContact CD1-CD1 4.09Å; Y100-I155 HydrophobicContact CD1-CG2 3.98Å; Y100-I155 HydrophobicContact CD2-CB 4.49Å; Y100-I155 HydrophobicContact CD2-CD1 3.68Å; Y100-I155 HydrophobicContact CD2-CG1 4.41Å; Y100-I155 HydrophobicContact CE1-CB 3.81Å; Y100-I155 HydrophobicContact CE1-CG2 4.05Å; Y100-I155 HydrophobicContact CE2-CB 4.27Å; Y100-I155 HydrophobicContact CE2-CD1 4.18Å; Y100-I155 HydrophobicContact CE2-CG1 4.44Å; Y100-I155 HydrophobicContact CG-CB 4.35Å; Y100-I155 HydrophobicContact CG-CD1 3.59Å; Y100-I155 HydrophobicContact CG-CG1 4.48Å
101T91Very high88.4Confident1 Ų121.9 Ų21.91%0.00611%0.11CC..Hα-helixtrans-58.5-48.3167.6-59.40000109.4I97 Y103 C104 L105 T194 P204I97-T101 WeakPolarHBondContact O-CB 3.36Å; I97-T101 PolarHBondContact O-N 2.64Å; I97-T101 PolarHBondContact O-OG1 3.13Å; T101-Y103 VanDerWaalsContact C-N 3.35Å; T101-Y103 PolarHBondContact O-N 3.34Å; T101-C104 PolarHBondContact O-N 2.93Å; T101-L105 HydrophobicContact CG2-CD1 4.21Å; T101-L105 VanDerWaalsContact O-CG 3.24Å; T101-L105 WeakPolarHBondContact O-CG 3.12Å; T101-L105 PolarHBondContact O-N 2.85Å; T101-L105 VanDerWaalsContact O-N 3.08Å; T101-T194 WeakPolarHBondContact CG2-OG1 3.43Å; T101-T194 PolarHBondContact OG1-OG1 3.37Å; T101-P204 HydrophobicContact CG2-CB 4.25Å; T101-P204 HydrophobicContact CG2-CG 3.72Å
102M89.3Confident87.4Confident2 Ų221.4 Ų21.41%0.0111%0.105CC..Hα-helixtrans-60.7-42.9177-172.516873.400112.2N59 D98 Y100 L105 F106 L372 N375 L376N59-M102 HydrophobicContact CB-CE 3.51Å; N59-M102 HydrophobicContact CB-CG 4.47Å; N59-M102 WeakPolarHBondContact ND2-CE 3.42Å; D98-M102 WeakPolarHBondContact O-CB 3.43Å; D98-M102 PolarHBondContact O-N 3.28Å; Y100-M102 VanDerWaalsContact C-N 3.29Å; M102-L105 WeakPolarHBondContact O-CB 3.1Å; M102-L105 PolarHBondContact O-N 3.08Å; M102-F106 HydrophobicContact CG-CD2 3.66Å; M102-F106 HydrophobicContact CG-CE2 3.31Å; M102-F106 HydrophobicContact CG-CZ 4.41Å; M102-F106 WeakPolarHBondContact O-CD2 3.18Å; M102-F106 PolarHBondContact O-N 2.99Å; M102-F106 HydrophobicContact SD-CE2 3.89Å; M102-L372 HydrophobicContact CE-CD2 3.32Å; M102-L372 HydrophobicContact SD-CD2 4.11Å; M102-N375 HydrophobicContact SD-CB 3.84Å; M102-L376 HydrophobicContact CB-CD2 4.41Å
103Y91.1Very high86.5Confident5 Ų521.7 Ų21.72%0.0211%0.107CC..Hα-helixtrans-60.7-47.6175.6179.8-98.8000112.8N59 W60 L63 L99 Y100 T101 L105 F106 H107 L148 P151 V152N59-Y103 PolarHBondContact ND2-N 3.16Å; N59-Y103 WeakPolarHBondContact OD1-CA 3.43Å; N59-Y103 WeakPolarHBondContact OD1-CB 3.25Å; N59-Y103 VanDerWaalsContact OD1-CD2 3.27Å; N59-Y103 WeakPolarHBondContact OD1-CD2 3.41Å; W60-Y103 HydrophobicContact CE3-CE2 4.21Å; W60-Y103 HydrophobicContact CZ3-CE2 4.48Å; L63-Y103 HydrophobicContact CD1-CD2 3.25Å; L63-Y103 HydrophobicContact CD1-CE2 3.63Å; L63-Y103 HydrophobicContact CD1-CG 3.78Å; L63-Y103 HydrophobicContact CG-CD2 4.36Å; L99-Y103 PolarHBondContact O-N 2.84Å; Y100-Y103 PolarHBondContact O-N 3.3Å; T101-Y103 VanDerWaalsContact C-N 3.35Å; T101-Y103 PolarHBondContact O-N 3.34Å; Y103-L105 PolarHBondContact O-N 2.92Å; Y103-F106 CarbonylContact O-C 3.47Å; Y103-F106 PolarHBondContact O-N 3.39Å; Y103-F106 VanDerWaalsContact O-N 3.14Å; Y103-H107 HydrophobicContact CE1-CB 4.24Å; Y103-H107 VanDerWaalsContact O-CB 3.29Å; Y103-H107 WeakPolarHBondContact O-CB 3.36Å; Y103-H107 PolarHBondContact O-N 3.28Å; Y103-L148 VanDerWaalsContact OH-C 3.28Å; Y103-L148 WeakPolarHBondContact OH-CA 3.35Å; Y103-L148 PolarHBondContact OH-O 2.94Å; Y103-P151 HydrophobicContact CD1-CB 3.99Å; Y103-P151 HydrophobicContact CE1-CB 3.63Å; Y103-P151 HydrophobicContact CE1-CG 3.89Å; Y103-P151 HydrophobicContact CE2-CB 4.31Å; Y103-P151 HydrophobicContact CE2-CG 3.95Å; Y103-P151 HydrophobicContact CG-CB 4.47Å; Y103-P151 WeakPolarHBondContact OH-CD 3.4Å; Y103-P151 WeakPolarHBondContact OH-CG 3.38Å; Y103-V152 HydrophobicContact CD1-CG2 4.3Å; Y103-V152 HydrophobicContact CE1-CG2 4.08Å
104C87.4Confident85.6Confident19 Ų1921.5 Ų21.513%0.12811%0.105CC..Hα-helixtrans-61.2-33.9178.8-70.30000111.9Y100 T101 M195Y100-C104 WeakPolarHBondContact O-CB 3.31Å; Y100-C104 PolarHBondContact O-N 3.23Å; Y100-C104 PolarHBondContact O-SG 3.39Å; T101-C104 PolarHBondContact O-N 2.93Å; C104-M195 HydrophobicContact CB-CB 3.74Å; C104-M195 HydrophobicContact CB-CG 4.5Å; C104-M195 HydrophobicContact CB-SD 4Å
105L81.3Confident84.6Confident17 Ų1720.7 Ų20.79%0.08910%0.103CC..Hα-helixtrans-67.3-42.4174.3-68171.1000112.5T101 M102 Y103 M195 R198 P377T101-L105 HydrophobicContact CG2-CD1 4.21Å; T101-L105 VanDerWaalsContact O-CG 3.24Å; T101-L105 WeakPolarHBondContact O-CG 3.12Å; T101-L105 PolarHBondContact O-N 2.85Å; T101-L105 VanDerWaalsContact O-N 3.08Å; M102-L105 WeakPolarHBondContact O-CB 3.1Å; M102-L105 PolarHBondContact O-N 3.08Å; Y103-L105 PolarHBondContact O-N 2.92Å; L105-M195 WeakPolarHBondContact CD2-O 3.19Å; L105-R198 VanDerWaalsContact CD2-NH2 3.26Å; L105-P377 HydrophobicContact CD1-CG 3.66Å
106F82.2Confident83.5Confident51 Ų5120.4 Ų20.422%0.22410%0.101CC..Hα-helixtrans-75.1-33.4176.7-72.7-57.7000113.1N59 M102 Y103 E108 K109 T110N59-F106 HydrophobicContact CB-CD2 3.99Å; N59-F106 HydrophobicContact CB-CE2 4.21Å; M102-F106 HydrophobicContact CG-CD2 3.66Å; M102-F106 HydrophobicContact CG-CE2 3.31Å; M102-F106 HydrophobicContact CG-CZ 4.41Å; M102-F106 WeakPolarHBondContact O-CD2 3.18Å; M102-F106 PolarHBondContact O-N 2.99Å; M102-F106 HydrophobicContact SD-CE2 3.89Å; Y103-F106 CarbonylContact O-C 3.47Å; Y103-F106 PolarHBondContact O-N 3.39Å; Y103-F106 VanDerWaalsContact O-N 3.14Å; F106-E108 VanDerWaalsContact C-N 3.26Å; F106-E108 PolarHBondContact O-N 2.89Å; F106-K109 HydrophobicContact CD1-CD 4.41Å; F106-K109 CarbonylContact O-C 3.57Å; F106-K109 WeakPolarHBondContact O-CA 3.25Å; F106-K109 WeakPolarHBondContact O-CB 3.48Å; F106-K109 PolarHBondContact O-N 3.14Å; F106-T110 WeakPolarHBondContact O-CB 3.35Å; F106-T110 PolarHBondContact O-N 2.59Å; F106-T110 PolarHBondContact O-OG1 2.94Å
107H81.8Confident82.3Confident25 Ų2520.7 Ų20.712%0.11610%0.102CC..Hα-helixtrans-48.9-47.5-178.3176.684.4000112Y103 T110 K111 L148Y103-H107 HydrophobicContact CE1-CB 4.24Å; Y103-H107 VanDerWaalsContact O-CB 3.29Å; Y103-H107 WeakPolarHBondContact O-CB 3.36Å; Y103-H107 PolarHBondContact O-N 3.28Å; H107-T110 PolarHBondContact O-N 3.1Å; H107-K111 VanDerWaalsContact O-CB 3.27Å; H107-K111 WeakPolarHBondContact O-CB 3.48Å; H107-K111 PolarHBondContact O-N 3.38Å; H107-L148 VanDerWaalsContact CE1-CB 3.42Å; H107-L148 WeakPolarHBondContact CE1-CB 3.32Å; H107-L148 PolarHBondContact CE1-O 3.27Å; H107-L148 PolarHBondContact ND1-O 3.25Å
108E72.2Confident81Confident28 Ų2821.1 Ų21.113%0.13111%0.108CC..Hα-helixtrans-68.1-40.7178.9-71.9-59.2127.800112.5F106 K111 R112 N278 L281F106-E108 VanDerWaalsContact C-N 3.26Å; F106-E108 PolarHBondContact O-N 2.89Å; E108-K111 PolarHBondContact O-N 3.45Å; E108-R112 VanDerWaalsContact O-CD 3.29Å; E108-R112 WeakPolarHBondContact O-CD 3.17Å; E108-R112 WeakPolarHBondContact O-CG 3.31Å; E108-R112 PolarHBondContact O-N 2.88Å; E108-N278 WeakPolarHBondContact CB-OD1 3.44Å; E108-L281 VanDerWaalsContact CD-CD1 3.45Å; E108-L281 HydrophobicContact CG-CD1 4.26Å; E108-L281 WeakPolarHBondContact OE1-CD1 3.47Å; E108-L281 WeakPolarHBondContact OE2-CD1 3.44Å
109K75.7Confident79.7Confident79 Ų7924.7 Ų24.734%0.34313%0.127SC..Hα-helixtrans-61.4-48.1174.8-66.9-171170.9-160.90110.9F106 R112 L113 D274F106-K109 HydrophobicContact CD1-CD 4.41Å; F106-K109 CarbonylContact O-C 3.57Å; F106-K109 WeakPolarHBondContact O-CA 3.25Å; F106-K109 WeakPolarHBondContact O-CB 3.48Å; F106-K109 PolarHBondContact O-N 3.14Å; K109-R112 PolarHBondContact O-N 3.27Å; K109-L113 PolarHBondContact O-N 3.41Å; K109-D274 IonicContact NZ-OD1 3.16Å; K109-D274 PolarHBondContact NZ-OD1 2.94Å
110T80.5Confident78.3Confident5 Ų525.3 Ų25.33%0.03113%0.131CC..Hα-helixtrans-59.9-47.1177.5-65.90000111.5L56 F106 H107 R112 L113 C114 F144 L148L56-T110 HydrophobicContact CD1-CG2 4.37Å; L56-T110 WeakPolarHBondContact O-CG2 3.45Å; L56-T110 PolarHBondContact O-OG1 2.88Å; F106-T110 WeakPolarHBondContact O-CB 3.35Å; F106-T110 PolarHBondContact O-N 2.59Å; F106-T110 PolarHBondContact O-OG1 2.94Å; H107-T110 PolarHBondContact O-N 3.1Å; T110-R112 VanDerWaalsContact C-N 3.27Å; T110-R112 PolarHBondContact O-N 3.37Å; T110-L113 WeakPolarHBondContact O-CB 3.46Å; T110-L113 PolarHBondContact O-N 3.28Å; T110-L113 VanDerWaalsContact O-N 3.12Å; T110-C114 PolarHBondContact O-N 3.35Å; T110-C114 PolarHBondContact O-SG 3.12Å; T110-F144 HydrophobicContact CG2-CE1 3.59Å; T110-F144 HydrophobicContact CG2-CZ 4.12Å; T110-L148 HydrophobicContact CG2-CD1 3.79Å; T110-L148 HydrophobicContact CG2-CD2 3.67Å; T110-L148 HydrophobicContact CG2-CG 4.38Å
111K78Confident76.8Confident86 Ų8625.5 Ų25.537%0.37413%0.132SC..Hα-helixtrans-58.7-38.4179.6-175178.4180-179.20112.5H107 E108 A115 L148H107-K111 VanDerWaalsContact O-CB 3.27Å; H107-K111 WeakPolarHBondContact O-CB 3.48Å; H107-K111 PolarHBondContact O-N 3.38Å; E108-K111 PolarHBondContact O-N 3.45Å; K111-A115 PolarHBondContact O-N 2.86Å; K111-A115 VanDerWaalsContact O-N 3.16Å; K111-L148 HydrophobicContact CB-CD1 4.33Å
112R71.9Confident74.9Confident33 Ų3328.3 Ų28.313%0.12515%0.151CC..Hα-helixtrans-68.5-44.2174.8-70.4157.7158.6-153.3-13.9111.6E108 K109 T110 C114 A115 Y116 Y269 F273 S276 H277 N278 S279E108-R112 VanDerWaalsContact O-CD 3.29Å; E108-R112 WeakPolarHBondContact O-CD 3.17Å; E108-R112 WeakPolarHBondContact O-CG 3.31Å; E108-R112 PolarHBondContact O-N 2.88Å; K109-R112 PolarHBondContact O-N 3.27Å; T110-R112 VanDerWaalsContact C-N 3.27Å; T110-R112 PolarHBondContact O-N 3.37Å; R112-C114 PolarHBondContact O-N 2.96Å; R112-A115 WeakPolarHBondContact O-CB 3.5Å; R112-A115 PolarHBondContact O-N 3.41Å; R112-A115 VanDerWaalsContact O-N 3.16Å; R112-Y116 PolarHBondContact O-N 3.38Å; R112-Y269 PolarHBondContact O-OH 2.77Å; R112-F273 HydrophobicContact CB-CD1 4.35Å; R112-F273 HydrophobicContact CB-CE1 3.97Å; R112-F273 VanDerWaalsContact CD-CE1 3.5Å; R112-F273 HydrophobicContact CG-CE1 4.06Å; R112-S276 PolarHBondContact NH1-O 3.05Å; R112-S276 VanDerWaalsContact NH1-O 3.1Å; R112-H277 PolarHBondContact NH2-O 3.1Å; R112-N278 VanDerWaalsContact NH2-CA 3.26Å; R112-S279 PolarHBondContact NH2-OG 2.85Å
113L74.9Confident73.1Confident8 Ų833.8 Ų33.84%0.04217%0.172CC..Hα-helixtrans-61.2-43175.3-177.658.7000112.1L52 K55 L56 K109 T110 A115 Y116 L117 L266 L270L52-L113 HydrophobicContact CD1-CD1 4.41Å; L52-L113 HydrophobicContact CD1-CD2 4.2Å; K55-L113 HydrophobicContact CB-CD2 4.31Å; L56-L113 HydrophobicContact CB-CD2 4.3Å; L56-L113 HydrophobicContact CD1-CD2 4.26Å; L56-L113 HydrophobicContact CD1-CG 4.34Å; K109-L113 PolarHBondContact O-N 3.41Å; T110-L113 WeakPolarHBondContact O-CB 3.46Å; T110-L113 PolarHBondContact O-N 3.28Å; T110-L113 VanDerWaalsContact O-N 3.12Å; L113-A115 VanDerWaalsContact C-N 3.31Å; L113-A115 PolarHBondContact O-N 3.41Å; L113-Y116 WeakPolarHBondContact O-CB 3.42Å; L113-Y116 PolarHBondContact O-N 2.96Å; L113-L117 HydrophobicContact CD1-CD1 4.23Å; L113-L117 HydrophobicContact CD1-CG 4.19Å; L113-L117 HydrophobicContact CG-CD1 4.07Å; L113-L117 HydrophobicContact CG-CG 4.46Å; L113-L117 WeakPolarHBondContact O-CG 3.5Å; L113-L117 PolarHBondContact O-N 3.33Å; L113-L266 HydrophobicContact CD1-CD1 3.88Å; L113-L270 HydrophobicContact CD1-CD2 4.11Å
114C76.5Confident71.2Confident0 Ų035.1 Ų35.10%018%0.182CC..Hα-helixtrans-57.2-44.7172.8-66.50000111.5L56 T110 R112 L117 G118 T141 K145L56-C114 VanDerWaalsContact CD1-SG 3.52Å; T110-C114 PolarHBondContact O-N 3.35Å; T110-C114 PolarHBondContact O-SG 3.12Å; R112-C114 PolarHBondContact O-N 2.96Å; C114-L117 PolarHBondContact O-N 3.33Å; C114-G118 PolarHBondContact O-N 3.34Å; C114-T141 HydrophobicContact CB-CG2 3.97Å; C114-K145 HydrophobicContact CB-CB 4.3Å; C114-K145 HydrophobicContact CB-CD 4.38Å; C114-K145 HydrophobicContact CB-CG 4.42Å
115A73.8Confident69.2Low39 Ų3937.9 Ų37.932%0.32219%0.194SC..Hα-helixtrans-65.1-38.5178.500000112.5K111 R112 L113 N119K111-A115 PolarHBondContact O-N 2.86Å; K111-A115 VanDerWaalsContact O-N 3.16Å; R112-A115 WeakPolarHBondContact O-CB 3.5Å; R112-A115 PolarHBondContact O-N 3.41Å; R112-A115 VanDerWaalsContact O-N 3.16Å; L113-A115 VanDerWaalsContact C-N 3.31Å; L113-A115 PolarHBondContact O-N 3.41Å; A115-N119 VanDerWaalsContact O-CG 3.28Å; A115-N119 PolarHBondContact O-N 3.43Å; A115-N119 PolarHBondContact O-ND2 3.5Å
116Y71Confident67.7Low5 Ų543 Ų432%0.0223%0.226CC..Hα-helixtrans-60.1-54.1172.1178.8-85.2000111.4R112 L113 G118 N119 V120 F263 P264 L266 Y269R112-Y116 PolarHBondContact O-N 3.38Å; L113-Y116 WeakPolarHBondContact O-CB 3.42Å; L113-Y116 PolarHBondContact O-N 2.96Å; Y116-G118 VanDerWaalsContact C-N 3.29Å; Y116-G118 PolarHBondContact O-N 2.86Å; Y116-N119 PolarHBondContact O-N 3.45Å; Y116-N119 VanDerWaalsContact O-N 3.09Å; Y116-V120 HydrophobicContact CD1-CG2 3.97Å; Y116-V120 HydrophobicContact CE1-CG2 3.53Å; Y116-V120 HydrophobicContact CE2-CG2 4.38Å; Y116-V120 HydrophobicContact CG-CG2 4.5Å; Y116-V120 WeakPolarHBondContact O-CG2 3.34Å; Y116-V120 PolarHBondContact O-N 3.17Å; Y116-F263 AromaticContact CD2-CD1 3.63Å; Y116-F263 HydrophobicContact CD2-CD1 3.63Å; Y116-F263 AromaticContact CD2-CE1 3.21Å; Y116-F263 HydrophobicContact CD2-CE1 3.21Å; Y116-F263 HydrophobicContact CD2-CZ 4.16Å; Y116-F263 AromaticContact CE2-CD1 3.16Å; Y116-F263 HydrophobicContact CE2-CD1 3.16Å; Y116-F263 AromaticContact CE2-CE1 3.31Å; Y116-F263 HydrophobicContact CE2-CE1 3.31Å; Y116-F263 HydrophobicContact CE2-CG 4.31Å; Y116-F263 HydrophobicContact CG-CE1 4.27Å; Y116-F263 AromaticContact CZ-CD1 3.93Å; Y116-P264 PolarHBondContact OH-O 2.94Å; Y116-L266 HydrophobicContact CD1-CD1 3.65Å; Y116-L266 HydrophobicContact CE1-CB 4.17Å; Y116-L266 HydrophobicContact CE1-CD1 3.41Å; Y116-L266 VanDerWaalsContact CE1-CD1 3.41Å; Y116-L266 HydrophobicContact CE1-CG 4.32Å; Y116-L266 HydrophobicContact CG-CD1 4.43Å; Y116-L266 PolarHBondContact OH-N 2.56Å; Y116-Y269 AromaticContact CD2-CD1 3.5Å; Y116-Y269 HydrophobicContact CD2-CD1 3.5Å; Y116-Y269 AromaticContact CD2-CD2 3.31Å; Y116-Y269 HydrophobicContact CD2-CD2 3.31Å; Y116-Y269 AromaticContact CD2-CE1 3.54Å; Y116-Y269 HydrophobicContact CD2-CE1 3.54Å; Y116-Y269 AromaticContact CD2-CE2 3.33Å; Y116-Y269 HydrophobicContact CD2-CE2 3.33Å; Y116-Y269 AromaticContact CD2-CG 3.4Å; Y116-Y269 HydrophobicContact CD2-CG 3.4Å; Y116-Y269 AromaticContact CD2-CZ 3.46Å; Y116-Y269 VanDerWaalsContact CD2-CZ 3.46Å; Y116-Y269 AromaticContact CE2-CD1 3.89Å; Y116-Y269 HydrophobicContact CE2-CD1 3.89Å; Y116-Y269 AromaticContact CE2-CD2 3.47Å; Y116-Y269 HydrophobicContact CE2-CD2 3.47Å; Y116-Y269 VanDerWaalsContact CE2-CD2 3.47Å; Y116-Y269 HydrophobicContact CE2-CE1 4.38Å; Y116-Y269 AromaticContact CE2-CE2 3.99Å; Y116-Y269 HydrophobicContact CE2-CE2 3.99Å; Y116-Y269 AromaticContact CE2-CG 3.41Å; Y116-Y269 HydrophobicContact CE2-CG 3.41Å; Y116-Y269 VanDerWaalsContact CE2-CG 3.41Å; Y116-Y269 AromaticContact CG-CD1 3.88Å; Y116-Y269 HydrophobicContact CG-CD1 3.88Å; Y116-Y269 HydrophobicContact CG-CD2 4.4Å; Y116-Y269 AromaticContact CG-CE1 3.71Å; Y116-Y269 HydrophobicContact CG-CE1 3.71Å; Y116-Y269 HydrophobicContact CG-CE2 4.24Å; Y116-Y269 HydrophobicContact CG-CG 4.24Å; Y116-Y269 AromaticContact CG-CZ 3.9Å
117L71.1Confident66Low6 Ų647.9 Ų47.93%0.03125%0.253CS..Hα-helixtrans-63.3-35-175.8-69.7173.7000112.4L36 K39 L56 L113 C114 S121L36-L117 HydrophobicContact CD2-CD1 4.49Å; K39-L117 PolarHBondContact NZ-O 3.26Å; L56-L117 HydrophobicContact CD1-CD1 4.35Å; L113-L117 HydrophobicContact CD1-CD1 4.23Å; L113-L117 HydrophobicContact CD1-CG 4.19Å; L113-L117 HydrophobicContact CG-CD1 4.07Å; L113-L117 HydrophobicContact CG-CG 4.46Å; L113-L117 WeakPolarHBondContact O-CG 3.5Å; L113-L117 PolarHBondContact O-N 3.33Å; C114-L117 PolarHBondContact O-N 3.33Å; L117-S121 VanDerWaalsContact O-CB 3.32Å; L117-S121 WeakPolarHBondContact O-CB 3.41Å; L117-S121 PolarHBondContact O-N 3.34Å; L117-S121 VanDerWaalsContact O-N 3.12Å
118G68.5Low64.2Low14 Ų1451.8 Ų51.814%0.14427%0.27CS..Hα-helixtrans-63.2-45.9172.100000112.3C114 Y116 S121 C122C114-G118 PolarHBondContact O-N 3.34Å; Y116-G118 VanDerWaalsContact C-N 3.29Å; Y116-G118 PolarHBondContact O-N 2.86Å; G118-S121 WeakPolarHBondContact O-CB 3.45Å; G118-S121 PolarHBondContact O-N 3.5Å; G118-C122 PolarHBondContact O-N 3.23Å; G118-C122 PolarHBondContact O-SG 3.12Å; G118-C122 VanDerWaalsContact O-SG 3.37Å
119N67.2Low62.9Low90 Ų9059.6 Ų59.648%0.48130%0.303SS..Hα-helixtrans-67.7-39.1-179.7-72.3-23.7000113.3A115 Y116 R123 F263A115-N119 VanDerWaalsContact O-CG 3.28Å; A115-N119 PolarHBondContact O-N 3.43Å; A115-N119 PolarHBondContact O-ND2 3.5Å; Y116-N119 PolarHBondContact O-N 3.45Å; Y116-N119 VanDerWaalsContact O-N 3.09Å; N119-R123 PolarHBondContact O-N 3.2Å; N119-F263 HydrophobicContact CB-CE2 4.07Å; N119-F263 HydrophobicContact CB-CZ 4.36Å
120V65.6Low61.7Low18 Ų1861.7 Ų61.711%0.10933%0.325CS..Hα-helixtrans-68.3-39.3177.2176.40000111.2I44 Y116 C122 R123 S124 F263I44-V120 HydrophobicContact CD1-CG1 3.79Å; I44-V120 HydrophobicContact CG1-CG1 4.37Å; I44-V120 HydrophobicContact CG2-CG1 4.25Å; Y116-V120 HydrophobicContact CD1-CG2 3.97Å; Y116-V120 HydrophobicContact CE1-CG2 3.53Å; Y116-V120 HydrophobicContact CE2-CG2 4.38Å; Y116-V120 HydrophobicContact CG-CG2 4.5Å; Y116-V120 WeakPolarHBondContact O-CG2 3.34Å; Y116-V120 PolarHBondContact O-N 3.17Å; V120-C122 PolarHBondContact O-N 3.5Å; V120-R123 PolarHBondContact O-N 3.25Å; V120-S124 PolarHBondContact O-N 3.08Å; V120-S124 VanDerWaalsContact O-N 3.12Å; V120-F263 HydrophobicContact CG2-CD1 4.5Å; V120-F263 HydrophobicContact CG2-CG 4.35Å
121S61Low60Low5 Ų568.9 Ų68.94%0.03536%0.363CS..Hα-helixtrans-54.4-51.9175.8-165.10000111.7L117 G118 R123 S124 M125 N138L117-S121 VanDerWaalsContact O-CB 3.32Å; L117-S121 WeakPolarHBondContact O-CB 3.41Å; L117-S121 PolarHBondContact O-N 3.34Å; L117-S121 VanDerWaalsContact O-N 3.12Å; G118-S121 WeakPolarHBondContact O-CB 3.45Å; G118-S121 PolarHBondContact O-N 3.5Å; S121-R123 PolarHBondContact O-N 3.15Å; S121-S124 PolarHBondContact O-N 3.18Å; S121-S124 PolarHBondContact O-OG 3.21Å; S121-M125 PolarHBondContact O-N 3.11Å; S121-N138 VanDerWaalsContact CB-OD1 3.31Å; S121-N138 WeakPolarHBondContact CB-OD1 3.34Å; S121-N138 PolarHBondContact OG-OD1 3.1Å
122C52.1Low58.3Low60 Ų6071.9 Ų71.941%0.40538%0.379SS..Hα-helixtrans-57.4-33.6179.1-66.40000113.4G118 V120 N138G118-C122 PolarHBondContact O-N 3.23Å; G118-C122 PolarHBondContact O-SG 3.12Å; G118-C122 VanDerWaalsContact O-SG 3.37Å; V120-C122 PolarHBondContact O-N 3.5Å; C122-N138 PolarHBondContact SG-ND2 3.41Å
123R51.7Low56.9Low117 Ų11777.1 Ų77.144%0.44242%0.415SS..Hα-helixtrans-77.7-38.9179.4-72-175.4176-168.7-4.1113.1N119 V120 S121 M125 V126N119-R123 PolarHBondContact O-N 3.2Å; V120-R123 PolarHBondContact O-N 3.25Å; S121-R123 PolarHBondContact O-N 3.15Å; R123-M125 PolarHBondContact O-N 2.86Å; R123-V126 PolarHBondContact O-N 3.28Å; R123-V126 VanDerWaalsContact O-N 3.15Å
124S51.9Low55.4Low32 Ų3284 Ų8422%0.22445%0.45CS..Hα-helixtrans-62.6-31.5176.571.90000112.6V120 S121 V126 L127 K128V120-S124 PolarHBondContact O-N 3.08Å; V120-S124 VanDerWaalsContact O-N 3.12Å; S121-S124 PolarHBondContact O-N 3.18Å; S121-S124 PolarHBondContact O-OG 3.21Å; S124-V126 VanDerWaalsContact C-N 3.34Å; S124-V126 PolarHBondContact O-N 2.81Å; S124-L127 PolarHBondContact O-N 3.08Å; S124-K128 PolarHBondContact O-N 3.43Å
125M45.4Very low53.8Low77 Ų7785.1 Ų85.138%0.37946%0.461SS..Hα-helixtrans-65-33.6174.2-81.3180167.300113.2S121 R123 L127 Y137S121-M125 PolarHBondContact O-N 3.11Å; R123-M125 PolarHBondContact O-N 2.86Å; M125-L127 PolarHBondContact O-N 3.29Å; M125-Y137 HydrophobicContact CE-CD2 3.76Å; M125-Y137 HydrophobicContact CE-CG 4.37Å
126V48.8Very low52.5Low126 Ų12689 Ų8976%0.76448%0.476SS*.Hα-helixtrans-69.9-21.4178.2179.60000111.5R123 S124R123-V126 PolarHBondContact O-N 3.28Å; R123-V126 VanDerWaalsContact O-N 3.15Å; S124-V126 VanDerWaalsContact C-N 3.34Å; S124-V126 PolarHBondContact O-N 2.81Å
127L47.1Very low51.4Low153 Ų15393.2 Ų93.280%0.80149%0.493SS*.Hα-helixtrans-96-18.7-175.4-68.7166.5000114.3S124 M125S124-L127 PolarHBondContact O-N 3.08Å; M125-L127 PolarHBondContact O-N 3.29Å
128K43Very low50.5Low107 Ų10795.6 Ų95.647%0.46551%0.506SS..SBendtrans-96.1138.1177.7-72.5-171.2177.6-176.40111.1S124S124-K128 PolarHBondContact O-N 3.43Å
129K44.8Very low50.1Low191 Ų19197.2 Ų97.283%0.8351%0.513SS*.  trans-51.1140.8-172.7-73.6178.6176.8177.40112.3N131K129-N131 PolarHBondContact O-N 3.36Å
130P51.2Low50.1Low123 Ų12395.6 Ų95.680%0.79951%0.505SS*.THydrogen-bonded Turntrans-71.25.8-164.127.4-36.3000117.3
131N44.1Very low50.1Low156 Ų15695.3 Ų95.383%0.83450%0.503SS*.THydrogen-bonded Turntrans-109.66.7-171.2-70.76.4000114.9K129K129-N131 PolarHBondContact O-N 3.36Å
132E42.1Very low50.5Low150 Ų15099.4 Ų99.470%0.70152%0.521SS*.SBendtrans-88.7123.3164.8-75.1-178.917800109I134E132-I134 PolarHBondContact O-N 3.06Å; E132-I134 VanDerWaalsContact O-N 3.16Å
133T43Very low51.5Low143 Ų143101.2 Ų101.288%0.87753%0.527SS*.  trans-47121.9179.520000109.8G135T133-G135 VanDerWaalsContact C-N 3.26Å; T133-G135 PolarHBondContact O-N 2.9Å
134I43.4Very low52.7Low152 Ų15296 Ų9678%0.77951%0.507SS*.  trans-57.287.7-178.1-56.9165000108.3E132 N136E132-I134 PolarHBondContact O-N 3.06Å; E132-I134 VanDerWaalsContact O-N 3.16Å; I134-N136 PolarHBondContact O-N 3.43Å
135G43Very low54Low24 Ų2497.6 Ų97.625%0.24751%0.51CS..  trans-57.3139.6167.700000107.9T133 Y137T133-G135 VanDerWaalsContact C-N 3.26Å; T133-G135 PolarHBondContact O-N 2.9Å; G135-Y137 VanDerWaalsContact C-CD2 3.48Å; G135-Y137 WeakPolarHBondContact O-CD2 3.35Å; G135-Y137 PolarHBondContact O-N 3.17Å
136N45.8Very low55.6Low119 Ų11996.9 Ų96.964%0.63651%0.512SS*.  trans-74.242.7-172-142.43.8000112.1I134 N138 T139I134-N136 PolarHBondContact O-N 3.43Å; N136-N138 PolarHBondContact O-N 3.35Å; N136-T139 HydrophobicContact CB-CG2 4.19Å; N136-T139 WeakPolarHBondContact O-CB 3.22Å; N136-T139 PolarHBondContact O-N 3.24Å; N136-T139 PolarHBondContact O-OG1 3.38Å; N136-T139 VanDerWaalsContact OD1-CG2 3.25Å; N136-T139 WeakPolarHBondContact OD1-CG2 3.48Å
137Y47.7Very low57.3Low94 Ų9492.4 Ų92.437%0.36948%0.483SS..THydrogen-bonded Turntrans-60.1-20.2-165.6-66.7-71.1000115.5E35 M125 G135E35-Y137 HydrophobicContact CB-CD1 3.79Å; E35-Y137 HydrophobicContact CB-CE1 4.17Å; E35-Y137 HydrophobicContact CG-CD1 3.64Å; E35-Y137 HydrophobicContact CG-CE1 3.93Å; E35-Y137 WeakPolarHBondContact OE1-CA 3.42Å; E35-Y137 VanDerWaalsContact OE1-CD1 3.31Å; E35-Y137 WeakPolarHBondContact OE1-CD1 3.35Å; M125-Y137 HydrophobicContact CE-CD2 3.76Å; M125-Y137 HydrophobicContact CE-CG 4.37Å; G135-Y137 VanDerWaalsContact C-CD2 3.48Å; G135-Y137 WeakPolarHBondContact O-CD2 3.35Å; G135-Y137 PolarHBondContact O-N 3.17Å
138N52.7Low59Low57 Ų5785.3 Ų85.331%0.30545%0.446SS..THydrogen-bonded Turntrans-84.9-14.2177.5-75.3-13.3000112.8S121 C122 N136 E142S121-N138 VanDerWaalsContact CB-OD1 3.31Å; S121-N138 WeakPolarHBondContact CB-OD1 3.34Å; S121-N138 PolarHBondContact OG-OD1 3.1Å; C122-N138 PolarHBondContact SG-ND2 3.41Å; N136-N138 PolarHBondContact O-N 3.35Å; N138-E142 PolarHBondContact O-N 3.39Å
139T60.2Low61Low48 Ų4882.7 Ų82.729%0.29444%0.439SS..Hα-helixtrans-72.8-43.3-17257.30000112.4N136 T141 E142 L143N136-T139 HydrophobicContact CB-CG2 4.19Å; N136-T139 WeakPolarHBondContact O-CB 3.22Å; N136-T139 PolarHBondContact O-N 3.24Å; N136-T139 PolarHBondContact O-OG1 3.38Å; N136-T139 VanDerWaalsContact OD1-CG2 3.25Å; N136-T139 WeakPolarHBondContact OD1-CG2 3.48Å; T139-T141 PolarHBondContact O-N 3.26Å; T139-E142 PolarHBondContact O-N 3.46Å; T139-L143 WeakPolarHBondContact O-CB 3.44Å; T139-L143 WeakPolarHBondContact O-CG 3.3Å; T139-L143 PolarHBondContact O-N 2.9Å
140D66.9Low63.1Low56 Ų5676.9 Ų76.930%0.29941%0.414SS..Hα-helixtrans-65.9-38.9-175.5-79.6-1.8000113.5N33 F144N33-D140 WeakPolarHBondContact ND2-CB 3.36Å; N33-D140 PolarHBondContact ND2-OD2 3.27Å; D140-F144 WeakPolarHBondContact O-CB 3.26Å; D140-F144 PolarHBondContact O-N 3.05Å
141T67Low64.9Low11 Ų1171 Ų717%0.06738%0.376CS..Hα-helixtrans-70.7-41.6178.2-57.80000111.7C114 T139 F144 K145C114-T141 HydrophobicContact CB-CG2 3.97Å; T139-T141 PolarHBondContact O-N 3.26Å; T141-F144 PolarHBondContact O-N 3.28Å; T141-K145 VanDerWaalsContact O-CB 3.31Å; T141-K145 WeakPolarHBondContact O-CB 3.44Å; T141-K145 PolarHBondContact O-N 3.21Å
142E69.4Low67Low92 Ų9265.8 Ų65.843%0.4335%0.349SS..Hα-helixtrans-69.8-37175.4-76.6-65.3140.500111.7N138 T139 K145 S146N138-E142 PolarHBondContact O-N 3.39Å; T139-E142 PolarHBondContact O-N 3.46Å; E142-K145 VanDerWaalsContact CD-NZ 3.34Å; E142-K145 PolarHBondContact O-N 3.02Å; E142-K145 IonicContact OE1-NZ 3.54Å; E142-K145 PolarHBondContact OE1-NZ 2.62Å; E142-K145 IonicContact OE2-NZ 3.15Å; E142-K145 PolarHBondContact OE2-NZ 3.17Å; E142-S146 PolarHBondContact O-N 2.77Å
143L72.3Confident69.3Low98 Ų9866.2 Ų66.251%0.51335%0.345SS..Hα-helixtrans-58.7-52.6170.8-76.6171.9000109.7T139 K145 S146 Q147T139-L143 WeakPolarHBondContact O-CB 3.44Å; T139-L143 WeakPolarHBondContact O-CG 3.3Å; T139-L143 PolarHBondContact O-N 2.9Å; L143-K145 VanDerWaalsContact C-N 3.35Å; L143-K145 PolarHBondContact O-N 3.06Å; L143-S146 WeakPolarHBondContact O-CB 3.24Å; L143-S146 PolarHBondContact O-N 3.48Å; L143-S146 VanDerWaalsContact O-N 3.1Å; L143-S146 PolarHBondContact O-OG 3.05Å; L143-Q147 WeakPolarHBondContact O-CG 3.44Å; L143-Q147 PolarHBondContact O-N 3.05Å
144F77.8Confident71.7Confident7 Ų760 Ų603%0.03131%0.305CS..Hα-helixtrans-56.1-47.6177176.6-118.1000112.3V26 V30 L56 L57 W60 T110 D140 T141 S146 Q147 L148V26-F144 HydrophobicContact CG1-CD2 3.47Å; V26-F144 VanDerWaalsContact CG1-CD2 3.47Å; V26-F144 HydrophobicContact CG1-CE2 3.66Å; V30-F144 HydrophobicContact CG2-CB 4.47Å; V30-F144 HydrophobicContact CG2-CD2 3.8Å; V30-F144 HydrophobicContact CG2-CE2 4.17Å; V30-F144 HydrophobicContact CG2-CG 4.07Å; L56-F144 HydrophobicContact CD1-CD1 4.09Å; L56-F144 HydrophobicContact CD1-CE1 3.83Å; L56-F144 HydrophobicContact CD2-CD1 4.32Å; L56-F144 HydrophobicContact CD2-CE1 4.36Å; L56-F144 HydrophobicContact CG-CD1 4.03Å; L56-F144 HydrophobicContact CG-CE1 3.64Å; L56-F144 HydrophobicContact CG-CZ 4.46Å; L56-F144 WeakPolarHBondContact O-CE1 3.46Å; L56-F144 WeakPolarHBondContact O-CZ 3.33Å; L57-F144 HydrophobicContact CD2-CE2 4.04Å; L57-F144 HydrophobicContact CD2-CZ 4.17Å; W60-F144 HydrophobicContact CE3-CE2 4.25Å; W60-F144 HydrophobicContact CZ3-CE2 4.34Å; T110-F144 HydrophobicContact CG2-CE1 3.59Å; T110-F144 HydrophobicContact CG2-CZ 4.12Å; D140-F144 WeakPolarHBondContact O-CB 3.26Å; D140-F144 PolarHBondContact O-N 3.05Å; T141-F144 PolarHBondContact O-N 3.28Å; F144-S146 VanDerWaalsContact C-N 3.25Å; F144-S146 PolarHBondContact O-N 3.28Å; F144-Q147 WeakPolarHBondContact O-CA 3.16Å; F144-Q147 WeakPolarHBondContact O-CB 3.29Å; F144-Q147 PolarHBondContact O-N 2.89Å; F144-L148 HydrophobicContact CD1-CD2 4.46Å; F144-L148 HydrophobicContact CE1-CD2 3.79Å; F144-L148 HydrophobicContact CE1-CG 4.5Å; F144-L148 HydrophobicContact CE2-CD2 4.05Å; F144-L148 HydrophobicContact CZ-CD2 3.57Å; F144-L148 PolarHBondContact O-N 3.08Å
145K77.4Confident74.1Confident65 Ų6553.1 Ų53.128%0.28327%0.269SS..Hα-helixtrans-56.3-37.9176.8-178.3-172.9172.6-160.80112.7C114 T141 E142 L143 Q147 L148C114-K145 HydrophobicContact CB-CB 4.3Å; C114-K145 HydrophobicContact CB-CD 4.38Å; C114-K145 HydrophobicContact CB-CG 4.42Å; T141-K145 VanDerWaalsContact O-CB 3.31Å; T141-K145 WeakPolarHBondContact O-CB 3.44Å; T141-K145 PolarHBondContact O-N 3.21Å; E142-K145 VanDerWaalsContact CD-NZ 3.34Å; E142-K145 PolarHBondContact O-N 3.02Å; E142-K145 IonicContact OE1-NZ 3.54Å; E142-K145 PolarHBondContact OE1-NZ 2.62Å; E142-K145 IonicContact OE2-NZ 3.15Å; E142-K145 PolarHBondContact OE2-NZ 3.17Å; L143-K145 VanDerWaalsContact C-N 3.35Å; L143-K145 PolarHBondContact O-N 3.06Å; K145-Q147 VanDerWaalsContact C-N 3.27Å; K145-Q147 PolarHBondContact O-N 3.33Å; K145-L148 WeakPolarHBondContact O-CB 3.49Å; K145-L148 PolarHBondContact O-N 3.27Å
146S80.5Confident76.3Confident62 Ų6256.3 Ų56.343%0.43428%0.278SS..Hα-helixtrans-65.8-28.5174.578.60000113.1E142 L143 F144E142-S146 PolarHBondContact O-N 2.77Å; L143-S146 WeakPolarHBondContact O-CB 3.24Å; L143-S146 PolarHBondContact O-N 3.48Å; L143-S146 VanDerWaalsContact O-N 3.1Å; L143-S146 PolarHBondContact O-OG 3.05Å; F144-S146 VanDerWaalsContact C-N 3.25Å; F144-S146 PolarHBondContact O-N 3.28Å
147Q84.4Confident78.6Confident33 Ų3352.3 Ų52.315%0.15426%0.26CS..Hα-helixtrans-79.5-19.4179.2-52.8-53.6-62.500113.3V26 W60 L143 F144 K145 T149 K150V26-Q147 HydrophobicContact CG2-CB 4.19Å; V26-Q147 HydrophobicContact CG2-CG 3.85Å; W60-Q147 HydrophobicContact CH2-CB 4.2Å; L143-Q147 WeakPolarHBondContact O-CG 3.44Å; L143-Q147 PolarHBondContact O-N 3.05Å; F144-Q147 WeakPolarHBondContact O-CA 3.16Å; F144-Q147 WeakPolarHBondContact O-CB 3.29Å; F144-Q147 PolarHBondContact O-N 2.89Å; K145-Q147 VanDerWaalsContact C-N 3.27Å; K145-Q147 PolarHBondContact O-N 3.33Å; Q147-T149 PolarHBondContact O-N 2.97Å; Q147-K150 VanDerWaalsContact O-CB 3.27Å; Q147-K150 WeakPolarHBondContact O-CB 3.42Å; Q147-K150 WeakPolarHBondContact O-CG 3.23Å; Q147-K150 PolarHBondContact O-N 3.05Å
148L82.7Confident80.8Confident4 Ų447.9 Ų47.92%0.02124%0.242CC..THydrogen-bonded Turntrans-60.2-20.3-175.9-65.3175.8000114W60 Y103 H107 T110 K111 F144 K145 K150W60-L148 HydrophobicContact CZ3-CD2 4.5Å; Y103-L148 VanDerWaalsContact OH-C 3.28Å; Y103-L148 WeakPolarHBondContact OH-CA 3.35Å; Y103-L148 PolarHBondContact OH-O 2.94Å; H107-L148 VanDerWaalsContact CE1-CB 3.42Å; H107-L148 WeakPolarHBondContact CE1-CB 3.32Å; H107-L148 PolarHBondContact CE1-O 3.27Å; H107-L148 PolarHBondContact ND1-O 3.25Å; T110-L148 HydrophobicContact CG2-CD1 3.79Å; T110-L148 HydrophobicContact CG2-CD2 3.67Å; T110-L148 HydrophobicContact CG2-CG 4.38Å; K111-L148 HydrophobicContact CB-CD1 4.33Å; F144-L148 HydrophobicContact CD1-CD2 4.46Å; F144-L148 HydrophobicContact CE1-CD2 3.79Å; F144-L148 HydrophobicContact CE1-CG 4.5Å; F144-L148 HydrophobicContact CE2-CD2 4.05Å; F144-L148 HydrophobicContact CZ-CD2 3.57Å; F144-L148 PolarHBondContact O-N 3.08Å; K145-L148 WeakPolarHBondContact O-CB 3.49Å; K145-L148 PolarHBondContact O-N 3.27Å; L148-K150 VanDerWaalsContact C-N 3.35Å
149T84.1Confident82.6Confident52 Ų5248 Ų4832%0.31924%0.241SC..THydrogen-bonded Turntrans-82.1-15.2176.360.90000113.2Q147 V152 R153Q147-T149 PolarHBondContact O-N 2.97Å; T149-V152 PolarHBondContact O-N 3.28Å; T149-R153 WeakPolarHBondContact O-CG 3.29Å; T149-R153 PolarHBondContact O-N 2.95Å; T149-R153 VanDerWaalsContact O-N 3.14Å
150K88.4Confident84.2Confident69 Ų6949.1 Ų49.130%0.325%0.247SC..Hα-helixtrans-66.4-40-171.6-66.3-169.1171.6-176.80113.8L22 Q147 L148 V152 R153 R154L22-K150 HydrophobicContact CD1-CD 3.96Å; L22-K150 HydrophobicContact CD2-CB 4.11Å; L22-K150 HydrophobicContact CD2-CD 3.33Å; L22-K150 HydrophobicContact CD2-CG 4.36Å; L22-K150 HydrophobicContact CG-CD 4.19Å; Q147-K150 VanDerWaalsContact O-CB 3.27Å; Q147-K150 WeakPolarHBondContact O-CB 3.42Å; Q147-K150 WeakPolarHBondContact O-CG 3.23Å; Q147-K150 PolarHBondContact O-N 3.05Å; L148-K150 VanDerWaalsContact C-N 3.35Å; K150-V152 PolarHBondContact O-N 3.24Å; K150-R153 PolarHBondContact O-N 3.15Å; K150-R154 PolarHBondContact O-N 3.16Å
151P90.8Very high85.5Confident0 Ų047.1 Ų47.10%024%0.236CC..Hα-helixtrans-61.5-45.1175.5-28.238.7000113.1Y19 L23 W60 L63 Y100 Y103 R153 R154 I155Y19-P151 WeakPolarHBondContact OH-CA 3.12Å; Y19-P151 WeakPolarHBondContact OH-CB 3.24Å; L23-P151 HydrophobicContact CD2-CG 4.45Å; W60-P151 HydrophobicContact CH2-CG 4.37Å; W60-P151 HydrophobicContact CZ3-CG 4.01Å; L63-P151 HydrophobicContact CD1-CB 3.84Å; L63-P151 HydrophobicContact CD1-CG 3.85Å; Y100-P151 HydrophobicContact CE1-CB 3.9Å; Y100-P151 WeakPolarHBondContact CE1-O 3.42Å; Y103-P151 HydrophobicContact CD1-CB 3.99Å; Y103-P151 HydrophobicContact CE1-CB 3.63Å; Y103-P151 HydrophobicContact CE1-CG 3.89Å; Y103-P151 HydrophobicContact CE2-CB 4.31Å; Y103-P151 HydrophobicContact CE2-CG 3.95Å; Y103-P151 HydrophobicContact CG-CB 4.47Å; Y103-P151 WeakPolarHBondContact OH-CD 3.4Å; Y103-P151 WeakPolarHBondContact OH-CG 3.38Å; P151-R153 VanDerWaalsContact C-N 3.29Å; P151-R153 PolarHBondContact O-N 3.41Å; P151-R154 WeakPolarHBondContact O-CA 3.25Å; P151-R154 WeakPolarHBondContact O-CB 3.2Å; P151-R154 PolarHBondContact O-N 3.31Å; P151-I155 PolarHBondContact O-N 2.93Å
152V87.7Confident86.8Confident45 Ų4546.6 Ų46.627%0.27323%0.233SC..Hα-helixtrans-60-41.3177.4179.30000111.1Y103 T149 K150 R154 I155 Q156Y103-V152 HydrophobicContact CD1-CG2 4.3Å; Y103-V152 HydrophobicContact CE1-CG2 4.08Å; T149-V152 PolarHBondContact O-N 3.28Å; K150-V152 PolarHBondContact O-N 3.24Å; V152-R154 VanDerWaalsContact C-N 3.3Å; V152-R154 PolarHBondContact O-N 3.3Å; V152-I155 VanDerWaalsContact O-CG2 3.25Å; V152-I155 WeakPolarHBondContact O-CG2 3.44Å; V152-Q156 WeakPolarHBondContact O-CG 3.46Å; V152-Q156 PolarHBondContact O-N 3.49Å
153R90.6Very high88Confident160 Ų16044.4 Ų44.460%0.60423%0.225SC*.Hα-helixtrans-64.9-33.6173.5-67.8176.2-177-179.72.1112.5T149 K150 P151 S157T149-R153 WeakPolarHBondContact O-CG 3.29Å; T149-R153 PolarHBondContact O-N 2.95Å; T149-R153 VanDerWaalsContact O-N 3.14Å; K150-R153 PolarHBondContact O-N 3.15Å; P151-R153 VanDerWaalsContact C-N 3.29Å; P151-R153 PolarHBondContact O-N 3.41Å; R153-S157 WeakPolarHBondContact O-CB 3.45Å; R153-S157 PolarHBondContact O-N 3.08Å
154R93.8Very high89Confident13 Ų1343.6 Ų43.65%0.04922%0.217CC..Hα-helixtrans-66.6-47.1179177.564.4-174.5140.1-13.9111.9E16 Y19 K150 P151 V152 Q156 S157 Y158 L161E16-R154 IonicContact OE2-CZ 2.7Å; E16-R154 IonicContact OE2-NE 3.58Å; E16-R154 PolarHBondContact OE2-NE 3.46Å; E16-R154 IonicContact OE2-NH2 3.42Å; E16-R154 PolarHBondContact OE2-NH2 3.07Å; Y19-R154 HydrophobicContact CD1-CB 4.47Å; Y19-R154 HydrophobicContact CD1-CG 3.68Å; Y19-R154 HydrophobicContact CD2-CB 4.02Å; Y19-R154 HydrophobicContact CD2-CG 4.04Å; Y19-R154 HydrophobicContact CE1-CB 4.17Å; Y19-R154 HydrophobicContact CE1-CG 3.62Å; Y19-R154 HydrophobicContact CE2-CB 3.69Å; Y19-R154 HydrophobicContact CE2-CG 3.98Å; Y19-R154 HydrophobicContact CG-CB 4.39Å; Y19-R154 HydrophobicContact CG-CG 3.88Å; K150-R154 PolarHBondContact O-N 3.16Å; P151-R154 WeakPolarHBondContact O-CA 3.25Å; P151-R154 WeakPolarHBondContact O-CB 3.2Å; P151-R154 PolarHBondContact O-N 3.31Å; V152-R154 VanDerWaalsContact C-N 3.3Å; V152-R154 PolarHBondContact O-N 3.3Å; R154-Q156 VanDerWaalsContact C-N 3.25Å; R154-Q156 PolarHBondContact O-N 3.05Å; R154-S157 PolarHBondContact NH1-OG 2.97Å; R154-S157 PolarHBondContact O-N 2.93Å; R154-S157 VanDerWaalsContact O-N 3.08Å; R154-S157 PolarHBondContact O-OG 2.95Å; R154-Y158 HydrophobicContact CG-CE2 4.31Å; R154-Y158 VanDerWaalsContact CZ-CZ 3.49Å; R154-Y158 PolarHBondContact NH2-OH 3.26Å; R154-Y158 WeakPolarHBondContact O-CD2 3.27Å; R154-L161 VanDerWaalsContact NH1-CD1 3.3Å
155I91.8Very high89.8Confident6 Ų643.2 Ų43.23%0.03122%0.215CC..Hα-helixtrans-63.7-37.6-179.8-165.4175.7000111.1F96 Y100 P151 V152 S157 I187F96-I155 HydrophobicContact CB-CD1 4.46Å; F96-I155 HydrophobicContact CD1-CD1 4.36Å; F96-I155 HydrophobicContact CD1-CG1 4.39Å; Y100-I155 HydrophobicContact CD1-CB 4.04Å; Y100-I155 HydrophobicContact CD1-CD1 4.09Å; Y100-I155 HydrophobicContact CD1-CG2 3.98Å; Y100-I155 HydrophobicContact CD2-CB 4.49Å; Y100-I155 HydrophobicContact CD2-CD1 3.68Å; Y100-I155 HydrophobicContact CD2-CG1 4.41Å; Y100-I155 HydrophobicContact CE1-CB 3.81Å; Y100-I155 HydrophobicContact CE1-CG2 4.05Å; Y100-I155 HydrophobicContact CE2-CB 4.27Å; Y100-I155 HydrophobicContact CE2-CD1 4.18Å; Y100-I155 HydrophobicContact CE2-CG1 4.44Å; Y100-I155 HydrophobicContact CG-CB 4.35Å; Y100-I155 HydrophobicContact CG-CD1 3.59Å; Y100-I155 HydrophobicContact CG-CG1 4.48Å; P151-I155 PolarHBondContact O-N 2.93Å; V152-I155 VanDerWaalsContact O-CG2 3.25Å; V152-I155 WeakPolarHBondContact O-CG2 3.44Å; I155-S157 VanDerWaalsContact C-N 3.34Å; I155-S157 PolarHBondContact O-N 3.38Å; I155-I187 HydrophobicContact CD1-CG2 3.46Å; I155-I187 VanDerWaalsContact CD1-CG2 3.46Å; I155-I187 HydrophobicContact CG1-CG2 4.19Å
156Q90.5Very high90.6Very high92 Ų9241.7 Ų41.743%0.4321%0.209SC..Hα-helixtrans-67.7-31.3173.7-68.2172.8-26.300112.2V152 R154 Y158 H159V152-Q156 WeakPolarHBondContact O-CG 3.46Å; V152-Q156 PolarHBondContact O-N 3.49Å; R154-Q156 VanDerWaalsContact C-N 3.25Å; R154-Q156 PolarHBondContact O-N 3.05Å; Q156-Y158 VanDerWaalsContact C-N 3.26Å; Q156-Y158 PolarHBondContact O-N 3.34Å; Q156-H159 PolarHBondContact O-CD2 3.41Å; Q156-H159 PolarHBondContact O-NE2 3.5Å; Q156-H159 VanDerWaalsContact O-NE2 3.11Å
157S93.1Very high91.2Very high35 Ų3546.1 Ų46.125%0.24522%0.221CC..Hα-helixtrans-69.2-21.8-176.474.60000114.1R153 R154 I155 H159 V160 L161R153-S157 WeakPolarHBondContact O-CB 3.45Å; R153-S157 PolarHBondContact O-N 3.08Å; R154-S157 PolarHBondContact NH1-OG 2.97Å; R154-S157 PolarHBondContact O-N 2.93Å; R154-S157 VanDerWaalsContact O-N 3.08Å; R154-S157 PolarHBondContact O-OG 2.95Å; I155-S157 VanDerWaalsContact C-N 3.34Å; I155-S157 PolarHBondContact O-N 3.38Å; S157-H159 PolarHBondContact O-N 3.12Å; S157-V160 WeakPolarHBondContact O-CB 3.19Å; S157-V160 PolarHBondContact O-N 2.74Å; S157-V160 VanDerWaalsContact O-N 3.15Å; S157-L161 WeakPolarHBondContact O-CG 3.15Å; S157-L161 PolarHBondContact O-N 2.96Å
158Y94.5Very high91.6Very high0 Ų047.7 Ų47.70%023%0.228CC..Hα-helixtrans-59.2-43.6179-79.4-72.1000113.2E16 V71 W88 F96 R154 Q156 V160 L161 L162 F184E16-Y158 PolarHBondContact OE2-OH 3.02Å; V71-Y158 WeakPolarHBondContact CG1-OH 2.95Å; W88-Y158 HydrophobicContact CH2-CD1 4.18Å; W88-Y158 AromaticContact CH2-CE1 3.87Å; W88-Y158 HydrophobicContact CH2-CE1 3.87Å; F96-Y158 AromaticContact CE1-CE2 3.96Å; F96-Y158 HydrophobicContact CE1-CE2 3.96Å; F96-Y158 AromaticContact CZ-CE2 3.98Å; F96-Y158 HydrophobicContact CZ-CE2 3.98Å; R154-Y158 HydrophobicContact CG-CE2 4.31Å; R154-Y158 VanDerWaalsContact CZ-CZ 3.49Å; R154-Y158 PolarHBondContact NH2-OH 3.26Å; R154-Y158 WeakPolarHBondContact O-CD2 3.27Å; Q156-Y158 VanDerWaalsContact C-N 3.26Å; Q156-Y158 PolarHBondContact O-N 3.34Å; Y158-V160 PolarHBondContact O-N 3.44Å; Y158-L161 PolarHBondContact O-N 3.31Å; Y158-L162 WeakPolarHBondContact O-CB 3.42Å; Y158-L162 VanDerWaalsContact O-CG 3.22Å; Y158-L162 WeakPolarHBondContact O-CG 3.29Å; Y158-L162 PolarHBondContact O-N 3.43Å; Y158-F184 HydrophobicContact CD1-CE1 4.19Å; Y158-F184 HydrophobicContact CD1-CE2 4.45Å; Y158-F184 HydrophobicContact CD1-CZ 4.01Å; Y158-F184 AromaticContact CD2-CD1 3.92Å; Y158-F184 HydrophobicContact CD2-CD1 3.92Å; Y158-F184 AromaticContact CD2-CE1 3.44Å; Y158-F184 HydrophobicContact CD2-CE1 3.44Å; Y158-F184 VanDerWaalsContact CD2-CE1 3.44Å; Y158-F184 HydrophobicContact CD2-CZ 4.07Å; Y158-F184 HydrophobicContact CE2-CE1 4.14Å; Y158-F184 AromaticContact CG-CD1 3.82Å; Y158-F184 HydrophobicContact CG-CD1 3.82Å; Y158-F184 AromaticContact CG-CE1 3.47Å; Y158-F184 HydrophobicContact CG-CE1 3.47Å; Y158-F184 VanDerWaalsContact CG-CE1 3.47Å; Y158-F184 HydrophobicContact CG-CE2 4.32Å; Y158-F184 HydrophobicContact CG-CG 4.37Å; Y158-F184 AromaticContact CG-CZ 3.75Å; Y158-F184 HydrophobicContact CG-CZ 3.75Å
159H91.1Very high92.1Very high60 Ų6048.5 Ų48.528%0.27824%0.235SC..Hα-helixtrans-64.7-32.4179.277.676000111.7Q156 S157 N163 R181 F184 N185Q156-H159 PolarHBondContact O-CD2 3.41Å; Q156-H159 PolarHBondContact O-NE2 3.5Å; Q156-H159 VanDerWaalsContact O-NE2 3.11Å; S157-H159 PolarHBondContact O-N 3.12Å; H159-N163 VanDerWaalsContact O-CB 3.25Å; H159-N163 WeakPolarHBondContact O-CB 3.48Å; H159-N163 PolarHBondContact O-N 3.14Å; H159-R181 HydrophobicContact CB-CG 4.15Å; H159-F184 HydrophobicContact CB-CB 4.29Å; H159-N185 WeakPolarHBondContact CB-OD1 3.34Å; H159-N185 VanDerWaalsContact CG-OD1 3.29Å
160V93.1Very high92.4Very high71 Ų7150.5 Ų50.543%0.4324%0.244SC..Hα-helixtrans-70.7-45.6176.4-178.10000110.8S157 Y158 N163 K164S157-V160 WeakPolarHBondContact O-CB 3.19Å; S157-V160 PolarHBondContact O-N 2.74Å; S157-V160 VanDerWaalsContact O-N 3.15Å; Y158-V160 PolarHBondContact O-N 3.44Å; V160-N163 WeakPolarHBondContact O-CB 3.38Å; V160-N163 PolarHBondContact O-N 3.07Å; V160-K164 PolarHBondContact O-N 3.29Å
161L94Very high92.4Very high14 Ų1455 Ų557%0.07327%0.27CS..Hα-helixtrans-64.9-41.9179.2-67.5168.6000111.6L12 R154 S157 Y158 N163 K164 L165L12-L161 HydrophobicContact CD1-CB 4.01Å; L12-L161 HydrophobicContact CG-CB 4.33Å; L12-L161 HydrophobicContact CG-CD1 4.37Å; R154-L161 VanDerWaalsContact NH1-CD1 3.3Å; S157-L161 WeakPolarHBondContact O-CG 3.15Å; S157-L161 PolarHBondContact O-N 2.96Å; Y158-L161 PolarHBondContact O-N 3.31Å; L161-N163 VanDerWaalsContact C-N 3.33Å; L161-N163 PolarHBondContact O-N 2.73Å; L161-K164 WeakPolarHBondContact O-CB 3.45Å; L161-K164 PolarHBondContact O-N 3.35Å; L161-L165 PolarHBondContact O-N 2.89Å; L161-L165 VanDerWaalsContact O-N 3.08Å
162L95.2Very high92.4Very high1 Ų159 Ų591%0.00530%0.298CS..Hα-helixtrans-65.3-36.5175-68.7170.1000111.9L12 I85 Y158 K164 L165 Q166 A180 R181 F184L12-L162 HydrophobicContact CD1-CD2 4.4Å; I85-L162 HydrophobicContact CG2-CD2 3.58Å; Y158-L162 WeakPolarHBondContact O-CB 3.42Å; Y158-L162 VanDerWaalsContact O-CG 3.22Å; Y158-L162 WeakPolarHBondContact O-CG 3.29Å; Y158-L162 PolarHBondContact O-N 3.43Å; L162-K164 VanDerWaalsContact C-N 3.34Å; L162-L165 HydrophobicContact CD2-CD1 4.36Å; L162-L165 WeakPolarHBondContact O-CB 3.44Å; L162-L165 PolarHBondContact O-N 3.3Å; L162-Q166 WeakPolarHBondContact O-CB 3.48Å; L162-Q166 PolarHBondContact O-N 3.03Å; L162-A180 HydrophobicContact CD1-CB 4.03Å; L162-A180 HydrophobicContact CD2-CB 4.38Å; L162-R181 HydrophobicContact CB-CB 4.17Å; L162-F184 HydrophobicContact CD1-CD2 3.59Å; L162-F184 HydrophobicContact CD1-CE2 4.07Å; L162-F184 HydrophobicContact CD1-CG 4.49Å
163N94Very high92.6Very high46 Ų4659 Ų5925%0.24630%0.296CS..Hα-helixtrans-65-36.2173.6-171.469.8000112.4H159 V160 L161 Q166 K167 R181H159-N163 VanDerWaalsContact O-CB 3.25Å; H159-N163 WeakPolarHBondContact O-CB 3.48Å; H159-N163 PolarHBondContact O-N 3.14Å; V160-N163 WeakPolarHBondContact O-CB 3.38Å; V160-N163 PolarHBondContact O-N 3.07Å; L161-N163 VanDerWaalsContact C-N 3.33Å; L161-N163 PolarHBondContact O-N 2.73Å; N163-Q166 PolarHBondContact O-N 2.55Å; N163-K167 WeakPolarHBondContact O-CG 3.4Å; N163-K167 PolarHBondContact O-N 2.91Å; N163-R181 PolarHBondContact OD1-NH1 3.14Å
164K94.6Very high92.7Very high80 Ų8053.3 Ų53.335%0.34828%0.28SS..Hα-helixtrans-63.1-46.5172-68.6-176.8179.2-171.70110.9V8 E11 V160 L161 L162 Q166 K167V8-K164 HydrophobicContact CG1-CB 3.69Å; E11-K164 IonicContact OE1-NZ 3.62Å; E11-K164 PolarHBondContact OE1-NZ 2.77Å; E11-K164 IonicContact OE2-NZ 3Å; V160-K164 PolarHBondContact O-N 3.29Å; L161-K164 WeakPolarHBondContact O-CB 3.45Å; L161-K164 PolarHBondContact O-N 3.35Å; L162-K164 VanDerWaalsContact C-N 3.34Å; K164-Q166 VanDerWaalsContact C-N 3.3Å; K164-Q166 PolarHBondContact O-N 3.17Å; K164-K167 PolarHBondContact O-N 3.23Å
165L94.1Very high92.8Very high0 Ų059.9 Ų59.90%031%0.309CS..Hα-helixtrans-58.3-42.8176.1-80.5170.6000112.1Y5 V8 W9 L12 I85 L161 L162 K167 E168 A169 L177Y5-L165 HydrophobicContact CD2-CD2 4.16Å; Y5-L165 WeakPolarHBondContact CD2-O 3.48Å; Y5-L165 HydrophobicContact CE1-CD2 4.3Å; Y5-L165 HydrophobicContact CE2-CB 4.23Å; Y5-L165 HydrophobicContact CE2-CD2 3.83Å; Y5-L165 WeakPolarHBondContact CE2-O 3.44Å; V8-L165 HydrophobicContact CB-CD2 3.93Å; V8-L165 HydrophobicContact CG1-CB 4.46Å; V8-L165 HydrophobicContact CG1-CD2 3.73Å; V8-L165 HydrophobicContact CG1-CG 3.76Å; W9-L165 HydrophobicContact CB-CD2 3.97Å; W9-L165 HydrophobicContact CE3-CD1 4.09Å; L12-L165 HydrophobicContact CD1-CD1 3.61Å; I85-L165 HydrophobicContact CD1-CD1 4.45Å; L161-L165 PolarHBondContact O-N 2.89Å; L161-L165 VanDerWaalsContact O-N 3.08Å; L162-L165 HydrophobicContact CD2-CD1 4.36Å; L162-L165 WeakPolarHBondContact O-CB 3.44Å; L162-L165 PolarHBondContact O-N 3.3Å; L165-K167 VanDerWaalsContact C-N 3.3Å; L165-K167 PolarHBondContact O-N 2.79Å; L165-E168 PolarHBondContact O-N 3.48Å; L165-A169 WeakPolarHBondContact O-CB 3.23Å; L165-A169 PolarHBondContact O-N 2.95Å; L165-A169 VanDerWaalsContact O-N 3.17Å; L165-L177 HydrophobicContact CB-CD1 4.3Å; L165-L177 HydrophobicContact CB-CD2 4.44Å
166Q93.9Very high93Very high33 Ų3363.6 Ų63.615%0.15432%0.323CS..Hα-helixtrans-60.2-37.9-180-175.4-176.70.400112.7L162 N163 K164 E168 A169 V174 L177L162-Q166 WeakPolarHBondContact O-CB 3.48Å; L162-Q166 PolarHBondContact O-N 3.03Å; N163-Q166 PolarHBondContact O-N 2.55Å; K164-Q166 VanDerWaalsContact C-N 3.3Å; K164-Q166 PolarHBondContact O-N 3.17Å; Q166-E168 VanDerWaalsContact C-N 3.27Å; Q166-E168 PolarHBondContact O-N 3.01Å; Q166-A169 PolarHBondContact O-N 3.18Å; Q166-V174 HydrophobicContact CG-CG1 3.93Å; Q166-L177 HydrophobicContact CB-CB 4.06Å; Q166-L177 HydrophobicContact CB-CD1 4.43Å; Q166-L177 HydrophobicContact CG-CB 4.33Å
167K93.2Very high93.2Very high155 Ų15559.2 Ų59.267%0.67430%0.302SS*.Hα-helixtrans-65.1-31.6179.3-73.1177.6178.7-1710113.1N163 K164 L165N163-K167 WeakPolarHBondContact O-CG 3.4Å; N163-K167 PolarHBondContact O-N 2.91Å; K164-K167 PolarHBondContact O-N 3.23Å; L165-K167 VanDerWaalsContact C-N 3.3Å; L165-K167 PolarHBondContact O-N 2.79Å
168E92.7Very high93.4Very high66 Ų6659.1 Ų59.131%0.30830%0.299SS..THydrogen-bonded Turntrans-96.9-0.1-178-56.9-56.4144.900113N2 T4 Y5 V8 L165 Q166N2-E168 PolarHBondContact ND2-O 3.31Å; T4-E168 HydrophobicContact CG2-CG 3.85Å; T4-E168 WeakPolarHBondContact CG2-OE2 3.49Å; Y5-E168 HydrophobicContact CD2-CB 4.33Å; V8-E168 HydrophobicContact CG2-CG 4.19Å; L165-E168 PolarHBondContact O-N 3.48Å; Q166-E168 VanDerWaalsContact C-N 3.27Å; Q166-E168 PolarHBondContact O-N 3.01Å
169A92.1Very high93.4Very high20 Ų2061 Ų6117%0.16531%0.309CS..SBendtrans-83.5157.5-175.100000112.8Y5 L165 Q166 D173 V174 L177Y5-A169 HydrophobicContact CD2-CB 4.04Å; Y5-A169 HydrophobicContact CE2-CB 3.82Å; L165-A169 WeakPolarHBondContact O-CB 3.23Å; L165-A169 PolarHBondContact O-N 2.95Å; L165-A169 VanDerWaalsContact O-N 3.17Å; Q166-A169 PolarHBondContact O-N 3.18Å; A169-D173 HydrophobicContact CB-CB 4.22Å; A169-V174 HydrophobicContact CB-CG2 4.41Å; A169-L177 HydrophobicContact CB-CD1 3.49Å; A169-L177 VanDerWaalsContact CB-CD1 3.49Å
170N91.1Very high93.7Very high95 Ų9558.2 Ų58.251%0.50830%0.296SS..  trans-68.5153170-64.1-27000110.8S172 D173 V174N170-S172 PolarHBondContact O-N 3.47Å; N170-S172 VanDerWaalsContact O-N 3.1Å; N170-D173 WeakPolarHBondContact O-CA 3.49Å; N170-D173 WeakPolarHBondContact O-CB 3.27Å; N170-D173 PolarHBondContact O-N 3.37Å; N170-V174 WeakPolarHBondContact O-CG2 3.31Å; N170-V174 PolarHBondContact O-N 3.28Å
171L89.5Confident93.8Very high163 Ų16358 Ų5885%0.85329%0.288SS*.Hα-helixtrans-53.4-36.3-177.4-172.165000114D173L171-D173 VanDerWaalsContact C-N 3.29Å; L171-D173 PolarHBondContact O-N 2.89Å
172S89.2Confident93.9Very high83 Ų8360.6 Ų60.658%0.5830%0.299SS*.Hα-helixtrans-66.5-29.2176.756.50000113.7N170N170-S172 PolarHBondContact O-N 3.47Å; N170-S172 VanDerWaalsContact O-N 3.1Å
173D92.3Very high94Very high45 Ų4561.1 Ų61.124%0.24130%0.302CS..Hα-helixtrans-92-22.3-173.1-69.3-23.8000112.6A82 A169 N170 L171 K175 Y176 L177A82-D173 HydrophobicContact CB-CB 3.56Å; A169-D173 HydrophobicContact CB-CB 4.22Å; N170-D173 WeakPolarHBondContact O-CA 3.49Å; N170-D173 WeakPolarHBondContact O-CB 3.27Å; N170-D173 PolarHBondContact O-N 3.37Å; L171-D173 VanDerWaalsContact C-N 3.29Å; L171-D173 PolarHBondContact O-N 2.89Å; D173-K175 PolarHBondContact O-N 2.97Å; D173-Y176 PolarHBondContact O-N 3.38Å; D173-Y176 VanDerWaalsContact O-N 3.08Å; D173-L177 PolarHBondContact O-N 3.12Å; D173-L177 VanDerWaalsContact O-N 3.11Å
174V94Very high94.1Very high42 Ų4258.9 Ų58.926%0.25529%0.291SS..Hα-helixtrans-52.1-43.11801720000111.6Q166 A169 N170 Y176 L177 D178Q166-V174 HydrophobicContact CG-CG1 3.93Å; A169-V174 HydrophobicContact CB-CG2 4.41Å; N170-V174 WeakPolarHBondContact O-CG2 3.31Å; N170-V174 PolarHBondContact O-N 3.28Å; V174-Y176 PolarHBondContact O-N 2.94Å; V174-L177 PolarHBondContact O-N 2.82Å; V174-D178 WeakPolarHBondContact O-CB 3.29Å; V174-D178 PolarHBondContact O-N 3.5Å
175K94.8Very high94.1Very high151 Ų15157.8 Ų57.866%0.65729%0.289SS*.Hα-helixtrans-64.6-41.1-179.3-173.9179.1179.4-179.20112.3D173 D178 D179D173-K175 PolarHBondContact O-N 2.97Å; K175-D178 PolarHBondContact O-N 3.28Å; K175-D179 VanDerWaalsContact O-CG 3.31Å; K175-D179 PolarHBondContact O-N 3.2Å
176Y95.8Very high94.1Very high84 Ų8462.7 Ų62.733%0.32931%0.307SS..Hα-helixtrans-67.1-40.9178.9-61.6-59.8000111.5A82 K83 K86 D173 V174 D179 A180A82-Y176 HydrophobicContact CB-CD2 4.49Å; A82-Y176 WeakPolarHBondContact O-CB 3.47Å; K83-Y176 HydrophobicContact CB-CD2 4.38Å; K83-Y176 HydrophobicContact CB-CE2 4.47Å; K83-Y176 HydrophobicContact CB-CG 4.47Å; K83-Y176 HydrophobicContact CG-CE1 4.46Å; K86-Y176 WeakPolarHBondContact CB-O 3.37Å; K86-Y176 HydrophobicContact CD-CD1 3.71Å; D173-Y176 PolarHBondContact O-N 3.38Å; D173-Y176 VanDerWaalsContact O-N 3.08Å; V174-Y176 PolarHBondContact O-N 2.94Å; Y176-D179 PolarHBondContact O-N 3.19Å; Y176-A180 PolarHBondContact O-N 2.81Å
177L96Very high94.2Very high0 Ų061.1 Ų61.10%030%0.3CS..Hα-helixtrans-69.3-35.3176.7-65.6169.2000112.1Y5 A82 I85 L165 Q166 A169 D173 V174 A180 R181Y5-L177 HydrophobicContact CE2-CD1 3.91Å; A82-L177 HydrophobicContact CB-CD1 4.27Å; A82-L177 HydrophobicContact CB-CD2 4.08Å; A82-L177 HydrophobicContact CB-CG 3.85Å; I85-L177 HydrophobicContact CB-CD2 4.42Å; I85-L177 HydrophobicContact CD1-CD2 4.1Å; I85-L177 HydrophobicContact CG2-CD2 4.18Å; L165-L177 HydrophobicContact CB-CD1 4.3Å; L165-L177 HydrophobicContact CB-CD2 4.44Å; Q166-L177 HydrophobicContact CB-CB 4.06Å; Q166-L177 HydrophobicContact CB-CD1 4.43Å; Q166-L177 HydrophobicContact CG-CB 4.33Å; A169-L177 HydrophobicContact CB-CD1 3.49Å; A169-L177 VanDerWaalsContact CB-CD1 3.49Å; D173-L177 PolarHBondContact O-N 3.12Å; D173-L177 VanDerWaalsContact O-N 3.11Å; V174-L177 PolarHBondContact O-N 2.82Å; L177-A180 WeakPolarHBondContact O-CB 3.49Å; L177-A180 PolarHBondContact O-N 3.41Å; L177-R181 WeakPolarHBondContact O-CB 3.43Å; L177-R181 PolarHBondContact O-N 2.92Å
178D96Very high94.2Very high33 Ų3354.8 Ų54.818%0.17628%0.275CS..Hα-helixtrans-64-44.5173.4-167.658.9000111.7V174 K175 A180 R181 Q182V174-D178 WeakPolarHBondContact O-CB 3.29Å; V174-D178 PolarHBondContact O-N 3.5Å; K175-D178 PolarHBondContact O-N 3.28Å; D178-A180 VanDerWaalsContact C-N 3.32Å; D178-A180 PolarHBondContact O-N 3.17Å; D178-R181 WeakPolarHBondContact O-CB 3.47Å; D178-R181 PolarHBondContact O-N 3.23Å; D178-R181 IonicContact OD1-CZ 3.83Å; D178-R181 VanDerWaalsContact OD1-CZ 3.31Å; D178-R181 IonicContact OD1-NE 3.58Å; D178-R181 PolarHBondContact OD1-NE 2.95Å; D178-R181 IonicContact OD1-NH2 3.06Å; D178-R181 PolarHBondContact OD1-NH2 3.33Å; D178-Q182 WeakPolarHBondContact O-CB 3.37Å; D178-Q182 WeakPolarHBondContact O-CG 3.34Å; D178-Q182 PolarHBondContact O-N 3.4Å; D178-Q182 PolarHBondContact OD2-NE2 2.98Å
179D95.5Very high94.2Very high40 Ų4055.5 Ų55.521%0.21428%0.281CS..Hα-helixtrans-58.9-43174.5-72.8-21000111.5K86 K175 Y176 Q182 T183K86-D179 HydrophobicContact CD-CB 3.76Å; K86-D179 WeakPolarHBondContact CD-OD2 3.39Å; K86-D179 WeakPolarHBondContact CE-OD2 3.38Å; K86-D179 HydrophobicContact CG-CB 3.88Å; K86-D179 IonicContact NZ-OD2 2.74Å; K86-D179 PolarHBondContact NZ-OD2 3.22Å; K175-D179 VanDerWaalsContact O-CG 3.31Å; K175-D179 PolarHBondContact O-N 3.2Å; Y176-D179 PolarHBondContact O-N 3.19Å; D179-Q182 PolarHBondContact O-N 3.39Å; D179-T183 PolarHBondContact O-N 3.23Å; D179-T183 PolarHBondContact O-OG1 3.25Å
180A96.4Very high94.3Very high0 Ų054.6 Ų54.60%027%0.273CS..Hα-helixtrans-61.8-45.5175.600000111.5I85 A89 L162 Y176 L177 D178 T183 F184I85-A180 HydrophobicContact CG2-CB 4.11Å; A89-A180 HydrophobicContact CB-CB 4.08Å; L162-A180 HydrophobicContact CD1-CB 4.03Å; L162-A180 HydrophobicContact CD2-CB 4.38Å; Y176-A180 PolarHBondContact O-N 2.81Å; L177-A180 WeakPolarHBondContact O-CB 3.49Å; L177-A180 PolarHBondContact O-N 3.41Å; D178-A180 VanDerWaalsContact C-N 3.32Å; D178-A180 PolarHBondContact O-N 3.17Å; A180-T183 WeakPolarHBondContact O-CB 3.34Å; A180-T183 PolarHBondContact O-N 3.49Å; A180-F184 PolarHBondContact O-N 3.43Å
181R96.2Very high94.3Very high67 Ų6750.5 Ų50.525%0.25325%0.251SS..Hα-helixtrans-61.8-46.9178.2-177.6-178.271134.98.6111.6H159 L162 N163 L177 D178 T183 F184 N185H159-R181 HydrophobicContact CB-CG 4.15Å; L162-R181 HydrophobicContact CB-CB 4.17Å; N163-R181 PolarHBondContact OD1-NH1 3.14Å; L177-R181 WeakPolarHBondContact O-CB 3.43Å; L177-R181 PolarHBondContact O-N 2.92Å; D178-R181 WeakPolarHBondContact O-CB 3.47Å; D178-R181 PolarHBondContact O-N 3.23Å; D178-R181 IonicContact OD1-CZ 3.83Å; D178-R181 VanDerWaalsContact OD1-CZ 3.31Å; D178-R181 IonicContact OD1-NE 3.58Å; D178-R181 PolarHBondContact OD1-NE 2.95Å; D178-R181 IonicContact OD1-NH2 3.06Å; D178-R181 PolarHBondContact OD1-NH2 3.33Å; R181-T183 PolarHBondContact O-N 3.09Å; R181-F184 PolarHBondContact O-N 2.67Å; R181-N185 PolarHBondContact O-N 3.32Å; R181-N185 VanDerWaalsContact O-N 3.12Å
182Q95.9Very high94.4Very high69 Ų6947.2 Ų47.232%0.32224%0.235SC..Hα-helixtrans-60.9-35.8175.4-71.5-174.830.400111.8D178 D179 N185 R186D178-Q182 WeakPolarHBondContact O-CB 3.37Å; D178-Q182 WeakPolarHBondContact O-CG 3.34Å; D178-Q182 PolarHBondContact O-N 3.4Å; D178-Q182 PolarHBondContact OD2-NE2 2.98Å; D179-Q182 PolarHBondContact O-N 3.39Å; Q182-N185 PolarHBondContact O-N 3.39Å; Q182-R186 WeakPolarHBondContact O-CG 3.45Å; Q182-R186 PolarHBondContact O-N 2.7Å
183T96Very high94.4Very high11 Ų1143.9 Ų43.97%0.06721%0.211CC..Hα-helixtrans-60.4-45.9175.6-58.40000111.2A89 A93 D179 A180 R181 N185 R186 I187A89-T183 HydrophobicContact CB-CG2 4.3Å; A93-T183 HydrophobicContact CB-CG2 3.85Å; D179-T183 PolarHBondContact O-N 3.23Å; D179-T183 PolarHBondContact O-OG1 3.25Å; A180-T183 WeakPolarHBondContact O-CB 3.34Å; A180-T183 PolarHBondContact O-N 3.49Å; R181-T183 PolarHBondContact O-N 3.09Å; T183-N185 PolarHBondContact O-N 3.28Å; T183-R186 PolarHBondContact O-N 3.37Å; T183-I187 HydrophobicContact CG2-CD1 4.33Å; T183-I187 VanDerWaalsContact O-CG1 3.3Å; T183-I187 WeakPolarHBondContact O-CG1 3.3Å; T183-I187 PolarHBondContact O-N 3.44Å
184F96.1Very high94.3Very high0 Ų041.8 Ų41.80%020%0.2CC..Hα-helixtrans-66.7-35.2176.5-85.8-82.4000113.9W88 A89 F96 Y158 H159 L162 A180 R181 I187 C188W88-F184 HydrophobicContact CE3-CE2 4.44Å; W88-F184 AromaticContact CH2-CE2 3.87Å; W88-F184 HydrophobicContact CH2-CE2 3.87Å; W88-F184 AromaticContact CH2-CZ 3.53Å; W88-F184 HydrophobicContact CH2-CZ 3.53Å; W88-F184 AromaticContact CZ3-CE2 3.51Å; W88-F184 HydrophobicContact CZ3-CE2 3.51Å; W88-F184 AromaticContact CZ3-CZ 3.7Å; W88-F184 HydrophobicContact CZ3-CZ 3.7Å; A89-F184 HydrophobicContact CB-CD2 4.28Å; A89-F184 HydrophobicContact CB-CE2 3.83Å; F96-F184 HydrophobicContact CD2-CE1 4.19Å; F96-F184 HydrophobicContact CD2-CZ 4.32Å; F96-F184 HydrophobicContact CE1-CE1 4.47Å; F96-F184 HydrophobicContact CE2-CE1 4.03Å; F96-F184 AromaticContact CE2-CZ 3.92Å; F96-F184 HydrophobicContact CE2-CZ 3.92Å; F96-F184 HydrophobicContact CG-CE1 4.5Å; F96-F184 HydrophobicContact CZ-CE1 4.18Å; F96-F184 HydrophobicContact CZ-CZ 4.3Å; Y158-F184 HydrophobicContact CD1-CE1 4.19Å; Y158-F184 HydrophobicContact CD1-CE2 4.45Å; Y158-F184 HydrophobicContact CD1-CZ 4.01Å; Y158-F184 AromaticContact CD2-CD1 3.92Å; Y158-F184 HydrophobicContact CD2-CD1 3.92Å; Y158-F184 AromaticContact CD2-CE1 3.44Å; Y158-F184 HydrophobicContact CD2-CE1 3.44Å; Y158-F184 VanDerWaalsContact CD2-CE1 3.44Å; Y158-F184 HydrophobicContact CD2-CZ 4.07Å; Y158-F184 HydrophobicContact CE2-CE1 4.14Å; Y158-F184 AromaticContact CG-CD1 3.82Å; Y158-F184 HydrophobicContact CG-CD1 3.82Å; Y158-F184 AromaticContact CG-CE1 3.47Å; Y158-F184 HydrophobicContact CG-CE1 3.47Å; Y158-F184 VanDerWaalsContact CG-CE1 3.47Å; Y158-F184 HydrophobicContact CG-CE2 4.32Å; Y158-F184 HydrophobicContact CG-CG 4.37Å; Y158-F184 AromaticContact CG-CZ 3.75Å; Y158-F184 HydrophobicContact CG-CZ 3.75Å; H159-F184 HydrophobicContact CB-CB 4.29Å; L162-F184 HydrophobicContact CD1-CD2 3.59Å; L162-F184 HydrophobicContact CD1-CE2 4.07Å; L162-F184 HydrophobicContact CD1-CG 4.49Å; A180-F184 PolarHBondContact O-N 3.43Å; R181-F184 PolarHBondContact O-N 2.67Å; F184-I187 HydrophobicContact CD1-CD1 3.93Å; F184-I187 HydrophobicContact CE1-CD1 4.1Å; F184-I187 HydrophobicContact CG-CD1 4.3Å; F184-I187 WeakPolarHBondContact O-CB 3.25Å; F184-I187 PolarHBondContact O-N 3.41Å; F184-C188 PolarHBondContact O-N 2.98Å; F184-C188 PolarHBondContact O-SG 2.99Å
185N94.7Very high93.9Very high57 Ų5741.4 Ų41.431%0.30520%0.196SC..Hα-helixtrans-60.6-47.7171.4-70-16.6000110.9H159 R181 Q182 T183 I187 C188 D189H159-N185 WeakPolarHBondContact CB-OD1 3.34Å; H159-N185 VanDerWaalsContact CG-OD1 3.29Å; R181-N185 PolarHBondContact O-N 3.32Å; R181-N185 VanDerWaalsContact O-N 3.12Å; Q182-N185 PolarHBondContact O-N 3.39Å; T183-N185 PolarHBondContact O-N 3.28Å; N185-I187 VanDerWaalsContact C-N 3.3Å; N185-I187 PolarHBondContact O-N 2.87Å; N185-C188 WeakPolarHBondContact O-CB 3.32Å; N185-C188 PolarHBondContact O-N 3.49Å; N185-C188 VanDerWaalsContact O-N 3.09Å; N185-D189 VanDerWaalsContact O-CG 3.28Å; N185-D189 PolarHBondContact O-N 3.4Å
186R95Very high93.4Very high102 Ų10235.3 Ų35.339%0.38517%0.17SC..Hα-helixtrans-60.7-37.9176.5-68.3173-167.7162.48.4112.6Q182 T183 T190 H209Q182-R186 WeakPolarHBondContact O-CG 3.45Å; Q182-R186 PolarHBondContact O-N 2.7Å; T183-R186 PolarHBondContact O-N 3.37Å; R186-T190 VanDerWaalsContact O-CB 3.24Å; R186-T190 WeakPolarHBondContact O-CB 3.37Å; R186-T190 PolarHBondContact O-N 2.83Å; R186-T190 PolarHBondContact O-OG1 2.68Å; R186-H209 HydrophobicContact CB-CB 4.42Å
187I95.6Very high93Very high0 Ų031.4 Ų31.40%016%0.155CC..Hα-helixtrans-59-51173.1-68.8167000109.7A93 F96 I97 I155 T183 F184 N185 T190 V191A93-I187 HydrophobicContact CB-CD1 3.65Å; A93-I187 HydrophobicContact CB-CG1 3.81Å; F96-I187 HydrophobicContact CB-CD1 4.13Å; F96-I187 HydrophobicContact CB-CG2 3.95Å; F96-I187 HydrophobicContact CD2-CD1 4.48Å; I97-I187 HydrophobicContact CD1-CG1 4.38Å; I97-I187 HydrophobicContact CG1-CB 4.31Å; I97-I187 HydrophobicContact CG1-CG1 4.17Å; I97-I187 HydrophobicContact CG1-CG2 3.98Å; I155-I187 HydrophobicContact CD1-CG2 3.46Å; I155-I187 VanDerWaalsContact CD1-CG2 3.46Å; I155-I187 HydrophobicContact CG1-CG2 4.19Å; T183-I187 HydrophobicContact CG2-CD1 4.33Å; T183-I187 VanDerWaalsContact O-CG1 3.3Å; T183-I187 WeakPolarHBondContact O-CG1 3.3Å; T183-I187 PolarHBondContact O-N 3.44Å; F184-I187 HydrophobicContact CD1-CD1 3.93Å; F184-I187 HydrophobicContact CE1-CD1 4.1Å; F184-I187 HydrophobicContact CG-CD1 4.3Å; F184-I187 WeakPolarHBondContact O-CB 3.25Å; F184-I187 PolarHBondContact O-N 3.41Å; N185-I187 VanDerWaalsContact C-N 3.3Å; N185-I187 PolarHBondContact O-N 2.87Å; I187-T190 PolarHBondContact O-N 3.4Å; I187-V191 HydrophobicContact CG2-CG2 4.37Å; I187-V191 WeakPolarHBondContact O-CB 3.43Å; I187-V191 VanDerWaalsContact O-CG2 3.3Å; I187-V191 WeakPolarHBondContact O-CG2 3.23Å; I187-V191 PolarHBondContact O-N 2.77Å
188C93.9Very high92.5Very high22 Ų2233.8 Ų33.815%0.14916%0.164CC..Hα-helixtrans-60.9-45.6179.7-71.10000112.5F184 N185 T190 V191 N192F184-C188 PolarHBondContact O-N 2.98Å; F184-C188 PolarHBondContact O-SG 2.99Å; N185-C188 WeakPolarHBondContact O-CB 3.32Å; N185-C188 PolarHBondContact O-N 3.49Å; N185-C188 VanDerWaalsContact O-N 3.09Å; C188-T190 VanDerWaalsContact C-N 3.33Å; C188-T190 PolarHBondContact O-N 3.19Å; C188-V191 PolarHBondContact O-N 3.21Å; C188-N192 VanDerWaalsContact O-CB 3.31Å; C188-N192 WeakPolarHBondContact O-CB 3.2Å; C188-N192 PolarHBondContact O-N 3.47Å
189D92.8Very high92Very high82 Ų8233.6 Ų33.644%0.43917%0.17SC..Hα-helixtrans-61-44.6177.9-64.5-26.9000111N185 N192 V193 F210N185-D189 VanDerWaalsContact O-CG 3.28Å; N185-D189 PolarHBondContact O-N 3.4Å; D189-N192 PolarHBondContact O-N 3.22Å; D189-V193 WeakPolarHBondContact O-CG2 3.45Å; D189-V193 PolarHBondContact O-N 2.92Å; D189-V193 VanDerWaalsContact O-N 3.15Å; D189-F210 HydrophobicContact CB-CD1 4.26Å
190T93.9Very high91.7Very high0 Ų031.9 Ų31.90%016%0.161CC..Hα-helixtrans-62.3-50.1177.9-560000110.7I97 R186 I187 C188 N192 V193 T194 F210 F236I97-T190 HydrophobicContact CD1-CG2 4.17Å; I97-T190 HydrophobicContact CG1-CG2 4.39Å; I97-T190 HydrophobicContact CG2-CG2 3.95Å; R186-T190 VanDerWaalsContact O-CB 3.24Å; R186-T190 WeakPolarHBondContact O-CB 3.37Å; R186-T190 PolarHBondContact O-N 2.83Å; R186-T190 PolarHBondContact O-OG1 2.68Å; I187-T190 PolarHBondContact O-N 3.4Å; C188-T190 VanDerWaalsContact C-N 3.33Å; C188-T190 PolarHBondContact O-N 3.19Å; T190-N192 VanDerWaalsContact C-N 3.28Å; T190-N192 PolarHBondContact O-N 3.2Å; T190-V193 PolarHBondContact O-N 3.49Å; T190-T194 HydrophobicContact CG2-CG2 4.05Å; T190-T194 WeakPolarHBondContact O-CB 3.22Å; T190-T194 VanDerWaalsContact O-CG2 3.29Å; T190-T194 WeakPolarHBondContact O-CG2 3.39Å; T190-T194 PolarHBondContact O-N 3.32Å; T190-T194 PolarHBondContact O-OG1 2.96Å; T190-F210 PolarHBondContact OG1-N 2.65Å; T190-F210 VanDerWaalsContact OG1-N 3.14Å; T190-F236 HydrophobicContact CG2-CD1 4.46Å; T190-F236 HydrophobicContact CG2-CE1 4.12Å
191V92Very high91.4Very high9 Ų934.9 Ų34.96%0.05518%0.179CC..Hα-helixtrans-58.8-39.6177.6170.50000111.7I187 C188 V193 T194 M195I187-V191 HydrophobicContact CG2-CG2 4.37Å; I187-V191 WeakPolarHBondContact O-CB 3.43Å; I187-V191 VanDerWaalsContact O-CG2 3.3Å; I187-V191 WeakPolarHBondContact O-CG2 3.23Å; I187-V191 PolarHBondContact O-N 2.77Å; C188-V191 PolarHBondContact O-N 3.21Å; V191-V193 VanDerWaalsContact C-N 3.31Å; V191-V193 PolarHBondContact O-N 3.37Å; V191-T194 WeakPolarHBondContact CA-OG1 3.3Å; V191-T194 PolarHBondContact O-N 3.12Å; V191-T194 PolarHBondContact O-OG1 3.34Å; V191-M195 VanDerWaalsContact O-CB 3.31Å; V191-M195 WeakPolarHBondContact O-CB 3.5Å; V191-M195 VanDerWaalsContact O-CG 3.31Å; V191-M195 WeakPolarHBondContact O-CG 3.48Å; V191-M195 PolarHBondContact O-N 3.34Å
192N89.6Confident91.1Very high94 Ų9433.3 Ų33.350%0.50318%0.177SC..Hα-helixtrans-64.5-35.4179.9-174.664.8000112.5C188 D189 T190 M195 N196C188-N192 VanDerWaalsContact O-CB 3.31Å; C188-N192 WeakPolarHBondContact O-CB 3.2Å; C188-N192 PolarHBondContact O-N 3.47Å; D189-N192 PolarHBondContact O-N 3.22Å; T190-N192 VanDerWaalsContact C-N 3.28Å; T190-N192 PolarHBondContact O-N 3.2Å; N192-M195 WeakPolarHBondContact O-CE 3.34Å; N192-M195 WeakPolarHBondContact O-CG 3.2Å; N192-M195 WeakPolarHBondContact OD1-CE 3.37Å; N192-N196 PolarHBondContact O-ND2 3.25Å
193V89.8Confident90.9Very high13 Ų1330.7 Ų30.78%0.07917%0.167CC..Hα-helixtrans-77.4-49.2174.7176.90000110.4D189 T190 V191 M195 N196 F210 I234 F236D189-V193 WeakPolarHBondContact O-CG2 3.45Å; D189-V193 PolarHBondContact O-N 2.92Å; D189-V193 VanDerWaalsContact O-N 3.15Å; T190-V193 PolarHBondContact O-N 3.49Å; V191-V193 VanDerWaalsContact C-N 3.31Å; V191-V193 PolarHBondContact O-N 3.37Å; V193-M195 PolarHBondContact O-N 3.21Å; V193-N196 PolarHBondContact O-N 2.97Å; V193-N196 VanDerWaalsContact O-N 3.14Å; V193-F210 HydrophobicContact CB-CD2 4.36Å; V193-F210 HydrophobicContact CG1-CD2 4.26Å; V193-F210 HydrophobicContact CG2-CD1 4.2Å; V193-F210 HydrophobicContact CG2-CD2 3.77Å; V193-F210 HydrophobicContact CG2-CE1 4.32Å; V193-F210 HydrophobicContact CG2-CE2 3.9Å; V193-F210 HydrophobicContact CG2-CG 3.9Å; V193-F210 HydrophobicContact CG2-CZ 4.17Å; V193-I234 HydrophobicContact CG1-CD1 4.03Å; V193-I234 HydrophobicContact CG1-CG2 3.86Å; V193-F236 HydrophobicContact CG1-CZ 3.91Å
194T90.4Very high90.7Very high1 Ų130.2 Ų30.21%0.00616%0.164CC..Hα-helixtrans-68.3-29.3-173.357.90000113.8T101 T190 V191 N196 L197 P204 L207 F236T101-T194 WeakPolarHBondContact CG2-OG1 3.43Å; T101-T194 PolarHBondContact OG1-OG1 3.37Å; T190-T194 HydrophobicContact CG2-CG2 4.05Å; T190-T194 WeakPolarHBondContact O-CB 3.22Å; T190-T194 VanDerWaalsContact O-CG2 3.29Å; T190-T194 WeakPolarHBondContact O-CG2 3.39Å; T190-T194 PolarHBondContact O-N 3.32Å; T190-T194 PolarHBondContact O-OG1 2.96Å; V191-T194 WeakPolarHBondContact CA-OG1 3.3Å; V191-T194 PolarHBondContact O-N 3.12Å; V191-T194 PolarHBondContact O-OG1 3.34Å; T194-N196 PolarHBondContact O-N 3.03Å; T194-N196 VanDerWaalsContact O-N 3.09Å; T194-L197 HydrophobicContact CG2-CD1 4.23Å; T194-L197 PolarHBondContact O-N 2.89Å; T194-P204 HydrophobicContact CG2-CB 4.07Å; T194-L207 HydrophobicContact CG2-CD1 3.9Å; T194-F236 HydrophobicContact CG2-CE1 4.14Å; T194-F236 HydrophobicContact CG2-CZ 4.21Å
195M85.7Confident90.6Very high35 Ų3531.3 Ų31.317%0.17217%0.171CC..THydrogen-bonded Turntrans-62.1-17.9175.470.3177.3-175.700113.3C104 L105 V191 N192 V193C104-M195 HydrophobicContact CB-CB 3.74Å; C104-M195 HydrophobicContact CB-CG 4.5Å; C104-M195 HydrophobicContact CB-SD 4Å; L105-M195 WeakPolarHBondContact CD2-O 3.19Å; V191-M195 VanDerWaalsContact O-CB 3.31Å; V191-M195 WeakPolarHBondContact O-CB 3.5Å; V191-M195 VanDerWaalsContact O-CG 3.31Å; V191-M195 WeakPolarHBondContact O-CG 3.48Å; V191-M195 PolarHBondContact O-N 3.34Å; N192-M195 WeakPolarHBondContact O-CE 3.34Å; N192-M195 WeakPolarHBondContact O-CG 3.2Å; N192-M195 WeakPolarHBondContact OD1-CE 3.37Å; V193-M195 PolarHBondContact O-N 3.21Å
196N83.6Confident90.6Very high23 Ų2334.6 Ų34.612%0.12318%0.183CC..THydrogen-bonded Turntrans-100.2-5.8178.1-64.6-49.5000113.2N192 V193 T194 K285 Y287N192-N196 PolarHBondContact O-ND2 3.25Å; V193-N196 PolarHBondContact O-N 2.97Å; V193-N196 VanDerWaalsContact O-N 3.14Å; T194-N196 PolarHBondContact O-N 3.03Å; T194-N196 VanDerWaalsContact O-N 3.09Å; N196-K285 WeakPolarHBondContact CB-O 3.46Å; N196-Y287 PolarHBondContact O-N 3.19Å
197L88.1Confident90.6Very high1 Ų129.8 Ų29.81%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-85.3146178.7-62.4175.2000112T194 L200 L207 I234 F236 L241 T243 Y287 V289T194-L197 HydrophobicContact CG2-CD1 4.23Å; T194-L197 PolarHBondContact O-N 2.89Å; L197-L200 HydrophobicContact CB-CD1 4.12Å; L197-L200 HydrophobicContact CB-CG 4.29Å; L197-L200 HydrophobicContact CD1-CD1 4.34Å; L197-L200 HydrophobicContact CD1-CD2 4.36Å; L197-L207 HydrophobicContact CD1-CD1 4.37Å; L197-I234 HydrophobicContact CD2-CD1 3.6Å; L197-F236 HydrophobicContact CD1-CE2 4.44Å; L197-F236 HydrophobicContact CD1-CZ 4.15Å; L197-L241 HydrophobicContact CD1-CD1 3.6Å; L197-L241 HydrophobicContact CD2-CD1 4.46Å; L197-T243 HydrophobicContact CD2-CG2 4.11Å; L197-Y287 CarbonylContact C-O 3.48Å; L197-V289 HydrophobicContact CB-CG2 4.36Å; L197-V289 HydrophobicContact CD2-CG2 4.2Å
198R85Confident90.5Very high51 Ų5130.3 Ų30.319%0.19217%0.17CC..EExtended strand (participates in β ladder)trans-135.4146.9178.5-56-64.2169.4174.2-5109.9L105 L200 Y287 V289L105-R198 VanDerWaalsContact CD2-NH2 3.26Å; R198-L200 VanDerWaalsContact C-N 3.32Å; R198-Y287 PolarHBondContact N-O 3.33Å; R198-V289 WeakPolarHBondContact O-CB 3.38Å; R198-V289 WeakPolarHBondContact O-CG2 3.4Å; R198-V289 PolarHBondContact O-N 3.4Å
199G85.9Confident90.4Very high29 Ų2931.6 Ų31.630%0.29917%0.174SC..SBendtrans77.318.2176.800000114.1
200L89.6Confident90.5Very high4 Ų430 Ų302%0.02116%0.163CC..BIsolated β-bridgetrans-57.1142.4171.6-73.5170.3000109.8L197 R198 P204 L207 L241 V289 E292 V378 N379L197-L200 HydrophobicContact CB-CD1 4.12Å; L197-L200 HydrophobicContact CB-CG 4.29Å; L197-L200 HydrophobicContact CD1-CD1 4.34Å; L197-L200 HydrophobicContact CD1-CD2 4.36Å; R198-L200 VanDerWaalsContact C-N 3.32Å; L200-P204 HydrophobicContact CD1-CG 4.46Å; L200-L207 HydrophobicContact CD1-CD1 4.26Å; L200-L207 HydrophobicContact CD2-CD1 4.07Å; L200-L207 HydrophobicContact CD2-CD2 4.17Å; L200-L241 HydrophobicContact CD2-CD1 3.86Å; L200-V289 HydrophobicContact CD2-CG2 3.9Å; L200-V289 HydrophobicContact CG-CG2 4.25Å; L200-E292 WeakPolarHBondContact CA-OE1 3.35Å; L200-E292 WeakPolarHBondContact CD2-OE1 3.41Å; L200-V378 CarbonylContact O-C 3.59Å; L200-V378 VanDerWaalsContact O-CA 3.22Å; L200-V378 WeakPolarHBondContact O-CA 3.13Å; L200-N379 PolarHBondContact O-N 3.08Å
201T89.5Confident90.6Very high62 Ų6232.8 Ų32.838%0.3818%0.178SC..SBendtrans-96.4-17174.180.60000112.3E292 V378T201-E292 WeakPolarHBondContact CB-OE2 3.47Å; T201-E292 PolarHBondContact N-OE1 3.4Å; T201-E292 PolarHBondContact OG1-OE2 3.33Å; T201-V378 VanDerWaalsContact O-CG1 3.23Å; T201-V378 WeakPolarHBondContact O-CG1 3.21Å
202V89.8Confident90.7Very high35 Ų3533.9 Ų33.921%0.21218%0.183CC..SBendtrans-118.8163.4177.8-61.10000112K206 L207 M239V202-K206 HydrophobicContact CB-CB 3.99Å; V202-K206 HydrophobicContact CB-CG 4.45Å; V202-K206 HydrophobicContact CG2-CB 3.99Å; V202-L207 HydrophobicContact CG2-CD2 3.92Å; V202-M239 HydrophobicContact CG1-CE 4.03Å; V202-M239 HydrophobicContact CG2-CE 3.9Å; V202-M239 HydrophobicContact CG2-SD 3.87Å
203A91.5Very high91Very high13 Ų1334 Ų3411%0.10718%0.181CC..  trans-62.9144.1171.900000110.8S205 K206 L376A203-S205 PolarHBondContact O-N 2.89Å; A203-S205 VanDerWaalsContact O-N 3.08Å; A203-K206 HydrophobicContact CB-CG 4.31Å; A203-K206 WeakPolarHBondContact O-CB 3.46Å; A203-K206 PolarHBondContact O-N 3.45Å; A203-L376 HydrophobicContact CB-CD1 3.93Å
204P93.4Very high91.2Very high2 Ų234.3 Ų34.31%0.01318%0.184CC..G310 helixtrans-49-36.3178.8-30.836.3000114.7I97 D98 T101 T194 L200 K206 L207 L376I97-P204 HydrophobicContact CG2-CB 3.87Å; D98-P204 VanDerWaalsContact OD1-CD 3.3Å; D98-P204 WeakPolarHBondContact OD1-CD 3.48Å; T101-P204 HydrophobicContact CG2-CB 4.25Å; T101-P204 HydrophobicContact CG2-CG 3.72Å; T194-P204 HydrophobicContact CG2-CB 4.07Å; L200-P204 HydrophobicContact CD1-CG 4.46Å; P204-K206 VanDerWaalsContact C-N 3.26Å; P204-K206 PolarHBondContact O-N 3.11Å; P204-L207 WeakPolarHBondContact O-CB 3.18Å; P204-L207 WeakPolarHBondContact O-CG 3.24Å; P204-L207 PolarHBondContact O-N 3.38Å; P204-L376 HydrophobicContact CG-CD2 4.19Å
205S93.9Very high91.3Very high22 Ų2239.3 Ų39.315%0.15421%0.211CC..G310 helixtrans-64.9-25.4177.464.10000114.4P94 D98 A203 L207 G208P94-S205 WeakPolarHBondContact O-CB 3.35Å; D98-S205 VanDerWaalsContact CG-CB 3.5Å; D98-S205 VanDerWaalsContact CG-OG 3.23Å; D98-S205 VanDerWaalsContact OD1-CB 3.26Å; D98-S205 WeakPolarHBondContact OD1-CB 3.5Å; D98-S205 PolarHBondContact OD1-N 3.29Å; D98-S205 PolarHBondContact OD1-OG 3.32Å; D98-S205 VanDerWaalsContact OD2-CB 3.24Å; D98-S205 WeakPolarHBondContact OD2-CB 3.44Å; D98-S205 PolarHBondContact OD2-OG 3.35Å; A203-S205 PolarHBondContact O-N 2.89Å; A203-S205 VanDerWaalsContact O-N 3.08Å; S205-L207 VanDerWaalsContact C-N 3.27Å; S205-L207 PolarHBondContact O-N 3Å; S205-G208 PolarHBondContact O-N 3.09Å
206K94Very high91.7Very high127 Ų12737.9 Ų37.955%0.55220%0.204SC*.G310 helixtrans-75.8-15.7178.5-62.9-63.1-175.71800113.2V202 A203 P204 G208V202-K206 HydrophobicContact CB-CB 3.99Å; V202-K206 HydrophobicContact CB-CG 4.45Å; V202-K206 HydrophobicContact CG2-CB 3.99Å; A203-K206 HydrophobicContact CB-CG 4.31Å; A203-K206 WeakPolarHBondContact O-CB 3.46Å; A203-K206 PolarHBondContact O-N 3.45Å; P204-K206 VanDerWaalsContact C-N 3.26Å; P204-K206 PolarHBondContact O-N 3.11Å; K206-G208 PolarHBondContact O-N 2.75Å
207L94.5Very high92.2Very high0 Ų037.4 Ų37.40%020%0.202CC..G310 helixtrans-68.3-29.2172.7-56.4176.2000111.1T194 L197 L200 V202 P204 S205 F236 E238 M239 L241T194-L207 HydrophobicContact CG2-CD1 3.9Å; L197-L207 HydrophobicContact CD1-CD1 4.37Å; L200-L207 HydrophobicContact CD1-CD1 4.26Å; L200-L207 HydrophobicContact CD2-CD1 4.07Å; L200-L207 HydrophobicContact CD2-CD2 4.17Å; V202-L207 HydrophobicContact CG2-CD2 3.92Å; P204-L207 WeakPolarHBondContact O-CB 3.18Å; P204-L207 WeakPolarHBondContact O-CG 3.24Å; P204-L207 PolarHBondContact O-N 3.38Å; S205-L207 VanDerWaalsContact C-N 3.27Å; S205-L207 PolarHBondContact O-N 3Å; L207-F236 HydrophobicContact CB-CB 4.05Å; L207-F236 HydrophobicContact CB-CD1 3.8Å; L207-F236 HydrophobicContact CB-CD2 4.08Å; L207-F236 HydrophobicContact CB-CE1 4.27Å; L207-F236 HydrophobicContact CB-CG 3.72Å; L207-F236 HydrophobicContact CD1-CD1 4.48Å; L207-F236 HydrophobicContact CD1-CD2 4.37Å; L207-F236 HydrophobicContact CD1-CE1 4.13Å; L207-F236 HydrophobicContact CD1-CE2 4Å; L207-F236 HydrophobicContact CD1-CZ 3.87Å; L207-F236 WeakPolarHBondContact O-CB 3.42Å; L207-E238 WeakPolarHBondContact O-CB 3.3Å; L207-E238 PolarHBondContact O-N 2.92Å; L207-M239 HydrophobicContact CD2-CB 3.99Å; L207-M239 HydrophobicContact CD2-CG 4.25Å; L207-M239 HydrophobicContact CD2-SD 3.72Å; L207-M239 PolarHBondContact O-N 3.09Å; L207-L241 HydrophobicContact CD1-CD1 4.24Å; L207-L241 HydrophobicContact CD2-CD1 4.32Å; L207-L241 HydrophobicContact CD2-CD2 4.04Å
208G92.7Very high92.5Very high11 Ų1137.4 Ų37.411%0.11320%0.202CC..  trans85.2-160.2-169.700000112.2S205 K206 T237S205-G208 PolarHBondContact O-N 3.09Å; K206-G208 PolarHBondContact O-N 2.75Å; G208-T237 VanDerWaalsContact CA-OG1 3.3Å; G208-T237 WeakPolarHBondContact CA-OG1 3.38Å
209H92.6Very high92.8Very high50 Ų5037.3 Ų37.323%0.23121%0.205CC..SBendtrans-78.9139.5-179.1-56.8-55000111R186 F236 T237R186-H209 HydrophobicContact CB-CB 4.42Å; H209-F236 CarbonylContact O-C 3.58Å; H209-F236 WeakPolarHBondContact O-CA 3.29Å; H209-F236 WeakPolarHBondContact O-CB 3.33Å; H209-T237 HydrophobicContact CB-CG2 3.9Å; H209-T237 PolarHBondContact N-OG1 2.83Å; H209-T237 PolarHBondContact O-N 3.22Å
210F95.5Very high92.9Very high48 Ų4839.4 Ų39.421%0.21120%0.204CC..EExtended strand (participates in β ladder)trans-59.5139.1168.7171.2-107.2000111.2D189 T190 V193 L212 E213 I234 F236D189-F210 HydrophobicContact CB-CD1 4.26Å; T190-F210 PolarHBondContact OG1-N 2.65Å; T190-F210 VanDerWaalsContact OG1-N 3.14Å; V193-F210 HydrophobicContact CB-CD2 4.36Å; V193-F210 HydrophobicContact CG1-CD2 4.26Å; V193-F210 HydrophobicContact CG2-CD1 4.2Å; V193-F210 HydrophobicContact CG2-CD2 3.77Å; V193-F210 HydrophobicContact CG2-CE1 4.32Å; V193-F210 HydrophobicContact CG2-CE2 3.9Å; V193-F210 HydrophobicContact CG2-CG 3.9Å; V193-F210 HydrophobicContact CG2-CZ 4.17Å; F210-L212 WeakPolarHBondContact CE2-O 3.27Å; F210-E213 HydrophobicContact CE2-CB 4.07Å; F210-E213 HydrophobicContact CE2-CG 4.35Å; F210-E213 HydrophobicContact CZ-CB 4.26Å; F210-E213 HydrophobicContact CZ-CG 4.07Å; F210-I234 HydrophobicContact CD2-CG2 3.93Å; F210-I234 HydrophobicContact CE2-CG2 3.91Å; F210-F236 HydrophobicContact CB-CD1 4.11Å; F210-F236 HydrophobicContact CB-CE1 3.98Å; F210-F236 HydrophobicContact CD2-CE1 4.44Å
211L94.9Very high92.5Very high59 Ų5941.6 Ų41.631%0.30922%0.218SC..EExtended strand (participates in β ladder)trans-124.5-57179.8-62.9174.6000112.5L235 T237 T336 L340L211-L235 HydrophobicContact CB-CD2 4.4Å; L211-L235 HydrophobicContact CB-CG 4.33Å; L211-L235 WeakPolarHBondContact CB-O 3.49Å; L211-L235 HydrophobicContact CD1-CD2 4.31Å; L211-L235 HydrophobicContact CD1-CG 4.22Å; L211-L235 PolarHBondContact N-O 2.88Å; L211-T237 HydrophobicContact CD1-CG2 3.88Å; L211-T237 HydrophobicContact CD2-CG2 3.97Å; L211-T237 HydrophobicContact CG-CG2 4.04Å; L211-T336 HydrophobicContact CD1-CG2 4.16Å; L211-L340 HydrophobicContact CD1-CD1 3.54Å; L211-L340 HydrophobicContact CD1-CD2 3.98Å; L211-L340 HydrophobicContact CD1-CG 4.2Å
212L95.7Very high92Very high31 Ų3140.7 Ų40.716%0.16221%0.21CC..EExtended strand (participates in β ladder)trans-147.7151.1-172.1-62.6172.9000110.9F210 L235 L332 W333 T336F210-L212 WeakPolarHBondContact CE2-O 3.27Å; L212-L235 HydrophobicContact CB-CB 4.28Å; L212-L235 HydrophobicContact CD1-CD2 4.2Å; L212-L235 PolarHBondContact N-O 3.06Å; L212-L235 PolarHBondContact O-N 2.84Å; L212-L332 HydrophobicContact CD1-CD2 4.46Å; L212-L332 HydrophobicContact CD1-CG 4Å; L212-L332 HydrophobicContact CD2-CD2 3.76Å; L212-L332 HydrophobicContact CD2-CG 4.08Å; L212-W333 HydrophobicContact CB-CH2 4.43Å; L212-W333 HydrophobicContact CB-CZ2 3.79Å; L212-W333 HydrophobicContact CD1-CD2 4.29Å; L212-W333 HydrophobicContact CD1-CG 4.13Å; L212-T336 HydrophobicContact CD1-CG2 4.02Å
213E94.1Very high91.1Very high98 Ų9848.5 Ų48.546%0.45824%0.241SC..EExtended strand (participates in β ladder)trans-137.3142.4166.364.4-179.1-164.200110.3F210 H232 V233 I234F210-E213 HydrophobicContact CE2-CB 4.07Å; F210-E213 HydrophobicContact CE2-CG 4.35Å; F210-E213 HydrophobicContact CZ-CB 4.26Å; F210-E213 HydrophobicContact CZ-CG 4.07Å; E213-H232 IonicContact OE2-NE2 2.85Å; E213-V233 VanDerWaalsContact CA-O 3.28Å; E213-V233 WeakPolarHBondContact CA-O 3.37Å; E213-I234 HydrophobicContact CB-CG1 4.23Å
214A93.9Very high89.9Confident18 Ų1853.7 Ų53.715%0.14928%0.277CS..EExtended strand (participates in β ladder)trans-165.6160.2176.500000111.4F216 V233 V329 W333A214-F216 HydrophobicContact CB-CD2 4.33Å; A214-F216 HydrophobicContact CB-CE2 3.59Å; A214-F216 HydrophobicContact CB-CZ 4Å; A214-F216 WeakPolarHBondContact O-CD2 3.49Å; A214-V233 PolarHBondContact N-O 3.32Å; A214-V233 PolarHBondContact O-N 2.85Å; A214-V329 HydrophobicContact CB-CG1 3.93Å; A214-W333 HydrophobicContact CB-CZ2 3.94Å
215D93.4Very high89.1Confident107 Ų10757.9 Ų57.957%0.57230%0.303SS*.EExtended strand (participates in β ladder)trans-88.7130.7176.7-61.7-36.6000111.1F231 H232D215-F231 WeakPolarHBondContact CA-O 3.18Å; D215-H232 WeakPolarHBondContact OD1-CB 3.41Å; D215-H232 IonicContact OD1-CE1 3.68Å; D215-H232 IonicContact OD1-CG 2.67Å; D215-H232 IonicContact OD1-ND1 2.68Å; D215-H232 PolarHBondContact OD1-ND1 3.17Å
216F94.5Very high88.4Confident4 Ų465.6 Ų65.62%0.01833%0.333CS..EExtended strand (participates in β ladder)trans-130.4149.5178.2-66-88000111.8A214 V218 H230 F231 V233 F309 F322 V329 W333A214-F216 HydrophobicContact CB-CD2 4.33Å; A214-F216 HydrophobicContact CB-CE2 3.59Å; A214-F216 HydrophobicContact CB-CZ 4Å; A214-F216 WeakPolarHBondContact O-CD2 3.49Å; F216-V218 HydrophobicContact CB-CG2 3.98Å; F216-H230 WeakPolarHBondContact O-CA 3.47Å; F216-F231 PolarHBondContact N-O 2.93Å; F216-F231 PolarHBondContact O-N 2.88Å; F216-V233 HydrophobicContact CB-CG2 4.08Å; F216-V233 HydrophobicContact CD2-CB 3.7Å; F216-V233 HydrophobicContact CD2-CG2 3.56Å; F216-V233 HydrophobicContact CE2-CB 4.12Å; F216-V233 HydrophobicContact CE2-CG2 4.44Å; F216-V233 HydrophobicContact CG-CG2 4.25Å; F216-F309 HydrophobicContact CD1-CE1 4.34Å; F216-F309 AromaticContact CE1-CE1 3.71Å; F216-F309 HydrophobicContact CE1-CE1 3.71Å; F216-F309 HydrophobicContact CE1-CZ 4.27Å; F216-F309 HydrophobicContact CZ-CE1 4.13Å; F216-F309 HydrophobicContact CZ-CZ 4.36Å; F216-F322 HydrophobicContact CB-CD1 4.12Å; F216-F322 HydrophobicContact CD1-CB 4.01Å; F216-F322 HydrophobicContact CD2-CD1 4.42Å; F216-F322 HydrophobicContact CG-CB 4.37Å; F216-F322 HydrophobicContact CG-CD1 4.12Å; F216-V329 HydrophobicContact CE1-CG1 4.35Å; F216-V329 HydrophobicContact CZ-CG1 3.97Å; F216-W333 AromaticContact CE2-CD2 3.87Å; F216-W333 HydrophobicContact CE2-CD2 3.87Å; F216-W333 AromaticContact CE2-CE2 3.61Å; F216-W333 HydrophobicContact CE2-CE3 4.15Å; F216-W333 AromaticContact CE2-CH2 4Å; F216-W333 HydrophobicContact CE2-CH2 4Å; F216-W333 AromaticContact CE2-CZ2 3.7Å; F216-W333 HydrophobicContact CE2-CZ2 3.7Å; F216-W333 HydrophobicContact CE2-CZ3 4.2Å; F216-W333 AromaticContact CZ-CD1 3.95Å; F216-W333 AromaticContact CZ-CD2 3.65Å; F216-W333 HydrophobicContact CZ-CD2 3.65Å; F216-W333 AromaticContact CZ-CE2 3.67Å; F216-W333 HydrophobicContact CZ-CE3 4.19Å; F216-W333 AromaticContact CZ-CG 3.85Å; F216-W333 HydrophobicContact CZ-CG 3.85Å; F216-W333 HydrophobicContact CZ-CZ2 4.25Å; F216-W333 AromaticContact CZ-NE1 3.8Å
217T94.1Very high88Confident14 Ų1461.7 Ų61.79%0.08632%0.322CS..EExtended strand (participates in β ladder)trans-88114.5158.8-49.40000107.8K228 H230 R323T217-K228 HydrophobicContact CG2-CD 4.2Å; T217-K228 HydrophobicContact CG2-CG 3.82Å; T217-H230 PolarHBondContact OG1-CE1 3.14Å; T217-H230 PolarHBondContact OG1-ND1 3.44Å; T217-R323 PolarHBondContact N-O 3.35Å; T217-R323 VanDerWaalsContact N-O 3.11Å; T217-R323 PolarHBondContact O-N 3.34Å
218V93.5Very high87.8Confident1 Ų167.8 Ų67.81%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-106.6122.2-176.5-171.40000109.5F216 K228 R229 F231 V233 L242 Y320 T321 F322F216-V218 HydrophobicContact CB-CG2 3.98Å; V218-K228 WeakPolarHBondContact O-CA 3.5Å; V218-R229 PolarHBondContact N-O 3.08Å; V218-R229 PolarHBondContact O-N 3.32Å; V218-F231 HydrophobicContact CB-CD2 3.77Å; V218-F231 HydrophobicContact CB-CE2 4.16Å; V218-F231 HydrophobicContact CG2-CB 4.35Å; V218-F231 HydrophobicContact CG2-CD2 3.77Å; V218-V233 HydrophobicContact CG2-CG2 4.39Å; V218-L242 HydrophobicContact CG2-CD2 4.31Å; V218-Y320 HydrophobicContact CG1-CD1 4.33Å; V218-T321 WeakPolarHBondContact CA-O 3.48Å; V218-F322 HydrophobicContact CG1-CD1 4.41Å; V218-F322 HydrophobicContact CG1-CE1 4.27Å; V218-F322 HydrophobicContact CG1-CZ 4.43Å; V218-F322 HydrophobicContact CG2-CD1 3.61Å; V218-F322 HydrophobicContact CG2-CE1 3.78Å; V218-F322 HydrophobicContact CG2-CG 4.4Å
219N91.1Very high87.7Confident48 Ų4873 Ų7326%0.25737%0.365SS..EExtended strand (participates in β ladder)trans-93.1114.7166.8-63.4-27.3000108.2S227 K228 T321N219-S227 CarbonylContact C-O 3.58Å; N219-S227 WeakPolarHBondContact CA-O 3.2Å; N219-K228 WeakPolarHBondContact OD1-CB 3.09Å; N219-K228 WeakPolarHBondContact OD1-CD 3.29Å; N219-K228 WeakPolarHBondContact OD1-CG 3.46Å; N219-T321 PolarHBondContact N-O 3.38Å; N219-T321 PolarHBondContact O-N 3.28Å
220R87.9Confident87.6Confident73 Ų7377.6 Ų77.628%0.27539%0.386SS..EExtended strand (participates in β ladder)trans-98.5133.9176.6-170-179.9-177.4-163.4-4.5109.8I222 K226 S227 E291 Y320R220-I222 HydrophobicContact CG-CD1 4.25Å; R220-I222 HydrophobicContact CG-CG1 3.78Å; R220-I222 VanDerWaalsContact NE-CG1 3.33Å; R220-K226 WeakPolarHBondContact O-CA 3.05Å; R220-S227 PolarHBondContact N-O 3.18Å; R220-S227 PolarHBondContact O-N 3.43Å; R220-E291 IonicContact CZ-OE1 3.9Å; R220-E291 IonicContact CZ-OE2 2.66Å; R220-E291 IonicContact NE-OE1 2.69Å; R220-E291 PolarHBondContact NE-OE1 3.41Å; R220-E291 IonicContact NE-OE2 3.55Å; R220-E291 PolarHBondContact NE-OE2 3.19Å; R220-E291 IonicContact NH1-OE1 2.86Å; R220-E291 IonicContact NH1-OE2 3.25Å; R220-E291 PolarHBondContact NH1-OE2 3.3Å; R220-E291 VanDerWaalsContact NH1-OE2 3.16Å; R220-E291 IonicContact NH2-OE1 3.49Å; R220-E291 PolarHBondContact NH2-OE1 3.08Å; R220-E291 IonicContact NH2-OE2 3.68Å; R220-Y320 HydrophobicContact CB-CD1 4.4Å; R220-Y320 HydrophobicContact CG-CD1 3.95Å; R220-Y320 HydrophobicContact CG-CE1 3.71Å
221T83.2Confident87.6Confident50 Ų5076 Ų7631%0.30738%0.379SS..EExtended strand (participates in β ladder)trans-121.9113.2171.650.10000108.9T225 K226 S318 T319T221-T225 WeakPolarHBondContact CA-O 3.32Å; T221-K226 HydrophobicContact CG2-CD 4.41Å; T221-K226 HydrophobicContact CG2-CG 3.88Å; T221-S318 WeakPolarHBondContact O-CA 3.45Å; T221-T319 PolarHBondContact N-O 3.16Å; T221-T319 PolarHBondContact O-N 2.89Å; T221-T319 VanDerWaalsContact OG1-CB 3.28Å; T221-T319 WeakPolarHBondContact OG1-CB 3.46Å; T221-T319 PolarHBondContact OG1-O 2.99Å
222I77.8Confident87.5Confident43 Ų4374 Ų7422%0.22137%0.368CS..EExtended strand (participates in β ladder)trans-127.7120.3176.1-38.2160.5000107.4R220 S224 T225R220-I222 HydrophobicContact CG-CD1 4.25Å; R220-I222 HydrophobicContact CG-CG1 3.78Å; R220-I222 VanDerWaalsContact NE-CG1 3.33Å; I222-S224 PolarHBondContact O-N 3.06Å; I222-T225 PolarHBondContact N-O 3.1Å; I222-T225 PolarHBondContact O-N 3.37Å; I222-T225 PolarHBondContact O-OG1 3.35Å
223K71.3Confident87.5Confident199 Ų19972.5 Ų72.587%0.86536%0.36SS*.THydrogen-bonded Turntrans39.348171.2-61.4-178179.7-178.40113.4
224S66.5Low87.6Confident122 Ų12267.8 Ų67.885%0.85334%0.338SS*.THydrogen-bonded Turntrans82.3-11.8-176.5-162.20000119.2I222I222-S224 PolarHBondContact O-N 3.06Å
225T76.9Confident87.7Confident91 Ų9167 Ų6756%0.55833%0.331SS*.EExtended strand (participates in β ladder)trans-80.9128.2173.360.80000110.9T221 I222T221-T225 WeakPolarHBondContact CA-O 3.32Å; I222-T225 PolarHBondContact N-O 3.1Å; I222-T225 PolarHBondContact O-N 3.37Å; I222-T225 PolarHBondContact O-OG1 3.35Å
226K78.8Confident87.9Confident183 Ų18361.9 Ų61.980%0.79630%0.304SS*.EExtended strand (participates in β ladder)trans-109.2125174.5-67.6-174.3-177.81750109.3R220 T221R220-K226 WeakPolarHBondContact O-CA 3.05Å; T221-K226 HydrophobicContact CG2-CD 4.41Å; T221-K226 HydrophobicContact CG2-CG 3.88Å
227S86.3Confident87.8Confident46 Ų4662.7 Ų62.732%0.32231%0.31SS..EExtended strand (participates in β ladder)trans-129140.8169.575.10000110.2N219 R220N219-S227 CarbonylContact C-O 3.58Å; N219-S227 WeakPolarHBondContact CA-O 3.2Å; R220-S227 PolarHBondContact N-O 3.18Å; R220-S227 PolarHBondContact O-N 3.43Å
228K88.5Confident87.8Confident128 Ų12865.4 Ų65.456%0.55732%0.321SS*.EExtended strand (participates in β ladder)trans-118.5120.6175.4176.4175.2-179.7-164.70108.1T217 V218 N219T217-K228 HydrophobicContact CG2-CD 4.2Å; T217-K228 HydrophobicContact CG2-CG 3.82Å; V218-K228 WeakPolarHBondContact O-CA 3.5Å; N219-K228 WeakPolarHBondContact OD1-CB 3.09Å; N219-K228 WeakPolarHBondContact OD1-CD 3.29Å; N219-K228 WeakPolarHBondContact OD1-CG 3.46Å
229R91.5Very high87.8Confident121 Ų12166.1 Ų66.146%0.45733%0.325SS..EExtended strand (participates in β ladder)trans-143.2154.7-179.3-68.6-177.2179.9174.10110.7V218 F231 E290V218-R229 PolarHBondContact N-O 3.08Å; V218-R229 PolarHBondContact O-N 3.32Å; R229-F231 HydrophobicContact CB-CD2 4.1Å; R229-F231 HydrophobicContact CB-CE2 3.49Å; R229-F231 VanDerWaalsContact CB-CE2 3.49Å; R229-F231 HydrophobicContact CB-CZ 3.86Å; R229-E290 IonicContact NH1-OE2 3.31Å
230H91.5Very high88Confident145 Ų14563.8 Ų63.867%0.67131%0.312SS*.EExtended strand (participates in β ladder)trans-87.4129.1170.3-67.2-82.9000108.9F216 T217F216-H230 WeakPolarHBondContact O-CA 3.47Å; T217-H230 PolarHBondContact OG1-CE1 3.14Å; T217-H230 PolarHBondContact OG1-ND1 3.44Å
231F93.5Very high88.4Confident14 Ų1460.3 Ų60.36%0.06130%0.299CS..EExtended strand (participates in β ladder)trans-129144.8176.8-67.5-82.4000109.7D215 F216 V218 R229 V233 L242 T243 K244 E290D215-F231 WeakPolarHBondContact CA-O 3.18Å; F216-F231 PolarHBondContact N-O 2.93Å; F216-F231 PolarHBondContact O-N 2.88Å; V218-F231 HydrophobicContact CB-CD2 3.77Å; V218-F231 HydrophobicContact CB-CE2 4.16Å; V218-F231 HydrophobicContact CG2-CB 4.35Å; V218-F231 HydrophobicContact CG2-CD2 3.77Å; R229-F231 HydrophobicContact CB-CD2 4.1Å; R229-F231 HydrophobicContact CB-CE2 3.49Å; R229-F231 VanDerWaalsContact CB-CE2 3.49Å; R229-F231 HydrophobicContact CB-CZ 3.86Å; F231-V233 HydrophobicContact CB-CG2 4.03Å; F231-L242 HydrophobicContact CB-CB 4.46Å; F231-L242 HydrophobicContact CB-CD2 4.47Å; F231-L242 HydrophobicContact CD1-CB 3.86Å; F231-L242 HydrophobicContact CD2-CD1 4.47Å; F231-L242 HydrophobicContact CE1-CB 4.17Å; F231-L242 HydrophobicContact CE2-CD1 4.34Å; F231-L242 HydrophobicContact CG-CB 4.1Å; F231-T243 WeakPolarHBondContact CA-O 3.24Å; F231-K244 HydrophobicContact CD1-CG 4.31Å; F231-K244 HydrophobicContact CE1-CG 4.32Å; F231-E290 HydrophobicContact CE1-CB 4.13Å; F231-E290 HydrophobicContact CE1-CG 4.25Å
232H93.4Very high89Confident17 Ų1758 Ų588%0.07929%0.285CS..EExtended strand (participates in β ladder)trans-83.8116.3158.3-17570.9000106.8E213 D215 T243 Y287E213-H232 IonicContact OE2-NE2 2.85Å; D215-H232 WeakPolarHBondContact OD1-CB 3.41Å; D215-H232 IonicContact OD1-CE1 3.68Å; D215-H232 IonicContact OD1-CG 2.67Å; D215-H232 IonicContact OD1-ND1 2.68Å; D215-H232 PolarHBondContact OD1-ND1 3.17Å; H232-T243 PolarHBondContact N-O 2.84Å; H232-T243 WeakPolarHBondContact O-CA 3.14Å; H232-T243 WeakPolarHBondContact O-CB 3.18Å; H232-T243 PolarHBondContact O-N 3Å; H232-T243 PolarHBondContact O-OG1 3.4Å; H232-Y287 HydrophobicContact CB-CD1 4.07Å; H232-Y287 HydrophobicContact CB-CE1 3.7Å; H232-Y287 AromaticContact CD2-CD1 3.79Å; H232-Y287 AromaticContact CD2-CE1 3.3Å; H232-Y287 WeakPolarHBondContact CD2-CE1 3.43Å; H232-Y287 AromaticContact CD2-CE2 3.95Å; H232-Y287 AromaticContact CD2-CZ 3.36Å; H232-Y287 AromaticContact CG-CE1 3.5Å; H232-Y287 VanDerWaalsContact CG-CE1 3.5Å; H232-Y287 AromaticContact CG-CZ 3.88Å; H232-Y287 AromaticContact NE2-CZ 3.62Å; H232-Y287 PolarHBondContact NE2-OH 3.23Å
233V95.4Very high89.7Confident0 Ų055.9 Ų55.90%027%0.274CS..EExtended strand (participates in β ladder)trans-105.1131.8-172.7-1740000108.7E213 A214 F216 V218 F231 L240 L241 L242 F322 W333E213-V233 VanDerWaalsContact CA-O 3.28Å; E213-V233 WeakPolarHBondContact CA-O 3.37Å; A214-V233 PolarHBondContact N-O 3.32Å; A214-V233 PolarHBondContact O-N 2.85Å; F216-V233 HydrophobicContact CB-CG2 4.08Å; F216-V233 HydrophobicContact CD2-CB 3.7Å; F216-V233 HydrophobicContact CD2-CG2 3.56Å; F216-V233 HydrophobicContact CE2-CB 4.12Å; F216-V233 HydrophobicContact CE2-CG2 4.44Å; F216-V233 HydrophobicContact CG-CG2 4.25Å; V218-V233 HydrophobicContact CG2-CG2 4.39Å; F231-V233 HydrophobicContact CB-CG2 4.03Å; V233-L240 HydrophobicContact CG1-CD1 4.03Å; V233-L240 HydrophobicContact CG1-CD2 3.66Å; V233-L240 HydrophobicContact CG1-CG 3.77Å; V233-L241 WeakPolarHBondContact CA-O 3.5Å; V233-L242 HydrophobicContact CG1-CD2 4.12Å; V233-L242 HydrophobicContact CG2-CD2 3.74Å; V233-F322 HydrophobicContact CG1-CE1 4.03Å; V233-F322 HydrophobicContact CG2-CD1 4.25Å; V233-F322 HydrophobicContact CG2-CE1 3.99Å; V233-W333 HydrophobicContact CB-CH2 3.98Å; V233-W333 HydrophobicContact CB-CZ3 4.39Å; V233-W333 HydrophobicContact CG1-CH2 3.67Å; V233-W333 HydrophobicContact CG1-CZ3 3.69Å; V233-W333 WeakPolarHBondContact O-CH2 3.28Å
234I96Very high90.6Very high0 Ų049.7 Ų49.70%025%0.247CC..EExtended strand (participates in β ladder)trans-122.1124.4-178.8-53.6172.6000108V193 L197 F210 E213 F236 L240 L241 T243V193-I234 HydrophobicContact CG1-CD1 4.03Å; V193-I234 HydrophobicContact CG1-CG2 3.86Å; L197-I234 HydrophobicContact CD2-CD1 3.6Å; F210-I234 HydrophobicContact CD2-CG2 3.93Å; F210-I234 HydrophobicContact CE2-CG2 3.91Å; E213-I234 HydrophobicContact CB-CG1 4.23Å; I234-F236 HydrophobicContact CB-CE2 4.09Å; I234-F236 HydrophobicContact CG2-CD2 4.03Å; I234-F236 HydrophobicContact CG2-CE2 3.3Å; I234-F236 HydrophobicContact CG2-CZ 3.69Å; I234-L240 WeakPolarHBondContact O-CA 2.98Å; I234-L241 HydrophobicContact CB-CB 4.41Å; I234-L241 PolarHBondContact N-O 2.81Å; I234-L241 PolarHBondContact O-N 3.16Å; I234-T243 HydrophobicContact CD1-CG2 4.16Å
235L96.9Very high91.3Very high0 Ų049.9 Ų49.90%023%0.23CC..EExtended strand (participates in β ladder)trans-103.6124.7179.4-179.567.2000109.9L211 L212 L240 L295 W333 T336 I337L211-L235 HydrophobicContact CB-CD2 4.4Å; L211-L235 HydrophobicContact CB-CG 4.33Å; L211-L235 WeakPolarHBondContact CB-O 3.49Å; L211-L235 HydrophobicContact CD1-CD2 4.31Å; L211-L235 HydrophobicContact CD1-CG 4.22Å; L211-L235 PolarHBondContact N-O 2.88Å; L212-L235 HydrophobicContact CB-CB 4.28Å; L212-L235 HydrophobicContact CD1-CD2 4.2Å; L212-L235 PolarHBondContact N-O 3.06Å; L212-L235 PolarHBondContact O-N 2.84Å; L235-L240 HydrophobicContact CD1-CB 4.14Å; L235-L240 HydrophobicContact CD1-CD1 4.17Å; L235-L240 HydrophobicContact CD1-CG 4.5Å; L235-L295 HydrophobicContact CD1-CD1 3.76Å; L235-L295 HydrophobicContact CD1-CD2 4.21Å; L235-W333 HydrophobicContact CB-CE3 4.44Å; L235-W333 HydrophobicContact CB-CH2 3.75Å; L235-W333 HydrophobicContact CB-CZ3 3.69Å; L235-W333 HydrophobicContact CD2-CE3 4.39Å; L235-W333 HydrophobicContact CD2-CZ3 4.42Å; L235-T336 HydrophobicContact CD2-CG2 3.93Å; L235-I337 HydrophobicContact CD1-CG1 4.26Å; L235-I337 HydrophobicContact CD2-CG1 3.89Å
236F96.6Very high90.8Very high0 Ų049.5 Ų49.50%022%0.219CC..EExtended strand (participates in β ladder)trans-111.5174.5167-59.2-99.2000110T190 V193 T194 L197 L207 H209 F210 I234 E238 M239 L241 L295T190-F236 HydrophobicContact CG2-CD1 4.46Å; T190-F236 HydrophobicContact CG2-CE1 4.12Å; V193-F236 HydrophobicContact CG1-CZ 3.91Å; T194-F236 HydrophobicContact CG2-CE1 4.14Å; T194-F236 HydrophobicContact CG2-CZ 4.21Å; L197-F236 HydrophobicContact CD1-CE2 4.44Å; L197-F236 HydrophobicContact CD1-CZ 4.15Å; L207-F236 HydrophobicContact CB-CB 4.05Å; L207-F236 HydrophobicContact CB-CD1 3.8Å; L207-F236 HydrophobicContact CB-CD2 4.08Å; L207-F236 HydrophobicContact CB-CE1 4.27Å; L207-F236 HydrophobicContact CB-CG 3.72Å; L207-F236 HydrophobicContact CD1-CD1 4.48Å; L207-F236 HydrophobicContact CD1-CD2 4.37Å; L207-F236 HydrophobicContact CD1-CE1 4.13Å; L207-F236 HydrophobicContact CD1-CE2 4Å; L207-F236 HydrophobicContact CD1-CZ 3.87Å; L207-F236 WeakPolarHBondContact O-CB 3.42Å; H209-F236 CarbonylContact O-C 3.58Å; H209-F236 WeakPolarHBondContact O-CA 3.29Å; H209-F236 WeakPolarHBondContact O-CB 3.33Å; F210-F236 HydrophobicContact CB-CD1 4.11Å; F210-F236 HydrophobicContact CB-CE1 3.98Å; F210-F236 HydrophobicContact CD2-CE1 4.44Å; I234-F236 HydrophobicContact CB-CE2 4.09Å; I234-F236 HydrophobicContact CG2-CD2 4.03Å; I234-F236 HydrophobicContact CG2-CE2 3.3Å; I234-F236 HydrophobicContact CG2-CZ 3.69Å; F236-E238 VanDerWaalsContact C-N 3.33Å; F236-E238 PolarHBondContact O-N 3.16Å; F236-M239 WeakPolarHBondContact CA-O 3.49Å; F236-M239 WeakPolarHBondContact CB-O 3.39Å; F236-M239 PolarHBondContact N-O 3.37Å; F236-L241 HydrophobicContact CD2-CD1 4.29Å; F236-L241 HydrophobicContact CD2-CG 4.25Å; F236-L241 HydrophobicContact CE2-CD1 3.61Å; F236-L241 HydrophobicContact CE2-CG 3.99Å; F236-L241 HydrophobicContact CZ-CD1 4.46Å; F236-L295 WeakPolarHBondContact O-CD1 3.47Å
237T93.7Very high89.7Confident22 Ų2245.1 Ų45.114%0.13521%0.207CC..SBendtrans-67.9-29.3-179.356.30000113.9G208 H209 L211 L295 L340G208-T237 VanDerWaalsContact CA-OG1 3.3Å; G208-T237 WeakPolarHBondContact CA-OG1 3.38Å; H209-T237 HydrophobicContact CB-CG2 3.9Å; H209-T237 PolarHBondContact N-OG1 2.83Å; H209-T237 PolarHBondContact O-N 3.22Å; L211-T237 HydrophobicContact CD1-CG2 3.88Å; L211-T237 HydrophobicContact CD2-CG2 3.97Å; L211-T237 HydrophobicContact CG-CG2 4.04Å; T237-L295 WeakPolarHBondContact O-CD1 3.38Å; T237-L340 HydrophobicContact CG2-CD2 4.26Å
238E93.1Very high88Confident71 Ų7143.9 Ų43.933%0.33220%0.198SC..SBendtrans-110-23.4-179.1-52-50.1138.300113.2L207 F236 L295 H296L207-E238 WeakPolarHBondContact O-CB 3.3Å; L207-E238 PolarHBondContact O-N 2.92Å; F236-E238 VanDerWaalsContact C-N 3.33Å; F236-E238 PolarHBondContact O-N 3.16Å; E238-L295 WeakPolarHBondContact O-CB 3.09Å; E238-L295 PolarHBondContact O-N 2.85Å; E238-H296 IonicContact OE2-CD2 2.64Å
239M94.3Very high85.7Confident15 Ų1544.5 Ų44.57%0.07420%0.201CC..EExtended strand (participates in β ladder)trans-137.1150.7-176.1-65.8-160179.200113.7V202 L207 F236 L241 E292 I293V202-M239 HydrophobicContact CG1-CE 4.03Å; V202-M239 HydrophobicContact CG2-CE 3.9Å; V202-M239 HydrophobicContact CG2-SD 3.87Å; L207-M239 HydrophobicContact CD2-CB 3.99Å; L207-M239 HydrophobicContact CD2-CG 4.25Å; L207-M239 HydrophobicContact CD2-SD 3.72Å; L207-M239 PolarHBondContact O-N 3.09Å; F236-M239 WeakPolarHBondContact CA-O 3.49Å; F236-M239 WeakPolarHBondContact CB-O 3.39Å; F236-M239 PolarHBondContact N-O 3.37Å; M239-L241 HydrophobicContact CB-CD2 4.49Å; M239-E292 HydrophobicContact SD-CB 4.36Å; M239-I293 CarbonylContact C-O 3.47Å; M239-I293 WeakPolarHBondContact CA-O 3.15Å
240L95.7Very high83.1Confident0 Ų047.6 Ų47.60%022%0.218CC..EExtended strand (participates in β ladder)trans-114.9130166.9179155.2000109.1V233 I234 L235 L242 I293 L295 L311 F322 W333V233-L240 HydrophobicContact CG1-CD1 4.03Å; V233-L240 HydrophobicContact CG1-CD2 3.66Å; V233-L240 HydrophobicContact CG1-CG 3.77Å; I234-L240 WeakPolarHBondContact O-CA 2.98Å; L235-L240 HydrophobicContact CD1-CB 4.14Å; L235-L240 HydrophobicContact CD1-CD1 4.17Å; L235-L240 HydrophobicContact CD1-CG 4.5Å; L240-L242 HydrophobicContact CD2-CD2 3.88Å; L240-L242 HydrophobicContact CD2-CG 4.42Å; L240-I293 HydrophobicContact CB-CB 4.39Å; L240-I293 HydrophobicContact CD2-CD1 4.01Å; L240-I293 PolarHBondContact N-O 2.85Å; L240-I293 PolarHBondContact O-N 3.48Å; L240-L295 HydrophobicContact CB-CD2 4.03Å; L240-L311 HydrophobicContact CD1-CD1 3.76Å; L240-F322 HydrophobicContact CD1-CZ 4.34Å; L240-F322 HydrophobicContact CD2-CE1 4.28Å; L240-F322 HydrophobicContact CD2-CZ 4Å; L240-W333 HydrophobicContact CD1-CZ3 4.02Å
241L95.7Very high80.8Confident0 Ų042.9 Ų42.90%020%0.199CC..EExtended strand (participates in β ladder)trans-107.9130-177.7-53.6-173000110.7L197 L200 L207 V233 I234 F236 M239 T243 V289 E291 E292L197-L241 HydrophobicContact CD1-CD1 3.6Å; L197-L241 HydrophobicContact CD2-CD1 4.46Å; L200-L241 HydrophobicContact CD2-CD1 3.86Å; L207-L241 HydrophobicContact CD1-CD1 4.24Å; L207-L241 HydrophobicContact CD2-CD1 4.32Å; L207-L241 HydrophobicContact CD2-CD2 4.04Å; V233-L241 WeakPolarHBondContact CA-O 3.5Å; I234-L241 HydrophobicContact CB-CB 4.41Å; I234-L241 PolarHBondContact N-O 2.81Å; I234-L241 PolarHBondContact O-N 3.16Å; F236-L241 HydrophobicContact CD2-CD1 4.29Å; F236-L241 HydrophobicContact CD2-CG 4.25Å; F236-L241 HydrophobicContact CE2-CD1 3.61Å; F236-L241 HydrophobicContact CE2-CG 3.99Å; F236-L241 HydrophobicContact CZ-CD1 4.46Å; M239-L241 HydrophobicContact CB-CD2 4.49Å; L241-T243 HydrophobicContact CB-CG2 4.03Å; L241-V289 HydrophobicContact CD1-CG2 4.25Å; L241-V289 HydrophobicContact CD2-CG1 4.41Å; L241-E291 WeakPolarHBondContact CA-O 3.37Å; L241-E292 HydrophobicContact CD2-CB 4.06Å; L241-E292 HydrophobicContact CD2-CG 3.82Å
242L94.7Very high77.9Confident0 Ų047.4 Ų47.40%023%0.233CC..EExtended strand (participates in β ladder)trans-94.3118.2164.4-57.4-174.7000108.6V218 F231 V233 L240 E290 E291 I293 Y320 F322V218-L242 HydrophobicContact CG2-CD2 4.31Å; F231-L242 HydrophobicContact CB-CB 4.46Å; F231-L242 HydrophobicContact CB-CD2 4.47Å; F231-L242 HydrophobicContact CD1-CB 3.86Å; F231-L242 HydrophobicContact CD2-CD1 4.47Å; F231-L242 HydrophobicContact CE1-CB 4.17Å; F231-L242 HydrophobicContact CE2-CD1 4.34Å; F231-L242 HydrophobicContact CG-CB 4.1Å; V233-L242 HydrophobicContact CG1-CD2 4.12Å; V233-L242 HydrophobicContact CG2-CD2 3.74Å; L240-L242 HydrophobicContact CD2-CD2 3.88Å; L240-L242 HydrophobicContact CD2-CG 4.42Å; L242-E290 PolarHBondContact O-N 2.95Å; L242-E291 HydrophobicContact CB-CB 4.03Å; L242-E291 HydrophobicContact CD1-CB 4.11Å; L242-E291 HydrophobicContact CG-CB 4.21Å; L242-E291 PolarHBondContact N-O 3.08Å; L242-E291 PolarHBondContact O-N 3.14Å; L242-I293 HydrophobicContact CD1-CD1 4.49Å; L242-I293 HydrophobicContact CG-CD1 4.49Å; L242-Y320 HydrophobicContact CD1-CD1 4.05Å; L242-Y320 HydrophobicContact CD1-CE1 4.15Å; L242-F322 HydrophobicContact CD2-CE1 3.7Å; L242-F322 HydrophobicContact CD2-CZ 4.09Å
243T93.6Very high75.6Confident0 Ų052.5 Ų52.50%026%0.259CS..EExtended strand (participates in β ladder)trans-123.9151-176.577.10000112.7L197 F231 H232 I234 L241 Y287 E288 V289L197-T243 HydrophobicContact CD2-CG2 4.11Å; F231-T243 WeakPolarHBondContact CA-O 3.24Å; H232-T243 PolarHBondContact N-O 2.84Å; H232-T243 WeakPolarHBondContact O-CA 3.14Å; H232-T243 WeakPolarHBondContact O-CB 3.18Å; H232-T243 PolarHBondContact O-N 3Å; H232-T243 PolarHBondContact O-OG1 3.4Å; I234-T243 HydrophobicContact CD1-CG2 4.16Å; L241-T243 HydrophobicContact CB-CG2 4.03Å; T243-Y287 WeakPolarHBondContact OG1-CD1 3.48Å; T243-E288 CarbonylContact C-O 3.52Å; T243-E288 WeakPolarHBondContact CA-O 3.5Å; T243-E288 WeakPolarHBondContact CB-O 3.36Å; T243-V289 HydrophobicContact CG2-CG2 4.13Å
244K89.2Confident72.7Confident68 Ų6855.5 Ų55.530%0.29628%0.28SS..EExtended strand (participates in β ladder)trans-106.1141.7168.2-74.3178.9-169.4158.80110.1F231 R246 Y287 E288 E290F231-K244 HydrophobicContact CD1-CG 4.31Å; F231-K244 HydrophobicContact CE1-CG 4.32Å; K244-R246 PolarHBondContact O-N 3.09Å; K244-Y287 WeakPolarHBondContact O-CA 3.35Å; K244-E288 PolarHBondContact N-O 2.94Å; K244-E288 PolarHBondContact O-N 3.01Å; K244-E290 HydrophobicContact CD-CG 3.99Å; K244-E290 WeakPolarHBondContact CD-OE1 3.46Å; K244-E290 VanDerWaalsContact CE-OE1 3.28Å; K244-E290 WeakPolarHBondContact CE-OE1 3.45Å; K244-E290 WeakPolarHBondContact CE-OE2 3.49Å; K244-E290 HydrophobicContact CG-CG 4.04Å; K244-E290 IonicContact NZ-OE1 2.76Å; K244-E290 PolarHBondContact NZ-OE1 2.98Å; K244-E290 IonicContact NZ-OE2 3.62Å; K244-E290 PolarHBondContact NZ-OE2 3.43Å
245Y81.4Confident69.7Low127 Ų12762.5 Ų62.550%0.49832%0.318SS..EExtended strand (participates in β ladder)trans-65.6123.6171-178.8-115.8000110.3V247 K285 Y287Y245-V247 HydrophobicContact CD1-CG2 3.96Å; Y245-V247 HydrophobicContact CE1-CB 4.27Å; Y245-V247 HydrophobicContact CE1-CG2 3.36Å; Y245-K285 HydrophobicContact CD2-CB 3.96Å; Y245-K285 HydrophobicContact CD2-CD 4.44Å; Y245-K285 HydrophobicContact CD2-CG 4.22Å; Y245-K285 HydrophobicContact CE2-CB 3.48Å; Y245-K285 VanDerWaalsContact CE2-CB 3.48Å; Y245-K285 HydrophobicContact CE2-CD 4.15Å; Y245-K285 HydrophobicContact CE2-CG 3.54Å; Y245-Y287 HydrophobicContact CD2-CE1 4.27Å
246R66.9Low66.6Low83 Ų8368.5 Ų68.531%0.31335%0.35SS..EExtended strand (participates in β ladder)trans-106.4110.5170.4-158172.9-174.4-150.8-3.8107.5K244 S248 H277 S286 E288K244-R246 PolarHBondContact O-N 3.09Å; R246-S248 PolarHBondContact O-N 2.93Å; R246-H277 PolarHBondContact NH1-CD2 3.36Å; R246-H277 PolarHBondContact NH1-NE2 3.15Å; R246-H277 PolarHBondContact NH2-NE2 2.83Å; R246-S286 PolarHBondContact N-O 3.37Å; R246-E288 IonicContact NE-OE2 2.95Å
247V55.6Low63.9Low91 Ų9178.7 Ų78.755%0.55239%0.394SS*.  trans-61115.3167.5-179.10000106.3Y245 F249Y245-V247 HydrophobicContact CD1-CG2 3.96Å; Y245-V247 HydrophobicContact CE1-CB 4.27Å; Y245-V247 HydrophobicContact CE1-CG2 3.36Å; V247-F249 PolarHBondContact O-N 3.43Å
248S50.5Low61.2Low20 Ų2081 Ų8114%0.1442%0.422CS..  trans-55.5114164.652.50000107.1R246 K250 N278R246-S248 PolarHBondContact O-N 2.93Å; S248-K250 PolarHBondContact O-N 3.4Å; S248-N278 WeakPolarHBondContact CB-O 3.3Å; S248-N278 PolarHBondContact OG-O 2.73Å
249F40.4Very low58.6Low141 Ų14182.7 Ų82.762%0.61844%0.442SS*.  trans-48.4117.4177.7-72.2-83.4000109V247 T251 S279V247-F249 PolarHBondContact O-N 3.43Å; F249-T251 VanDerWaalsContact C-N 3.35Å; F249-T251 PolarHBondContact O-N 3.25Å; F249-S279 WeakPolarHBondContact O-CB 3.13Å
250K37.9Very low56Low186 Ų18691.3 Ų91.381%0.80948%0.479SS*.  trans-63.6104165.7-84-176.4177.8177.10105.8S248 S252S248-K250 PolarHBondContact O-N 3.4Å; K250-S252 PolarHBondContact O-N 2.93Å
251T42.6Very low53.9Low46 Ų4696.9 Ų96.928%0.28251%0.509SS..  trans-7089.8169.151.30000107.1F249 I253 F272 S279F249-T251 VanDerWaalsContact C-N 3.35Å; F249-T251 PolarHBondContact O-N 3.25Å; T251-I253 PolarHBondContact O-N 3.49Å; T251-F272 HydrophobicContact CG2-CE1 4.07Å; T251-F272 HydrophobicContact CG2-CZ 3.93Å; T251-S279 PolarHBondContact OG1-OG 2.64Å
252S33.1Very low51.8Low109 Ų109105.8 Ų105.876%0.76255%0.55SS**  trans-62.779.1147.7-46.40000105.9K250 S254K250-S252 PolarHBondContact O-N 2.93Å; S252-S254 PolarHBondContact O-N 2.96Å
253I43.4Very low49.9Very low123 Ų123109.1 Ų109.163%0.63157%0.565SS**  trans-63.390.1143.8-62.2175000101.3T251 N255T251-I253 PolarHBondContact O-N 3.49Å; I253-N255 PolarHBondContact O-N 2.75Å
254S35.1Very low48.4Very low63 Ų63112.1 Ų112.144%0.44159%0.585SS.*  trans-47.4122.1169.9177.40000104.2S252 N256S252-S254 PolarHBondContact O-N 2.96Å; S254-N256 PolarHBondContact O-N 3.04Å; S254-N256 VanDerWaalsContact OG-CG 3.29Å; S254-N256 PolarHBondContact OG-N 3.46Å; S254-N256 PolarHBondContact OG-OD1 3.26Å
255N32.7Very low47.1Very low148 Ų148112 Ų11279%0.79159%0.587SS**  trans-64.464.9156.2-75.2-22000106.2I253 K257I253-N255 PolarHBondContact O-N 2.75Å; N255-K257 PolarHBondContact O-N 3Å
256N31.6Very low46.3Very low126 Ų126105.9 Ų105.967%0.67456%0.563SS**  trans-65.391.7164.2-911.1000103.4S254 G258S254-N256 PolarHBondContact O-N 3.04Å; S254-N256 VanDerWaalsContact OG-CG 3.29Å; S254-N256 PolarHBondContact OG-N 3.46Å; S254-N256 PolarHBondContact OG-OD1 3.26Å; N256-G258 PolarHBondContact O-N 3.35Å
257K40.4Very low46.1Very low213 Ų213103.6 Ų103.693%0.92656%0.557SS**THydrogen-bonded Turntrans-62.934.1165.7-73.8-178.9169.3179.80111.4N255N255-K257 PolarHBondContact O-N 3Å
258G37.5Very low46.6Very low71 Ų71104.5 Ų104.573%0.73256%0.559SS**THydrogen-bonded Turntrans-116.1-11.4-169.400000115.2N256N256-G258 PolarHBondContact O-N 3.35Å
259S38.4Very low47.4Very low107 Ų107104.8 Ų104.875%0.74856%0.557SS**SBendtrans-139.1120.2171.343.90000109.4D261S259-D261 PolarHBondContact O-N 3.48Å
260K40.2Very low48.6Very low195 Ų19598.7 Ų98.785%0.84853%0.531SS*.  trans-62.4127.2177.2-77.8174.5172.6175.50109.8
261D51.8Low49.8Very low117 Ų11792 Ų9263%0.62651%0.511SS*.SBendtrans62.748.1139.6-57.3-40000121S259S259-D261 PolarHBondContact O-N 3.48Å
262Q51.5Low50.6Low187 Ų18794.6 Ų94.687%0.87452%0.518SS*.  trans-125.9109.3150.5-77.9177.7-6.300109.9
263F54Low51.8Low70 Ų7090.6 Ų90.631%0.30749%0.487SS..PPolyproline II helixtrans-62138.3157.5-133.8-78.8000105.8Y116 N119 V120 D265 Y269Y116-F263 AromaticContact CD2-CD1 3.63Å; Y116-F263 HydrophobicContact CD2-CD1 3.63Å; Y116-F263 AromaticContact CD2-CE1 3.21Å; Y116-F263 HydrophobicContact CD2-CE1 3.21Å; Y116-F263 HydrophobicContact CD2-CZ 4.16Å; Y116-F263 AromaticContact CE2-CD1 3.16Å; Y116-F263 HydrophobicContact CE2-CD1 3.16Å; Y116-F263 AromaticContact CE2-CE1 3.31Å; Y116-F263 HydrophobicContact CE2-CE1 3.31Å; Y116-F263 HydrophobicContact CE2-CG 4.31Å; Y116-F263 HydrophobicContact CG-CE1 4.27Å; Y116-F263 AromaticContact CZ-CD1 3.93Å; N119-F263 HydrophobicContact CB-CE2 4.07Å; N119-F263 HydrophobicContact CB-CZ 4.36Å; V120-F263 HydrophobicContact CG2-CD1 4.5Å; V120-F263 HydrophobicContact CG2-CG 4.35Å; F263-D265 PolarHBondContact O-N 3.14Å; F263-Y269 HydrophobicContact CE1-CD2 4.43Å; F263-Y269 HydrophobicContact CE1-CE2 4.29Å
264P62.3Low52.4Low64 Ų6488.8 Ų88.842%0.41648%0.478SS..PPolyproline II helixtrans-52141.7173.122.1-34000109.1Y116 D268 Y269Y116-P264 PolarHBondContact OH-O 2.94Å; P264-D268 HydrophobicContact CB-CB 4.33Å; P264-Y269 HydrophobicContact CG-CD2 4.14Å
265D62.4Low53.1Low64 Ų6494 Ų9434%0.34249%0.494SS..PPolyproline II helixtrans-49.9149.2172.8-178.173000110I44 F263 D267 D268 Y269I44-D265 VanDerWaalsContact O-OD1 3.12Å; F263-D265 PolarHBondContact O-N 3.14Å; D265-D267 PolarHBondContact O-N 2.66Å; D265-D267 VanDerWaalsContact OD2-CB 3.27Å; D265-D267 WeakPolarHBondContact OD2-CB 3.49Å; D265-D267 PolarHBondContact OD2-N 2.93Å; D265-D268 PolarHBondContact O-N 3Å; D265-Y269 WeakPolarHBondContact O-CB 3.31Å; D265-Y269 PolarHBondContact O-N 3.31Å
266L63.4Low53.7Low0 Ų087.6 Ų87.60%046%0.46CS..Hα-helixtrans-60.6-32.1-175.3-178.965.1000111.3I44 T45 L52 L113 Y116 Y269 L270I44-L266 HydrophobicContact CG2-CB 4.28Å; I44-L266 VanDerWaalsContact O-CB 3.29Å; I44-L266 WeakPolarHBondContact O-CB 3.29Å; I44-L266 PolarHBondContact O-N 2.86Å; T45-L266 HydrophobicContact CG2-CB 3.74Å; T45-L266 HydrophobicContact CG2-CD2 3.21Å; T45-L266 HydrophobicContact CG2-CG 4.05Å; L52-L266 HydrophobicContact CD1-CD2 3.72Å; L52-L266 HydrophobicContact CD2-CD2 4.03Å; L113-L266 HydrophobicContact CD1-CD1 3.88Å; Y116-L266 HydrophobicContact CD1-CD1 3.65Å; Y116-L266 HydrophobicContact CE1-CB 4.17Å; Y116-L266 HydrophobicContact CE1-CD1 3.41Å; Y116-L266 VanDerWaalsContact CE1-CD1 3.41Å; Y116-L266 HydrophobicContact CE1-CG 4.32Å; Y116-L266 HydrophobicContact CG-CD1 4.43Å; Y116-L266 PolarHBondContact OH-N 2.56Å; L266-Y269 HydrophobicContact CD1-CD1 4.35Å; L266-Y269 PolarHBondContact O-N 2.76Å; L266-L270 HydrophobicContact CD1-CD1 4.11Å; L266-L270 HydrophobicContact CD1-CG 4Å; L266-L270 HydrophobicContact CD2-CD1 4.21Å; L266-L270 HydrophobicContact CG-CD1 3.78Å; L266-L270 HydrophobicContact CG-CG 4.13Å; L266-L270 VanDerWaalsContact O-CB 3.31Å; L266-L270 WeakPolarHBondContact O-CB 3.46Å; L266-L270 VanDerWaalsContact O-CG 3.23Å; L266-L270 WeakPolarHBondContact O-CG 3.46Å; L266-L270 PolarHBondContact O-N 2.99Å
267D64.2Low54.6Low34 Ų3484 Ų8418%0.18244%0.439CS..Hα-helixtrans-69.1-43.8-179.6-59.8-28.5000110.5Q46 I47 D265 L270 A271Q46-D267 VanDerWaalsContact CB-OD2 3.25Å; Q46-D267 WeakPolarHBondContact CB-OD2 3.31Å; Q46-D267 WeakPolarHBondContact CG-OD2 3.31Å; Q46-D267 PolarHBondContact N-OD2 2.89Å; I47-D267 WeakPolarHBondContact CD1-OD1 3.43Å; I47-D267 WeakPolarHBondContact CG1-OD1 3.12Å; D265-D267 PolarHBondContact O-N 2.66Å; D265-D267 VanDerWaalsContact OD2-CB 3.27Å; D265-D267 WeakPolarHBondContact OD2-CB 3.49Å; D265-D267 PolarHBondContact OD2-N 2.93Å; D267-L270 PolarHBondContact O-N 3.47Å; D267-A271 VanDerWaalsContact O-CB 3.29Å; D267-A271 WeakPolarHBondContact O-CB 3.18Å; D267-A271 PolarHBondContact O-N 3.14Å
268D65.8Low54.9Low110 Ų11075 Ų7559%0.58840%0.401SS*.Hα-helixtrans-63.3-42172.6-75-22.1000111.8P264 D265 F272P264-D268 HydrophobicContact CB-CB 4.33Å; D265-D268 PolarHBondContact O-N 3Å; D268-F272 WeakPolarHBondContact O-CB 3.45Å; D268-F272 PolarHBondContact O-N 3.18Å
269Y66.2Low55Low26 Ų2672.5 Ų72.510%0.10237%0.373CS..Hα-helixtrans-59.9-53.3175.6-174.6-96.1000109.5R112 Y116 F263 P264 D265 L266 F272 F273R112-Y269 PolarHBondContact O-OH 2.77Å; Y116-Y269 AromaticContact CD2-CD1 3.5Å; Y116-Y269 HydrophobicContact CD2-CD1 3.5Å; Y116-Y269 AromaticContact CD2-CD2 3.31Å; Y116-Y269 HydrophobicContact CD2-CD2 3.31Å; Y116-Y269 AromaticContact CD2-CE1 3.54Å; Y116-Y269 HydrophobicContact CD2-CE1 3.54Å; Y116-Y269 AromaticContact CD2-CE2 3.33Å; Y116-Y269 HydrophobicContact CD2-CE2 3.33Å; Y116-Y269 AromaticContact CD2-CG 3.4Å; Y116-Y269 HydrophobicContact CD2-CG 3.4Å; Y116-Y269 AromaticContact CD2-CZ 3.46Å; Y116-Y269 VanDerWaalsContact CD2-CZ 3.46Å; Y116-Y269 AromaticContact CE2-CD1 3.89Å; Y116-Y269 HydrophobicContact CE2-CD1 3.89Å; Y116-Y269 AromaticContact CE2-CD2 3.47Å; Y116-Y269 HydrophobicContact CE2-CD2 3.47Å; Y116-Y269 VanDerWaalsContact CE2-CD2 3.47Å; Y116-Y269 HydrophobicContact CE2-CE1 4.38Å; Y116-Y269 AromaticContact CE2-CE2 3.99Å; Y116-Y269 HydrophobicContact CE2-CE2 3.99Å; Y116-Y269 AromaticContact CE2-CG 3.41Å; Y116-Y269 HydrophobicContact CE2-CG 3.41Å; Y116-Y269 VanDerWaalsContact CE2-CG 3.41Å; Y116-Y269 AromaticContact CG-CD1 3.88Å; Y116-Y269 HydrophobicContact CG-CD1 3.88Å; Y116-Y269 HydrophobicContact CG-CD2 4.4Å; Y116-Y269 AromaticContact CG-CE1 3.71Å; Y116-Y269 HydrophobicContact CG-CE1 3.71Å; Y116-Y269 HydrophobicContact CG-CE2 4.24Å; Y116-Y269 HydrophobicContact CG-CG 4.24Å; Y116-Y269 AromaticContact CG-CZ 3.9Å; F263-Y269 HydrophobicContact CE1-CD2 4.43Å; F263-Y269 HydrophobicContact CE1-CE2 4.29Å; P264-Y269 HydrophobicContact CG-CD2 4.14Å; D265-Y269 WeakPolarHBondContact O-CB 3.31Å; D265-Y269 PolarHBondContact O-N 3.31Å; L266-Y269 HydrophobicContact CD1-CD1 4.35Å; L266-Y269 PolarHBondContact O-N 2.76Å; Y269-F272 CarbonylContact O-C 3.57Å; Y269-F272 WeakPolarHBondContact O-CA 3.36Å; Y269-F272 WeakPolarHBondContact O-CB 3.07Å; Y269-F272 PolarHBondContact O-N 3.15Å; Y269-F272 VanDerWaalsContact O-N 3.17Å; Y269-F273 AromaticContact CD1-CD2 3.4Å; Y269-F273 HydrophobicContact CD1-CD2 3.4Å; Y269-F273 VanDerWaalsContact CD1-CD2 3.4Å; Y269-F273 AromaticContact CD1-CE2 3.49Å; Y269-F273 HydrophobicContact CD1-CE2 3.49Å; Y269-F273 VanDerWaalsContact CD1-CE2 3.49Å; Y269-F273 HydrophobicContact CD2-CD2 4.15Å; Y269-F273 AromaticContact CD2-CE2 3.46Å; Y269-F273 HydrophobicContact CD2-CE2 3.46Å; Y269-F273 VanDerWaalsContact CD2-CE2 3.46Å; Y269-F273 HydrophobicContact CD2-CZ 4.4Å; Y269-F273 AromaticContact CE1-CD2 3.24Å; Y269-F273 HydrophobicContact CE1-CD2 3.24Å; Y269-F273 AromaticContact CE1-CE2 3.1Å; Y269-F273 HydrophobicContact CE1-CE2 3.1Å; Y269-F273 HydrophobicContact CE1-CG 4.31Å; Y269-F273 AromaticContact CE1-CZ 3.89Å; Y269-F273 HydrophobicContact CE1-CZ 3.89Å; Y269-F273 HydrophobicContact CE2-CD2 4.04Å; Y269-F273 AromaticContact CE2-CE2 3.08Å; Y269-F273 HydrophobicContact CE2-CE2 3.08Å; Y269-F273 AromaticContact CE2-CZ 3.64Å; Y269-F273 HydrophobicContact CE2-CZ 3.64Å; Y269-F273 AromaticContact CG-CD2 3.85Å; Y269-F273 HydrophobicContact CG-CD2 3.85Å; Y269-F273 AromaticContact CG-CE2 3.65Å; Y269-F273 HydrophobicContact CG-CE2 3.65Å; Y269-F273 AromaticContact CZ-CD2 3.58Å; Y269-F273 AromaticContact CZ-CE2 2.86Å; Y269-F273 AromaticContact CZ-CZ 3.32Å; Y269-F273 WeakPolarHBondContact O-CD2 3.15Å; Y269-F273 PolarHBondContact O-N 3.32Å; Y269-F273 WeakPolarHBondContact OH-CE2 2.98Å; Y269-F273 WeakPolarHBondContact OH-CZ 3.32Å
270L66.2Low55Low14 Ų1476.4 Ų76.47%0.07338%0.376CS..Hα-helixtrans-62.9-44.2-179.1-74.1171.8000112.8I47 K55 L113 L266 D267 F272 F273 D274I47-L270 HydrophobicContact CD1-CD1 3.23Å; K55-L270 HydrophobicContact CD-CD1 4.17Å; K55-L270 HydrophobicContact CD-CD2 4.25Å; L113-L270 HydrophobicContact CD1-CD2 4.11Å; L266-L270 HydrophobicContact CD1-CD1 4.11Å; L266-L270 HydrophobicContact CD1-CG 4Å; L266-L270 HydrophobicContact CD2-CD1 4.21Å; L266-L270 HydrophobicContact CG-CD1 3.78Å; L266-L270 HydrophobicContact CG-CG 4.13Å; L266-L270 VanDerWaalsContact O-CB 3.31Å; L266-L270 WeakPolarHBondContact O-CB 3.46Å; L266-L270 VanDerWaalsContact O-CG 3.23Å; L266-L270 WeakPolarHBondContact O-CG 3.46Å; L266-L270 PolarHBondContact O-N 2.99Å; D267-L270 PolarHBondContact O-N 3.47Å; L270-F272 VanDerWaalsContact C-N 3.29Å; L270-F272 PolarHBondContact O-N 3.33Å; L270-F273 PolarHBondContact O-N 3.46Å; L270-D274 PolarHBondContact O-N 2.86Å
271A63.2Low54.9Low46 Ų4670.3 Ų70.338%0.3835%0.353SS..Hα-helixtrans-56.3-48.6172.900000109.7D267 F273 D274 F275D267-A271 VanDerWaalsContact O-CB 3.29Å; D267-A271 WeakPolarHBondContact O-CB 3.18Å; D267-A271 PolarHBondContact O-N 3.14Å; A271-F273 VanDerWaalsContact C-N 3.32Å; A271-F273 PolarHBondContact O-N 3.36Å; A271-D274 PolarHBondContact O-N 3.43Å; A271-F275 WeakPolarHBondContact O-CD2 3.37Å; A271-F275 PolarHBondContact O-N 3.39Å; A271-F275 VanDerWaalsContact O-N 3.1Å
272F59.9Low54.4Low100 Ų10071.1 Ų71.144%0.43937%0.367SS..Hα-helixtrans-61-32.9174.8-176.6-97.4000113.1T251 D268 Y269 L270 F275 S276T251-F272 HydrophobicContact CG2-CE1 4.07Å; T251-F272 HydrophobicContact CG2-CZ 3.93Å; D268-F272 WeakPolarHBondContact O-CB 3.45Å; D268-F272 PolarHBondContact O-N 3.18Å; Y269-F272 CarbonylContact O-C 3.57Å; Y269-F272 WeakPolarHBondContact O-CA 3.36Å; Y269-F272 WeakPolarHBondContact O-CB 3.07Å; Y269-F272 PolarHBondContact O-N 3.15Å; Y269-F272 VanDerWaalsContact O-N 3.17Å; L270-F272 VanDerWaalsContact C-N 3.29Å; L270-F272 PolarHBondContact O-N 3.33Å; F272-F275 CarbonylContact O-C 3.53Å; F272-F275 PolarHBondContact O-N 2.88Å; F272-S276 WeakPolarHBondContact CD1-OG 3.42Å; F272-S276 VanDerWaalsContact CE1-CB 3.4Å; F272-S276 WeakPolarHBondContact CE1-OG 3.41Å; F272-S276 VanDerWaalsContact O-CA 3.32Å; F272-S276 WeakPolarHBondContact O-CA 3.17Å; F272-S276 WeakPolarHBondContact O-CB 3.21Å; F272-S276 PolarHBondContact O-N 3.09Å; F272-S276 PolarHBondContact O-OG 3.43Å
273F57.9Low54Low25 Ų2567 Ų6711%0.1136%0.358CS..Hα-helixtrans-75.3-33.8174.5-84.8-74.8000114R112 Y269 L270 A271 F275 S276R112-F273 HydrophobicContact CB-CD1 4.35Å; R112-F273 HydrophobicContact CB-CE1 3.97Å; R112-F273 VanDerWaalsContact CD-CE1 3.5Å; R112-F273 HydrophobicContact CG-CE1 4.06Å; Y269-F273 AromaticContact CD1-CD2 3.4Å; Y269-F273 HydrophobicContact CD1-CD2 3.4Å; Y269-F273 VanDerWaalsContact CD1-CD2 3.4Å; Y269-F273 AromaticContact CD1-CE2 3.49Å; Y269-F273 HydrophobicContact CD1-CE2 3.49Å; Y269-F273 VanDerWaalsContact CD1-CE2 3.49Å; Y269-F273 HydrophobicContact CD2-CD2 4.15Å; Y269-F273 AromaticContact CD2-CE2 3.46Å; Y269-F273 HydrophobicContact CD2-CE2 3.46Å; Y269-F273 VanDerWaalsContact CD2-CE2 3.46Å; Y269-F273 HydrophobicContact CD2-CZ 4.4Å; Y269-F273 AromaticContact CE1-CD2 3.24Å; Y269-F273 HydrophobicContact CE1-CD2 3.24Å; Y269-F273 AromaticContact CE1-CE2 3.1Å; Y269-F273 HydrophobicContact CE1-CE2 3.1Å; Y269-F273 HydrophobicContact CE1-CG 4.31Å; Y269-F273 AromaticContact CE1-CZ 3.89Å; Y269-F273 HydrophobicContact CE1-CZ 3.89Å; Y269-F273 HydrophobicContact CE2-CD2 4.04Å; Y269-F273 AromaticContact CE2-CE2 3.08Å; Y269-F273 HydrophobicContact CE2-CE2 3.08Å; Y269-F273 AromaticContact CE2-CZ 3.64Å; Y269-F273 HydrophobicContact CE2-CZ 3.64Å; Y269-F273 AromaticContact CG-CD2 3.85Å; Y269-F273 HydrophobicContact CG-CD2 3.85Å; Y269-F273 AromaticContact CG-CE2 3.65Å; Y269-F273 HydrophobicContact CG-CE2 3.65Å; Y269-F273 AromaticContact CZ-CD2 3.58Å; Y269-F273 AromaticContact CZ-CE2 2.86Å; Y269-F273 AromaticContact CZ-CZ 3.32Å; Y269-F273 WeakPolarHBondContact O-CD2 3.15Å; Y269-F273 PolarHBondContact O-N 3.32Å; Y269-F273 WeakPolarHBondContact OH-CE2 2.98Å; Y269-F273 WeakPolarHBondContact OH-CZ 3.32Å; L270-F273 PolarHBondContact O-N 3.46Å; A271-F273 VanDerWaalsContact C-N 3.32Å; A271-F273 PolarHBondContact O-N 3.36Å; F273-F275 PolarHBondContact O-N 3.03Å; F273-S276 PolarHBondContact O-N 2.92Å
274D56.4Low53.9Low84 Ų8466.1 Ų66.145%0.44936%0.357SS..Hα-helixtrans-64.2-27.2172.2-73.7-33.5000110.3K55 K109 L270 A271K55-D274 IonicContact NZ-OD2 3.62Å; K109-D274 IonicContact NZ-OD1 3.16Å; K109-D274 PolarHBondContact NZ-OD1 2.94Å; L270-D274 PolarHBondContact O-N 2.86Å; A271-D274 PolarHBondContact O-N 3.43Å
275F49.1Very low54.2Low174 Ų17468.5 Ų68.576%0.76336%0.36SS*.Hα-helixtrans-93.1-27.4171.3-70.3-70.2000116A271 F272 F273A271-F275 WeakPolarHBondContact O-CD2 3.37Å; A271-F275 PolarHBondContact O-N 3.39Å; A271-F275 VanDerWaalsContact O-N 3.1Å; F272-F275 CarbonylContact O-C 3.53Å; F272-F275 PolarHBondContact O-N 2.88Å; F273-F275 PolarHBondContact O-N 3.03Å
276S45.5Very low54.9Low13 Ų1365.8 Ų65.89%0.09135%0.347CS..SBendtrans-107.8120.2-168.775.50000114.1R112 F272 F273R112-S276 PolarHBondContact NH1-O 3.05Å; R112-S276 VanDerWaalsContact NH1-O 3.1Å; F272-S276 WeakPolarHBondContact CD1-OG 3.42Å; F272-S276 VanDerWaalsContact CE1-CB 3.4Å; F272-S276 WeakPolarHBondContact CE1-OG 3.41Å; F272-S276 VanDerWaalsContact O-CA 3.32Å; F272-S276 WeakPolarHBondContact O-CA 3.17Å; F272-S276 WeakPolarHBondContact O-CB 3.21Å; F272-S276 PolarHBondContact O-N 3.09Å; F272-S276 PolarHBondContact O-OG 3.43Å; F273-S276 PolarHBondContact O-N 2.92Å
277H50Low56Low50 Ų5066.8 Ų66.823%0.23135%0.351CS..  trans-89.6169.9-164.3-57.5-45.9000114.4R112 R246 S279R112-H277 PolarHBondContact NH2-O 3.1Å; R246-H277 PolarHBondContact NH1-CD2 3.36Å; R246-H277 PolarHBondContact NH1-NE2 3.15Å; R246-H277 PolarHBondContact NH2-NE2 2.83Å; H277-S279 PolarHBondContact O-N 2.84Å
278N46.7Very low57.2Low23 Ų2369 Ų6912%0.12336%0.36CS..  trans-53.984.1-172.1-70.5-11.3000114.2E108 R112 S248E108-N278 WeakPolarHBondContact CB-OD1 3.44Å; R112-N278 VanDerWaalsContact NH2-CA 3.26Å; S248-N278 WeakPolarHBondContact CB-O 3.3Å; S248-N278 PolarHBondContact OG-O 2.73Å
279S40.8Very low58.4Low20 Ų2064.5 Ų64.514%0.1434%0.336CS..  trans-92.9-14.2-171.662.40000115.7R112 F249 T251 H277R112-S279 PolarHBondContact NH2-OG 2.85Å; F249-S279 WeakPolarHBondContact O-CB 3.13Å; T251-S279 PolarHBondContact OG1-OG 2.64Å; H277-S279 PolarHBondContact O-N 2.84Å
280K38.1Very low59.6Low189 Ų18967.3 Ų67.382%0.82235%0.35SS*.SBendtrans-110.43.6-169.1-84.5-170.8178-178.50116.2
281L38.2Very low60.8Low67 Ų6768 Ų6835%0.35135%0.353SS..  trans-92.5114.9162-81.6153.3000107.2E108 C283E108-L281 VanDerWaalsContact CD-CD1 3.45Å; E108-L281 HydrophobicContact CG-CD1 4.26Å; E108-L281 WeakPolarHBondContact OE1-CD1 3.47Å; E108-L281 WeakPolarHBondContact OE2-CD1 3.44Å; L281-C283 PolarHBondContact O-N 3.32Å
282S40.4Very low62.2Low133 Ų13367.7 Ų67.793%0.9334%0.344SS*.THydrogen-bonded Turntrans-62.57.6-177.650.80000115.3
283C42.4Very low63.7Low100 Ų10063.2 Ų63.268%0.67632%0.324SS*.THydrogen-bonded Turntrans-138.9-17.4-168.9-173.70000116L281 K285L281-C283 PolarHBondContact O-N 3.32Å; C283-K285 PolarHBondContact O-N 3.04Å; C283-K285 VanDerWaalsContact O-N 3.16Å
284N53.6Low65.3Low53 Ų5364.2 Ų64.228%0.28333%0.334SS..  trans-92.499.4-167.7-74.815.9000112.9S286N284-S286 PolarHBondContact O-N 3.38Å
285K67.4Low66.9Low113 Ų11360.3 Ų60.349%0.49131%0.313SS..  trans-56.5121.4165.5-61.1-176.5-179.7173.30109.4N196 Y245 C283 Y287N196-K285 WeakPolarHBondContact CB-O 3.46Å; Y245-K285 HydrophobicContact CD2-CB 3.96Å; Y245-K285 HydrophobicContact CD2-CD 4.44Å; Y245-K285 HydrophobicContact CD2-CG 4.22Å; Y245-K285 HydrophobicContact CE2-CB 3.48Å; Y245-K285 VanDerWaalsContact CE2-CB 3.48Å; Y245-K285 HydrophobicContact CE2-CD 4.15Å; Y245-K285 HydrophobicContact CE2-CG 3.54Å; C283-K285 PolarHBondContact O-N 3.04Å; C283-K285 VanDerWaalsContact O-N 3.16Å; K285-Y287 HydrophobicContact CB-CE2 3.89Å; K285-Y287 VanDerWaalsContact CD-OH 3.24Å; K285-Y287 WeakPolarHBondContact CD-OH 3.48Å
286S78.1Confident68.6Low8 Ų856.9 Ų56.96%0.05630%0.299CS..EExtended strand (participates in β ladder)trans-94138.2169.2-64.40000108.8R246 N284R246-S286 PolarHBondContact N-O 3.37Å; N284-S286 PolarHBondContact O-N 3.38Å
287Y86.3Confident70.4Confident21 Ų2163.3 Ų63.38%0.08232%0.321CS..EExtended strand (participates in β ladder)trans-117.6129.8-178.8-65.4-75.6000110N196 L197 R198 H232 T243 K244 Y245 K285N196-Y287 PolarHBondContact O-N 3.19Å; L197-Y287 CarbonylContact C-O 3.48Å; R198-Y287 PolarHBondContact N-O 3.33Å; H232-Y287 HydrophobicContact CB-CD1 4.07Å; H232-Y287 HydrophobicContact CB-CE1 3.7Å; H232-Y287 AromaticContact CD2-CD1 3.79Å; H232-Y287 AromaticContact CD2-CE1 3.3Å; H232-Y287 WeakPolarHBondContact CD2-CE1 3.43Å; H232-Y287 AromaticContact CD2-CE2 3.95Å; H232-Y287 AromaticContact CD2-CZ 3.36Å; H232-Y287 AromaticContact CG-CE1 3.5Å; H232-Y287 VanDerWaalsContact CG-CE1 3.5Å; H232-Y287 AromaticContact CG-CZ 3.88Å; H232-Y287 AromaticContact NE2-CZ 3.62Å; H232-Y287 PolarHBondContact NE2-OH 3.23Å; T243-Y287 WeakPolarHBondContact OG1-CD1 3.48Å; K244-Y287 WeakPolarHBondContact O-CA 3.35Å; Y245-Y287 HydrophobicContact CD2-CE1 4.27Å; K285-Y287 HydrophobicContact CB-CE2 3.89Å; K285-Y287 VanDerWaalsContact CD-OH 3.24Å; K285-Y287 WeakPolarHBondContact CD-OH 3.48Å
288E89.3Confident72.3Confident81 Ų8161.9 Ų61.938%0.37932%0.315SS..EExtended strand (participates in β ladder)trans-95121172.4-173.2163.5-170.900108.9T243 K244 R246 E290T243-E288 CarbonylContact C-O 3.52Å; T243-E288 WeakPolarHBondContact CA-O 3.5Å; T243-E288 WeakPolarHBondContact CB-O 3.36Å; K244-E288 PolarHBondContact N-O 2.94Å; K244-E288 PolarHBondContact O-N 3.01Å; R246-E288 IonicContact NE-OE2 2.95Å; E288-E290 PolarHBondContact O-N 3.34Å
289V91.4Very high74.3Confident15 Ų1561.4 Ų61.49%0.09132%0.316CS..EExtended strand (participates in β ladder)trans-74.7117.5178.4179.20000108L197 R198 L200 L241 T243 E292L197-V289 HydrophobicContact CB-CG2 4.36Å; L197-V289 HydrophobicContact CD2-CG2 4.2Å; R198-V289 WeakPolarHBondContact O-CB 3.38Å; R198-V289 WeakPolarHBondContact O-CG2 3.4Å; R198-V289 PolarHBondContact O-N 3.4Å; L200-V289 HydrophobicContact CD2-CG2 3.9Å; L200-V289 HydrophobicContact CG-CG2 4.25Å; L241-V289 HydrophobicContact CD1-CG2 4.25Å; L241-V289 HydrophobicContact CD2-CG1 4.41Å; T243-V289 HydrophobicContact CG2-CG2 4.13Å; V289-E292 HydrophobicContact CG1-CG 3.71Å
290E91.1Very high76.7Confident85 Ų8561.9 Ų61.940%0.39732%0.317SS..EExtended strand (participates in β ladder)trans-95.5-28.8175.4-71.3-106.8157.300111.5R229 F231 L242 K244 E288R229-E290 IonicContact NH1-OE2 3.31Å; F231-E290 HydrophobicContact CE1-CB 4.13Å; F231-E290 HydrophobicContact CE1-CG 4.25Å; L242-E290 PolarHBondContact O-N 2.95Å; K244-E290 HydrophobicContact CD-CG 3.99Å; K244-E290 WeakPolarHBondContact CD-OE1 3.46Å; K244-E290 VanDerWaalsContact CE-OE1 3.28Å; K244-E290 WeakPolarHBondContact CE-OE1 3.45Å; K244-E290 WeakPolarHBondContact CE-OE2 3.49Å; K244-E290 HydrophobicContact CG-CG 4.04Å; K244-E290 IonicContact NZ-OE1 2.76Å; K244-E290 PolarHBondContact NZ-OE1 2.98Å; K244-E290 IonicContact NZ-OE2 3.62Å; K244-E290 PolarHBondContact NZ-OE2 3.43Å; E288-E290 PolarHBondContact O-N 3.34Å
291E91.2Very high79.2Confident28 Ų2858.4 Ų58.413%0.13130%0.302CS..EExtended strand (participates in β ladder)trans-154.4137.6-176-159.1155.2-171.500112.2R220 L241 L242 I293 Y320R220-E291 IonicContact CZ-OE1 3.9Å; R220-E291 IonicContact CZ-OE2 2.66Å; R220-E291 IonicContact NE-OE1 2.69Å; R220-E291 PolarHBondContact NE-OE1 3.41Å; R220-E291 IonicContact NE-OE2 3.55Å; R220-E291 PolarHBondContact NE-OE2 3.19Å; R220-E291 IonicContact NH1-OE1 2.86Å; R220-E291 IonicContact NH1-OE2 3.25Å; R220-E291 PolarHBondContact NH1-OE2 3.3Å; R220-E291 VanDerWaalsContact NH1-OE2 3.16Å; R220-E291 IonicContact NH2-OE1 3.49Å; R220-E291 PolarHBondContact NH2-OE1 3.08Å; R220-E291 IonicContact NH2-OE2 3.68Å; L241-E291 WeakPolarHBondContact CA-O 3.37Å; L242-E291 HydrophobicContact CB-CB 4.03Å; L242-E291 HydrophobicContact CD1-CB 4.11Å; L242-E291 HydrophobicContact CG-CB 4.21Å; L242-E291 PolarHBondContact N-O 3.08Å; L242-E291 PolarHBondContact O-N 3.14Å; E291-I293 HydrophobicContact CG-CG1 4.33Å; E291-Y320 PolarHBondContact OE1-OH 3.15Å; E291-Y320 WeakPolarHBondContact OE2-CE1 3.21Å
292E92.6Very high81.6Confident39 Ų3957.4 Ų57.418%0.18230%0.3CS..EExtended strand (participates in β ladder)trans-115.5117.9176.6-51.8-170.8161.100108.8L200 T201 M239 L241 V289L200-E292 WeakPolarHBondContact CA-OE1 3.35Å; L200-E292 WeakPolarHBondContact CD2-OE1 3.41Å; T201-E292 WeakPolarHBondContact CB-OE2 3.47Å; T201-E292 PolarHBondContact N-OE1 3.4Å; T201-E292 PolarHBondContact OG1-OE2 3.33Å; M239-E292 HydrophobicContact SD-CB 4.36Å; L241-E292 HydrophobicContact CD2-CB 4.06Å; L241-E292 HydrophobicContact CD2-CG 3.82Å; V289-E292 HydrophobicContact CG1-CG 3.71Å
293I92Very high83.6Confident7 Ų754.3 Ų54.34%0.03627%0.274CS..EExtended strand (participates in β ladder)trans-110.5113.3-177.7-60.3173.8000108.5M239 L240 L242 E291 L295 I298 Y320M239-I293 CarbonylContact C-O 3.47Å; M239-I293 WeakPolarHBondContact CA-O 3.15Å; L240-I293 HydrophobicContact CB-CB 4.39Å; L240-I293 HydrophobicContact CD2-CD1 4.01Å; L240-I293 PolarHBondContact N-O 2.85Å; L240-I293 PolarHBondContact O-N 3.48Å; L242-I293 HydrophobicContact CD1-CD1 4.49Å; L242-I293 HydrophobicContact CG-CD1 4.49Å; E291-I293 HydrophobicContact CG-CG1 4.33Å; I293-L295 PolarHBondContact O-N 2.83Å; I293-I298 HydrophobicContact CG2-CG2 3.64Å; I293-Y320 HydrophobicContact CD1-CD1 3.96Å; I293-Y320 HydrophobicContact CD1-CD2 3.93Å; I293-Y320 HydrophobicContact CD1-CE1 3.8Å; I293-Y320 HydrophobicContact CD1-CE2 3.81Å; I293-Y320 HydrophobicContact CD1-CG 4.02Å; I293-Y320 HydrophobicContact CG1-CE2 4.5Å
294C91.4Very high85.2Confident46 Ų4654 Ų5431%0.31127%0.273SS..EExtended strand (participates in β ladder)trans-70.2121.5176.3-73.60000111.7H296 R297C294-H296 VanDerWaalsContact C-N 3.35Å; C294-H296 PolarHBondContact O-N 2.81Å; C294-R297 PolarHBondContact O-N 3.29Å
295L89.9Confident86.1Confident1 Ų159.9 Ų59.91%0.00530%0.298CS..G310 helixtrans-73.7-22.7-173.8-65.4-179.2000114.2L235 F236 T237 E238 L240 I293 R297 I298 L340L235-L295 HydrophobicContact CD1-CD1 3.76Å; L235-L295 HydrophobicContact CD1-CD2 4.21Å; F236-L295 WeakPolarHBondContact O-CD1 3.47Å; T237-L295 WeakPolarHBondContact O-CD1 3.38Å; E238-L295 WeakPolarHBondContact O-CB 3.09Å; E238-L295 PolarHBondContact O-N 2.85Å; L240-L295 HydrophobicContact CB-CD2 4.03Å; I293-L295 PolarHBondContact O-N 2.83Å; L295-R297 PolarHBondContact O-N 2.9Å; L295-I298 HydrophobicContact CD2-CD1 3.44Å; L295-I298 VanDerWaalsContact CD2-CD1 3.44Å; L295-I298 HydrophobicContact CD2-CG1 4.36Å; L295-I298 VanDerWaalsContact O-CG1 3.3Å; L295-I298 WeakPolarHBondContact O-CG1 3.22Å; L295-L340 HydrophobicContact CD1-CD1 3.85Å
296H84.6Confident86.7Confident102 Ų10258.4 Ų58.447%0.47230%0.295SS..G310 helixtrans-71.7-4175.423.175.5000113.6E238 C294E238-H296 IonicContact OE2-CD2 2.64Å; C294-H296 VanDerWaalsContact C-N 3.35Å; C294-H296 PolarHBondContact O-N 2.81Å
297R83.2Confident87.2Confident148 Ų14864.7 Ų64.756%0.55832%0.318SS*.G310 helixtrans-126.923.2-176.1-61.5-166.1177.4-179.45.2113.4C294 L295 T313 E314C294-R297 PolarHBondContact O-N 3.29Å; L295-R297 PolarHBondContact O-N 2.9Å; R297-T313 CarbonylContact O-C 3.57Å; R297-T313 WeakPolarHBondContact O-CA 3.39Å; R297-E314 HydrophobicContact CB-CG 3.98Å; R297-E314 WeakPolarHBondContact CD-OE1 3.46Å; R297-E314 HydrophobicContact CG-CG 4.44Å; R297-E314 WeakPolarHBondContact CG-OE1 3.28Å; R297-E314 IonicContact NE-OE1 3.21Å; R297-E314 PolarHBondContact O-N 2.93Å; R297-E314 VanDerWaalsContact O-N 3.08Å
298I89.1Confident87.4Confident20 Ų2064.6 Ų64.610%0.10332%0.32CS..EExtended strand (participates in β ladder)trans-118.8155.8179.364.9166.1000111.7I293 L295 L311 F312 T313 I337 L341I293-I298 HydrophobicContact CG2-CG2 3.64Å; L295-I298 HydrophobicContact CD2-CD1 3.44Å; L295-I298 VanDerWaalsContact CD2-CD1 3.44Å; L295-I298 HydrophobicContact CD2-CG1 4.36Å; L295-I298 VanDerWaalsContact O-CG1 3.3Å; L295-I298 WeakPolarHBondContact O-CG1 3.22Å; I298-L311 HydrophobicContact CD1-CD1 4.11Å; I298-L311 HydrophobicContact CD1-CD2 4.06Å; I298-F312 CarbonylContact C-O 3.6Å; I298-F312 WeakPolarHBondContact CA-O 3.26Å; I298-T313 HydrophobicContact CG2-CG2 4.41Å; I298-I337 HydrophobicContact CD1-CG2 4.33Å; I298-L341 HydrophobicContact CG1-CD2 4.07Å
299G89.1Confident87.7Confident14 Ų1460.8 Ų60.814%0.14430%0.303CS..EExtended strand (participates in β ladder)trans-115.7156.9154.500000111.4L311 F312G299-L311 WeakPolarHBondContact O-CA 3.28Å; G299-F312 VanDerWaalsContact CA-CE2 3.48Å; G299-F312 PolarHBondContact N-O 2.82Å; G299-F312 VanDerWaalsContact O-CD1 3.29Å; G299-F312 WeakPolarHBondContact O-CD1 3.48Å; G299-F312 WeakPolarHBondContact O-CE1 3.35Å; G299-F312 PolarHBondContact O-N 2.85Å
300L91.9Very high87.7Confident29 Ų2961.1 Ų61.115%0.15231%0.306CS..EExtended strand (participates in β ladder)trans-111.4132.2-179.4173.965.2000109.6F309 L311 T334 I337 N338 L341L300-F309 HydrophobicContact CD1-CB 4.22Å; L300-F309 HydrophobicContact CD1-CD2 3.81Å; L300-F309 HydrophobicContact CD1-CG 4.41Å; L300-L311 HydrophobicContact CB-CD2 4.14Å; L300-L311 HydrophobicContact CD1-CD2 3.44Å; L300-L311 VanDerWaalsContact CD1-CD2 3.44Å; L300-L311 HydrophobicContact CG-CD2 4.37Å; L300-T334 HydrophobicContact CD1-CG2 4.42Å; L300-I337 HydrophobicContact CB-CG2 4.35Å; L300-I337 HydrophobicContact CD2-CB 4.09Å; L300-I337 HydrophobicContact CD2-CG2 3.93Å; L300-N338 WeakPolarHBondContact CD2-OD1 3.49Å; L300-L341 HydrophobicContact CB-CD1 3.99Å
301F89.9Confident87.8Confident116 Ų11657.1 Ų57.151%0.50929%0.287SS..EExtended strand (participates in β ladder)trans-123.5128.9168.8-175.6-97.8000109.8N303 F309 S310 F312F301-N303 WeakPolarHBondContact CE1-OD1 3.25Å; F301-N303 WeakPolarHBondContact CZ-OD1 3.48Å; F301-F309 CarbonylContact O-C 3.57Å; F301-F309 WeakPolarHBondContact O-CA 3.49Å; F301-S310 PolarHBondContact N-O 3.34Å; F301-S310 PolarHBondContact O-N 3.37Å; F301-F312 HydrophobicContact CB-CE1 4.41Å
302S89.1Confident87.7Confident46 Ų4658.2 Ų58.232%0.32229%0.291SS..EExtended strand (participates in β ladder)trans-143.4121.4179.1179.10000109.8K330S302-K330 VanDerWaalsContact OG-CE 3.24Å; S302-K330 WeakPolarHBondContact OG-CE 3.46Å
303N81.1Confident87.5Confident68 Ų6857.9 Ų57.936%0.36429%0.292SS..  trans-85.9144.2172.9-74.2-16.5000110.3F301 H305 K330F301-N303 WeakPolarHBondContact CE1-OD1 3.25Å; F301-N303 WeakPolarHBondContact CZ-OD1 3.48Å; N303-H305 VanDerWaalsContact C-N 3.28Å; N303-H305 PolarHBondContact O-N 2.89Å; N303-K330 PolarHBondContact O-NZ 3.4Å
304S75.7Confident86.8Confident94 Ų9462.7 Ų62.766%0.65731%0.314SS*.SBendtrans-61.8-33.5175460000113.2
305H73.3Confident85.7Confident176 Ų17668.1 Ų68.182%0.81534%0.34SS*.SBendtrans-89.7-15.3-168.5-58.9-65.7000115.3N303N303-H305 VanDerWaalsContact C-N 3.28Å; N303-H305 PolarHBondContact O-N 2.89Å
306D80.5Confident84.7Confident82 Ų8275.7 Ų75.744%0.43937%0.37SS..SBendtrans-104.6148.5-175.9-69.5-41.7000112.4C308 K330D306-C308 HydrophobicContact CB-CB 4.38Å; D306-C308 PolarHBondContact O-N 2.83Å; D306-K330 WeakPolarHBondContact O-CD 3.24Å; D306-K330 WeakPolarHBondContact O-CE 3.49Å; D306-K330 PolarHBondContact O-NZ 2.71Å
307R87.9Confident84.3Confident140 Ų14072.5 Ų72.553%0.52836%0.364SS..SBendtrans-7519.4167.3-68.9-174.3-70.3168.8-4.3113.6S324 N325R307-S324 PolarHBondContact O-N 2.9Å; R307-N325 PolarHBondContact NH1-O 3Å
308C91.6Very high84.4Confident20 Ų2066.1 Ų66.114%0.13534%0.343CS..EExtended strand (participates in β ladder)trans-121.7147.8-174.8-51.50000111.4D306 T321 F322 R323 K330D306-C308 HydrophobicContact CB-CB 4.38Å; D306-C308 PolarHBondContact O-N 2.83Å; C308-T321 HydrophobicContact CB-CG2 3.99Å; C308-F322 CarbonylContact C-O 3.59Å; C308-F322 WeakPolarHBondContact CA-O 3.3Å; C308-F322 WeakPolarHBondContact CB-O 3.33Å; C308-R323 PolarHBondContact SG-NE 2.94Å; C308-R323 VanDerWaalsContact SG-NE 3.37Å; C308-K330 VanDerWaalsContact O-CE 3.24Å; C308-K330 WeakPolarHBondContact O-CE 3.5Å
309F94.2Very high84.5Confident1 Ų166.7 Ų66.70%0.00435%0.347CS..EExtended strand (participates in β ladder)trans-130.4154.416366.2-87.3000108.4F216 L300 F301 L311 T321 F322 K330 W333 T334 I337F216-F309 HydrophobicContact CD1-CE1 4.34Å; F216-F309 AromaticContact CE1-CE1 3.71Å; F216-F309 HydrophobicContact CE1-CE1 3.71Å; F216-F309 HydrophobicContact CE1-CZ 4.27Å; F216-F309 HydrophobicContact CZ-CE1 4.13Å; F216-F309 HydrophobicContact CZ-CZ 4.36Å; L300-F309 HydrophobicContact CD1-CB 4.22Å; L300-F309 HydrophobicContact CD1-CD2 3.81Å; L300-F309 HydrophobicContact CD1-CG 4.41Å; F301-F309 CarbonylContact O-C 3.57Å; F301-F309 WeakPolarHBondContact O-CA 3.49Å; F309-L311 HydrophobicContact CD2-CD2 4.28Å; F309-L311 HydrophobicContact CD2-CG 4.41Å; F309-L311 HydrophobicContact CE2-CD2 4.39Å; F309-L311 HydrophobicContact CE2-CG 4.26Å; F309-T321 CarbonylContact O-C 3.53Å; F309-F322 HydrophobicContact CD1-CB 3.97Å; F309-F322 HydrophobicContact CD2-CB 4.21Å; F309-F322 AromaticContact CD2-CD2 3.98Å; F309-F322 HydrophobicContact CD2-CD2 3.98Å; F309-F322 HydrophobicContact CD2-CG 4.35Å; F309-F322 HydrophobicContact CE1-CB 3.54Å; F309-F322 HydrophobicContact CE1-CG 4.2Å; F309-F322 HydrophobicContact CE2-CB 3.8Å; F309-F322 HydrophobicContact CE2-CD1 4.44Å; F309-F322 AromaticContact CE2-CD2 3.47Å; F309-F322 HydrophobicContact CE2-CD2 3.47Å; F309-F322 VanDerWaalsContact CE2-CD2 3.47Å; F309-F322 HydrophobicContact CE2-CE2 4.16Å; F309-F322 AromaticContact CE2-CG 3.65Å; F309-F322 HydrophobicContact CE2-CG 3.65Å; F309-F322 HydrophobicContact CG-CB 4.3Å; F309-F322 HydrophobicContact CZ-CB 3.44Å; F309-F322 VanDerWaalsContact CZ-CB 3.44Å; F309-F322 HydrophobicContact CZ-CD1 4.12Å; F309-F322 AromaticContact CZ-CD2 3.92Å; F309-F322 HydrophobicContact CZ-CD2 3.92Å; F309-F322 AromaticContact CZ-CG 3.57Å; F309-F322 HydrophobicContact CZ-CG 3.57Å; F309-F322 PolarHBondContact N-O 2.95Å; F309-F322 PolarHBondContact O-N 2.85Å; F309-K330 HydrophobicContact CD1-CG 3.95Å; F309-W333 HydrophobicContact CE1-CB 4.16Å; F309-W333 HydrophobicContact CZ-CB 4.24Å; F309-W333 HydrophobicContact CZ-CE3 4.16Å; F309-T334 HydrophobicContact CB-CG2 3.51Å; F309-T334 HydrophobicContact CD1-CG2 4.01Å; F309-T334 HydrophobicContact CD2-CG2 4.38Å; F309-T334 HydrophobicContact CG-CG2 3.72Å; F309-I337 HydrophobicContact CE2-CD1 4.11Å
310S92.7Very high84.6Confident22 Ų2266.4 Ų66.415%0.15434%0.342CS..EExtended strand (participates in β ladder)trans-122.4136.6-179.7-59.20000111F301 Y320 T321F301-S310 PolarHBondContact N-O 3.34Å; F301-S310 PolarHBondContact O-N 3.37Å; S310-Y320 CarbonylContact C-O 3.59Å; S310-Y320 WeakPolarHBondContact CA-O 3.18Å; S310-T321 PolarHBondContact OG-OG1 3.32Å
311L93.1Very high84.7Confident0 Ų066.7 Ų66.70%035%0.345CS..EExtended strand (participates in β ladder)trans-106.4131.3168.6-56.6-176000108.3L240 I298 G299 L300 F309 T319 Y320 F322 I337L240-L311 HydrophobicContact CD1-CD1 3.76Å; I298-L311 HydrophobicContact CD1-CD1 4.11Å; I298-L311 HydrophobicContact CD1-CD2 4.06Å; G299-L311 WeakPolarHBondContact O-CA 3.28Å; L300-L311 HydrophobicContact CB-CD2 4.14Å; L300-L311 HydrophobicContact CD1-CD2 3.44Å; L300-L311 VanDerWaalsContact CD1-CD2 3.44Å; L300-L311 HydrophobicContact CG-CD2 4.37Å; F309-L311 HydrophobicContact CD2-CD2 4.28Å; F309-L311 HydrophobicContact CD2-CG 4.41Å; F309-L311 HydrophobicContact CE2-CD2 4.39Å; F309-L311 HydrophobicContact CE2-CG 4.26Å; L311-T319 CarbonylContact O-C 3.43Å; L311-T319 WeakPolarHBondContact O-CA 3.46Å; L311-Y320 PolarHBondContact N-O 3.02Å; L311-Y320 PolarHBondContact O-N 3.3Å; L311-F322 HydrophobicContact CB-CE2 4.11Å; L311-F322 HydrophobicContact CD1-CD2 4.48Å; L311-F322 HydrophobicContact CD1-CE2 3.63Å; L311-F322 HydrophobicContact CD1-CZ 4.06Å; L311-F322 HydrophobicContact CG-CD2 4.22Å; L311-F322 HydrophobicContact CG-CE2 3.67Å; L311-I337 HydrophobicContact CD2-CD1 4.39Å; L311-I337 HydrophobicContact CD2-CG2 4.49Å
312F89.7Confident84.9Confident51 Ų5161.2 Ų61.222%0.22432%0.321CS..EExtended strand (participates in β ladder)trans-115.8133.6172.953.2-89.1000109I298 G299 F301 Y316 S318I298-F312 CarbonylContact C-O 3.6Å; I298-F312 WeakPolarHBondContact CA-O 3.26Å; G299-F312 VanDerWaalsContact CA-CE2 3.48Å; G299-F312 PolarHBondContact N-O 2.82Å; G299-F312 VanDerWaalsContact O-CD1 3.29Å; G299-F312 WeakPolarHBondContact O-CD1 3.48Å; G299-F312 WeakPolarHBondContact O-CE1 3.35Å; G299-F312 PolarHBondContact O-N 2.85Å; F301-F312 HydrophobicContact CB-CE1 4.41Å; F312-Y316 HydrophobicContact CB-CD1 3.79Å; F312-Y316 HydrophobicContact CB-CE1 4.03Å; F312-Y316 HydrophobicContact CD1-CE1 4.2Å; F312-Y316 HydrophobicContact CD2-CD1 4.26Å; F312-Y316 AromaticContact CD2-CE1 3.96Å; F312-Y316 HydrophobicContact CD2-CE1 3.96Å; F312-Y316 HydrophobicContact CE2-CE1 4.41Å; F312-Y316 HydrophobicContact CG-CD1 4.07Å; F312-Y316 AromaticContact CG-CE1 3.81Å; F312-Y316 HydrophobicContact CG-CE1 3.81Å; F312-S318 WeakPolarHBondContact CA-O 3.45Å
313T86.3Confident85.1Confident33 Ų3364 Ų6420%0.20232%0.324CS..EExtended strand (participates in β ladder)trans-79.2169.6171.759.10000110.5R297 I298 N315 Y316 S318 Y320R297-T313 CarbonylContact O-C 3.57Å; R297-T313 WeakPolarHBondContact O-CA 3.39Å; I298-T313 HydrophobicContact CG2-CG2 4.41Å; T313-N315 PolarHBondContact O-N 2.78Å; T313-Y316 WeakPolarHBondContact O-CA 3.43Å; T313-Y316 PolarHBondContact O-N 3.04Å; T313-S318 PolarHBondContact N-O 3.04Å; T313-S318 PolarHBondContact OG1-N 3.2Å; T313-S318 PolarHBondContact OG1-O 2.94Å; T313-Y320 HydrophobicContact CG2-CE2 4.05Å
314E77.4Confident85.6Confident107 Ų10760.9 Ų60.950%0.531%0.308SS..G310 helixtrans-39.4132.8175.3-78.6173.5-178.100112.8R297 Y316 G317R297-E314 HydrophobicContact CB-CG 3.98Å; R297-E314 WeakPolarHBondContact CD-OE1 3.46Å; R297-E314 HydrophobicContact CG-CG 4.44Å; R297-E314 WeakPolarHBondContact CG-OE1 3.28Å; R297-E314 IonicContact NE-OE1 3.21Å; R297-E314 PolarHBondContact O-N 2.93Å; R297-E314 VanDerWaalsContact O-N 3.08Å; E314-Y316 PolarHBondContact O-N 2.7Å; E314-Y316 VanDerWaalsContact O-N 3.16Å; E314-G317 PolarHBondContact O-N 2.79Å; E314-G317 VanDerWaalsContact O-N 3.11Å
315N68.4Low86.2Confident160 Ų16062.6 Ų62.686%0.85631%0.31SS*.G310 helixtrans55.526-179.1-58.2-29.2000115.1T313 G317T313-N315 PolarHBondContact O-N 2.78Å; N315-G317 PolarHBondContact O-N 2.88Å; N315-G317 VanDerWaalsContact O-N 3.15Å
316Y69.7Low86.9Confident160 Ų16057.8 Ų57.863%0.62729%0.29SS*.G310 helixtrans56.524.8-174.6-62.7-87.5000113.5F312 T313 E314 S318F312-Y316 HydrophobicContact CB-CD1 3.79Å; F312-Y316 HydrophobicContact CB-CE1 4.03Å; F312-Y316 HydrophobicContact CD1-CE1 4.2Å; F312-Y316 HydrophobicContact CD2-CD1 4.26Å; F312-Y316 AromaticContact CD2-CE1 3.96Å; F312-Y316 HydrophobicContact CD2-CE1 3.96Å; F312-Y316 HydrophobicContact CE2-CE1 4.41Å; F312-Y316 HydrophobicContact CG-CD1 4.07Å; F312-Y316 AromaticContact CG-CE1 3.81Å; F312-Y316 HydrophobicContact CG-CE1 3.81Å; T313-Y316 WeakPolarHBondContact O-CA 3.43Å; T313-Y316 PolarHBondContact O-N 3.04Å; E314-Y316 PolarHBondContact O-N 2.7Å; E314-Y316 VanDerWaalsContact O-N 3.16Å; Y316-S318 PolarHBondContact O-N 2.8Å; Y316-S318 VanDerWaalsContact O-N 3.15Å
317G76.9Confident87.4Confident35 Ų3556.8 Ų56.836%0.36129%0.285SS..SBendtrans-59.4-29.2-177.600000113.2E314 N315E314-G317 PolarHBondContact O-N 2.79Å; E314-G317 VanDerWaalsContact O-N 3.11Å; N315-G317 PolarHBondContact O-N 2.88Å; N315-G317 VanDerWaalsContact O-N 3.15Å
318S85.1Confident87.6Confident15 Ų1554.1 Ų54.111%0.10528%0.284CS..EExtended strand (participates in β ladder)trans-146.4134.6169.8-64.80000110.3T221 F312 T313 Y316T221-S318 WeakPolarHBondContact O-CA 3.45Å; F312-S318 WeakPolarHBondContact CA-O 3.45Å; T313-S318 PolarHBondContact N-O 3.04Å; T313-S318 PolarHBondContact OG1-N 3.2Å; T313-S318 PolarHBondContact OG1-O 2.94Å; Y316-S318 PolarHBondContact O-N 2.8Å; Y316-S318 VanDerWaalsContact O-N 3.15Å
319T89.8Confident87.6Confident31 Ų3155.1 Ų55.119%0.1929%0.289CS..EExtended strand (participates in β ladder)trans-118.4131.6172.4-54.90000110.4T221 L311T221-T319 PolarHBondContact N-O 3.16Å; T221-T319 PolarHBondContact O-N 2.89Å; T221-T319 VanDerWaalsContact OG1-CB 3.28Å; T221-T319 WeakPolarHBondContact OG1-CB 3.46Å; T221-T319 PolarHBondContact OG1-O 2.99Å; L311-T319 CarbonylContact O-C 3.43Å; L311-T319 WeakPolarHBondContact O-CA 3.46Å
320Y92.8Very high87.5Confident8 Ų855.3 Ų55.33%0.03129%0.29CS..EExtended strand (participates in β ladder)trans-116.8111.1-179.7-55.4-97.6000108.4V218 R220 L242 E291 I293 S310 L311 T313 F322V218-Y320 HydrophobicContact CG1-CD1 4.33Å; R220-Y320 HydrophobicContact CB-CD1 4.4Å; R220-Y320 HydrophobicContact CG-CD1 3.95Å; R220-Y320 HydrophobicContact CG-CE1 3.71Å; L242-Y320 HydrophobicContact CD1-CD1 4.05Å; L242-Y320 HydrophobicContact CD1-CE1 4.15Å; E291-Y320 PolarHBondContact OE1-OH 3.15Å; E291-Y320 WeakPolarHBondContact OE2-CE1 3.21Å; I293-Y320 HydrophobicContact CD1-CD1 3.96Å; I293-Y320 HydrophobicContact CD1-CD2 3.93Å; I293-Y320 HydrophobicContact CD1-CE1 3.8Å; I293-Y320 HydrophobicContact CD1-CE2 3.81Å; I293-Y320 HydrophobicContact CD1-CG 4.02Å; I293-Y320 HydrophobicContact CG1-CE2 4.5Å; S310-Y320 CarbonylContact C-O 3.59Å; S310-Y320 WeakPolarHBondContact CA-O 3.18Å; L311-Y320 PolarHBondContact N-O 3.02Å; L311-Y320 PolarHBondContact O-N 3.3Å; T313-Y320 HydrophobicContact CG2-CE2 4.05Å; Y320-F322 VanDerWaalsContact CB-CE2 3.47Å; Y320-F322 WeakPolarHBondContact O-CD2 3.49Å
321T93Very high87.5Confident36 Ų3659.6 Ų59.622%0.22131%0.308CS..EExtended strand (participates in β ladder)trans-98.3111.4174.4-56.40000109.3V218 N219 C308 F309 S310V218-T321 WeakPolarHBondContact CA-O 3.48Å; N219-T321 PolarHBondContact N-O 3.38Å; N219-T321 PolarHBondContact O-N 3.28Å; C308-T321 HydrophobicContact CB-CG2 3.99Å; F309-T321 CarbonylContact O-C 3.53Å; S310-T321 PolarHBondContact OG-OG1 3.32Å
322F94.8Very high87.6Confident0 Ų063.8 Ų63.80%033%0.33CS..EExtended strand (participates in β ladder)trans-90.5122.5179.2-62.9-99.5000109.2F216 V218 V233 L240 L242 C308 F309 L311 Y320F216-F322 HydrophobicContact CB-CD1 4.12Å; F216-F322 HydrophobicContact CD1-CB 4.01Å; F216-F322 HydrophobicContact CD2-CD1 4.42Å; F216-F322 HydrophobicContact CG-CB 4.37Å; F216-F322 HydrophobicContact CG-CD1 4.12Å; V218-F322 HydrophobicContact CG1-CD1 4.41Å; V218-F322 HydrophobicContact CG1-CE1 4.27Å; V218-F322 HydrophobicContact CG1-CZ 4.43Å; V218-F322 HydrophobicContact CG2-CD1 3.61Å; V218-F322 HydrophobicContact CG2-CE1 3.78Å; V218-F322 HydrophobicContact CG2-CG 4.4Å; V233-F322 HydrophobicContact CG1-CE1 4.03Å; V233-F322 HydrophobicContact CG2-CD1 4.25Å; V233-F322 HydrophobicContact CG2-CE1 3.99Å; L240-F322 HydrophobicContact CD1-CZ 4.34Å; L240-F322 HydrophobicContact CD2-CE1 4.28Å; L240-F322 HydrophobicContact CD2-CZ 4Å; L242-F322 HydrophobicContact CD2-CE1 3.7Å; L242-F322 HydrophobicContact CD2-CZ 4.09Å; C308-F322 CarbonylContact C-O 3.59Å; C308-F322 WeakPolarHBondContact CA-O 3.3Å; C308-F322 WeakPolarHBondContact CB-O 3.33Å; F309-F322 HydrophobicContact CD1-CB 3.97Å; F309-F322 HydrophobicContact CD2-CB 4.21Å; F309-F322 AromaticContact CD2-CD2 3.98Å; F309-F322 HydrophobicContact CD2-CD2 3.98Å; F309-F322 HydrophobicContact CD2-CG 4.35Å; F309-F322 HydrophobicContact CE1-CB 3.54Å; F309-F322 HydrophobicContact CE1-CG 4.2Å; F309-F322 HydrophobicContact CE2-CB 3.8Å; F309-F322 HydrophobicContact CE2-CD1 4.44Å; F309-F322 AromaticContact CE2-CD2 3.47Å; F309-F322 HydrophobicContact CE2-CD2 3.47Å; F309-F322 VanDerWaalsContact CE2-CD2 3.47Å; F309-F322 HydrophobicContact CE2-CE2 4.16Å; F309-F322 AromaticContact CE2-CG 3.65Å; F309-F322 HydrophobicContact CE2-CG 3.65Å; F309-F322 HydrophobicContact CG-CB 4.3Å; F309-F322 HydrophobicContact CZ-CB 3.44Å; F309-F322 VanDerWaalsContact CZ-CB 3.44Å; F309-F322 HydrophobicContact CZ-CD1 4.12Å; F309-F322 AromaticContact CZ-CD2 3.92Å; F309-F322 HydrophobicContact CZ-CD2 3.92Å; F309-F322 AromaticContact CZ-CG 3.57Å; F309-F322 HydrophobicContact CZ-CG 3.57Å; F309-F322 PolarHBondContact N-O 2.95Å; F309-F322 PolarHBondContact O-N 2.85Å; L311-F322 HydrophobicContact CB-CE2 4.11Å; L311-F322 HydrophobicContact CD1-CD2 4.48Å; L311-F322 HydrophobicContact CD1-CE2 3.63Å; L311-F322 HydrophobicContact CD1-CZ 4.06Å; L311-F322 HydrophobicContact CG-CD2 4.22Å; L311-F322 HydrophobicContact CG-CE2 3.67Å; Y320-F322 VanDerWaalsContact CB-CE2 3.47Å; Y320-F322 WeakPolarHBondContact O-CD2 3.49Å
323R93.5Very high87.9Confident104 Ų10461.5 Ų61.539%0.39232%0.32SS..EExtended strand (participates in β ladder)trans-107118.2172.6-179.6173.6-66.4163.3-0.7109.7T217 C308T217-R323 PolarHBondContact N-O 3.35Å; T217-R323 VanDerWaalsContact N-O 3.11Å; T217-R323 PolarHBondContact O-N 3.34Å; C308-R323 PolarHBondContact SG-NE 2.94Å; C308-R323 VanDerWaalsContact SG-NE 3.37Å
324S91.1Very high88.3Confident4 Ų460.6 Ų60.63%0.02831%0.314CS..  trans-87.8150.4173.4-173.20000110.8R307 D326R307-S324 PolarHBondContact O-N 2.9Å; S324-D326 VanDerWaalsContact CB-O 3.26Å; S324-D326 WeakPolarHBondContact CB-O 3.28Å; S324-D326 PolarHBondContact OG-N 3.21Å; S324-D326 VanDerWaalsContact OG-N 3.15Å; S324-D326 PolarHBondContact OG-O 2.97Å
325N88.4Confident89.1Confident130 Ų13058.7 Ų58.770%0.69531%0.312SS*.SBendtrans-73.6-34.4167.8-68.6-24000111.2R307R307-N325 PolarHBondContact NH1-O 3Å
326D88.6Confident90.4Very high75 Ų7552.4 Ų52.440%0.40128%0.28SS..  trans-113.4133.4-177.6-173.7-4000111.6S324 T328 V329 K330S324-D326 VanDerWaalsContact CB-O 3.26Å; S324-D326 WeakPolarHBondContact CB-O 3.28Å; S324-D326 PolarHBondContact OG-N 3.21Å; S324-D326 VanDerWaalsContact OG-N 3.15Å; S324-D326 PolarHBondContact OG-O 2.97Å; D326-T328 VanDerWaalsContact C-N 3.32Å; D326-T328 PolarHBondContact OD1-N 3.49Å; D326-T328 PolarHBondContact OD1-OG1 3.15Å; D326-T328 PolarHBondContact OD2-OG1 2.97Å; D326-V329 HydrophobicContact CB-CB 4.38Å; D326-V329 HydrophobicContact CB-CG2 3.99Å; D326-K330 PolarHBondContact O-N 3.11Å
327N89.9Confident91.6Very high61 Ų6144.9 Ų44.933%0.32625%0.251SS..Hα-helixtrans-68.6-29.5176.2-166.952.1000112.6K330 Q331N327-K330 WeakPolarHBondContact O-CB 3.38Å; N327-K330 PolarHBondContact O-N 3.25Å; N327-Q331 WeakPolarHBondContact O-CG 3.29Å; N327-Q331 PolarHBondContact O-N 3Å
328T91.8Very high92.4Very high84 Ų8447 Ų4752%0.51525%0.253SS..Hα-helixtrans-64-43.5177.472.60000111D326 K330 Q331 L332D326-T328 VanDerWaalsContact C-N 3.32Å; D326-T328 PolarHBondContact OD1-N 3.49Å; D326-T328 PolarHBondContact OD1-OG1 3.15Å; D326-T328 PolarHBondContact OD2-OG1 2.97Å; T328-K330 PolarHBondContact O-N 2.96Å; T328-Q331 PolarHBondContact O-N 3.33Å; T328-L332 WeakPolarHBondContact O-CB 3.42Å; T328-L332 PolarHBondContact O-N 3.21Å
329V92.5Very high92.8Very high40 Ų4053.1 Ų53.124%0.24228%0.278CS..Hα-helixtrans-60.5-46.4174.7175.90000110.1A214 F216 D326 Q331 L332 W333A214-V329 HydrophobicContact CB-CG1 3.93Å; F216-V329 HydrophobicContact CE1-CG1 4.35Å; F216-V329 HydrophobicContact CZ-CG1 3.97Å; D326-V329 HydrophobicContact CB-CB 4.38Å; D326-V329 HydrophobicContact CB-CG2 3.99Å; V329-Q331 VanDerWaalsContact C-N 3.34Å; V329-Q331 PolarHBondContact O-N 2.48Å; V329-L332 PolarHBondContact O-N 2.66Å; V329-W333 WeakPolarHBondContact O-CB 3.3Å; V329-W333 PolarHBondContact O-N 3.25Å
330K92.9Very high92.9Very high6 Ų652.8 Ų52.83%0.02628%0.275CS..Hα-helixtrans-58.4-45.2176.2-177-142.4160.4-174.30111.8S302 N303 D306 C308 F309 D326 N327 T328 W333 T334S302-K330 VanDerWaalsContact OG-CE 3.24Å; S302-K330 WeakPolarHBondContact OG-CE 3.46Å; N303-K330 PolarHBondContact O-NZ 3.4Å; D306-K330 WeakPolarHBondContact O-CD 3.24Å; D306-K330 WeakPolarHBondContact O-CE 3.49Å; D306-K330 PolarHBondContact O-NZ 2.71Å; C308-K330 VanDerWaalsContact O-CE 3.24Å; C308-K330 WeakPolarHBondContact O-CE 3.5Å; F309-K330 HydrophobicContact CD1-CG 3.95Å; D326-K330 PolarHBondContact O-N 3.11Å; N327-K330 WeakPolarHBondContact O-CB 3.38Å; N327-K330 PolarHBondContact O-N 3.25Å; T328-K330 PolarHBondContact O-N 2.96Å; K330-W333 PolarHBondContact O-N 2.9Å; K330-T334 HydrophobicContact CG-CG2 4.41Å; K330-T334 WeakPolarHBondContact O-CB 3.48Å; K330-T334 VanDerWaalsContact O-CG2 3.29Å; K330-T334 WeakPolarHBondContact O-CG2 3.39Å; K330-T334 PolarHBondContact O-N 3.04Å; K330-T334 PolarHBondContact O-OG1 2.79Å
331Q92.5Very high92.7Very high112 Ų11253.8 Ų53.852%0.52328%0.281SS..Hα-helixtrans-63.7-42.6178.5-74.3176.8-21.900112.1N327 T328 V329 T334 S335N327-Q331 WeakPolarHBondContact O-CG 3.29Å; N327-Q331 PolarHBondContact O-N 3Å; T328-Q331 PolarHBondContact O-N 3.33Å; V329-Q331 VanDerWaalsContact C-N 3.34Å; V329-Q331 PolarHBondContact O-N 2.48Å; Q331-T334 WeakPolarHBondContact CA-OG1 3.37Å; Q331-T334 PolarHBondContact O-OG1 3.16Å; Q331-S335 VanDerWaalsContact O-CB 3.3Å; Q331-S335 WeakPolarHBondContact O-CB 3.29Å; Q331-S335 PolarHBondContact O-N 3.01Å; Q331-S335 PolarHBondContact O-OG 2.69Å
332L94.8Very high92.5Very high88 Ų8858.1 Ų58.146%0.46130%0.3SS..Hα-helixtrans-61.3-46.1176179.361.3000111.7L212 T328 V329 S335 T336L212-L332 HydrophobicContact CD1-CD2 4.46Å; L212-L332 HydrophobicContact CD1-CG 4Å; L212-L332 HydrophobicContact CD2-CD2 3.76Å; L212-L332 HydrophobicContact CD2-CG 4.08Å; T328-L332 WeakPolarHBondContact O-CB 3.42Å; T328-L332 PolarHBondContact O-N 3.21Å; V329-L332 PolarHBondContact O-N 2.66Å; L332-S335 PolarHBondContact O-OG 2.95Å; L332-T336 VanDerWaalsContact O-CB 3.26Å; L332-T336 WeakPolarHBondContact O-CB 3.42Å; L332-T336 PolarHBondContact O-N 2.93Å; L332-T336 PolarHBondContact O-OG1 2.86Å
333W95.7Very high92.1Very high3 Ų361.9 Ų61.91%0.01132%0.321CS..Hα-helixtrans-65.5-47.8178.9-82.867.3000112.3L212 A214 F216 V233 L235 L240 F309 V329 K330 T336 I337L212-W333 HydrophobicContact CB-CH2 4.43Å; L212-W333 HydrophobicContact CB-CZ2 3.79Å; L212-W333 HydrophobicContact CD1-CD2 4.29Å; L212-W333 HydrophobicContact CD1-CG 4.13Å; A214-W333 HydrophobicContact CB-CZ2 3.94Å; F216-W333 AromaticContact CE2-CD2 3.87Å; F216-W333 HydrophobicContact CE2-CD2 3.87Å; F216-W333 AromaticContact CE2-CE2 3.61Å; F216-W333 HydrophobicContact CE2-CE3 4.15Å; F216-W333 AromaticContact CE2-CH2 4Å; F216-W333 HydrophobicContact CE2-CH2 4Å; F216-W333 AromaticContact CE2-CZ2 3.7Å; F216-W333 HydrophobicContact CE2-CZ2 3.7Å; F216-W333 HydrophobicContact CE2-CZ3 4.2Å; F216-W333 AromaticContact CZ-CD1 3.95Å; F216-W333 AromaticContact CZ-CD2 3.65Å; F216-W333 HydrophobicContact CZ-CD2 3.65Å; F216-W333 AromaticContact CZ-CE2 3.67Å; F216-W333 HydrophobicContact CZ-CE3 4.19Å; F216-W333 AromaticContact CZ-CG 3.85Å; F216-W333 HydrophobicContact CZ-CG 3.85Å; F216-W333 HydrophobicContact CZ-CZ2 4.25Å; F216-W333 AromaticContact CZ-NE1 3.8Å; V233-W333 HydrophobicContact CB-CH2 3.98Å; V233-W333 HydrophobicContact CB-CZ3 4.39Å; V233-W333 HydrophobicContact CG1-CH2 3.67Å; V233-W333 HydrophobicContact CG1-CZ3 3.69Å; V233-W333 WeakPolarHBondContact O-CH2 3.28Å; L235-W333 HydrophobicContact CB-CE3 4.44Å; L235-W333 HydrophobicContact CB-CH2 3.75Å; L235-W333 HydrophobicContact CB-CZ3 3.69Å; L235-W333 HydrophobicContact CD2-CE3 4.39Å; L235-W333 HydrophobicContact CD2-CZ3 4.42Å; L240-W333 HydrophobicContact CD1-CZ3 4.02Å; F309-W333 HydrophobicContact CE1-CB 4.16Å; F309-W333 HydrophobicContact CZ-CB 4.24Å; F309-W333 HydrophobicContact CZ-CE3 4.16Å; V329-W333 WeakPolarHBondContact O-CB 3.3Å; V329-W333 PolarHBondContact O-N 3.25Å; K330-W333 PolarHBondContact O-N 2.9Å; W333-T336 PolarHBondContact O-N 3.43Å; W333-I337 HydrophobicContact CE3-CD1 4.33Å; W333-I337 WeakPolarHBondContact O-CB 3.4Å; W333-I337 VanDerWaalsContact O-CG1 3.28Å; W333-I337 WeakPolarHBondContact O-CG1 3.4Å; W333-I337 PolarHBondContact O-N 2.69Å
334T94.6Very high91.6Very high14 Ų1459 Ų599%0.08631%0.312CS..Hα-helixtrans-66-40-179.150.80000112.6L300 F309 K330 Q331 N338L300-T334 HydrophobicContact CD1-CG2 4.42Å; F309-T334 HydrophobicContact CB-CG2 3.51Å; F309-T334 HydrophobicContact CD1-CG2 4.01Å; F309-T334 HydrophobicContact CD2-CG2 4.38Å; F309-T334 HydrophobicContact CG-CG2 3.72Å; K330-T334 HydrophobicContact CG-CG2 4.41Å; K330-T334 WeakPolarHBondContact O-CB 3.48Å; K330-T334 VanDerWaalsContact O-CG2 3.29Å; K330-T334 WeakPolarHBondContact O-CG2 3.39Å; K330-T334 PolarHBondContact O-N 3.04Å; K330-T334 PolarHBondContact O-OG1 2.79Å; Q331-T334 WeakPolarHBondContact CA-OG1 3.37Å; Q331-T334 PolarHBondContact O-OG1 3.16Å; T334-N338 VanDerWaalsContact O-CB 3.25Å; T334-N338 WeakPolarHBondContact O-CB 3.48Å; T334-N338 PolarHBondContact O-N 2.87Å; T334-N338 PolarHBondContact O-ND2 2.82Å
335S94.6Very high91.1Very high66 Ų6663.3 Ų63.346%0.46233%0.334SS..Hα-helixtrans-66.6-40.1174.558.60000112.4Q331 L332 K339Q331-S335 VanDerWaalsContact O-CB 3.3Å; Q331-S335 WeakPolarHBondContact O-CB 3.29Å; Q331-S335 PolarHBondContact O-N 3.01Å; Q331-S335 PolarHBondContact O-OG 2.69Å; L332-S335 PolarHBondContact O-OG 2.95Å; S335-K339 WeakPolarHBondContact O-CB 3.42Å; S335-K339 PolarHBondContact O-N 3.05Å
336T95.5Very high90.7Very high29 Ų2964 Ų6418%0.17833%0.328CS..Hα-helixtrans-65.6-49.2177.5-58.60000111.5L211 L212 L235 L332 W333 N338 K339 L340L211-T336 HydrophobicContact CD1-CG2 4.16Å; L212-T336 HydrophobicContact CD1-CG2 4.02Å; L235-T336 HydrophobicContact CD2-CG2 3.93Å; L332-T336 VanDerWaalsContact O-CB 3.26Å; L332-T336 WeakPolarHBondContact O-CB 3.42Å; L332-T336 PolarHBondContact O-N 2.93Å; L332-T336 PolarHBondContact O-OG1 2.86Å; W333-T336 PolarHBondContact O-N 3.43Å; T336-N338 PolarHBondContact O-N 3.31Å; T336-K339 WeakPolarHBondContact O-CB 3.49Å; T336-K339 PolarHBondContact O-N 3.16Å; T336-L340 WeakPolarHBondContact O-CG 3.01Å; T336-L340 PolarHBondContact O-N 2.66Å; T336-L340 VanDerWaalsContact O-N 3.08Å
337I94.8Very high90Very high1 Ų165.6 Ų65.61%0.00534%0.336CS..Hα-helixtrans-62.4-44.5177.8-65.6167.6000110.4L235 I298 L300 F309 L311 W333 K339 L340 L341L235-I337 HydrophobicContact CD1-CG1 4.26Å; L235-I337 HydrophobicContact CD2-CG1 3.89Å; I298-I337 HydrophobicContact CD1-CG2 4.33Å; L300-I337 HydrophobicContact CB-CG2 4.35Å; L300-I337 HydrophobicContact CD2-CB 4.09Å; L300-I337 HydrophobicContact CD2-CG2 3.93Å; F309-I337 HydrophobicContact CE2-CD1 4.11Å; L311-I337 HydrophobicContact CD2-CD1 4.39Å; L311-I337 HydrophobicContact CD2-CG2 4.49Å; W333-I337 HydrophobicContact CE3-CD1 4.33Å; W333-I337 WeakPolarHBondContact O-CB 3.4Å; W333-I337 VanDerWaalsContact O-CG1 3.28Å; W333-I337 WeakPolarHBondContact O-CG1 3.4Å; W333-I337 PolarHBondContact O-N 2.69Å; I337-K339 VanDerWaalsContact C-N 3.3Å; I337-K339 PolarHBondContact O-N 2.98Å; I337-L340 WeakPolarHBondContact O-CB 3.35Å; I337-L340 PolarHBondContact O-N 2.85Å; I337-L340 VanDerWaalsContact O-N 3.14Å; I337-L341 HydrophobicContact CG2-CD1 4Å; I337-L341 HydrophobicContact CG2-CG 4.3Å; I337-L341 WeakPolarHBondContact O-CG 3.09Å; I337-L341 PolarHBondContact O-N 3Å
338N93.6Very high89Confident79 Ų7969.6 Ų69.642%0.42236%0.357SS..Hα-helixtrans-56.6-43.9175-88.1-34.5000112.1L300 T334 T336 L340 L341 M342L300-N338 WeakPolarHBondContact CD2-OD1 3.49Å; T334-N338 VanDerWaalsContact O-CB 3.25Å; T334-N338 WeakPolarHBondContact O-CB 3.48Å; T334-N338 PolarHBondContact O-N 2.87Å; T334-N338 PolarHBondContact O-ND2 2.82Å; T336-N338 PolarHBondContact O-N 3.31Å; N338-L340 VanDerWaalsContact C-N 3.32Å; N338-L340 PolarHBondContact O-N 3.21Å; N338-L341 PolarHBondContact O-N 2.83Å; N338-M342 WeakPolarHBondContact O-CB 3.21Å; N338-M342 WeakPolarHBondContact O-CG 3.48Å; N338-M342 PolarHBondContact O-N 2.96Å
339K93Very high87.7Confident144 Ų14475.4 Ų75.463%0.62637%0.369SS*.Hα-helixtrans-61.7-39.9177.7-173.1177.5179.7179.20112S335 T336 I337 N343S335-K339 WeakPolarHBondContact O-CB 3.42Å; S335-K339 PolarHBondContact O-N 3.05Å; T336-K339 WeakPolarHBondContact O-CB 3.49Å; T336-K339 PolarHBondContact O-N 3.16Å; I337-K339 VanDerWaalsContact C-N 3.3Å; I337-K339 PolarHBondContact O-N 2.98Å; K339-N343 WeakPolarHBondContact O-CB 3.24Å; K339-N343 PolarHBondContact O-N 3Å; K339-N343 PolarHBondContact O-ND2 2.87Å
340L92Very high86Confident24 Ų2477.5 Ų77.513%0.12638%0.382CS..Hα-helixtrans-63.5-49.1175.8-66.2172.3000111.6L211 T237 L295 T336 I337 N338 M342 N343 Q344L211-L340 HydrophobicContact CD1-CD1 3.54Å; L211-L340 HydrophobicContact CD1-CD2 3.98Å; L211-L340 HydrophobicContact CD1-CG 4.2Å; T237-L340 HydrophobicContact CG2-CD2 4.26Å; L295-L340 HydrophobicContact CD1-CD1 3.85Å; T336-L340 WeakPolarHBondContact O-CG 3.01Å; T336-L340 PolarHBondContact O-N 2.66Å; T336-L340 VanDerWaalsContact O-N 3.08Å; I337-L340 WeakPolarHBondContact O-CB 3.35Å; I337-L340 PolarHBondContact O-N 2.85Å; I337-L340 VanDerWaalsContact O-N 3.14Å; N338-L340 VanDerWaalsContact C-N 3.32Å; N338-L340 PolarHBondContact O-N 3.21Å; L340-M342 VanDerWaalsContact C-N 3.32Å; L340-M342 PolarHBondContact O-N 2.93Å; L340-N343 PolarHBondContact O-N 2.77Å; L340-Q344 WeakPolarHBondContact O-CG 3.24Å; L340-Q344 PolarHBondContact O-N 3.29Å
341L90.1Very high83.7Confident30 Ų3084.5 Ų84.516%0.15742%0.419CS..Hα-helixtrans-60.6-42179.5-65.3175.3000111.5I298 L300 I337 N338 Q344 L345I298-L341 HydrophobicContact CG1-CD2 4.07Å; L300-L341 HydrophobicContact CB-CD1 3.99Å; I337-L341 HydrophobicContact CG2-CD1 4Å; I337-L341 HydrophobicContact CG2-CG 4.3Å; I337-L341 WeakPolarHBondContact O-CG 3.09Å; I337-L341 PolarHBondContact O-N 3Å; N338-L341 PolarHBondContact O-N 2.83Å; L341-Q344 PolarHBondContact O-N 2.85Å; L341-L345 WeakPolarHBondContact O-CG 3.46Å; L341-L345 PolarHBondContact O-N 2.77Å
342M88.1Confident81.5Confident127 Ų12785.9 Ų85.963%0.62644%0.436SS*.Hα-helixtrans-66.4-38.8177-66.5-63-89.700112.4N338 L340 L345 Y346N338-M342 WeakPolarHBondContact O-CB 3.21Å; N338-M342 WeakPolarHBondContact O-CG 3.48Å; N338-M342 PolarHBondContact O-N 2.96Å; L340-M342 VanDerWaalsContact C-N 3.32Å; L340-M342 PolarHBondContact O-N 2.93Å; M342-L345 PolarHBondContact O-N 2.84Å; M342-L345 HydrophobicContact SD-CD1 4.3Å; M342-Y346 PolarHBondContact O-N 3.05Å
343N86.7Confident79.5Confident79 Ų7986 Ų8642%0.42244%0.437SS..Hα-helixtrans-65.1-40.6175.4-73.8-13.3000111.9K339 L340 Y346 N347K339-N343 WeakPolarHBondContact O-CB 3.24Å; K339-N343 PolarHBondContact O-N 3Å; K339-N343 PolarHBondContact O-ND2 2.87Å; L340-N343 PolarHBondContact O-N 2.77Å; N343-Y346 PolarHBondContact O-N 3.02Å; N343-N347 VanDerWaalsContact O-CG 3.3Å; N343-N347 PolarHBondContact O-N 2.94Å; N343-N347 PolarHBondContact O-ND2 2.91Å
344Q82.6Confident77.3Confident44 Ų4490.1 Ų90.121%0.20646%0.464CS..Hα-helixtrans-61.7-44.1175.4-72.2173.1-17.800111L340 L341 Y346 N347 L348L340-Q344 WeakPolarHBondContact O-CG 3.24Å; L340-Q344 PolarHBondContact O-N 3.29Å; L341-Q344 PolarHBondContact O-N 2.85Å; Q344-Y346 VanDerWaalsContact C-N 3.32Å; Q344-Y346 PolarHBondContact O-N 3.18Å; Q344-N347 PolarHBondContact O-N 2.94Å; Q344-L348 WeakPolarHBondContact O-CG 3.34Å; Q344-L348 PolarHBondContact O-N 2.95Å; Q344-L348 VanDerWaalsContact O-N 3.15Å
345L80.6Confident75.1Confident94 Ų9495.7 Ų95.749%0.49249%0.489SS..Hα-helixtrans-63-35.5174.6-70.4174.2000113.3L341 M342L341-L345 WeakPolarHBondContact O-CG 3.46Å; L341-L345 PolarHBondContact O-N 2.77Å; M342-L345 PolarHBondContact O-N 2.84Å; M342-L345 HydrophobicContact SD-CD1 4.3Å
346Y80.1Confident73Confident145 Ų14595.6 Ų95.657%0.56948%0.483SS*.Hα-helixtrans-70.3-44.7176.7-177.3-92.8000111.9M342 N343 Q344 L348 R349 V350M342-Y346 PolarHBondContact O-N 3.05Å; N343-Y346 PolarHBondContact O-N 3.02Å; Q344-Y346 VanDerWaalsContact C-N 3.32Å; Q344-Y346 PolarHBondContact O-N 3.18Å; Y346-L348 VanDerWaalsContact C-N 3.28Å; Y346-L348 PolarHBondContact O-N 2.85Å; Y346-R349 WeakPolarHBondContact O-CA 3.38Å; Y346-R349 WeakPolarHBondContact O-CB 3.38Å; Y346-R349 PolarHBondContact O-N 2.9Å; Y346-V350 HydrophobicContact CD1-CG2 4.48Å; Y346-V350 HydrophobicContact CE1-CB 4.4Å; Y346-V350 HydrophobicContact CE1-CG2 3.88Å; Y346-V350 HydrophobicContact CE2-CG2 4.36Å; Y346-V350 PolarHBondContact O-N 2.92Å
347N73.9Confident70.7Confident107 Ų10799.4 Ų99.457%0.57250%0.499SS*.Hα-helixtrans-63.9-33.3179.8-70.6-16.5000112.3N343 Q344 R349 V350N343-N347 VanDerWaalsContact O-CG 3.3Å; N343-N347 PolarHBondContact O-N 2.94Å; N343-N347 PolarHBondContact O-ND2 2.91Å; Q344-N347 PolarHBondContact O-N 2.94Å; N347-R349 PolarHBondContact O-N 2.84Å; N347-R349 VanDerWaalsContact O-N 3.09Å; N347-V350 PolarHBondContact O-N 2.76Å
348L69.3Low68.5Low146 Ų146104.7 Ų104.776%0.76453%0.531SS*.THydrogen-bonded Turntrans-60.8-15.2171.4-72.7169.7000113.6Q344 Y346Q344-L348 WeakPolarHBondContact O-CG 3.34Å; Q344-L348 PolarHBondContact O-N 2.95Å; Q344-L348 VanDerWaalsContact O-N 3.15Å; Y346-L348 VanDerWaalsContact C-N 3.28Å; Y346-L348 PolarHBondContact O-N 2.85Å
349R63.2Low66.3Low206 Ų206101.9 Ų101.978%0.77752%0.516SS*.THydrogen-bonded Turntrans-100.5-17.1179.4-61.2177.7-174.4-173.10.2114Y346 N347Y346-R349 WeakPolarHBondContact O-CA 3.38Å; Y346-R349 WeakPolarHBondContact O-CB 3.38Å; Y346-R349 PolarHBondContact O-N 2.9Å; N347-R349 PolarHBondContact O-N 2.84Å; N347-R349 VanDerWaalsContact O-N 3.09Å
350V58Low64.2Low84 Ų84102.1 Ų102.151%0.50952%0.517SS..  trans-129.782-170.6-172.80000109.5Y346 N347Y346-V350 HydrophobicContact CD1-CG2 4.48Å; Y346-V350 HydrophobicContact CE1-CB 4.4Å; Y346-V350 HydrophobicContact CE1-CG2 3.88Å; Y346-V350 HydrophobicContact CE2-CG2 4.36Å; Y346-V350 PolarHBondContact O-N 2.92Å; N347-V350 PolarHBondContact O-N 2.76Å
351D44.1Very low61.9Low152 Ų152110.5 Ų110.581%0.81355%0.547SS*.  trans-113.7106.1170.9-135.9-9.4000107.9
352T47.5Very low59.7Low141 Ų141111 Ų11187%0.86555%0.55SS**  trans170104.6155.727.10000111.8
353D51.8Low57.3Low90 Ų90108.8 Ų108.848%0.48155%0.545SS..  trans-137.2115.7152.9-174.3-12.3000110.2Q355 L356D353-Q355 PolarHBondContact OD1-N 2.94Å; D353-L356 HydrophobicContact CB-CD1 3.9Å
354P50.2Low55.2Low90 Ų90107 Ų10758%0.58454%0.535SS*.G310 helixtrans-76.4-19.5-176.728.1-32.9000115L356 Q357P354-L356 PolarHBondContact O-N 2.78Å; P354-L356 VanDerWaalsContact O-N 3.13Å; P354-Q357 WeakPolarHBondContact O-CG 3.42Å; P354-Q357 PolarHBondContact O-N 2.79Å
355Q48.4Very low53Low132 Ų132107.5 Ų107.562%0.61754%0.543SS*.G310 helixtrans-69.9-10.8-178.4-68.6-169.5-1.400113.5D353 Q357D353-Q355 PolarHBondContact OD1-N 2.94Å; Q355-Q357 VanDerWaalsContact C-N 3.31Å
356L49.2Very low51Low63 Ų63107.3 Ų107.333%0.3355%0.55SS..G310 helixtrans-81.4-5.1177-65.1158.2000113.1Y87 D353 P354 K360Y87-L356 HydrophobicContact CD2-CD2 3.41Å; Y87-L356 VanDerWaalsContact CD2-CD2 3.41Å; Y87-L356 HydrophobicContact CE2-CD2 3.17Å; Y87-L356 HydrophobicContact CE2-CG 4.42Å; Y87-L356 HydrophobicContact CG-CD2 4.46Å; Y87-L356 PolarHBondContact OH-O 3.03Å; D353-L356 HydrophobicContact CB-CD1 3.9Å; P354-L356 PolarHBondContact O-N 2.78Å; P354-L356 VanDerWaalsContact O-N 3.13Å; L356-K360 VanDerWaalsContact O-CG 3.24Å; L356-K360 WeakPolarHBondContact O-CG 3.48Å
357Q46.7Very low48.9Very low109 Ų109103.8 Ų103.851%0.50955%0.546SS..Hα-helixtrans-76.9-29.5-173.7-68-174.517.600114.2P354 Q355 L359 K360 R361P354-Q357 WeakPolarHBondContact O-CG 3.42Å; P354-Q357 PolarHBondContact O-N 2.79Å; Q355-Q357 VanDerWaalsContact C-N 3.31Å; Q357-L359 PolarHBondContact O-N 3.44Å; Q357-K360 PolarHBondContact O-N 3.23Å; Q357-R361 WeakPolarHBondContact O-CG 3.12Å; Q357-R361 PolarHBondContact O-N 2.93Å
358T49.8Very low47.3Very low112 Ų112104 Ų10469%0.68754%0.544SS*.Hα-helixtrans-67.5-35.8-171.5-6.80000113
359L47.3Very low46.1Very low20 Ų2099 Ų9911%0.10552%0.517CS..Hα-helixtrans-93.6-22175.4-77.9136000113.3M84 Y87 I91 Q357 R361 L362M84-L359 HydrophobicContact CE-CD1 3.31Å; M84-L359 HydrophobicContact CE-CD2 4.44Å; M84-L359 HydrophobicContact CE-CG 4.2Å; M84-L359 HydrophobicContact SD-CD1 3.8Å; Y87-L359 HydrophobicContact CD1-CB 4.14Å; Y87-L359 HydrophobicContact CD1-CD1 3.37Å; Y87-L359 HydrophobicContact CD1-CG 4.23Å; Y87-L359 HydrophobicContact CE1-CB 3.29Å; Y87-L359 HydrophobicContact CE1-CD1 3.41Å; Y87-L359 VanDerWaalsContact CE1-CD1 3.41Å; Y87-L359 HydrophobicContact CE1-CD2 4.44Å; Y87-L359 HydrophobicContact CE1-CG 3.86Å; I91-L359 HydrophobicContact CD1-CB 4.19Å; Q357-L359 PolarHBondContact O-N 3.44Å; L359-R361 PolarHBondContact O-N 3.39Å; L359-R361 VanDerWaalsContact O-N 3.15Å; L359-L362 HydrophobicContact CB-CD1 4.41Å; L359-L362 HydrophobicContact CD2-CD1 3.68Å; L359-L362 HydrophobicContact CG-CD1 4.44Å; L359-L362 WeakPolarHBondContact O-CB 3.49Å; L359-L362 PolarHBondContact O-N 2.86Å
360K49.2Very low45.2Very low149 Ų14992.2 Ų92.265%0.64850%0.502SS*.Hα-helixtrans-57.8-21.4165.2-81.2179.6180-174.80112.1L356 Q357 L362L356-K360 VanDerWaalsContact O-CG 3.24Å; L356-K360 WeakPolarHBondContact O-CG 3.48Å; Q357-K360 PolarHBondContact O-N 3.23Å; K360-L362 VanDerWaalsContact C-N 3.33Å
361R44Very low44.7Very low200 Ų20097.3 Ų97.376%0.75551%0.512SS*.THydrogen-bonded Turntrans-77.2-10.6174-71.2-179.8-172.1-164.12.7114.3Q357 L359Q357-R361 WeakPolarHBondContact O-CG 3.12Å; Q357-R361 PolarHBondContact O-N 2.93Å; L359-R361 PolarHBondContact O-N 3.39Å; L359-R361 VanDerWaalsContact O-N 3.15Å
362L44Very low44.4Very low42 Ų4290.5 Ų90.522%0.2248%0.475CS..SBendtrans-64.6131.7164.6-88.7125.2000107.7T74 L359 K360 I364T74-L362 HydrophobicContact CG2-CD1 4.26Å; T74-L362 HydrophobicContact CG2-CD2 3.59Å; L359-L362 HydrophobicContact CB-CD1 4.41Å; L359-L362 HydrophobicContact CD2-CD1 3.68Å; L359-L362 HydrophobicContact CG-CD1 4.44Å; L359-L362 WeakPolarHBondContact O-CB 3.49Å; L359-L362 PolarHBondContact O-N 2.86Å; K360-L362 VanDerWaalsContact C-N 3.33Å; L362-I364 HydrophobicContact CB-CD1 4.15Å; L362-I364 HydrophobicContact CB-CG1 4.05Å; L362-I364 PolarHBondContact O-N 2.79Å
363P36.6Very low44.1Very low79 Ų7989 Ų8951%0.51346%0.462SS..  trans-71.966.6171.531.4-33.3000109.2S365P363-S365 PolarHBondContact O-N 2.89Å
364I43Very low43.9Very low42 Ų4288.7 Ų88.722%0.21547%0.467CS..  trans-92.446.1157.9-47164000105.7I91 M92 L362I91-I364 HydrophobicContact CG2-CD1 3.66Å; M92-I364 HydrophobicContact SD-CD1 3.96Å; L362-I364 HydrophobicContact CB-CD1 4.15Å; L362-I364 HydrophobicContact CB-CG1 4.05Å; L362-I364 PolarHBondContact O-N 2.79Å
365S35.7Very low43.7Very low55 Ų5588.3 Ų88.339%0.38546%0.46SS..  trans-69.8132.6166.2175.40000106.2P363 S367 H368P363-S365 PolarHBondContact O-N 2.89Å; S365-S367 VanDerWaalsContact CB-OG 3.23Å; S365-S367 WeakPolarHBondContact CB-OG 3.36Å; S365-S367 PolarHBondContact O-N 3.3Å; S365-S367 WeakPolarHBondContact OG-CB 3.26Å; S365-S367 PolarHBondContact OG-N 3.29Å; S365-S367 PolarHBondContact OG-OG 2.88Å; S365-H368 PolarHBondContact O-N 3.48Å
366S38.9Very low43.8Very low89 Ų8982.6 Ų82.662%0.62243%0.434SS*.THydrogen-bonded Turntrans-51.6-15.4168.953.50000112.8L369S366-L369 CarbonylContact O-C 3.58Å; S366-L369 PolarHBondContact O-N 3Å
367S35.7Very low43.6Very low71 Ų7181.5 Ų81.550%0.49743%0.43SS..THydrogen-bonded Turntrans-67.1-29.9170.566.70000114.5S365 L369 S370S365-S367 VanDerWaalsContact CB-OG 3.23Å; S365-S367 WeakPolarHBondContact CB-OG 3.36Å; S365-S367 PolarHBondContact O-N 3.3Å; S365-S367 WeakPolarHBondContact OG-CB 3.26Å; S365-S367 PolarHBondContact OG-N 3.29Å; S365-S367 PolarHBondContact OG-OG 2.88Å; S367-L369 VanDerWaalsContact C-N 3.25Å; S367-L369 PolarHBondContact O-N 2.65Å; S367-S370 WeakPolarHBondContact O-CB 3.32Å; S367-S370 PolarHBondContact O-N 3.26Å; S367-S370 PolarHBondContact O-OG 2.68Å
368H40Very low43.6Very low113 Ų11378.6 Ų78.652%0.52342%0.42SS..THydrogen-bonded Turntrans-76.2-15.6174.1-78.9-73.7000113S365 S370S365-H368 PolarHBondContact O-N 3.48Å; H368-S370 VanDerWaalsContact C-N 3.34Å
369L45.7Very low43.2Very low40 Ų4076.5 Ų76.521%0.20940%0.404CS..THydrogen-bonded Turntrans-97.722.6170.9-66.5171000111.9C95 S366 S367 W371 L372C95-L369 HydrophobicContact CB-CD1 4.14Å; C95-L369 VanDerWaalsContact SG-CD1 3.59Å; S366-L369 CarbonylContact O-C 3.58Å; S366-L369 PolarHBondContact O-N 3Å; S367-L369 VanDerWaalsContact C-N 3.25Å; S367-L369 PolarHBondContact O-N 2.65Å; L369-W371 PolarHBondContact O-N 3.06Å; L369-L372 HydrophobicContact CB-CD1 3.9Å; L369-L372 HydrophobicContact CB-CG 4.27Å; L369-L372 HydrophobicContact CD1-CD1 3.98Å; L369-L372 HydrophobicContact CD2-CD1 3.92Å; L369-L372 HydrophobicContact CD2-CG 4.4Å; L369-L372 HydrophobicContact CG-CD1 4.15Å; L369-L372 WeakPolarHBondContact O-CB 3.45Å; L369-L372 PolarHBondContact O-N 2.82Å
370S43Very low42.7Very low64 Ų6480.6 Ų80.645%0.44843%0.432SS..Hα-helixtrans-50.4-29.4176.755.10000113.2S367 H368 L372 N373S367-S370 WeakPolarHBondContact O-CB 3.32Å; S367-S370 PolarHBondContact O-N 3.26Å; S367-S370 PolarHBondContact O-OG 2.68Å; H368-S370 VanDerWaalsContact C-N 3.34Å; S370-L372 VanDerWaalsContact C-N 3.33Å; S370-L372 PolarHBondContact O-N 2.79Å; S370-N373 PolarHBondContact O-N 3.15Å
371W48Very low42.1Very low190 Ų19082 Ų8272%0.7244%0.438SS*.Hα-helixtrans-65.3-25.1173.5-50.896.8000114.6L369 S374L369-W371 PolarHBondContact O-N 3.06Å; W371-S374 PolarHBondContact O-OG 3.01Å; W371-S374 VanDerWaalsContact O-OG 3.13Å
372L38.1Very low41.8Very low10 Ų1075.7 Ų75.75%0.05242%0.422CS..Hα-helixtrans-69.3-37173.6-72.5177.2000111.2D98 L99 M102 L369 S370 S374 N375 L376D98-L372 HydrophobicContact CB-CD1 3.93Å; L99-L372 HydrophobicContact CD1-CD2 4.36Å; M102-L372 HydrophobicContact CE-CD2 3.32Å; M102-L372 HydrophobicContact SD-CD2 4.11Å; L369-L372 HydrophobicContact CB-CD1 3.9Å; L369-L372 HydrophobicContact CB-CG 4.27Å; L369-L372 HydrophobicContact CD1-CD1 3.98Å; L369-L372 HydrophobicContact CD2-CD1 3.92Å; L369-L372 HydrophobicContact CD2-CG 4.4Å; L369-L372 HydrophobicContact CG-CD1 4.15Å; L369-L372 WeakPolarHBondContact O-CB 3.45Å; L369-L372 PolarHBondContact O-N 2.82Å; S370-L372 VanDerWaalsContact C-N 3.33Å; S370-L372 PolarHBondContact O-N 2.79Å; L372-S374 VanDerWaalsContact C-N 3.28Å; L372-S374 PolarHBondContact O-N 3.18Å; L372-N375 PolarHBondContact O-N 2.86Å; L372-L376 HydrophobicContact CB-CD1 4.3Å; L372-L376 WeakPolarHBondContact O-CD1 3.38Å; L372-L376 VanDerWaalsContact O-CG 3.23Å; L372-L376 WeakPolarHBondContact O-CG 3.43Å; L372-L376 PolarHBondContact O-N 3.11Å; L372-L376 VanDerWaalsContact O-N 3.16Å
373N41.9Very low41.2Very low108 Ų10882.8 Ų82.858%0.57845%0.451SS*.Hα-helixtrans-67-25.2-175.4-77.2-17000113.7S370S370-N373 PolarHBondContact O-N 3.15Å
374S46.6Very low41Very low85 Ų8587.4 Ų87.459%0.59447%0.466SS*.Hα-helixtrans-78.1-24179.456.50000113.6W371 L372W371-S374 PolarHBondContact O-OG 3.01Å; W371-S374 VanDerWaalsContact O-OG 3.13Å; L372-S374 VanDerWaalsContact C-N 3.28Å; L372-S374 PolarHBondContact O-N 3.18Å
375N46.6Very low40.5Very low82 Ų8293.6 Ų93.644%0.43949%0.492SS..Hα-helixtrans-116.7-7.8-169.5-68.2-24.4000114.5M102 L372M102-N375 HydrophobicContact SD-CB 3.84Å; L372-N375 PolarHBondContact O-N 2.86Å
376L49.7Very low40.3Very low11 Ų1199.9 Ų99.96%0.05852%0.515CS..SBendtrans-64.8149.4171.2-77.4162.6000110.3M102 A203 P204 L372 V378M102-L376 HydrophobicContact CB-CD2 4.41Å; A203-L376 HydrophobicContact CB-CD1 3.93Å; P204-L376 HydrophobicContact CG-CD2 4.19Å; L372-L376 HydrophobicContact CB-CD1 4.3Å; L372-L376 WeakPolarHBondContact O-CD1 3.38Å; L372-L376 VanDerWaalsContact O-CG 3.23Å; L372-L376 WeakPolarHBondContact O-CG 3.43Å; L372-L376 PolarHBondContact O-N 3.11Å; L372-L376 VanDerWaalsContact O-N 3.16Å; L376-V378 HydrophobicContact CB-CG2 3.9Å; L376-V378 PolarHBondContact O-N 2.61Å
377P45.5Very low39.8Very low40 Ų40104.6 Ų104.626%0.2653%0.527SS..  trans-74.451.4175.736.4-39000111L105L105-P377 HydrophobicContact CD1-CG 3.66Å
378V47.4Very low39.4Very low48 Ų48113.8 Ų113.829%0.29156%0.558SS.*BIsolated β-bridgetrans-81.4128.7172.9178.10000107.7L200 T201 L376 P380L200-V378 CarbonylContact O-C 3.59Å; L200-V378 VanDerWaalsContact O-CA 3.22Å; L200-V378 WeakPolarHBondContact O-CA 3.13Å; T201-V378 VanDerWaalsContact O-CG1 3.23Å; T201-V378 WeakPolarHBondContact O-CG1 3.21Å; L376-V378 HydrophobicContact CB-CG2 3.9Å; L376-V378 PolarHBondContact O-N 2.61Å; V378-P380 WeakPolarHBondContact O-CD 3.35Å
379N41.2Very low39.3Very low68 Ų68113.9 Ų113.936%0.36456%0.56SS.*  trans-62.9117.2177.2-172.7-6.1000110.2L200 K381L200-N379 PolarHBondContact O-N 3.08Å; N379-K381 PolarHBondContact O-N 3.36Å; N379-K381 PolarHBondContact OD1-N 2.67Å; N379-K381 VanDerWaalsContact OD1-N 3.14Å
380P37.1Very low39Very low106 Ų106117.7 Ų117.769%0.68858%0.579SS**G310 helixtrans-70.3-14.4-178.426.3-32.8000113.4V378 T382 K383V378-P380 WeakPolarHBondContact O-CD 3.35Å; P380-T382 PolarHBondContact O-N 3.01Å; P380-T382 VanDerWaalsContact O-N 3.09Å; P380-K383 PolarHBondContact O-N 3.03Å
381K34.9Very low38.8Very low178 Ų178120.7 Ų120.777%0.77459%0.586SS**G310 helixtrans-68.7-5-177.5-72.4-170176.2-176.90114.8N379N379-K381 PolarHBondContact O-N 3.36Å; N379-K381 PolarHBondContact OD1-N 2.67Å; N379-K381 VanDerWaalsContact OD1-N 3.14Å
382T38.4Very low38.2Very low68 Ų68116.6 Ų116.642%0.41758%0.578SS.*G310 helixtrans-103.2-2.7179.5-9.40000114.4P380 Q384 F385P380-T382 PolarHBondContact O-N 3.01Å; P380-T382 VanDerWaalsContact O-N 3.09Å; T382-Q384 PolarHBondContact O-N 3.37Å; T382-F385 PolarHBondContact O-N 2.94Å
383K32.1Very low38.2Very low191 Ų191123.3 Ų123.383%0.8361%0.611SS**THydrogen-bonded Turntrans-66.2-1.9172.6-88.7-170.7176.2-177.60114.7P380P380-K383 PolarHBondContact O-N 3.03Å
384Q31.8Very low38Very low177 Ų177124.3 Ų124.383%0.82761%0.613SS**THydrogen-bonded Turntrans-100.44.7177.2-74.8-163.9-14.500115.1T382T382-Q384 PolarHBondContact O-N 3.37Å
385F31.9Very low37.4Very low171 Ų171127.1 Ų127.175%0.7561%0.614SS**SBendtrans-111.910.9179.7-84.7-75.1000115.8T382T382-F385 PolarHBondContact O-N 2.94Å
386E31.9Very low36.7Very low188 Ų188130.6 Ų130.688%0.87963%0.628SS**SBendtrans-115.215171.7-75.5-170157.200114.5
387E27.7Very low35.6Very low187 Ų187140.6 Ų140.687%0.87468%0.675SS**  trans-116.124.1172.1-83.6-171.216900114.8
388K27Very low34.7Very low265 Ų265149.7 Ų149.7100%1.15271%0.713SS**  trans-143.50162-77.8-170.9177.9179.70109.7

Retrieved 388 of 388 residues in 903.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).