A0A077Z9S1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z9S1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 860 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M66Low74.8Confident18 Ų1856.5 Ų56.59%0.08929%0.292CS..  080.80-99.1172.9-166.300110.9E5 F6 L9 R69 I91 S94 Q98M1-E5 WeakPolarHBondContact CA-OE2 3.47Å; M1-E5 HydrophobicContact CB-CB 4.35Å; M1-E5 HydrophobicContact CE-CB 4.35Å; M1-E5 HydrophobicContact CG-CB 3.49Å; M1-E5 VanDerWaalsContact CG-CB 3.49Å; M1-E5 PolarHBondContact N-OE2 3.36Å; M1-F6 HydrophobicContact CG-CB 4.43Å; M1-L9 HydrophobicContact CE-CB 3.84Å; M1-L9 HydrophobicContact CE-CD1 4.49Å; M1-L9 HydrophobicContact CE-CD2 3.88Å; M1-L9 HydrophobicContact CE-CG 4.28Å; M1-L9 HydrophobicContact SD-CB 4.41Å; M1-L9 HydrophobicContact SD-CD2 3.85Å; M1-R69 PolarHBondContact O-NE 3.21Å; M1-R69 VanDerWaalsContact O-NE 3.09Å; M1-I91 HydrophobicContact CE-CG2 3.91Å; M1-S94 PolarHBondContact N-OG 3.21Å; M1-Q98 VanDerWaalsContact CB-OE1 3.29Å
2N66.6Low74.5Confident60 Ų6053.9 Ų53.932%0.32128%0.28SS..  trans-62.7169.6156.560.749.1000110T4 E5 F6N2-T4 PolarHBondContact O-N 3.17Å; N2-T4 VanDerWaalsContact O-N 3.17Å; N2-T4 WeakPolarHBondContact OD1-CA 3.49Å; N2-T4 VanDerWaalsContact OD1-CB 3.29Å; N2-T4 WeakPolarHBondContact OD1-CB 3.26Å; N2-T4 PolarHBondContact OD1-N 3.35Å; N2-T4 VanDerWaalsContact OD1-N 3.09Å; N2-E5 PolarHBondContact N-OE2 2.89Å; N2-E5 PolarHBondContact ND2-OE1 3.36Å; N2-E5 PolarHBondContact O-N 3.15Å; N2-E5 WeakPolarHBondContact OD1-CG 3.45Å; N2-E5 PolarHBondContact OD1-N 2.73Å; N2-F6 PolarHBondContact O-N 2.83Å
3H71.7Confident75.3Confident123 Ų12351.2 Ų51.257%0.56927%0.268SS*.Hα-helixtrans-58.3-31.1-178.1-165.7-28.8000112.3N7H3-N7 PolarHBondContact CE1-ND2 3.13Å; H3-N7 VanDerWaalsContact CE1-ND2 3.34Å; H3-N7 PolarHBondContact CE1-OD1 2.99Å; H3-N7 PolarHBondContact ND1-ND2 3.17Å; H3-N7 VanDerWaalsContact ND1-ND2 3.17Å; H3-N7 PolarHBondContact ND1-OD1 3.16Å; H3-N7 VanDerWaalsContact ND1-OD1 3.12Å; H3-N7 VanDerWaalsContact O-CB 3.31Å; H3-N7 WeakPolarHBondContact O-CB 3.33Å; H3-N7 PolarHBondContact O-N 3.19Å; H3-N7 PolarHBondContact O-OD1 3.49Å
4T73.1Confident75.8Confident78 Ų7852.8 Ų52.848%0.47929%0.293SS..Hα-helixtrans-68.9-50.8178-42.10000111.1N2 F6 N7 T8 L79N2-T4 PolarHBondContact O-N 3.17Å; N2-T4 VanDerWaalsContact O-N 3.17Å; N2-T4 WeakPolarHBondContact OD1-CA 3.49Å; N2-T4 VanDerWaalsContact OD1-CB 3.29Å; N2-T4 WeakPolarHBondContact OD1-CB 3.26Å; N2-T4 PolarHBondContact OD1-N 3.35Å; N2-T4 VanDerWaalsContact OD1-N 3.09Å; T4-F6 VanDerWaalsContact C-N 3.33Å; T4-F6 PolarHBondContact O-N 3.45Å; T4-N7 PolarHBondContact O-N 3.37Å; T4-T8 WeakPolarHBondContact O-CB 3.45Å; T4-T8 PolarHBondContact O-N 3.01Å; T4-T8 PolarHBondContact O-OG1 3.42Å; T4-L79 HydrophobicContact CG2-CD1 3.54Å
5E70.6Confident75.6Confident18 Ų1854.1 Ų54.18%0.08430%0.299CS..Hα-helixtrans-60.8-39176.9-71.6160.2-152.200112.4M1 N2 T8 L9 S94M1-E5 WeakPolarHBondContact CA-OE2 3.47Å; M1-E5 HydrophobicContact CB-CB 4.35Å; M1-E5 HydrophobicContact CE-CB 4.35Å; M1-E5 HydrophobicContact CG-CB 3.49Å; M1-E5 VanDerWaalsContact CG-CB 3.49Å; M1-E5 PolarHBondContact N-OE2 3.36Å; N2-E5 PolarHBondContact N-OE2 2.89Å; N2-E5 PolarHBondContact ND2-OE1 3.36Å; N2-E5 PolarHBondContact O-N 3.15Å; N2-E5 WeakPolarHBondContact OD1-CG 3.45Å; N2-E5 PolarHBondContact OD1-N 2.73Å; E5-T8 WeakPolarHBondContact O-CB 3.19Å; E5-T8 PolarHBondContact O-N 3.15Å; E5-L9 WeakPolarHBondContact O-CB 3.42Å; E5-L9 PolarHBondContact O-N 3.45Å; E5-S94 PolarHBondContact OE2-OG 3.06Å
6F77.6Confident75.6Confident33 Ų3352.5 Ų52.515%0.14529%0.287CS..Hα-helixtrans-70.3-38.8176.4-180-108000112.2M1 N2 T4 T8 L9 K10 L53 A56 D57M1-F6 HydrophobicContact CG-CB 4.43Å; N2-F6 PolarHBondContact O-N 2.83Å; T4-F6 VanDerWaalsContact C-N 3.33Å; T4-F6 PolarHBondContact O-N 3.45Å; F6-T8 VanDerWaalsContact C-N 3.33Å; F6-L9 PolarHBondContact O-N 3.39Å; F6-K10 HydrophobicContact CD1-CD 4.36Å; F6-K10 HydrophobicContact CE1-CD 3.79Å; F6-K10 HydrophobicContact CE1-CG 4.47Å; F6-K10 HydrophobicContact CZ-CD 4Å; F6-K10 HydrophobicContact CZ-CG 4.47Å; F6-K10 WeakPolarHBondContact O-CB 3.43Å; F6-K10 PolarHBondContact O-N 2.07Å; F6-L53 HydrophobicContact CE2-CD1 4.14Å; F6-A56 HydrophobicContact CD2-CB 4.1Å; F6-A56 HydrophobicContact CE2-CB 3.73Å; F6-D57 HydrophobicContact CZ-CB 4.33Å
7N79Confident75.3Confident67 Ų6758.1 Ų58.136%0.35831%0.311SS..Hα-helixtrans-64.3-39.5170.3-75.7-4.3000111.3H3 T4 K10 N11H3-N7 PolarHBondContact CE1-ND2 3.13Å; H3-N7 VanDerWaalsContact CE1-ND2 3.34Å; H3-N7 PolarHBondContact CE1-OD1 2.99Å; H3-N7 PolarHBondContact ND1-ND2 3.17Å; H3-N7 VanDerWaalsContact ND1-ND2 3.17Å; H3-N7 PolarHBondContact ND1-OD1 3.16Å; H3-N7 VanDerWaalsContact ND1-OD1 3.12Å; H3-N7 VanDerWaalsContact O-CB 3.31Å; H3-N7 WeakPolarHBondContact O-CB 3.33Å; H3-N7 PolarHBondContact O-N 3.19Å; H3-N7 PolarHBondContact O-OD1 3.49Å; T4-N7 PolarHBondContact O-N 3.37Å; N7-K10 PolarHBondContact O-N 3.22Å; N7-N11 WeakPolarHBondContact O-CB 2.97Å; N7-N11 PolarHBondContact O-N 3.42Å; N7-N11 PolarHBondContact O-ND2 3.19Å; N7-N11 PolarHBondContact O-OD1 2.96Å
8T75.9Confident74.9Confident44 Ų4462.2 Ų62.227%0.2733%0.325SS..Hα-helixtrans-59.6-50.8174.2-65.70000109.8T4 E5 F6 K10 N11 V12 F87 I91T4-T8 WeakPolarHBondContact O-CB 3.45Å; T4-T8 PolarHBondContact O-N 3.01Å; T4-T8 PolarHBondContact O-OG1 3.42Å; E5-T8 WeakPolarHBondContact O-CB 3.19Å; E5-T8 PolarHBondContact O-N 3.15Å; F6-T8 VanDerWaalsContact C-N 3.33Å; T8-K10 VanDerWaalsContact C-N 3.34Å; T8-K10 PolarHBondContact O-N 3.34Å; T8-N11 PolarHBondContact O-N 3.45Å; T8-V12 HydrophobicContact CG2-CG2 4.18Å; T8-V12 WeakPolarHBondContact O-CB 3.4Å; T8-V12 WeakPolarHBondContact O-CG2 3.19Å; T8-V12 PolarHBondContact O-N 2.74Å; T8-F87 HydrophobicContact CG2-CE2 3.71Å; T8-F87 HydrophobicContact CG2-CZ 4.48Å; T8-I91 HydrophobicContact CG2-CD1 4.28Å
9L78Confident74.3Confident0 Ų061 Ų610%032%0.319CS..Hα-helixtrans-54.8-47.5174.4-176.967.2000111.7M1 E5 F6 V12 C13 L52 L53M1-L9 HydrophobicContact CE-CB 3.84Å; M1-L9 HydrophobicContact CE-CD1 4.49Å; M1-L9 HydrophobicContact CE-CD2 3.88Å; M1-L9 HydrophobicContact CE-CG 4.28Å; M1-L9 HydrophobicContact SD-CB 4.41Å; M1-L9 HydrophobicContact SD-CD2 3.85Å; E5-L9 WeakPolarHBondContact O-CB 3.42Å; E5-L9 PolarHBondContact O-N 3.45Å; F6-L9 PolarHBondContact O-N 3.39Å; L9-V12 PolarHBondContact O-N 3.17Å; L9-C13 WeakPolarHBondContact O-CB 3.35Å; L9-C13 PolarHBondContact O-N 3.42Å; L9-C13 PolarHBondContact O-SG 2.93Å; L9-L52 HydrophobicContact CD2-CB 4.41Å; L9-L53 HydrophobicContact CD2-CB 3.95Å; L9-L53 HydrophobicContact CD2-CD1 4.11Å; L9-L53 HydrophobicContact CG-CB 4.26Å; L9-L53 HydrophobicContact CG-CD1 4.34Å
10K84.4Confident73.8Confident70 Ų7061.2 Ų61.230%0.30432%0.32SS..Hα-helixtrans-62.5-42.9177-82.4-168.7164-172.80113.5F6 N7 T8 V12 C13 A14 L53 D57F6-K10 HydrophobicContact CD1-CD 4.36Å; F6-K10 HydrophobicContact CE1-CD 3.79Å; F6-K10 HydrophobicContact CE1-CG 4.47Å; F6-K10 HydrophobicContact CZ-CD 4Å; F6-K10 HydrophobicContact CZ-CG 4.47Å; F6-K10 WeakPolarHBondContact O-CB 3.43Å; F6-K10 PolarHBondContact O-N 2.07Å; N7-K10 PolarHBondContact O-N 3.22Å; T8-K10 VanDerWaalsContact C-N 3.34Å; T8-K10 PolarHBondContact O-N 3.34Å; K10-V12 VanDerWaalsContact C-N 3.34Å; K10-C13 PolarHBondContact O-N 3.4Å; K10-A14 WeakPolarHBondContact O-CB 3.41Å; K10-A14 PolarHBondContact O-N 2.93Å; K10-L53 HydrophobicContact CD-CD1 4.5Å; K10-L53 HydrophobicContact CG-CD1 3.65Å; K10-D57 VanDerWaalsContact CE-OD1 3.32Å; K10-D57 WeakPolarHBondContact CE-OD1 3.44Å; K10-D57 WeakPolarHBondContact CE-OD2 3.31Å; K10-D57 IonicContact NZ-OD1 2.64Å; K10-D57 PolarHBondContact NZ-OD1 3.16Å; K10-D57 IonicContact NZ-OD2 3.01Å; K10-D57 PolarHBondContact NZ-OD2 2.88Å
11N79.6Confident73.5Confident111 Ų11162.2 Ų62.259%0.59433%0.326SS*.Hα-helixtrans-66.3-39.4178.8-69-20.4000111.4N7 T8 A14N7-N11 WeakPolarHBondContact O-CB 2.97Å; N7-N11 PolarHBondContact O-N 3.42Å; N7-N11 PolarHBondContact O-ND2 3.19Å; N7-N11 PolarHBondContact O-OD1 2.96Å; T8-N11 PolarHBondContact O-N 3.45Å; N11-A14 WeakPolarHBondContact O-CB 3.17Å; N11-A14 PolarHBondContact O-N 2.98Å
12V71.8Confident73.3Confident25 Ų2562.9 Ų62.915%0.15233%0.332CS..Hα-helixtrans-67.6-42.6178.3163.90000110.2T8 L9 K10 A14 D15 Y45 F87T8-V12 HydrophobicContact CG2-CG2 4.18Å; T8-V12 WeakPolarHBondContact O-CB 3.4Å; T8-V12 WeakPolarHBondContact O-CG2 3.19Å; T8-V12 PolarHBondContact O-N 2.74Å; L9-V12 PolarHBondContact O-N 3.17Å; K10-V12 VanDerWaalsContact C-N 3.34Å; V12-A14 VanDerWaalsContact C-N 3.34Å; V12-D15 PolarHBondContact O-N 2.67Å; V12-Y45 HydrophobicContact CB-CE1 4.48Å; V12-Y45 HydrophobicContact CG1-CD1 3.76Å; V12-Y45 HydrophobicContact CG1-CE1 3.25Å; V12-F87 HydrophobicContact CB-CZ 3.85Å; V12-F87 HydrophobicContact CG1-CE1 3.67Å; V12-F87 HydrophobicContact CG1-CZ 3.44Å; V12-F87 VanDerWaalsContact CG1-CZ 3.44Å; V12-F87 HydrophobicContact CG2-CE1 4.09Å; V12-F87 HydrophobicContact CG2-CE2 3.57Å; V12-F87 HydrophobicContact CG2-CZ 3.19Å
13C84Confident73Confident18 Ų1865.1 Ų65.112%0.12234%0.341CS..Hα-helixtrans-76.6-17.5175.4-62.60000114L9 K10 D15 Y16 C49 L53L9-C13 WeakPolarHBondContact O-CB 3.35Å; L9-C13 PolarHBondContact O-N 3.42Å; L9-C13 PolarHBondContact O-SG 2.93Å; K10-C13 PolarHBondContact O-N 3.4Å; C13-D15 PolarHBondContact O-N 3.02Å; C13-Y16 WeakPolarHBondContact O-CB 3.46Å; C13-Y16 PolarHBondContact O-N 2.96Å; C13-Y16 VanDerWaalsContact O-N 3.08Å; C13-C49 WeakPolarHBondContact CA-SG 3.42Å; C13-C49 HydrophobicContact CB-CB 3.78Å; C13-C49 WeakPolarHBondContact CB-SG 3.36Å; C13-C49 WeakPolarHBondContact SG-CA 3.35Å; C13-C49 WeakPolarHBondContact SG-CB 3.37Å; C13-C49 CovalentContact SG-SG 2.04Å; C13-C49 PolarHBondContact SG-SG 2.86Å; C13-L53 HydrophobicContact CB-CD2 3.54Å
14A83.4Confident72.3Confident74 Ų7465.7 Ų65.761%0.61234%0.344SS*.Hα-helixtrans-67.1-24.4172.900000112.7K10 N11 V12K10-A14 WeakPolarHBondContact O-CB 3.41Å; K10-A14 PolarHBondContact O-N 2.93Å; N11-A14 WeakPolarHBondContact O-CB 3.17Å; N11-A14 PolarHBondContact O-N 2.98Å; V12-A14 VanDerWaalsContact C-N 3.34Å
15D72.8Confident71.6Confident73 Ų7366.7 Ų66.739%0.3935%0.346SS..THydrogen-bonded Turntrans-98.26.8171.3-74.5-28.7000112.9V12 C13 E17 K18 L19V12-D15 PolarHBondContact O-N 2.67Å; C13-D15 PolarHBondContact O-N 3.02Å; D15-E17 PolarHBondContact O-N 3.32Å; D15-K18 HydrophobicContact CB-CD 4.44Å; D15-K18 WeakPolarHBondContact O-CA 3.4Å; D15-K18 WeakPolarHBondContact O-CB 3.41Å; D15-K18 PolarHBondContact O-N 3.18Å; D15-K18 WeakPolarHBondContact OD1-CD 3.38Å; D15-K18 VanDerWaalsContact OD1-CE 3.3Å; D15-K18 WeakPolarHBondContact OD1-CE 3.17Å; D15-K18 IonicContact OD1-NZ 3.41Å; D15-K18 PolarHBondContact OD1-NZ 3.4Å; D15-L19 PolarHBondContact O-N 3.09Å
16Y74.6Confident70.8Confident28 Ų2868.2 Ų68.211%0.1135%0.354CS..Hα-helixtrans-59.4-42.5-179.5-176.3-124.6000112.4C13 K18 L19 L20 T46 C49 E50C13-Y16 WeakPolarHBondContact O-CB 3.46Å; C13-Y16 PolarHBondContact O-N 2.96Å; C13-Y16 VanDerWaalsContact O-N 3.08Å; Y16-K18 PolarHBondContact O-N 2.71Å; Y16-L19 WeakPolarHBondContact O-CB 3.21Å; Y16-L19 PolarHBondContact O-N 2.94Å; Y16-L19 VanDerWaalsContact O-N 3.1Å; Y16-L20 HydrophobicContact CD1-CD1 3.94Å; Y16-L20 HydrophobicContact CD2-CG 4.48Å; Y16-L20 HydrophobicContact CE1-CD1 3.68Å; Y16-L20 HydrophobicContact CE1-CG 4.26Å; Y16-L20 HydrophobicContact CE2-CD2 4.25Å; Y16-L20 HydrophobicContact CE2-CG 4.22Å; Y16-L20 HydrophobicContact CG-CD1 4.48Å; Y16-L20 WeakPolarHBondContact O-CG 3.42Å; Y16-L20 PolarHBondContact O-N 2.81Å; Y16-T46 WeakPolarHBondContact OH-CA 3.08Å; Y16-T46 PolarHBondContact OH-OG1 3.27Å; Y16-C49 HydrophobicContact CD1-CB 3.93Å; Y16-C49 HydrophobicContact CD2-CB 4.15Å; Y16-C49 HydrophobicContact CE1-CB 4.22Å; Y16-C49 HydrophobicContact CE2-CB 4.44Å; Y16-C49 HydrophobicContact CG-CB 3.9Å; Y16-E50 HydrophobicContact CE1-CG 4.09Å; Y16-E50 PolarHBondContact OH-OE1 3.39Å
17E71.5Confident69.7Low148 Ų14871.5 Ų71.569%0.69238%0.381SS*.Hα-helixtrans-59.4-35.2172.7-71.7-170.4164.100112.3D15 N21D15-E17 PolarHBondContact O-N 3.32Å; E17-N21 VanDerWaalsContact O-CB 3.31Å; E17-N21 WeakPolarHBondContact O-CB 3.18Å; E17-N21 PolarHBondContact O-N 3.04Å; E17-N21 PolarHBondContact O-ND2 3.46Å
18K67.9Low68.6Low131 Ų13170.1 Ų70.157%0.5738%0.377SS*.Hα-helixtrans-72.6-32176.6-60178.2-168.9155.40112.1D15 Y16 C22D15-K18 HydrophobicContact CB-CD 4.44Å; D15-K18 WeakPolarHBondContact O-CA 3.4Å; D15-K18 WeakPolarHBondContact O-CB 3.41Å; D15-K18 PolarHBondContact O-N 3.18Å; D15-K18 WeakPolarHBondContact OD1-CD 3.38Å; D15-K18 VanDerWaalsContact OD1-CE 3.3Å; D15-K18 WeakPolarHBondContact OD1-CE 3.17Å; D15-K18 IonicContact OD1-NZ 3.41Å; D15-K18 PolarHBondContact OD1-NZ 3.4Å; Y16-K18 PolarHBondContact O-N 2.71Å; K18-C22 PolarHBondContact O-N 2.83Å
19L63.1Low67.6Low40 Ų4074.5 Ų74.521%0.20941%0.409CS..Hα-helixtrans-69.4-46.2174.2-77.9160.2000111.2D15 Y16 N21 C22 E23 T38 Y45D15-L19 PolarHBondContact O-N 3.09Å; Y16-L19 WeakPolarHBondContact O-CB 3.21Å; Y16-L19 PolarHBondContact O-N 2.94Å; Y16-L19 VanDerWaalsContact O-N 3.1Å; L19-N21 VanDerWaalsContact C-N 3.31Å; L19-N21 PolarHBondContact O-N 3.4Å; L19-C22 PolarHBondContact O-N 2.94Å; L19-E23 PolarHBondContact O-N 3.47Å; L19-T38 HydrophobicContact CD2-CG2 3.99Å; L19-Y45 HydrophobicContact CD1-CD1 3.37Å; L19-Y45 HydrophobicContact CD1-CD2 4.24Å; L19-Y45 HydrophobicContact CD1-CE1 3.18Å; L19-Y45 HydrophobicContact CD1-CE2 4.15Å; L19-Y45 HydrophobicContact CD1-CG 3.91Å
20L65.1Low66.5Low65 Ų6578.8 Ų78.834%0.3444%0.439SS..Hα-helixtrans-55-46.7170.2-68.4172.3000110.9Y16 C22 E23 E24Y16-L20 HydrophobicContact CD1-CD1 3.94Å; Y16-L20 HydrophobicContact CD2-CG 4.48Å; Y16-L20 HydrophobicContact CE1-CD1 3.68Å; Y16-L20 HydrophobicContact CE1-CG 4.26Å; Y16-L20 HydrophobicContact CE2-CD2 4.25Å; Y16-L20 HydrophobicContact CE2-CG 4.22Å; Y16-L20 HydrophobicContact CG-CD1 4.48Å; Y16-L20 WeakPolarHBondContact O-CG 3.42Å; Y16-L20 PolarHBondContact O-N 2.81Å; L20-C22 VanDerWaalsContact C-N 3.33Å; L20-C22 PolarHBondContact O-N 3.26Å; L20-E23 WeakPolarHBondContact O-CB 3.46Å; L20-E23 PolarHBondContact O-N 3.47Å; L20-E23 VanDerWaalsContact O-N 3.13Å; L20-E24 PolarHBondContact O-N 2.99Å
21N67.7Low65Low82 Ų8276.7 Ų76.744%0.43943%0.433SS..Hα-helixtrans-67.1-27.1176.3-66.7-27.8000113.6E17 L19 L25E17-N21 VanDerWaalsContact O-CB 3.31Å; E17-N21 WeakPolarHBondContact O-CB 3.18Å; E17-N21 PolarHBondContact O-N 3.04Å; E17-N21 PolarHBondContact O-ND2 3.46Å; L19-N21 VanDerWaalsContact C-N 3.31Å; L19-N21 PolarHBondContact O-N 3.4Å; N21-L25 WeakPolarHBondContact O-CB 3.31Å; N21-L25 WeakPolarHBondContact O-CG 2.94Å; N21-L25 PolarHBondContact O-N 3.45Å
22C60.5Low63.7Low33 Ų3379.8 Ų79.822%0.22344%0.444CS..Hα-helixtrans-73.6-35.3170.7-115.90000111.2K18 L19 L20 E24 L25 L26 C34K18-C22 PolarHBondContact O-N 2.83Å; L19-C22 PolarHBondContact O-N 2.94Å; L20-C22 VanDerWaalsContact C-N 3.33Å; L20-C22 PolarHBondContact O-N 3.26Å; C22-E24 VanDerWaalsContact C-N 3.3Å; C22-L25 PolarHBondContact O-N 2.04Å; C22-L26 WeakPolarHBondContact O-CB 3.04Å; C22-L26 WeakPolarHBondContact O-CD1 3.3Å; C22-L26 VanDerWaalsContact O-CG 3.25Å; C22-L26 WeakPolarHBondContact O-CG 3.21Å; C22-L26 PolarHBondContact O-N 3.44Å; C22-C34 VanDerWaalsContact CA-SG 3.59Å; C22-C34 HydrophobicContact CB-CB 4.09Å; C22-C34 WeakPolarHBondContact CB-SG 3.07Å; C22-C34 WeakPolarHBondContact SG-CB 3.3Å; C22-C34 CovalentContact SG-SG 2.06Å; C22-C34 PolarHBondContact SG-SG 2.8Å
23E61Low62.8Low107 Ų10784.1 Ų84.150%0.547%0.473SS..Hα-helixtrans-61.2-40.1172.1-163.7174.9173.800110.7L19 L20L19-E23 PolarHBondContact O-N 3.47Å; L20-E23 WeakPolarHBondContact O-CB 3.46Å; L20-E23 PolarHBondContact O-N 3.47Å; L20-E23 VanDerWaalsContact O-N 3.13Å
24E57.5Low61.6Low135 Ų13583.9 Ų83.963%0.63147%0.471SS*.Hα-helixtrans-63.1-47.1169.3-65.6-169.9161.100112.5L20 C22 L26 S27L20-E24 PolarHBondContact O-N 2.99Å; C22-E24 VanDerWaalsContact C-N 3.3Å; E24-L26 VanDerWaalsContact C-N 3.31Å; E24-L26 PolarHBondContact O-N 3.29Å; E24-S27 WeakPolarHBondContact O-CB 3.35Å; E24-S27 PolarHBondContact O-N 2.81Å; E24-S27 VanDerWaalsContact O-N 3.14Å; E24-S27 PolarHBondContact O-OG 3.37Å
25L57.5Low60Low98 Ų9885 Ų8551%0.51347%0.466SS..Hα-helixtrans-66.5-27.4-179.4-78.2165.4000113.9N21 C22 S27 S28N21-L25 WeakPolarHBondContact O-CB 3.31Å; N21-L25 WeakPolarHBondContact O-CG 2.94Å; N21-L25 PolarHBondContact O-N 3.45Å; C22-L25 PolarHBondContact O-N 2.04Å; L25-S27 PolarHBondContact O-N 3.2Å; L25-S28 WeakPolarHBondContact O-CB 3.36Å; L25-S28 PolarHBondContact O-N 3.31Å; L25-S28 PolarHBondContact O-OG 3.39Å
26L52.9Low59.1Low50 Ų5088.6 Ų88.626%0.26249%0.486SS..THydrogen-bonded Turntrans-62.7-21174-79.8160.2000112.7C22 E24 S28 C34 L35 V39C22-L26 WeakPolarHBondContact O-CB 3.04Å; C22-L26 WeakPolarHBondContact O-CD1 3.3Å; C22-L26 VanDerWaalsContact O-CG 3.25Å; C22-L26 WeakPolarHBondContact O-CG 3.21Å; C22-L26 PolarHBondContact O-N 3.44Å; E24-L26 VanDerWaalsContact C-N 3.31Å; E24-L26 PolarHBondContact O-N 3.29Å; L26-S28 VanDerWaalsContact C-N 3.28Å; L26-C34 HydrophobicContact CD1-CB 4.27Å; L26-C34 HydrophobicContact CD2-CB 3.94Å; L26-C34 HydrophobicContact CG-CB 3.85Å; L26-L35 HydrophobicContact CD2-CD2 3.67Å; L26-L35 HydrophobicContact CD2-CG 3.74Å; L26-V39 HydrophobicContact CD1-CG2 3.71Å
27S54.9Low58Low102 Ų10294.9 Ų94.971%0.71352%0.516SS*.THydrogen-bonded Turntrans-76.5-11.3171.7770000114.2E24 L25E24-S27 WeakPolarHBondContact O-CB 3.35Å; E24-S27 PolarHBondContact O-N 2.81Å; E24-S27 VanDerWaalsContact O-N 3.14Å; E24-S27 PolarHBondContact O-OG 3.37Å; L25-S27 PolarHBondContact O-N 3.2Å
28S55.6Low57.2Low39 Ų3990.2 Ų90.227%0.27350%0.498SS..SBendtrans-94.2149.2176.378.90000111.9L25 L26 S30 S31L25-S28 WeakPolarHBondContact O-CB 3.36Å; L25-S28 PolarHBondContact O-N 3.31Å; L25-S28 PolarHBondContact O-OG 3.39Å; L26-S28 VanDerWaalsContact C-N 3.28Å; S28-S30 PolarHBondContact O-N 3.45Å; S28-S30 PolarHBondContact OG-OG 2.9Å; S28-S30 VanDerWaalsContact OG-OG 3.12Å; S28-S31 PolarHBondContact O-OG 3.2Å
29S55.7Low56.4Low136 Ų13688.5 Ų88.595%0.95150%0.498SS*.THydrogen-bonded Turntrans-71.413.6-179.553.30000115.3
30S54.3Low56Low89 Ų8995.2 Ų95.262%0.62253%0.528SS*.THydrogen-bonded Turntrans-118.428.4-177.1440000113.1S28S28-S30 PolarHBondContact O-N 3.45Å; S28-S30 PolarHBondContact OG-OG 2.9Å; S28-S30 VanDerWaalsContact OG-OG 3.12Å
31S53.2Low55.9Low26 Ų2693.8 Ų93.818%0.18252%0.521CS..  trans-905.7-161.754.50000117.4S28 C34S28-S31 PolarHBondContact O-OG 3.2Å; S31-C34 PolarHBondContact O-N 2.96Å
32E51.9Low56Low176 Ų17691.2 Ų91.282%0.82251%0.513SS*.THydrogen-bonded Turntrans-46.4-34.5176.2-78.7-172.5142.500115.2
33P54.4Low56.1Low117 Ų11793.8 Ų93.876%0.7652%0.524SS*.THydrogen-bonded Turntrans-72.7-28.6177.9-20.634.3000116.1
34C57.6Low56.7Low13 Ų1388.9 Ų88.99%0.08850%0.501CS..THydrogen-bonded Turntrans-86.9-10.6-177.7-69.50000112.9C22 L26 S31 N36 T38C22-C34 VanDerWaalsContact CA-SG 3.59Å; C22-C34 HydrophobicContact CB-CB 4.09Å; C22-C34 WeakPolarHBondContact CB-SG 3.07Å; C22-C34 WeakPolarHBondContact SG-CB 3.3Å; C22-C34 CovalentContact SG-SG 2.06Å; C22-C34 PolarHBondContact SG-SG 2.8Å; L26-C34 HydrophobicContact CD1-CB 4.27Å; L26-C34 HydrophobicContact CD2-CB 3.94Å; L26-C34 HydrophobicContact CG-CB 3.85Å; S31-C34 PolarHBondContact O-N 2.96Å; C34-N36 PolarHBondContact O-N 3.13Å; C34-T38 PolarHBondContact O-OG1 3.46Å
35L50.3Low57.5Low96 Ų9684.1 Ų84.150%0.50348%0.478SS..THydrogen-bonded Turntrans-85.8-5.8-162.2-87.2166.4000116.7L26L26-L35 HydrophobicContact CD2-CD2 3.67Å; L26-L35 HydrophobicContact CD2-CG 3.74Å
36N53.2Low58.2Low149 Ų14981.4 Ų81.480%0.79747%0.465SS*.THydrogen-bonded Turntrans-88.8-13.1-162.8-104.52.6000117.2C34C34-N36 PolarHBondContact O-N 3.13Å
37E52.1Low59.6Low160 Ų16079.7 Ų79.775%0.74846%0.456SS*.THydrogen-bonded Turntrans-161.5-14.6178.4-115.5153.4-134.800117.3
38T54.9Low60.8Low50 Ų5075 Ų7531%0.30742%0.423SS..  trans-103.2-13.2-157.244.40000118.3L19 C34 H40 D41L19-T38 HydrophobicContact CD2-CG2 3.99Å; C34-T38 PolarHBondContact O-OG1 3.46Å; T38-H40 PolarHBondContact O-N 3.38Å; T38-D41 PolarHBondContact O-N 3.01Å
39V52.1Low62.1Low95 Ų9573.9 Ų73.958%0.57642%0.415SS*.G310 helixtrans-70.1-28.5-167-176.60000113.8L26 D41L26-V39 HydrophobicContact CD1-CG2 3.71Å; V39-D41 VanDerWaalsContact C-N 3.34Å; V39-D41 PolarHBondContact O-N 3.18Å
40H53.4Low63.3Low181 Ų18172.1 Ų72.184%0.83839%0.392SS*.G310 helixtrans-75.2-22.2-178.9-106.2-57.5000113.9T38T38-H40 PolarHBondContact O-N 3.38Å
41D64.1Low64.4Low36 Ų3669.7 Ų69.719%0.19337%0.371CS..G310 helixtrans-87.9-7.3-172-67.9-23.5000113.8T38 V39 L43 I44 Y45T38-D41 PolarHBondContact O-N 3.01Å; V39-D41 VanDerWaalsContact C-N 3.34Å; V39-D41 PolarHBondContact O-N 3.18Å; D41-L43 PolarHBondContact O-N 3.05Å; D41-I44 HydrophobicContact CB-CD1 4.32Å; D41-I44 WeakPolarHBondContact O-CA 3.05Å; D41-I44 VanDerWaalsContact O-CB 3.3Å; D41-I44 WeakPolarHBondContact O-CB 3.48Å; D41-I44 PolarHBondContact O-N 2.89Å; D41-Y45 HydrophobicContact CB-CD2 3.55Å; D41-Y45 HydrophobicContact CB-CE2 3.51Å; D41-Y45 WeakPolarHBondContact O-CD2 3.3Å; D41-Y45 PolarHBondContact O-N 3.31Å
42G68.5Low65.7Low27 Ų2768.6 Ų68.628%0.27836%0.364SS..Hα-helixtrans-50.9-40.2-171.200000114.2I44 Y45 T46G42-I44 PolarHBondContact O-N 3.29Å; G42-Y45 PolarHBondContact O-N 3.31Å; G42-T46 WeakPolarHBondContact O-CB 3.41Å; G42-T46 PolarHBondContact O-N 3.16Å; G42-T46 PolarHBondContact O-OG1 2.9Å
43L64.3Low67.3Low87 Ų8761.5 Ų61.546%0.45533%0.331SS..Hα-helixtrans-66.4-35.9176.5-166.175.6000113.1D41 Y47 Y127 L128D41-L43 PolarHBondContact O-N 3.05Å; L43-Y47 WeakPolarHBondContact O-CB 3.38Å; L43-Y47 PolarHBondContact O-N 3.38Å; L43-Y127 HydrophobicContact CD2-CE1 4.11Å; L43-L128 HydrophobicContact CB-CD2 4.45Å; L43-L128 HydrophobicContact CD2-CD2 3.56Å; L43-L128 HydrophobicContact CG-CD2 3.85Å
44I72.1Confident68.5Low4 Ų459.2 Ų59.22%0.02132%0.316CS..Hα-helixtrans-68.8-47.8175.5-60.8150.1000109D41 G42 T46 Y47 S48 P88 L128 N132D41-I44 HydrophobicContact CB-CD1 4.32Å; D41-I44 WeakPolarHBondContact O-CA 3.05Å; D41-I44 VanDerWaalsContact O-CB 3.3Å; D41-I44 WeakPolarHBondContact O-CB 3.48Å; D41-I44 PolarHBondContact O-N 2.89Å; G42-I44 PolarHBondContact O-N 3.29Å; I44-T46 PolarHBondContact O-N 3.24Å; I44-Y47 PolarHBondContact O-N 3.16Å; I44-S48 WeakPolarHBondContact O-CB 3.41Å; I44-S48 PolarHBondContact O-N 3.36Å; I44-S48 PolarHBondContact O-OG 2.75Å; I44-S48 VanDerWaalsContact O-OG 3.06Å; I44-P88 HydrophobicContact CD1-CB 3.52Å; I44-P88 HydrophobicContact CD1-CG 3.62Å; I44-P88 HydrophobicContact CG1-CB 4.29Å; I44-P88 HydrophobicContact CG2-CB 4.14Å; I44-L128 HydrophobicContact CG1-CD2 4.39Å; I44-N132 VanDerWaalsContact CD1-OD1 3.25Å; I44-N132 WeakPolarHBondContact CD1-OD1 3.07Å
45Y74.4Confident69.3Low36 Ų3659.5 Ų59.514%0.14132%0.317CS..Hα-helixtrans-58.4-48176.1-82.9-87.4000111.7V12 L19 D41 G42 Y47 S48 C49V12-Y45 HydrophobicContact CB-CE1 4.48Å; V12-Y45 HydrophobicContact CG1-CD1 3.76Å; V12-Y45 HydrophobicContact CG1-CE1 3.25Å; L19-Y45 HydrophobicContact CD1-CD1 3.37Å; L19-Y45 HydrophobicContact CD1-CD2 4.24Å; L19-Y45 HydrophobicContact CD1-CE1 3.18Å; L19-Y45 HydrophobicContact CD1-CE2 4.15Å; L19-Y45 HydrophobicContact CD1-CG 3.91Å; D41-Y45 HydrophobicContact CB-CD2 3.55Å; D41-Y45 HydrophobicContact CB-CE2 3.51Å; D41-Y45 WeakPolarHBondContact O-CD2 3.3Å; D41-Y45 PolarHBondContact O-N 3.31Å; G42-Y45 PolarHBondContact O-N 3.31Å; Y45-Y47 PolarHBondContact O-N 3.13Å; Y45-S48 PolarHBondContact O-N 2.86Å; Y45-C49 VanDerWaalsContact O-CB 3.23Å; Y45-C49 WeakPolarHBondContact O-CB 3.46Å; Y45-C49 PolarHBondContact O-N 3.23Å; Y45-C49 PolarHBondContact O-SG 2.02Å
46T73.6Confident70.6Confident40 Ų4055.3 Ų55.325%0.24530%0.296CS..Hα-helixtrans-57.9-50.7175.9-61.10000111.5Y16 G42 I44 S48 C49 E50Y16-T46 WeakPolarHBondContact OH-CA 3.08Å; Y16-T46 PolarHBondContact OH-OG1 3.27Å; G42-T46 WeakPolarHBondContact O-CB 3.41Å; G42-T46 PolarHBondContact O-N 3.16Å; G42-T46 PolarHBondContact O-OG1 2.9Å; I44-T46 PolarHBondContact O-N 3.24Å; T46-S48 PolarHBondContact O-N 3.47Å; T46-C49 PolarHBondContact O-N 3.26Å; T46-E50 HydrophobicContact CG2-CG 4.23Å; T46-E50 WeakPolarHBondContact CG2-OE2 3.42Å; T46-E50 WeakPolarHBondContact O-CA 3.4Å; T46-E50 VanDerWaalsContact O-CB 3.23Å; T46-E50 WeakPolarHBondContact O-CB 3.47Å; T46-E50 PolarHBondContact O-N 3.44Å
47Y80.7Confident71.9Confident15 Ų1551.8 Ų51.86%0.05928%0.277CS..Iπ-helixtrans-61.1-43.5177.4176.3-102.2000112.9L43 I44 Y45 L51 L52 L92 A121 E124 T125 L128L43-Y47 WeakPolarHBondContact O-CB 3.38Å; L43-Y47 PolarHBondContact O-N 3.38Å; I44-Y47 PolarHBondContact O-N 3.16Å; Y45-Y47 PolarHBondContact O-N 3.13Å; Y47-L51 HydrophobicContact CD2-CB 4.26Å; Y47-L51 HydrophobicContact CD2-CD2 3.95Å; Y47-L51 HydrophobicContact CE2-CB 4.41Å; Y47-L51 HydrophobicContact CE2-CD2 3.37Å; Y47-L51 HydrophobicContact CE2-CG 4.49Å; Y47-L51 WeakPolarHBondContact O-CB 3.47Å; Y47-L51 PolarHBondContact O-N 2.94Å; Y47-L51 VanDerWaalsContact O-N 3.12Å; Y47-L52 HydrophobicContact CD1-CD1 3.91Å; Y47-L52 HydrophobicContact CD1-CG 3.96Å; Y47-L52 HydrophobicContact CE1-CD1 3.52Å; Y47-L52 HydrophobicContact CE1-CD2 3.84Å; Y47-L52 HydrophobicContact CE1-CG 3.52Å; Y47-L52 PolarHBondContact O-N 2.72Å; Y47-L92 HydrophobicContact CD1-CD2 3.98Å; Y47-L92 HydrophobicContact CE1-CD2 3.98Å; Y47-A121 PolarHBondContact OH-O 2.95Å; Y47-E124 HydrophobicContact CD2-CB 4.06Å; Y47-E124 HydrophobicContact CE2-CB 3.47Å; Y47-E124 VanDerWaalsContact CE2-CB 3.47Å; Y47-T125 HydrophobicContact CE1-CG2 4.13Å; Y47-T125 WeakPolarHBondContact OH-CB 3.37Å; Y47-T125 PolarHBondContact OH-N 2.95Å; Y47-T125 PolarHBondContact OH-OG1 3.35Å; Y47-L128 VanDerWaalsContact CB-CD1 3.49Å; Y47-L128 HydrophobicContact CD1-CD1 3.23Å; Y47-L128 HydrophobicContact CD2-CD1 3.76Å; Y47-L128 HydrophobicContact CE1-CD1 3.8Å; Y47-L128 HydrophobicContact CE2-CD1 4.27Å; Y47-L128 HydrophobicContact CG-CD1 3.19Å
48S79.9Confident73Confident4 Ų447.2 Ų47.23%0.02826%0.257CS..Iπ-helixtrans-64.9-39.9179-75.70000112.5I44 Y45 T46 L53I44-S48 WeakPolarHBondContact O-CB 3.41Å; I44-S48 PolarHBondContact O-N 3.36Å; I44-S48 PolarHBondContact O-OG 2.75Å; I44-S48 VanDerWaalsContact O-OG 3.06Å; Y45-S48 PolarHBondContact O-N 2.86Å; T46-S48 PolarHBondContact O-N 3.47Å; S48-L53 WeakPolarHBondContact O-CB 3.28Å; S48-L53 PolarHBondContact O-N 3.05Å
49C83Confident73.8Confident14 Ų1450.1 Ų50.110%0.09528%0.277CS..Iπ-helixtrans-97.4-26.5-171.8-56.80000114.2C13 Y16 Y45 T46 P54C13-C49 WeakPolarHBondContact CA-SG 3.42Å; C13-C49 HydrophobicContact CB-CB 3.78Å; C13-C49 WeakPolarHBondContact CB-SG 3.36Å; C13-C49 WeakPolarHBondContact SG-CA 3.35Å; C13-C49 WeakPolarHBondContact SG-CB 3.37Å; C13-C49 CovalentContact SG-SG 2.04Å; C13-C49 PolarHBondContact SG-SG 2.86Å; Y16-C49 HydrophobicContact CD1-CB 3.93Å; Y16-C49 HydrophobicContact CD2-CB 4.15Å; Y16-C49 HydrophobicContact CE1-CB 4.22Å; Y16-C49 HydrophobicContact CE2-CB 4.44Å; Y16-C49 HydrophobicContact CG-CB 3.9Å; Y45-C49 VanDerWaalsContact O-CB 3.23Å; Y45-C49 WeakPolarHBondContact O-CB 3.46Å; Y45-C49 PolarHBondContact O-N 3.23Å; Y45-C49 PolarHBondContact O-SG 2.02Å; T46-C49 PolarHBondContact O-N 3.26Å; C49-P54 WeakPolarHBondContact O-CD 3.13Å
50E81.1Confident74.3Confident100 Ų10051.1 Ų51.147%0.46728%0.277SS..Iπ-helixtrans-98.6-25.8178.3-59.1-175.2179.400113.6Y16 T46 P54Y16-E50 HydrophobicContact CE1-CG 4.09Å; Y16-E50 PolarHBondContact OH-OE1 3.39Å; T46-E50 HydrophobicContact CG2-CG 4.23Å; T46-E50 WeakPolarHBondContact CG2-OE2 3.42Å; T46-E50 WeakPolarHBondContact O-CA 3.4Å; T46-E50 VanDerWaalsContact O-CB 3.23Å; T46-E50 WeakPolarHBondContact O-CB 3.47Å; T46-E50 PolarHBondContact O-N 3.44Å; E50-P54 WeakPolarHBondContact O-CG 3.47Å
51L78.2Confident75Confident38 Ų3842.9 Ų42.920%0.19924%0.239CC..Iπ-helixtrans-111.4-60.1177.6-164.680000112.7Y47 L55 A121Y47-L51 HydrophobicContact CD2-CB 4.26Å; Y47-L51 HydrophobicContact CD2-CD2 3.95Å; Y47-L51 HydrophobicContact CE2-CB 4.41Å; Y47-L51 HydrophobicContact CE2-CD2 3.37Å; Y47-L51 HydrophobicContact CE2-CG 4.49Å; Y47-L51 WeakPolarHBondContact O-CB 3.47Å; Y47-L51 PolarHBondContact O-N 2.94Å; Y47-L51 VanDerWaalsContact O-N 3.12Å; L51-L55 HydrophobicContact CD1-CD1 4.43Å; L51-L55 HydrophobicContact CD2-CD1 4.45Å; L51-L55 HydrophobicContact CG-CD1 3.94Å; L51-L55 WeakPolarHBondContact O-CB 3.46Å; L51-L55 WeakPolarHBondContact O-CG 3.4Å; L51-L55 PolarHBondContact O-N 3.12Å; L51-L55 VanDerWaalsContact O-N 3.11Å; L51-A121 HydrophobicContact CD2-CB 3.88Å
52L81.1Confident75.2Confident3 Ų343.5 Ų43.52%0.01624%0.244CC..Iπ-helixtrans-66.6-45-173.4-66.9-177.4000112.7L9 Y47 L55 A56 A95 L99L9-L52 HydrophobicContact CD2-CB 4.41Å; Y47-L52 HydrophobicContact CD1-CD1 3.91Å; Y47-L52 HydrophobicContact CD1-CG 3.96Å; Y47-L52 HydrophobicContact CE1-CD1 3.52Å; Y47-L52 HydrophobicContact CE1-CD2 3.84Å; Y47-L52 HydrophobicContact CE1-CG 3.52Å; Y47-L52 PolarHBondContact O-N 2.72Å; L52-L55 PolarHBondContact O-N 3.11Å; L52-A56 VanDerWaalsContact O-CB 3.24Å; L52-A56 WeakPolarHBondContact O-CB 3.37Å; L52-A56 PolarHBondContact O-N 3.24Å; L52-A95 HydrophobicContact CD1-CB 3.55Å; L52-A95 HydrophobicContact CD2-CB 3.88Å; L52-A95 HydrophobicContact CG-CB 4.38Å; L52-L99 HydrophobicContact CD2-CD1 4.27Å
53L83.5Confident75.1Confident27 Ų2747.8 Ų47.814%0.14126%0.257CS..Hα-helixtrans-65.3-47.1-177.9178.262.6000112.2F6 L9 K10 C13 S48 L55 A56 D57F6-L53 HydrophobicContact CE2-CD1 4.14Å; L9-L53 HydrophobicContact CD2-CB 3.95Å; L9-L53 HydrophobicContact CD2-CD1 4.11Å; L9-L53 HydrophobicContact CG-CB 4.26Å; L9-L53 HydrophobicContact CG-CD1 4.34Å; K10-L53 HydrophobicContact CD-CD1 4.5Å; K10-L53 HydrophobicContact CG-CD1 3.65Å; C13-L53 HydrophobicContact CB-CD2 3.54Å; S48-L53 WeakPolarHBondContact O-CB 3.28Å; S48-L53 PolarHBondContact O-N 3.05Å; L53-L55 PolarHBondContact O-N 3.32Å; L53-A56 CarbonylContact O-C 3.53Å; L53-A56 PolarHBondContact O-N 3.26Å; L53-A56 VanDerWaalsContact O-N 3.14Å; L53-D57 HydrophobicContact CD1-CB 4.35Å; L53-D57 VanDerWaalsContact O-CB 3.32Å; L53-D57 WeakPolarHBondContact O-CB 3.36Å; L53-D57 PolarHBondContact O-N 2.8Å
54P80.1Confident75.1Confident68 Ų6844.1 Ų44.144%0.44224%0.238SC..Hα-helixtrans-62.2-40.2174.3-27.839000113C49 E50 A56 D57 D58C49-P54 WeakPolarHBondContact O-CD 3.13Å; E50-P54 WeakPolarHBondContact O-CG 3.47Å; P54-A56 VanDerWaalsContact C-N 3.25Å; P54-A56 PolarHBondContact O-N 3.23Å; P54-D57 PolarHBondContact O-N 3.5Å; P54-D58 VanDerWaalsContact O-CB 3.29Å; P54-D58 WeakPolarHBondContact O-CB 3.33Å; P54-D58 PolarHBondContact O-N 2.66Å
55L75.7Confident75Confident20 Ų2045.5 Ų45.511%0.10524%0.243CC..Hα-helixtrans-59.9-36.1173.5-75.8173.4000112.3L51 L52 L53 N61 W65 P113 I117 A121L51-L55 HydrophobicContact CD1-CD1 4.43Å; L51-L55 HydrophobicContact CD2-CD1 4.45Å; L51-L55 HydrophobicContact CG-CD1 3.94Å; L51-L55 WeakPolarHBondContact O-CB 3.46Å; L51-L55 WeakPolarHBondContact O-CG 3.4Å; L51-L55 PolarHBondContact O-N 3.12Å; L51-L55 VanDerWaalsContact O-N 3.11Å; L52-L55 PolarHBondContact O-N 3.11Å; L53-L55 PolarHBondContact O-N 3.32Å; L55-N61 WeakPolarHBondContact O-CB 3.35Å; L55-W65 VanDerWaalsContact C-NE1 3.33Å; L55-W65 HydrophobicContact CB-CZ2 4.14Å; L55-W65 PolarHBondContact O-NE1 3.36Å; L55-P113 HydrophobicContact CD2-CG 3.86Å; L55-I117 HydrophobicContact CD2-CG2 4.41Å; L55-A121 HydrophobicContact CD1-CB 4.3Å
56A77.6Confident74.8Confident7 Ų746.8 Ų46.86%0.05825%0.253CS..Hα-helixtrans-88.7-22.6-176.800000114.6F6 L52 L53 P54 V62 W65F6-A56 HydrophobicContact CD2-CB 4.1Å; F6-A56 HydrophobicContact CE2-CB 3.73Å; L52-A56 VanDerWaalsContact O-CB 3.24Å; L52-A56 WeakPolarHBondContact O-CB 3.37Å; L52-A56 PolarHBondContact O-N 3.24Å; L53-A56 CarbonylContact O-C 3.53Å; L53-A56 PolarHBondContact O-N 3.26Å; L53-A56 VanDerWaalsContact O-N 3.14Å; P54-A56 VanDerWaalsContact C-N 3.25Å; P54-A56 PolarHBondContact O-N 3.23Å; A56-V62 VanDerWaalsContact O-CG2 3.27Å; A56-V62 WeakPolarHBondContact O-CG2 3.33Å; A56-W65 HydrophobicContact CB-CD2 4.42Å
57D80.4Confident74.4Confident76 Ų7648.1 Ų48.141%0.40626%0.255SS..Hα-helixtrans-99-16.8-179.4-151.933.4000113.6F6 K10 L53 P54 P59F6-D57 HydrophobicContact CZ-CB 4.33Å; K10-D57 VanDerWaalsContact CE-OD1 3.32Å; K10-D57 WeakPolarHBondContact CE-OD1 3.44Å; K10-D57 WeakPolarHBondContact CE-OD2 3.31Å; K10-D57 IonicContact NZ-OD1 2.64Å; K10-D57 PolarHBondContact NZ-OD1 3.16Å; K10-D57 IonicContact NZ-OD2 3.01Å; K10-D57 PolarHBondContact NZ-OD2 2.88Å; L53-D57 HydrophobicContact CD1-CB 4.35Å; L53-D57 VanDerWaalsContact O-CB 3.32Å; L53-D57 WeakPolarHBondContact O-CB 3.36Å; L53-D57 PolarHBondContact O-N 2.8Å; P54-D57 PolarHBondContact O-N 3.5Å; D57-P59 WeakPolarHBondContact O-CD 3.41Å
58D74.4Confident73.7Confident63 Ų6347.8 Ų47.834%0.33725%0.254SS..  trans-58.9118.4172.5177-11.6000110.2P54 M60 N61 V62P54-D58 VanDerWaalsContact O-CB 3.29Å; P54-D58 WeakPolarHBondContact O-CB 3.33Å; P54-D58 PolarHBondContact O-N 2.66Å; D58-M60 PolarHBondContact O-N 3.02Å; D58-M60 WeakPolarHBondContact OD1-CB 3.38Å; D58-M60 WeakPolarHBondContact OD1-CG 3.14Å; D58-M60 PolarHBondContact OD1-N 3.41Å; D58-N61 HydrophobicContact CB-CB 4.2Å; D58-N61 CarbonylContact O-C 3.46Å; D58-N61 WeakPolarHBondContact O-CA 3.17Å; D58-N61 PolarHBondContact O-N 2.92Å; D58-N61 PolarHBondContact OD2-ND2 2.83Å; D58-V62 WeakPolarHBondContact O-CG2 3.05Å; D58-V62 PolarHBondContact O-N 3.44Å
59P71.7Confident72.9Confident111 Ų11153 Ų5372%0.72127%0.274SS*.Hα-helixtrans-60.4-21.1-177.325.2-35000114.2D57D57-P59 WeakPolarHBondContact O-CD 3.41Å
60M62.1Low71.9Confident117 Ų11760 Ų6058%0.57631%0.305SS*.Hα-helixtrans-74.7-28.1173.5-52.4-135.179.200112D58D58-M60 PolarHBondContact O-N 3.02Å; D58-M60 WeakPolarHBondContact OD1-CB 3.38Å; D58-M60 WeakPolarHBondContact OD1-CG 3.14Å; D58-M60 PolarHBondContact OD1-N 3.41Å
61N67.8Low71Confident8 Ų858.3 Ų58.34%0.04330%0.303CS..Hα-helixtrans-96.7-25.1179.4-65.2-43000113.3L55 D58 E63 C64 W65 P113L55-N61 WeakPolarHBondContact O-CB 3.35Å; D58-N61 HydrophobicContact CB-CB 4.2Å; D58-N61 CarbonylContact O-C 3.46Å; D58-N61 WeakPolarHBondContact O-CA 3.17Å; D58-N61 PolarHBondContact O-N 2.92Å; D58-N61 PolarHBondContact OD2-ND2 2.83Å; N61-E63 PolarHBondContact O-N 2.99Å; N61-C64 CarbonylContact O-C 3.52Å; N61-C64 WeakPolarHBondContact O-CA 3.38Å; N61-C64 WeakPolarHBondContact O-CB 3.37Å; N61-C64 PolarHBondContact O-N 3.31Å; N61-W65 PolarHBondContact O-N 3.24Å; N61-P113 WeakPolarHBondContact OD1-CD 3.31Å
62V70.1Confident70.1Confident48 Ų4859.5 Ų59.529%0.29131%0.31SS..Hα-helixtrans-52.5-38.1177.81630000112.1A56 D58 N66A56-V62 VanDerWaalsContact O-CG2 3.27Å; A56-V62 WeakPolarHBondContact O-CG2 3.33Å; D58-V62 WeakPolarHBondContact O-CG2 3.05Å; D58-V62 PolarHBondContact O-N 3.44Å; V62-N66 WeakPolarHBondContact CG1-ND2 3.25Å; V62-N66 VanDerWaalsContact O-CB 3.23Å; V62-N66 WeakPolarHBondContact O-CB 3.28Å; V62-N66 PolarHBondContact O-N 2.96Å; V62-N66 PolarHBondContact O-ND2 2.87Å
63E65.3Low68.7Low117 Ų11765.4 Ų65.455%0.54735%0.349SS..Hα-helixtrans-66.1-38.4174.9-164.8-175.6150.200111.9N61 K67N61-E63 PolarHBondContact O-N 2.99Å; E63-K67 WeakPolarHBondContact O-CG 3.37Å; E63-K67 PolarHBondContact O-N 3.1Å; E63-K67 VanDerWaalsContact OE1-CE 3.31Å; E63-K67 WeakPolarHBondContact OE1-CE 3.35Å; E63-K67 IonicContact OE1-NZ 3.68Å; E63-K67 PolarHBondContact OE1-NZ 3.39Å
64C64.8Low67Low10 Ų1069 Ų697%0.06838%0.375CS..Hα-helixtrans-67.9-49.8176.9-137.50000111.4N61 N66 K67 T68 C110N61-C64 CarbonylContact O-C 3.52Å; N61-C64 WeakPolarHBondContact O-CA 3.38Å; N61-C64 WeakPolarHBondContact O-CB 3.37Å; N61-C64 PolarHBondContact O-N 3.31Å; C64-N66 VanDerWaalsContact C-N 3.31Å; C64-N66 PolarHBondContact O-N 3.21Å; C64-K67 WeakPolarHBondContact O-CB 3.36Å; C64-K67 PolarHBondContact O-N 3.32Å; C64-T68 PolarHBondContact O-N 2.6Å; C64-C110 VanDerWaalsContact CA-SG 3.54Å; C64-C110 HydrophobicContact CB-CB 3.84Å; C64-C110 WeakPolarHBondContact CB-SG 3.48Å; C64-C110 WeakPolarHBondContact SG-CB 3.42Å; C64-C110 CovalentContact SG-SG 2.04Å; C64-C110 PolarHBondContact SG-SG 2.63Å
65W69Low65.4Low34 Ų3469.9 Ų69.913%0.12938%0.376CS..Hα-helixtrans-59.2-40.1174.9-76.999.5000112.3L55 A56 N61 K67 T68 R69 Q98 L99L55-W65 VanDerWaalsContact C-NE1 3.33Å; L55-W65 HydrophobicContact CB-CZ2 4.14Å; L55-W65 PolarHBondContact O-NE1 3.36Å; A56-W65 HydrophobicContact CB-CD2 4.42Å; N61-W65 PolarHBondContact O-N 3.24Å; W65-K67 VanDerWaalsContact C-N 3.33Å; W65-K67 PolarHBondContact O-N 3.04Å; W65-T68 PolarHBondContact O-N 3.42Å; W65-T68 PolarHBondContact O-OG1 3.38Å; W65-R69 PolarHBondContact O-N 3.06Å; W65-Q98 HydrophobicContact CE3-CB 3.86Å; W65-Q98 HydrophobicContact CE3-CG 4.29Å; W65-Q98 HydrophobicContact CH2-CB 4.36Å; W65-Q98 HydrophobicContact CZ3-CB 3.42Å; W65-Q98 VanDerWaalsContact CZ3-CB 3.42Å; W65-Q98 HydrophobicContact CZ3-CG 4.1Å; W65-L99 HydrophobicContact CH2-CD2 4Å; W65-L99 HydrophobicContact CH2-CG 4.09Å; W65-L99 HydrophobicContact CZ2-CD2 4.02Å
66N69.8Low64Low63 Ų6377.8 Ų77.834%0.33741%0.412SS..Hα-helixtrans-62.2-38174-79-41.2000112.3V62 C64 R69V62-N66 WeakPolarHBondContact CG1-ND2 3.25Å; V62-N66 VanDerWaalsContact O-CB 3.23Å; V62-N66 WeakPolarHBondContact O-CB 3.28Å; V62-N66 PolarHBondContact O-N 2.96Å; V62-N66 PolarHBondContact O-ND2 2.87Å; C64-N66 VanDerWaalsContact C-N 3.31Å; C64-N66 PolarHBondContact O-N 3.21Å; N66-R69 VanDerWaalsContact O-CB 3.25Å; N66-R69 WeakPolarHBondContact O-CB 3.35Å; N66-R69 WeakPolarHBondContact O-CG 3.26Å; N66-R69 PolarHBondContact O-N 3.17Å; N66-R69 PolarHBondContact OD1-NH1 3.25Å; N66-R69 PolarHBondContact OD1-NH2 2.98Å
67K66.5Low62.5Low68 Ų6879.3 Ų79.330%0.29642%0.419SS..Hα-helixtrans-68.7-34.9173.5-72.5171.7-172.4165.10112.5E63 C64 W65 R69 E70 V108E63-K67 WeakPolarHBondContact O-CG 3.37Å; E63-K67 PolarHBondContact O-N 3.1Å; E63-K67 VanDerWaalsContact OE1-CE 3.31Å; E63-K67 WeakPolarHBondContact OE1-CE 3.35Å; E63-K67 IonicContact OE1-NZ 3.68Å; E63-K67 PolarHBondContact OE1-NZ 3.39Å; C64-K67 WeakPolarHBondContact O-CB 3.36Å; C64-K67 PolarHBondContact O-N 3.32Å; W65-K67 VanDerWaalsContact C-N 3.33Å; W65-K67 PolarHBondContact O-N 3.04Å; K67-R69 PolarHBondContact O-N 2.83Å; K67-E70 WeakPolarHBondContact O-CB 3.42Å; K67-E70 PolarHBondContact O-N 3.05Å; K67-V108 HydrophobicContact CD-CG1 3.93Å; K67-V108 VanDerWaalsContact NZ-CG1 3.32Å
68T64.7Low60.5Low7 Ų781 Ų814%0.04343%0.434CS..Hα-helixtrans-63.3-12.4173.5670000114C64 W65 E70 C71 C101 A102C64-T68 PolarHBondContact O-N 2.6Å; W65-T68 PolarHBondContact O-N 3.42Å; W65-T68 PolarHBondContact O-OG1 3.38Å; T68-E70 VanDerWaalsContact C-N 3.27Å; T68-E70 PolarHBondContact O-N 3.04Å; T68-C71 WeakPolarHBondContact O-CB 3.36Å; T68-C71 PolarHBondContact O-N 3.33Å; T68-C71 PolarHBondContact O-SG 2.99Å; T68-C71 VanDerWaalsContact O-SG 3.36Å; T68-C101 HydrophobicContact CG2-CB 4.26Å; T68-A102 HydrophobicContact CG2-CB 4.07Å
69R63Low59Low114 Ų11481.9 Ų81.943%0.4344%0.438SS..G310 helixtrans-69.5-22.5170.6-61.4179.8171.3159.37.2113.4M1 W65 N66 K67 C71M1-R69 PolarHBondContact O-NE 3.21Å; M1-R69 VanDerWaalsContact O-NE 3.09Å; W65-R69 PolarHBondContact O-N 3.06Å; N66-R69 VanDerWaalsContact O-CB 3.25Å; N66-R69 WeakPolarHBondContact O-CB 3.35Å; N66-R69 WeakPolarHBondContact O-CG 3.26Å; N66-R69 PolarHBondContact O-N 3.17Å; N66-R69 PolarHBondContact OD1-NH1 3.25Å; N66-R69 PolarHBondContact OD1-NH2 2.98Å; K67-R69 PolarHBondContact O-N 2.83Å; R69-C71 PolarHBondContact O-N 3.05Å
70E62.4Low57.6Low162 Ų16280.5 Ų80.576%0.75743%0.425SS*.G310 helixtrans-76-11.9177.8-60.7-177175.700111.9K67 T68 D72K67-E70 WeakPolarHBondContact O-CB 3.42Å; K67-E70 PolarHBondContact O-N 3.05Å; T68-E70 VanDerWaalsContact C-N 3.27Å; T68-E70 PolarHBondContact O-N 3.04Å; E70-D72 VanDerWaalsContact C-N 3.34Å; E70-D72 PolarHBondContact O-N 2.75Å
71C63.6Low56.8Low64 Ų6480.7 Ų80.743%0.43244%0.435SS..G310 helixtrans-77.1-10-176.3-48.60000115.2T68 R69 C101T68-C71 WeakPolarHBondContact O-CB 3.36Å; T68-C71 PolarHBondContact O-N 3.33Å; T68-C71 PolarHBondContact O-SG 2.99Å; T68-C71 VanDerWaalsContact O-SG 3.36Å; R69-C71 PolarHBondContact O-N 3.05Å; C71-C101 HydrophobicContact CB-CB 3.75Å; C71-C101 WeakPolarHBondContact CB-SG 3.37Å; C71-C101 WeakPolarHBondContact SG-CB 3.47Å; C71-C101 CovalentContact SG-SG 2.03Å; C71-C101 PolarHBondContact SG-SG 3.35Å
72D58.5Low55.8Low62 Ų6287.4 Ų87.433%0.33247%0.471SS..  trans-15196.8174.3-174.95000112.2E70 S74 I75E70-D72 VanDerWaalsContact C-N 3.34Å; E70-D72 PolarHBondContact O-N 2.75Å; D72-S74 PolarHBondContact O-N 3.25Å; D72-S74 WeakPolarHBondContact OD1-CA 3.24Å; D72-S74 VanDerWaalsContact OD1-CB 3.23Å; D72-S74 WeakPolarHBondContact OD1-CB 3.12Å; D72-S74 PolarHBondContact OD1-N 2.91Å; D72-S74 PolarHBondContact OD1-OG 3.49Å; D72-I75 WeakPolarHBondContact OD2-CD1 3.39Å; D72-I75 WeakPolarHBondContact OD2-CG1 3.4Å
73P50.8Low54.4Low128 Ų12894.8 Ų94.883%0.83149%0.494SS*.SBendtrans-75.3-6.5173-15.731.4000114.4
74S48.3Very low53.2Low101 Ų10193.7 Ų93.771%0.70650%0.499SS*.SBendtrans-101.2-26.2-154-9.50000114.3D72D72-S74 PolarHBondContact O-N 3.25Å; D72-S74 WeakPolarHBondContact OD1-CA 3.24Å; D72-S74 VanDerWaalsContact OD1-CB 3.23Å; D72-S74 WeakPolarHBondContact OD1-CB 3.12Å; D72-S74 PolarHBondContact OD1-N 2.91Å; D72-S74 PolarHBondContact OD1-OG 3.49Å
75I47.1Very low52.4Low88 Ų8898.8 Ų98.845%0.45153%0.532SS..  trans-114.596.4-167.6-53.9-176.5000111.7D72 L77D72-I75 WeakPolarHBondContact OD2-CD1 3.39Å; D72-I75 WeakPolarHBondContact OD2-CG1 3.4Å; I75-L77 HydrophobicContact CG2-CG 4.3Å; I75-L77 PolarHBondContact O-N 3.38Å
76Q45.8Very low51.9Low185 Ų18599 Ų9986%0.86455%0.545SS*.  trans-74.9101.1151.2-67.9-176.115.500107.9P78Q76-P78 WeakPolarHBondContact O-CD 3.29Å
77L47.3Very low51.4Low40 Ų4099.2 Ų99.221%0.20954%0.543CS..  trans-54.4122.1164-87.3160000107.9I75 L79 E90I75-L77 HydrophobicContact CG2-CG 4.3Å; I75-L77 PolarHBondContact O-N 3.38Å; L77-L79 PolarHBondContact O-N 3.38Å; L77-E90 HydrophobicContact CD2-CG 4.28Å
78P38.2Very low51.7Low111 Ų11196.9 Ų96.972%0.72154%0.535SS*.  trans-76.678-175.231.1-34.9000110Q76 N80Q76-P78 WeakPolarHBondContact O-CD 3.29Å; P78-N80 PolarHBondContact O-N 3.02Å
79L42.2Very low52.5Low81 Ų8198 Ų9842%0.42454%0.542SS..  trans-57.194.8174.6-70.5171.8000109.6T4 L77 P81T4-L79 HydrophobicContact CG2-CD1 3.54Å; L77-L79 PolarHBondContact O-N 3.38Å; L79-P81 VanDerWaalsContact O-CD 3.24Å; L79-P81 WeakPolarHBondContact O-CD 3.34Å
80N41.6Very low53.1Low83 Ų8396.2 Ų96.244%0.44454%0.539SS..  trans-87105.8173.1-178.5-9.2000108.1P78 N82 R83P78-N80 PolarHBondContact O-N 3.02Å; N80-N82 PolarHBondContact O-N 2.8Å; N80-N82 PolarHBondContact OD1-N 3.39Å; N80-N82 VanDerWaalsContact OD1-N 3.13Å; N80-R83 PolarHBondContact O-N 2.85Å; N80-R83 VanDerWaalsContact O-N 3.15Å
81P45.3Very low53.8Low121 Ų12189 Ų8979%0.78651%0.505SS*.THydrogen-bonded Turntrans-65.4-4.9-175.328.7-36.7000113.9L79L79-P81 VanDerWaalsContact O-CD 3.24Å; L79-P81 WeakPolarHBondContact O-CD 3.34Å
82N47.8Very low54.8Low148 Ų14885.9 Ų85.979%0.79149%0.485SS*.THydrogen-bonded Turntrans-107.516.7179.1-62.2-36.9000113.7N80N80-N82 PolarHBondContact O-N 2.8Å; N80-N82 PolarHBondContact OD1-N 3.39Å; N80-N82 VanDerWaalsContact OD1-N 3.13Å
83R41Very low56Low203 Ų20383.5 Ų83.577%0.76647%0.472SS*.  trans-11398.4172.5-91.1-170.6172.9-176.3-2.1112.6N80N80-R83 PolarHBondContact O-N 2.85Å; N80-R83 VanDerWaalsContact O-N 3.15Å
84S39.4Very low57.5Low94 Ų9478 Ų7866%0.65744%0.436SS*.THydrogen-bonded Turntrans-84.3135.6138-174.30000106.6
85P48.9Very low59.2Low117 Ų11773.2 Ų73.276%0.7640%0.403SS*.THydrogen-bonded Turncis-134.769.725.838.1-16.7000113
86G57.4Low61.1Low39 Ų3969.2 Ų69.240%0.40238%0.382SS..  trans-102.45.9-178.400000115.3
87F60.5Low63Low67 Ų6762.7 Ų62.729%0.29435%0.35SS..Hα-helixtrans-62.9-38.2-155.2-178.8-105000116.8T8 V12 I91T8-F87 HydrophobicContact CG2-CE2 3.71Å; T8-F87 HydrophobicContact CG2-CZ 4.48Å; V12-F87 HydrophobicContact CB-CZ 3.85Å; V12-F87 HydrophobicContact CG1-CE1 3.67Å; V12-F87 HydrophobicContact CG1-CZ 3.44Å; V12-F87 VanDerWaalsContact CG1-CZ 3.44Å; V12-F87 HydrophobicContact CG2-CE1 4.09Å; V12-F87 HydrophobicContact CG2-CE2 3.57Å; V12-F87 HydrophobicContact CG2-CZ 3.19Å; F87-I91 HydrophobicContact CD2-CD1 4.33Å; F87-I91 HydrophobicContact CE1-CD1 4.2Å; F87-I91 HydrophobicContact CE2-CD1 3.48Å; F87-I91 VanDerWaalsContact CE2-CD1 3.48Å; F87-I91 HydrophobicContact CZ-CD1 3.34Å
88P72.2Confident64.5Low20 Ų2061.4 Ų61.413%0.1334%0.343CS..Hα-helixtrans-70.3-45.5-177.1-25.137000115I44 I91 L92I44-P88 HydrophobicContact CD1-CB 3.52Å; I44-P88 HydrophobicContact CD1-CG 3.62Å; I44-P88 HydrophobicContact CG1-CB 4.29Å; I44-P88 HydrophobicContact CG2-CB 4.14Å; P88-I91 PolarHBondContact O-N 3.25Å; P88-L92 HydrophobicContact CB-CD1 4.38Å; P88-L92 VanDerWaalsContact O-CG 3.28Å; P88-L92 WeakPolarHBondContact O-CG 3.4Å; P88-L92 PolarHBondContact O-N 2.93Å
89C80.1Confident66.7Low30 Ų3056.3 Ų56.320%0.20331%0.309CS..Hα-helixtrans-72.8-38.4-161.7-71.50000113.6I91 L92 L93 C134C89-I91 VanDerWaalsContact C-N 3.33Å; C89-I91 PolarHBondContact O-N 3.32Å; C89-L92 PolarHBondContact O-N 3.03Å; C89-L93 VanDerWaalsContact O-CB 3.31Å; C89-L93 WeakPolarHBondContact O-CB 3.5Å; C89-L93 WeakPolarHBondContact O-CD1 3.31Å; C89-L93 VanDerWaalsContact O-CG 3.22Å; C89-L93 WeakPolarHBondContact O-CG 3.42Å; C89-L93 PolarHBondContact O-N 3.29Å; C89-C134 VanDerWaalsContact CA-SG 3.51Å; C89-C134 HydrophobicContact CB-CB 3.71Å; C89-C134 WeakPolarHBondContact CB-SG 3.27Å; C89-C134 WeakPolarHBondContact SG-CA 3.25Å; C89-C134 WeakPolarHBondContact SG-CB 3.24Å; C89-C134 CovalentContact SG-SG 2.04Å; C89-C134 PolarHBondContact SG-SG 2.83Å
90E75.6Confident68.7Low76 Ų7656.8 Ų56.836%0.35531%0.308SS..Hα-helixtrans-63.1-40.5178.1-64.5-177.1-177.900111.5L77 S94L77-E90 HydrophobicContact CD2-CG 4.28Å; E90-S94 VanDerWaalsContact O-CB 3.22Å; E90-S94 WeakPolarHBondContact O-CB 3.22Å; E90-S94 PolarHBondContact O-N 2.77Å
91I77.8Confident70.5Confident10 Ų1054 Ų545%0.05130%0.295CS..Hα-helixtrans-67.3-46.8177-68.8177.6000110.9M1 T8 F87 P88 C89 S94 A95M1-I91 HydrophobicContact CE-CG2 3.91Å; T8-I91 HydrophobicContact CG2-CD1 4.28Å; F87-I91 HydrophobicContact CD2-CD1 4.33Å; F87-I91 HydrophobicContact CE1-CD1 4.2Å; F87-I91 HydrophobicContact CE2-CD1 3.48Å; F87-I91 VanDerWaalsContact CE2-CD1 3.48Å; F87-I91 HydrophobicContact CZ-CD1 3.34Å; P88-I91 PolarHBondContact O-N 3.25Å; C89-I91 VanDerWaalsContact C-N 3.33Å; C89-I91 PolarHBondContact O-N 3.32Å; I91-S94 PolarHBondContact O-N 3.4Å; I91-A95 VanDerWaalsContact O-CB 3.32Å; I91-A95 WeakPolarHBondContact O-CB 3.06Å; I91-A95 PolarHBondContact O-N 3.22Å
92L84.3Confident71.9Confident0 Ų048.7 Ų48.70%026%0.261CS..Hα-helixtrans-64-43.5179.8-69.6170.3000112Y47 P88 C89 A95 Y96 T125 L128 I129Y47-L92 HydrophobicContact CD1-CD2 3.98Å; Y47-L92 HydrophobicContact CE1-CD2 3.98Å; P88-L92 HydrophobicContact CB-CD1 4.38Å; P88-L92 VanDerWaalsContact O-CG 3.28Å; P88-L92 WeakPolarHBondContact O-CG 3.4Å; P88-L92 PolarHBondContact O-N 2.93Å; C89-L92 PolarHBondContact O-N 3.03Å; L92-A95 PolarHBondContact O-N 2.84Å; L92-Y96 WeakPolarHBondContact O-CB 3.35Å; L92-Y96 PolarHBondContact O-N 2.94Å; L92-T125 HydrophobicContact CB-CG2 4.21Å; L92-T125 HydrophobicContact CD2-CG2 3.99Å; L92-T125 WeakPolarHBondContact O-CG2 3.36Å; L92-L128 HydrophobicContact CD1-CB 3.77Å; L92-L128 HydrophobicContact CD2-CB 3.74Å; L92-L128 HydrophobicContact CD2-CD1 3.86Å; L92-L128 HydrophobicContact CD2-CG 4.45Å; L92-L128 HydrophobicContact CG-CB 4.4Å; L92-I129 HydrophobicContact CB-CD1 4.46Å; L92-I129 HydrophobicContact CB-CG1 3.76Å
93L84.8Confident73.3Confident11 Ų1143.7 Ų43.76%0.05824%0.236CC..Hα-helixtrans-64.9-43176.1-70.6164.8000111.7C89 Y96 R97 I129 D138 L142C89-L93 VanDerWaalsContact O-CB 3.31Å; C89-L93 WeakPolarHBondContact O-CB 3.5Å; C89-L93 WeakPolarHBondContact O-CD1 3.31Å; C89-L93 VanDerWaalsContact O-CG 3.22Å; C89-L93 WeakPolarHBondContact O-CG 3.42Å; C89-L93 PolarHBondContact O-N 3.29Å; L93-Y96 PolarHBondContact O-N 3.33Å; L93-R97 WeakPolarHBondContact O-CG 3.5Å; L93-R97 PolarHBondContact O-N 3.13Å; L93-I129 HydrophobicContact CD2-CD1 4.11Å; L93-I129 HydrophobicContact CD2-CG2 4.37Å; L93-D138 HydrophobicContact CD1-CB 3.55Å; L93-D138 HydrophobicContact CD2-CB 4.05Å; L93-D138 HydrophobicContact CG-CB 4.45Å; L93-L142 HydrophobicContact CD2-CD1 3.92Å; L93-L142 HydrophobicContact CD2-CD2 4.3Å
94S81.5Confident74.9Confident13 Ų1338.1 Ų38.19%0.09123%0.233CC..Hα-helixtrans-61.4-43.6174.4-179.20000111.7M1 E5 E90 I91 Q98M1-S94 PolarHBondContact N-OG 3.21Å; E5-S94 PolarHBondContact OE2-OG 3.06Å; E90-S94 VanDerWaalsContact O-CB 3.22Å; E90-S94 WeakPolarHBondContact O-CB 3.22Å; E90-S94 PolarHBondContact O-N 2.77Å; I91-S94 PolarHBondContact O-N 3.4Å; S94-Q98 WeakPolarHBondContact O-CG 3.44Å; S94-Q98 PolarHBondContact O-N 3.33Å; S94-Q98 PolarHBondContact O-NE2 3.25Å; S94-Q98 PolarHBondContact OG-NE2 3.42Å
95A84.2Confident76.3Confident1 Ų135.3 Ų35.31%0.00821%0.213CC..Hα-helixtrans-62.7-47.6176.300000111.8L52 I91 L92 R97 Q98 L99 T125L52-A95 HydrophobicContact CD1-CB 3.55Å; L52-A95 HydrophobicContact CD2-CB 3.88Å; L52-A95 HydrophobicContact CG-CB 4.38Å; I91-A95 VanDerWaalsContact O-CB 3.32Å; I91-A95 WeakPolarHBondContact O-CB 3.06Å; I91-A95 PolarHBondContact O-N 3.22Å; L92-A95 PolarHBondContact O-N 2.84Å; A95-R97 PolarHBondContact O-N 2.8Å; A95-Q98 PolarHBondContact O-N 3.23Å; A95-L99 WeakPolarHBondContact O-CB 3.24Å; A95-L99 VanDerWaalsContact O-CG 3.29Å; A95-L99 WeakPolarHBondContact O-CG 3.31Å; A95-L99 PolarHBondContact O-N 2.81Å; A95-T125 HydrophobicContact CB-CG2 4.14Å
96Y87.7Confident77.1Confident4 Ų433.4 Ų33.42%0.01620%0.197CC..Hα-helixtrans-58.6-47.8178.5172.4-96.4000112.4L92 L93 Q98 L99 K100 I122 L126 I129 L142L92-Y96 WeakPolarHBondContact O-CB 3.35Å; L92-Y96 PolarHBondContact O-N 2.94Å; L93-Y96 PolarHBondContact O-N 3.33Å; Y96-Q98 VanDerWaalsContact C-N 3.34Å; Y96-Q98 PolarHBondContact O-N 3Å; Y96-L99 PolarHBondContact O-N 2.68Å; Y96-K100 HydrophobicContact CD1-CG 4.45Å; Y96-K100 HydrophobicContact CD2-CG 4.44Å; Y96-K100 HydrophobicContact CE1-CG 4.01Å; Y96-K100 HydrophobicContact CE2-CG 3.98Å; Y96-K100 WeakPolarHBondContact O-CB 3.25Å; Y96-K100 WeakPolarHBondContact O-CG 3.33Å; Y96-K100 PolarHBondContact O-N 2.85Å; Y96-K100 WeakPolarHBondContact OH-CE 3.4Å; Y96-I122 HydrophobicContact CD2-CG2 4.08Å; Y96-I122 HydrophobicContact CE2-CG2 3.76Å; Y96-L126 HydrophobicContact CD2-CD2 3.84Å; Y96-L126 HydrophobicContact CD2-CG 3.79Å; Y96-L126 HydrophobicContact CE2-CD1 3.8Å; Y96-L126 HydrophobicContact CE2-CD2 3.38Å; Y96-L126 HydrophobicContact CE2-CG 3.44Å; Y96-L126 VanDerWaalsContact CE2-CG 3.44Å; Y96-I129 HydrophobicContact CG-CD1 4.16Å; Y96-L142 HydrophobicContact CD1-CD1 3.86Å; Y96-L142 HydrophobicContact CD1-CD2 3.88Å; Y96-L142 HydrophobicContact CD1-CG 3.99Å; Y96-L142 HydrophobicContact CE1-CD1 3.81Å; Y96-L142 HydrophobicContact CE1-CD2 3.65Å; Y96-L142 HydrophobicContact CE1-CG 3.52Å
97R84.2Confident77.2Confident48 Ų4839.6 Ų39.618%0.18122%0.221CC..Hα-helixtrans-59-43178.4-74.5-178.3-176.7144.814.7112.1L93 A95 K100 C101 D138L93-R97 WeakPolarHBondContact O-CG 3.5Å; L93-R97 PolarHBondContact O-N 3.13Å; A95-R97 PolarHBondContact O-N 2.8Å; R97-K100 PolarHBondContact O-N 3.47Å; R97-C101 PolarHBondContact O-N 3.41Å; R97-D138 IonicContact CZ-OD1 3.59Å; R97-D138 IonicContact NH2-OD1 2.83Å; R97-D138 PolarHBondContact NH2-OD1 2.74Å
98Q80.2Confident76.8Confident13 Ų1339.2 Ų39.26%0.06122%0.223CC..Hα-helixtrans-71.1-42.9179-71.7167.2111.300113M1 W65 S94 A95 Y96 K100 C101 A102M1-Q98 VanDerWaalsContact CB-OE1 3.29Å; W65-Q98 HydrophobicContact CE3-CB 3.86Å; W65-Q98 HydrophobicContact CE3-CG 4.29Å; W65-Q98 HydrophobicContact CH2-CB 4.36Å; W65-Q98 HydrophobicContact CZ3-CB 3.42Å; W65-Q98 VanDerWaalsContact CZ3-CB 3.42Å; W65-Q98 HydrophobicContact CZ3-CG 4.1Å; S94-Q98 WeakPolarHBondContact O-CG 3.44Å; S94-Q98 PolarHBondContact O-N 3.33Å; S94-Q98 PolarHBondContact O-NE2 3.25Å; S94-Q98 PolarHBondContact OG-NE2 3.42Å; A95-Q98 PolarHBondContact O-N 3.23Å; Y96-Q98 VanDerWaalsContact C-N 3.34Å; Y96-Q98 PolarHBondContact O-N 3Å; Q98-K100 VanDerWaalsContact C-N 3.27Å; Q98-K100 PolarHBondContact O-N 2.8Å; Q98-C101 CarbonylContact O-C 3.46Å; Q98-C101 PolarHBondContact O-N 3.02Å; Q98-C101 VanDerWaalsContact O-N 3.11Å; Q98-A102 PolarHBondContact O-N 2.86Å
99L84.2Confident76Confident3 Ų348.1 Ų48.12%0.01626%0.26CS..Hα-helixtrans-61.2-39.9175.3-69.5166.6000110.7L52 W65 A95 Y96 A102 V103 I118 A121 I122 T125L52-L99 HydrophobicContact CD2-CD1 4.27Å; W65-L99 HydrophobicContact CH2-CD2 4Å; W65-L99 HydrophobicContact CH2-CG 4.09Å; W65-L99 HydrophobicContact CZ2-CD2 4.02Å; A95-L99 WeakPolarHBondContact O-CB 3.24Å; A95-L99 VanDerWaalsContact O-CG 3.29Å; A95-L99 WeakPolarHBondContact O-CG 3.31Å; A95-L99 PolarHBondContact O-N 2.81Å; Y96-L99 PolarHBondContact O-N 2.68Å; L99-A102 PolarHBondContact O-N 3.22Å; L99-V103 PolarHBondContact O-N 2.9Å; L99-V103 VanDerWaalsContact O-N 3.16Å; L99-I118 HydrophobicContact CB-CG2 4.37Å; L99-I118 HydrophobicContact CD2-CG2 4.21Å; L99-A121 HydrophobicContact CD1-CB 3.76Å; L99-A121 HydrophobicContact CD2-CB 3.93Å; L99-A121 HydrophobicContact CG-CB 4.49Å; L99-I122 HydrophobicContact CB-CD1 4.23Å; L99-I122 HydrophobicContact CB-CG1 3.53Å; L99-I122 HydrophobicContact CD1-CG1 4.46Å; L99-T125 WeakPolarHBondContact CD1-OG1 3.38Å
100K83.3Confident74.7Confident91 Ų9147.9 Ų47.940%0.39626%0.258SS..Hα-helixtrans-60.3-45.1170.3-82.7-73.1-170.61730112.5Y96 R97 Q98 A102 V103 A104 I122Y96-K100 HydrophobicContact CD1-CG 4.45Å; Y96-K100 HydrophobicContact CD2-CG 4.44Å; Y96-K100 HydrophobicContact CE1-CG 4.01Å; Y96-K100 HydrophobicContact CE2-CG 3.98Å; Y96-K100 WeakPolarHBondContact O-CB 3.25Å; Y96-K100 WeakPolarHBondContact O-CG 3.33Å; Y96-K100 PolarHBondContact O-N 2.85Å; Y96-K100 WeakPolarHBondContact OH-CE 3.4Å; R97-K100 PolarHBondContact O-N 3.47Å; Q98-K100 VanDerWaalsContact C-N 3.27Å; Q98-K100 PolarHBondContact O-N 2.8Å; K100-A102 VanDerWaalsContact C-N 3.33Å; K100-A102 PolarHBondContact O-N 3Å; K100-V103 PolarHBondContact O-N 3.43Å; K100-A104 PolarHBondContact O-N 3.44Å; K100-I122 HydrophobicContact CD-CD1 4.27Å; K100-I122 HydrophobicContact CG-CD1 4.43Å
101C79.2Confident73.6Confident25 Ų2548.6 Ų48.617%0.16927%0.268CS..Hα-helixtrans-67.6-32.9177-158.50000112.7T68 C71 R97 Q98 V103 A104 S105T68-C101 HydrophobicContact CG2-CB 4.26Å; C71-C101 HydrophobicContact CB-CB 3.75Å; C71-C101 WeakPolarHBondContact CB-SG 3.37Å; C71-C101 WeakPolarHBondContact SG-CB 3.47Å; C71-C101 CovalentContact SG-SG 2.03Å; C71-C101 PolarHBondContact SG-SG 3.35Å; R97-C101 PolarHBondContact O-N 3.41Å; Q98-C101 CarbonylContact O-C 3.46Å; Q98-C101 PolarHBondContact O-N 3.02Å; Q98-C101 VanDerWaalsContact O-N 3.11Å; C101-V103 VanDerWaalsContact C-N 3.32Å; C101-V103 PolarHBondContact O-N 3.24Å; C101-A104 CarbonylContact O-C 3.11Å; C101-A104 PolarHBondContact O-N 3.34Å; C101-A104 VanDerWaalsContact O-N 3.11Å; C101-S105 WeakPolarHBondContact O-CB 3.38Å; C101-S105 PolarHBondContact O-N 3.48Å; C101-S105 PolarHBondContact O-OG 3.3Å
102A76.3Confident72.3Confident10 Ų1050 Ų508%0.08328%0.276CS..Hα-helixtrans-62-3817400000112.1T68 Q98 L99 K100 I118T68-A102 HydrophobicContact CG2-CB 4.07Å; Q98-A102 PolarHBondContact O-N 2.86Å; L99-A102 PolarHBondContact O-N 3.22Å; K100-A102 VanDerWaalsContact C-N 3.33Å; K100-A102 PolarHBondContact O-N 3Å; A102-I118 HydrophobicContact CB-CD1 3.81Å
103V77.3Confident70.9Confident42 Ų4251.4 Ų51.426%0.25529%0.285SS..Hα-helixtrans-66.4-41.4170179.50000111.4L99 K100 C101 S105 L106 I118 I122L99-V103 PolarHBondContact O-N 2.9Å; L99-V103 VanDerWaalsContact O-N 3.16Å; K100-V103 PolarHBondContact O-N 3.43Å; C101-V103 VanDerWaalsContact C-N 3.32Å; C101-V103 PolarHBondContact O-N 3.24Å; V103-S105 VanDerWaalsContact C-N 3.26Å; V103-S105 PolarHBondContact O-N 2.75Å; V103-L106 HydrophobicContact CG1-CD1 4.27Å; V103-L106 VanDerWaalsContact O-CD1 3.23Å; V103-L106 WeakPolarHBondContact O-CD1 3.47Å; V103-L106 VanDerWaalsContact O-CG 3.27Å; V103-L106 WeakPolarHBondContact O-CG 3.31Å; V103-I118 HydrophobicContact CG2-CB 4.43Å; V103-I118 HydrophobicContact CG2-CG2 3.5Å; V103-I118 VanDerWaalsContact CG2-CG2 3.5Å; V103-I122 HydrophobicContact CG2-CD1 3.67Å
104A74Confident69.9Low87 Ų8755.1 Ų55.172%0.71930%0.304SS*.Hα-helixtrans-69.4-20.7179.700000114K100 C101K100-A104 PolarHBondContact O-N 3.44Å; C101-A104 CarbonylContact O-C 3.11Å; C101-A104 PolarHBondContact O-N 3.34Å; C101-A104 VanDerWaalsContact O-N 3.11Å
105S68.5Low69.3Low34 Ų3458.5 Ų58.524%0.23832%0.319CS..THydrogen-bonded Turntrans-107.223-175.755.10000114.3C101 V103 D107 V108C101-S105 WeakPolarHBondContact O-CB 3.38Å; C101-S105 PolarHBondContact O-N 3.48Å; C101-S105 PolarHBondContact O-OG 3.3Å; V103-S105 VanDerWaalsContact C-N 3.26Å; V103-S105 PolarHBondContact O-N 2.75Å; S105-D107 PolarHBondContact O-N 2.88Å; S105-V108 PolarHBondContact O-N 3.13Å; S105-V108 VanDerWaalsContact O-N 3.17Å
106L65.7Low68.4Low77 Ų7761.9 Ų61.940%0.40333%0.334SS..THydrogen-bonded Turntrans-56.2-10.9179.5-83.6166.7000115.9V103 V108 I112 E115V103-L106 HydrophobicContact CG1-CD1 4.27Å; V103-L106 VanDerWaalsContact O-CD1 3.23Å; V103-L106 WeakPolarHBondContact O-CD1 3.47Å; V103-L106 VanDerWaalsContact O-CG 3.27Å; V103-L106 WeakPolarHBondContact O-CG 3.31Å; L106-V108 PolarHBondContact O-N 3.28Å; L106-I112 HydrophobicContact CD2-CD1 3.39Å; L106-E115 HydrophobicContact CD1-CG 4.2Å
107D60.2Low67.5Low170 Ų17064.1 Ų64.191%0.90935%0.346SS*.THydrogen-bonded Turntrans-76.3-4176.4-159.626000113.5S105S105-D107 PolarHBondContact O-N 2.88Å
108V52.4Low67.1Low58 Ų5862.5 Ų62.535%0.35234%0.341SS..SBendtrans-98.6142.2178.8-175.10000110.9K67 S105 L106 C110K67-V108 HydrophobicContact CD-CG1 3.93Å; K67-V108 VanDerWaalsContact NZ-CG1 3.32Å; S105-V108 PolarHBondContact O-N 3.13Å; S105-V108 VanDerWaalsContact O-N 3.17Å; L106-V108 PolarHBondContact O-N 3.28Å; V108-C110 PolarHBondContact O-N 2.93Å
109K55.3Low66.9Low208 Ų20869 Ų6990%0.90437%0.365SS*.  trans-6545.4175.3-64.5-177.4175.6179.10115.2
110C52.6Low66.3Low24 Ų2473 Ų7316%0.16238%0.38CS..  trans-65.8137.9160-60.80000108.1C64 V108 I112C64-C110 VanDerWaalsContact CA-SG 3.54Å; C64-C110 HydrophobicContact CB-CB 3.84Å; C64-C110 WeakPolarHBondContact CB-SG 3.48Å; C64-C110 WeakPolarHBondContact SG-CB 3.42Å; C64-C110 CovalentContact SG-SG 2.04Å; C64-C110 PolarHBondContact SG-SG 2.63Å; V108-C110 PolarHBondContact O-N 2.93Å; C110-I112 HydrophobicContact CB-CD1 4.1Å; C110-I112 HydrophobicContact CB-CG1 3.34Å; C110-I112 PolarHBondContact O-N 3.23Å
111T52.1Low66.1Low91 Ų9168.8 Ų68.856%0.55836%0.361SS*.  trans-84.558.3169.432.30000108.4
112I50.4Low66.3Low41 Ų4168.3 Ų68.321%0.2136%0.357CS..  trans-59138.3-165.7-40.6175.3000109.3L106 C110 D114 I118L106-I112 HydrophobicContact CD2-CD1 3.39Å; C110-I112 HydrophobicContact CB-CD1 4.1Å; C110-I112 HydrophobicContact CB-CG1 3.34Å; C110-I112 PolarHBondContact O-N 3.23Å; I112-D114 PolarHBondContact O-N 2.84Å; I112-I118 HydrophobicContact CG2-CD1 3.32Å; I112-I118 HydrophobicContact CG2-CG1 3.99Å
113P55.6Low66.4Low29 Ų2969.3 Ų69.319%0.18837%0.368CS..SBendtrans-49.3137.415423.3-34.1000108.8L55 N61 I117L55-P113 HydrophobicContact CD2-CG 3.86Å; N61-P113 WeakPolarHBondContact OD1-CD 3.31Å; P113-I117 HydrophobicContact CB-CB 4.01Å; P113-I117 HydrophobicContact CB-CD1 3.63Å; P113-I117 HydrophobicContact CB-CG1 4.39Å; P113-I117 HydrophobicContact CB-CG2 3.92Å; P113-I117 HydrophobicContact CG-CG2 4.34Å
114D63.7Low66.5Low88 Ų8869.3 Ų69.347%0.47137%0.365SS..  trans-33.8142-171.7-62.9-55.9000113.2I112 E116 I117I112-D114 PolarHBondContact O-N 2.84Å; D114-E116 HydrophobicContact CB-CB 4.41Å; D114-E116 CarbonylContact O-C 3.54Å; D114-E116 PolarHBondContact O-N 2.96Å; D114-I117 HydrophobicContact CB-CD1 4.38Å; D114-I117 HydrophobicContact CB-CG1 4.41Å; D114-I117 WeakPolarHBondContact O-CA 3.27Å; D114-I117 WeakPolarHBondContact O-CB 3.32Å; D114-I117 PolarHBondContact O-N 3.42Å
115E67.5Low67Low84 Ų8465.1 Ų65.139%0.39333%0.331SS..Hα-helixtrans-48.3-32.4-180-164.5-162.9164.400112.8L106 I117 I118 R119L106-E115 HydrophobicContact CD1-CG 4.2Å; E115-I117 PolarHBondContact O-N 3.32Å; E115-I118 PolarHBondContact O-N 2.83Å; E115-R119 WeakPolarHBondContact O-CB 3.11Å; E115-R119 VanDerWaalsContact O-CG 3.27Å; E115-R119 WeakPolarHBondContact O-CG 3.28Å; E115-R119 PolarHBondContact O-N 3.31Å; E115-R119 IonicContact OE1-CZ 3.15Å; E115-R119 IonicContact OE1-NE 2.73Å; E115-R119 PolarHBondContact OE1-NE 3.04Å; E115-R119 IonicContact OE1-NH2 2.73Å; E115-R119 PolarHBondContact OE1-NH2 2.92Å; E115-R119 IonicContact OE2-NH2 2.75Å
116E65.7Low67.8Low73 Ų7366 Ų6634%0.34133%0.333SS..Hα-helixtrans-55.9-41170.4-174172.7-138.600114.5D114 R119 R120 Y523D114-E116 HydrophobicContact CB-CB 4.41Å; D114-E116 CarbonylContact O-C 3.54Å; D114-E116 PolarHBondContact O-N 2.96Å; E116-R119 PolarHBondContact O-N 3.06Å; E116-R120 WeakPolarHBondContact O-CB 3.35Å; E116-R120 PolarHBondContact O-N 3.47Å; E116-Y523 WeakPolarHBondContact OE1-CE2 3.49Å
117I69.5Low68.4Low50 Ų5066.2 Ų66.226%0.25633%0.329SS..Hα-helixtrans-66.6-44.1177.2-64171.7000110.8L55 P113 D114 E115 R120 A121L55-I117 HydrophobicContact CD2-CG2 4.41Å; P113-I117 HydrophobicContact CB-CB 4.01Å; P113-I117 HydrophobicContact CB-CD1 3.63Å; P113-I117 HydrophobicContact CB-CG1 4.39Å; P113-I117 HydrophobicContact CB-CG2 3.92Å; P113-I117 HydrophobicContact CG-CG2 4.34Å; D114-I117 HydrophobicContact CB-CD1 4.38Å; D114-I117 HydrophobicContact CB-CG1 4.41Å; D114-I117 WeakPolarHBondContact O-CA 3.27Å; D114-I117 WeakPolarHBondContact O-CB 3.32Å; D114-I117 PolarHBondContact O-N 3.42Å; E115-I117 PolarHBondContact O-N 3.32Å; I117-R120 PolarHBondContact O-N 3.06Å; I117-A121 WeakPolarHBondContact O-CB 3.36Å; I117-A121 PolarHBondContact O-N 3.38Å
118I75.9Confident69.5Low14 Ų1458.4 Ų58.47%0.07229%0.287CS..Hα-helixtrans-66.4-45.1174.9-63.6-165.3000110.5L99 A102 V103 I112 E115 R120 A121 I122L99-I118 HydrophobicContact CB-CG2 4.37Å; L99-I118 HydrophobicContact CD2-CG2 4.21Å; A102-I118 HydrophobicContact CB-CD1 3.81Å; V103-I118 HydrophobicContact CG2-CB 4.43Å; V103-I118 HydrophobicContact CG2-CG2 3.5Å; V103-I118 VanDerWaalsContact CG2-CG2 3.5Å; I112-I118 HydrophobicContact CG2-CD1 3.32Å; I112-I118 HydrophobicContact CG2-CG1 3.99Å; E115-I118 PolarHBondContact O-N 2.83Å; I118-R120 VanDerWaalsContact C-N 3.29Å; I118-R120 PolarHBondContact O-N 3.46Å; I118-A121 PolarHBondContact O-N 3.11Å; I118-I122 HydrophobicContact CG2-CD1 4.05Å; I118-I122 HydrophobicContact CG2-CG1 4.43Å; I118-I122 VanDerWaalsContact O-CG1 3.31Å; I118-I122 WeakPolarHBondContact O-CG1 3.06Å; I118-I122 PolarHBondContact O-N 3.4Å
119R75.1Confident70.9Confident150 Ų15055.8 Ų55.857%0.56627%0.271SS*.Hα-helixtrans-58.6-39.7175.4-72.8174.6176.2-1563.3112.1E115 E116 G123E115-R119 WeakPolarHBondContact O-CB 3.11Å; E115-R119 VanDerWaalsContact O-CG 3.27Å; E115-R119 WeakPolarHBondContact O-CG 3.28Å; E115-R119 PolarHBondContact O-N 3.31Å; E115-R119 IonicContact OE1-CZ 3.15Å; E115-R119 IonicContact OE1-NE 2.73Å; E115-R119 PolarHBondContact OE1-NE 3.04Å; E115-R119 IonicContact OE1-NH2 2.73Å; E115-R119 PolarHBondContact OE1-NH2 2.92Å; E115-R119 IonicContact OE2-NH2 2.75Å; E116-R119 PolarHBondContact O-N 3.06Å; R119-G123 PolarHBondContact O-N 3.35Å; R119-G123 VanDerWaalsContact O-N 3.1Å
120R72.3Confident71.8Confident88 Ų8849.6 Ų49.633%0.33225%0.254SS..Hα-helixtrans-64.3-48.6173.6178.9177.4176.1156.76.7111.2E116 I117 I118 I122 G123 E124 N519E116-R120 WeakPolarHBondContact O-CB 3.35Å; E116-R120 PolarHBondContact O-N 3.47Å; I117-R120 PolarHBondContact O-N 3.06Å; I118-R120 VanDerWaalsContact C-N 3.29Å; I118-R120 PolarHBondContact O-N 3.46Å; R120-I122 VanDerWaalsContact C-N 3.29Å; R120-I122 PolarHBondContact O-N 3.12Å; R120-G123 PolarHBondContact O-N 3.43Å; R120-G123 VanDerWaalsContact O-N 3.09Å; R120-E124 IonicContact CZ-OE1 3.46Å; R120-E124 IonicContact NE-OE1 2.63Å; R120-E124 PolarHBondContact NE-OE1 2.75Å; R120-E124 IonicContact NH2-OE1 2.69Å; R120-E124 PolarHBondContact NH2-OE1 3.24Å; R120-E124 PolarHBondContact O-N 3.49Å; R120-N519 PolarHBondContact NH1-ND2 3.08Å; R120-N519 PolarHBondContact NH2-OD1 3.37Å
121A78.4Confident73Confident1 Ų153.2 Ų53.21%0.00827%0.268CS..Hα-helixtrans-57-43.6178.100000111.2Y47 L51 L55 L99 I117 I118 E124 T125Y47-A121 PolarHBondContact OH-O 2.95Å; L51-A121 HydrophobicContact CD2-CB 3.88Å; L55-A121 HydrophobicContact CD1-CB 4.3Å; L99-A121 HydrophobicContact CD1-CB 3.76Å; L99-A121 HydrophobicContact CD2-CB 3.93Å; L99-A121 HydrophobicContact CG-CB 4.49Å; I117-A121 WeakPolarHBondContact O-CB 3.36Å; I117-A121 PolarHBondContact O-N 3.38Å; I118-A121 PolarHBondContact O-N 3.11Å; A121-E124 PolarHBondContact O-N 3.21Å; A121-T125 PolarHBondContact O-N 2.88Å; A121-T125 PolarHBondContact O-OG1 3.06Å
122I84.6Confident74.1Confident15 Ų1551.3 Ų51.38%0.07726%0.255CS..Hα-helixtrans-58-47.1173.7-68.4169.5000111.6Y96 L99 K100 V103 I118 R120 E124 T125 L126Y96-I122 HydrophobicContact CD2-CG2 4.08Å; Y96-I122 HydrophobicContact CE2-CG2 3.76Å; L99-I122 HydrophobicContact CB-CD1 4.23Å; L99-I122 HydrophobicContact CB-CG1 3.53Å; L99-I122 HydrophobicContact CD1-CG1 4.46Å; K100-I122 HydrophobicContact CD-CD1 4.27Å; K100-I122 HydrophobicContact CG-CD1 4.43Å; V103-I122 HydrophobicContact CG2-CD1 3.67Å; I118-I122 HydrophobicContact CG2-CD1 4.05Å; I118-I122 HydrophobicContact CG2-CG1 4.43Å; I118-I122 VanDerWaalsContact O-CG1 3.31Å; I118-I122 WeakPolarHBondContact O-CG1 3.06Å; I118-I122 PolarHBondContact O-N 3.4Å; R120-I122 VanDerWaalsContact C-N 3.29Å; R120-I122 PolarHBondContact O-N 3.12Å; I122-E124 VanDerWaalsContact C-N 3.35Å; I122-T125 PolarHBondContact O-N 3.31Å; I122-L126 HydrophobicContact CG2-CD1 4.17Å; I122-L126 WeakPolarHBondContact O-CB 3.35Å; I122-L126 WeakPolarHBondContact O-CG 3.47Å; I122-L126 PolarHBondContact O-N 2.92Å
123G78.5Confident75.5Confident31 Ų3156.7 Ų56.732%0.3228%0.279SS..Hα-helixtrans-62-41.9178.900000112.5R119 R120 L126 Y127R119-G123 PolarHBondContact O-N 3.35Å; R119-G123 VanDerWaalsContact O-N 3.1Å; R120-G123 PolarHBondContact O-N 3.43Å; R120-G123 VanDerWaalsContact O-N 3.09Å; G123-L126 PolarHBondContact O-N 2.86Å; G123-Y127 PolarHBondContact O-N 3.38Å
124E79.6Confident76.7Confident42 Ų4255.5 Ų55.520%0.19627%0.272CS..Hα-helixtrans-69-37.3175.3-70.1179-172.200111.9Y47 R120 A121 I122 Y127 L128Y47-E124 HydrophobicContact CD2-CB 4.06Å; Y47-E124 HydrophobicContact CE2-CB 3.47Å; Y47-E124 VanDerWaalsContact CE2-CB 3.47Å; R120-E124 IonicContact CZ-OE1 3.46Å; R120-E124 IonicContact NE-OE1 2.63Å; R120-E124 PolarHBondContact NE-OE1 2.75Å; R120-E124 IonicContact NH2-OE1 2.69Å; R120-E124 PolarHBondContact NH2-OE1 3.24Å; R120-E124 PolarHBondContact O-N 3.49Å; A121-E124 PolarHBondContact O-N 3.21Å; I122-E124 VanDerWaalsContact C-N 3.35Å; E124-Y127 PolarHBondContact O-N 3.14Å; E124-L128 WeakPolarHBondContact O-CG 3.22Å; E124-L128 PolarHBondContact O-N 3.22Å; E124-L128 VanDerWaalsContact O-N 3.09Å
125T84.3Confident76.6Confident0 Ų056.6 Ų56.60%028%0.281CS..Hα-helixtrans-63.6-45.6172.6-22.10000111.3Y47 L92 A95 L99 A121 I122 Y127 L128 I129Y47-T125 HydrophobicContact CE1-CG2 4.13Å; Y47-T125 WeakPolarHBondContact OH-CB 3.37Å; Y47-T125 PolarHBondContact OH-N 2.95Å; Y47-T125 PolarHBondContact OH-OG1 3.35Å; L92-T125 HydrophobicContact CB-CG2 4.21Å; L92-T125 HydrophobicContact CD2-CG2 3.99Å; L92-T125 WeakPolarHBondContact O-CG2 3.36Å; A95-T125 HydrophobicContact CB-CG2 4.14Å; L99-T125 WeakPolarHBondContact CD1-OG1 3.38Å; A121-T125 PolarHBondContact O-N 2.88Å; A121-T125 PolarHBondContact O-OG1 3.06Å; I122-T125 PolarHBondContact O-N 3.31Å; T125-Y127 VanDerWaalsContact C-N 3.31Å; T125-Y127 PolarHBondContact O-N 3.35Å; T125-L128 PolarHBondContact O-N 3.46Å; T125-L128 VanDerWaalsContact O-N 3.16Å; T125-I129 HydrophobicContact CG2-CD1 4.12Å; T125-I129 VanDerWaalsContact O-CG1 3.25Å; T125-I129 WeakPolarHBondContact O-CG1 3.35Å; T125-I129 PolarHBondContact O-N 2.93Å
126L84.6Confident75.8Confident52 Ų5255.9 Ų55.927%0.27229%0.286SS..Hα-helixtrans-60-42178.8-80.5174000111.8Y96 I122 G123 L128 I129 S130 L142 M146Y96-L126 HydrophobicContact CD2-CD2 3.84Å; Y96-L126 HydrophobicContact CD2-CG 3.79Å; Y96-L126 HydrophobicContact CE2-CD1 3.8Å; Y96-L126 HydrophobicContact CE2-CD2 3.38Å; Y96-L126 HydrophobicContact CE2-CG 3.44Å; Y96-L126 VanDerWaalsContact CE2-CG 3.44Å; I122-L126 HydrophobicContact CG2-CD1 4.17Å; I122-L126 WeakPolarHBondContact O-CB 3.35Å; I122-L126 WeakPolarHBondContact O-CG 3.47Å; I122-L126 PolarHBondContact O-N 2.92Å; G123-L126 PolarHBondContact O-N 2.86Å; L126-L128 VanDerWaalsContact C-N 3.34Å; L126-L128 PolarHBondContact O-N 3.23Å; L126-I129 PolarHBondContact O-N 3.45Å; L126-S130 WeakPolarHBondContact O-CB 3.18Å; L126-S130 PolarHBondContact O-N 2.05Å; L126-L142 HydrophobicContact CD2-CD2 4.23Å; L126-M146 HydrophobicContact CD1-CE 4.07Å; L126-M146 HydrophobicContact CD2-CE 3.64Å
127Y77.9Confident75.2Confident82 Ų8257.2 Ų57.232%0.32230%0.299SS..Hα-helixtrans-58.7-46.5174.5176.7-113.5000111.4L43 G123 E124 T125 S130 E131 R505L43-Y127 HydrophobicContact CD2-CE1 4.11Å; G123-Y127 PolarHBondContact O-N 3.38Å; E124-Y127 PolarHBondContact O-N 3.14Å; T125-Y127 VanDerWaalsContact C-N 3.31Å; T125-Y127 PolarHBondContact O-N 3.35Å; Y127-S130 PolarHBondContact O-N 2.86Å; Y127-E131 WeakPolarHBondContact O-CB 3.25Å; Y127-E131 PolarHBondContact O-N 2.85Å; Y127-E131 PolarHBondContact OH-OE1 3.45Å; Y127-E131 PolarHBondContact OH-OE2 3.22Å; Y127-R505 PolarHBondContact OH-NH1 3.12Å; Y127-R505 PolarHBondContact OH-NH2 3.42Å
128L82.6Confident74.4Confident5 Ų557.3 Ų57.33%0.02630%0.3CS..Hα-helixtrans-67.8-37.8178.8-68.9166.5000113.4L43 I44 Y47 L92 E124 T125 L126 S130 N132L43-L128 HydrophobicContact CB-CD2 4.45Å; L43-L128 HydrophobicContact CD2-CD2 3.56Å; L43-L128 HydrophobicContact CG-CD2 3.85Å; I44-L128 HydrophobicContact CG1-CD2 4.39Å; Y47-L128 VanDerWaalsContact CB-CD1 3.49Å; Y47-L128 HydrophobicContact CD1-CD1 3.23Å; Y47-L128 HydrophobicContact CD2-CD1 3.76Å; Y47-L128 HydrophobicContact CE1-CD1 3.8Å; Y47-L128 HydrophobicContact CE2-CD1 4.27Å; Y47-L128 HydrophobicContact CG-CD1 3.19Å; L92-L128 HydrophobicContact CD1-CB 3.77Å; L92-L128 HydrophobicContact CD2-CB 3.74Å; L92-L128 HydrophobicContact CD2-CD1 3.86Å; L92-L128 HydrophobicContact CD2-CG 4.45Å; L92-L128 HydrophobicContact CG-CB 4.4Å; E124-L128 WeakPolarHBondContact O-CG 3.22Å; E124-L128 PolarHBondContact O-N 3.22Å; E124-L128 VanDerWaalsContact O-N 3.09Å; T125-L128 PolarHBondContact O-N 3.46Å; T125-L128 VanDerWaalsContact O-N 3.16Å; L126-L128 VanDerWaalsContact C-N 3.34Å; L126-L128 PolarHBondContact O-N 3.23Å; L128-S130 VanDerWaalsContact C-N 3.29Å; L128-S130 PolarHBondContact O-N 2.99Å; L128-N132 WeakPolarHBondContact O-CB 3.07Å; L128-N132 PolarHBondContact O-N 3.17Å; L128-N132 VanDerWaalsContact O-N 3.11Å; L128-N132 PolarHBondContact O-ND2 2.91Å
129I83.2Confident73.1Confident4 Ų460.5 Ų60.52%0.02132%0.315CS..Hα-helixtrans-60.8-41.5173.7-70.5165.2000110.3L92 L93 Y96 T125 L126 C134 L142L92-I129 HydrophobicContact CB-CD1 4.46Å; L92-I129 HydrophobicContact CB-CG1 3.76Å; L93-I129 HydrophobicContact CD2-CD1 4.11Å; L93-I129 HydrophobicContact CD2-CG2 4.37Å; Y96-I129 HydrophobicContact CG-CD1 4.16Å; T125-I129 HydrophobicContact CG2-CD1 4.12Å; T125-I129 VanDerWaalsContact O-CG1 3.25Å; T125-I129 WeakPolarHBondContact O-CG1 3.35Å; T125-I129 PolarHBondContact O-N 2.93Å; L126-I129 PolarHBondContact O-N 3.45Å; I129-C134 HydrophobicContact CG2-CB 4.07Å; I129-C134 PolarHBondContact O-N 2.87Å; I129-L142 HydrophobicContact CD1-CD2 4.43Å
130S74.5Confident71.7Confident78 Ų7860.1 Ų60.155%0.54532%0.32SS..Hα-helixtrans-69.5-49177.8-173.50000112.4L126 Y127 L128 N132 Q133L126-S130 WeakPolarHBondContact O-CB 3.18Å; L126-S130 PolarHBondContact O-N 2.05Å; Y127-S130 PolarHBondContact O-N 2.86Å; L128-S130 VanDerWaalsContact C-N 3.29Å; L128-S130 PolarHBondContact O-N 2.99Å; S130-N132 VanDerWaalsContact C-N 3.34Å; S130-N132 PolarHBondContact O-N 3.35Å; S130-Q133 PolarHBondContact O-N 3.31Å
131E76.2Confident70.8Confident99 Ų9960.2 Ų60.246%0.46333%0.327SS..Hα-helixtrans-64-39-175.5-161.585.8147.100111.6Y127 Q133 R505Y127-E131 WeakPolarHBondContact O-CB 3.25Å; Y127-E131 PolarHBondContact O-N 2.85Å; Y127-E131 PolarHBondContact OH-OE1 3.45Å; Y127-E131 PolarHBondContact OH-OE2 3.22Å; E131-Q133 PolarHBondContact O-N 3.42Å; E131-R505 IonicContact OE1-NH1 3.17Å
132N76.1Confident69.5Low52 Ų5260.5 Ų60.528%0.27833%0.328SS..THydrogen-bonded Turntrans-849.4179.2-66.4-73.9000113.9I44 L128 S130 C134I44-N132 VanDerWaalsContact CD1-OD1 3.25Å; I44-N132 WeakPolarHBondContact CD1-OD1 3.07Å; L128-N132 WeakPolarHBondContact O-CB 3.07Å; L128-N132 PolarHBondContact O-N 3.17Å; L128-N132 VanDerWaalsContact O-N 3.11Å; L128-N132 PolarHBondContact O-ND2 2.91Å; S130-N132 VanDerWaalsContact C-N 3.34Å; S130-N132 PolarHBondContact O-N 3.35Å; N132-C134 PolarHBondContact O-N 2.92Å
133Q79.9Confident67.7Low153 Ų15362.4 Ų62.472%0.71535%0.346SS*.THydrogen-bonded Turntrans50.640.4177.3-54.3-17819.100113.4S130 E131 T135S130-Q133 PolarHBondContact O-N 3.31Å; E131-Q133 PolarHBondContact O-N 3.42Å; Q133-T135 WeakPolarHBondContact O-CA 3.37Å; Q133-T135 VanDerWaalsContact O-CG2 3.23Å; Q133-T135 WeakPolarHBondContact O-CG2 2.9Å; Q133-T135 PolarHBondContact O-N 3.26Å
134C80.4Confident66.2Low5 Ų564.8 Ų64.83%0.03435%0.354CS..  trans-59.4107.5-177.6-63.70000110.5C89 I129 N132 Q139C89-C134 VanDerWaalsContact CA-SG 3.51Å; C89-C134 HydrophobicContact CB-CB 3.71Å; C89-C134 WeakPolarHBondContact CB-SG 3.27Å; C89-C134 WeakPolarHBondContact SG-CA 3.25Å; C89-C134 WeakPolarHBondContact SG-CB 3.24Å; C89-C134 CovalentContact SG-SG 2.04Å; C89-C134 PolarHBondContact SG-SG 2.83Å; I129-C134 HydrophobicContact CG2-CB 4.07Å; I129-C134 PolarHBondContact O-N 2.87Å; N132-C134 PolarHBondContact O-N 2.92Å; C134-Q139 WeakPolarHBondContact O-CG 3.36Å; C134-Q139 PolarHBondContact O-NE2 2.97Å; C134-Q139 PolarHBondContact O-OE1 3.43Å
135T61.6Low64.6Low110 Ų11067.3 Ų67.368%0.67537%0.366SS*.  trans-81.4124.5-150.333.80000115.5Q133 T137Q133-T135 WeakPolarHBondContact O-CA 3.37Å; Q133-T135 VanDerWaalsContact O-CG2 3.23Å; Q133-T135 WeakPolarHBondContact O-CG2 2.9Å; Q133-T135 PolarHBondContact O-N 3.26Å; T135-T137 VanDerWaalsContact C-N 3.32Å; T135-T137 PolarHBondContact O-N 3.35Å
136S50.2Low62.7Low69 Ų6972.2 Ų72.248%0.48339%0.39SS..THydrogen-bonded Turntrans48.4-59154.763.10000119.8D138 Q139 E140S136-D138 PolarHBondContact O-N 2.91Å; S136-Q139 PolarHBondContact O-N 2.95Å; S136-E140 PolarHBondContact O-N 3.26Å
137T54Low60.7Low102 Ų10275.6 Ų75.663%0.62641%0.405SS*.Hα-helixtrans-68.4-37.4-169.5-24.20000112.3T135 N141T135-T137 VanDerWaalsContact C-N 3.32Å; T135-T137 PolarHBondContact O-N 3.35Å; T137-N141 PolarHBondContact O-ND2 3.39Å
138D53Low58.8Low51 Ų5181 Ų8127%0.27343%0.425SS..Hα-helixtrans-85.8-23.9171.6-75.2-75.5000112.6L93 R97 S136 L142L93-D138 HydrophobicContact CD1-CB 3.55Å; L93-D138 HydrophobicContact CD2-CB 4.05Å; L93-D138 HydrophobicContact CG-CB 4.45Å; R97-D138 IonicContact CZ-OD1 3.59Å; R97-D138 IonicContact NH2-OD1 2.83Å; R97-D138 PolarHBondContact NH2-OD1 2.74Å; S136-D138 PolarHBondContact O-N 2.91Å; D138-L142 WeakPolarHBondContact O-CB 3Å; D138-L142 PolarHBondContact O-N 2.99Å
139Q48.1Very low56.5Low81 Ų8184 Ų8438%0.37946%0.457SS..Hα-helixtrans-72.2-36.6176.5-84.6-176.9-25.500113.2C134 S136 N141 L142 A143C134-Q139 WeakPolarHBondContact O-CG 3.36Å; C134-Q139 PolarHBondContact O-NE2 2.97Å; C134-Q139 PolarHBondContact O-OE1 3.43Å; S136-Q139 PolarHBondContact O-N 2.95Å; Q139-N141 VanDerWaalsContact C-N 3.32Å; Q139-L142 PolarHBondContact O-N 3.1Å; Q139-A143 VanDerWaalsContact O-CB 3.27Å; Q139-A143 WeakPolarHBondContact O-CB 3.28Å; Q139-A143 PolarHBondContact O-N 2.83Å
140E46Very low54.1Low143 Ų14390.3 Ų90.367%0.66849%0.491SS*.Hα-helixtrans-64.9-38.5173-74.7-175138.400111S136 T144S136-E140 PolarHBondContact O-N 3.26Å; E140-T144 WeakPolarHBondContact O-CB 3.49Å; E140-T144 PolarHBondContact O-N 2.73Å; E140-T144 VanDerWaalsContact O-N 3.11Å; E140-T144 PolarHBondContact O-OG1 3Å
141N52.3Low52.2Low90 Ų9096.6 Ų96.648%0.48151%0.508SS..Hα-helixtrans-67.2-44.5172.2-68.4-29.8000111.4T137 Q139 A143 T144 E145T137-N141 PolarHBondContact O-ND2 3.39Å; Q139-N141 VanDerWaalsContact C-N 3.32Å; N141-A143 VanDerWaalsContact C-N 3.35Å; N141-A143 PolarHBondContact O-N 3.03Å; N141-T144 CarbonylContact O-C 3.57Å; N141-T144 WeakPolarHBondContact O-CB 3.38Å; N141-T144 PolarHBondContact O-N 2.91Å; N141-T144 VanDerWaalsContact O-N 3.09Å; N141-E145 WeakPolarHBondContact O-CG 3.3Å; N141-E145 PolarHBondContact O-N 3.42Å
142L51.4Low50.2Low7 Ų796.9 Ų96.94%0.03752%0.522CS..Hα-helixtrans-60-41.5175.6-121.574.4000112.7L93 Y96 L126 I129 D138 Q139 T144 E145 M146L93-L142 HydrophobicContact CD2-CD1 3.92Å; L93-L142 HydrophobicContact CD2-CD2 4.3Å; Y96-L142 HydrophobicContact CD1-CD1 3.86Å; Y96-L142 HydrophobicContact CD1-CD2 3.88Å; Y96-L142 HydrophobicContact CD1-CG 3.99Å; Y96-L142 HydrophobicContact CE1-CD1 3.81Å; Y96-L142 HydrophobicContact CE1-CD2 3.65Å; Y96-L142 HydrophobicContact CE1-CG 3.52Å; L126-L142 HydrophobicContact CD2-CD2 4.23Å; I129-L142 HydrophobicContact CD1-CD2 4.43Å; D138-L142 WeakPolarHBondContact O-CB 3Å; D138-L142 PolarHBondContact O-N 2.99Å; Q139-L142 PolarHBondContact O-N 3.1Å; L142-T144 PolarHBondContact O-N 2.98Å; L142-E145 PolarHBondContact O-N 2.7Å; L142-M146 WeakPolarHBondContact O-CB 3.28Å; L142-M146 VanDerWaalsContact O-CG 3.29Å; L142-M146 WeakPolarHBondContact O-CG 3.28Å; L142-M146 PolarHBondContact O-N 2.93Å
143A46.4Very low48.1Very low54 Ų54101.6 Ų101.645%0.44655%0.547SS..Hα-helixtrans-67.3-27.9177.300000112.1Q139 N141Q139-A143 VanDerWaalsContact O-CB 3.27Å; Q139-A143 WeakPolarHBondContact O-CB 3.28Å; Q139-A143 PolarHBondContact O-N 2.83Å; N141-A143 VanDerWaalsContact C-N 3.35Å; N141-A143 PolarHBondContact O-N 3.03Å
144T47.3Very low45.8Very low81 Ų8199.8 Ų99.850%0.49755%0.551SS.*Hα-helixtrans-79.9-40.6173.8-51.20000111.2E140 N141 L142 M146 Q147E140-T144 WeakPolarHBondContact O-CB 3.49Å; E140-T144 PolarHBondContact O-N 2.73Å; E140-T144 VanDerWaalsContact O-N 3.11Å; E140-T144 PolarHBondContact O-OG1 3Å; N141-T144 CarbonylContact O-C 3.57Å; N141-T144 WeakPolarHBondContact O-CB 3.38Å; N141-T144 PolarHBondContact O-N 2.91Å; N141-T144 VanDerWaalsContact O-N 3.09Å; L142-T144 PolarHBondContact O-N 2.98Å; T144-M146 VanDerWaalsContact C-N 3.33Å; T144-M146 PolarHBondContact O-N 2.73Å; T144-Q147 WeakPolarHBondContact O-CB 3.32Å; T144-Q147 PolarHBondContact O-N 2.73Å
145E47Very low43.8Very low96 Ų96108.9 Ų108.945%0.44959%0.59SS.*Hα-helixtrans-65.4-32.1173.8-74.2178.4159.200112.7N141 L142 Q147 W148N141-E145 WeakPolarHBondContact O-CG 3.3Å; N141-E145 PolarHBondContact O-N 3.42Å; L142-E145 PolarHBondContact O-N 2.7Å; E145-Q147 PolarHBondContact O-N 3.44Å; E145-W148 PolarHBondContact O-N 3.05Å
146M44Very low42.6Very low103 Ų103111.8 Ų111.851%0.50760%0.599SS.*THydrogen-bonded Turntrans-58.8-15.2173.3-83.1-177.2177.100113.5L126 L142 T144L126-M146 HydrophobicContact CD1-CE 4.07Å; L126-M146 HydrophobicContact CD2-CE 3.64Å; L142-M146 WeakPolarHBondContact O-CB 3.28Å; L142-M146 VanDerWaalsContact O-CG 3.29Å; L142-M146 WeakPolarHBondContact O-CG 3.28Å; L142-M146 PolarHBondContact O-N 2.93Å; T144-M146 VanDerWaalsContact C-N 3.33Å; T144-M146 PolarHBondContact O-N 2.73Å
147Q43.5Very low41.6Very low123 Ų123113.8 Ų113.858%0.57561%0.613SS**THydrogen-bonded Turntrans-89.4-6.2-179.2-60.1-172.3-17.300115.1T144 E145T144-Q147 WeakPolarHBondContact O-CB 3.32Å; T144-Q147 PolarHBondContact O-N 2.73Å; E145-Q147 PolarHBondContact O-N 3.44Å
148W36.7Very low40.6Very low195 Ų195117 Ų11774%0.73962%0.621SS**  trans-112.5-0-167.4-79.384.9000116.8E145 N150E145-W148 PolarHBondContact O-N 3.05Å; W148-N150 PolarHBondContact O-N 3.37Å
149G34.2Very low39.6Very low68 Ų68121.8 Ų121.870%0.70164%0.644SS**  trans-9064.1-172.200000116.2
150N32.5Very low38.9Very low137 Ų137123.9 Ų123.973%0.73366%0.662SS**  trans-169.375.1161.8-101.7-14000112.7W148W148-N150 PolarHBondContact O-N 3.37Å
151F36.2Very low38.1Very low209 Ų209124.6 Ų124.692%0.91767%0.671SS**  trans-146.299.1163.3-92.7-77.7000110.4
152S33.2Very low37.2Very low106 Ų106129.2 Ų129.274%0.74169%0.689SS**  trans-101.5108.7163.755.80000108.9
153D32.8Very low36.5Very low151 Ų151135.3 Ų135.381%0.80772%0.718SS**SBendtrans169.4127.6130.2-85.4-9.8000111.9K155D153-K155 PolarHBondContact O-N 3.39Å
154S31.3Very low35.7Very low114 Ų114140.1 Ų140.180%0.79774%0.735SS**SBendtrans-12107.3172.359.80000118.7
155K37.9Very low34.8Very low197 Ų197142.9 Ų142.986%0.85775%0.752SS**  trans-173.6-12.1142.5-113.5163.9-173.6173.30119.7D153 S157D153-K155 PolarHBondContact O-N 3.39Å; K155-S157 PolarHBondContact O-N 2.98Å
156I37.4Very low33.9Very low171 Ų171144.4 Ų144.488%0.87777%0.768SS**  trans-85.284.5-168.6-50.2178.3000111.3
157S29.8Very low33.3Very low111 Ų111143 Ų14378%0.77677%0.773SS**  trans-111.99.8171.873.30000114.1K155K155-S157 PolarHBondContact O-N 2.98Å
158E33Very low32.9Very low169 Ų169140.9 Ų140.979%0.7977%0.765SS**  trans-147.498-179-67.1-174.9169.900110.5
159M30.5Very low33.3Very low151 Ų151135.2 Ų135.274%0.74475%0.753SS**  trans-174.1134.2146.5-104.1168.975.500110.5Q163M159-Q163 VanDerWaalsContact CE-OE1 3.24Å
160T33.3Very low33.7Very low126 Ų126137.2 Ų137.277%0.77375%0.752SS**  trans-102.2163-170.9470000113.4E162T160-E162 PolarHBondContact O-N 3.45Å
161D30.7Very low34.2Very low157 Ų157134.5 Ų134.584%0.8474%0.741SS**SBendtrans-52.314.7-164.6-72.1-51.4000121.1
162E33.1Very low34.7Very low187 Ų187127.7 Ų127.787%0.87472%0.717SS**SBendtrans-10819.9-164.8-124.7175.4178.700116.4T160T160-E162 PolarHBondContact O-N 3.45Å
163Q36.4Very low35.1Very low136 Ų136123.6 Ų123.664%0.63669%0.688SS**  trans-124-1.7-175.6-65.2-162.5-500117.8M159 T165M159-Q163 VanDerWaalsContact CE-OE1 3.24Å; Q163-T165 VanDerWaalsContact C-N 3.34Å; Q163-T165 PolarHBondContact O-N 3.41Å
164L28.8Very low35.7Very low154 Ų154122 Ų12281%0.80667%0.674SS**THydrogen-bonded Turntrans-80.651-167.5-81.4114.1000116.8
165T28.6Very low36.5Very low140 Ų140122.4 Ų122.486%0.85966%0.664SS**THydrogen-bonded Turntrans-14012.2171.950.90000116.2Q163Q163-T165 VanDerWaalsContact C-N 3.34Å; Q163-T165 PolarHBondContact O-N 3.41Å
166T28.7Very low36.6Very low128 Ų128115.9 Ų115.979%0.78564%0.638SS**SBendtrans-133.4162.8-171.5-2.80000115.3
167A30.4Very low37Very low74 Ų74109.7 Ų109.761%0.61261%0.608SS**SBendtrans-58.9171-170.300000116P223A167-P223 HydrophobicContact CB-CG 4.48Å
168L35.4Very low37.6Very low78 Ų78110.7 Ų110.741%0.40860%0.6SS.*SBendtrans-26.9124.6179.9-156.6110.5000113.1V170 P223L168-V170 PolarHBondContact O-N 2.92Å; L168-P223 HydrophobicContact CB-CB 3.51Å; L168-P223 HydrophobicContact CB-CG 4.48Å; L168-P223 HydrophobicContact CD1-CB 4.26Å; L168-P223 HydrophobicContact CG-CB 4.37Å
169P45.1Very low37.9Very low75 Ų75109.3 Ų109.349%0.48759%0.593SS.*  trans-56.1122.9-161.9-27.734.5000113.4P171 V172P169-P171 WeakPolarHBondContact O-CD 3.48Å; P169-V172 PolarHBondContact O-N 3.42Å
170V41.9Very low38.4Very low111 Ų111107.8 Ų107.867%0.67359%0.588SS**Hα-helixtrans-45.8-34.4173.9177.50000113.7L168 V172 K174L168-V170 PolarHBondContact O-N 2.92Å; V170-V172 PolarHBondContact O-N 3.1Å; V170-K174 WeakPolarHBondContact O-CB 3.42Å; V170-K174 PolarHBondContact O-N 3.35Å; V170-K174 VanDerWaalsContact O-N 3.09Å
171P44.4Very low38.7Very low79 Ų79105.7 Ų105.751%0.51358%0.577SS.*Hα-helixtrans-52.8-43.7171.8-30.637.9000115.3P169 K174 E175P169-P171 WeakPolarHBondContact O-CD 3.48Å; P171-K174 CarbonylContact O-C 3.57Å; P171-K174 WeakPolarHBondContact O-CA 3.38Å; P171-K174 WeakPolarHBondContact O-CB 3.42Å; P171-K174 PolarHBondContact O-N 3.06Å; P171-E175 PolarHBondContact O-N 2.82Å
172V46.6Very low39Very low66 Ų66109.1 Ų109.140%0.458%0.578SS.*Hα-helixtrans-66.1-49-174.1-179.90000110.9P169 V170 K174 E175 L176P169-V172 PolarHBondContact O-N 3.42Å; V170-V172 PolarHBondContact O-N 3.1Å; V172-K174 PolarHBondContact O-N 3.16Å; V172-E175 PolarHBondContact O-N 3.4Å; V172-L176 HydrophobicContact CG1-CD1 4.34Å; V172-L176 WeakPolarHBondContact O-CB 3.31Å; V172-L176 PolarHBondContact O-N 3.45Å
173C40.6Very low39.1Very low21 Ų21106 Ų10614%0.14257%0.567CS.*Hα-helixtrans-67.3-20.2175-550000112.7V177 C227C173-V177 WeakPolarHBondContact O-CG2 3.37Å; C173-V177 PolarHBondContact O-N 3.38Å; C173-C227 WeakPolarHBondContact CA-SG 3.38Å; C173-C227 HydrophobicContact CB-CB 4.3Å; C173-C227 WeakPolarHBondContact CB-SG 3.11Å; C173-C227 VanDerWaalsContact SG-CA 3.59Å; C173-C227 WeakPolarHBondContact SG-CB 3.47Å; C173-C227 CovalentContact SG-SG 2.04Å; C173-C227 PolarHBondContact SG-SG 2.63Å
174K46.1Very low39.1Very low117 Ų117102.3 Ų102.351%0.50956%0.555SS.*Hα-helixtrans-82.1-37.4176.3-170.7179.4-179.4-173.60112V170 P171 V172 V177 Q178V170-K174 WeakPolarHBondContact O-CB 3.42Å; V170-K174 PolarHBondContact O-N 3.35Å; V170-K174 VanDerWaalsContact O-N 3.09Å; P171-K174 CarbonylContact O-C 3.57Å; P171-K174 WeakPolarHBondContact O-CA 3.38Å; P171-K174 WeakPolarHBondContact O-CB 3.42Å; P171-K174 PolarHBondContact O-N 3.06Å; V172-K174 PolarHBondContact O-N 3.16Å; K174-V177 PolarHBondContact O-N 3.05Å; K174-Q178 WeakPolarHBondContact O-CB 3.46Å; K174-Q178 VanDerWaalsContact O-CG 3.27Å; K174-Q178 WeakPolarHBondContact O-CG 3.41Å; K174-Q178 PolarHBondContact O-N 2.95Å
175E47.7Very low39.9Very low123 Ų12398.2 Ų98.258%0.57553%0.534SS*.Hα-helixtrans-64.8-45.8171.2-73.9-175.9142.100111.1P171 V172 V177 Q178 H179P171-E175 PolarHBondContact O-N 2.82Å; V172-E175 PolarHBondContact O-N 3.4Å; E175-V177 PolarHBondContact O-N 3.06Å; E175-Q178 PolarHBondContact O-N 3.45Å; E175-Q178 VanDerWaalsContact O-N 3.08Å; E175-H179 PolarHBondContact O-N 2.9Å; E175-H179 VanDerWaalsContact O-N 3.15Å
176L40.1Very low40.6Very low60 Ų6093.8 Ų93.831%0.31451%0.509SS..Hα-helixtrans-49.6-30.6170.1-92.3159.1000114V172 E187 C227V172-L176 HydrophobicContact CG1-CD1 4.34Å; V172-L176 WeakPolarHBondContact O-CB 3.31Å; V172-L176 PolarHBondContact O-N 3.45Å; L176-E187 HydrophobicContact CD2-CB 3.94Å; L176-E187 HydrophobicContact CD2-CG 3.69Å; L176-C227 VanDerWaalsContact CD1-SG 3.54Å
177V45.2Very low41.3Very low41 Ų4191.6 Ų91.625%0.24849%0.49CS..Hα-helixtrans-95.4-26.8-177.5168.40000112.9C173 K174 E175 W230C173-V177 WeakPolarHBondContact O-CG2 3.37Å; C173-V177 PolarHBondContact O-N 3.38Å; K174-V177 PolarHBondContact O-N 3.05Å; E175-V177 PolarHBondContact O-N 3.06Å; V177-W230 HydrophobicContact CB-CE3 4.23Å; V177-W230 HydrophobicContact CG1-CE3 3.84Å; V177-W230 HydrophobicContact CG1-CZ3 4.04Å; V177-W230 HydrophobicContact CG2-CB 3.63Å; V177-W230 HydrophobicContact CG2-CD2 4.07Å; V177-W230 HydrophobicContact CG2-CE3 3.53Å; V177-W230 HydrophobicContact CG2-CG 4.19Å; V177-W230 HydrophobicContact CG2-CZ3 4.4Å
178Q43.9Very low42.1Very low132 Ų13290.5 Ų90.562%0.61747%0.471SS*.Hα-helixtrans-90.1-8.8-176.9-74.7-174-19.200113.6K174 E175K174-Q178 WeakPolarHBondContact O-CB 3.46Å; K174-Q178 VanDerWaalsContact O-CG 3.27Å; K174-Q178 WeakPolarHBondContact O-CG 3.41Å; K174-Q178 PolarHBondContact O-N 2.95Å; E175-Q178 PolarHBondContact O-N 3.45Å; E175-Q178 VanDerWaalsContact O-N 3.08Å
179H38.9Very low42.8Very low140 Ų14092.8 Ų92.865%0.64847%0.474SS*.SBendtrans-103.3150.8179.5-76.613.2000114.2E175E175-H179 PolarHBondContact O-N 2.9Å; E175-H179 VanDerWaalsContact O-N 3.15Å
180N41Very low43Very low118 Ų11895 Ų9563%0.63148%0.478SS*.  trans-73.5136.8-161.8-160.2-30.9000110.4R182N180-R182 PolarHBondContact O-N 3.39Å
181P38.7Very low43.3Very low82 Ų8291.1 Ų91.153%0.53245%0.454SS..THydrogen-bonded Turntrans-61.317.5-171.621.7-36.2000118.3
182R36.4Very low43.5Very low229 Ų22988.8 Ų88.886%0.86444%0.437SS*.THydrogen-bonded Turntrans-85-5176.5-70.3-175.1172.3179.2-3114.7N180N180-R182 PolarHBondContact O-N 3.39Å
183L35.4Very low43.8Very low122 Ų12288.5 Ų88.564%0.63943%0.431SS*.  trans-106.878.8-180-80.4139.3000110.6
184C37.1Very low44.2Very low59 Ų5992 Ų9240%0.39944%0.442SS..  trans-76.3136.8159.2-69.60000108.7
185L46.8Very low44.2Very low67 Ų6789.2 Ų89.235%0.35143%0.433SS..SBendtrans93.7-26.3162-56.4129.1000120.2E187 F188 R189 S332 L336L185-E187 VanDerWaalsContact C-N 3.28Å; L185-E187 PolarHBondContact O-N 2.83Å; L185-F188 PolarHBondContact O-N 2.03Å; L185-R189 PolarHBondContact O-N 3.2Å; L185-S332 VanDerWaalsContact CB-CB 3.45Å; L185-L336 HydrophobicContact CD2-CD1 3.38Å; L185-L336 HydrophobicContact CD2-CG 4.39Å
186S41.6Very low44.4Very low48 Ų4884 Ų8434%0.33641%0.41SS..Hα-helixtrans-61.9-33.8177.361.50000113.8R189 H190S186-R189 VanDerWaalsContact O-CB 3.28Å; S186-R189 WeakPolarHBondContact O-CB 3.49Å; S186-H190 PolarHBondContact O-ND1 3.31Å
187E44.7Very low45Very low82 Ų8286.6 Ų86.638%0.38342%0.42SS..Hα-helixtrans-79.3-32.2-179.6-56.3-50.512000112L176 L185 R189 H190 V191L176-E187 HydrophobicContact CD2-CB 3.94Å; L176-E187 HydrophobicContact CD2-CG 3.69Å; L185-E187 VanDerWaalsContact C-N 3.28Å; L185-E187 PolarHBondContact O-N 2.83Å; E187-R189 PolarHBondContact O-N 3Å; E187-H190 PolarHBondContact O-N 3.45Å; E187-V191 PolarHBondContact O-N 3.47Å
188F47.6Very low45.2Very low50 Ų5085.8 Ų85.822%0.21942%0.418CS..Hα-helixtrans-65.4-27.2174.8-118.7-88.8000112L185 I192 V241 I244L185-F188 PolarHBondContact O-N 2.03Å; F188-I192 HydrophobicContact CD1-CD1 3.75Å; F188-I192 HydrophobicContact CD1-CG1 4.26Å; F188-I192 HydrophobicContact CE1-CD1 4.29Å; F188-I192 WeakPolarHBondContact O-CB 3.13Å; F188-I192 WeakPolarHBondContact O-CG1 3Å; F188-I192 PolarHBondContact O-N 3.33Å; F188-I192 VanDerWaalsContact O-N 3.08Å; F188-V241 HydrophobicContact CE2-CG1 4.22Å; F188-I244 HydrophobicContact CZ-CG2 4.35Å
189R50.2Low45.3Very low126 Ų12680.4 Ų80.448%0.47540%0.396SS..Hα-helixtrans-57-52.7171.4-179.2-173.7175.3175.50.3111.5L185 S186 E187 V191 I192 E193 F335L185-R189 PolarHBondContact O-N 3.2Å; S186-R189 VanDerWaalsContact O-CB 3.28Å; S186-R189 WeakPolarHBondContact O-CB 3.49Å; E187-R189 PolarHBondContact O-N 3Å; R189-V191 VanDerWaalsContact C-N 3.34Å; R189-V191 PolarHBondContact O-N 3.25Å; R189-I192 PolarHBondContact O-N 3.26Å; R189-I192 VanDerWaalsContact O-N 3.13Å; R189-E193 HydrophobicContact CG-CG 4.34Å; R189-E193 IonicContact CZ-OE1 2.68Å; R189-E193 IonicContact NE-OE1 2.66Å; R189-E193 PolarHBondContact NE-OE1 2.89Å; R189-E193 IonicContact NE-OE2 2.65Å; R189-E193 IonicContact NH2-OE1 3.38Å; R189-E193 PolarHBondContact NH2-OE1 3.31Å; R189-E193 VanDerWaalsContact NH2-OE1 3.12Å; R189-E193 WeakPolarHBondContact O-CB 3.02Å; R189-E193 PolarHBondContact O-N 3.06Å; R189-F335 HydrophobicContact CB-CE1 4.27Å; R189-F335 HydrophobicContact CG-CE1 3.84Å; R189-F335 HydrophobicContact CG-CZ 3.98Å
190H48.5Very low45.7Very low121 Ų12180.7 Ų80.756%0.5639%0.393SS*.Hα-helixtrans-62.2-42.2-177.8-71.283.9000111.8S186 E187 I192 Y194S186-H190 PolarHBondContact O-ND1 3.31Å; E187-H190 PolarHBondContact O-N 3.45Å; H190-I192 VanDerWaalsContact C-N 3.29Å; H190-I192 PolarHBondContact O-N 3.16Å; H190-Y194 VanDerWaalsContact O-CB 3.22Å; H190-Y194 WeakPolarHBondContact O-CB 3.49Å; H190-Y194 PolarHBondContact O-N 3.35Å
191V47.2Very low45.9Very low30 Ų3079.7 Ų79.718%0.18240%0.395CS..Hα-helixtrans-58.7-41.2174.9176.20000111.8E187 R189 L195 L224E187-V191 PolarHBondContact O-N 3.47Å; R189-V191 VanDerWaalsContact C-N 3.34Å; R189-V191 PolarHBondContact O-N 3.25Å; V191-L195 HydrophobicContact CG1-CD1 4.17Å; V191-L195 VanDerWaalsContact O-CG 3.29Å; V191-L195 WeakPolarHBondContact O-CG 3.42Å; V191-L195 PolarHBondContact O-N 3.31Å; V191-L224 HydrophobicContact CB-CD1 4.23Å; V191-L224 HydrophobicContact CG1-CD1 3.81Å; V191-L224 HydrophobicContact CG1-CD2 3.72Å; V191-L224 HydrophobicContact CG1-CG 4.29Å; V191-L224 HydrophobicContact CG2-CD1 3.59Å
192I49.5Very low46.1Very low31 Ų3178.4 Ų78.416%0.15938%0.381CS..Hα-helixtrans-85.7-33-175.2-66.7-179.1000112.3F188 R189 H190 Y194 L195 S196 L336 L339F188-I192 HydrophobicContact CD1-CD1 3.75Å; F188-I192 HydrophobicContact CD1-CG1 4.26Å; F188-I192 HydrophobicContact CE1-CD1 4.29Å; F188-I192 WeakPolarHBondContact O-CB 3.13Å; F188-I192 WeakPolarHBondContact O-CG1 3Å; F188-I192 PolarHBondContact O-N 3.33Å; F188-I192 VanDerWaalsContact O-N 3.08Å; R189-I192 PolarHBondContact O-N 3.26Å; R189-I192 VanDerWaalsContact O-N 3.13Å; H190-I192 VanDerWaalsContact C-N 3.29Å; H190-I192 PolarHBondContact O-N 3.16Å; I192-Y194 VanDerWaalsContact C-N 3.3Å; I192-L195 PolarHBondContact O-N 2.66Å; I192-S196 VanDerWaalsContact O-CB 3.22Å; I192-S196 WeakPolarHBondContact O-CB 3.49Å; I192-S196 PolarHBondContact O-N 3.45Å; I192-L336 HydrophobicContact CD1-CD2 3.39Å; I192-L339 HydrophobicContact CB-CD1 4.32Å; I192-L339 HydrophobicContact CG2-CB 4.03Å; I192-L339 HydrophobicContact CG2-CD1 3.43Å; I192-L339 VanDerWaalsContact CG2-CD1 3.43Å; I192-L339 HydrophobicContact CG2-CD2 3.33Å; I192-L339 HydrophobicContact CG2-CG 3.72Å
193E51.7Low46.4Very low59 Ų5975.8 Ų75.828%0.27638%0.379SS..Hα-helixtrans-61-41167.1-80.7171.4169.100110.3R189 S196 Q197R189-E193 HydrophobicContact CG-CG 4.34Å; R189-E193 IonicContact CZ-OE1 2.68Å; R189-E193 IonicContact NE-OE1 2.66Å; R189-E193 PolarHBondContact NE-OE1 2.89Å; R189-E193 IonicContact NE-OE2 2.65Å; R189-E193 IonicContact NH2-OE1 3.38Å; R189-E193 PolarHBondContact NH2-OE1 3.31Å; R189-E193 VanDerWaalsContact NH2-OE1 3.12Å; R189-E193 WeakPolarHBondContact O-CB 3.02Å; R189-E193 PolarHBondContact O-N 3.06Å; E193-S196 WeakPolarHBondContact O-CB 3.41Å; E193-S196 PolarHBondContact O-N 3.38Å; E193-Q197 WeakPolarHBondContact O-CG 3.42Å; E193-Q197 PolarHBondContact O-N 2.82Å
194Y49.3Very low46.6Very low94 Ų9474.3 Ų74.337%0.36937%0.367SS..Hα-helixtrans-63.2-47.3173.4-176.6-96.4000112.6H190 I192 S196 Q197 A198 H220H190-Y194 VanDerWaalsContact O-CB 3.22Å; H190-Y194 WeakPolarHBondContact O-CB 3.49Å; H190-Y194 PolarHBondContact O-N 3.35Å; I192-Y194 VanDerWaalsContact C-N 3.3Å; Y194-S196 VanDerWaalsContact C-N 3.27Å; Y194-S196 PolarHBondContact O-N 3.19Å; Y194-Q197 PolarHBondContact O-N 3.07Å; Y194-A198 WeakPolarHBondContact O-CB 2.98Å; Y194-A198 PolarHBondContact O-N 2.96Å; Y194-H220 PolarHBondContact OH-ND1 3.13Å
195L47.1Very low46.5Very low59 Ų5977.5 Ų77.531%0.30939%0.387SS..Hα-helixtrans-63.8-31.9175-73.1168.5000112.5V191 I192 A199V191-L195 HydrophobicContact CG1-CD1 4.17Å; V191-L195 VanDerWaalsContact O-CG 3.29Å; V191-L195 WeakPolarHBondContact O-CG 3.42Å; V191-L195 PolarHBondContact O-N 3.31Å; I192-L195 PolarHBondContact O-N 2.66Å; L195-A199 VanDerWaalsContact O-CB 3.25Å; L195-A199 WeakPolarHBondContact O-CB 3.39Å; L195-A199 PolarHBondContact O-N 3.24Å
196S52.1Low46.3Very low15 Ų1578.2 Ų78.211%0.10541%0.411CS..Hα-helixtrans-68.3-47.4174.3175.40000111.8I192 E193 Y194 A199 Y200 M342I192-S196 VanDerWaalsContact O-CB 3.22Å; I192-S196 WeakPolarHBondContact O-CB 3.49Å; I192-S196 PolarHBondContact O-N 3.45Å; E193-S196 WeakPolarHBondContact O-CB 3.41Å; E193-S196 PolarHBondContact O-N 3.38Å; Y194-S196 VanDerWaalsContact C-N 3.27Å; Y194-S196 PolarHBondContact O-N 3.19Å; S196-A199 PolarHBondContact O-N 2.93Å; S196-Y200 PolarHBondContact O-N 3.23Å; S196-M342 PolarHBondContact OG-SD 2.77Å
197Q53.3Low46Very low113 Ų11382 Ų8253%0.52842%0.424SS..Hα-helixtrans-62.6-44.8175.3-72.3174.18.800111.2E193 Y194 A199 Y200 S201E193-Q197 WeakPolarHBondContact O-CG 3.42Å; E193-Q197 PolarHBondContact O-N 2.82Å; Y194-Q197 PolarHBondContact O-N 3.07Å; Q197-A199 VanDerWaalsContact C-N 3.34Å; Q197-A199 PolarHBondContact O-N 3.49Å; Q197-Y200 PolarHBondContact O-N 3.21Å; Q197-S201 PolarHBondContact O-N 3.01Å; Q197-S201 PolarHBondContact O-OG 2.85Å; Q197-S201 VanDerWaalsContact O-OG 3.08Å
198A47.7Very low46.2Very low24 Ų2484.1 Ų84.120%0.19844%0.442CS..Hα-helixtrans-58.7-44.5173.500000111.7Y194 Y200 S201 F202Y194-A198 WeakPolarHBondContact O-CB 2.98Å; Y194-A198 PolarHBondContact O-N 2.96Å; A198-Y200 VanDerWaalsContact C-N 3.35Å; A198-Y200 PolarHBondContact O-N 2.81Å; A198-S201 WeakPolarHBondContact O-CB 2.93Å; A198-S201 PolarHBondContact O-N 2.81Å; A198-S201 VanDerWaalsContact O-N 3.16Å; A198-F202 HydrophobicContact CB-CE2 4.3Å; A198-F202 WeakPolarHBondContact O-CD2 3.42Å; A198-F202 WeakPolarHBondContact O-CE2 3.49Å; A198-F202 WeakPolarHBondContact O-CG 3.32Å; A198-F202 PolarHBondContact O-N 3.22Å
199A46.4Very low46.1Very low19 Ų1984.1 Ų84.116%0.15744%0.443CS..Hα-helixtrans-63.8-36176.600000113.3L195 S196 Q197 S201 F202 T346L195-A199 VanDerWaalsContact O-CB 3.25Å; L195-A199 WeakPolarHBondContact O-CB 3.39Å; L195-A199 PolarHBondContact O-N 3.24Å; S196-A199 PolarHBondContact O-N 2.93Å; Q197-A199 VanDerWaalsContact C-N 3.34Å; Q197-A199 PolarHBondContact O-N 3.49Å; A199-S201 VanDerWaalsContact C-N 3.32Å; A199-F202 PolarHBondContact O-N 2.72Å; A199-T346 HydrophobicContact CB-CG2 4.34Å
200Y47.4Very low46.2Very low146 Ų14683.7 Ų83.757%0.57345%0.445SS*.Hα-helixtrans-65.4-33.4172.2-101.9-79.3000112.7S196 Q197 A198 F202 M342S196-Y200 PolarHBondContact O-N 3.23Å; Q197-Y200 PolarHBondContact O-N 3.21Å; A198-Y200 VanDerWaalsContact C-N 3.35Å; A198-Y200 PolarHBondContact O-N 2.81Å; Y200-F202 PolarHBondContact O-N 3.09Å; Y200-M342 HydrophobicContact CE2-SD 4.26Å
201S44.4Very low46.3Very low97 Ų9782.5 Ų82.568%0.67845%0.45SS*.THydrogen-bonded Turntrans-71.4-3174.3-55.40000114.1Q197 A198 A199Q197-S201 PolarHBondContact O-N 3.01Å; Q197-S201 PolarHBondContact O-OG 2.85Å; Q197-S201 VanDerWaalsContact O-OG 3.08Å; A198-S201 WeakPolarHBondContact O-CB 2.93Å; A198-S201 PolarHBondContact O-N 2.81Å; A198-S201 VanDerWaalsContact O-N 3.16Å; A199-S201 VanDerWaalsContact C-N 3.32Å
202F44.3Very low46.4Very low56 Ų5685.6 Ų85.625%0.24647%0.47CS..THydrogen-bonded Turntrans-117.842.9-175.8-65.1-46.2000113A198 A199 Y200 F204 F213 L217A198-F202 HydrophobicContact CB-CE2 4.3Å; A198-F202 WeakPolarHBondContact O-CD2 3.42Å; A198-F202 WeakPolarHBondContact O-CE2 3.49Å; A198-F202 WeakPolarHBondContact O-CG 3.32Å; A198-F202 PolarHBondContact O-N 3.22Å; A199-F202 PolarHBondContact O-N 2.72Å; Y200-F202 PolarHBondContact O-N 3.09Å; F202-F204 HydrophobicContact CB-CD2 4.18Å; F202-F204 HydrophobicContact CB-CE2 3.71Å; F202-F204 HydrophobicContact CB-CZ 4.35Å; F202-F204 HydrophobicContact CD1-CE2 4.46Å; F202-F204 HydrophobicContact CD1-CZ 4.34Å; F202-F204 HydrophobicContact CG-CE2 4.25Å; F202-F204 WeakPolarHBondContact O-CD2 3.29Å; F202-F204 PolarHBondContact O-N 3.3Å; F202-F213 AromaticContact CD1-CD1 3.77Å; F202-F213 HydrophobicContact CD1-CD1 3.77Å; F202-F213 AromaticContact CD1-CE1 3.77Å; F202-F213 HydrophobicContact CD1-CE1 3.77Å; F202-F213 AromaticContact CE1-CD1 3.57Å; F202-F213 HydrophobicContact CE1-CD1 3.57Å; F202-F213 AromaticContact CE1-CE1 3.79Å; F202-F213 HydrophobicContact CE1-CE1 3.79Å; F202-L217 HydrophobicContact CE2-CD1 4.2Å
203E41.4Very low46.9Very low173 Ų17387.5 Ų87.581%0.80848%0.477SS*.  trans-61.3101.8168.3-78.2-160.7141.900110.9P205E203-P205 WeakPolarHBondContact O-CD 3.33Å
204F40.9Very low47.2Very low92 Ų9285.4 Ų85.440%0.40447%0.468SS..  trans-99.4102.9179.4-73.5-68.1000112F202 G206 L209 F213F202-F204 HydrophobicContact CB-CD2 4.18Å; F202-F204 HydrophobicContact CB-CE2 3.71Å; F202-F204 HydrophobicContact CB-CZ 4.35Å; F202-F204 HydrophobicContact CD1-CE2 4.46Å; F202-F204 HydrophobicContact CD1-CZ 4.34Å; F202-F204 HydrophobicContact CG-CE2 4.25Å; F202-F204 WeakPolarHBondContact O-CD2 3.29Å; F202-F204 PolarHBondContact O-N 3.3Å; F204-G206 VanDerWaalsContact C-N 3.33Å; F204-G206 PolarHBondContact O-N 3.3Å; F204-L209 HydrophobicContact CE1-CD2 4.33Å; F204-L209 HydrophobicContact CE2-CD2 3.77Å; F204-L209 HydrophobicContact CZ-CD2 3.5Å; F204-L209 HydrophobicContact CZ-CG 4.47Å; F204-F213 HydrophobicContact CE1-CD1 4.33Å; F204-F213 HydrophobicContact CE1-CD2 4.17Å; F204-F213 HydrophobicContact CE1-CE1 4.38Å; F204-F213 HydrophobicContact CE1-CE2 4.22Å; F204-F213 HydrophobicContact CE1-CG 4.23Å; F204-F213 HydrophobicContact CE1-CZ 4.32Å; F204-F213 HydrophobicContact CZ-CB 4.41Å; F204-F213 AromaticContact CZ-CD1 3.91Å; F204-F213 HydrophobicContact CZ-CD1 3.91Å; F204-F213 HydrophobicContact CZ-CD2 4.4Å; F204-F213 HydrophobicContact CZ-CE1 4.25Å; F204-F213 AromaticContact CZ-CG 3.99Å; F204-F213 HydrophobicContact CZ-CG 3.99Å
205P35.4Very low47.9Very low125 Ų12583 Ų8381%0.81247%0.472SS*.  trans-73.48716230.5-33.2000110.3E203 E207E203-P205 WeakPolarHBondContact O-CD 3.33Å; P205-E207 PolarHBondContact O-N 2.02Å; P205-E207 VanDerWaalsContact O-N 3.15Å
206G42.3Very low48.4Very low83 Ų8385.3 Ų85.386%0.85648%0.481SS*.SBendtrans78.7-715300000120F204F204-G206 VanDerWaalsContact C-N 3.33Å; F204-G206 PolarHBondContact O-N 3.3Å
207E35.5Very low48.8Very low128 Ų12886.4 Ų86.460%0.59849%0.485SS*.  trans-97.5153.9180-73.2-157.714800115.2P205 K210P205-E207 PolarHBondContact O-N 2.02Å; P205-E207 VanDerWaalsContact O-N 3.15Å; E207-K210 VanDerWaalsContact OE2-CE 3.23Å; E207-K210 WeakPolarHBondContact OE2-CE 3.49Å; E207-K210 IonicContact OE2-NZ 2.73Å; E207-K210 PolarHBondContact OE2-NZ 2.67Å
208V47.7Very low49.4Very low126 Ų12681.5 Ų81.576%0.76446%0.464SS*.  trans-60.4136.3172178.60000110.2K210V208-K210 PolarHBondContact O-N 3.14Å
209L46.8Very low50.1Low49 Ų4983.5 Ų83.526%0.25748%0.48SS..  trans-48.6103.3172.4-87.3161.1000111.3F204 F213F204-L209 HydrophobicContact CE1-CD2 4.33Å; F204-L209 HydrophobicContact CE2-CD2 3.77Å; F204-L209 HydrophobicContact CZ-CD2 3.5Å; F204-L209 HydrophobicContact CZ-CG 4.47Å; L209-F213 HydrophobicContact CD2-CB 3.91Å
210K51.7Low50.6Low118 Ų11886.5 Ų86.551%0.51349%0.49SS..  trans-60.7143.3172.9-70.2171-177.2157.30108.6E207 V208 T212 F213 T214E207-K210 VanDerWaalsContact OE2-CE 3.23Å; E207-K210 WeakPolarHBondContact OE2-CE 3.49Å; E207-K210 IonicContact OE2-NZ 2.73Å; E207-K210 PolarHBondContact OE2-NZ 2.67Å; V208-K210 PolarHBondContact O-N 3.14Å; K210-T212 PolarHBondContact O-N 3.45Å; K210-F213 HydrophobicContact CB-CD2 4.43Å; K210-F213 PolarHBondContact O-N 2.9Å; K210-T214 PolarHBondContact O-N 2.67Å
211S51.3Low51.2Low95 Ų9580.1 Ų80.166%0.66447%0.466SS*.Hα-helixtrans-54.9-30.5-174.247.70000113.7T214 G215S211-T214 PolarHBondContact O-N 3.38Å; S211-G215 PolarHBondContact O-N 3.46Å
212T49.1Very low52Low96 Ų9678.5 Ų78.559%0.58945%0.45SS*.Hα-helixtrans-57.3-45.8172.67.50000113.1K210 G215 Q216K210-T212 PolarHBondContact O-N 3.45Å; T212-G215 PolarHBondContact O-N 2.69Å; T212-Q216 PolarHBondContact O-N 2.59Å
213F59.5Low52.7Low71 Ų7177.1 Ų77.131%0.31145%0.447SS..Hα-helixtrans-66.8-39.8178.2-84.8-79.2000112F202 F204 L209 K210 G215 Q216 L217F202-F213 AromaticContact CD1-CD1 3.77Å; F202-F213 HydrophobicContact CD1-CD1 3.77Å; F202-F213 AromaticContact CD1-CE1 3.77Å; F202-F213 HydrophobicContact CD1-CE1 3.77Å; F202-F213 AromaticContact CE1-CD1 3.57Å; F202-F213 HydrophobicContact CE1-CD1 3.57Å; F202-F213 AromaticContact CE1-CE1 3.79Å; F202-F213 HydrophobicContact CE1-CE1 3.79Å; F204-F213 HydrophobicContact CE1-CD1 4.33Å; F204-F213 HydrophobicContact CE1-CD2 4.17Å; F204-F213 HydrophobicContact CE1-CE1 4.38Å; F204-F213 HydrophobicContact CE1-CE2 4.22Å; F204-F213 HydrophobicContact CE1-CG 4.23Å; F204-F213 HydrophobicContact CE1-CZ 4.32Å; F204-F213 HydrophobicContact CZ-CB 4.41Å; F204-F213 AromaticContact CZ-CD1 3.91Å; F204-F213 HydrophobicContact CZ-CD1 3.91Å; F204-F213 HydrophobicContact CZ-CD2 4.4Å; F204-F213 HydrophobicContact CZ-CE1 4.25Å; F204-F213 AromaticContact CZ-CG 3.99Å; F204-F213 HydrophobicContact CZ-CG 3.99Å; L209-F213 HydrophobicContact CD2-CB 3.91Å; K210-F213 HydrophobicContact CB-CD2 4.43Å; K210-F213 PolarHBondContact O-N 2.9Å; F213-G215 VanDerWaalsContact C-N 3.31Å; F213-G215 PolarHBondContact O-N 3.04Å; F213-Q216 PolarHBondContact O-N 3.14Å; F213-L217 WeakPolarHBondContact O-CB 2.81Å; F213-L217 PolarHBondContact O-N 3.17Å
214T57.2Low53.5Low15 Ų1570.1 Ų70.19%0.09242%0.415CS..Hα-helixtrans-62.5-41172.9-40.70000110.8K210 S211 L217 C218K210-T214 PolarHBondContact O-N 2.67Å; S211-T214 PolarHBondContact O-N 3.38Å; T214-L217 PolarHBondContact O-N 3.12Å; T214-C218 WeakPolarHBondContact O-CB 3.12Å; T214-C218 PolarHBondContact O-N 3.31Å; T214-C218 PolarHBondContact O-SG 2.88Å
215G63.5Low54.4Low43 Ų4366 Ų6644%0.44340%0.397SS..Hα-helixtrans-59.6-48.2176.200000113.2S211 T212 F213 C218 A219S211-G215 PolarHBondContact O-N 3.46Å; T212-G215 PolarHBondContact O-N 2.69Å; F213-G215 VanDerWaalsContact C-N 3.31Å; F213-G215 PolarHBondContact O-N 3.04Å; G215-C218 PolarHBondContact O-N 3.05Å; G215-A219 WeakPolarHBondContact O-CB 3.17Å; G215-A219 PolarHBondContact O-N 3.36Å
216Q58.9Low55.6Low108 Ų10863.8 Ų63.851%0.50538%0.378SS..Hα-helixtrans-63-45.6177.3-73.8172.9-29.900112.4T212 F213 C218 A219 H220T212-Q216 PolarHBondContact O-N 2.59Å; F213-Q216 PolarHBondContact O-N 3.14Å; Q216-C218 VanDerWaalsContact C-N 3.31Å; Q216-C218 PolarHBondContact O-N 2.96Å; Q216-A219 PolarHBondContact O-N 3.44Å; Q216-H220 PolarHBondContact O-N 3.31Å
217L59.3Low56.2Low37 Ų3760.4 Ų60.419%0.19434%0.341CS..Hα-helixtrans-57.5-45175.8-177.666.1000111.4F202 F213 T214 H220 I221 L255F202-L217 HydrophobicContact CE2-CD1 4.2Å; F213-L217 WeakPolarHBondContact O-CB 2.81Å; F213-L217 PolarHBondContact O-N 3.17Å; T214-L217 PolarHBondContact O-N 3.12Å; L217-H220 PolarHBondContact O-N 2.98Å; L217-I221 HydrophobicContact CD1-CD1 3.83Å; L217-I221 HydrophobicContact CD1-CG1 4.46Å; L217-I221 HydrophobicContact CG-CD1 3.79Å; L217-I221 WeakPolarHBondContact O-CB 3.24Å; L217-I221 VanDerWaalsContact O-CG1 3.26Å; L217-I221 WeakPolarHBondContact O-CG1 3.12Å; L217-I221 PolarHBondContact O-N 2.92Å; L217-L255 HydrophobicContact CD2-CD2 3.8Å
218C67.3Low57.2Low11 Ų1155.7 Ų55.77%0.07432%0.32CS..Hα-helixtrans-72.1-31.8-180-64.70000113.4T214 G215 Q216 N222 C256 F258T214-C218 WeakPolarHBondContact O-CB 3.12Å; T214-C218 PolarHBondContact O-N 3.31Å; T214-C218 PolarHBondContact O-SG 2.88Å; G215-C218 PolarHBondContact O-N 3.05Å; Q216-C218 VanDerWaalsContact C-N 3.31Å; Q216-C218 PolarHBondContact O-N 2.96Å; C218-N222 PolarHBondContact O-N 3.03Å; C218-N222 VanDerWaalsContact O-N 3.16Å; C218-C256 VanDerWaalsContact CA-SG 3.54Å; C218-C256 HydrophobicContact CB-CB 3.72Å; C218-C256 WeakPolarHBondContact CB-SG 3.48Å; C218-C256 WeakPolarHBondContact SG-CA 3.37Å; C218-C256 WeakPolarHBondContact SG-CB 3.44Å; C218-C256 CovalentContact SG-SG 2.02Å; C218-C256 PolarHBondContact SG-SG 2.94Å; C218-F258 HydrophobicContact CB-CZ 4.08Å
219A62.7Low57.5Low66 Ų6653.5 Ų53.555%0.54530%0.3SS..Hα-helixtrans-65.6-39171.700000112G215 Q216 P223G215-A219 WeakPolarHBondContact O-CB 3.17Å; G215-A219 PolarHBondContact O-N 3.36Å; Q216-A219 PolarHBondContact O-N 3.44Å; A219-P223 WeakPolarHBondContact O-CD 3.25Å
220H57Low58Low81 Ų8159.5 Ų59.538%0.37532%0.32SS..Hα-helixtrans-74.9-33.1176.2-83.2-55000114.1Y194 Q216 L217Y194-H220 PolarHBondContact OH-ND1 3.13Å; Q216-H220 PolarHBondContact O-N 3.31Å; L217-H220 PolarHBondContact O-N 2.98Å
221I58.1Low58.1Low13 Ų1356.2 Ų56.27%0.06731%0.31CS..Hα-helixtrans-76-32.6180-70.4171.3000112L217 L224 M225 I252L217-I221 HydrophobicContact CD1-CD1 3.83Å; L217-I221 HydrophobicContact CD1-CG1 4.46Å; L217-I221 HydrophobicContact CG-CD1 3.79Å; L217-I221 WeakPolarHBondContact O-CB 3.24Å; L217-I221 VanDerWaalsContact O-CG1 3.26Å; L217-I221 WeakPolarHBondContact O-CG1 3.12Å; L217-I221 PolarHBondContact O-N 2.92Å; I221-L224 VanDerWaalsContact O-CB 3.31Å; I221-L224 WeakPolarHBondContact O-CB 3.01Å; I221-L224 PolarHBondContact O-N 2.89Å; I221-L224 VanDerWaalsContact O-N 3.14Å; I221-M225 HydrophobicContact CG2-CG 3.71Å; I221-M225 HydrophobicContact CG2-SD 4.05Å; I221-M225 WeakPolarHBondContact O-CG 3.04Å; I221-M225 PolarHBondContact O-N 3.15Å; I221-I252 HydrophobicContact CG2-CB 4.38Å; I221-I252 HydrophobicContact CG2-CD1 3.75Å; I221-I252 HydrophobicContact CG2-CG1 4.09Å; I221-I252 HydrophobicContact CG2-CG2 3.43Å; I221-I252 VanDerWaalsContact CG2-CG2 3.43Å
222N61.9Low58Low62 Ų6257.5 Ų57.533%0.33231%0.309SS..Hα-helixtrans-52.5-50.5-176.5-105-12.1000114.8C218 L224 M225 D226 F258C218-N222 PolarHBondContact O-N 3.03Å; C218-N222 VanDerWaalsContact O-N 3.16Å; N222-L224 VanDerWaalsContact C-N 3.31Å; N222-L224 PolarHBondContact O-N 3Å; N222-M225 WeakPolarHBondContact O-CB 3.5Å; N222-M225 PolarHBondContact O-N 2.74Å; N222-M225 VanDerWaalsContact O-N 3.15Å; N222-D226 PolarHBondContact O-N 2.73Å; N222-F258 VanDerWaalsContact CG-CZ 3.41Å; N222-F258 WeakPolarHBondContact ND2-CE1 2.82Å; N222-F258 VanDerWaalsContact ND2-CZ 3.29Å; N222-F258 WeakPolarHBondContact ND2-CZ 3.37Å; N222-F258 WeakPolarHBondContact OD1-CE2 2.98Å; N222-F258 WeakPolarHBondContact OD1-CZ 3.43Å
223P60.3Low58Low28 Ų2859.8 Ų59.818%0.18231%0.311CS..Hα-helixtrans-65.7-31.9179.9-22.134000113.5A167 L168 A219 D226 C227A167-P223 HydrophobicContact CB-CG 4.48Å; L168-P223 HydrophobicContact CB-CB 3.51Å; L168-P223 HydrophobicContact CB-CG 4.48Å; L168-P223 HydrophobicContact CD1-CB 4.26Å; L168-P223 HydrophobicContact CG-CB 4.37Å; A219-P223 WeakPolarHBondContact O-CD 3.25Å; P223-D226 PolarHBondContact O-N 3.28Å; P223-C227 PolarHBondContact O-N 3.38Å
224L57.6Low57.7Low26 Ų2659.6 Ų59.614%0.13633%0.329CS..Hα-helixtrans-62.4-44.9172.7-176.475.2000110.7V191 I221 N222 D226 C227 L228V191-L224 HydrophobicContact CB-CD1 4.23Å; V191-L224 HydrophobicContact CG1-CD1 3.81Å; V191-L224 HydrophobicContact CG1-CD2 3.72Å; V191-L224 HydrophobicContact CG1-CG 4.29Å; V191-L224 HydrophobicContact CG2-CD1 3.59Å; I221-L224 VanDerWaalsContact O-CB 3.31Å; I221-L224 WeakPolarHBondContact O-CB 3.01Å; I221-L224 PolarHBondContact O-N 2.89Å; I221-L224 VanDerWaalsContact O-N 3.14Å; N222-L224 VanDerWaalsContact C-N 3.31Å; N222-L224 PolarHBondContact O-N 3Å; L224-D226 VanDerWaalsContact C-N 3.33Å; L224-D226 PolarHBondContact O-N 3.48Å; L224-C227 WeakPolarHBondContact O-CB 3.33Å; L224-C227 PolarHBondContact O-N 3.21Å; L224-L228 PolarHBondContact O-N 3.36Å
225M59.2Low57.6Low5 Ų561.7 Ų61.73%0.02534%0.34CS..Hα-helixtrans-64.7-36.8176.3-60.5-42.6-58.800112I221 N222 C227 L228 K229 A249 I252 W264I221-M225 HydrophobicContact CG2-CG 3.71Å; I221-M225 HydrophobicContact CG2-SD 4.05Å; I221-M225 WeakPolarHBondContact O-CG 3.04Å; I221-M225 PolarHBondContact O-N 3.15Å; N222-M225 WeakPolarHBondContact O-CB 3.5Å; N222-M225 PolarHBondContact O-N 2.74Å; N222-M225 VanDerWaalsContact O-N 3.15Å; M225-C227 VanDerWaalsContact C-N 3.33Å; M225-L228 HydrophobicContact CE-CD1 4.07Å; M225-L228 PolarHBondContact O-N 2.94Å; M225-L228 HydrophobicContact SD-CD1 4.16Å; M225-K229 WeakPolarHBondContact O-CG 3.23Å; M225-K229 PolarHBondContact O-N 3.21Å; M225-K229 VanDerWaalsContact O-N 3.13Å; M225-A249 HydrophobicContact CE-CB 3.37Å; M225-I252 HydrophobicContact CE-CD1 4.39Å; M225-I252 HydrophobicContact CG-CG2 4.31Å; M225-I252 HydrophobicContact SD-CD1 3.58Å; M225-I252 VanDerWaalsContact SD-CD1 3.58Å; M225-W264 HydrophobicContact CB-CH2 3.77Å; M225-W264 HydrophobicContact CB-CZ2 3.91Å; M225-W264 HydrophobicContact CE-CH2 3.38Å; M225-W264 HydrophobicContact CE-CZ2 4.06Å; M225-W264 HydrophobicContact CE-CZ3 3.72Å; M225-W264 HydrophobicContact CG-CH2 4.47Å
226D60.1Low57Low78 Ų7863.5 Ų63.542%0.41735%0.345SS..Hα-helixtrans-68.5-28.9173.2-77.7-33000113.3N222 P223 L224 K229N222-D226 PolarHBondContact O-N 2.73Å; P223-D226 PolarHBondContact O-N 3.28Å; L224-D226 VanDerWaalsContact C-N 3.33Å; L224-D226 PolarHBondContact O-N 3.48Å; D226-K229 WeakPolarHBondContact O-CB 3.37Å; D226-K229 PolarHBondContact O-N 2.71Å; D226-K229 WeakPolarHBondContact OD1-CD 3.36Å; D226-K229 VanDerWaalsContact OD1-CE 3.29Å; D226-K229 WeakPolarHBondContact OD1-CE 3.39Å; D226-K229 IonicContact OD1-NZ 3.36Å; D226-K229 PolarHBondContact OD1-NZ 3.16Å
227C55.3Low56.6Low13 Ų1363.6 Ų63.69%0.08835%0.345CS..Hα-helixtrans-70.3-46.1172.3-146.90000111.2C173 L176 P223 L224 M225 K229 W230C173-C227 WeakPolarHBondContact CA-SG 3.38Å; C173-C227 HydrophobicContact CB-CB 4.3Å; C173-C227 WeakPolarHBondContact CB-SG 3.11Å; C173-C227 VanDerWaalsContact SG-CA 3.59Å; C173-C227 WeakPolarHBondContact SG-CB 3.47Å; C173-C227 CovalentContact SG-SG 2.04Å; C173-C227 PolarHBondContact SG-SG 2.63Å; L176-C227 VanDerWaalsContact CD1-SG 3.54Å; P223-C227 PolarHBondContact O-N 3.38Å; L224-C227 WeakPolarHBondContact O-CB 3.33Å; L224-C227 PolarHBondContact O-N 3.21Å; M225-C227 VanDerWaalsContact C-N 3.33Å; C227-K229 PolarHBondContact O-N 3.03Å; C227-K229 VanDerWaalsContact O-N 3.11Å; C227-W230 PolarHBondContact O-N 3.17Å; C227-W230 VanDerWaalsContact O-N 3.09Å
228L55.8Low56.5Low29 Ų2963.1 Ų63.115%0.15235%0.345CS..Hα-helixtrans-61.2-17.3172.7-69.2170.3000113.1L224 M225 W230 T231L224-L228 PolarHBondContact O-N 3.36Å; M225-L228 HydrophobicContact CE-CD1 4.07Å; M225-L228 PolarHBondContact O-N 2.94Å; M225-L228 HydrophobicContact SD-CD1 4.16Å; L228-W230 PolarHBondContact O-N 2.84Å; L228-T231 PolarHBondContact O-OG1 2.54Å
229K55.8Low56.1Low79 Ų7963.4 Ų63.434%0.34335%0.347SS..THydrogen-bonded Turntrans-65.6-24.6173.3-76.6177.4-173.7162.10113.5M225 D226 C227 W264 R267M225-K229 WeakPolarHBondContact O-CG 3.23Å; M225-K229 PolarHBondContact O-N 3.21Å; M225-K229 VanDerWaalsContact O-N 3.13Å; D226-K229 WeakPolarHBondContact O-CB 3.37Å; D226-K229 PolarHBondContact O-N 2.71Å; D226-K229 WeakPolarHBondContact OD1-CD 3.36Å; D226-K229 VanDerWaalsContact OD1-CE 3.29Å; D226-K229 WeakPolarHBondContact OD1-CE 3.39Å; D226-K229 IonicContact OD1-NZ 3.36Å; D226-K229 PolarHBondContact OD1-NZ 3.16Å; C227-K229 PolarHBondContact O-N 3.03Å; C227-K229 VanDerWaalsContact O-N 3.11Å; K229-W264 HydrophobicContact CG-CH2 4.32Å; K229-R267 VanDerWaalsContact CA-NH2 3.33Å; K229-R267 PolarHBondContact O-NH1 3.04Å; K229-R267 PolarHBondContact O-NH2 3.41Å
230W56.4Low55.8Low175 Ų17565.2 Ų65.266%0.66334%0.341SS*.THydrogen-bonded Turntrans-89.8-12.5-171.3-8676.8000115.4V177 C227 L228 D232V177-W230 HydrophobicContact CB-CE3 4.23Å; V177-W230 HydrophobicContact CG1-CE3 3.84Å; V177-W230 HydrophobicContact CG1-CZ3 4.04Å; V177-W230 HydrophobicContact CG2-CB 3.63Å; V177-W230 HydrophobicContact CG2-CD2 4.07Å; V177-W230 HydrophobicContact CG2-CE3 3.53Å; V177-W230 HydrophobicContact CG2-CG 4.19Å; V177-W230 HydrophobicContact CG2-CZ3 4.4Å; C227-W230 PolarHBondContact O-N 3.17Å; C227-W230 VanDerWaalsContact O-N 3.09Å; L228-W230 PolarHBondContact O-N 2.84Å; W230-D232 PolarHBondContact O-N 3.11Å
231T54.2Low55.8Low50 Ų5063.7 Ų63.731%0.30734%0.337SS..  trans-85.568.9-177.555.80000112.4L228L228-T231 PolarHBondContact O-OG1 2.54Å
232D48Very low56Low121 Ų12163.8 Ų63.865%0.64734%0.339SS*.  trans-119.884.4-178.2-171.611.6000112.4W230W230-D232 PolarHBondContact O-N 3.11Å
233K49.8Very low56Low145 Ų14564.5 Ų64.563%0.6334%0.339SS*.  trans-144.661.2178.3-72.3-171.5-178.2161.70114.6D235 S238K233-D235 VanDerWaalsContact C-N 3.3Å; K233-D235 PolarHBondContact O-N 2.97Å; K233-S238 PolarHBondContact O-OG 3.41Å
234G53Low56Low67 Ų6765.8 Ų65.869%0.69134%0.344SS*.  trans57.9-2.7137.500000123S238G234-S238 PolarHBondContact N-OG 3.17Å
235D55.9Low56.2Low59 Ų5964.9 Ų64.932%0.31634%0.34SS..SBendtrans-92.8166173.684.833.6000113.1K233 H237 S238 C239K233-D235 VanDerWaalsContact C-N 3.3Å; K233-D235 PolarHBondContact O-N 2.97Å; D235-H237 VanDerWaalsContact C-N 3.28Å; D235-H237 PolarHBondContact O-N 2.8Å; D235-H237 WeakPolarHBondContact OD1-CA 3.27Å; D235-H237 WeakPolarHBondContact OD1-CB 3.01Å; D235-H237 PolarHBondContact OD1-N 2.01Å; D235-S238 PolarHBondContact N-OG 3.48Å; D235-S238 PolarHBondContact O-N 2.85Å; D235-S238 PolarHBondContact O-OG 3.24Å; D235-S238 PolarHBondContact OD1-N 3.44Å; D235-C239 PolarHBondContact O-N 3.06Å
236S50.4Low56.5Low81 Ų8165.3 Ų65.357%0.56634%0.342SS*.Hα-helixtrans-65.1-25.4-175.654.30000114.7Y240S236-Y240 PolarHBondContact O-N 2.85Å
237H51.6Low56.7Low109 Ų10967.5 Ų67.551%0.50535%0.348SS..Hα-helixtrans-79.4-39.8174-68.376.6000110.3D235 C239 Y240 V241D235-H237 VanDerWaalsContact C-N 3.28Å; D235-H237 PolarHBondContact O-N 2.8Å; D235-H237 WeakPolarHBondContact OD1-CA 3.27Å; D235-H237 WeakPolarHBondContact OD1-CB 3.01Å; D235-H237 PolarHBondContact OD1-N 2.01Å; H237-C239 PolarHBondContact O-N 3.45Å; H237-Y240 WeakPolarHBondContact O-CA 3.24Å; H237-Y240 VanDerWaalsContact O-CB 3.29Å; H237-Y240 WeakPolarHBondContact O-CB 3.44Å; H237-Y240 PolarHBondContact O-N 3.2Å; H237-V241 PolarHBondContact O-N 3Å
238S56.6Low56.9Low27 Ų2769.4 Ų69.419%0.18936%0.357CS..Hα-helixtrans-61.4-32.8172.979.90000112.2K233 G234 D235 Y240 S242K233-S238 PolarHBondContact O-OG 3.41Å; G234-S238 PolarHBondContact N-OG 3.17Å; D235-S238 PolarHBondContact N-OG 3.48Å; D235-S238 PolarHBondContact O-N 2.85Å; D235-S238 PolarHBondContact O-OG 3.24Å; D235-S238 PolarHBondContact OD1-N 3.44Å; S238-Y240 VanDerWaalsContact C-N 3.35Å; S238-S242 VanDerWaalsContact O-CB 3.25Å; S238-S242 WeakPolarHBondContact O-CB 3.36Å; S238-S242 PolarHBondContact O-N 2.8Å; S238-S242 PolarHBondContact O-OG 3.2Å; S238-S242 VanDerWaalsContact O-OG 3.09Å
239C58.3Low57.3Low17 Ų1768 Ų6812%0.11535%0.35CS..Hα-helixtrans-65.9-33.5170.5-90.30000113.7D235 H237 K243 C271D235-C239 PolarHBondContact O-N 3.06Å; H237-C239 PolarHBondContact O-N 3.45Å; C239-K243 WeakPolarHBondContact O-CG 3.14Å; C239-K243 PolarHBondContact O-N 3.14Å; C239-K243 VanDerWaalsContact O-N 3.09Å; C239-C271 WeakPolarHBondContact CA-SG 3.25Å; C239-C271 HydrophobicContact CB-CB 3.75Å; C239-C271 WeakPolarHBondContact CB-SG 3.44Å; C239-C271 VanDerWaalsContact SG-CA 3.55Å; C239-C271 WeakPolarHBondContact SG-CB 3.44Å; C239-C271 CovalentContact SG-SG 2.04Å; C239-C271 PolarHBondContact SG-SG 3.05Å
240Y57.3Low57.8Low105 Ų10566.1 Ų66.141%0.41234%0.342SS..Hα-helixtrans-69.4-49175.3-122.8-87.5000110.8S236 H237 S238 S242 K243 I244 Y313 V317S236-Y240 PolarHBondContact O-N 2.85Å; H237-Y240 WeakPolarHBondContact O-CA 3.24Å; H237-Y240 VanDerWaalsContact O-CB 3.29Å; H237-Y240 WeakPolarHBondContact O-CB 3.44Å; H237-Y240 PolarHBondContact O-N 3.2Å; S238-Y240 VanDerWaalsContact C-N 3.35Å; Y240-S242 PolarHBondContact O-N 3.47Å; Y240-K243 PolarHBondContact O-N 3.09Å; Y240-I244 WeakPolarHBondContact O-CG1 3.37Å; Y240-I244 PolarHBondContact O-N 3.38Å; Y240-Y313 AromaticContact CD1-CE1 3.76Å; Y240-Y313 HydrophobicContact CD1-CE1 3.76Å; Y240-Y313 WeakPolarHBondContact CD1-OH 3.46Å; Y240-Y313 HydrophobicContact CE1-CD1 4.49Å; Y240-Y313 AromaticContact CE1-CE1 3.42Å; Y240-Y313 HydrophobicContact CE1-CE1 3.42Å; Y240-Y313 VanDerWaalsContact CE1-CE1 3.42Å; Y240-Y313 AromaticContact CE1-CZ 3.55Å; Y240-Y313 WeakPolarHBondContact CE1-OH 3.36Å; Y240-V317 HydrophobicContact CD1-CG2 4.44Å; Y240-V317 HydrophobicContact CE1-CG2 3.51Å
241V57.4Low58.2Low49 Ų4959.1 Ų59.130%0.29732%0.317SS..Hα-helixtrans-61.5-43.6176.8176.40000111.1F188 H237 K243 I244 A245F188-V241 HydrophobicContact CE2-CG1 4.22Å; H237-V241 PolarHBondContact O-N 3Å; V241-K243 PolarHBondContact O-N 3.03Å; V241-I244 PolarHBondContact O-N 2.85Å; V241-A245 WeakPolarHBondContact O-CB 3.45Å; V241-A245 PolarHBondContact O-N 3.07Å
242S61.2Low58.5Low14 Ų1457.6 Ų57.610%0.09831%0.307CS..Hα-helixtrans-62.5-39.5175.7-72.70000112.8S238 Y240 A245 D246S238-S242 VanDerWaalsContact O-CB 3.25Å; S238-S242 WeakPolarHBondContact O-CB 3.36Å; S238-S242 PolarHBondContact O-N 2.8Å; S238-S242 PolarHBondContact O-OG 3.2Å; S238-S242 VanDerWaalsContact O-OG 3.09Å; Y240-S242 PolarHBondContact O-N 3.47Å; S242-A245 PolarHBondContact O-N 3Å; S242-D246 VanDerWaalsContact O-CB 3.32Å; S242-D246 WeakPolarHBondContact O-CB 3.41Å; S242-D246 VanDerWaalsContact O-CG 3.26Å; S242-D246 PolarHBondContact O-N 2.92Å
243K62.9Low59.4Low77 Ų7753.3 Ų53.334%0.33528%0.284SS..Hα-helixtrans-67.2-36.6175.2-79.2-168.6172.1-169.70112.9C239 Y240 V241 K247 D272C239-K243 WeakPolarHBondContact O-CG 3.14Å; C239-K243 PolarHBondContact O-N 3.14Å; C239-K243 VanDerWaalsContact O-N 3.09Å; Y240-K243 PolarHBondContact O-N 3.09Å; V241-K243 PolarHBondContact O-N 3.03Å; K243-K247 PolarHBondContact O-N 2.84Å; K243-D272 WeakPolarHBondContact CE-OD1 3.49Å; K243-D272 IonicContact NZ-OD1 3.61Å; K243-D272 PolarHBondContact NZ-OD1 2.83Å
244I59.6Low60.2Low56 Ų5652.1 Ų52.129%0.28728%0.275SS..Hα-helixtrans-64.5-49.1171.8-65168.2000110F188 Y240 V241 K247 L248 Y313F188-I244 HydrophobicContact CZ-CG2 4.35Å; Y240-I244 WeakPolarHBondContact O-CG1 3.37Å; Y240-I244 PolarHBondContact O-N 3.38Å; V241-I244 PolarHBondContact O-N 2.85Å; I244-K247 PolarHBondContact O-N 2.86Å; I244-L248 WeakPolarHBondContact O-CB 3.38Å; I244-L248 PolarHBondContact O-N 2.94Å; I244-Y313 HydrophobicContact CD1-CD1 4.2Å; I244-Y313 HydrophobicContact CD1-CE1 3.8Å; I244-Y313 HydrophobicContact CG1-CD1 4.1Å; I244-Y313 HydrophobicContact CG1-CE1 3.61Å
245A61.6Low60.9Low6 Ų650.5 Ų50.55%0.0525%0.251CS..Hα-helixtrans-62.2-45.6-178.700000112.4V241 S242 K247 L248 A249V241-A245 WeakPolarHBondContact O-CB 3.45Å; V241-A245 PolarHBondContact O-N 3.07Å; S242-A245 PolarHBondContact O-N 3Å; A245-K247 VanDerWaalsContact C-N 3.32Å; A245-K247 PolarHBondContact O-N 2.73Å; A245-L248 PolarHBondContact O-N 3.06Å; A245-A249 WeakPolarHBondContact O-CB 3.43Å; A245-A249 PolarHBondContact O-N 2.94Å
246D65.3Low61.8Low15 Ų1548.6 Ų48.68%0.0824%0.241CC..Hα-helixtrans-60.2-40.6176.6-76-14.8000111.5S242 E250 R267 S268S242-D246 VanDerWaalsContact O-CB 3.32Å; S242-D246 WeakPolarHBondContact O-CB 3.41Å; S242-D246 VanDerWaalsContact O-CG 3.26Å; S242-D246 PolarHBondContact O-N 2.92Å; D246-E250 WeakPolarHBondContact O-CB 3.49Å; D246-E250 PolarHBondContact O-N 3.41Å; D246-R267 WeakPolarHBondContact OD1-CB 3.49Å; D246-R267 VanDerWaalsContact OD1-CD 3.31Å; D246-R267 WeakPolarHBondContact OD1-CD 3.41Å; D246-R267 WeakPolarHBondContact OD2-CB 3.35Å; D246-S268 PolarHBondContact OD2-N 3.01Å
247K64.5Low62.9Low124 Ų12448.8 Ų48.854%0.53924%0.243SC..Hα-helixtrans-72.9-40.4176.5-81.1-71.4168.2-165.60113K243 I244 A245 A249 E250 Q251K243-K247 PolarHBondContact O-N 2.84Å; I244-K247 PolarHBondContact O-N 2.86Å; A245-K247 VanDerWaalsContact C-N 3.32Å; A245-K247 PolarHBondContact O-N 2.73Å; K247-A249 VanDerWaalsContact C-N 3.28Å; K247-A249 PolarHBondContact O-N 3.39Å; K247-E250 IonicContact NZ-OE2 3.25Å; K247-E250 PolarHBondContact NZ-OE2 2.85Å; K247-E250 PolarHBondContact O-N 3.37Å; K247-Q251 WeakPolarHBondContact O-CG 3.19Å; K247-Q251 PolarHBondContact O-N 3.48Å
248L59.1Low63.3Low53 Ų5346.4 Ų46.428%0.27723%0.231SC..Hα-helixtrans-59.6-44.9173.7-144.782.3000110I244 A245 Q251 I252I244-L248 WeakPolarHBondContact O-CB 3.38Å; I244-L248 PolarHBondContact O-N 2.94Å; A245-L248 PolarHBondContact O-N 3.06Å; L248-Q251 PolarHBondContact O-N 2.9Å; L248-I252 HydrophobicContact CD2-CD1 4.13Å; L248-I252 HydrophobicContact CG-CD1 4.08Å; L248-I252 WeakPolarHBondContact O-CB 3.31Å; L248-I252 WeakPolarHBondContact O-CD1 3.43Å; L248-I252 VanDerWaalsContact O-CG1 3.27Å; L248-I252 WeakPolarHBondContact O-CG1 3.46Å; L248-I252 PolarHBondContact O-N 3.17Å
249A64.3Low63Low0 Ų054 Ų540%026%0.264CS..Hα-helixtrans-62.8-40.517700000113.1M225 A245 K247 Q251 I252 N253 W264M225-A249 HydrophobicContact CE-CB 3.37Å; A245-A249 WeakPolarHBondContact O-CB 3.43Å; A245-A249 PolarHBondContact O-N 2.94Å; K247-A249 VanDerWaalsContact C-N 3.28Å; K247-A249 PolarHBondContact O-N 3.39Å; A249-Q251 VanDerWaalsContact C-N 3.3Å; A249-Q251 PolarHBondContact O-N 2.86Å; A249-I252 PolarHBondContact O-N 3.27Å; A249-N253 WeakPolarHBondContact O-CB 3.2Å; A249-N253 PolarHBondContact O-N 3.4Å; A249-N253 PolarHBondContact O-ND2 2.91Å; A249-W264 HydrophobicContact CB-CD2 3.34Å; A249-W264 HydrophobicContact CB-CE3 3.12Å; A249-W264 HydrophobicContact CB-CG 3.99Å; A249-W264 HydrophobicContact CB-CH2 3.87Å; A249-W264 HydrophobicContact CB-CZ2 4.05Å; A249-W264 HydrophobicContact CB-CZ3 3.4Å; A249-W264 VanDerWaalsContact CB-CZ3 3.4Å
250E66.7Low62.4Low39 Ų3963.2 Ų63.218%0.18230%0.302CS..Hα-helixtrans-59.3-44.1175.6-165.1-16615300110.9D246 K247 R254D246-E250 WeakPolarHBondContact O-CB 3.49Å; D246-E250 PolarHBondContact O-N 3.41Å; K247-E250 IonicContact NZ-OE2 3.25Å; K247-E250 PolarHBondContact NZ-OE2 2.85Å; K247-E250 PolarHBondContact O-N 3.37Å; E250-R254 VanDerWaalsContact O-CG 3.25Å; E250-R254 WeakPolarHBondContact O-CG 3.38Å; E250-R254 PolarHBondContact O-N 3.04Å; E250-R254 VanDerWaalsContact O-N 3.09Å; E250-R254 IonicContact OE1-CZ 3.5Å; E250-R254 IonicContact OE1-NE 3.4Å; E250-R254 PolarHBondContact OE1-NE 2.95Å; E250-R254 IonicContact OE1-NH2 2.64Å; E250-R254 PolarHBondContact OE1-NH2 3.27Å
251Q64Low61.7Low27 Ų2761.6 Ų61.613%0.12630%0.303CS..Hα-helixtrans-69.1-40.6178.5-61-62.5-18.100112.1K247 L248 A249 R254 L255 V306K247-Q251 WeakPolarHBondContact O-CG 3.19Å; K247-Q251 PolarHBondContact O-N 3.48Å; L248-Q251 PolarHBondContact O-N 2.9Å; A249-Q251 VanDerWaalsContact C-N 3.3Å; A249-Q251 PolarHBondContact O-N 2.86Å; Q251-R254 WeakPolarHBondContact O-CB 3.16Å; Q251-R254 PolarHBondContact O-N 2.02Å; Q251-L255 WeakPolarHBondContact O-CB 3.11Å; Q251-L255 PolarHBondContact O-N 3.5Å; Q251-V306 HydrophobicContact CB-CG2 3.82Å; Q251-V306 HydrophobicContact CG-CG2 3.74Å
252I62.3Low61.3Low19 Ų1962.9 Ų62.910%0.09733%0.326CS..Hα-helixtrans-63.6-43.9175.1-75.3161.3000111.4I221 M225 L248 A249 R254 L255 C256I221-I252 HydrophobicContact CG2-CB 4.38Å; I221-I252 HydrophobicContact CG2-CD1 3.75Å; I221-I252 HydrophobicContact CG2-CG1 4.09Å; I221-I252 HydrophobicContact CG2-CG2 3.43Å; I221-I252 VanDerWaalsContact CG2-CG2 3.43Å; M225-I252 HydrophobicContact CE-CD1 4.39Å; M225-I252 HydrophobicContact CG-CG2 4.31Å; M225-I252 HydrophobicContact SD-CD1 3.58Å; M225-I252 VanDerWaalsContact SD-CD1 3.58Å; L248-I252 HydrophobicContact CD2-CD1 4.13Å; L248-I252 HydrophobicContact CG-CD1 4.08Å; L248-I252 WeakPolarHBondContact O-CB 3.31Å; L248-I252 WeakPolarHBondContact O-CD1 3.43Å; L248-I252 VanDerWaalsContact O-CG1 3.27Å; L248-I252 WeakPolarHBondContact O-CG1 3.46Å; L248-I252 PolarHBondContact O-N 3.17Å; A249-I252 PolarHBondContact O-N 3.27Å; I252-R254 VanDerWaalsContact C-N 3.33Å; I252-R254 PolarHBondContact O-N 3.1Å; I252-L255 PolarHBondContact O-N 3.45Å; I252-C256 VanDerWaalsContact O-CB 3.25Å; I252-C256 WeakPolarHBondContact O-CB 3.46Å; I252-C256 PolarHBondContact O-N 3.01Å; I252-C256 PolarHBondContact O-SG 3.46Å
253N66.1Low60.6Low31 Ų3165.1 Ų65.117%0.16634%0.342CS..Hα-helixtrans-61.7-40.7175.3-78.2-60.6000111.8A249 S257 F258 W264A249-N253 WeakPolarHBondContact O-CB 3.2Å; A249-N253 PolarHBondContact O-N 3.4Å; A249-N253 PolarHBondContact O-ND2 2.91Å; N253-S257 PolarHBondContact O-N 3.07Å; N253-F258 PolarHBondContact O-N 2.92Å; N253-F258 WeakPolarHBondContact OD1-CD2 3.34Å; N253-W264 PolarHBondContact ND2-NE1 3.41Å; N253-W264 VanDerWaalsContact ND2-NE1 3.16Å
254R67.3Low59.9Low119 Ų11962.7 Ų62.745%0.44933%0.331SS..Hα-helixtrans-62.3-43.3174.1-71.5166-179.2-115.96.6111.6E250 Q251 I252E250-R254 VanDerWaalsContact O-CG 3.25Å; E250-R254 WeakPolarHBondContact O-CG 3.38Å; E250-R254 PolarHBondContact O-N 3.04Å; E250-R254 VanDerWaalsContact O-N 3.09Å; E250-R254 IonicContact OE1-CZ 3.5Å; E250-R254 IonicContact OE1-NE 3.4Å; E250-R254 PolarHBondContact OE1-NE 2.95Å; E250-R254 IonicContact OE1-NH2 2.64Å; E250-R254 PolarHBondContact OE1-NH2 3.27Å; Q251-R254 WeakPolarHBondContact O-CB 3.16Å; Q251-R254 PolarHBondContact O-N 2.02Å; I252-R254 VanDerWaalsContact C-N 3.33Å; I252-R254 PolarHBondContact O-N 3.1Å
255L66.2Low59.4Low34 Ų3464.5 Ų64.518%0.17834%0.344CS..Hα-helixtrans-65.7-45.2178.2-170.372.1000112.1L217 Q251 I252 L303L217-L255 HydrophobicContact CD2-CD2 3.8Å; Q251-L255 WeakPolarHBondContact O-CB 3.11Å; Q251-L255 PolarHBondContact O-N 3.5Å; I252-L255 PolarHBondContact O-N 3.45Å; L255-L303 HydrophobicContact CD1-CD1 4.43Å; L255-L303 HydrophobicContact CD2-CD1 4.37Å
256C74.6Confident59.1Low18 Ų1869.5 Ų69.512%0.12237%0.37CS..Hα-helixtrans-88.4-6.6-172.4-680000115C218 I252 F258C218-C256 VanDerWaalsContact CA-SG 3.54Å; C218-C256 HydrophobicContact CB-CB 3.72Å; C218-C256 WeakPolarHBondContact CB-SG 3.48Å; C218-C256 WeakPolarHBondContact SG-CA 3.37Å; C218-C256 WeakPolarHBondContact SG-CB 3.44Å; C218-C256 CovalentContact SG-SG 2.02Å; C218-C256 PolarHBondContact SG-SG 2.94Å; I252-C256 VanDerWaalsContact O-CB 3.25Å; I252-C256 WeakPolarHBondContact O-CB 3.46Å; I252-C256 PolarHBondContact O-N 3.01Å; I252-C256 PolarHBondContact O-SG 3.46Å; C256-F258 HydrophobicContact CB-CD2 3.53Å; C256-F258 HydrophobicContact CB-CE1 4.29Å; C256-F258 HydrophobicContact CB-CE2 3.25Å; C256-F258 HydrophobicContact CB-CG 4.15Å; C256-F258 HydrophobicContact CB-CZ 3.66Å; C256-F258 PolarHBondContact O-N 2.93Å
257S74Confident58.5Low86 Ų8672.7 Ų72.760%0.60138%0.381SS*.THydrogen-bonded Turntrans56.733.1-179.6-50.70000113.5N253 E259N253-S257 PolarHBondContact O-N 3.07Å; S257-E259 PolarHBondContact O-N 2.8Å
258F60.8Low58Low59 Ų5967.9 Ų67.926%0.25936%0.363SS..  trans-63.4125.6179.7-71.2-54.1000111C218 N222 N253 C256 K260C218-F258 HydrophobicContact CB-CZ 4.08Å; N222-F258 VanDerWaalsContact CG-CZ 3.41Å; N222-F258 WeakPolarHBondContact ND2-CE1 2.82Å; N222-F258 VanDerWaalsContact ND2-CZ 3.29Å; N222-F258 WeakPolarHBondContact ND2-CZ 3.37Å; N222-F258 WeakPolarHBondContact OD1-CE2 2.98Å; N222-F258 WeakPolarHBondContact OD1-CZ 3.43Å; N253-F258 PolarHBondContact O-N 2.92Å; N253-F258 WeakPolarHBondContact OD1-CD2 3.34Å; C256-F258 HydrophobicContact CB-CD2 3.53Å; C256-F258 HydrophobicContact CB-CE1 4.29Å; C256-F258 HydrophobicContact CB-CE2 3.25Å; C256-F258 HydrophobicContact CB-CG 4.15Å; C256-F258 HydrophobicContact CB-CZ 3.66Å; C256-F258 PolarHBondContact O-N 2.93Å; F258-K260 PolarHBondContact O-N 3.17Å
259E49.2Very low57.9Low187 Ų18767.4 Ų67.487%0.87437%0.367SS*.  trans-62.7105.7175.7-73.4-165.1135.400110.7S257 T261S257-E259 PolarHBondContact O-N 2.8Å; E259-T261 PolarHBondContact O-N 3.3Å
260K45.8Very low57.4Low209 Ų20972.6 Ų72.691%0.90940%0.398SS*.  trans27.153.2164.1-75-173.4173.3178.90115.5F258 G262F258-K260 PolarHBondContact O-N 3.17Å; K260-G262 PolarHBondContact O-N 2.89Å
261T42.5Very low56.7Low71 Ų7171.2 Ų71.244%0.43639%0.393SS..  trans-64123164.157.40000106.9E259 S263E259-T261 PolarHBondContact O-N 3.3Å; T261-S263 PolarHBondContact O-N 3.25Å; T261-S263 VanDerWaalsContact O-N 3.09Å
262G48.7Very low56.3Low76 Ų7674.7 Ų74.778%0.78441%0.412SS*.THydrogen-bonded Turntrans-55116.6-159.800000113.7K260 W264K260-G262 PolarHBondContact O-N 2.89Å; G262-W264 PolarHBondContact O-N 3.08Å
263S47.6Very low55.7Low61 Ų6182.2 Ų82.243%0.42745%0.447SS..THydrogen-bonded Turntrans32.173.8163.4-171.40000115.9T261 T265 N266T261-S263 PolarHBondContact O-N 3.25Å; T261-S263 VanDerWaalsContact O-N 3.09Å; S263-T265 PolarHBondContact O-N 3.29Å; S263-T265 PolarHBondContact OG-OG1 3.32Å; S263-N266 PolarHBondContact O-N 3.25Å
264W48.8Very low54.7Low27 Ų2784.6 Ų84.610%0.10246%0.462CS..G310 helixtrans-47-37.4155.6-77.787000111.3M225 K229 A249 N253 G262 N266 R267M225-W264 HydrophobicContact CB-CH2 3.77Å; M225-W264 HydrophobicContact CB-CZ2 3.91Å; M225-W264 HydrophobicContact CE-CH2 3.38Å; M225-W264 HydrophobicContact CE-CZ2 4.06Å; M225-W264 HydrophobicContact CE-CZ3 3.72Å; M225-W264 HydrophobicContact CG-CH2 4.47Å; K229-W264 HydrophobicContact CG-CH2 4.32Å; A249-W264 HydrophobicContact CB-CD2 3.34Å; A249-W264 HydrophobicContact CB-CE3 3.12Å; A249-W264 HydrophobicContact CB-CG 3.99Å; A249-W264 HydrophobicContact CB-CH2 3.87Å; A249-W264 HydrophobicContact CB-CZ2 4.05Å; A249-W264 HydrophobicContact CB-CZ3 3.4Å; A249-W264 VanDerWaalsContact CB-CZ3 3.4Å; N253-W264 PolarHBondContact ND2-NE1 3.41Å; N253-W264 VanDerWaalsContact ND2-NE1 3.16Å; G262-W264 PolarHBondContact O-N 3.08Å; W264-N266 PolarHBondContact O-N 2.96Å; W264-R267 PolarHBondContact O-N 3.41Å
265T49Very low53.2Low93 Ų9383 Ų8357%0.57147%0.47SS*.G310 helixtrans-58.321.7173.4440000117.2S263S263-T265 PolarHBondContact O-N 3.29Å; S263-T265 PolarHBondContact OG-OG1 3.32Å
266N53.8Low51.8Low112 Ų11287.3 Ų87.360%0.59950%0.497SS*.G310 helixtrans-134.1-4.6175.3-114.81.8000115.1S263 W264 A269S263-N266 PolarHBondContact O-N 3.25Å; W264-N266 PolarHBondContact O-N 2.96Å; N266-A269 VanDerWaalsContact O-CB 3.25Å; N266-A269 WeakPolarHBondContact O-CB 3.43Å; N266-A269 PolarHBondContact O-N 3.38Å
267R53.9Low49.7Very low82 Ų8295.4 Ų95.431%0.30953%0.53SS..G310 helixtrans-68.9-42.1176.4-73.6166.7165-93.7-16.6111K229 D246 W264 A269K229-R267 VanDerWaalsContact CA-NH2 3.33Å; K229-R267 PolarHBondContact O-NH1 3.04Å; K229-R267 PolarHBondContact O-NH2 3.41Å; D246-R267 WeakPolarHBondContact OD1-CB 3.49Å; D246-R267 VanDerWaalsContact OD1-CD 3.31Å; D246-R267 WeakPolarHBondContact OD1-CD 3.41Å; D246-R267 WeakPolarHBondContact OD2-CB 3.35Å; W264-R267 PolarHBondContact O-N 3.41Å; R267-A269 PolarHBondContact O-N 3.39Å; R267-A269 VanDerWaalsContact O-N 3.11Å
268S53.6Low47.8Very low22 Ų22101.4 Ų101.415%0.15454%0.541CS..G310 helixtrans-64.6-7.2172.675.60000115.8D246 V270 C271 D272D246-S268 PolarHBondContact OD2-N 3.01Å; S268-V270 PolarHBondContact O-N 3.04Å; S268-C271 CarbonylContact O-C 3.44Å; S268-C271 VanDerWaalsContact O-CA 3.27Å; S268-C271 WeakPolarHBondContact O-CA 3.41Å; S268-C271 VanDerWaalsContact O-CB 3.23Å; S268-C271 WeakPolarHBondContact O-CB 3.29Å; S268-C271 PolarHBondContact O-N 2.64Å; S268-D272 VanDerWaalsContact O-CG 3.26Å; S268-D272 PolarHBondContact O-N 3.01Å
269A57.3Low46.3Very low44 Ų44108.3 Ų108.336%0.36457%0.574SS.*G310 helixtrans-61.1-30.1-176.400000113.3N266 R267 C271 D272N266-A269 VanDerWaalsContact O-CB 3.25Å; N266-A269 WeakPolarHBondContact O-CB 3.43Å; N266-A269 PolarHBondContact O-N 3.38Å; R267-A269 PolarHBondContact O-N 3.39Å; R267-A269 VanDerWaalsContact O-N 3.11Å; A269-C271 VanDerWaalsContact C-N 3.3Å; A269-D272 WeakPolarHBondContact CA-OD2 3.38Å; A269-D272 PolarHBondContact O-N 2.99Å
270V52.9Low45.6Very low108 Ų108102.4 Ų102.466%0.65556%0.564SS**G310 helixtrans-68.9-31.7171.8179.30000111.2S268S268-V270 PolarHBondContact O-N 3.04Å
271C52.2Low45.2Very low11 Ų11101.5 Ų101.57%0.07456%0.563CS.*G310 helixtrans-82.5-14.4178.3-530000113.5C239 S268 A269 Q273 V274C239-C271 WeakPolarHBondContact CA-SG 3.25Å; C239-C271 HydrophobicContact CB-CB 3.75Å; C239-C271 WeakPolarHBondContact CB-SG 3.44Å; C239-C271 VanDerWaalsContact SG-CA 3.55Å; C239-C271 WeakPolarHBondContact SG-CB 3.44Å; C239-C271 CovalentContact SG-SG 2.04Å; C239-C271 PolarHBondContact SG-SG 3.05Å; S268-C271 CarbonylContact O-C 3.44Å; S268-C271 VanDerWaalsContact O-CA 3.27Å; S268-C271 WeakPolarHBondContact O-CA 3.41Å; S268-C271 VanDerWaalsContact O-CB 3.23Å; S268-C271 WeakPolarHBondContact O-CB 3.29Å; S268-C271 PolarHBondContact O-N 2.64Å; A269-C271 VanDerWaalsContact C-N 3.3Å; C271-Q273 VanDerWaalsContact C-N 3.25Å; C271-Q273 PolarHBondContact O-N 2.03Å; C271-V274 WeakPolarHBondContact O-CB 3.34Å; C271-V274 PolarHBondContact O-N 2.83Å
272D56.3Low45Very low99 Ų99104.1 Ų104.153%0.52958%0.584SS.*G310 helixtrans-76.2-14-179.7-64.3-29.2000112.9K243 S268 A269K243-D272 WeakPolarHBondContact CE-OD1 3.49Å; K243-D272 IonicContact NZ-OD1 3.61Å; K243-D272 PolarHBondContact NZ-OD1 2.83Å; S268-D272 VanDerWaalsContact O-CG 3.26Å; S268-D272 PolarHBondContact O-N 3.01Å; A269-D272 WeakPolarHBondContact CA-OD2 3.38Å; A269-D272 PolarHBondContact O-N 2.99Å
273Q49.1Very low44.8Very low177 Ų177103.5 Ų103.583%0.82758%0.577SS**G310 helixtrans-84-10.6165.8-62.2-164.79.400113.5C271 S275C271-Q273 VanDerWaalsContact C-N 3.25Å; C271-Q273 PolarHBondContact O-N 2.03Å; Q273-S275 PolarHBondContact O-N 2.92Å
274V45Very low44.6Very low81 Ų81106 Ų10649%0.49159%0.59SS.*  trans-82.269.1178.5-171.30000109.5C271 V276C271-V274 WeakPolarHBondContact O-CB 3.34Å; C271-V274 PolarHBondContact O-N 2.83Å; V274-V276 HydrophobicContact CG1-CG2 4.43Å; V274-V276 PolarHBondContact O-N 3.43Å
275S37Very low44.3Very low86 Ų86108 Ų10860%0.60161%0.607SS**  trans-71.9101.4174.671.60000109.9Q273 K277Q273-S275 PolarHBondContact O-N 2.92Å; S275-K277 PolarHBondContact O-N 3.47Å
276V36.2Very low44Very low124 Ų124112.3 Ų112.375%0.75262%0.618SS**  trans-7373.6173.3-172.50000109.6V274 Y278V274-V276 HydrophobicContact CG1-CG2 4.43Å; V274-V276 PolarHBondContact O-N 3.43Å; V276-Y278 VanDerWaalsContact C-N 3.35Å; V276-Y278 PolarHBondContact O-N 2.62Å; V276-Y278 VanDerWaalsContact O-N 3.1Å
277K30.1Very low43.7Very low189 Ų189113.2 Ų113.282%0.82261%0.614SS**  trans-78.883.6170-79.8-173.2176.2176.80109.6S275S275-K277 PolarHBondContact O-N 3.47Å
278Y33.1Very low43.2Very low211 Ų211111.9 Ų111.983%0.82763%0.626SS**  trans-98.6117.4168.7-135.2-94.4000110.2V276 G280V276-Y278 VanDerWaalsContact C-N 3.35Å; V276-Y278 PolarHBondContact O-N 2.62Å; V276-Y278 VanDerWaalsContact O-N 3.1Å; Y278-G280 PolarHBondContact O-N 3.06Å
279Q30.2Very low42.9Very low205 Ų205120.2 Ų120.296%0.95866%0.663SS**  trans-84.996172.5-76.1-178.1-41.900109.2
280G34.8Very low42.2Very low63 Ų63125.1 Ų125.165%0.64968%0.683SS**  trans-147.8147176.300000110.5Y278Y278-G280 PolarHBondContact O-N 3.06Å
281Q36Very low41.7Very low190 Ų190126.8 Ų126.889%0.88869%0.685SS**SBendtrans-82.2141.2-168.6-70.5175.6-25.500113.3
282S39.7Very low41.2Very low126 Ų126132.5 Ų132.588%0.88172%0.72SS**SBendtrans67.9121.7174.169.90000117.5
283G43.5Very low40.4Very low62 Ų62130 Ų13064%0.63971%0.707SS**  trans9766.8167.600000116.2C285G283-C285 PolarHBondContact O-N 2.8Å
284T44.2Very low40.1Very low115 Ų115128.3 Ų128.371%0.70670%0.703SS**  trans-77.3115.5165.546.10000111.1F286T284-F286 PolarHBondContact O-N 3.02Å; T284-F286 WeakPolarHBondContact OG1-CD2 3.27Å
285C43.2Very low40Very low67 Ų67133.5 Ų133.545%0.45372%0.721SS.*  trans-65.693.7164.1-67.90000110.1G283 Y287 C316G283-C285 PolarHBondContact O-N 2.8Å; C285-Y287 PolarHBondContact O-N 2.78Å; C285-C316 HydrophobicContact CB-CB 4.26Å; C285-C316 WeakPolarHBondContact CB-SG 3.18Å; C285-C316 WeakPolarHBondContact SG-CB 3.45Å; C285-C316 CovalentContact SG-SG 2.05Å; C285-C316 PolarHBondContact SG-SG 3.42Å
286F42.6Very low40Very low184 Ų184134.3 Ų134.381%0.80773%0.727SS**  trans-82.8109.3171.4-99.2-87000110.4T284T284-F286 PolarHBondContact O-N 3.02Å; T284-F286 WeakPolarHBondContact OG1-CD2 3.27Å
287Y46.2Very low40.1Very low132 Ų132130.8 Ų130.852%0.51871%0.711SS.*  trans-87.7110.2161.1-114.2-100.2000108.4C285 I309 Y313C285-Y287 PolarHBondContact O-N 2.78Å; Y287-I309 WeakPolarHBondContact OH-CG2 3.46Å; Y287-I309 PolarHBondContact OH-O 3.34Å; Y287-Y313 AromaticContact CE2-CD2 3.79Å; Y287-Y313 HydrophobicContact CE2-CD2 3.79Å; Y287-Y313 HydrophobicContact CE2-CE2 4.49Å; Y287-Y313 AromaticContact CZ-CD2 3.97Å
288G44.6Very low41.2Very low54 Ų54127.1 Ų127.156%0.55770%0.695SS**  trans-83.7138.1173.200000111.4D290G288-D290 PolarHBondContact O-N 2.71Å
289E45.9Very low42.6Very low197 Ų197118.5 Ų118.592%0.92167%0.666SS**THydrogen-bonded Turntrans-71.3-12-179.6-66.1-177.6120.500113.7M291E289-M291 PolarHBondContact O-N 2.87Å
290D43.2Very low44.1Very low147 Ų147115.7 Ų115.779%0.78665%0.646SS**THydrogen-bonded Turntrans-81.16.1-163.5-67.9-44.8000116.9G288 T292G288-D290 PolarHBondContact O-N 2.71Å; D290-T292 PolarHBondContact O-N 3.26Å
291M43.7Very low45.5Very low142 Ų142119.7 Ų119.770%0.765%0.648SS**  trans-75.672.6176.3-70-164.8-169.400112.4E289 L293E289-M291 PolarHBondContact O-N 2.87Å; M291-L293 PolarHBondContact O-N 2.68Å; M291-L293 VanDerWaalsContact O-N 3.07Å
292T40.5Very low46.8Very low132 Ų132112.4 Ų112.481%0.8161%0.614SS**  trans-74.390.8172.640.60000111D290 N294D290-T292 PolarHBondContact O-N 3.26Å; T292-N294 PolarHBondContact O-N 3.39Å
293L38.9Very low47.8Very low47 Ų47109.2 Ų109.225%0.24659%0.587CS.*  trans-58.6118.1171.5-81.1156.8000110.7M291M291-L293 PolarHBondContact O-N 2.68Å; M291-L293 VanDerWaalsContact O-N 3.07Å
294N44.4Very low49.4Very low140 Ų140106.9 Ų106.975%0.74956%0.56SS**  trans-72.4142.8-174.2-144.4-7000111.2T292 S296T292-N294 PolarHBondContact O-N 3.39Å; N294-S296 PolarHBondContact O-N 2.87Å
295H43Very low50.7Low190 Ų190102.6 Ų102.688%0.8854%0.535SS*.SBendtrans-70.71.9-160.6-97.7-71.9000117.2
296S37.1Very low51.8Low104 Ų104101.1 Ų101.173%0.72752%0.524SS*.  trans-120.475-168.464.40000114.1N294N294-S296 PolarHBondContact O-N 2.87Å
297A37.5Very low53.1Low49 Ų4993.1 Ų93.141%0.40549%0.49SS..  trans176.8137.5137.300000112.3S299A297-S299 WeakPolarHBondContact CB-OG 3.35Å; A297-S299 PolarHBondContact O-N 3.04Å; A297-S299 VanDerWaalsContact O-N 3.11Å
298K53.7Low54.6Low112 Ų11289.5 Ų89.549%0.48748%0.477SS..  trans-80.648.9160.1-64-177.6174.4-173.10110.1
299S61.8Low55.9Low31 Ų3189.2 Ų89.222%0.21746%0.462CS..SBendtrans-97.7160-171.462.50000113.2A297 E301 H302A297-S299 WeakPolarHBondContact CB-OG 3.35Å; A297-S299 PolarHBondContact O-N 3.04Å; A297-S299 VanDerWaalsContact O-N 3.11Å; S299-E301 PolarHBondContact O-N 3.34Å; S299-E301 VanDerWaalsContact O-N 3.13Å; S299-E301 PolarHBondContact OG-OE2 3.49Å; S299-H302 WeakPolarHBondContact O-CB 3Å; S299-H302 PolarHBondContact O-N 2.97Å
300R61.8Low57.1Low146 Ų14681.4 Ų81.455%0.55143%0.432SS*.Hα-helixtrans-47.7-34.4169.3-167.8173101.9-164.55.7112.7H302 L303 C304 L347 S348R300-H302 VanDerWaalsContact C-N 3.26Å; R300-H302 PolarHBondContact O-N 3.04Å; R300-L303 PolarHBondContact O-N 2.63Å; R300-C304 PolarHBondContact O-N 2.81Å; R300-C304 PolarHBondContact O-SG 2.87Å; R300-L347 WeakPolarHBondContact CD-O 3.23Å; R300-L347 PolarHBondContact NE-O 2.92Å; R300-S348 PolarHBondContact NH2-O 2.99Å
301E63.9Low58.6Low146 Ų14676 Ų7668%0.68240%0.402SS*.Hα-helixtrans-58-34.9177.2-61165.1117.100113.1S299 C304 S305S299-E301 PolarHBondContact O-N 3.34Å; S299-E301 VanDerWaalsContact O-N 3.13Å; S299-E301 PolarHBondContact OG-OE2 3.49Å; E301-C304 PolarHBondContact O-N 2.88Å; E301-S305 WeakPolarHBondContact O-CB 3.43Å; E301-S305 PolarHBondContact O-N 3.19Å
302H63.5Low60.1Low37 Ų3772.8 Ų72.817%0.17138%0.384CS..Hα-helixtrans-67.6-43.9179.9-130.496.1000111.1S299 R300 S305 V306S299-H302 WeakPolarHBondContact O-CB 3Å; S299-H302 PolarHBondContact O-N 2.97Å; R300-H302 VanDerWaalsContact C-N 3.26Å; R300-H302 PolarHBondContact O-N 3.04Å; H302-S305 WeakPolarHBondContact O-CB 2.95Å; H302-S305 PolarHBondContact O-N 2.04Å; H302-V306 WeakPolarHBondContact O-CG2 3.44Å; H302-V306 PolarHBondContact O-N 3.16Å
303L60.1Low61Low59 Ų5969 Ų6931%0.30936%0.355SS..Hα-helixtrans-63-43.5172.4-104.791.7000111.2L255 R300 S305 V306 I307 L347L255-L303 HydrophobicContact CD1-CD1 4.43Å; L255-L303 HydrophobicContact CD2-CD1 4.37Å; R300-L303 PolarHBondContact O-N 2.63Å; L303-S305 VanDerWaalsContact C-N 3.31Å; L303-S305 PolarHBondContact O-N 3.37Å; L303-V306 PolarHBondContact O-N 3.34Å; L303-V306 VanDerWaalsContact O-N 3.13Å; L303-I307 VanDerWaalsContact O-CD1 3.31Å; L303-I307 WeakPolarHBondContact O-CD1 3.1Å; L303-I307 VanDerWaalsContact O-CG1 3.32Å; L303-I307 WeakPolarHBondContact O-CG1 3.46Å; L303-I307 PolarHBondContact O-N 2.89Å; L303-L347 HydrophobicContact CB-CD1 4.34Å; L303-L347 HydrophobicContact CD2-CD1 3.57Å; L303-L347 HydrophobicContact CD2-CD2 4.16Å
304C76.8Confident62.5Low13 Ų1367.7 Ų67.79%0.08835%0.349CS..Hα-helixtrans-60.5-39.6178.3-64.60000112.7R300 E301 I307 E308 C349R300-C304 PolarHBondContact O-N 2.81Å; R300-C304 PolarHBondContact O-SG 2.87Å; E301-C304 PolarHBondContact O-N 2.88Å; C304-I307 PolarHBondContact O-N 3.36Å; C304-E308 WeakPolarHBondContact O-CB 3.42Å; C304-E308 PolarHBondContact O-N 3.21Å; C304-C349 WeakPolarHBondContact CA-SG 3.35Å; C304-C349 HydrophobicContact CB-CB 3.64Å; C304-C349 WeakPolarHBondContact CB-SG 3.22Å; C304-C349 WeakPolarHBondContact SG-CA 3.32Å; C304-C349 WeakPolarHBondContact SG-CB 3.38Å; C304-C349 CovalentContact SG-SG 2.04Å; C304-C349 PolarHBondContact SG-SG 3.47Å
305S72.3Confident63.6Low26 Ų2664.2 Ų64.218%0.18233%0.33CS..Hα-helixtrans-58.2-47172168.40000111.8E301 H302 L303 I307 E308 I309E301-S305 WeakPolarHBondContact O-CB 3.43Å; E301-S305 PolarHBondContact O-N 3.19Å; H302-S305 WeakPolarHBondContact O-CB 2.95Å; H302-S305 PolarHBondContact O-N 2.04Å; L303-S305 VanDerWaalsContact C-N 3.31Å; L303-S305 PolarHBondContact O-N 3.37Å; S305-I307 VanDerWaalsContact C-N 3.34Å; S305-I307 PolarHBondContact O-N 2.73Å; S305-E308 PolarHBondContact O-N 3.44Å; S305-I309 WeakPolarHBondContact O-CB 3.24Å; S305-I309 WeakPolarHBondContact O-CD1 3.48Å; S305-I309 WeakPolarHBondContact O-CG1 3.38Å; S305-I309 PolarHBondContact O-N 2.68Å
306V66.7Low64.7Low35 Ų3556.1 Ų56.121%0.21229%0.294CS..Hα-helixtrans-62.9-40.8178.7176.60000111.7Q251 H302 L303 I309 A310Q251-V306 HydrophobicContact CB-CG2 3.82Å; Q251-V306 HydrophobicContact CG-CG2 3.74Å; H302-V306 WeakPolarHBondContact O-CG2 3.44Å; H302-V306 PolarHBondContact O-N 3.16Å; L303-V306 PolarHBondContact O-N 3.34Å; L303-V306 VanDerWaalsContact O-N 3.13Å; V306-I309 PolarHBondContact O-N 3.44Å; V306-A310 PolarHBondContact O-N 2.9Å
307I70.5Confident65.9Low17 Ų1752.6 Ų52.69%0.08727%0.269CS..Hα-helixtrans-66.6-43.3177.7-65.3153.5000111.1L303 C304 S305 I309 A310 Q311 V343 Q344 L347L303-I307 VanDerWaalsContact O-CD1 3.31Å; L303-I307 WeakPolarHBondContact O-CD1 3.1Å; L303-I307 VanDerWaalsContact O-CG1 3.32Å; L303-I307 WeakPolarHBondContact O-CG1 3.46Å; L303-I307 PolarHBondContact O-N 2.89Å; C304-I307 PolarHBondContact O-N 3.36Å; S305-I307 VanDerWaalsContact C-N 3.34Å; S305-I307 PolarHBondContact O-N 2.73Å; I307-I309 VanDerWaalsContact C-N 3.32Å; I307-I309 PolarHBondContact O-N 3.43Å; I307-A310 PolarHBondContact O-N 3.09Å; I307-Q311 WeakPolarHBondContact O-CB 3.39Å; I307-Q311 PolarHBondContact O-N 3.26Å; I307-V343 HydrophobicContact CD1-CG1 3.68Å; I307-V343 HydrophobicContact CG1-CG1 4.08Å; I307-Q344 HydrophobicContact CG2-CB 3.88Å; I307-Q344 HydrophobicContact CG2-CG 4.27Å; I307-L347 HydrophobicContact CD1-CD1 3.39Å
308E76.6Confident67.1Low55 Ų5552.8 Ų52.826%0.25727%0.267SS..Hα-helixtrans-64.3-37.3177.6-163.1-166.9155.300111.9C304 S305 Q311 K312C304-E308 WeakPolarHBondContact O-CB 3.42Å; C304-E308 PolarHBondContact O-N 3.21Å; S305-E308 PolarHBondContact O-N 3.44Å; E308-Q311 PolarHBondContact O-N 3.05Å; E308-K312 VanDerWaalsContact O-CG 3.31Å; E308-K312 WeakPolarHBondContact O-CG 3.05Å; E308-K312 PolarHBondContact O-N 2.93Å; E308-K312 VanDerWaalsContact OE1-CE 3.25Å; E308-K312 WeakPolarHBondContact OE1-CE 3.43Å; E308-K312 IonicContact OE1-NZ 2.69Å; E308-K312 PolarHBondContact OE1-NZ 3.05Å
309I72.1Confident67.5Low48 Ų4853.7 Ų53.725%0.24628%0.276CS..Hα-helixtrans-63.9-46.6172.7-71.5167.2000110.5Y287 S305 V306 I307 Q311 Y313Y287-I309 WeakPolarHBondContact OH-CG2 3.46Å; Y287-I309 PolarHBondContact OH-O 3.34Å; S305-I309 WeakPolarHBondContact O-CB 3.24Å; S305-I309 WeakPolarHBondContact O-CD1 3.48Å; S305-I309 WeakPolarHBondContact O-CG1 3.38Å; S305-I309 PolarHBondContact O-N 2.68Å; V306-I309 PolarHBondContact O-N 3.44Å; I307-I309 VanDerWaalsContact C-N 3.32Å; I307-I309 PolarHBondContact O-N 3.43Å; I309-Q311 VanDerWaalsContact C-N 3.35Å; I309-Q311 PolarHBondContact O-N 3.43Å; I309-Y313 WeakPolarHBondContact O-CB 3.48Å; I309-Y313 PolarHBondContact O-N 2.66Å; I309-Y313 VanDerWaalsContact O-N 3.11Å
310A70.6Confident67.2Low34 Ų3457.5 Ų57.528%0.28129%0.291SS..Hα-helixtrans-63.1-39.9177.200000112.3V306 I307 Y313 L314 T340V306-A310 PolarHBondContact O-N 2.9Å; I307-A310 PolarHBondContact O-N 3.09Å; A310-Y313 WeakPolarHBondContact O-CB 3.35Å; A310-Y313 PolarHBondContact O-N 3.48Å; A310-L314 WeakPolarHBondContact O-CG 3.48Å; A310-L314 PolarHBondContact O-N 2.98Å; A310-T340 HydrophobicContact CB-CG2 4.24Å
311Q76Confident66.9Low33 Ų3354.1 Ų54.115%0.15428%0.281CS..Hα-helixtrans-65.4-48.1179-162.8169.14500111.5I307 E308 I309 Y313 L314 D315I307-Q311 WeakPolarHBondContact O-CB 3.39Å; I307-Q311 PolarHBondContact O-N 3.26Å; E308-Q311 PolarHBondContact O-N 3.05Å; I309-Q311 VanDerWaalsContact C-N 3.35Å; I309-Q311 PolarHBondContact O-N 3.43Å; Q311-Y313 PolarHBondContact O-N 3.41Å; Q311-L314 PolarHBondContact O-N 3.47Å; Q311-L314 VanDerWaalsContact O-N 3.14Å; Q311-D315 VanDerWaalsContact O-CG 3.31Å; Q311-D315 PolarHBondContact O-N 3.31Å
312K73.4Confident65.8Low74 Ų7450.4 Ų50.432%0.32227%0.271SS..Hα-helixtrans-57.6-33.2172.8-73.1168.6-175.5167.20113E308 C316E308-K312 VanDerWaalsContact O-CG 3.31Å; E308-K312 WeakPolarHBondContact O-CG 3.05Å; E308-K312 PolarHBondContact O-N 2.93Å; E308-K312 VanDerWaalsContact OE1-CE 3.25Å; E308-K312 WeakPolarHBondContact OE1-CE 3.43Å; E308-K312 IonicContact OE1-NZ 2.69Å; E308-K312 PolarHBondContact OE1-NZ 3.05Å; K312-C316 PolarHBondContact O-N 3.38Å
313Y61.4Low65Low52 Ų5252.3 Ų52.320%0.20429%0.293CS..Hα-helixtrans-71.4-46176.4-158.8-97000111.6Y240 I244 Y287 I309 A310 Q311 C316 V317Y240-Y313 AromaticContact CD1-CE1 3.76Å; Y240-Y313 HydrophobicContact CD1-CE1 3.76Å; Y240-Y313 WeakPolarHBondContact CD1-OH 3.46Å; Y240-Y313 HydrophobicContact CE1-CD1 4.49Å; Y240-Y313 AromaticContact CE1-CE1 3.42Å; Y240-Y313 HydrophobicContact CE1-CE1 3.42Å; Y240-Y313 VanDerWaalsContact CE1-CE1 3.42Å; Y240-Y313 AromaticContact CE1-CZ 3.55Å; Y240-Y313 WeakPolarHBondContact CE1-OH 3.36Å; I244-Y313 HydrophobicContact CD1-CD1 4.2Å; I244-Y313 HydrophobicContact CD1-CE1 3.8Å; I244-Y313 HydrophobicContact CG1-CD1 4.1Å; I244-Y313 HydrophobicContact CG1-CE1 3.61Å; Y287-Y313 AromaticContact CE2-CD2 3.79Å; Y287-Y313 HydrophobicContact CE2-CD2 3.79Å; Y287-Y313 HydrophobicContact CE2-CE2 4.49Å; Y287-Y313 AromaticContact CZ-CD2 3.97Å; I309-Y313 WeakPolarHBondContact O-CB 3.48Å; I309-Y313 PolarHBondContact O-N 2.66Å; I309-Y313 VanDerWaalsContact O-N 3.11Å; A310-Y313 WeakPolarHBondContact O-CB 3.35Å; A310-Y313 PolarHBondContact O-N 3.48Å; Q311-Y313 PolarHBondContact O-N 3.41Å; Y313-C316 PolarHBondContact O-N 3.36Å; Y313-V317 HydrophobicContact CD1-CG2 4.35Å; Y313-V317 HydrophobicContact CE1-CG2 4.36Å; Y313-V317 WeakPolarHBondContact O-CG2 3.01Å; Y313-V317 PolarHBondContact O-N 2.86Å
314L68.8Low63.9Low21 Ų2156 Ų5611%0.1131%0.314CS..Hα-helixtrans-61.2-42.3174.7-70.5168.6000112.3A310 Q311 C316 V317 S318 L333 L336 L337 T340A310-L314 WeakPolarHBondContact O-CG 3.48Å; A310-L314 PolarHBondContact O-N 2.98Å; Q311-L314 PolarHBondContact O-N 3.47Å; Q311-L314 VanDerWaalsContact O-N 3.14Å; L314-C316 PolarHBondContact O-N 3.47Å; L314-V317 PolarHBondContact O-N 3.42Å; L314-S318 PolarHBondContact O-N 3.09Å; L314-L333 HydrophobicContact CD2-CD1 3.9Å; L314-L333 HydrophobicContact CD2-CG 4.46Å; L314-L336 HydrophobicContact CD1-CB 3.95Å; L314-L336 HydrophobicContact CD2-CB 3.78Å; L314-L336 HydrophobicContact CD2-CD1 3.88Å; L314-L336 HydrophobicContact CD2-CG 4.42Å; L314-L337 HydrophobicContact CB-CD2 3.84Å; L314-L337 HydrophobicContact CB-CG 4.17Å; L314-L337 HydrophobicContact CD1-CD2 4.49Å; L314-T340 HydrophobicContact CD1-CG2 3.84Å
315D69.2Low62Low66 Ų6658.2 Ų58.235%0.35333%0.328SS..Hα-helixtrans-58.7-47175.5-69.6-29.9000111Q311 V317 S318 L319 L337Q311-D315 VanDerWaalsContact O-CG 3.31Å; Q311-D315 PolarHBondContact O-N 3.31Å; D315-V317 PolarHBondContact O-N 3.46Å; D315-S318 PolarHBondContact O-N 2.96Å; D315-S318 PolarHBondContact O-OG 3.12Å; D315-L319 WeakPolarHBondContact O-CG 3.26Å; D315-L319 PolarHBondContact O-N 2.86Å; D315-L319 VanDerWaalsContact O-N 3.16Å; D315-L337 WeakPolarHBondContact OD1-CD2 3.32Å
316C65.8Low60.6Low20 Ų2061.9 Ų61.914%0.13535%0.349CS..Hα-helixtrans-61.4-39.8175.8178.60000112.7C285 K312 Y313 L314 H320C285-C316 HydrophobicContact CB-CB 4.26Å; C285-C316 WeakPolarHBondContact CB-SG 3.18Å; C285-C316 WeakPolarHBondContact SG-CB 3.45Å; C285-C316 CovalentContact SG-SG 2.05Å; C285-C316 PolarHBondContact SG-SG 3.42Å; K312-C316 PolarHBondContact O-N 3.38Å; Y313-C316 PolarHBondContact O-N 3.36Å; L314-C316 PolarHBondContact O-N 3.47Å; C316-H320 PolarHBondContact O-CD2 3.3Å
317V60.7Low59.3Low31 Ų3168.6 Ų68.619%0.18838%0.378CS..Hα-helixtrans-66-40175.3175.30000111.1Y240 Y313 L314 D315 L319 H320 E321 L333Y240-V317 HydrophobicContact CD1-CG2 4.44Å; Y240-V317 HydrophobicContact CE1-CG2 3.51Å; Y313-V317 HydrophobicContact CD1-CG2 4.35Å; Y313-V317 HydrophobicContact CE1-CG2 4.36Å; Y313-V317 WeakPolarHBondContact O-CG2 3.01Å; Y313-V317 PolarHBondContact O-N 2.86Å; L314-V317 PolarHBondContact O-N 3.42Å; D315-V317 PolarHBondContact O-N 3.46Å; V317-L319 VanDerWaalsContact C-N 3.28Å; V317-L319 PolarHBondContact O-N 3.22Å; V317-H320 CarbonylContact O-C 3.48Å; V317-H320 PolarHBondContact O-N 2.99Å; V317-E321 PolarHBondContact O-N 3.19Å; V317-E321 VanDerWaalsContact O-N 3.13Å; V317-L333 HydrophobicContact CB-CD1 4.12Å; V317-L333 HydrophobicContact CB-CD2 4.38Å; V317-L333 HydrophobicContact CG1-CD1 3.59Å; V317-L333 HydrophobicContact CG1-CD2 4.07Å
318S63.8Low57.9Low52 Ų5272.8 Ų72.836%0.36440%0.404SS..Hα-helixtrans-62.9-35.7-179.580.60000112.6L314 D315 H320L314-S318 PolarHBondContact O-N 3.09Å; D315-S318 PolarHBondContact O-N 2.96Å; D315-S318 PolarHBondContact O-OG 3.12Å; S318-H320 PolarHBondContact O-N 3.42Å
319L62Low56.1Low132 Ų13274.1 Ų74.169%0.69143%0.433SS*.THydrogen-bonded Turntrans-70.7-9.2176.2-73.6163000113.1D315 V317D315-L319 WeakPolarHBondContact O-CG 3.26Å; D315-L319 PolarHBondContact O-N 2.86Å; D315-L319 VanDerWaalsContact O-N 3.16Å; V317-L319 VanDerWaalsContact C-N 3.28Å; V317-L319 PolarHBondContact O-N 3.22Å
320H56.3Low54.8Low111 Ų11178 Ų7851%0.51445%0.454SS..THydrogen-bonded Turntrans-130.38.2-170.5-64.6-17.3000113.9C316 V317 S318 S322C316-H320 PolarHBondContact O-CD2 3.3Å; V317-H320 CarbonylContact O-C 3.48Å; V317-H320 PolarHBondContact O-N 2.99Å; S318-H320 PolarHBondContact O-N 3.42Å; H320-S322 PolarHBondContact O-N 2.7Å
321E53.7Low53.9Low75 Ų7578.6 Ų78.635%0.3546%0.456SS..  trans-61.1126.6171.7-82.2-166.5154.600111.3V317 L333V317-E321 PolarHBondContact O-N 3.19Å; V317-E321 VanDerWaalsContact O-N 3.13Å; E321-L333 HydrophobicContact CG-CD2 4.5Å
322S42.4Very low53Low67 Ų6778.8 Ų78.847%0.46946%0.461SS..  trans-72.3147.9172.480.80000110.7H320 N324 C325H320-S322 PolarHBondContact O-N 2.7Å; S322-N324 PolarHBondContact O-N 3.48Å; S322-C325 PolarHBondContact O-N 3.49Å
323A45Very low52.1Low78 Ų7876 Ų7665%0.64545%0.45SS*.THydrogen-bonded Turntrans-55.7-14.7-179.300000115.2
324N38.5Very low52Low137 Ų13777.9 Ų77.973%0.73347%0.467SS*.THydrogen-bonded Turntrans-75.2-21.3176.2-68.8-13.8000113.8S322S322-N324 PolarHBondContact O-N 3.48Å
325C37.3Very low51.4Low59 Ų5980.8 Ų80.840%0.39948%0.478SS..THydrogen-bonded Turntrans-78.4-23.5174.7-63.10000112.3S322 Q327S322-C325 PolarHBondContact O-N 3.49Å; C325-Q327 VanDerWaalsContact C-N 3.31Å; C325-Q327 PolarHBondContact O-N 3.2Å
326V41.6Very low50.8Low102 Ų10278.8 Ų78.862%0.61847%0.468SS*.THydrogen-bonded Turntrans-75.8-14.6-173.4-175.30000113.2
327Q39.6Very low51Low176 Ų17679.9 Ų79.982%0.82247%0.472SS*.THydrogen-bonded Turntrans-83.2-8.3-177.7-69.5-163.3-12.700114.9C325C325-Q327 VanDerWaalsContact C-N 3.31Å; C325-Q327 PolarHBondContact O-N 3.2Å
328V41.7Very low51.1Low105 Ų10582.2 Ų82.264%0.63649%0.489SS*.SBendtrans-107.7123.2168.1-173.30000106.3D330V328-D330 PolarHBondContact O-N 2.92Å
329G39.4Very low50.7Low83 Ų8380.1 Ų80.186%0.85647%0.474SS*.SBendtrans-65.76.3-166.300000117
330D44.2Very low50.8Low131 Ų13174.9 Ų74.970%0.70145%0.448SS*.  trans-11272.9-179.9-71.3-52.1000110.8V328 S332V328-D330 PolarHBondContact O-N 2.92Å; D330-S332 PolarHBondContact O-N 2.93Å; D330-S332 PolarHBondContact O-OG 3.47Å
331S50.4Low51.4Low46 Ų4673.5 Ų73.532%0.32244%0.44SS..  trans-68.988.2161.7710000108L333 T334S331-L333 PolarHBondContact O-N 2.88Å; S331-T334 WeakPolarHBondContact O-CB 3.48Å; S331-T334 PolarHBondContact O-N 3.22Å; S331-T334 PolarHBondContact O-OG1 3Å; S331-T334 PolarHBondContact OG-OG1 3.25Å
332S57.3Low51.8Low36 Ų3673.2 Ų73.225%0.25244%0.44SS..Hα-helixtrans-60.5-12.7-179.1-540000111.9L185 D330 F335 L336L185-S332 VanDerWaalsContact CB-CB 3.45Å; D330-S332 PolarHBondContact O-N 2.93Å; D330-S332 PolarHBondContact O-OG 3.47Å; S332-F335 WeakPolarHBondContact O-CB 3.37Å; S332-F335 PolarHBondContact O-N 3Å; S332-L336 WeakPolarHBondContact O-CB 3.47Å; S332-L336 WeakPolarHBondContact O-CG 3.33Å; S332-L336 PolarHBondContact O-N 3.41Å
333L56Low52.7Low17 Ų1771.2 Ų71.29%0.08943%0.425CS..Hα-helixtrans-60.8-39.8166.4-14881.5000113.4L314 V317 E321 S331 F335 L336 L337L314-L333 HydrophobicContact CD2-CD1 3.9Å; L314-L333 HydrophobicContact CD2-CG 4.46Å; V317-L333 HydrophobicContact CB-CD1 4.12Å; V317-L333 HydrophobicContact CB-CD2 4.38Å; V317-L333 HydrophobicContact CG1-CD1 3.59Å; V317-L333 HydrophobicContact CG1-CD2 4.07Å; E321-L333 HydrophobicContact CG-CD2 4.5Å; S331-L333 PolarHBondContact O-N 2.88Å; L333-F335 VanDerWaalsContact C-N 3.32Å; L333-L336 PolarHBondContact O-N 2.82Å; L333-L337 WeakPolarHBondContact O-CB 3.29Å; L333-L337 WeakPolarHBondContact O-CG 3.03Å; L333-L337 PolarHBondContact O-N 2.93Å
334T58.1Low54Low90 Ų9068.1 Ų68.155%0.55240%0.397SS*.Hα-helixtrans-64.9-39.8175.6-53.30000110.6S331 L337 S338S331-T334 WeakPolarHBondContact O-CB 3.48Å; S331-T334 PolarHBondContact O-N 3.22Å; S331-T334 PolarHBondContact O-OG1 3Å; S331-T334 PolarHBondContact OG-OG1 3.25Å; T334-L337 PolarHBondContact O-N 3.31Å; T334-S338 WeakPolarHBondContact O-CB 3.37Å; T334-S338 PolarHBondContact O-N 2.84Å
335F56.3Low55.4Low82 Ų8268.8 Ų68.836%0.3639%0.394SS..Hα-helixtrans-64.2-47.5172.6-177.7-100.1000111.4R189 S332 L333 L337 S338 L339R189-F335 HydrophobicContact CB-CE1 4.27Å; R189-F335 HydrophobicContact CG-CE1 3.84Å; R189-F335 HydrophobicContact CG-CZ 3.98Å; S332-F335 WeakPolarHBondContact O-CB 3.37Å; S332-F335 PolarHBondContact O-N 3Å; L333-F335 VanDerWaalsContact C-N 3.32Å; F335-L337 VanDerWaalsContact C-N 3.34Å; F335-L337 PolarHBondContact O-N 3.12Å; F335-S338 WeakPolarHBondContact O-CB 3.33Å; F335-S338 PolarHBondContact O-N 2.03Å; F335-L339 HydrophobicContact CD1-CD1 4.33Å; F335-L339 HydrophobicContact CE1-CD1 3.53Å; F335-L339 HydrophobicContact CE2-CD1 4.34Å; F335-L339 HydrophobicContact CZ-CD1 3.55Å; F335-L339 WeakPolarHBondContact O-CB 3.13Å; F335-L339 PolarHBondContact O-N 3.45Å
336L57.1Low56.4Low24 Ų2468.5 Ų68.513%0.12639%0.39CS..Hα-helixtrans-59.3-38.8175.7-77.6170.5000113.5L185 I192 L314 S332 L333 L339 T340L185-L336 HydrophobicContact CD2-CD1 3.38Å; L185-L336 HydrophobicContact CD2-CG 4.39Å; I192-L336 HydrophobicContact CD1-CD2 3.39Å; L314-L336 HydrophobicContact CD1-CB 3.95Å; L314-L336 HydrophobicContact CD2-CB 3.78Å; L314-L336 HydrophobicContact CD2-CD1 3.88Å; L314-L336 HydrophobicContact CD2-CG 4.42Å; S332-L336 WeakPolarHBondContact O-CB 3.47Å; S332-L336 WeakPolarHBondContact O-CG 3.33Å; S332-L336 PolarHBondContact O-N 3.41Å; L333-L336 PolarHBondContact O-N 2.82Å; L336-L339 PolarHBondContact O-N 2.83Å; L336-T340 PolarHBondContact O-N 3.15Å; L336-T340 PolarHBondContact O-OG1 3.29Å
337L69.1Low57.4Low44 Ų4465.6 Ų65.623%0.2337%0.371CS..Hα-helixtrans-65.5-44.8173.6-80.5164.2000111.7L314 D315 L333 T334 F335 L339 T340 F341L314-L337 HydrophobicContact CB-CD2 3.84Å; L314-L337 HydrophobicContact CB-CG 4.17Å; L314-L337 HydrophobicContact CD1-CD2 4.49Å; D315-L337 WeakPolarHBondContact OD1-CD2 3.32Å; L333-L337 WeakPolarHBondContact O-CB 3.29Å; L333-L337 WeakPolarHBondContact O-CG 3.03Å; L333-L337 PolarHBondContact O-N 2.93Å; T334-L337 PolarHBondContact O-N 3.31Å; F335-L337 VanDerWaalsContact C-N 3.34Å; F335-L337 PolarHBondContact O-N 3.12Å; L337-L339 VanDerWaalsContact C-N 3.27Å; L337-L339 PolarHBondContact O-N 3.23Å; L337-T340 WeakPolarHBondContact CA-OG1 3.32Å; L337-T340 PolarHBondContact O-OG1 2.69Å; L337-F341 VanDerWaalsContact O-CB 3.31Å; L337-F341 WeakPolarHBondContact O-CB 3.27Å; L337-F341 PolarHBondContact O-N 2.86Å
338S63.8Low59.2Low79 Ų7960.7 Ų60.755%0.55236%0.356SS*.Hα-helixtrans-61-37.1175.2-162.30000111.8T334 F335 F341 M342T334-S338 WeakPolarHBondContact O-CB 3.37Å; T334-S338 PolarHBondContact O-N 2.84Å; F335-S338 WeakPolarHBondContact O-CB 3.33Å; F335-S338 PolarHBondContact O-N 2.03Å; S338-F341 PolarHBondContact O-N 3.15Å; S338-M342 PolarHBondContact O-N 2.79Å
339L55.7Low60.9Low8 Ų856.3 Ų56.34%0.04233%0.33CS..Hα-helixtrans-83.2-37-177.1-129.3163.3000113.6I192 F335 L336 L337 F341 M342 V343I192-L339 HydrophobicContact CB-CD1 4.32Å; I192-L339 HydrophobicContact CG2-CB 4.03Å; I192-L339 HydrophobicContact CG2-CD1 3.43Å; I192-L339 VanDerWaalsContact CG2-CD1 3.43Å; I192-L339 HydrophobicContact CG2-CD2 3.33Å; I192-L339 HydrophobicContact CG2-CG 3.72Å; F335-L339 HydrophobicContact CD1-CD1 4.33Å; F335-L339 HydrophobicContact CE1-CD1 3.53Å; F335-L339 HydrophobicContact CE2-CD1 4.34Å; F335-L339 HydrophobicContact CZ-CD1 3.55Å; F335-L339 WeakPolarHBondContact O-CB 3.13Å; F335-L339 PolarHBondContact O-N 3.45Å; L336-L339 PolarHBondContact O-N 2.83Å; L337-L339 VanDerWaalsContact C-N 3.27Å; L337-L339 PolarHBondContact O-N 3.23Å; L339-F341 PolarHBondContact O-N 3.48Å; L339-M342 HydrophobicContact CD2-CB 4.47Å; L339-M342 HydrophobicContact CD2-CE 4.03Å; L339-M342 HydrophobicContact CG-CE 4.12Å; L339-M342 PolarHBondContact O-N 3.28Å; L339-V343 HydrophobicContact CD2-CG2 4Å; L339-V343 WeakPolarHBondContact O-CG2 3.38Å; L339-V343 PolarHBondContact O-N 3.38Å
340T63.5Low62.2Low22 Ų2257.3 Ų57.314%0.13532%0.321CS..Hα-helixtrans-59.3-39.5165.534.40000110.8A310 L314 L336 L337 V343 Q344A310-T340 HydrophobicContact CB-CG2 4.24Å; L314-T340 HydrophobicContact CD1-CG2 3.84Å; L336-T340 PolarHBondContact O-N 3.15Å; L336-T340 PolarHBondContact O-OG1 3.29Å; L337-T340 WeakPolarHBondContact CA-OG1 3.32Å; L337-T340 PolarHBondContact O-OG1 2.69Å; T340-V343 PolarHBondContact O-N 2.75Å; T340-Q344 WeakPolarHBondContact O-CB 3Å; T340-Q344 PolarHBondContact O-N 2.95Å
341F68.5Low62.9Low82 Ų8258.8 Ų58.836%0.3632%0.317SS..Hα-helixtrans-65.1-39.6173.7-177.6-120.6000113L337 S338 L339 Q344 K345L337-F341 VanDerWaalsContact O-CB 3.31Å; L337-F341 WeakPolarHBondContact O-CB 3.27Å; L337-F341 PolarHBondContact O-N 2.86Å; S338-F341 PolarHBondContact O-N 3.15Å; L339-F341 PolarHBondContact O-N 3.48Å; F341-Q344 PolarHBondContact O-N 3.21Å; F341-K345 WeakPolarHBondContact O-CB 3.25Å; F341-K345 PolarHBondContact O-N 3.08Å
342M62.4Low62.8Low69 Ų6964 Ų6434%0.3434%0.336SS..Hα-helixtrans-61.3-49.9174.2-163.5-144.2-61.300111.3S196 Y200 S338 L339 Q344 K345 T346S196-M342 PolarHBondContact OG-SD 2.77Å; Y200-M342 HydrophobicContact CE2-SD 4.26Å; S338-M342 PolarHBondContact O-N 2.79Å; L339-M342 HydrophobicContact CD2-CB 4.47Å; L339-M342 HydrophobicContact CD2-CE 4.03Å; L339-M342 HydrophobicContact CG-CE 4.12Å; L339-M342 PolarHBondContact O-N 3.28Å; M342-Q344 VanDerWaalsContact C-N 3.35Å; M342-Q344 PolarHBondContact O-N 2.89Å; M342-K345 WeakPolarHBondContact O-CA 3.23Å; M342-K345 WeakPolarHBondContact O-CB 3.46Å; M342-K345 PolarHBondContact O-N 2.87Å; M342-K345 VanDerWaalsContact O-N 3.09Å; M342-T346 PolarHBondContact O-N 3.28Å; M342-T346 PolarHBondContact O-OG1 2.89Å; M342-T346 VanDerWaalsContact O-OG1 3.12Å
343V60.6Low61.7Low26 Ų2669.5 Ų69.516%0.15836%0.362CS..Hα-helixtrans-63.2-40179.6174.80000111.4I307 L339 T340 K345 T346 L347I307-V343 HydrophobicContact CD1-CG1 3.68Å; I307-V343 HydrophobicContact CG1-CG1 4.08Å; L339-V343 HydrophobicContact CD2-CG2 4Å; L339-V343 WeakPolarHBondContact O-CG2 3.38Å; L339-V343 PolarHBondContact O-N 3.38Å; T340-V343 PolarHBondContact O-N 2.75Å; V343-K345 VanDerWaalsContact C-N 3.28Å; V343-K345 PolarHBondContact O-N 3.43Å; V343-T346 PolarHBondContact O-N 3.15Å; V343-L347 HydrophobicContact CG1-CD1 3.71Å; V343-L347 WeakPolarHBondContact O-CB 3.48Å; V343-L347 PolarHBondContact O-N 3.17Å
344Q73.1Confident60.8Low13 Ų1373.8 Ų73.86%0.06138%0.384CS..Hα-helixtrans-60.1-37.4173.5-166.6176.945.100112.2I307 T340 F341 M342 S348 C349I307-Q344 HydrophobicContact CG2-CB 3.88Å; I307-Q344 HydrophobicContact CG2-CG 4.27Å; T340-Q344 WeakPolarHBondContact O-CB 3Å; T340-Q344 PolarHBondContact O-N 2.95Å; F341-Q344 PolarHBondContact O-N 3.21Å; M342-Q344 VanDerWaalsContact C-N 3.35Å; M342-Q344 PolarHBondContact O-N 2.89Å; Q344-S348 PolarHBondContact O-N 2.85Å; Q344-C349 HydrophobicContact CG-CB 3.75Å; Q344-C349 WeakPolarHBondContact O-CB 3.47Å; Q344-C349 PolarHBondContact O-N 3.35Å
345K67.9Low59.5Low151 Ų15176 Ų7666%0.65740%0.397SS*.Hα-helixtrans-72.2-49176.8-171.2-175.5179.1-171.10111.7F341 M342 V343 L347 S348F341-K345 WeakPolarHBondContact O-CB 3.25Å; F341-K345 PolarHBondContact O-N 3.08Å; M342-K345 WeakPolarHBondContact O-CA 3.23Å; M342-K345 WeakPolarHBondContact O-CB 3.46Å; M342-K345 PolarHBondContact O-N 2.87Å; M342-K345 VanDerWaalsContact O-N 3.09Å; V343-K345 VanDerWaalsContact C-N 3.28Å; V343-K345 PolarHBondContact O-N 3.43Å; K345-L347 VanDerWaalsContact C-N 3.32Å; K345-L347 PolarHBondContact O-N 3.42Å; K345-S348 PolarHBondContact O-N 3.21Å
346T58.3Low58.4Low53 Ų5378 Ų7833%0.32542%0.416SS..Hα-helixtrans-57.7-43.6178.3-56.80000111.6A199 M342 V343 S348A199-T346 HydrophobicContact CB-CG2 4.34Å; M342-T346 PolarHBondContact O-N 3.28Å; M342-T346 PolarHBondContact O-OG1 2.89Å; M342-T346 VanDerWaalsContact O-OG1 3.12Å; V343-T346 PolarHBondContact O-N 3.15Å; T346-S348 PolarHBondContact O-N 3.45Å
347L61.9Low57Low41 Ų4180.6 Ų80.622%0.21545%0.449CS..THydrogen-bonded Turntrans-80.94.9179.4-68.6162.9000114R300 L303 I307 V343 K345 C349R300-L347 WeakPolarHBondContact CD-O 3.23Å; R300-L347 PolarHBondContact NE-O 2.92Å; L303-L347 HydrophobicContact CB-CD1 4.34Å; L303-L347 HydrophobicContact CD2-CD1 3.57Å; L303-L347 HydrophobicContact CD2-CD2 4.16Å; I307-L347 HydrophobicContact CD1-CD1 3.39Å; V343-L347 HydrophobicContact CG1-CD1 3.71Å; V343-L347 WeakPolarHBondContact O-CB 3.48Å; V343-L347 PolarHBondContact O-N 3.17Å; K345-L347 VanDerWaalsContact C-N 3.32Å; K345-L347 PolarHBondContact O-N 3.42Å; L347-C349 PolarHBondContact O-N 3.41Å
348S78.5Confident55.2Low73 Ų7387 Ų8751%0.5148%0.483SS..THydrogen-bonded Turntrans49.942.3-177.4-64.30000112.6R300 Q344 K345 T346R300-S348 PolarHBondContact NH2-O 2.99Å; Q344-S348 PolarHBondContact O-N 2.85Å; K345-S348 PolarHBondContact O-N 3.21Å; T346-S348 PolarHBondContact O-N 3.45Å
349C76.7Confident53.5Low13 Ų1392.4 Ų92.49%0.08850%0.496CS..  trans-73.2125.7-178.8-68.50000110.3C304 Q344 L347 R351C304-C349 WeakPolarHBondContact CA-SG 3.35Å; C304-C349 HydrophobicContact CB-CB 3.64Å; C304-C349 WeakPolarHBondContact CB-SG 3.22Å; C304-C349 WeakPolarHBondContact SG-CA 3.32Å; C304-C349 WeakPolarHBondContact SG-CB 3.38Å; C304-C349 CovalentContact SG-SG 2.04Å; C304-C349 PolarHBondContact SG-SG 3.47Å; Q344-C349 HydrophobicContact CG-CB 3.75Å; Q344-C349 WeakPolarHBondContact O-CB 3.47Å; Q344-C349 PolarHBondContact O-N 3.35Å; L347-C349 PolarHBondContact O-N 3.41Å; C349-R351 PolarHBondContact O-N 2.59Å; C349-R351 VanDerWaalsContact O-N 3.13Å
350P67.6Low52.5Low103 Ų103100.3 Ų100.367%0.66954%0.537SS*.  trans-65.1117.4-17825.9-33.1000110.1Q352P350-Q352 PolarHBondContact O-N 3.23Å
351R57.4Low50.9Low162 Ų162106.6 Ų106.661%0.61157%0.571SS**  trans-65.9105.1171.2-95.9-179161.1-177.2-7.6109.5C349 L353C349-R351 PolarHBondContact O-N 2.59Å; C349-R351 VanDerWaalsContact O-N 3.13Å; R351-L353 PolarHBondContact O-N 3.29Å
352Q49.9Very low49.4Very low156 Ų156107.6 Ų107.673%0.72959%0.594SS**  trans-71.8106.7154.9-66.7-161.49.500107.8P350 I354P350-Q352 PolarHBondContact O-N 3.23Å; Q352-I354 PolarHBondContact O-N 3.37Å
353L33.2Very low47.9Very low151 Ų151112.3 Ų112.379%0.79162%0.615SS**  trans-64.2103.3175.4-92.6149.7000109.6R351 T355R351-L353 PolarHBondContact O-N 3.29Å; L353-T355 PolarHBondContact O-N 3.42Å
354I38.1Very low46.7Very low108 Ų108119.4 Ų119.455%0.55465%0.651SS**  trans-70.996.4171.5-58.2178.4000108.1Q352 T356Q352-I354 PolarHBondContact O-N 3.37Å; I354-T356 HydrophobicContact CG2-CG2 4.3Å; I354-T356 PolarHBondContact O-N 3.47Å; I354-T356 VanDerWaalsContact O-N 3.08Å
355T29.3Very low44.7Very low135 Ų135124.9 Ų124.983%0.82868%0.681SS**  trans-75.787.1169.347.50000110.5L353L353-T355 PolarHBondContact O-N 3.42Å
356T33.4Very low43.1Very low124 Ų124121.7 Ų121.776%0.76169%0.69SS**  trans-116.7122.8161.437.30000109.1I354I354-T356 HydrophobicContact CG2-CG2 4.3Å; I354-T356 PolarHBondContact O-N 3.47Å; I354-T356 VanDerWaalsContact O-N 3.08Å
357G27.8Very low41.9Very low79 Ų79127 Ų12781%0.81471%0.712SS**  trans-91.4139-153.100000116.2
358L32Very low40.3Very low179 Ų179131 Ų13194%0.93774%0.738SS**  trans-124112152.4-96.2159.9000108
359K28.1Very low38.1Very low192 Ų192132.4 Ų132.484%0.83575%0.747SS**  trans-76.3125.8180-72.1177.1174.7177.20110.4
360L33.9Very low35.7Very low174 Ų174137.4 Ų137.491%0.91178%0.777SS**  trans-138.8131.3145.9-14178.8000109.2
361N30.1Very low33.8Very low155 Ų155139.4 Ų139.483%0.82979%0.788SS**  trans-89.8128.3-169.2-52.7-49.3000111.4
362A36.5Very low32.3Very low103 Ų103137.8 Ų137.885%0.85180%0.795SS**  trans-155.286.9155.300000110.5
363Q30.6Very low31.3Very low168 Ų168137.5 Ų137.579%0.78580%0.796SS**  trans-59.4131.9177175-176.48.900113.7
364L35.7Very low31Very low175 Ų175137.9 Ų137.992%0.91679%0.793SS**  trans-158.5107.1146.9-115.2153.6000110.6
365D30.9Very low30.5Very low128 Ų128141.7 Ų141.768%0.68481%0.809SS**  trans-73.7147.3-178.6-70.5-75.5000113.2
366G35.2Very low30.4Very low83 Ų83141.9 Ų141.986%0.85681%0.81SS**  trans-160.972.2177.600000111.9
367Q33.4Very low30.1Very low166 Ų166145.1 Ų145.178%0.77681%0.814SS**  trans-70.9148.3-165-87.6-173.2-3.300117.9
368V28.7Very low30.1Very low125 Ų125149 Ų14976%0.75882%0.815SS**  trans74.4141.4134.4168.50000116.8
369S30.5Very low29.8Very low101 Ų101148.6 Ų148.671%0.70681%0.814SS**  cis-144.8157.624.2-158.30000115.5
370T27.5Very low30Very low118 Ų118144.7 Ų144.772%0.72481%0.808SS**  trans-67.4146.3163.149.70000113.6
371V28.1Very low29.9Very low146 Ų146142.6 Ų142.689%0.88580%0.802SS**  trans-135.1126.5142.6178.30000108.7
372V25.9Very low30.3Very low127 Ų127143.3 Ų143.377%0.7780%0.8SS**  trans-99.1145.3167.5170.30000107.5
373M28.3Very low31Very low150 Ų150146.2 Ų146.274%0.73980%0.796SS**  trans141.4144162.9-85.4176.784.400108.8
374E27.4Very low32Very low159 Ų159139.9 Ų139.974%0.74377%0.77SS**  cis-159.4170.9-16-133.4169.9-158.500107.4T376E374-T376 PolarHBondContact O-N 3.11Å
375E27.5Very low32.7Very low189 Ų189136 Ų13688%0.88375%0.754SS**  trans-57.9128.2179.2-61.4178.3112.200112.8
376T27.6Very low33.8Very low139 Ų139135.7 Ų135.785%0.85376%0.757SS**  trans-139.6117148.322.10000111.4E374E374-T376 PolarHBondContact O-N 3.11Å
377K25.9Very low34.5Very low192 Ų192138.7 Ų138.784%0.83575%0.749SS**  trans-54.7136.6160.7-67.3160.8174.9167.70109.1
378N27.2Very low35.6Very low159 Ų159132.5 Ų132.585%0.8572%0.721SS**  trans168.787.4137.1-82.3-16.4000110.9
379L26.5Very low36.8Very low172 Ų172129.5 Ų129.590%0.90171%0.709SS**  trans-89.6131.4137-74.9157.5000104.2
380P31.8Very low37.8Very low110 Ų110131.3 Ų131.371%0.71471%0.707SS**  -151.6-158.768.133.8-9.6000114.7
381V33.4Very low39Very low129 Ų129131 Ų13178%0.78270%0.697SS**  trans97.2125.8157.5-162.30000116.2
382E37.5Very low40Very low171 Ų171125.8 Ų125.880%0.79966%0.662SS**  trans-73.7152.3172.3-58.3166.8112.600110.4
383E51.2Low41.2Very low163 Ų163125.6 Ų125.676%0.76266%0.656SS**  166.5134.2127.3-91161.6-165.400110.8
384C50.9Low42.4Very low35 Ų35124.5 Ų124.524%0.23665%0.648CS.*  trans-92.8135159.1-77.20000109.8D388 C503C384-D388 VanDerWaalsContact CB-OD1 3.29Å; C384-D388 WeakPolarHBondContact CB-OD1 3.27Å; C384-C503 HydrophobicContact CB-CB 4.25Å; C384-C503 WeakPolarHBondContact CB-SG 3.29Å; C384-C503 WeakPolarHBondContact SG-CB 3.47Å; C384-C503 CovalentContact SG-SG 2.03Å; C384-C503 PolarHBondContact SG-SG 3.48Å
385T52Low44Very low94 Ų94117.4 Ų117.458%0.57762%0.615SS**  trans162.7157.8161.733.60000104.3D388T385-D388 VanDerWaalsContact CA-OD1 3.26Å; T385-D388 WeakPolarHBondContact CA-OD1 2.91Å; T385-D388 WeakPolarHBondContact CG2-OD1 3.3Å; T385-D388 PolarHBondContact N-OD1 3.14Å; T385-D388 VanDerWaalsContact N-OD1 3.12Å
386T53.2Low45.2Very low122 Ų122110.8 Ų110.875%0.74859%0.585SS**SBendcis-128.2149.91639.40000111.2
387E48.9Very low46.5Very low146 Ų146108.1 Ų108.168%0.68257%0.569SS**SBendcis-85.578.6-23-69172.5127.200107.4A389 E390 Q391E387-A389 PolarHBondContact O-N 2.82Å; E387-E390 CarbonylContact O-C 3.48Å; E387-E390 WeakPolarHBondContact O-CA 3.26Å; E387-E390 PolarHBondContact O-N 2.84Å; E387-Q391 PolarHBondContact O-N 2.93Å
388D57.8Low47.7Very low35 Ų35105 Ų10519%0.18756%0.558CS.*Hα-helixtrans36.265.5-165.4-79.1-28.8000114.3C384 T385 E390 Q391 Y392 L507C384-D388 VanDerWaalsContact CB-OD1 3.29Å; C384-D388 WeakPolarHBondContact CB-OD1 3.27Å; T385-D388 VanDerWaalsContact CA-OD1 3.26Å; T385-D388 WeakPolarHBondContact CA-OD1 2.91Å; T385-D388 WeakPolarHBondContact CG2-OD1 3.3Å; T385-D388 PolarHBondContact N-OD1 3.14Å; T385-D388 VanDerWaalsContact N-OD1 3.12Å; D388-E390 VanDerWaalsContact C-N 3.35Å; D388-E390 PolarHBondContact O-N 3.39Å; D388-Q391 WeakPolarHBondContact O-CA 3.26Å; D388-Q391 PolarHBondContact O-N 3.5Å; D388-Y392 PolarHBondContact O-N 2.79Å; D388-Y392 VanDerWaalsContact O-N 3.13Å; D388-L507 HydrophobicContact CB-CD2 3.88Å
389A52.6Low48.8Very low63 Ų6398.8 Ų98.852%0.52153%0.53SS..Hα-helixtrans56.344.7-174.400000113.3E387 Q391 Y392 D393E387-A389 PolarHBondContact O-N 2.82Å; A389-Q391 VanDerWaalsContact C-N 3.28Å; A389-Q391 PolarHBondContact O-N 2.87Å; A389-Y392 WeakPolarHBondContact O-CA 3.1Å; A389-Y392 PolarHBondContact O-N 3.39Å; A389-D393 PolarHBondContact O-N 2.87Å
390E51.7Low49.6Very low139 Ų13997.2 Ų97.265%0.6552%0.518SS*.Hα-helixtrans42.755.6-170-75.1177.3-15300111.9E387 D388 Y392 D393 K394E387-E390 CarbonylContact O-C 3.48Å; E387-E390 WeakPolarHBondContact O-CA 3.26Å; E387-E390 PolarHBondContact O-N 2.84Å; D388-E390 VanDerWaalsContact C-N 3.35Å; D388-E390 PolarHBondContact O-N 3.39Å; E390-Y392 VanDerWaalsContact C-N 3.31Å; E390-Y392 PolarHBondContact O-N 3.48Å; E390-D393 PolarHBondContact O-N 2.86Å; E390-K394 PolarHBondContact O-N 3.47Å
391Q52.8Low50.1Low112 Ų11296.9 Ų96.952%0.52351%0.51SS..Hα-helixtrans51.844.3-174.8-149.5173.113.700113.1E387 D388 A389 C395 S508E387-Q391 PolarHBondContact O-N 2.93Å; D388-Q391 WeakPolarHBondContact O-CA 3.26Å; D388-Q391 PolarHBondContact O-N 3.5Å; A389-Q391 VanDerWaalsContact C-N 3.28Å; A389-Q391 PolarHBondContact O-N 2.87Å; Q391-C395 PolarHBondContact O-N 3.38Å; Q391-S508 PolarHBondContact NE2-OG 2.68Å
392Y50.1Low50.3Low35 Ų3594.8 Ų94.814%0.13750%0.499CS..Hα-helixtrans63.456.5-177.5-161.6-122.9000113.7D388 A389 E390 K394 C395 L396 F500 L507 P511 D514D388-Y392 PolarHBondContact O-N 2.79Å; D388-Y392 VanDerWaalsContact O-N 3.13Å; A389-Y392 WeakPolarHBondContact O-CA 3.1Å; A389-Y392 PolarHBondContact O-N 3.39Å; E390-Y392 VanDerWaalsContact C-N 3.31Å; E390-Y392 PolarHBondContact O-N 3.48Å; Y392-K394 VanDerWaalsContact C-N 3.31Å; Y392-K394 PolarHBondContact O-N 2.89Å; Y392-C395 CarbonylContact O-C 3.43Å; Y392-C395 WeakPolarHBondContact O-CA 3.36Å; Y392-C395 PolarHBondContact O-N 3.32Å; Y392-L396 HydrophobicContact CD1-CD1 4.45Å; Y392-L396 HydrophobicContact CD1-CG 4.49Å; Y392-L396 HydrophobicContact CE1-CD1 3.83Å; Y392-L396 HydrophobicContact CE1-CG 4.33Å; Y392-L396 PolarHBondContact O-N 3.12Å; Y392-F500 AromaticContact CE2-CE2 3.94Å; Y392-F500 HydrophobicContact CE2-CE2 3.94Å; Y392-F500 AromaticContact CE2-CZ 3.74Å; Y392-F500 HydrophobicContact CE2-CZ 3.74Å; Y392-L507 HydrophobicContact CD1-CD1 4.27Å; Y392-L507 HydrophobicContact CD2-CD1 3.45Å; Y392-L507 VanDerWaalsContact CD2-CD1 3.45Å; Y392-L507 HydrophobicContact CE2-CD1 4.19Å; Y392-L507 HydrophobicContact CG-CD1 3.51Å; Y392-P511 HydrophobicContact CE1-CG 4.23Å; Y392-D514 WeakPolarHBondContact CE1-OD2 3.21Å; Y392-D514 VanDerWaalsContact OH-CG 3.22Å; Y392-D514 PolarHBondContact OH-OD1 2.9Å; Y392-D514 PolarHBondContact OH-OD2 3.38Å; Y392-D514 VanDerWaalsContact OH-OD2 3.04Å
393D50.8Low50.5Low123 Ų12395.9 Ų95.966%0.65850%0.502SS*.Hα-helixtrans5642.5-171.1-73.8-18.1000112.4A389 E390 C395 L396A389-D393 PolarHBondContact O-N 2.87Å; E390-D393 PolarHBondContact O-N 2.86Å; D393-C395 PolarHBondContact O-N 2.93Å; D393-L396 HydrophobicContact CB-CD2 4.31Å; D393-L396 PolarHBondContact O-N 2.78Å; D393-L396 VanDerWaalsContact O-N 3.17Å
394K54.4Low49.9Very low128 Ų12895.3 Ų95.356%0.55750%0.504SS*.Hα-helixtrans53.446.6-169.5-131.1179.7-178.4-1650111.4E390 Y392 E398E390-K394 PolarHBondContact O-N 3.47Å; Y392-K394 VanDerWaalsContact C-N 3.31Å; Y392-K394 PolarHBondContact O-N 2.89Å; K394-E398 HydrophobicContact CD-CG 3.99Å; K394-E398 WeakPolarHBondContact CE-OE1 3.39Å; K394-E398 HydrophobicContact CG-CG 4.49Å; K394-E398 IonicContact NZ-OE1 2.64Å; K394-E398 PolarHBondContact NZ-OE1 2.86Å; K394-E398 PolarHBondContact O-N 2.84Å
395C59.5Low49Very low9 Ų998.1 Ų98.16%0.06153%0.53CS..Hα-helixtrans49.952.1-169.9-167.60000114.2Q391 Y392 D393 V397 C509Q391-C395 PolarHBondContact O-N 3.38Å; Y392-C395 CarbonylContact O-C 3.43Å; Y392-C395 WeakPolarHBondContact O-CA 3.36Å; Y392-C395 PolarHBondContact O-N 3.32Å; D393-C395 PolarHBondContact O-N 2.93Å; C395-V397 WeakPolarHBondContact O-CB 3.45Å; C395-V397 WeakPolarHBondContact O-CG2 3.36Å; C395-V397 PolarHBondContact O-N 3.44Å; C395-C509 HydrophobicContact CB-CB 3.53Å; C395-C509 WeakPolarHBondContact CB-SG 3.48Å; C395-C509 WeakPolarHBondContact SG-CB 3.4Å; C395-C509 PolarHBondContact SG-O 2.64Å; C395-C509 CovalentContact SG-SG 2.02Å; C395-C509 PolarHBondContact SG-SG 3.02Å
396L53Low48.4Very low50 Ų5099.2 Ų99.226%0.26253%0.532SS..Hα-helixtrans53.10.6179-82170.5000116.7Y392 D393 P511 L563Y392-L396 HydrophobicContact CD1-CD1 4.45Å; Y392-L396 HydrophobicContact CD1-CG 4.49Å; Y392-L396 HydrophobicContact CE1-CD1 3.83Å; Y392-L396 HydrophobicContact CE1-CG 4.33Å; Y392-L396 PolarHBondContact O-N 3.12Å; D393-L396 HydrophobicContact CB-CD2 4.31Å; D393-L396 PolarHBondContact O-N 2.78Å; D393-L396 VanDerWaalsContact O-N 3.17Å; L396-P511 HydrophobicContact CB-CG 3.76Å; L396-P511 HydrophobicContact CD1-CB 4.24Å; L396-P511 HydrophobicContact CD1-CG 3.71Å; L396-P511 HydrophobicContact CG-CG 4.22Å; L396-L563 HydrophobicContact CD1-CD2 3.55Å; L396-L563 HydrophobicContact CD2-CD1 4.44Å; L396-L563 HydrophobicContact CD2-CD2 3.91Å; L396-L563 HydrophobicContact CG-CD2 4.31Å
397V54.4Low47.6Very low83 Ų8399.1 Ų99.150%0.50353%0.533SS..Hα-helixtrans-154.6-36.1-160.6-169.60000115.6C395 G399C395-V397 WeakPolarHBondContact O-CB 3.45Å; C395-V397 WeakPolarHBondContact O-CG2 3.36Å; C395-V397 PolarHBondContact O-N 3.44Å; V397-G399 VanDerWaalsContact CG1-C 3.47Å; V397-G399 VanDerWaalsContact CG1-CA 3.44Å; V397-G399 WeakPolarHBondContact CG1-O 3.28Å
398E52.3Low47.3Very low128 Ų12898.8 Ų98.860%0.59854%0.536SS*.Hα-helixtrans5727.5-140.8-68.9-165.6158.900112.8K394 H400K394-E398 HydrophobicContact CD-CG 3.99Å; K394-E398 WeakPolarHBondContact CE-OE1 3.39Å; K394-E398 HydrophobicContact CG-CG 4.49Å; K394-E398 IonicContact NZ-OE1 2.64Å; K394-E398 PolarHBondContact NZ-OE1 2.86Å; K394-E398 PolarHBondContact O-N 2.84Å; E398-H400 PolarHBondContact O-CD2 3.43Å; E398-H400 PolarHBondContact O-NE2 2.98Å
399G49.1Very low46.3Very low27 Ų27108.3 Ų108.328%0.27857%0.57SS.*  trans46.3-160.5178.900000117.1V397V397-G399 VanDerWaalsContact CG1-C 3.47Å; V397-G399 VanDerWaalsContact CG1-CA 3.44Å; V397-G399 WeakPolarHBondContact CG1-O 3.28Å
400H45.1Very low45.7Very low139 Ų139112.4 Ų112.464%0.64459%0.588SS**  cis-138.1152.3-1.2-78.2-90.1000108.2E398 P402E398-H400 PolarHBondContact O-CD2 3.43Å; E398-H400 PolarHBondContact O-NE2 2.98Å; H400-P402 HydrophobicContact CB-CB 4.34Å; H400-P402 VanDerWaalsContact CB-CD 3.49Å; H400-P402 HydrophobicContact CB-CG 4.17Å; H400-P402 WeakPolarHBondContact O-CD 3.36Å
401N42Very low44.9Very low104 Ų104108.8 Ų108.856%0.55659%0.588SS**  trans-95.882.4142.7-153.226.7000105.3
402P37.8Very low44.2Very low84 Ų84110.9 Ų110.955%0.54560%0.602SS.*  trans-70.9132167.733.6-28.4000105.5H400 N404H400-P402 HydrophobicContact CB-CB 4.34Å; H400-P402 VanDerWaalsContact CB-CD 3.49Å; H400-P402 HydrophobicContact CB-CG 4.17Å; H400-P402 WeakPolarHBondContact O-CD 3.36Å; P402-N404 VanDerWaalsContact C-N 3.32Å; P402-N404 PolarHBondContact O-N 3.12Å
403F41Very low43.5Very low194 Ų194118.3 Ų118.385%0.85164%0.638SS**SBendtrans-67.695.9175.6-90.3-95000109.4
404N38.8Very low42.8Very low151 Ų151116.2 Ų116.281%0.80765%0.646SS**  trans37.288.2166.1-66.4-36.3000117.6P402 D406P402-N404 VanDerWaalsContact C-N 3.32Å; P402-N404 PolarHBondContact O-N 3.12Å; N404-D406 PolarHBondContact O-N 3.17Å
405A32.2Very low41.9Very low94 Ų94115.1 Ų115.178%0.77766%0.661SS**  trans-76.9114.715500000110.3
406D38.2Very low40.7Very low117 Ų117119.8 Ų119.863%0.62669%0.693SS**  trans-57.8123.3176.8178.53.6000112.3N404 D408N404-D406 PolarHBondContact O-N 3.17Å; D406-D408 VanDerWaalsContact C-N 3.34Å; D406-D408 PolarHBondContact O-N 3.23Å; D406-D408 PolarHBondContact OD1-N 3.25Å
407P37.7Very low39.8Very low120 Ų120122.7 Ų122.778%0.77972%0.715SS**SBendtrans-71.2-15.5179.8-2033.5000116.3
408D41.7Very low39Very low139 Ų139127.4 Ų127.474%0.74373%0.732SS**  trans-111.833.9-158-88.7-35.7000116.4D406D406-D408 VanDerWaalsContact C-N 3.34Å; D406-D408 PolarHBondContact O-N 3.23Å; D406-D408 PolarHBondContact OD1-N 3.25Å
409R37.8Very low38Very low235 Ų235129.7 Ų129.789%0.88775%0.747SS**  trans-108.489.7170.5-105.1-178.6175.3-176.71.2115.9
410V39.3Very low37.3Very low149 Ų149135.9 Ų135.990%0.90377%0.773SS**  trans-58.3135.2170.1177.10000113.3
411G34.5Very low36.5Very low63 Ų63134.9 Ų134.965%0.64978%0.782SS**  trans159.2107.5153.100000119.9
412L38.5Very low36.1Very low156 Ų156135.2 Ų135.282%0.81780%0.799SS**  trans73.495.2145.2-62.5165000121.6
413Q35.9Very low35.8Very low191 Ų191135 Ų13589%0.89381%0.811SS**  41.3117.7120.5-64.3179.3-13.400121.1
414G35.4Very low35.1Very low80 Ų80136.6 Ų136.683%0.82581%0.813SS**  trans178.2121.7157.300000114.8
415A36.7Very low34.7Very low105 Ų105135 Ų13587%0.86881%0.809SS**  trans-57.7165.4178.400000114.3
416S34Very low34.5Very low107 Ų107137.8 Ų137.875%0.74881%0.81SS**  cis-164.3152.516.4-1720000110.2
417P33.1Very low34.1Very low110 Ų110138.4 Ų138.471%0.71482%0.818SS**  trans-97131.8176.835.5-30.8000113.9
418Q38.5Very low33.4Very low183 Ų183141.4 Ų141.486%0.85582%0.822SS**  trans-175.6110.7158.1-112.3164.766.300112.5
419L31.4Very low32.7Very low175 Ų175140.5 Ų140.592%0.91683%0.825SS**  173.7126.9121.2-99.7148.8000111.7
420L33.4Very low32.3Very low158 Ų158139.5 Ų139.583%0.82782%0.822SS**  trans-100.7155.1175-87.3154.3000110.7
421S29Very low31.6Very low118 Ų118143.3 Ų143.383%0.82582%0.821SS**  trans72.3102.9154.767.50000120.8
422A33.1Very low31.3Very low111 Ų111151.1 Ų151.192%0.91783%0.83SS**  trans-178.6140.1132.800000107.7
423G30.7Very low30.9Very low78 Ų78149.8 Ų149.880%0.80482%0.82SS**  cis-156.6-176.31.100000112.4
424Y26.9Very low30.4Very low228 Ų228149.2 Ų149.289%0.89482%0.822SS**  trans-89.7179.4-165.3-115.8-110.8000115.5
425T30.7Very low30.1Very low119 Ų119149.1 Ų149.173%0.7381%0.809SS**  trans76.3136165.813.80000116.3
426L29Very low29.6Very low151 Ų151153 Ų15379%0.79181%0.811SS**  cis-137136.318.2-91100.9000112.1
427V28.1Very low29.3Very low130 Ų130155.4 Ų155.479%0.78882%0.815SS**  90.6132.492.8178.70000116.9
428Q23.8Very low29Very low184 Ų184156 Ų15686%0.8682%0.817SS**  trans-60.6141-166.4-55.7179.4-700119.2
429C26.7Very low28.6Very low119 Ų119153.8 Ų153.880%0.80482%0.815SS**  trans-165153.1131.3-87.50000107.1
430Y30Very low28.5Very low214 Ų214152 Ų15284%0.83981%0.806SS**  cis-136.7-176.8-20.7-140.4-89.5000108.3
431R23.9Very low28.3Very low230 Ų230151 Ų15187%0.86880%0.8SS**  trans-155.697.1-174.7-179.5-169.5-175.5-175.33.8113.8
432W28.2Very low28.4Very low226 Ų226153.7 Ų153.786%0.85680%0.796SS**  trans-162137.2172-10677.8000109
433H30.6Very low28.3Very low128 Ų128155 Ų15559%0.59379%0.788SS**  cis-156.1112-16.3-150.1-85.7000109.1S435H433-S435 PolarHBondContact ND1-OG 2.97Å
434L25.8Very low28.2Very low180 Ų180160.2 Ų160.294%0.94279%0.785SS**  trans-101.6101.1177.5-154.9157000108
435S28.9Very low28.3Very low78 Ų78154.8 Ų154.855%0.54578%0.775SS.*  trans-151.7129.2-175.754.80000113H433H433-S435 PolarHBondContact ND1-OG 2.97Å
436M26.4Very low28.3Very low187 Ų187154.8 Ų154.892%0.92178%0.775SS**  trans101.763.6173.8-59.1-70.9-16100116.7
437L26.6Very low28.3Very low156 Ų156154.2 Ų154.282%0.81777%0.772SS**  trans-82141.6147.6-99.3165.7000109.9
438T27.9Very low28.3Very low124 Ų124154.1 Ų154.176%0.76177%0.767SS**  trans65.4121.5166.663.70000119.1
439V29.5Very low28.6Very low136 Ų136154.9 Ų154.982%0.82476%0.762SS**  -178.1113.8100.9161.40000111.3
440N29Very low28.7Very low136 Ų136157.9 Ų157.973%0.72776%0.761SS**  trans25.3136.3143.2-108.8-28000125.7
441M29.1Very low28.7Very low139 Ų139155.3 Ų155.369%0.68576%0.757SS**  trans72.3117.7141.1-60.2-139.4-161.200123.8
442K30.6Very low28.9Very low173 Ų173154.5 Ų154.575%0.75275%0.754SS**  trans77.6115.5132.2-70.5178.6179.1176.40121.7
443N31Very low29.1Very low138 Ų138156.3 Ų156.374%0.73876%0.761SS**  84.3125.1129.9-80.27.5000122.6
444Y28.9Very low29.1Very low189 Ų189157.1 Ų157.174%0.74177%0.77SS**  trans78.697.4140.6-88.7-102.7000121.5
445T29.1Very low29.5Very low113 Ų113154.1 Ų154.169%0.69376%0.764SS**  69.9151.2122.957.20000122.9
446V30.1Very low29.6Very low119 Ų119154.1 Ų154.172%0.72178%0.776SS**  trans110.694.3150.6-177.80000117.9
447L29.8Very low30.1Very low139 Ų139149.5 Ų149.573%0.72877%0.768SS**  trans47129.2135.9-75.893.4000122.8
448N28.5Very low30.5Very low129 Ų129150.2 Ų150.269%0.6977%0.772SS**  trans52.4138.6132.4-61.4-15.5000119.6
449R29.3Very low30.8Very low199 Ų199148.1 Ų148.175%0.75178%0.775SS**  169.9164.462.3-160.4176.1-90.9177.1-7.6109.3
450F30Very low31Very low182 Ų182150.9 Ų150.980%0.79878%0.782SS**  trans68.9121.2174.2-63.3-83.2000115.7
451Q28.8Very low31.1Very low160 Ų160149.4 Ų149.475%0.74878%0.779SS**  cis78.7120.314.4-136.9-16728.800117.3
452R28.7Very low31Very low214 Ų214150.9 Ų150.981%0.80879%0.789SS**  trans73.3113.7169.1-58.2-177.6-176.3170.51.2119.1
453W31.5Very low30.7Very low263 Ų263148.3 Ų148.3100%0.99679%0.788SS**  -151.9155.4107.7-121.940.3000111.2
454N31.1Very low30.6Very low145 Ų145149.9 Ų149.978%0.77580%0.795SS**  trans-140160.3-166.8-153.74.2000110
455S34.1Very low30.5Very low117 Ų117146.4 Ų146.482%0.81880%0.799SS**  trans62.2130.4164.655.40000120.8
456G31.6Very low30.4Very low78 Ų78143.8 Ų143.880%0.80479%0.793SS**  trans157.4100.9152.600000118.8
457A36.2Very low30.4Very low90 Ų90144 Ų14474%0.74480%0.798SS**  trans71.410414900000122.5
458D35.3Very low30.5Very low172 Ų172143.7 Ų143.792%0.9280%0.801SS**  51.3116.9120.1-50.9-25000122.6
459G34.9Very low30.9Very low79 Ų79143.4 Ų143.481%0.81480%0.804SS**  trans-165.2118.2162.800000112.1
460M32.7Very low31.6Very low195 Ų195142.8 Ų142.896%0.96181%0.807SS**  trans-73.5167.2-171.7-106.9-162174.400114.9
461P30.9Very low32.4Very low104 Ų104136.3 Ų136.368%0.67579%0.787SS**  trans-92.2161.2-149.136.7-39.4000115.8
462L27Very low33.9Very low171 Ų171132.2 Ų132.290%0.89577%0.77SS**  trans-115.6111.5160.1-106.5161.8000109.9
463V25.5Very low35.7Very low119 Ų119123.2 Ų123.272%0.72174%0.737SS**  trans-80.2119.7172.71750000108.6
464L28.7Very low37.5Very low170 Ų170115.6 Ų115.689%0.8972%0.72SS**  trans-126.4120155.8-77.7176.6000108.6
465S26.8Very low39.9Very low117 Ų117114.5 Ų114.582%0.81871%0.71SS**  trans-87.9130-171.948.90000112.2
466G27.2Very low42.3Very low57 Ų57109.8 Ų109.859%0.58868%0.675SS**  trans168112168.200000111.9T468G466-T468 PolarHBondContact O-N 3.4Å; G466-T468 VanDerWaalsContact O-N 3.15Å
467P30.8Very low44.6Very low125 Ų125106.6 Ų106.681%0.81264%0.642SS**  trans-83.886.6-179.633.4-33000111.2V469P467-V469 VanDerWaalsContact C-N 3.31Å; P467-V469 PolarHBondContact O-N 3.41Å
468T31.2Very low46.9Very low131 Ų131103.6 Ų103.680%0.80461%0.612SS**  trans-78.978.9169.645.40000110.8G466 K470G466-T468 PolarHBondContact O-N 3.4Å; G466-T468 VanDerWaalsContact O-N 3.15Å; T468-K470 PolarHBondContact O-N 3.04Å
469V36.8Very low49.3Very low124 Ų12496.2 Ų96.275%0.75257%0.572SS**  trans-73.980.9170.2-174.30000109P467 A471P467-V469 VanDerWaalsContact C-N 3.31Å; P467-V469 PolarHBondContact O-N 3.41Å; V469-A471 PolarHBondContact O-N 3.02Å; V469-A471 VanDerWaalsContact O-N 3.1Å
470K43.7Very low51.7Low185 Ų18592.6 Ų92.680%0.80453%0.534SS*.  trans-64.3108.3162.5-73.4-168.4174.3-165.50107.5T468 N472T468-K470 PolarHBondContact O-N 3.04Å; K470-N472 PolarHBondContact O-N 2.79Å
471A46.2Very low54.3Low46 Ų4683.3 Ų83.338%0.3849%0.488SS..  trans-69.668.3170.900000110.2V469 F473V469-A471 PolarHBondContact O-N 3.02Å; V469-A471 VanDerWaalsContact O-N 3.1Å; A471-F473 VanDerWaalsContact C-N 3.33Å; A471-F473 PolarHBondContact O-N 3.36Å
472N60.9Low56.9Low75 Ų7578.8 Ų78.840%0.40146%0.458SS..  trans-79.481.1-173.6-174.923.4000110.9K470 T474 Q475K470-N472 PolarHBondContact O-N 2.79Å; N472-T474 VanDerWaalsContact CG-OG1 3.27Å; N472-T474 PolarHBondContact ND2-OG1 2.82Å; N472-T474 PolarHBondContact O-N 3.33Å; N472-T474 PolarHBondContact OD1-N 2.81Å; N472-T474 PolarHBondContact OD1-OG1 3.47Å; N472-Q475 WeakPolarHBondContact O-CB 3.45Å; N472-Q475 WeakPolarHBondContact O-CG 3.24Å; N472-Q475 PolarHBondContact O-N 3.11Å
473F65.6Low59.8Low25 Ų2570.6 Ų70.611%0.1142%0.415CS..G310 helixtrans-53.4-27.9177.2-177.4-111.9000113.5A471 Q475 Y476 F497 F500 I517 F521A471-F473 VanDerWaalsContact C-N 3.33Å; A471-F473 PolarHBondContact O-N 3.36Å; F473-Q475 PolarHBondContact O-N 2.94Å; F473-Q475 VanDerWaalsContact O-N 3.07Å; F473-Y476 HydrophobicContact CD2-CD2 4.21Å; F473-Y476 WeakPolarHBondContact O-CD2 3.44Å; F473-Y476 PolarHBondContact O-N 3.16Å; F473-F497 HydrophobicContact CD2-CB 4.35Å; F473-F497 HydrophobicContact CE2-CB 3.75Å; F473-F497 HydrophobicContact CE2-CD2 4.13Å; F473-F497 HydrophobicContact CE2-CG 4.45Å; F473-F497 HydrophobicContact CZ-CB 4.4Å; F473-F497 AromaticContact CZ-CD2 3.93Å; F473-F497 HydrophobicContact CZ-CD2 3.93Å; F473-F500 HydrophobicContact CB-CB 4.36Å; F473-F500 HydrophobicContact CB-CD1 4.49Å; F473-F500 HydrophobicContact CB-CD2 4.29Å; F473-F500 HydrophobicContact CB-CG 4.13Å; F473-F500 HydrophobicContact CG-CD1 4.49Å; F473-I517 HydrophobicContact CE1-CG2 3.86Å; F473-F521 HydrophobicContact CE1-CD2 4.41Å; F473-F521 HydrophobicContact CE1-CE2 4.06Å; F473-F521 HydrophobicContact CE1-CZ 4.26Å; F473-F521 HydrophobicContact CE2-CD1 4.25Å; F473-F521 AromaticContact CE2-CE1 3.94Å; F473-F521 HydrophobicContact CE2-CE1 3.94Å; F473-F521 HydrophobicContact CE2-CZ 4.13Å; F473-F521 AromaticContact CZ-CD1 3.87Å; F473-F521 HydrophobicContact CZ-CD1 3.87Å; F473-F521 AromaticContact CZ-CD2 3.79Å; F473-F521 HydrophobicContact CZ-CD2 3.79Å; F473-F521 AromaticContact CZ-CE1 3.6Å; F473-F521 HydrophobicContact CZ-CE1 3.6Å; F473-F521 AromaticContact CZ-CE2 3.52Å; F473-F521 HydrophobicContact CZ-CE2 3.52Å; F473-F521 AromaticContact CZ-CG 3.97Å; F473-F521 HydrophobicContact CZ-CG 3.97Å; F473-F521 AromaticContact CZ-CZ 3.42Å; F473-F521 HydrophobicContact CZ-CZ 3.42Å; F473-F521 VanDerWaalsContact CZ-CZ 3.42Å
474T70.2Confident62.9Low103 Ų10365 Ų6563%0.63238%0.381SS*.G310 helixtrans-61.8-17.8177.474.70000113.8N472 Y476 G477N472-T474 VanDerWaalsContact CG-OG1 3.27Å; N472-T474 PolarHBondContact ND2-OG1 2.82Å; N472-T474 PolarHBondContact O-N 3.33Å; N472-T474 PolarHBondContact OD1-N 2.81Å; N472-T474 PolarHBondContact OD1-OG1 3.47Å; T474-Y476 PolarHBondContact O-N 3.39Å; T474-G477 PolarHBondContact O-N 3.11Å
475Q81.4Confident65.5Low122 Ų12261.4 Ų61.457%0.5736%0.363SS*.G310 helixtrans-61.5-28.217977.6-171.8-9.100113.8N472 F473 G477N472-Q475 WeakPolarHBondContact O-CB 3.45Å; N472-Q475 WeakPolarHBondContact O-CG 3.24Å; N472-Q475 PolarHBondContact O-N 3.11Å; F473-Q475 PolarHBondContact O-N 2.94Å; F473-Q475 VanDerWaalsContact O-N 3.07Å; Q475-G477 VanDerWaalsContact C-N 3.29Å
476Y84Confident68.4Low18 Ų1859.1 Ų59.17%0.07134%0.341CS..G310 helixtrans-77.9-18.4177.7-59.7-73.4000112.4F473 T474 N485 Q489 E492 A493 S496F473-Y476 HydrophobicContact CD2-CD2 4.21Å; F473-Y476 WeakPolarHBondContact O-CD2 3.44Å; F473-Y476 PolarHBondContact O-N 3.16Å; T474-Y476 PolarHBondContact O-N 3.39Å; Y476-N485 WeakPolarHBondContact O-CB 3.36Å; Y476-N485 PolarHBondContact O-N 3.08Å; Y476-Q489 HydrophobicContact CD1-CB 4.14Å; Y476-Q489 HydrophobicContact CE1-CB 4.07Å; Y476-E492 HydrophobicContact CE1-CB 4.11Å; Y476-E492 PolarHBondContact OH-O 2.92Å; Y476-A493 HydrophobicContact CD1-CB 3.66Å; Y476-A493 HydrophobicContact CD2-CB 3.99Å; Y476-A493 HydrophobicContact CE1-CB 3.95Å; Y476-A493 HydrophobicContact CE2-CB 4.28Å; Y476-A493 HydrophobicContact CG-CB 3.68Å; Y476-S496 PolarHBondContact OH-OG 3.41Å
477G80.1Confident71.4Confident11 Ų1157.7 Ų57.711%0.11332%0.321CS..  trans66168-169.200000113.3T474 Q475T474-G477 PolarHBondContact O-N 3.11Å; Q475-G477 VanDerWaalsContact C-N 3.29Å
478F83.9Confident74.2Confident26 Ų2656 Ų5611%0.11431%0.313CS..  trans-124.4135.1174.3166.1-87.7000108.9I483 M520 F557 I559 L562 F604F478-I483 CarbonylContact C-O 3.33Å; F478-I483 VanDerWaalsContact CA-O 3.28Å; F478-I483 WeakPolarHBondContact CA-O 3.44Å; F478-M520 HydrophobicContact CD2-CE 3.58Å; F478-M520 HydrophobicContact CD2-SD 4.35Å; F478-M520 HydrophobicContact CE2-CE 3.4Å; F478-M520 VanDerWaalsContact CE2-CE 3.4Å; F478-M520 HydrophobicContact CE2-SD 3.63Å; F478-M520 HydrophobicContact CZ-SD 4.45Å; F478-F557 HydrophobicContact CE1-CD1 4.01Å; F478-F557 AromaticContact CE1-CE1 3.45Å; F478-F557 HydrophobicContact CE1-CE1 3.45Å; F478-F557 VanDerWaalsContact CE1-CE1 3.45Å; F478-F557 HydrophobicContact CE1-CZ 4.33Å; F478-F557 AromaticContact CZ-CE1 3.62Å; F478-F557 HydrophobicContact CZ-CE1 3.62Å; F478-F557 HydrophobicContact CZ-CZ 4.17Å; F478-I559 HydrophobicContact CB-CD1 3.93Å; F478-I559 HydrophobicContact CB-CG1 4.08Å; F478-I559 HydrophobicContact CD1-CG1 4.27Å; F478-L562 HydrophobicContact CD1-CD1 4.33Å; F478-L562 HydrophobicContact CE1-CD1 3.71Å; F478-L562 HydrophobicContact CZ-CD1 4.5Å; F478-F604 AromaticContact CE2-CD2 3.93Å; F478-F604 HydrophobicContact CE2-CD2 3.93Å; F478-F604 AromaticContact CE2-CE2 3.83Å; F478-F604 HydrophobicContact CE2-CE2 3.83Å; F478-F604 AromaticContact CZ-CD2 3.96Å; F478-F604 HydrophobicContact CZ-CD2 3.96Å; F478-F604 AromaticContact CZ-CE2 3.66Å; F478-F604 HydrophobicContact CZ-CE2 3.66Å; F478-F604 HydrophobicContact CZ-CZ 4.22Å
479H87.3Confident77.2Confident18 Ų1853.5 Ų53.58%0.08329%0.291CS..BIsolated β-bridgetrans-146.5129.3178.7-169.6-69.2000112.9V481 H482 I483 S543 I552H479-V481 PolarHBondContact ND1-N 3.37Å; H479-V481 PolarHBondContact O-N 3.17Å; H479-H482 WeakPolarHBondContact CB-CE1 3.36Å; H479-H482 WeakPolarHBondContact CB-ND1 3.5Å; H479-H482 WeakPolarHBondContact CB-NE2 3.39Å; H479-H482 AromaticContact CD2-CE1 3.37Å; H479-H482 PolarHBondContact CD2-CE1 3.38Å; H479-H482 AromaticContact CD2-ND1 3.81Å; H479-H482 AromaticContact CD2-NE2 2.66Å; H479-H482 PolarHBondContact CD2-NE2 3.36Å; H479-H482 AromaticContact CE1-CE1 3.05Å; H479-H482 PolarHBondContact CE1-CE1 3.25Å; H479-H482 AromaticContact CE1-ND1 3.81Å; H479-H482 AromaticContact CE1-NE2 3.75Å; H479-H482 AromaticContact CG-CE1 2.53Å; H479-H482 AromaticContact CG-ND1 3.16Å; H479-H482 AromaticContact CG-NE2 2.75Å; H479-H482 AromaticContact ND1-CE1 2.27Å; H479-H482 PolarHBondContact ND1-CE1 3.29Å; H479-H482 AromaticContact ND1-ND1 3.18Å; H479-H482 PolarHBondContact ND1-ND1 3.44Å; H479-H482 VanDerWaalsContact ND1-ND1 3.18Å; H479-H482 AromaticContact ND1-NE2 3.46Å; H479-H482 PolarHBondContact ND1-NE2 2.84Å; H479-H482 AromaticContact NE2-CE1 3.62Å; H479-H482 AromaticContact NE2-NE2 3.34Å; H479-H482 PolarHBondContact NE2-NE2 3.09Å; H479-H482 PolarHBondContact O-N 2.96Å; H479-I483 PolarHBondContact N-O 3.06Å; H479-I483 VanDerWaalsContact O-CA 3.28Å; H479-I483 WeakPolarHBondContact O-CA 3.39Å; H479-I483 PolarHBondContact O-N 2.03Å; H479-S543 WeakPolarHBondContact CE1-CB 3.29Å; H479-S543 WeakPolarHBondContact NE2-CB 3.2Å; H479-I552 WeakPolarHBondContact CE1-CD1 3.16Å; H479-I552 WeakPolarHBondContact NE2-CD1 3.48Å
480P85.1Confident79.9Confident2 Ų247.8 Ų47.81%0.01326%0.257CS..THydrogen-bonded Turntrans-64.30.4-173.122.1-33.8000117.5I552 F557 I577 Q597 L601P480-I552 HydrophobicContact CG-CD1 3.6Å; P480-I552 HydrophobicContact CG-CG1 3.67Å; P480-I552 HydrophobicContact CG-CG2 4.34Å; P480-F557 HydrophobicContact CB-CD1 3.68Å; P480-F557 HydrophobicContact CB-CE1 3.61Å; P480-F557 HydrophobicContact CG-CD1 3.66Å; P480-F557 HydrophobicContact CG-CE1 4.1Å; P480-I577 HydrophobicContact CB-CG2 3.66Å; P480-I577 HydrophobicContact CG-CG2 4.25Å; P480-Q597 PolarHBondContact O-NE2 3.42Å; P480-L601 HydrophobicContact CB-CD2 3.86Å; P480-L601 WeakPolarHBondContact O-CD1 3.37Å
481V86.4Confident82.3Confident0 Ų042.6 Ų42.60%024%0.238CC..THydrogen-bonded Turntrans-120.9-37.5-173.5-176.90000111.5H479 L539 M542 I548 T581 V585H479-V481 PolarHBondContact ND1-N 3.37Å; H479-V481 PolarHBondContact O-N 3.17Å; V481-L539 HydrophobicContact CG1-CB 4.44Å; V481-L539 HydrophobicContact CG1-CD2 4.03Å; V481-M542 HydrophobicContact CG1-CB 4.13Å; V481-I548 HydrophobicContact CG2-CG2 3.81Å; V481-T581 HydrophobicContact CG2-CG2 4.1Å; V481-V585 HydrophobicContact CG1-CG2 3.9Å
482H85.8Confident84.6Confident9 Ų944.9 Ų44.94%0.04224%0.241CC..THydrogen-bonded Turntrans-131.614-174.871.1-51.1000113.3H479 I484 F532 L539 S543H479-H482 WeakPolarHBondContact CB-CE1 3.36Å; H479-H482 WeakPolarHBondContact CB-ND1 3.5Å; H479-H482 WeakPolarHBondContact CB-NE2 3.39Å; H479-H482 AromaticContact CD2-CE1 3.37Å; H479-H482 PolarHBondContact CD2-CE1 3.38Å; H479-H482 AromaticContact CD2-ND1 3.81Å; H479-H482 AromaticContact CD2-NE2 2.66Å; H479-H482 PolarHBondContact CD2-NE2 3.36Å; H479-H482 AromaticContact CE1-CE1 3.05Å; H479-H482 PolarHBondContact CE1-CE1 3.25Å; H479-H482 AromaticContact CE1-ND1 3.81Å; H479-H482 AromaticContact CE1-NE2 3.75Å; H479-H482 AromaticContact CG-CE1 2.53Å; H479-H482 AromaticContact CG-ND1 3.16Å; H479-H482 AromaticContact CG-NE2 2.75Å; H479-H482 AromaticContact ND1-CE1 2.27Å; H479-H482 PolarHBondContact ND1-CE1 3.29Å; H479-H482 AromaticContact ND1-ND1 3.18Å; H479-H482 PolarHBondContact ND1-ND1 3.44Å; H479-H482 VanDerWaalsContact ND1-ND1 3.18Å; H479-H482 AromaticContact ND1-NE2 3.46Å; H479-H482 PolarHBondContact ND1-NE2 2.84Å; H479-H482 AromaticContact NE2-CE1 3.62Å; H479-H482 AromaticContact NE2-NE2 3.34Å; H479-H482 PolarHBondContact NE2-NE2 3.09Å; H479-H482 PolarHBondContact O-N 2.96Å; H482-I484 PolarHBondContact CD2-O 2.85Å; H482-I484 PolarHBondContact O-N 3.42Å; H482-F532 WeakPolarHBondContact O-CE2 3.43Å; H482-F532 WeakPolarHBondContact O-CZ 3.47Å; H482-L539 HydrophobicContact CB-CB 4.01Å; H482-S543 WeakPolarHBondContact CE1-CB 3.03Å; H482-S543 WeakPolarHBondContact ND1-CB 3.25Å; H482-S543 PolarHBondContact ND1-OG 3.22Å; H482-S543 WeakPolarHBondContact NE2-CB 3.47Å
483I88Confident86.1Confident0 Ų041.3 Ų41.30%022%0.222CC..BIsolated β-bridgetrans66.7-59.4175.1-57.9178000114.6F478 H479 M520 F521 V524 F532 I600F478-I483 CarbonylContact C-O 3.33Å; F478-I483 VanDerWaalsContact CA-O 3.28Å; F478-I483 WeakPolarHBondContact CA-O 3.44Å; H479-I483 PolarHBondContact N-O 3.06Å; H479-I483 VanDerWaalsContact O-CA 3.28Å; H479-I483 WeakPolarHBondContact O-CA 3.39Å; H479-I483 PolarHBondContact O-N 2.03Å; I483-M520 HydrophobicContact CG1-SD 4.34Å; I483-M520 HydrophobicContact CG2-CE 3.7Å; I483-F521 HydrophobicContact CG2-CD1 4.36Å; I483-F521 HydrophobicContact CG2-CD2 4.37Å; I483-F521 HydrophobicContact CG2-CE1 3.78Å; I483-F521 HydrophobicContact CG2-CE2 3.78Å; I483-F521 HydrophobicContact CG2-CZ 3.46Å; I483-F521 VanDerWaalsContact CG2-CZ 3.46Å; I483-V524 HydrophobicContact CD1-CB 3.85Å; I483-V524 HydrophobicContact CD1-CG1 3.84Å; I483-V524 HydrophobicContact CD1-CG2 3.2Å; I483-F532 HydrophobicContact CB-CE2 3.99Å; I483-F532 HydrophobicContact CD1-CD2 3.82Å; I483-F532 HydrophobicContact CD1-CE2 3.82Å; I483-F532 HydrophobicContact CG1-CE2 4.06Å; I483-I600 HydrophobicContact CD1-CD1 3.66Å; I483-I600 HydrophobicContact CD1-CG1 3.97Å; I483-I600 HydrophobicContact CD1-CG2 3.94Å; I483-I600 HydrophobicContact CG1-CD1 4.1Å; I483-I600 HydrophobicContact CG1-CG2 3.82Å
484I90Very high87.5Confident0 Ų040.5 Ų40.50%022%0.219CC..SBendtrans-118.2149.8179.157.1174.2000110.3H482 N486 I490 A493 F521 F532H482-I484 PolarHBondContact CD2-O 2.85Å; H482-I484 PolarHBondContact O-N 3.42Å; I484-N486 VanDerWaalsContact C-N 3.27Å; I484-N486 WeakPolarHBondContact CD1-O 3.25Å; I484-N486 PolarHBondContact O-N 2.7Å; I484-I490 VanDerWaalsContact CD1-CA 3.47Å; I484-I490 HydrophobicContact CD1-CB 3.83Å; I484-I490 HydrophobicContact CD1-CD1 3.76Å; I484-I490 HydrophobicContact CD1-CG1 4.4Å; I484-I490 HydrophobicContact CG1-CD1 4.3Å; I484-A493 HydrophobicContact CD1-CB 4.02Å; I484-A493 HydrophobicContact CG2-CB 4.12Å; I484-F521 HydrophobicContact CG2-CE1 3.8Å; I484-F521 HydrophobicContact CG2-CZ 3.63Å; I484-F532 HydrophobicContact CG1-CZ 4.48Å
485N85.1Confident88.5Confident96 Ų9639.4 Ų39.451%0.51321%0.212SC..SBendtrans-63.3-31.3-176.6-73.1-18.8000113.4Y476Y476-N485 WeakPolarHBondContact O-CB 3.36Å; Y476-N485 PolarHBondContact O-N 3.08Å
486N87.3Confident88.9Confident68 Ų6834.5 Ų34.536%0.36419%0.191SC..  trans-122.6101.5175.5-176.911.9000111.1I484 S488 Q489I484-N486 VanDerWaalsContact C-N 3.27Å; I484-N486 WeakPolarHBondContact CD1-O 3.25Å; I484-N486 PolarHBondContact O-N 2.7Å; N486-S488 PolarHBondContact ND2-OG 3.05Å; N486-S488 VanDerWaalsContact ND2-OG 3.1Å; N486-S488 PolarHBondContact O-N 2.77Å; N486-S488 VanDerWaalsContact O-N 3.13Å; N486-S488 PolarHBondContact OD1-N 3.15Å; N486-S488 VanDerWaalsContact OD1-N 3.08Å; N486-S488 PolarHBondContact OD1-OG 3.33Å; N486-Q489 HydrophobicContact CB-CG 4.46Å; N486-Q489 PolarHBondContact ND2-OE1 3.28Å; N486-Q489 VanDerWaalsContact ND2-OE1 3.15Å; N486-Q489 PolarHBondContact O-N 2.98Å
487V88.7Confident89.2Confident28 Ų2833.7 Ų33.717%0.1719%0.188CC..G310 helixtrans-51.1-32.4175.7160.70000113.8Q489 I490 F532 S536V487-Q489 PolarHBondContact O-N 2.83Å; V487-Q489 VanDerWaalsContact O-N 3.1Å; V487-I490 PolarHBondContact O-N 3.25Å; V487-F532 HydrophobicContact CG1-CE1 4.42Å; V487-F532 HydrophobicContact CG2-CE1 4.44Å; V487-F532 HydrophobicContact CG2-CZ 4.14Å; V487-S536 WeakPolarHBondContact CG1-OG 3.48Å
488S90.8Very high89.6Confident90 Ų9037.4 Ų37.463%0.62921%0.205SC*.G310 helixtrans-68.5-8.2-179.587.70000113.5N486N486-S488 PolarHBondContact ND2-OG 3.05Å; N486-S488 VanDerWaalsContact ND2-OG 3.1Å; N486-S488 PolarHBondContact O-N 2.77Å; N486-S488 VanDerWaalsContact O-N 3.13Å; N486-S488 PolarHBondContact OD1-N 3.15Å; N486-S488 VanDerWaalsContact OD1-N 3.08Å; N486-S488 PolarHBondContact OD1-OG 3.33Å
489Q93.1Very high89.7Confident77 Ų7741.3 Ų41.336%0.3622%0.224SC..G310 helixtrans-111.418.6-177.3-63.8179.2-64.100112.7Y476 N486 V487 D491 E492 A493Y476-Q489 HydrophobicContact CD1-CB 4.14Å; Y476-Q489 HydrophobicContact CE1-CB 4.07Å; N486-Q489 HydrophobicContact CB-CG 4.46Å; N486-Q489 PolarHBondContact ND2-OE1 3.28Å; N486-Q489 VanDerWaalsContact ND2-OE1 3.15Å; N486-Q489 PolarHBondContact O-N 2.98Å; V487-Q489 PolarHBondContact O-N 2.83Å; V487-Q489 VanDerWaalsContact O-N 3.1Å; Q489-D491 VanDerWaalsContact C-N 3.31Å; Q489-D491 PolarHBondContact O-N 3.11Å; Q489-E492 VanDerWaalsContact C-OE2 3.26Å; Q489-E492 WeakPolarHBondContact CA-OE2 3.36Å; Q489-E492 PolarHBondContact O-N 2.7Å; Q489-A493 VanDerWaalsContact O-CB 3.26Å; Q489-A493 WeakPolarHBondContact O-CB 3.05Å; Q489-A493 PolarHBondContact O-N 2.93Å
490I93.4Very high89.5Confident5 Ų542.2 Ų42.23%0.02623%0.228CC..Hα-helixtrans-64.4-34.3-176.3-171.764.3000112.9I484 V487 A493 C494 V524 L529 F532 K533I484-I490 VanDerWaalsContact CD1-CA 3.47Å; I484-I490 HydrophobicContact CD1-CB 3.83Å; I484-I490 HydrophobicContact CD1-CD1 3.76Å; I484-I490 HydrophobicContact CD1-CG1 4.4Å; I484-I490 HydrophobicContact CG1-CD1 4.3Å; V487-I490 PolarHBondContact O-N 3.25Å; I490-A493 PolarHBondContact O-N 3.36Å; I490-C494 WeakPolarHBondContact O-CB 3.35Å; I490-C494 PolarHBondContact O-N 3.05Å; I490-C494 PolarHBondContact O-SG 2.98Å; I490-V524 HydrophobicContact CD1-CG1 4.36Å; I490-L529 HydrophobicContact CG1-CD1 3.69Å; I490-L529 HydrophobicContact CG2-CD1 4.27Å; I490-F532 HydrophobicContact CB-CD1 4.12Å; I490-F532 HydrophobicContact CB-CE1 3.74Å; I490-F532 HydrophobicContact CD1-CD1 4.13Å; I490-F532 HydrophobicContact CD1-CE1 3.84Å; I490-F532 HydrophobicContact CD1-CZ 4.1Å; I490-F532 HydrophobicContact CG1-CD1 3.64Å; I490-F532 HydrophobicContact CG1-CE1 3.59Å; I490-F532 HydrophobicContact CG1-CG 4.43Å; I490-F532 HydrophobicContact CG1-CZ 4.36Å; I490-F532 HydrophobicContact CG2-CD1 4.18Å; I490-F532 HydrophobicContact CG2-CE1 4.09Å; I490-K533 HydrophobicContact CG2-CG 4.26Å
491D94.3Very high89.4Confident75 Ų7543 Ų4340%0.40123%0.231SC..Hα-helixtrans-70.5-40.3-179.7-68-40.7000111.2Q489 T495 K533Q489-D491 VanDerWaalsContact C-N 3.31Å; Q489-D491 PolarHBondContact O-N 3.11Å; D491-T495 WeakPolarHBondContact O-CB 2.97Å; D491-T495 PolarHBondContact O-N 3.21Å; D491-T495 PolarHBondContact O-OG1 3.37Å; D491-K533 VanDerWaalsContact OD1-CE 3.26Å; D491-K533 WeakPolarHBondContact OD1-CE 3.04Å; D491-K533 IonicContact OD1-NZ 2.68Å; D491-K533 PolarHBondContact OD1-NZ 2.93Å; D491-K533 IonicContact OD2-NZ 2.61Å; D491-K533 PolarHBondContact OD2-NZ 3.33Å
492E94.2Very high89.3Confident95 Ų9550.3 Ų50.344%0.44426%0.263SS..Hα-helixtrans-68.7-37.8172.8-59.290.5152.700111.8Y476 Q489 T495 S496Y476-E492 HydrophobicContact CE1-CB 4.11Å; Y476-E492 PolarHBondContact OH-O 2.92Å; Q489-E492 VanDerWaalsContact C-OE2 3.26Å; Q489-E492 WeakPolarHBondContact CA-OE2 3.36Å; Q489-E492 PolarHBondContact O-N 2.7Å; E492-T495 PolarHBondContact O-N 2.97Å; E492-S496 VanDerWaalsContact O-CB 3.31Å; E492-S496 WeakPolarHBondContact O-CB 3.31Å; E492-S496 PolarHBondContact O-N 3.35Å; E492-S496 PolarHBondContact O-OG 2.6Å
493A92.9Very high89.1Confident0 Ų051.4 Ų51.40%027%0.271CS..Hα-helixtrans-64.3-44.9174.900000111.4Y476 I484 Q489 I490 S496 F497Y476-A493 HydrophobicContact CD1-CB 3.66Å; Y476-A493 HydrophobicContact CD2-CB 3.99Å; Y476-A493 HydrophobicContact CE1-CB 3.95Å; Y476-A493 HydrophobicContact CE2-CB 4.28Å; Y476-A493 HydrophobicContact CG-CB 3.68Å; I484-A493 HydrophobicContact CD1-CB 4.02Å; I484-A493 HydrophobicContact CG2-CB 4.12Å; Q489-A493 VanDerWaalsContact O-CB 3.26Å; Q489-A493 WeakPolarHBondContact O-CB 3.05Å; Q489-A493 PolarHBondContact O-N 2.93Å; I490-A493 PolarHBondContact O-N 3.36Å; A493-S496 PolarHBondContact O-N 3.4Å; A493-F497 VanDerWaalsContact O-CB 3.24Å; A493-F497 WeakPolarHBondContact O-CB 3.46Å; A493-F497 PolarHBondContact O-N 3.22Å
494C94.7Very high88.7Confident8 Ų852.8 Ų52.85%0.05428%0.276CS..Hα-helixtrans-65.9-38.4175.3-70.90000112.4I490 F497 N498 C525I490-C494 WeakPolarHBondContact O-CB 3.35Å; I490-C494 PolarHBondContact O-N 3.05Å; I490-C494 PolarHBondContact O-SG 2.98Å; C494-F497 PolarHBondContact O-N 3.2Å; C494-N498 PolarHBondContact O-N 3.34Å; C494-N498 VanDerWaalsContact O-N 3.1Å; C494-N498 PolarHBondContact O-ND2 3.46Å; C494-C525 WeakPolarHBondContact CA-SG 3.2Å; C494-C525 HydrophobicContact CB-CB 3.57Å; C494-C525 WeakPolarHBondContact CB-SG 3.44Å; C494-C525 WeakPolarHBondContact SG-CA 3.45Å; C494-C525 WeakPolarHBondContact SG-CB 3.33Å; C494-C525 CovalentContact SG-SG 2.03Å; C494-C525 PolarHBondContact SG-SG 2.79Å
495T93Very high88.2Confident79 Ų7959 Ų5949%0.48530%0.3SS..Hα-helixtrans-63-45.2173.7-580000111.1D491 E492 N498 Q499D491-T495 WeakPolarHBondContact O-CB 2.97Å; D491-T495 PolarHBondContact O-N 3.21Å; D491-T495 PolarHBondContact O-OG1 3.37Å; E492-T495 PolarHBondContact O-N 2.97Å; T495-N498 PolarHBondContact O-N 3.05Å; T495-Q499 WeakPolarHBondContact O-CG 3.45Å; T495-Q499 PolarHBondContact O-N 2.27Å
496S89.6Confident87.9Confident19 Ų1960.2 Ų60.213%0.13330%0.3CS..Hα-helixtrans-69.5-37.1178.7-59.70000112.6Y476 E492 A493 Q499 F500Y476-S496 PolarHBondContact OH-OG 3.41Å; E492-S496 VanDerWaalsContact O-CB 3.31Å; E492-S496 WeakPolarHBondContact O-CB 3.31Å; E492-S496 PolarHBondContact O-N 3.35Å; E492-S496 PolarHBondContact O-OG 2.6Å; A493-S496 PolarHBondContact O-N 3.4Å; S496-Q499 PolarHBondContact O-N 2.99Å; S496-F500 VanDerWaalsContact O-CB 3.29Å; S496-F500 WeakPolarHBondContact O-CB 3.39Å; S496-F500 PolarHBondContact O-N 3.18Å
497F90.3Very high87.4Confident2 Ų257.6 Ų57.61%0.00929%0.286CS..Hα-helixtrans-56.1-50.9172.3172.8-98.6000110.6F473 A493 C494 Q499 F500 F501 H518 F521F473-F497 HydrophobicContact CD2-CB 4.35Å; F473-F497 HydrophobicContact CE2-CB 3.75Å; F473-F497 HydrophobicContact CE2-CD2 4.13Å; F473-F497 HydrophobicContact CE2-CG 4.45Å; F473-F497 HydrophobicContact CZ-CB 4.4Å; F473-F497 AromaticContact CZ-CD2 3.93Å; F473-F497 HydrophobicContact CZ-CD2 3.93Å; A493-F497 VanDerWaalsContact O-CB 3.24Å; A493-F497 WeakPolarHBondContact O-CB 3.46Å; A493-F497 PolarHBondContact O-N 3.22Å; C494-F497 PolarHBondContact O-N 3.2Å; F497-Q499 VanDerWaalsContact C-N 3.26Å; F497-Q499 PolarHBondContact O-N 2.83Å; F497-F500 PolarHBondContact O-N 2.91Å; F497-F501 HydrophobicContact CD1-CD2 4.35Å; F497-F501 AromaticContact CD2-CD2 3.43Å; F497-F501 HydrophobicContact CD2-CD2 3.43Å; F497-F501 VanDerWaalsContact CD2-CD2 3.43Å; F497-F501 AromaticContact CD2-CE2 3.43Å; F497-F501 HydrophobicContact CD2-CE2 3.43Å; F497-F501 VanDerWaalsContact CD2-CE2 3.43Å; F497-F501 HydrophobicContact CE1-CD2 4.18Å; F497-F501 AromaticContact CE2-CD2 3.23Å; F497-F501 HydrophobicContact CE2-CD2 3.23Å; F497-F501 HydrophobicContact CE2-CE1 4.49Å; F497-F501 AromaticContact CE2-CE2 2.99Å; F497-F501 HydrophobicContact CE2-CE2 2.99Å; F497-F501 HydrophobicContact CE2-CG 4.14Å; F497-F501 AromaticContact CE2-CZ 3.71Å; F497-F501 HydrophobicContact CE2-CZ 3.71Å; F497-F501 HydrophobicContact CG-CD2 4.01Å; F497-F501 HydrophobicContact CG-CE2 4.43Å; F497-F501 AromaticContact CZ-CD2 3.65Å; F497-F501 HydrophobicContact CZ-CD2 3.65Å; F497-F501 AromaticContact CZ-CE2 3.73Å; F497-F501 HydrophobicContact CZ-CE2 3.73Å; F497-F501 HydrophobicContact CZ-CG 4.12Å; F497-F501 HydrophobicContact CZ-CZ 4.2Å; F497-F501 WeakPolarHBondContact O-CB 3.22Å; F497-F501 WeakPolarHBondContact O-CD2 3.47Å; F497-F501 PolarHBondContact O-N 3.14Å; F497-H518 AromaticContact CZ-CD2 3.88Å; F497-F521 HydrophobicContact CD1-CB 4.22Å; F497-F521 HydrophobicContact CD2-CB 3.37Å; F497-F521 HydrophobicContact CD2-CD1 4.17Å; F497-F521 HydrophobicContact CD2-CD2 4.49Å; F497-F521 AromaticContact CD2-CG 3.8Å; F497-F521 HydrophobicContact CD2-CG 3.8Å; F497-F521 HydrophobicContact CE1-CB 4.03Å; F497-F521 HydrophobicContact CE2-CB 3.12Å; F497-F521 AromaticContact CE2-CG 3.97Å; F497-F521 HydrophobicContact CE2-CG 3.97Å; F497-F521 HydrophobicContact CG-CB 3.92Å; F497-F521 HydrophobicContact CG-CD1 4.4Å; F497-F521 HydrophobicContact CG-CG 4.39Å; F497-F521 HydrophobicContact CZ-CB 3.49Å; F497-F521 VanDerWaalsContact CZ-CB 3.49Å
498N87.8Confident86.9Confident88 Ų8860.3 Ų60.347%0.47131%0.306SS..Hα-helixtrans-61.4-32.4179.4-73.2-28.6000113.1C494 T495 K502C494-N498 PolarHBondContact O-N 3.34Å; C494-N498 VanDerWaalsContact O-N 3.1Å; C494-N498 PolarHBondContact O-ND2 3.46Å; T495-N498 PolarHBondContact O-N 3.05Å; N498-K502 WeakPolarHBondContact O-CG 3.48Å; N498-K502 PolarHBondContact O-N 3.01Å
499Q86.5Confident86.3Confident109 Ų10957.7 Ų57.751%0.50929%0.287SS..Hα-helixtrans-73.5-48.2173.6-67.3175.51.500111.9T495 S496 F497 F501 K502 C503T495-Q499 WeakPolarHBondContact O-CG 3.45Å; T495-Q499 PolarHBondContact O-N 2.27Å; S496-Q499 PolarHBondContact O-N 2.99Å; F497-Q499 VanDerWaalsContact C-N 3.26Å; F497-Q499 PolarHBondContact O-N 2.83Å; Q499-F501 VanDerWaalsContact C-N 3.29Å; Q499-F501 PolarHBondContact O-N 2.82Å; Q499-K502 PolarHBondContact O-N 3.23Å; Q499-C503 PolarHBondContact O-N 2.7Å; Q499-C503 VanDerWaalsContact O-N 3.15Å
500F83Confident85.5Confident36 Ų3660.8 Ų60.816%0.15830%0.296CS..Hα-helixtrans-58-40.3177.3171.9-102.3000111.9Y392 F473 S496 F497 C503 R504Y392-F500 AromaticContact CE2-CE2 3.94Å; Y392-F500 HydrophobicContact CE2-CE2 3.94Å; Y392-F500 AromaticContact CE2-CZ 3.74Å; Y392-F500 HydrophobicContact CE2-CZ 3.74Å; F473-F500 HydrophobicContact CB-CB 4.36Å; F473-F500 HydrophobicContact CB-CD1 4.49Å; F473-F500 HydrophobicContact CB-CD2 4.29Å; F473-F500 HydrophobicContact CB-CG 4.13Å; F473-F500 HydrophobicContact CG-CD1 4.49Å; S496-F500 VanDerWaalsContact O-CB 3.29Å; S496-F500 WeakPolarHBondContact O-CB 3.39Å; S496-F500 PolarHBondContact O-N 3.18Å; F497-F500 PolarHBondContact O-N 2.91Å; F500-C503 WeakPolarHBondContact O-CA 3.38Å; F500-C503 WeakPolarHBondContact O-CB 3.3Å; F500-C503 PolarHBondContact O-N 3.49Å; F500-R504 PolarHBondContact O-N 2.8Å
501F83.2Confident84.9Confident18 Ų1861.5 Ų61.58%0.07930%0.301CS..Hα-helixtrans-71.4-31.7178.8-91.9-91.6000114.3F497 Q499 C503 R504 R505 H518F497-F501 HydrophobicContact CD1-CD2 4.35Å; F497-F501 AromaticContact CD2-CD2 3.43Å; F497-F501 HydrophobicContact CD2-CD2 3.43Å; F497-F501 VanDerWaalsContact CD2-CD2 3.43Å; F497-F501 AromaticContact CD2-CE2 3.43Å; F497-F501 HydrophobicContact CD2-CE2 3.43Å; F497-F501 VanDerWaalsContact CD2-CE2 3.43Å; F497-F501 HydrophobicContact CE1-CD2 4.18Å; F497-F501 AromaticContact CE2-CD2 3.23Å; F497-F501 HydrophobicContact CE2-CD2 3.23Å; F497-F501 HydrophobicContact CE2-CE1 4.49Å; F497-F501 AromaticContact CE2-CE2 2.99Å; F497-F501 HydrophobicContact CE2-CE2 2.99Å; F497-F501 HydrophobicContact CE2-CG 4.14Å; F497-F501 AromaticContact CE2-CZ 3.71Å; F497-F501 HydrophobicContact CE2-CZ 3.71Å; F497-F501 HydrophobicContact CG-CD2 4.01Å; F497-F501 HydrophobicContact CG-CE2 4.43Å; F497-F501 AromaticContact CZ-CD2 3.65Å; F497-F501 HydrophobicContact CZ-CD2 3.65Å; F497-F501 AromaticContact CZ-CE2 3.73Å; F497-F501 HydrophobicContact CZ-CE2 3.73Å; F497-F501 HydrophobicContact CZ-CG 4.12Å; F497-F501 HydrophobicContact CZ-CZ 4.2Å; F497-F501 WeakPolarHBondContact O-CB 3.22Å; F497-F501 WeakPolarHBondContact O-CD2 3.47Å; F497-F501 PolarHBondContact O-N 3.14Å; Q499-F501 VanDerWaalsContact C-N 3.29Å; Q499-F501 PolarHBondContact O-N 2.82Å; F501-C503 VanDerWaalsContact C-N 3.3Å; F501-R504 PolarHBondContact O-N 3.32Å; F501-R505 WeakPolarHBondContact O-CG 3.49Å; F501-R505 PolarHBondContact O-N 3.43Å; F501-H518 HydrophobicContact CD1-CB 4.49Å; F501-H518 AromaticContact CD1-CD2 3.31Å; F501-H518 WeakPolarHBondContact CD1-CD2 3.44Å; F501-H518 HydrophobicContact CE1-CB 3.41Å; F501-H518 VanDerWaalsContact CE1-CB 3.41Å; F501-H518 AromaticContact CE1-CD2 3.06Å; F501-H518 WeakPolarHBondContact CE1-CD2 3.27Å; F501-H518 AromaticContact CE1-CG 3.44Å; F501-H518 VanDerWaalsContact CE1-CG 3.44Å; F501-H518 HydrophobicContact CZ-CB 3.54Å; F501-H518 AromaticContact CZ-CD2 3.78Å
502K83.4Confident84.4Confident155 Ų15559.2 Ų59.267%0.67429%0.292SS*.Hα-helixtrans-64.1-37168.7-73.4178.5179.2-166.40111.7N498 Q499N498-K502 WeakPolarHBondContact O-CG 3.48Å; N498-K502 PolarHBondContact O-N 3.01Å; Q499-K502 PolarHBondContact O-N 3.23Å
503C80.8Confident84.1Confident31 Ų3155 Ų5521%0.20927%0.272CS..Hα-helixtrans-64.6-49.8171.6-163.20000111.7C384 Q499 F500 F501 R505 K506C384-C503 HydrophobicContact CB-CB 4.25Å; C384-C503 WeakPolarHBondContact CB-SG 3.29Å; C384-C503 WeakPolarHBondContact SG-CB 3.47Å; C384-C503 CovalentContact SG-SG 2.03Å; C384-C503 PolarHBondContact SG-SG 3.48Å; Q499-C503 PolarHBondContact O-N 2.7Å; Q499-C503 VanDerWaalsContact O-N 3.15Å; F500-C503 WeakPolarHBondContact O-CA 3.38Å; F500-C503 WeakPolarHBondContact O-CB 3.3Å; F500-C503 PolarHBondContact O-N 3.49Å; F501-C503 VanDerWaalsContact C-N 3.3Å; C503-R505 PolarHBondContact O-N 3.09Å; C503-R505 VanDerWaalsContact O-N 3.08Å; C503-K506 WeakPolarHBondContact O-CB 3.25Å; C503-K506 PolarHBondContact O-N 3.41Å
504R81.3Confident83.8Confident29 Ų2955.2 Ų55.211%0.10927%0.274CS..Hα-helixtrans-58.6-28.3-173.3-159.9-161.472.8170.90.2113.7F500 F501 K506 L507 D514F500-R504 PolarHBondContact O-N 2.8Å; F501-R504 PolarHBondContact O-N 3.32Å; R504-K506 PolarHBondContact O-N 3.42Å; R504-K506 VanDerWaalsContact O-N 3.16Å; R504-L507 HydrophobicContact CG-CD1 4.06Å; R504-L507 WeakPolarHBondContact O-CB 3.37Å; R504-L507 PolarHBondContact O-N 3.29Å; R504-L507 VanDerWaalsContact O-N 3.11Å; R504-D514 PolarHBondContact NH1-O 3.16Å
505R79.7Confident83.6Confident132 Ų13255.9 Ų55.950%0.49828%0.282SS..THydrogen-bonded Turntrans-59.6-19.9175.2-72.5176-178.6-169-1.1113.9Y127 E131 F501 C503Y127-R505 PolarHBondContact OH-NH1 3.12Å; Y127-R505 PolarHBondContact OH-NH2 3.42Å; E131-R505 IonicContact OE1-NH1 3.17Å; F501-R505 WeakPolarHBondContact O-CG 3.49Å; F501-R505 PolarHBondContact O-N 3.43Å; C503-R505 PolarHBondContact O-N 3.09Å; C503-R505 VanDerWaalsContact O-N 3.08Å
506K79Confident83.5Confident120 Ų12052.1 Ų52.152%0.52226%0.259SS..THydrogen-bonded Turntrans-86.7-6.4177.2-57.7-167.5179.7-166.20114.3C503 R504C503-K506 WeakPolarHBondContact O-CB 3.25Å; C503-K506 PolarHBondContact O-N 3.41Å; R504-K506 PolarHBondContact O-N 3.42Å; R504-K506 VanDerWaalsContact O-N 3.16Å
507L76.2Confident83.6Confident14 Ų1452.6 Ų52.67%0.07326%0.26CS..  trans-92.5130.4-174.9-63.4169.3000111.9D388 Y392 R504 C509D388-L507 HydrophobicContact CB-CD2 3.88Å; Y392-L507 HydrophobicContact CD1-CD1 4.27Å; Y392-L507 HydrophobicContact CD2-CD1 3.45Å; Y392-L507 VanDerWaalsContact CD2-CD1 3.45Å; Y392-L507 HydrophobicContact CE2-CD1 4.19Å; Y392-L507 HydrophobicContact CG-CD1 3.51Å; R504-L507 HydrophobicContact CG-CD1 4.06Å; R504-L507 WeakPolarHBondContact O-CB 3.37Å; R504-L507 PolarHBondContact O-N 3.29Å; R504-L507 VanDerWaalsContact O-N 3.11Å; L507-C509 VanDerWaalsContact C-N 3.35Å; L507-C509 PolarHBondContact O-N 3.31Å
508S76.9Confident83.6Confident84 Ų8455 Ų5559%0.58727%0.271SS*.SBendtrans-76.2-15-176.756.60000115Q391Q391-S508 PolarHBondContact NE2-OG 2.68Å
509C78.5Confident83.7Confident35 Ų3551.4 Ų51.424%0.23625%0.252CS..  trans-131.3143.2-177169.40000110.8C395 L507C395-C509 HydrophobicContact CB-CB 3.53Å; C395-C509 WeakPolarHBondContact CB-SG 3.48Å; C395-C509 WeakPolarHBondContact SG-CB 3.4Å; C395-C509 PolarHBondContact SG-O 2.64Å; C395-C509 CovalentContact SG-SG 2.02Å; C395-C509 PolarHBondContact SG-SG 3.02Å; L507-C509 VanDerWaalsContact C-N 3.35Å; L507-C509 PolarHBondContact O-N 3.31Å
510R77.6Confident84Confident143 Ų14346.2 Ų46.254%0.5423%0.228SC..  trans-139108.9-168.6-60.9-179.5-169.8160.99.4110.7
511P81.2Confident84.5Confident20 Ų2044.5 Ų44.513%0.1322%0.22CC..  trans-63.7147.8172.3-2639000111.8Y392 L396 I513 D514Y392-P511 HydrophobicContact CE1-CG 4.23Å; L396-P511 HydrophobicContact CB-CG 3.76Å; L396-P511 HydrophobicContact CD1-CB 4.24Å; L396-P511 HydrophobicContact CD1-CG 3.71Å; L396-P511 HydrophobicContact CG-CG 4.22Å; P511-I513 HydrophobicContact CB-CG2 4.11Å; P511-I513 PolarHBondContact O-N 3.44Å; P511-I513 VanDerWaalsContact O-N 3.12Å; P511-D514 VanDerWaalsContact O-CB 3.26Å; P511-D514 WeakPolarHBondContact O-CB 3.43Å; P511-D514 PolarHBondContact O-N 3.04Å
512A82.4Confident84.9Confident26 Ų2649 Ų4922%0.21524%0.237CC..Hα-helixtrans-58.1-33.6-174.500000113.7D514 G515 L570A512-D514 VanDerWaalsContact C-N 3.26Å; A512-D514 PolarHBondContact O-N 3.02Å; A512-G515 PolarHBondContact O-N 3.32Å; A512-L570 HydrophobicContact CB-CD1 3.76Å
513I88.5Confident85.3Confident6 Ų642.6 Ų42.63%0.03121%0.209CC..Hα-helixtrans-61.3-29.5175.9-165.6-176.6000113.5P511 G515 G516 I517 L562 L563 L570 F604P511-I513 HydrophobicContact CB-CG2 4.11Å; P511-I513 PolarHBondContact O-N 3.44Å; P511-I513 VanDerWaalsContact O-N 3.12Å; I513-G515 VanDerWaalsContact C-N 3.29Å; I513-G515 PolarHBondContact O-N 2.99Å; I513-G516 PolarHBondContact O-N 3.04Å; I513-G516 VanDerWaalsContact O-N 3.1Å; I513-I517 HydrophobicContact CD1-CD1 4.08Å; I513-I517 HydrophobicContact CG1-CD1 3.95Å; I513-I517 HydrophobicContact CG1-CG1 4.2Å; I513-I517 WeakPolarHBondContact O-CG1 3.33Å; I513-I517 PolarHBondContact O-N 3.27Å; I513-L562 HydrophobicContact CD1-CB 3.55Å; I513-L562 HydrophobicContact CG1-CB 4.47Å; I513-L563 HydrophobicContact CD1-CD2 4.4Å; I513-L563 HydrophobicContact CG2-CD2 4.17Å; I513-L570 HydrophobicContact CB-CD1 4.05Å; I513-F604 HydrophobicContact CG1-CE2 4.24Å; I513-F604 HydrophobicContact CG1-CZ 4.03Å
514D87.1Confident85.9Confident5 Ų541.1 Ų41.13%0.02720%0.199CC..Hα-helixtrans-63.6-35.3-177.8-90.118.8000112.2Y392 R504 P511 A512 H518Y392-D514 WeakPolarHBondContact CE1-OD2 3.21Å; Y392-D514 VanDerWaalsContact OH-CG 3.22Å; Y392-D514 PolarHBondContact OH-OD1 2.9Å; Y392-D514 PolarHBondContact OH-OD2 3.38Å; Y392-D514 VanDerWaalsContact OH-OD2 3.04Å; R504-D514 PolarHBondContact NH1-O 3.16Å; P511-D514 VanDerWaalsContact O-CB 3.26Å; P511-D514 WeakPolarHBondContact O-CB 3.43Å; P511-D514 PolarHBondContact O-N 3.04Å; A512-D514 VanDerWaalsContact C-N 3.26Å; A512-D514 PolarHBondContact O-N 3.02Å; D514-H518 VanDerWaalsContact O-CB 3.25Å; D514-H518 WeakPolarHBondContact O-CB 3.35Å; D514-H518 PolarHBondContact O-N 2.73Å
515G89.2Confident86.6Confident22 Ų2240.8 Ų40.823%0.22720%0.201CC..Hα-helixtrans-68.4-38.9174.800000111.5A512 I513 H518 N519 G607A512-G515 PolarHBondContact O-N 3.32Å; I513-G515 VanDerWaalsContact C-N 3.29Å; I513-G515 PolarHBondContact O-N 2.99Å; G515-H518 WeakPolarHBondContact O-CB 3.36Å; G515-H518 PolarHBondContact O-N 3.01Å; G515-N519 PolarHBondContact O-N 2.77Å; G515-G607 CarbonylContact C-O 3.54Å; G515-G607 WeakPolarHBondContact CA-O 3.06Å; G515-G607 WeakPolarHBondContact O-CA 3.28Å
516G91.9Very high87.1Confident0 Ų036.7 Ų36.70%020%0.2CC..Hα-helixtrans-65.1-48.7174.500000113.2I513 H518 N519 M520 F604 G607I513-G516 PolarHBondContact O-N 3.04Å; I513-G516 VanDerWaalsContact O-N 3.1Å; G516-H518 VanDerWaalsContact C-N 3.29Å; G516-H518 PolarHBondContact O-N 2.75Å; G516-N519 PolarHBondContact O-N 2.81Å; G516-M520 VanDerWaalsContact O-CB 3.27Å; G516-M520 WeakPolarHBondContact O-CB 3.33Å; G516-M520 PolarHBondContact O-N 3.38Å; G516-F604 WeakPolarHBondContact CA-O 3.19Å; G516-F604 WeakPolarHBondContact O-CD2 3.22Å; G516-G607 VanDerWaalsContact N-C 3.34Å; G516-G607 PolarHBondContact N-O 3.39Å
517I90.2Very high87.5Confident30 Ų3036.7 Ų36.715%0.15421%0.21CC..Hα-helixtrans-59.5-42.9175.2-66.7172.3000110.1F473 I513 F521 F604F473-I517 HydrophobicContact CE1-CG2 3.86Å; I513-I517 HydrophobicContact CD1-CD1 4.08Å; I513-I517 HydrophobicContact CG1-CD1 3.95Å; I513-I517 HydrophobicContact CG1-CG1 4.2Å; I513-I517 WeakPolarHBondContact O-CG1 3.33Å; I513-I517 PolarHBondContact O-N 3.27Å; I517-F521 HydrophobicContact CG2-CD2 3.98Å; I517-F521 HydrophobicContact CG2-CE2 4.34Å; I517-F521 PolarHBondContact O-N 3.43Å; I517-F604 HydrophobicContact CG1-CE2 4.12Å
518H90.5Very high88.3Confident51 Ų5139.3 Ų39.324%0.23622%0.219CC..Hα-helixtrans-55.7-61175.5178.5-117.9000112.3F497 F501 D514 G515 G516 M520 F521 Y522F497-H518 AromaticContact CZ-CD2 3.88Å; F501-H518 HydrophobicContact CD1-CB 4.49Å; F501-H518 AromaticContact CD1-CD2 3.31Å; F501-H518 WeakPolarHBondContact CD1-CD2 3.44Å; F501-H518 HydrophobicContact CE1-CB 3.41Å; F501-H518 VanDerWaalsContact CE1-CB 3.41Å; F501-H518 AromaticContact CE1-CD2 3.06Å; F501-H518 WeakPolarHBondContact CE1-CD2 3.27Å; F501-H518 AromaticContact CE1-CG 3.44Å; F501-H518 VanDerWaalsContact CE1-CG 3.44Å; F501-H518 HydrophobicContact CZ-CB 3.54Å; F501-H518 AromaticContact CZ-CD2 3.78Å; D514-H518 VanDerWaalsContact O-CB 3.25Å; D514-H518 WeakPolarHBondContact O-CB 3.35Å; D514-H518 PolarHBondContact O-N 2.73Å; G515-H518 WeakPolarHBondContact O-CB 3.36Å; G515-H518 PolarHBondContact O-N 3.01Å; G516-H518 VanDerWaalsContact C-N 3.29Å; G516-H518 PolarHBondContact O-N 2.75Å; H518-M520 VanDerWaalsContact C-N 3.28Å; H518-M520 PolarHBondContact O-N 3.46Å; H518-F521 PolarHBondContact O-N 2.87Å; H518-Y522 WeakPolarHBondContact O-CB 3.36Å; H518-Y522 PolarHBondContact O-N 2.64Å
519N91.5Very high89.1Confident14 Ų1437.2 Ų37.28%0.07520%0.201CC..Hα-helixtrans-62.3-38.4-174.5-86.41.7000111.5R120 G515 G516 Y523 S603 G607R120-N519 PolarHBondContact NH1-ND2 3.08Å; R120-N519 PolarHBondContact NH2-OD1 3.37Å; G515-N519 PolarHBondContact O-N 2.77Å; G516-N519 PolarHBondContact O-N 2.81Å; N519-Y523 VanDerWaalsContact O-CB 3.23Å; N519-Y523 WeakPolarHBondContact O-CB 3.42Å; N519-Y523 PolarHBondContact O-N 3.22Å; N519-S603 WeakPolarHBondContact CB-O 3.47Å; N519-G607 WeakPolarHBondContact ND2-CA 3.33Å; N519-G607 PolarHBondContact ND2-N 3.3Å
520M92.8Very high89.8Confident0 Ų038 Ų380%022%0.215CC..Hα-helixtrans-64-48.5179-170.9-165.363.300112.6F478 I483 G516 H518 V524 I600 F604F478-M520 HydrophobicContact CD2-CE 3.58Å; F478-M520 HydrophobicContact CD2-SD 4.35Å; F478-M520 HydrophobicContact CE2-CE 3.4Å; F478-M520 VanDerWaalsContact CE2-CE 3.4Å; F478-M520 HydrophobicContact CE2-SD 3.63Å; F478-M520 HydrophobicContact CZ-SD 4.45Å; I483-M520 HydrophobicContact CG1-SD 4.34Å; I483-M520 HydrophobicContact CG2-CE 3.7Å; G516-M520 VanDerWaalsContact O-CB 3.27Å; G516-M520 WeakPolarHBondContact O-CB 3.33Å; G516-M520 PolarHBondContact O-N 3.38Å; H518-M520 VanDerWaalsContact C-N 3.28Å; H518-M520 PolarHBondContact O-N 3.46Å; M520-V524 PolarHBondContact O-N 3.35Å; M520-I600 HydrophobicContact CG-CG2 3.49Å; M520-I600 VanDerWaalsContact CG-CG2 3.49Å; M520-I600 HydrophobicContact SD-CG2 3.64Å; M520-F604 HydrophobicContact CB-CB 4.15Å; M520-F604 HydrophobicContact CG-CB 4.49Å
521F92.7Very high90.6Very high0 Ų033.4 Ų33.40%020%0.201CC..Hα-helixtrans-75.1-32.8178.3-88.2-92.6000112.3F473 I483 I484 F497 I517 H518 Y523 V524 C525F473-F521 HydrophobicContact CE1-CD2 4.41Å; F473-F521 HydrophobicContact CE1-CE2 4.06Å; F473-F521 HydrophobicContact CE1-CZ 4.26Å; F473-F521 HydrophobicContact CE2-CD1 4.25Å; F473-F521 AromaticContact CE2-CE1 3.94Å; F473-F521 HydrophobicContact CE2-CE1 3.94Å; F473-F521 HydrophobicContact CE2-CZ 4.13Å; F473-F521 AromaticContact CZ-CD1 3.87Å; F473-F521 HydrophobicContact CZ-CD1 3.87Å; F473-F521 AromaticContact CZ-CD2 3.79Å; F473-F521 HydrophobicContact CZ-CD2 3.79Å; F473-F521 AromaticContact CZ-CE1 3.6Å; F473-F521 HydrophobicContact CZ-CE1 3.6Å; F473-F521 AromaticContact CZ-CE2 3.52Å; F473-F521 HydrophobicContact CZ-CE2 3.52Å; F473-F521 AromaticContact CZ-CG 3.97Å; F473-F521 HydrophobicContact CZ-CG 3.97Å; F473-F521 AromaticContact CZ-CZ 3.42Å; F473-F521 HydrophobicContact CZ-CZ 3.42Å; F473-F521 VanDerWaalsContact CZ-CZ 3.42Å; I483-F521 HydrophobicContact CG2-CD1 4.36Å; I483-F521 HydrophobicContact CG2-CD2 4.37Å; I483-F521 HydrophobicContact CG2-CE1 3.78Å; I483-F521 HydrophobicContact CG2-CE2 3.78Å; I483-F521 HydrophobicContact CG2-CZ 3.46Å; I483-F521 VanDerWaalsContact CG2-CZ 3.46Å; I484-F521 HydrophobicContact CG2-CE1 3.8Å; I484-F521 HydrophobicContact CG2-CZ 3.63Å; F497-F521 HydrophobicContact CD1-CB 4.22Å; F497-F521 HydrophobicContact CD2-CB 3.37Å; F497-F521 HydrophobicContact CD2-CD1 4.17Å; F497-F521 HydrophobicContact CD2-CD2 4.49Å; F497-F521 AromaticContact CD2-CG 3.8Å; F497-F521 HydrophobicContact CD2-CG 3.8Å; F497-F521 HydrophobicContact CE1-CB 4.03Å; F497-F521 HydrophobicContact CE2-CB 3.12Å; F497-F521 AromaticContact CE2-CG 3.97Å; F497-F521 HydrophobicContact CE2-CG 3.97Å; F497-F521 HydrophobicContact CG-CB 3.92Å; F497-F521 HydrophobicContact CG-CD1 4.4Å; F497-F521 HydrophobicContact CG-CG 4.39Å; F497-F521 HydrophobicContact CZ-CB 3.49Å; F497-F521 VanDerWaalsContact CZ-CB 3.49Å; I517-F521 HydrophobicContact CG2-CD2 3.98Å; I517-F521 HydrophobicContact CG2-CE2 4.34Å; I517-F521 PolarHBondContact O-N 3.43Å; H518-F521 PolarHBondContact O-N 2.87Å; F521-Y523 VanDerWaalsContact C-N 3.35Å; F521-V524 PolarHBondContact O-N 2.81Å; F521-C525 WeakPolarHBondContact O-CB 3.27Å; F521-C525 PolarHBondContact O-N 3.46Å; F521-C525 PolarHBondContact O-SG 2.88Å
522Y91.5Very high91.2Very high111 Ų11132.5 Ų32.544%0.43520%0.195SC..Hα-helixtrans-61.2-44.7172.7-177.2-91.4000111.1H518 V524 G526H518-Y522 WeakPolarHBondContact O-CB 3.36Å; H518-Y522 PolarHBondContact O-N 2.64Å; Y522-V524 PolarHBondContact O-N 2.04Å; Y522-G526 WeakPolarHBondContact O-CA 3.21Å; Y522-G526 PolarHBondContact O-N 3.22Å
523Y92.2Very high91.7Very high22 Ų2235.7 Ų35.79%0.08620%0.204CC..Hα-helixtrans-57.6-45.8175-176-104.4000112.3E116 N519 F521 R528 L599E116-Y523 WeakPolarHBondContact OE1-CE2 3.49Å; N519-Y523 VanDerWaalsContact O-CB 3.23Å; N519-Y523 WeakPolarHBondContact O-CB 3.42Å; N519-Y523 PolarHBondContact O-N 3.22Å; F521-Y523 VanDerWaalsContact C-N 3.35Å; Y523-R528 HydrophobicContact CD1-CB 4.49Å; Y523-R528 HydrophobicContact CD1-CG 4.14Å; Y523-R528 HydrophobicContact CD2-CG 4.38Å; Y523-R528 HydrophobicContact CE1-CB 4.28Å; Y523-R528 HydrophobicContact CE1-CG 3.73Å; Y523-R528 HydrophobicContact CE2-CG 4.01Å; Y523-R528 HydrophobicContact CG-CG 4.44Å; Y523-R528 WeakPolarHBondContact O-CB 2.9Å; Y523-R528 WeakPolarHBondContact O-CG 3.41Å; Y523-R528 PolarHBondContact O-N 2.98Å; Y523-R528 PolarHBondContact OH-NE 3.12Å; Y523-R528 VanDerWaalsContact OH-NE 3.16Å; Y523-L599 HydrophobicContact CE1-CB 3.99Å; Y523-L599 WeakPolarHBondContact OH-CD1 3.12Å
524V93.9Very high92Very high0 Ų042 Ų420%023%0.234CC..Hα-helixtrans-80.8-44.9-176.61670000113.9I483 I490 M520 F521 Y522 G526 R528 L529 F532 F596 I600I483-V524 HydrophobicContact CD1-CB 3.85Å; I483-V524 HydrophobicContact CD1-CG1 3.84Å; I483-V524 HydrophobicContact CD1-CG2 3.2Å; I490-V524 HydrophobicContact CD1-CG1 4.36Å; M520-V524 PolarHBondContact O-N 3.35Å; F521-V524 PolarHBondContact O-N 2.81Å; Y522-V524 PolarHBondContact O-N 2.04Å; V524-G526 VanDerWaalsContact C-N 3.35Å; V524-R528 CarbonylContact O-C 3.58Å; V524-L529 WeakPolarHBondContact O-CA 3.24Å; V524-L529 WeakPolarHBondContact O-CB 3.31Å; V524-L529 PolarHBondContact O-N 2.79Å; V524-F532 HydrophobicContact CG1-CB 3.88Å; V524-F532 HydrophobicContact CG1-CD2 3.91Å; V524-F532 HydrophobicContact CG1-CG 3.92Å; V524-F596 HydrophobicContact CG2-CZ 4.17Å; V524-I600 HydrophobicContact CG2-CD1 4.34Å; V524-I600 HydrophobicContact CG2-CG1 3.95Å
525C94.8Very high92.3Very high22 Ų2242.8 Ų42.815%0.14924%0.237CC..Hα-helixtrans-77.9-20.9-178.7-64.40000113.4C494 F521C494-C525 WeakPolarHBondContact CA-SG 3.2Å; C494-C525 HydrophobicContact CB-CB 3.57Å; C494-C525 WeakPolarHBondContact CB-SG 3.44Å; C494-C525 WeakPolarHBondContact SG-CA 3.45Å; C494-C525 WeakPolarHBondContact SG-CB 3.33Å; C494-C525 CovalentContact SG-SG 2.03Å; C494-C525 PolarHBondContact SG-SG 2.79Å; F521-C525 WeakPolarHBondContact O-CB 3.27Å; F521-C525 PolarHBondContact O-N 3.46Å; F521-C525 PolarHBondContact O-SG 2.88Å
526G91.5Very high92.4Very high46 Ų4642.1 Ų42.147%0.47423%0.229SC..THydrogen-bonded Turntrans-83.1-102.5169.700000111.5Y522 V524 R528Y522-G526 WeakPolarHBondContact O-CA 3.21Å; Y522-G526 PolarHBondContact O-N 3.22Å; V524-G526 VanDerWaalsContact C-N 3.35Å; G526-R528 PolarHBondContact O-N 3.31Å
527T87.2Confident92.4Very high120 Ų12050 Ų5074%0.73627%0.266SS*.THydrogen-bonded Turntrans-80.3-12.8-164.6510000115.3
528R93Very high92.6Very high69 Ų6950.3 Ų50.326%0.2627%0.27SS..THydrogen-bonded Turntrans-12218.1-169.2-51.3-71.7-90.1151.2-6.8114.9Y523 V524 G526 G530 D531 F532 F596Y523-R528 HydrophobicContact CD1-CB 4.49Å; Y523-R528 HydrophobicContact CD1-CG 4.14Å; Y523-R528 HydrophobicContact CD2-CG 4.38Å; Y523-R528 HydrophobicContact CE1-CB 4.28Å; Y523-R528 HydrophobicContact CE1-CG 3.73Å; Y523-R528 HydrophobicContact CE2-CG 4.01Å; Y523-R528 HydrophobicContact CG-CG 4.44Å; Y523-R528 WeakPolarHBondContact O-CB 2.9Å; Y523-R528 WeakPolarHBondContact O-CG 3.41Å; Y523-R528 PolarHBondContact O-N 2.98Å; Y523-R528 PolarHBondContact OH-NE 3.12Å; Y523-R528 VanDerWaalsContact OH-NE 3.16Å; V524-R528 CarbonylContact O-C 3.58Å; G526-R528 PolarHBondContact O-N 3.31Å; R528-G530 VanDerWaalsContact C-N 3.26Å; R528-G530 PolarHBondContact O-N 3.34Å; R528-D531 WeakPolarHBondContact CD-OD2 3.45Å; R528-D531 IonicContact CZ-OD1 3.84Å; R528-D531 IonicContact CZ-OD2 2.83Å; R528-D531 IonicContact NE-OD2 3.44Å; R528-D531 IonicContact NH1-OD1 2.78Å; R528-D531 PolarHBondContact NH1-OD1 2.85Å; R528-D531 IonicContact NH1-OD2 3.52Å; R528-D531 PolarHBondContact NH1-OD2 2.81Å; R528-D531 PolarHBondContact O-N 2.8Å; R528-F532 PolarHBondContact O-N 3.18Å; R528-F596 HydrophobicContact CB-CE2 4.05Å
529L93.9Very high92.7Very high40 Ų4047.9 Ų47.921%0.20926%0.259CS..Hα-helixtrans-64.8-32.5-178.6-176.158.7000112I490 V524 K533I490-L529 HydrophobicContact CG1-CD1 3.69Å; I490-L529 HydrophobicContact CG2-CD1 4.27Å; V524-L529 WeakPolarHBondContact O-CA 3.24Å; V524-L529 WeakPolarHBondContact O-CB 3.31Å; V524-L529 PolarHBondContact O-N 2.79Å; L529-K533 WeakPolarHBondContact O-CG 3.42Å; L529-K533 PolarHBondContact O-N 2.92Å; L529-K533 VanDerWaalsContact O-N 3.09Å
530G93.2Very high92.7Very high52 Ų5248.8 Ų48.854%0.53627%0.267SS..Hα-helixtrans-64.3-47.9173.100000112.4R528 K533 Q534R528-G530 VanDerWaalsContact C-N 3.26Å; R528-G530 PolarHBondContact O-N 3.34Å; G530-K533 PolarHBondContact O-N 3.09Å; G530-Q534 PolarHBondContact O-N 2.91Å
531D92.6Very high92.6Very high46 Ų4651 Ų5125%0.24628%0.282CS..Hα-helixtrans-63.3-43.4176.8-52.2-86.6000111.1R528 K533 Q534 Q535 F596R528-D531 WeakPolarHBondContact CD-OD2 3.45Å; R528-D531 IonicContact CZ-OD1 3.84Å; R528-D531 IonicContact CZ-OD2 2.83Å; R528-D531 IonicContact NE-OD2 3.44Å; R528-D531 IonicContact NH1-OD1 2.78Å; R528-D531 PolarHBondContact NH1-OD1 2.85Å; R528-D531 IonicContact NH1-OD2 3.52Å; R528-D531 PolarHBondContact NH1-OD2 2.81Å; R528-D531 PolarHBondContact O-N 2.8Å; D531-K533 PolarHBondContact O-N 3.35Å; D531-Q534 WeakPolarHBondContact O-CB 3.29Å; D531-Q534 PolarHBondContact O-N 3.35Å; D531-Q534 VanDerWaalsContact O-N 3.1Å; D531-Q535 WeakPolarHBondContact O-CG 3.11Å; D531-Q535 PolarHBondContact O-N 3.4Å; D531-F596 HydrophobicContact CB-CD2 4.05Å; D531-F596 HydrophobicContact CB-CE2 3.88Å; D531-F596 HydrophobicContact CB-CZ 4.47Å
532F93.9Very high92.5Very high0 Ų051.4 Ų51.40%028%0.284CS..Hα-helixtrans-52.9-54.8173.9-177.7-92.5000110.9H482 I483 I484 V487 I490 V524 R528 Q534 Q535 S536 F596H482-F532 WeakPolarHBondContact O-CE2 3.43Å; H482-F532 WeakPolarHBondContact O-CZ 3.47Å; I483-F532 HydrophobicContact CB-CE2 3.99Å; I483-F532 HydrophobicContact CD1-CD2 3.82Å; I483-F532 HydrophobicContact CD1-CE2 3.82Å; I483-F532 HydrophobicContact CG1-CE2 4.06Å; I484-F532 HydrophobicContact CG1-CZ 4.48Å; V487-F532 HydrophobicContact CG1-CE1 4.42Å; V487-F532 HydrophobicContact CG2-CE1 4.44Å; V487-F532 HydrophobicContact CG2-CZ 4.14Å; I490-F532 HydrophobicContact CB-CD1 4.12Å; I490-F532 HydrophobicContact CB-CE1 3.74Å; I490-F532 HydrophobicContact CD1-CD1 4.13Å; I490-F532 HydrophobicContact CD1-CE1 3.84Å; I490-F532 HydrophobicContact CD1-CZ 4.1Å; I490-F532 HydrophobicContact CG1-CD1 3.64Å; I490-F532 HydrophobicContact CG1-CE1 3.59Å; I490-F532 HydrophobicContact CG1-CG 4.43Å; I490-F532 HydrophobicContact CG1-CZ 4.36Å; I490-F532 HydrophobicContact CG2-CD1 4.18Å; I490-F532 HydrophobicContact CG2-CE1 4.09Å; V524-F532 HydrophobicContact CG1-CB 3.88Å; V524-F532 HydrophobicContact CG1-CD2 3.91Å; V524-F532 HydrophobicContact CG1-CG 3.92Å; R528-F532 PolarHBondContact O-N 3.18Å; F532-Q534 PolarHBondContact O-N 3.1Å; F532-Q535 PolarHBondContact O-N 3.42Å; F532-Q535 VanDerWaalsContact O-N 3.17Å; F532-S536 WeakPolarHBondContact O-CA 3.27Å; F532-S536 WeakPolarHBondContact O-CB 3.34Å; F532-S536 PolarHBondContact O-N 2.82Å; F532-S536 PolarHBondContact O-OG 2.9Å; F532-F596 VanDerWaalsContact CA-CZ 3.43Å; F532-F596 HydrophobicContact CB-CE1 4.08Å; F532-F596 HydrophobicContact CB-CZ 3.68Å; F532-F596 AromaticContact CD2-CE1 3.86Å; F532-F596 HydrophobicContact CD2-CE1 3.86Å; F532-F596 HydrophobicContact CD2-CZ 4.01Å; F532-F596 HydrophobicContact CG-CE1 4.41Å; F532-F596 HydrophobicContact CG-CZ 4.36Å
533K94.5Very high92.3Very high93 Ų9346.2 Ų46.240%0.40426%0.264SS..Hα-helixtrans-60.2-30.3-179.4-71.9179.6-173.6-175.30112.9I490 D491 L529 G530 D531 S536I490-K533 HydrophobicContact CG2-CG 4.26Å; D491-K533 VanDerWaalsContact OD1-CE 3.26Å; D491-K533 WeakPolarHBondContact OD1-CE 3.04Å; D491-K533 IonicContact OD1-NZ 2.68Å; D491-K533 PolarHBondContact OD1-NZ 2.93Å; D491-K533 IonicContact OD2-NZ 2.61Å; D491-K533 PolarHBondContact OD2-NZ 3.33Å; L529-K533 WeakPolarHBondContact O-CG 3.42Å; L529-K533 PolarHBondContact O-N 2.92Å; L529-K533 VanDerWaalsContact O-N 3.09Å; G530-K533 PolarHBondContact O-N 3.09Å; D531-K533 PolarHBondContact O-N 3.35Å; K533-S536 PolarHBondContact O-OG 3.4Å
534Q94.1Very high92Very high140 Ų14051 Ų5165%0.65429%0.291SS*.Hα-helixtrans-73.1-42.9175.7-170.3-172.322.200112.8G530 D531 F532G530-Q534 PolarHBondContact O-N 2.91Å; D531-Q534 WeakPolarHBondContact O-CB 3.29Å; D531-Q534 PolarHBondContact O-N 3.35Å; D531-Q534 VanDerWaalsContact O-N 3.1Å; F532-Q534 PolarHBondContact O-N 3.1Å
535Q93.4Very high91.7Very high21 Ų2152.2 Ų52.210%0.09830%0.299CS..Hα-helixtrans-86.7-19.2-175.8-52.5-54.4-47.400113.2D531 F532 E537 C538 L539 S593 F596D531-Q535 WeakPolarHBondContact O-CG 3.11Å; D531-Q535 PolarHBondContact O-N 3.4Å; F532-Q535 PolarHBondContact O-N 3.42Å; F532-Q535 VanDerWaalsContact O-N 3.17Å; Q535-E537 PolarHBondContact O-N 2.86Å; Q535-C538 PolarHBondContact O-N 3.22Å; Q535-L539 HydrophobicContact CB-CD1 3.75Å; Q535-L539 HydrophobicContact CB-CG 4.35Å; Q535-L539 WeakPolarHBondContact O-CG 3.36Å; Q535-L539 PolarHBondContact O-N 2.83Å; Q535-L539 VanDerWaalsContact O-N 3.12Å; Q535-S593 PolarHBondContact OE1-OG 3.17Å; Q535-F596 HydrophobicContact CB-CD1 3.95Å; Q535-F596 HydrophobicContact CB-CE1 4.45Å; Q535-F596 HydrophobicContact CG-CB 4.26Å; Q535-F596 HydrophobicContact CG-CD1 3.92Å; Q535-F596 HydrophobicContact CG-CG 4.18Å
536S91.6Very high91.4Very high8 Ų857.8 Ų57.86%0.05632%0.323CS..Hα-helixtrans-63.8-34.3-163.860.50000115.3V487 F532 K533 L539 S540V487-S536 WeakPolarHBondContact CG1-OG 3.48Å; F532-S536 WeakPolarHBondContact O-CA 3.27Å; F532-S536 WeakPolarHBondContact O-CB 3.34Å; F532-S536 PolarHBondContact O-N 2.82Å; F532-S536 PolarHBondContact O-OG 2.9Å; K533-S536 PolarHBondContact O-OG 3.4Å; S536-L539 PolarHBondContact O-N 2.94Å; S536-S540 WeakPolarHBondContact O-CB 3.34Å; S536-S540 PolarHBondContact O-N 3.34Å
537E91.6Very high90.9Very high165 Ų16558.8 Ų58.877%0.77132%0.321SS*.Hα-helixtrans-60.9-48.1178-175.6177.2-175.900111Q535 S540 S541Q535-E537 PolarHBondContact O-N 2.86Å; E537-S540 PolarHBondContact O-N 2.85Å; E537-S541 PolarHBondContact O-N 3.41Å
538C93.8Very high90.9Very high37 Ų3753 Ų5325%0.2529%0.286CS..Hα-helixtrans-70.2-40.6178.7-166.70000112Q535 S540 S541 M542 C589Q535-C538 PolarHBondContact O-N 3.22Å; C538-S540 VanDerWaalsContact C-N 3.31Å; C538-S540 PolarHBondContact O-N 2.81Å; C538-S541 CarbonylContact O-C 3.5Å; C538-S541 WeakPolarHBondContact O-CA 3.32Å; C538-S541 WeakPolarHBondContact O-CB 3.31Å; C538-S541 PolarHBondContact O-N 2.72Å; C538-S541 VanDerWaalsContact O-N 3.09Å; C538-S541 PolarHBondContact O-OG 3.31Å; C538-M542 PolarHBondContact O-N 3.47Å; C538-C589 HydrophobicContact CB-CB 3.73Å; C538-C589 WeakPolarHBondContact CB-SG 3.43Å; C538-C589 PolarHBondContact O-SG 3.36Å; C538-C589 WeakPolarHBondContact SG-CA 3.28Å; C538-C589 WeakPolarHBondContact SG-CB 3.4Å; C538-C589 CovalentContact SG-SG 2.03Å; C538-C589 PolarHBondContact SG-SG 3.43Å
539L93.7Very high90.7Very high0 Ų052.9 Ų52.90%029%0.29CS..Hα-helixtrans-62.4-36.3176.5-66.7173000112.4V481 H482 Q535 S536 M542 S543 V585 F596V481-L539 HydrophobicContact CG1-CB 4.44Å; V481-L539 HydrophobicContact CG1-CD2 4.03Å; H482-L539 HydrophobicContact CB-CB 4.01Å; Q535-L539 HydrophobicContact CB-CD1 3.75Å; Q535-L539 HydrophobicContact CB-CG 4.35Å; Q535-L539 WeakPolarHBondContact O-CG 3.36Å; Q535-L539 PolarHBondContact O-N 2.83Å; Q535-L539 VanDerWaalsContact O-N 3.12Å; S536-L539 PolarHBondContact O-N 2.94Å; L539-M542 WeakPolarHBondContact O-CB 3.18Å; L539-M542 PolarHBondContact O-N 2.9Å; L539-M542 VanDerWaalsContact O-N 3.14Å; L539-S543 PolarHBondContact O-N 2.85Å; L539-S543 PolarHBondContact O-OG 3.33Å; L539-V585 HydrophobicContact CD2-CG1 3.53Å; L539-V585 HydrophobicContact CD2-CG2 4.26Å; L539-F596 HydrophobicContact CD1-CD1 3.96Å; L539-F596 HydrophobicContact CD1-CE1 4.31Å
540S91.5Very high90.4Very high33 Ų3352.8 Ų52.823%0.23129%0.292CS..Hα-helixtrans-66.3-38.9171.2-169.80000112.3S536 E537 C538 M542 S543 N544S536-S540 WeakPolarHBondContact O-CB 3.34Å; S536-S540 PolarHBondContact O-N 3.34Å; E537-S540 PolarHBondContact O-N 2.85Å; C538-S540 VanDerWaalsContact C-N 3.31Å; C538-S540 PolarHBondContact O-N 2.81Å; S540-M542 PolarHBondContact O-N 3.38Å; S540-S543 WeakPolarHBondContact CA-OG 3.26Å; S540-S543 PolarHBondContact O-OG 3.49Å; S540-N544 PolarHBondContact O-N 2.91Å; S540-N544 PolarHBondContact O-ND2 3.03Å
541S90.3Very high90.2Very high46 Ų4650.5 Ų50.532%0.32227%0.267SS..Hα-helixtrans-65.8-19.6172.292.30000113E537 C538 K588E537-S541 PolarHBondContact O-N 3.41Å; C538-S541 CarbonylContact O-C 3.5Å; C538-S541 WeakPolarHBondContact O-CA 3.32Å; C538-S541 WeakPolarHBondContact O-CB 3.31Å; C538-S541 PolarHBondContact O-N 2.72Å; C538-S541 VanDerWaalsContact O-N 3.09Å; C538-S541 PolarHBondContact O-OG 3.31Å; S541-K588 PolarHBondContact O-NZ 2.9Å; S541-K588 PolarHBondContact OG-NZ 3.09Å
542M90.3Very high90.2Very high9 Ų949 Ų494%0.04426%0.259CS..Hα-helixtrans-90.5-42.7179.4-83.3-60.3-69.800112.7V481 C538 L539 S540 N544 S545 I548 R584 V585 K588V481-M542 HydrophobicContact CG1-CB 4.13Å; C538-M542 PolarHBondContact O-N 3.47Å; L539-M542 WeakPolarHBondContact O-CB 3.18Å; L539-M542 PolarHBondContact O-N 2.9Å; L539-M542 VanDerWaalsContact O-N 3.14Å; S540-M542 PolarHBondContact O-N 3.38Å; M542-N544 VanDerWaalsContact C-N 3.26Å; M542-N544 PolarHBondContact O-N 3.41Å; M542-S545 VanDerWaalsContact O-CB 3.26Å; M542-S545 WeakPolarHBondContact O-CB 3.21Å; M542-S545 PolarHBondContact O-N 3.25Å; M542-S545 PolarHBondContact O-OG 3.32Å; M542-I548 HydrophobicContact CE-CD1 3.82Å; M542-I548 HydrophobicContact CE-CG1 3.64Å; M542-I548 WeakPolarHBondContact O-CB 3.16Å; M542-I548 WeakPolarHBondContact O-CG1 3.38Å; M542-R584 VanDerWaalsContact CE-C 3.41Å; M542-R584 HydrophobicContact CE-CB 3.72Å; M542-R584 VanDerWaalsContact CE-O 3.29Å; M542-R584 WeakPolarHBondContact CE-O 3.39Å; M542-V585 HydrophobicContact CE-CG2 4.15Å; M542-K588 HydrophobicContact CG-CB 4.32Å; M542-K588 HydrophobicContact CG-CD 3.89Å; M542-K588 HydrophobicContact SD-CB 3.67Å; M542-K588 HydrophobicContact SD-CD 3.2Å; M542-K588 WeakPolarHBondContact SD-CD 3.17Å; M542-K588 HydrophobicContact SD-CG 4.06Å
543S87.8Confident90Very high1 Ų156.2 Ų56.21%0.00729%0.29CS..Hα-helixtrans-57-40.4175.155.10000112.2H479 H482 L539 S540 S545 N549H479-S543 WeakPolarHBondContact CE1-CB 3.29Å; H479-S543 WeakPolarHBondContact NE2-CB 3.2Å; H482-S543 WeakPolarHBondContact CE1-CB 3.03Å; H482-S543 WeakPolarHBondContact ND1-CB 3.25Å; H482-S543 PolarHBondContact ND1-OG 3.22Å; H482-S543 WeakPolarHBondContact NE2-CB 3.47Å; L539-S543 PolarHBondContact O-N 2.85Å; L539-S543 PolarHBondContact O-OG 3.33Å; S540-S543 WeakPolarHBondContact CA-OG 3.26Å; S540-S543 PolarHBondContact O-OG 3.49Å; S543-S545 PolarHBondContact O-N 3.3Å; S543-N549 PolarHBondContact O-ND2 3.26Å
544N85.8Confident89.7Confident122 Ų12256.6 Ų56.665%0.65230%0.297SS*.THydrogen-bonded Turntrans-73.9-1.6176.3-69.8-71.5000114.4S540 M542S540-N544 PolarHBondContact O-N 2.91Å; S540-N544 PolarHBondContact O-ND2 3.03Å; M542-N544 VanDerWaalsContact C-N 3.26Å; M542-N544 PolarHBondContact O-N 3.41Å
545S86.9Confident89.5Confident26 Ų2651.9 Ų51.918%0.18228%0.276CS..SBendtrans-81138.8179.377.50000112.1M542 S543 P547 I548 N549M542-S545 VanDerWaalsContact O-CB 3.26Å; M542-S545 WeakPolarHBondContact O-CB 3.21Å; M542-S545 PolarHBondContact O-N 3.25Å; M542-S545 PolarHBondContact O-OG 3.32Å; S543-S545 PolarHBondContact O-N 3.3Å; S545-P547 VanDerWaalsContact C-CD 3.49Å; S545-I548 PolarHBondContact O-N 2.67Å; S545-I548 WeakPolarHBondContact OG-CB 3.41Å; S545-I548 VanDerWaalsContact OG-CG1 3.26Å; S545-I548 WeakPolarHBondContact OG-CG1 3.39Å; S545-N549 PolarHBondContact O-N 2.73Å; S545-N549 PolarHBondContact O-ND2 3.37Å
546Q87.6Confident89.2Confident139 Ų13953 Ų5365%0.6529%0.286SS*.Hα-helixtrans-56.5-41.5179.4-172.865.316.300113.6I548 N549 V550Q546-I548 VanDerWaalsContact C-N 3.32Å; Q546-I548 PolarHBondContact O-N 3.27Å; Q546-N549 PolarHBondContact O-N 3.3Å; Q546-V550 HydrophobicContact CG-CG2 4.35Å; Q546-V550 WeakPolarHBondContact O-CG2 3.47Å; Q546-V550 PolarHBondContact O-N 3.28Å
547P82Confident89Confident67 Ų6752.7 Ų52.744%0.43528%0.284SS..Hα-helixtrans-62.6-35.7178.3-23.835.8000113.4S545 C551S545-P547 VanDerWaalsContact C-CD 3.49Å; P547-C551 WeakPolarHBondContact O-CB 3.5Å; P547-C551 PolarHBondContact O-N 2.95Å
548I88Confident88.7Confident0 Ų047.4 Ų47.40%026%0.263CS..Hα-helixtrans-72.3-41.8176.1-68.9-66.1000111.2V481 M542 S545 Q546 V550 C551 I552 T581 R584V481-I548 HydrophobicContact CG2-CG2 3.81Å; M542-I548 HydrophobicContact CE-CD1 3.82Å; M542-I548 HydrophobicContact CE-CG1 3.64Å; M542-I548 WeakPolarHBondContact O-CB 3.16Å; M542-I548 WeakPolarHBondContact O-CG1 3.38Å; S545-I548 PolarHBondContact O-N 2.67Å; S545-I548 WeakPolarHBondContact OG-CB 3.41Å; S545-I548 VanDerWaalsContact OG-CG1 3.26Å; S545-I548 WeakPolarHBondContact OG-CG1 3.39Å; Q546-I548 VanDerWaalsContact C-N 3.32Å; Q546-I548 PolarHBondContact O-N 3.27Å; I548-V550 PolarHBondContact O-N 2.84Å; I548-C551 VanDerWaalsContact O-CB 3.3Å; I548-C551 WeakPolarHBondContact O-CB 3.47Å; I548-C551 PolarHBondContact O-N 3.25Å; I548-I552 HydrophobicContact CG2-CD1 3.63Å; I548-I552 HydrophobicContact CG2-CG1 4.32Å; I548-I552 VanDerWaalsContact O-CG1 3.26Å; I548-I552 WeakPolarHBondContact O-CG1 3.26Å; I548-I552 PolarHBondContact O-N 3.07Å; I548-T581 HydrophobicContact CD1-CG2 3.84Å; I548-R584 HydrophobicContact CD1-CB 4.05Å
549N88.4Confident88.2Confident65 Ų6549.2 Ų49.235%0.34827%0.269SS..Hα-helixtrans-65-38.4177.3-75.2-65.5000112.8S543 S545 Q546 K553S543-N549 PolarHBondContact O-ND2 3.26Å; S545-N549 PolarHBondContact O-N 2.73Å; S545-N549 PolarHBondContact O-ND2 3.37Å; Q546-N549 PolarHBondContact O-N 3.3Å; N549-K553 WeakPolarHBondContact O-CB 3.33Å; N549-K553 PolarHBondContact O-N 3.19Å; N549-K553 VanDerWaalsContact O-N 3.11Å
550V87.7Confident87.8Confident39 Ų3952.8 Ų52.824%0.23630%0.299CS..Hα-helixtrans-64.4-45.8171.6171.90000110.5Q546 I548 I552 K553 N554Q546-V550 HydrophobicContact CG-CG2 4.35Å; Q546-V550 WeakPolarHBondContact O-CG2 3.47Å; Q546-V550 PolarHBondContact O-N 3.28Å; I548-V550 PolarHBondContact O-N 2.84Å; V550-I552 PolarHBondContact O-N 2.65Å; V550-K553 PolarHBondContact O-N 2.81Å; V550-N554 WeakPolarHBondContact CG1-ND2 3.15Å; V550-N554 WeakPolarHBondContact O-CB 3.16Å; V550-N554 PolarHBondContact O-N 3.47Å; V550-N554 PolarHBondContact O-OD1 3.22Å
551C89.3Confident87.6Confident4 Ų453.9 Ų53.93%0.02730%0.3CS..Hα-helixtrans-56.2-44.9176.31770000113.3P547 I548 N555 C580P547-C551 WeakPolarHBondContact O-CB 3.5Å; P547-C551 PolarHBondContact O-N 2.95Å; I548-C551 VanDerWaalsContact O-CB 3.3Å; I548-C551 WeakPolarHBondContact O-CB 3.47Å; I548-C551 PolarHBondContact O-N 3.25Å; C551-N555 PolarHBondContact O-N 3.31Å; C551-N555 PolarHBondContact O-ND2 3.17Å; C551-C580 VanDerWaalsContact CA-SG 3.55Å; C551-C580 HydrophobicContact CB-CB 4.42Å; C551-C580 WeakPolarHBondContact CB-SG 3.48Å; C551-C580 WeakPolarHBondContact SG-CB 3.38Å; C551-C580 CovalentContact SG-SG 2.02Å; C551-C580 PolarHBondContact SG-SG 3.34Å
552I90.9Very high87.6Confident13 Ų1351.7 Ų51.77%0.06729%0.285CS..Hα-helixtrans-66.2-45.1178.9-68.7166.3000111.1H479 P480 I548 V550 S556 F557 T558 I577H479-I552 WeakPolarHBondContact CE1-CD1 3.16Å; H479-I552 WeakPolarHBondContact NE2-CD1 3.48Å; P480-I552 HydrophobicContact CG-CD1 3.6Å; P480-I552 HydrophobicContact CG-CG1 3.67Å; P480-I552 HydrophobicContact CG-CG2 4.34Å; I548-I552 HydrophobicContact CG2-CD1 3.63Å; I548-I552 HydrophobicContact CG2-CG1 4.32Å; I548-I552 VanDerWaalsContact O-CG1 3.26Å; I548-I552 WeakPolarHBondContact O-CG1 3.26Å; I548-I552 PolarHBondContact O-N 3.07Å; V550-I552 PolarHBondContact O-N 2.65Å; I552-S556 PolarHBondContact O-N 3.01Å; I552-F557 HydrophobicContact CG2-CB 4.34Å; I552-F557 PolarHBondContact O-N 3.09Å; I552-F557 VanDerWaalsContact O-N 3.12Å; I552-T558 HydrophobicContact CG2-CG2 4.5Å; I552-I577 HydrophobicContact CB-CD1 4.43Å; I552-I577 HydrophobicContact CG1-CD1 4.21Å
553K89.7Confident87.4Confident152 Ų15254.2 Ų54.266%0.66130%0.298SS*.Hα-helixtrans-69.1-36.7-179.1-174.2178.6178.9-178.90113.1N549 V550 N555 S556N549-K553 WeakPolarHBondContact O-CB 3.33Å; N549-K553 PolarHBondContact O-N 3.19Å; N549-K553 VanDerWaalsContact O-N 3.11Å; V550-K553 PolarHBondContact O-N 2.81Å; K553-N555 VanDerWaalsContact C-N 3.28Å; K553-N555 PolarHBondContact O-N 3.05Å; K553-S556 PolarHBondContact O-N 3.41Å
554N89.1Confident87.4Confident102 Ų10259.7 Ų59.755%0.54533%0.332SS..Hα-helixtrans-71.2-25.5-178.9-72.9-0.3000112.6V550V550-N554 WeakPolarHBondContact CG1-ND2 3.15Å; V550-N554 WeakPolarHBondContact O-CB 3.16Å; V550-N554 PolarHBondContact O-N 3.47Å; V550-N554 PolarHBondContact O-OD1 3.22Å
555N89.9Confident87.6Confident40 Ų4055.5 Ų55.521%0.21431%0.309CS..THydrogen-bonded Turntrans-104.620.1179.7-60.9-58.6000112.6C551 K553 F557 E576 I577C551-N555 PolarHBondContact O-N 3.31Å; C551-N555 PolarHBondContact O-ND2 3.17Å; K553-N555 VanDerWaalsContact C-N 3.28Å; K553-N555 PolarHBondContact O-N 3.05Å; N555-F557 PolarHBondContact O-N 2.99Å; N555-F557 VanDerWaalsContact O-N 3.09Å; N555-E576 HydrophobicContact CB-CB 4.11Å; N555-I577 HydrophobicContact CB-CD1 3.83Å; N555-I577 HydrophobicContact CB-CG1 4.16Å
556S87.5Confident87.8Confident44 Ų4457.9 Ų57.931%0.30832%0.32SS..THydrogen-bonded Turntrans48.636.2176.7-72.60000115.8I552 K553 T558 E561 M565I552-S556 PolarHBondContact O-N 3.01Å; K553-S556 PolarHBondContact O-N 3.41Å; S556-T558 VanDerWaalsContact C-N 3.3Å; S556-T558 PolarHBondContact O-N 3.1Å; S556-E561 VanDerWaalsContact C-OE2 3.28Å; S556-E561 VanDerWaalsContact CA-CD 3.42Å; S556-E561 WeakPolarHBondContact CA-OE1 3.23Å; S556-E561 VanDerWaalsContact CA-OE2 3.27Å; S556-E561 WeakPolarHBondContact CA-OE2 3.11Å; S556-E561 VanDerWaalsContact CB-CD 3.47Å; S556-E561 WeakPolarHBondContact CB-OE1 3.48Å; S556-E561 WeakPolarHBondContact O-CB 3.35Å; S556-E561 PolarHBondContact OG-OE1 2.84Å; S556-M565 VanDerWaalsContact O-CE 3.22Å; S556-M565 WeakPolarHBondContact O-CE 3.38Å
557F87.6Confident88Confident2 Ų252.3 Ų52.31%0.00930%0.296CS..  trans-96.739.7-178.5-150-90.6000112.2F478 P480 I552 N555 L562 A573 I577 L601 F604F478-F557 HydrophobicContact CE1-CD1 4.01Å; F478-F557 AromaticContact CE1-CE1 3.45Å; F478-F557 HydrophobicContact CE1-CE1 3.45Å; F478-F557 VanDerWaalsContact CE1-CE1 3.45Å; F478-F557 HydrophobicContact CE1-CZ 4.33Å; F478-F557 AromaticContact CZ-CE1 3.62Å; F478-F557 HydrophobicContact CZ-CE1 3.62Å; F478-F557 HydrophobicContact CZ-CZ 4.17Å; P480-F557 HydrophobicContact CB-CD1 3.68Å; P480-F557 HydrophobicContact CB-CE1 3.61Å; P480-F557 HydrophobicContact CG-CD1 3.66Å; P480-F557 HydrophobicContact CG-CE1 4.1Å; I552-F557 HydrophobicContact CG2-CB 4.34Å; I552-F557 PolarHBondContact O-N 3.09Å; I552-F557 VanDerWaalsContact O-N 3.12Å; N555-F557 PolarHBondContact O-N 2.99Å; N555-F557 VanDerWaalsContact O-N 3.09Å; F557-L562 HydrophobicContact CD1-CD1 3.86Å; F557-L562 HydrophobicContact CD2-CD1 4.41Å; F557-L562 HydrophobicContact CD2-CD2 3.62Å; F557-L562 HydrophobicContact CE1-CD1 3.99Å; F557-L562 HydrophobicContact CE2-CD2 3.82Å; F557-L562 HydrophobicContact CG-CD1 4.08Å; F557-L562 HydrophobicContact CG-CD2 3.99Å; F557-L562 HydrophobicContact CG-CG 4.45Å; F557-L562 HydrophobicContact CZ-CD1 4.31Å; F557-L562 HydrophobicContact CZ-CD2 4.38Å; F557-A573 HydrophobicContact CD2-CB 3.97Å; F557-A573 HydrophobicContact CE2-CB 4.45Å; F557-I577 HydrophobicContact CB-CD1 3.54Å; F557-I577 HydrophobicContact CB-CG1 3.46Å; F557-I577 VanDerWaalsContact CB-CG1 3.46Å; F557-I577 HydrophobicContact CD1-CG1 4.28Å; F557-I577 HydrophobicContact CD2-CB 4.36Å; F557-I577 HydrophobicContact CD2-CG1 3.59Å; F557-I577 HydrophobicContact CE2-CG1 4.38Å; F557-I577 HydrophobicContact CG-CD1 4.12Å; F557-I577 HydrophobicContact CG-CG1 3.55Å; F557-L601 HydrophobicContact CE1-CD2 4.42Å; F557-L601 HydrophobicContact CZ-CD2 4.28Å; F557-F604 HydrophobicContact CE2-CE1 4.19Å; F557-F604 HydrophobicContact CZ-CD1 4.14Å; F557-F604 AromaticContact CZ-CE1 3.82Å; F557-F604 HydrophobicContact CZ-CE1 3.82Å; F557-F604 HydrophobicContact CZ-CZ 4.23Å
558T85.7Confident88.5Confident54 Ų5453.3 Ų53.333%0.33130%0.3SS..SBendtrans-94.6152.4167.674.60000110.2I552 S556 A560 E561 L562I552-T558 HydrophobicContact CG2-CG2 4.5Å; S556-T558 VanDerWaalsContact C-N 3.3Å; S556-T558 PolarHBondContact O-N 3.1Å; T558-A560 PolarHBondContact O-N 2.66Å; T558-A560 VanDerWaalsContact O-N 3.17Å; T558-E561 WeakPolarHBondContact CB-OE2 3.42Å; T558-E561 VanDerWaalsContact CG2-OE2 3.31Å; T558-E561 WeakPolarHBondContact CG2-OE2 3.46Å; T558-E561 PolarHBondContact N-OE2 3.04Å; T558-E561 PolarHBondContact O-N 3.37Å; T558-E561 PolarHBondContact OG1-OE2 3.45Å; T558-L562 WeakPolarHBondContact O-CG 3.46Å; T558-L562 PolarHBondContact O-N 2.83Å
559I82.8Confident88.8Confident76 Ų7657.9 Ų57.939%0.3932%0.322SS..Hα-helixtrans-51.9-44.3-177.6-59.1173.6000111.4F478 E561 L562 L563F478-I559 HydrophobicContact CB-CD1 3.93Å; F478-I559 HydrophobicContact CB-CG1 4.08Å; F478-I559 HydrophobicContact CD1-CG1 4.27Å; I559-E561 VanDerWaalsContact C-N 3.28Å; I559-E561 PolarHBondContact O-N 3.34Å; I559-L562 PolarHBondContact O-N 2.97Å; I559-L563 HydrophobicContact CG2-CD1 3.97Å; I559-L563 HydrophobicContact CG2-CG 4.23Å; I559-L563 WeakPolarHBondContact O-CB 3.35Å; I559-L563 WeakPolarHBondContact O-CG 3.21Å; I559-L563 PolarHBondContact O-N 2.88Å
560A84Confident89Confident75 Ų7554.8 Ų54.862%0.6231%0.305SS*.Hα-helixtrans-63-31.4-17900000113.6T558T558-A560 PolarHBondContact O-N 2.66Å; T558-A560 VanDerWaalsContact O-N 3.17Å
561E89.2Confident89.3Confident56 Ų5653.3 Ų53.326%0.26230%0.296SS..Hα-helixtrans-81.9-45.6176.7-67.3164.2121.100110.7S556 T558 I559 L563 T564 M565S556-E561 VanDerWaalsContact C-OE2 3.28Å; S556-E561 VanDerWaalsContact CA-CD 3.42Å; S556-E561 WeakPolarHBondContact CA-OE1 3.23Å; S556-E561 VanDerWaalsContact CA-OE2 3.27Å; S556-E561 WeakPolarHBondContact CA-OE2 3.11Å; S556-E561 VanDerWaalsContact CB-CD 3.47Å; S556-E561 WeakPolarHBondContact CB-OE1 3.48Å; S556-E561 WeakPolarHBondContact O-CB 3.35Å; S556-E561 PolarHBondContact OG-OE1 2.84Å; T558-E561 WeakPolarHBondContact CB-OE2 3.42Å; T558-E561 VanDerWaalsContact CG2-OE2 3.31Å; T558-E561 WeakPolarHBondContact CG2-OE2 3.46Å; T558-E561 PolarHBondContact N-OE2 3.04Å; T558-E561 PolarHBondContact O-N 3.37Å; T558-E561 PolarHBondContact OG1-OE2 3.45Å; I559-E561 VanDerWaalsContact C-N 3.28Å; I559-E561 PolarHBondContact O-N 3.34Å; E561-L563 VanDerWaalsContact C-N 3.27Å; E561-L563 PolarHBondContact O-N 2.92Å; E561-T564 PolarHBondContact O-N 3.01Å; E561-T564 PolarHBondContact O-OG1 3.35Å; E561-M565 HydrophobicContact CB-CE 4.28Å
562L89.8Confident89.5Confident0 Ų057.2 Ų57.20%031%0.314CS..Hα-helixtrans-59.5-35.1179.4-64.5169.9000112.7F478 I513 F557 T558 I559 T564 M565 L570F478-L562 HydrophobicContact CD1-CD1 4.33Å; F478-L562 HydrophobicContact CE1-CD1 3.71Å; F478-L562 HydrophobicContact CZ-CD1 4.5Å; I513-L562 HydrophobicContact CD1-CB 3.55Å; I513-L562 HydrophobicContact CG1-CB 4.47Å; F557-L562 HydrophobicContact CD1-CD1 3.86Å; F557-L562 HydrophobicContact CD2-CD1 4.41Å; F557-L562 HydrophobicContact CD2-CD2 3.62Å; F557-L562 HydrophobicContact CE1-CD1 3.99Å; F557-L562 HydrophobicContact CE2-CD2 3.82Å; F557-L562 HydrophobicContact CG-CD1 4.08Å; F557-L562 HydrophobicContact CG-CD2 3.99Å; F557-L562 HydrophobicContact CG-CG 4.45Å; F557-L562 HydrophobicContact CZ-CD1 4.31Å; F557-L562 HydrophobicContact CZ-CD2 4.38Å; T558-L562 WeakPolarHBondContact O-CG 3.46Å; T558-L562 PolarHBondContact O-N 2.83Å; I559-L562 PolarHBondContact O-N 2.97Å; L562-T564 PolarHBondContact O-N 3.12Å; L562-M565 HydrophobicContact CD2-SD 4.04Å; L562-M565 PolarHBondContact O-N 2.88Å; L562-L570 HydrophobicContact CB-CD2 3.97Å; L562-L570 HydrophobicContact CD2-CD2 3.52Å; L562-L570 HydrophobicContact CG-CD2 4.35Å
563L86.5Confident89.7Confident61 Ų6157 Ų5732%0.31932%0.315SS..THydrogen-bonded Turntrans-62.2-20.8174-73.5173.2000113.6L396 I513 I559 E561L396-L563 HydrophobicContact CD1-CD2 3.55Å; L396-L563 HydrophobicContact CD2-CD1 4.44Å; L396-L563 HydrophobicContact CD2-CD2 3.91Å; L396-L563 HydrophobicContact CG-CD2 4.31Å; I513-L563 HydrophobicContact CD1-CD2 4.4Å; I513-L563 HydrophobicContact CG2-CD2 4.17Å; I559-L563 HydrophobicContact CG2-CD1 3.97Å; I559-L563 HydrophobicContact CG2-CG 4.23Å; I559-L563 WeakPolarHBondContact O-CB 3.35Å; I559-L563 WeakPolarHBondContact O-CG 3.21Å; I559-L563 PolarHBondContact O-N 2.88Å; E561-L563 VanDerWaalsContact C-N 3.27Å; E561-L563 PolarHBondContact O-N 2.92Å
564T87.2Confident89.9Confident117 Ų11749.8 Ų49.872%0.71828%0.284SS*.THydrogen-bonded Turntrans-98.3-1.9179.567.50000114E561 L562E561-T564 PolarHBondContact O-N 3.01Å; E561-T564 PolarHBondContact O-OG1 3.35Å; L562-T564 PolarHBondContact O-N 3.12Å
565M90.6Very high90Very high34 Ų3447.5 Ų47.517%0.16727%0.269CS..  trans-94.1141-175.5-70.3-175.9-170.700112.3S556 E561 L562 Q569 L570 A573S556-M565 VanDerWaalsContact O-CE 3.22Å; S556-M565 WeakPolarHBondContact O-CE 3.38Å; E561-M565 HydrophobicContact CB-CE 4.28Å; L562-M565 HydrophobicContact CD2-SD 4.04Å; L562-M565 PolarHBondContact O-N 2.88Å; M565-Q569 HydrophobicContact CB-CB 3.75Å; M565-Q569 HydrophobicContact CG-CB 3.9Å; M565-Q569 HydrophobicContact SD-CB 4.19Å; M565-L570 HydrophobicContact CB-CD2 3.83Å; M565-L570 HydrophobicContact CB-CG 3.65Å; M565-L570 HydrophobicContact SD-CD2 4.17Å; M565-A573 HydrophobicContact CE-CB 4.26Å; M565-A573 HydrophobicContact SD-CB 3.93Å
566N90.9Very high90.1Very high76 Ų7650.4 Ų50.441%0.40628%0.281SS..  trans-77.1175.216668.732.3000111.8V568 Q569 L570N566-V568 VanDerWaalsContact C-N 3.32Å; N566-V568 PolarHBondContact O-N 3.1Å; N566-V568 PolarHBondContact OD1-N 2.82Å; N566-Q569 PolarHBondContact ND2-OE1 3.43Å; N566-Q569 PolarHBondContact O-N 3.01Å; N566-Q569 WeakPolarHBondContact OD1-CG 3.45Å; N566-Q569 PolarHBondContact OD1-N 2.89Å; N566-Q569 PolarHBondContact OD1-OE1 3.05Å; N566-L570 WeakPolarHBondContact O-CB 3.23Å; N566-L570 WeakPolarHBondContact O-CG 3.5Å; N566-L570 PolarHBondContact O-N 3.44Å
567S91.3Very high90.4Very high21 Ų2148.3 Ų48.315%0.14727%0.266CS..Hα-helixtrans-57.1-41.3-176.957.10000113.5L570 C571 V608S567-L570 PolarHBondContact O-N 3.02Å; S567-C571 WeakPolarHBondContact O-CB 3.36Å; S567-C571 PolarHBondContact O-N 2.99Å; S567-V608 WeakPolarHBondContact O-CG1 3.3Å
568V92.2Very high90.7Very high88 Ų8848.3 Ų48.353%0.53327%0.266SS..Hα-helixtrans-64.8-46.6178.2-177.40000111N566 C571 E572N566-V568 VanDerWaalsContact C-N 3.32Å; N566-V568 PolarHBondContact O-N 3.1Å; N566-V568 PolarHBondContact OD1-N 2.82Å; V568-C571 WeakPolarHBondContact O-CB 3.16Å; V568-C571 PolarHBondContact O-N 3.36Å; V568-E572 PolarHBondContact O-N 3.32Å
569Q94.1Very high90.8Very high97 Ų9748.5 Ų48.545%0.45327%0.273SS..Hα-helixtrans-63.9-41.9178.3-71.8171.3-50.600112M565 N566 E572 A573M565-Q569 HydrophobicContact CB-CB 3.75Å; M565-Q569 HydrophobicContact CG-CB 3.9Å; M565-Q569 HydrophobicContact SD-CB 4.19Å; N566-Q569 PolarHBondContact ND2-OE1 3.43Å; N566-Q569 PolarHBondContact O-N 3.01Å; N566-Q569 WeakPolarHBondContact OD1-CG 3.45Å; N566-Q569 PolarHBondContact OD1-N 2.89Å; N566-Q569 PolarHBondContact OD1-OE1 3.05Å; Q569-E572 PolarHBondContact O-N 2.97Å; Q569-A573 VanDerWaalsContact O-CB 3.28Å; Q569-A573 WeakPolarHBondContact O-CB 3.37Å; Q569-A573 PolarHBondContact O-N 3.42Å
570L93.4Very high91.1Very high0 Ų046.3 Ų46.30%026%0.264CS..Hα-helixtrans-63.1-39.5174.7-75.5171.2000112.1A512 I513 L562 M565 N566 S567 T574 V608A512-L570 HydrophobicContact CB-CD1 3.76Å; I513-L570 HydrophobicContact CB-CD1 4.05Å; L562-L570 HydrophobicContact CB-CD2 3.97Å; L562-L570 HydrophobicContact CD2-CD2 3.52Å; L562-L570 HydrophobicContact CG-CD2 4.35Å; M565-L570 HydrophobicContact CB-CD2 3.83Å; M565-L570 HydrophobicContact CB-CG 3.65Å; M565-L570 HydrophobicContact SD-CD2 4.17Å; N566-L570 WeakPolarHBondContact O-CB 3.23Å; N566-L570 WeakPolarHBondContact O-CG 3.5Å; N566-L570 PolarHBondContact O-N 3.44Å; S567-L570 PolarHBondContact O-N 3.02Å; L570-T574 WeakPolarHBondContact O-CB 3.37Å; L570-T574 PolarHBondContact O-N 2.94Å; L570-T574 PolarHBondContact O-OG1 3.1Å; L570-V608 HydrophobicContact CB-CB 4.41Å; L570-V608 HydrophobicContact CB-CG1 3.51Å; L570-V608 HydrophobicContact CB-CG2 4.11Å; L570-V608 HydrophobicContact CD1-CG1 3.8Å; L570-V608 HydrophobicContact CD1-CG2 4Å; L570-V608 HydrophobicContact CG-CG1 4.3Å
571C94.5Very high91.4Very high7 Ų742.7 Ų42.75%0.04724%0.235CC..Hα-helixtrans-61.7-50.5174.1175.10000111.6S567 V568 T574 K575 C612S567-C571 WeakPolarHBondContact O-CB 3.36Å; S567-C571 PolarHBondContact O-N 2.99Å; V568-C571 WeakPolarHBondContact O-CB 3.16Å; V568-C571 PolarHBondContact O-N 3.36Å; C571-T574 PolarHBondContact O-N 3.2Å; C571-K575 PolarHBondContact O-N 3.07Å; C571-C612 VanDerWaalsContact CA-SG 3.52Å; C571-C612 HydrophobicContact CB-CB 3.87Å; C571-C612 WeakPolarHBondContact CB-SG 3.39Å; C571-C612 WeakPolarHBondContact SG-CA 3.02Å; C571-C612 WeakPolarHBondContact SG-CB 3.04Å; C571-C612 CovalentContact SG-SG 2.03Å; C571-C612 PolarHBondContact SG-SG 3.23Å
572E93.3Very high91.5Very high86 Ų8640.2 Ų40.240%0.40222%0.223SC..Hα-helixtrans-64.3-44.1177.9-65.3-51133.100112.5V568 Q569 T574 K575 E576V568-E572 PolarHBondContact O-N 3.32Å; Q569-E572 PolarHBondContact O-N 2.97Å; E572-T574 PolarHBondContact O-N 3.2Å; E572-K575 WeakPolarHBondContact O-CB 3.23Å; E572-K575 PolarHBondContact O-N 3.32Å; E572-K575 VanDerWaalsContact O-N 3.1Å; E572-K575 IonicContact OE1-NZ 3.01Å; E572-K575 PolarHBondContact OE1-NZ 3.4Å; E572-K575 WeakPolarHBondContact OE2-CD 3.34Å; E572-K575 IonicContact OE2-NZ 3.33Å; E572-K575 PolarHBondContact OE2-NZ 3.17Å; E572-E576 PolarHBondContact O-N 2.85Å
573A93.7Very high91.2Very high10 Ų1042.4 Ų42.48%0.08323%0.231CC..Hα-helixtrans-59.8-35.617600000111.6F557 M565 Q569 I577F557-A573 HydrophobicContact CD2-CB 3.97Å; F557-A573 HydrophobicContact CE2-CB 4.45Å; M565-A573 HydrophobicContact CE-CB 4.26Å; M565-A573 HydrophobicContact SD-CB 3.93Å; Q569-A573 VanDerWaalsContact O-CB 3.28Å; Q569-A573 WeakPolarHBondContact O-CB 3.37Å; Q569-A573 PolarHBondContact O-N 3.42Å; A573-I577 WeakPolarHBondContact O-CB 3.34Å; A573-I577 VanDerWaalsContact O-CG1 3.24Å; A573-I577 WeakPolarHBondContact O-CG1 3.13Å; A573-I577 PolarHBondContact O-N 3.09Å; A573-I577 VanDerWaalsContact O-N 3.07Å
574T93.8Very high91.2Very high0 Ų041.9 Ų41.90%023%0.225CC..Hα-helixtrans-68.4-41.1175.1-53.70000111.9L570 C571 E572 I577 I578 L601 F604 A605 I614L570-T574 WeakPolarHBondContact O-CB 3.37Å; L570-T574 PolarHBondContact O-N 2.94Å; L570-T574 PolarHBondContact O-OG1 3.1Å; C571-T574 PolarHBondContact O-N 3.2Å; E572-T574 PolarHBondContact O-N 3.2Å; T574-I577 PolarHBondContact O-N 2.97Å; T574-I578 HydrophobicContact CG2-CD1 4.05Å; T574-I578 HydrophobicContact CG2-CG1 4.43Å; T574-I578 VanDerWaalsContact O-CG1 3.25Å; T574-I578 WeakPolarHBondContact O-CG1 3.33Å; T574-I578 PolarHBondContact O-N 2.94Å; T574-L601 HydrophobicContact CG2-CB 4.08Å; T574-L601 HydrophobicContact CG2-CD2 4.47Å; T574-L601 WeakPolarHBondContact CG2-O 3.31Å; T574-F604 HydrophobicContact CG2-CD1 4.34Å; T574-F604 WeakPolarHBondContact OG1-CD1 3.36Å; T574-A605 HydrophobicContact CG2-CB 3.98Å; T574-I614 HydrophobicContact CG2-CD1 4.02Å
575K92.9Very high91.3Very high54 Ų5436.3 Ų36.324%0.23519%0.191CC..Hα-helixtrans-58.9-49.4174.5-69.8171.9-171.2167.90111.9C571 E572 I577 I578 A579 I614C571-K575 PolarHBondContact O-N 3.07Å; E572-K575 WeakPolarHBondContact O-CB 3.23Å; E572-K575 PolarHBondContact O-N 3.32Å; E572-K575 VanDerWaalsContact O-N 3.1Å; E572-K575 IonicContact OE1-NZ 3.01Å; E572-K575 PolarHBondContact OE1-NZ 3.4Å; E572-K575 WeakPolarHBondContact OE2-CD 3.34Å; E572-K575 IonicContact OE2-NZ 3.33Å; E572-K575 PolarHBondContact OE2-NZ 3.17Å; K575-I577 VanDerWaalsContact C-N 3.34Å; K575-I577 PolarHBondContact O-N 3.41Å; K575-I578 PolarHBondContact O-N 3Å; K575-A579 WeakPolarHBondContact O-CB 3.02Å; K575-A579 PolarHBondContact O-N 2.8Å; K575-I614 HydrophobicContact CG-CD1 3.6Å; K575-I614 HydrophobicContact CG-CG1 3.75Å
576E92Very high91.2Very high100 Ų10036.8 Ų36.847%0.46719%0.193SC..Hα-helixtrans-63.6-40.1-178.6-70.7-60.9161.500111.8N555 E572 A579 C580N555-E576 HydrophobicContact CB-CB 4.11Å; E572-E576 PolarHBondContact O-N 2.85Å; E576-A579 PolarHBondContact O-N 2.95Å; E576-C580 WeakPolarHBondContact O-CB 3.22Å; E576-C580 PolarHBondContact O-N 3.33Å
577I93.1Very high90.5Very high0 Ų036 Ų360%018%0.184CC..Hα-helixtrans-63.2-47.9173.5-72.1-67.3000111.8P480 I552 N555 F557 A573 T574 K575 A579 C580 T581 L601P480-I577 HydrophobicContact CB-CG2 3.66Å; P480-I577 HydrophobicContact CG-CG2 4.25Å; I552-I577 HydrophobicContact CB-CD1 4.43Å; I552-I577 HydrophobicContact CG1-CD1 4.21Å; N555-I577 HydrophobicContact CB-CD1 3.83Å; N555-I577 HydrophobicContact CB-CG1 4.16Å; F557-I577 HydrophobicContact CB-CD1 3.54Å; F557-I577 HydrophobicContact CB-CG1 3.46Å; F557-I577 VanDerWaalsContact CB-CG1 3.46Å; F557-I577 HydrophobicContact CD1-CG1 4.28Å; F557-I577 HydrophobicContact CD2-CB 4.36Å; F557-I577 HydrophobicContact CD2-CG1 3.59Å; F557-I577 HydrophobicContact CE2-CG1 4.38Å; F557-I577 HydrophobicContact CG-CD1 4.12Å; F557-I577 HydrophobicContact CG-CG1 3.55Å; A573-I577 WeakPolarHBondContact O-CB 3.34Å; A573-I577 VanDerWaalsContact O-CG1 3.24Å; A573-I577 WeakPolarHBondContact O-CG1 3.13Å; A573-I577 PolarHBondContact O-N 3.09Å; A573-I577 VanDerWaalsContact O-N 3.07Å; T574-I577 PolarHBondContact O-N 2.97Å; K575-I577 VanDerWaalsContact C-N 3.34Å; K575-I577 PolarHBondContact O-N 3.41Å; I577-A579 VanDerWaalsContact C-N 3.33Å; I577-A579 PolarHBondContact O-N 2.95Å; I577-C580 PolarHBondContact O-N 3.44Å; I577-C580 VanDerWaalsContact O-N 3.17Å; I577-T581 HydrophobicContact CG2-CG2 4.1Å; I577-T581 WeakPolarHBondContact O-CB 3.32Å; I577-T581 WeakPolarHBondContact O-CG2 3.48Å; I577-T581 PolarHBondContact O-N 3.28Å; I577-T581 PolarHBondContact O-OG1 3.33Å; I577-L601 HydrophobicContact CG2-CD1 3.93Å; I577-L601 HydrophobicContact CG2-CD2 4.43Å
578I93Very high90.3Very high3 Ų340.5 Ų40.52%0.01520%0.201CC..Hα-helixtrans-56.5-49.5176.3-67.9169.9000109.8T574 K575 C580 N582 F598 L601 I614 P618T574-I578 HydrophobicContact CG2-CD1 4.05Å; T574-I578 HydrophobicContact CG2-CG1 4.43Å; T574-I578 VanDerWaalsContact O-CG1 3.25Å; T574-I578 WeakPolarHBondContact O-CG1 3.33Å; T574-I578 PolarHBondContact O-N 2.94Å; K575-I578 PolarHBondContact O-N 3Å; I578-C580 VanDerWaalsContact C-N 3.26Å; I578-C580 PolarHBondContact O-N 2.87Å; I578-N582 HydrophobicContact CG2-CB 4.34Å; I578-N582 WeakPolarHBondContact O-CB 3.47Å; I578-N582 PolarHBondContact O-N 3.29Å; I578-F598 HydrophobicContact CD1-CD2 4.17Å; I578-F598 HydrophobicContact CD1-CE2 4.25Å; I578-F598 HydrophobicContact CG2-CD2 3.8Å; I578-F598 HydrophobicContact CG2-CE2 4.34Å; I578-L601 HydrophobicContact CD1-CB 3.7Å; I578-L601 HydrophobicContact CG1-CB 3.56Å; I578-L601 HydrophobicContact CG1-CD1 3.55Å; I578-L601 HydrophobicContact CG1-CG 4.19Å; I578-I614 HydrophobicContact CD1-CD1 3.99Å; I578-I614 HydrophobicContact CD1-CG2 3.63Å; I578-P618 HydrophobicContact CG2-CG 3.66Å
579A88.2Confident90.2Very high57 Ų5737.6 Ų37.647%0.47118%0.184SC..Hα-helixtrans-58.4-38179.200000112.8K575 E576 I577K575-A579 WeakPolarHBondContact O-CB 3.02Å; K575-A579 PolarHBondContact O-N 2.8Å; E576-A579 PolarHBondContact O-N 2.95Å; I577-A579 VanDerWaalsContact C-N 3.33Å; I577-A579 PolarHBondContact O-N 2.95Å
580C88.9Confident89.9Confident30 Ų3034.4 Ų34.420%0.20318%0.178CC..Hα-helixtrans-87.6-28.1-174.11770000114.1C551 E576 I577 I578 R584C551-C580 VanDerWaalsContact CA-SG 3.55Å; C551-C580 HydrophobicContact CB-CB 4.42Å; C551-C580 WeakPolarHBondContact CB-SG 3.48Å; C551-C580 WeakPolarHBondContact SG-CB 3.38Å; C551-C580 CovalentContact SG-SG 2.02Å; C551-C580 PolarHBondContact SG-SG 3.34Å; E576-C580 WeakPolarHBondContact O-CB 3.22Å; E576-C580 PolarHBondContact O-N 3.33Å; I577-C580 PolarHBondContact O-N 3.44Å; I577-C580 VanDerWaalsContact O-N 3.17Å; I578-C580 VanDerWaalsContact C-N 3.26Å; I578-C580 PolarHBondContact O-N 2.87Å; C580-R584 PolarHBondContact O-NH1 3.42Å; C580-R584 PolarHBondContact SG-NH1 3.49Å
581T91.5Very high89.6Confident0 Ų038.3 Ų38.30%020%0.201CC..Hα-helixtrans-97.3-39.8178.666.20000113.9V481 I548 I577 R583 R584 V585 Q597V481-T581 HydrophobicContact CG2-CG2 4.1Å; I548-T581 HydrophobicContact CD1-CG2 3.84Å; I577-T581 HydrophobicContact CG2-CG2 4.1Å; I577-T581 WeakPolarHBondContact O-CB 3.32Å; I577-T581 WeakPolarHBondContact O-CG2 3.48Å; I577-T581 PolarHBondContact O-N 3.28Å; I577-T581 PolarHBondContact O-OG1 3.33Å; T581-R583 PolarHBondContact O-N 2.9Å; T581-R584 WeakPolarHBondContact O-CA 3.5Å; T581-R584 WeakPolarHBondContact O-CB 3.44Å; T581-R584 PolarHBondContact O-N 3.02Å; T581-V585 PolarHBondContact O-N 3.21Å; T581-Q597 PolarHBondContact OG1-NE2 2.88Å; T581-Q597 PolarHBondContact OG1-OE1 2.94Å; T581-Q597 VanDerWaalsContact OG1-OE1 3.12Å
582N90Very high89.4Confident3 Ų342.4 Ų42.42%0.01623%0.226CC..Hα-helixtrans-55.4-51.3-164.5178.2-88.9000112I578 R584 V585 E586 A594 R617I578-N582 HydrophobicContact CG2-CB 4.34Å; I578-N582 WeakPolarHBondContact O-CB 3.47Å; I578-N582 PolarHBondContact O-N 3.29Å; N582-R584 VanDerWaalsContact C-N 3.26Å; N582-R584 PolarHBondContact O-N 3Å; N582-V585 PolarHBondContact O-N 2.93Å; N582-V585 VanDerWaalsContact O-N 3.15Å; N582-E586 WeakPolarHBondContact O-CB 3.29Å; N582-E586 PolarHBondContact O-N 2.9Å; N582-A594 PolarHBondContact ND2-O 3.1Å; N582-R617 WeakPolarHBondContact OD1-CD 3.49Å; N582-R617 WeakPolarHBondContact OD1-CG 3.47Å
583R83.6Confident89.4Confident47 Ų4738.4 Ų38.418%0.17721%0.207CC..Hα-helixtrans-61.6-31.1177.4-169.9175.4-177.5-140.62.7113.2T581 R587 L624 F627T581-R583 PolarHBondContact O-N 2.9Å; R583-R587 VanDerWaalsContact O-CG 3.24Å; R583-R587 WeakPolarHBondContact O-CG 3.36Å; R583-R587 PolarHBondContact O-N 2.97Å; R583-R587 VanDerWaalsContact O-N 3.08Å; R583-L624 VanDerWaalsContact CZ-CD1 3.41Å; R583-F627 VanDerWaalsContact NH2-CE1 3.34Å
584R86.7Confident89.3Confident49 Ų4937.9 Ų37.919%0.18520%0.204CC..Hα-helixtrans-74.4-38.3177.6-65.7-176.1168.6111.1-5.6110.9M542 I548 C580 T581 N582 K588 E636M542-R584 VanDerWaalsContact CE-C 3.41Å; M542-R584 HydrophobicContact CE-CB 3.72Å; M542-R584 VanDerWaalsContact CE-O 3.29Å; M542-R584 WeakPolarHBondContact CE-O 3.39Å; I548-R584 HydrophobicContact CD1-CB 4.05Å; C580-R584 PolarHBondContact O-NH1 3.42Å; C580-R584 PolarHBondContact SG-NH1 3.49Å; T581-R584 WeakPolarHBondContact O-CA 3.5Å; T581-R584 WeakPolarHBondContact O-CB 3.44Å; T581-R584 PolarHBondContact O-N 3.02Å; N582-R584 VanDerWaalsContact C-N 3.26Å; N582-R584 PolarHBondContact O-N 3Å; R584-K588 PolarHBondContact O-N 3.49Å; R584-E636 IonicContact NH2-OE2 2.73Å; R584-E636 PolarHBondContact NH2-OE2 2.92Å
585V90.4Very high89.2Confident0 Ų041 Ų410%022%0.22CC..Hα-helixtrans-65.2-45.1172.6171.40000110.3V481 L539 M542 T581 N582 R587 K588 C589 A594 Q597V481-V585 HydrophobicContact CG1-CG2 3.9Å; L539-V585 HydrophobicContact CD2-CG1 3.53Å; L539-V585 HydrophobicContact CD2-CG2 4.26Å; M542-V585 HydrophobicContact CE-CG2 4.15Å; T581-V585 PolarHBondContact O-N 3.21Å; N582-V585 PolarHBondContact O-N 2.93Å; N582-V585 VanDerWaalsContact O-N 3.15Å; V585-R587 PolarHBondContact O-N 3.02Å; V585-K588 PolarHBondContact O-N 3.06Å; V585-C589 HydrophobicContact CG1-CB 4.31Å; V585-C589 WeakPolarHBondContact O-CA 3.41Å; V585-C589 WeakPolarHBondContact O-CB 3.49Å; V585-C589 PolarHBondContact O-N 3.01Å; V585-A594 HydrophobicContact CG1-CB 4.23Å; V585-Q597 HydrophobicContact CG1-CB 4.47Å
586E88.1Confident89.2Confident44 Ų4438.6 Ų38.621%0.20621%0.21CC..Hα-helixtrans-57.5-47.3176.5-178.4166.9-126.600112.4N582 K588 G590 V591 A594 R617N582-E586 WeakPolarHBondContact O-CB 3.29Å; N582-E586 PolarHBondContact O-N 2.9Å; E586-K588 PolarHBondContact O-N 3.43Å; E586-G590 WeakPolarHBondContact O-CA 3.5Å; E586-G590 PolarHBondContact O-N 3.34Å; E586-V591 HydrophobicContact CG-CG2 4.43Å; E586-A594 HydrophobicContact CB-CB 3.67Å; E586-A594 HydrophobicContact CG-CB 4.42Å; E586-R617 IonicContact OE1-CZ 3.7Å; E586-R617 IonicContact OE1-NH1 3.78Å; E586-R617 PolarHBondContact OE1-NH1 3.43Å; E586-R617 IonicContact OE2-NH1 2.9Å
587R76.2Confident89.3Confident59 Ų5933.9 Ų33.922%0.22319%0.188CC..Hα-helixtrans-58.9-40.4177.6-74.2-176.1-150.3168.111.7113.6R583 V585 E636 H795R583-R587 VanDerWaalsContact O-CG 3.24Å; R583-R587 WeakPolarHBondContact O-CG 3.36Å; R583-R587 PolarHBondContact O-N 2.97Å; R583-R587 VanDerWaalsContact O-N 3.08Å; V585-R587 PolarHBondContact O-N 3.02Å; R587-E636 IonicContact NH1-OE1 3.81Å; R587-E636 PolarHBondContact NH1-OE1 3.35Å; R587-H795 WeakPolarHBondContact CA-NE2 3.22Å; R587-H795 WeakPolarHBondContact CB-NE2 3.47Å; R587-H795 WeakPolarHBondContact CG-NE2 3.38Å; R587-H795 PolarHBondContact O-CD2 3.27Å; R587-H795 PolarHBondContact O-NE2 3.18Å
588K87.1Confident89.4Confident117 Ų11734.5 Ų34.551%0.50919%0.19SC..Hα-helixtrans-96.8-32.1-171.9-158.7-167.2179.5-1620114S541 M542 R584 V585 E586S541-K588 PolarHBondContact O-NZ 2.9Å; S541-K588 PolarHBondContact OG-NZ 3.09Å; M542-K588 HydrophobicContact CG-CB 4.32Å; M542-K588 HydrophobicContact CG-CD 3.89Å; M542-K588 HydrophobicContact SD-CB 3.67Å; M542-K588 HydrophobicContact SD-CD 3.2Å; M542-K588 WeakPolarHBondContact SD-CD 3.17Å; M542-K588 HydrophobicContact SD-CG 4.06Å; R584-K588 PolarHBondContact O-N 3.49Å; V585-K588 PolarHBondContact O-N 3.06Å; E586-K588 PolarHBondContact O-N 3.43Å
589C90Very high89.4Confident27 Ų2736 Ų3618%0.18220%0.198CC..Hα-helixtrans-115.1-12.1-173.3-55.70000113.4C538 V585 S593C538-C589 HydrophobicContact CB-CB 3.73Å; C538-C589 WeakPolarHBondContact CB-SG 3.43Å; C538-C589 PolarHBondContact O-SG 3.36Å; C538-C589 WeakPolarHBondContact SG-CA 3.28Å; C538-C589 WeakPolarHBondContact SG-CB 3.4Å; C538-C589 CovalentContact SG-SG 2.03Å; C538-C589 PolarHBondContact SG-SG 3.43Å; V585-C589 HydrophobicContact CG1-CB 4.31Å; V585-C589 WeakPolarHBondContact O-CA 3.41Å; V585-C589 WeakPolarHBondContact O-CB 3.49Å; V585-C589 PolarHBondContact O-N 3.01Å; C589-S593 WeakPolarHBondContact CB-OG 3.23Å; C589-S593 PolarHBondContact O-OG 3.46Å
590G87.1Confident89.7Confident30 Ų3033.4 Ų33.431%0.30918%0.176SC..  trans94170.2179.300000113.8E586 T592 S593 A594E586-G590 WeakPolarHBondContact O-CA 3.5Å; E586-G590 PolarHBondContact O-N 3.34Å; G590-T592 VanDerWaalsContact C-N 3.35Å; G590-T592 PolarHBondContact O-N 3.49Å; G590-S593 PolarHBondContact O-N 2.89Å; G590-A594 PolarHBondContact O-N 2.98Å
591V88Confident89.9Confident81 Ų8132 Ų3249%0.49117%0.167SC..Hα-helixtrans-57.6-45.6-174-174.20000111.2E586 S593 A594 D595 R617E586-V591 HydrophobicContact CG-CG2 4.43Å; V591-S593 PolarHBondContact O-N 3.39Å; V591-A594 CarbonylContact O-C 3.55Å; V591-A594 WeakPolarHBondContact O-CA 3.47Å; V591-A594 WeakPolarHBondContact O-CB 3.39Å; V591-A594 PolarHBondContact O-N 3.42Å; V591-D595 PolarHBondContact O-N 2.87Å; V591-R617 PolarHBondContact O-NH2 3.09Å
592T89.8Confident90.1Very high93 Ų9332.3 Ų32.357%0.57117%0.168SC*.Hα-helixtrans-60.2-41.4-179.3-460000113.2G590 A594 D595 F596G590-T592 VanDerWaalsContact C-N 3.35Å; G590-T592 PolarHBondContact O-N 3.49Å; T592-A594 VanDerWaalsContact C-N 3.3Å; T592-A594 PolarHBondContact O-N 3.5Å; T592-D595 PolarHBondContact O-N 2.73Å; T592-F596 WeakPolarHBondContact O-CB 3.45Å; T592-F596 PolarHBondContact O-N 3.34Å
593S92.6Very high90.2Very high2 Ų232.7 Ų32.71%0.01417%0.171CC..Hα-helixtrans-64.8-36.4174.6-63.10000112Q535 C589 G590 V591 Q597Q535-S593 PolarHBondContact OE1-OG 3.17Å; C589-S593 WeakPolarHBondContact CB-OG 3.23Å; C589-S593 PolarHBondContact O-OG 3.46Å; G590-S593 PolarHBondContact O-N 2.89Å; V591-S593 PolarHBondContact O-N 3.39Å; S593-Q597 WeakPolarHBondContact O-CB 3.18Å; S593-Q597 PolarHBondContact O-N 3.24Å
594A91.5Very high90.8Very high0 Ų030.5 Ų30.50%016%0.163CC..Hα-helixtrans-74-32.8177.900000112.8N582 V585 E586 G590 V591 T592 F598N582-A594 PolarHBondContact ND2-O 3.1Å; V585-A594 HydrophobicContact CG1-CB 4.23Å; E586-A594 HydrophobicContact CB-CB 3.67Å; E586-A594 HydrophobicContact CG-CB 4.42Å; G590-A594 PolarHBondContact O-N 2.98Å; V591-A594 CarbonylContact O-C 3.55Å; V591-A594 WeakPolarHBondContact O-CA 3.47Å; V591-A594 WeakPolarHBondContact O-CB 3.39Å; V591-A594 PolarHBondContact O-N 3.42Å; T592-A594 VanDerWaalsContact C-N 3.3Å; T592-A594 PolarHBondContact O-N 3.5Å; A594-F598 VanDerWaalsContact O-CB 3.25Å; A594-F598 WeakPolarHBondContact O-CB 3.22Å; A594-F598 PolarHBondContact O-N 2.85Å
595D92.1Very high91.1Very high65 Ų6528.1 Ų28.135%0.34815%0.154SC..Hα-helixtrans-64.8-48.8170.2-77.5-41.6000110.4V591 T592 Q597 F598 L599 R617V591-D595 PolarHBondContact O-N 2.87Å; T592-D595 PolarHBondContact O-N 2.73Å; D595-Q597 VanDerWaalsContact C-N 3.33Å; D595-Q597 PolarHBondContact O-N 3.16Å; D595-F598 WeakPolarHBondContact O-CB 3.48Å; D595-F598 PolarHBondContact O-N 3.16Å; D595-F598 VanDerWaalsContact O-N 3.15Å; D595-L599 WeakPolarHBondContact O-CB 3.46Å; D595-L599 VanDerWaalsContact O-CG 3.29Å; D595-L599 WeakPolarHBondContact O-CG 3.1Å; D595-L599 PolarHBondContact O-N 3.38Å; D595-R617 VanDerWaalsContact N-NH2 3.16Å; D595-R617 IonicContact OD1-CZ 2.6Å; D595-R617 IonicContact OD1-NE 3.51Å; D595-R617 PolarHBondContact OD1-NE 2.81Å; D595-R617 IonicContact OD1-NH2 2.77Å; D595-R617 PolarHBondContact OD1-NH2 3.41Å; D595-R617 IonicContact OD2-NH2 2.63Å; D595-R617 PolarHBondContact OD2-NH2 3.25Å
596F93.6Very high91.3Very high4 Ų430.1 Ų30.12%0.01816%0.163CC..Hα-helixtrans-58.4-46.4177.4-175.2-113.8000111.3V524 R528 D531 F532 Q535 L539 T592 F598 L599 I600V524-F596 HydrophobicContact CG2-CZ 4.17Å; R528-F596 HydrophobicContact CB-CE2 4.05Å; D531-F596 HydrophobicContact CB-CD2 4.05Å; D531-F596 HydrophobicContact CB-CE2 3.88Å; D531-F596 HydrophobicContact CB-CZ 4.47Å; F532-F596 VanDerWaalsContact CA-CZ 3.43Å; F532-F596 HydrophobicContact CB-CE1 4.08Å; F532-F596 HydrophobicContact CB-CZ 3.68Å; F532-F596 AromaticContact CD2-CE1 3.86Å; F532-F596 HydrophobicContact CD2-CE1 3.86Å; F532-F596 HydrophobicContact CD2-CZ 4.01Å; F532-F596 HydrophobicContact CG-CE1 4.41Å; F532-F596 HydrophobicContact CG-CZ 4.36Å; Q535-F596 HydrophobicContact CB-CD1 3.95Å; Q535-F596 HydrophobicContact CB-CE1 4.45Å; Q535-F596 HydrophobicContact CG-CB 4.26Å; Q535-F596 HydrophobicContact CG-CD1 3.92Å; Q535-F596 HydrophobicContact CG-CG 4.18Å; L539-F596 HydrophobicContact CD1-CD1 3.96Å; L539-F596 HydrophobicContact CD1-CE1 4.31Å; T592-F596 WeakPolarHBondContact O-CB 3.45Å; T592-F596 PolarHBondContact O-N 3.34Å; F596-F598 PolarHBondContact O-N 3.31Å; F596-L599 PolarHBondContact O-N 2.86Å; F596-I600 HydrophobicContact CD1-CD1 3.65Å; F596-I600 HydrophobicContact CD2-CD1 4.43Å; F596-I600 HydrophobicContact CE1-CD1 3.35Å; F596-I600 HydrophobicContact CE1-CG1 4.42Å; F596-I600 HydrophobicContact CE2-CD1 4.15Å; F596-I600 HydrophobicContact CE2-CG1 4.43Å; F596-I600 HydrophobicContact CG-CD1 4.18Å; F596-I600 HydrophobicContact CZ-CD1 3.6Å; F596-I600 HydrophobicContact CZ-CG1 4.25Å; F596-I600 WeakPolarHBondContact O-CD1 3.28Å; F596-I600 WeakPolarHBondContact O-CG1 3.42Å; F596-I600 PolarHBondContact O-N 3.13Å
597Q93.7Very high91.4Very high1 Ų128.9 Ų28.91%0.00516%0.161CC..Hα-helixtrans-62.4-39.8175.3-158.4-136.8-13.700112.7P480 T581 V585 S593 D595 L601P480-Q597 PolarHBondContact O-NE2 3.42Å; T581-Q597 PolarHBondContact OG1-NE2 2.88Å; T581-Q597 PolarHBondContact OG1-OE1 2.94Å; T581-Q597 VanDerWaalsContact OG1-OE1 3.12Å; V585-Q597 HydrophobicContact CG1-CB 4.47Å; S593-Q597 WeakPolarHBondContact O-CB 3.18Å; S593-Q597 PolarHBondContact O-N 3.24Å; D595-Q597 VanDerWaalsContact C-N 3.33Å; D595-Q597 PolarHBondContact O-N 3.16Å; Q597-L601 HydrophobicContact CG-CD1 4.48Å; Q597-L601 PolarHBondContact O-N 2.92Å; Q597-L601 VanDerWaalsContact O-N 3.17Å
598F94.9Very high92.1Very high12 Ų1226.8 Ų26.85%0.05316%0.155CC..Hα-helixtrans-62.4-48.2175.9169.3-103.9000111.5I578 A594 D595 F596 I600 L601 Q602 I614 K616 R617I578-F598 HydrophobicContact CD1-CD2 4.17Å; I578-F598 HydrophobicContact CD1-CE2 4.25Å; I578-F598 HydrophobicContact CG2-CD2 3.8Å; I578-F598 HydrophobicContact CG2-CE2 4.34Å; A594-F598 VanDerWaalsContact O-CB 3.25Å; A594-F598 WeakPolarHBondContact O-CB 3.22Å; A594-F598 PolarHBondContact O-N 2.85Å; D595-F598 WeakPolarHBondContact O-CB 3.48Å; D595-F598 PolarHBondContact O-N 3.16Å; D595-F598 VanDerWaalsContact O-N 3.15Å; F596-F598 PolarHBondContact O-N 3.31Å; F598-I600 VanDerWaalsContact C-N 3.33Å; F598-I600 PolarHBondContact O-N 2.76Å; F598-L601 PolarHBondContact O-N 2.86Å; F598-Q602 HydrophobicContact CE1-CB 4.41Å; F598-Q602 HydrophobicContact CE2-CB 4.49Å; F598-Q602 HydrophobicContact CZ-CB 4.2Å; F598-Q602 HydrophobicContact CZ-CG 4.27Å; F598-Q602 VanDerWaalsContact O-CB 3.3Å; F598-Q602 WeakPolarHBondContact O-CB 2.95Å; F598-Q602 PolarHBondContact O-N 2.88Å; F598-I614 HydrophobicContact CE2-CG2 3.63Å; F598-I614 HydrophobicContact CZ-CG2 4.08Å; F598-K616 VanDerWaalsContact CE2-C 3.42Å; F598-K616 VanDerWaalsContact CE2-O 3.29Å; F598-K616 WeakPolarHBondContact CE2-O 3.41Å; F598-K616 WeakPolarHBondContact CZ-O 3.34Å; F598-R617 HydrophobicContact CB-CG 4.41Å; F598-R617 HydrophobicContact CD1-CB 4.16Å; F598-R617 HydrophobicContact CD2-CB 4.08Å; F598-R617 HydrophobicContact CD2-CG 4.39Å; F598-R617 HydrophobicContact CE1-CB 4.45Å; F598-R617 VanDerWaalsContact CE2-CA 3.47Å; F598-R617 HydrophobicContact CE2-CB 4.37Å; F598-R617 VanDerWaalsContact CE2-N 3.35Å; F598-R617 HydrophobicContact CG-CB 3.98Å; F598-R617 HydrophobicContact CG-CG 4.28Å
599L93.8Very high92.3Very high35 Ų3523.2 Ų23.218%0.18314%0.142CC..Hα-helixtrans-65.4-34.7-178.9-67.8165.7000112.4Y523 D595 F596 S603Y523-L599 HydrophobicContact CE1-CB 3.99Å; Y523-L599 WeakPolarHBondContact OH-CD1 3.12Å; D595-L599 WeakPolarHBondContact O-CB 3.46Å; D595-L599 VanDerWaalsContact O-CG 3.29Å; D595-L599 WeakPolarHBondContact O-CG 3.1Å; D595-L599 PolarHBondContact O-N 3.38Å; F596-L599 PolarHBondContact O-N 2.86Å; L599-S603 VanDerWaalsContact O-CB 3.27Å; L599-S603 WeakPolarHBondContact O-CB 3.33Å; L599-S603 PolarHBondContact O-N 3.4Å; L599-S603 PolarHBondContact O-OG 3.3Å
600I93.4Very high92.2Very high2 Ų228 Ų281%0.0117%0.165CC..Hα-helixtrans-59.3-52.7170.7-71.6162.7000110.7I483 M520 V524 F596 F598 S603 F604I483-I600 HydrophobicContact CD1-CD1 3.66Å; I483-I600 HydrophobicContact CD1-CG1 3.97Å; I483-I600 HydrophobicContact CD1-CG2 3.94Å; I483-I600 HydrophobicContact CG1-CD1 4.1Å; I483-I600 HydrophobicContact CG1-CG2 3.82Å; M520-I600 HydrophobicContact CG-CG2 3.49Å; M520-I600 VanDerWaalsContact CG-CG2 3.49Å; M520-I600 HydrophobicContact SD-CG2 3.64Å; V524-I600 HydrophobicContact CG2-CD1 4.34Å; V524-I600 HydrophobicContact CG2-CG1 3.95Å; F596-I600 HydrophobicContact CD1-CD1 3.65Å; F596-I600 HydrophobicContact CD2-CD1 4.43Å; F596-I600 HydrophobicContact CE1-CD1 3.35Å; F596-I600 HydrophobicContact CE1-CG1 4.42Å; F596-I600 HydrophobicContact CE2-CD1 4.15Å; F596-I600 HydrophobicContact CE2-CG1 4.43Å; F596-I600 HydrophobicContact CG-CD1 4.18Å; F596-I600 HydrophobicContact CZ-CD1 3.6Å; F596-I600 HydrophobicContact CZ-CG1 4.25Å; F596-I600 WeakPolarHBondContact O-CD1 3.28Å; F596-I600 WeakPolarHBondContact O-CG1 3.42Å; F596-I600 PolarHBondContact O-N 3.13Å; F598-I600 VanDerWaalsContact C-N 3.33Å; F598-I600 PolarHBondContact O-N 2.76Å; I600-S603 WeakPolarHBondContact O-CB 3.47Å; I600-S603 PolarHBondContact O-N 3.06Å; I600-F604 PolarHBondContact O-N 3.39Å
601L94.3Very high92.4Very high0 Ų030.7 Ų30.70%018%0.179CC..Hα-helixtrans-71.6-33.1-177.9-70.3170.9000112.3P480 F557 T574 I577 I578 Q597 F598 F604 A605P480-L601 HydrophobicContact CB-CD2 3.86Å; P480-L601 WeakPolarHBondContact O-CD1 3.37Å; F557-L601 HydrophobicContact CE1-CD2 4.42Å; F557-L601 HydrophobicContact CZ-CD2 4.28Å; T574-L601 HydrophobicContact CG2-CB 4.08Å; T574-L601 HydrophobicContact CG2-CD2 4.47Å; T574-L601 WeakPolarHBondContact CG2-O 3.31Å; I577-L601 HydrophobicContact CG2-CD1 3.93Å; I577-L601 HydrophobicContact CG2-CD2 4.43Å; I578-L601 HydrophobicContact CD1-CB 3.7Å; I578-L601 HydrophobicContact CG1-CB 3.56Å; I578-L601 HydrophobicContact CG1-CD1 3.55Å; I578-L601 HydrophobicContact CG1-CG 4.19Å; Q597-L601 HydrophobicContact CG-CD1 4.48Å; Q597-L601 PolarHBondContact O-N 2.92Å; Q597-L601 VanDerWaalsContact O-N 3.17Å; F598-L601 PolarHBondContact O-N 2.86Å; L601-F604 WeakPolarHBondContact O-CB 3.1Å; L601-F604 PolarHBondContact O-N 2.98Å; L601-A605 WeakPolarHBondContact O-CB 3.26Å; L601-A605 PolarHBondContact O-N 3.45Å
602Q95Very high92.5Very high7 Ų727.1 Ų27.13%0.03316%0.158CC..Hα-helixtrans-64.2-41.1170.6-169.2-164.567.600111.1F598 F604 A605 K606 I614F598-Q602 HydrophobicContact CE1-CB 4.41Å; F598-Q602 HydrophobicContact CE2-CB 4.49Å; F598-Q602 HydrophobicContact CZ-CB 4.2Å; F598-Q602 HydrophobicContact CZ-CG 4.27Å; F598-Q602 VanDerWaalsContact O-CB 3.3Å; F598-Q602 WeakPolarHBondContact O-CB 2.95Å; F598-Q602 PolarHBondContact O-N 2.88Å; Q602-F604 VanDerWaalsContact C-N 3.34Å; Q602-A605 PolarHBondContact O-N 3.43Å; Q602-K606 HydrophobicContact CG-CD 4.12Å; Q602-K606 HydrophobicContact CG-CG 4.45Å; Q602-K606 WeakPolarHBondContact O-CB 3.22Å; Q602-K606 WeakPolarHBondContact O-CG 3.39Å; Q602-K606 PolarHBondContact O-N 2.93Å; Q602-I614 HydrophobicContact CG-CG2 4.35Å; Q602-I614 WeakPolarHBondContact CG-O 3.43Å; Q602-I614 PolarHBondContact NE2-O 3.37Å
603S93.3Very high92.3Very high12 Ų1226.1 Ų26.18%0.08415%0.153CC..Hα-helixtrans-63.5-40.8175.5-63.60000111.5N519 L599 I600 G607N519-S603 WeakPolarHBondContact CB-O 3.47Å; L599-S603 VanDerWaalsContact O-CB 3.27Å; L599-S603 WeakPolarHBondContact O-CB 3.33Å; L599-S603 PolarHBondContact O-N 3.4Å; L599-S603 PolarHBondContact O-OG 3.3Å; I600-S603 WeakPolarHBondContact O-CB 3.47Å; I600-S603 PolarHBondContact O-N 3.06Å; S603-G607 PolarHBondContact O-N 2.77Å
604F94.6Very high92.1Very high0 Ų026.6 Ų26.60%016%0.155CC..Hα-helixtrans-59.4-51.3171-178.9-88.4000111.4F478 I513 G516 I517 M520 F557 T574 I600 L601 Q602 K606 G607 V608F478-F604 AromaticContact CE2-CD2 3.93Å; F478-F604 HydrophobicContact CE2-CD2 3.93Å; F478-F604 AromaticContact CE2-CE2 3.83Å; F478-F604 HydrophobicContact CE2-CE2 3.83Å; F478-F604 AromaticContact CZ-CD2 3.96Å; F478-F604 HydrophobicContact CZ-CD2 3.96Å; F478-F604 AromaticContact CZ-CE2 3.66Å; F478-F604 HydrophobicContact CZ-CE2 3.66Å; F478-F604 HydrophobicContact CZ-CZ 4.22Å; I513-F604 HydrophobicContact CG1-CE2 4.24Å; I513-F604 HydrophobicContact CG1-CZ 4.03Å; G516-F604 WeakPolarHBondContact CA-O 3.19Å; G516-F604 WeakPolarHBondContact O-CD2 3.22Å; I517-F604 HydrophobicContact CG1-CE2 4.12Å; M520-F604 HydrophobicContact CB-CB 4.15Å; M520-F604 HydrophobicContact CG-CB 4.49Å; F557-F604 HydrophobicContact CE2-CE1 4.19Å; F557-F604 HydrophobicContact CZ-CD1 4.14Å; F557-F604 AromaticContact CZ-CE1 3.82Å; F557-F604 HydrophobicContact CZ-CE1 3.82Å; F557-F604 HydrophobicContact CZ-CZ 4.23Å; T574-F604 HydrophobicContact CG2-CD1 4.34Å; T574-F604 WeakPolarHBondContact OG1-CD1 3.36Å; I600-F604 PolarHBondContact O-N 3.39Å; L601-F604 WeakPolarHBondContact O-CB 3.1Å; L601-F604 PolarHBondContact O-N 2.98Å; Q602-F604 VanDerWaalsContact C-N 3.34Å; F604-K606 PolarHBondContact O-N 2.88Å; F604-G607 WeakPolarHBondContact O-CA 3.32Å; F604-G607 PolarHBondContact O-N 2.82Å; F604-V608 HydrophobicContact CD1-CG2 4.23Å; F604-V608 HydrophobicContact CE1-CG2 3.89Å; F604-V608 HydrophobicContact CZ-CG2 4.24Å; F604-V608 WeakPolarHBondContact O-CG2 3.44Å; F604-V608 PolarHBondContact O-N 3.13Å
605A94.6Very high91.7Very high0 Ų032.8 Ų32.80%018%0.184CC..Hα-helixtrans-58.6-50.1179.400000112.8T574 L601 Q602 G607 V608 D609 C612 I614T574-A605 HydrophobicContact CG2-CB 3.98Å; L601-A605 WeakPolarHBondContact O-CB 3.26Å; L601-A605 PolarHBondContact O-N 3.45Å; Q602-A605 PolarHBondContact O-N 3.43Å; A605-G607 PolarHBondContact O-N 2.99Å; A605-V608 WeakPolarHBondContact O-CB 3.47Å; A605-V608 PolarHBondContact O-N 2.9Å; A605-V608 VanDerWaalsContact O-N 3.08Å; A605-D609 PolarHBondContact O-N 3.38Å; A605-D609 VanDerWaalsContact O-O 3.11Å; A605-C612 HydrophobicContact CB-CB 4.36Å; A605-I614 HydrophobicContact CB-CD1 3.57Å; A605-I614 HydrophobicContact CB-CG1 4.29Å
606K92.8Very high91.3Very high42 Ų4236.7 Ų36.718%0.18320%0.198CC..Hα-helixtrans-60.8-24.6175.1-73.7173.5172.7170.80112.7Q602 F604 L610Q602-K606 HydrophobicContact CG-CD 4.12Å; Q602-K606 HydrophobicContact CG-CG 4.45Å; Q602-K606 WeakPolarHBondContact O-CB 3.22Å; Q602-K606 WeakPolarHBondContact O-CG 3.39Å; Q602-K606 PolarHBondContact O-N 2.93Å; F604-K606 PolarHBondContact O-N 2.88Å; K606-L610 WeakPolarHBondContact O-CD2 3.27Å
607G91.5Very high90.7Very high17 Ų1738.3 Ų38.318%0.17520%0.203CC..Hα-helixtrans-81.3-29.1174.900000114G515 G516 N519 S603 F604 A605G515-G607 CarbonylContact C-O 3.54Å; G515-G607 WeakPolarHBondContact CA-O 3.06Å; G515-G607 WeakPolarHBondContact O-CA 3.28Å; G516-G607 VanDerWaalsContact N-C 3.34Å; G516-G607 PolarHBondContact N-O 3.39Å; N519-G607 WeakPolarHBondContact ND2-CA 3.33Å; N519-G607 PolarHBondContact ND2-N 3.3Å; S603-G607 PolarHBondContact O-N 2.77Å; F604-G607 WeakPolarHBondContact O-CA 3.32Å; F604-G607 PolarHBondContact O-N 2.82Å; A605-G607 PolarHBondContact O-N 2.99Å
608V91.5Very high89.7Confident16 Ų1640.8 Ų40.810%0.09722%0.22CC..Hα-helixtrans-74.8-45.8172.81680000110.9S567 L570 F604 A605S567-V608 WeakPolarHBondContact O-CG1 3.3Å; L570-V608 HydrophobicContact CB-CB 4.41Å; L570-V608 HydrophobicContact CB-CG1 3.51Å; L570-V608 HydrophobicContact CB-CG2 4.11Å; L570-V608 HydrophobicContact CD1-CG1 3.8Å; L570-V608 HydrophobicContact CD1-CG2 4Å; L570-V608 HydrophobicContact CG-CG1 4.3Å; F604-V608 HydrophobicContact CD1-CG2 4.23Å; F604-V608 HydrophobicContact CE1-CG2 3.89Å; F604-V608 HydrophobicContact CZ-CG2 4.24Å; F604-V608 WeakPolarHBondContact O-CG2 3.44Å; F604-V608 PolarHBondContact O-N 3.13Å; A605-V608 WeakPolarHBondContact O-CB 3.47Å; A605-V608 PolarHBondContact O-N 2.9Å; A605-V608 VanDerWaalsContact O-N 3.08Å
609D90.4Very high88.1Confident42 Ų4247 Ų4723%0.22525%0.249CC..  trans-155.8118.6-177.3-167.6-33.1000109.4A605 S611 C612A605-D609 PolarHBondContact O-N 3.38Å; A605-D609 VanDerWaalsContact O-O 3.11Å; D609-S611 VanDerWaalsContact CG-OG 3.29Å; D609-S611 PolarHBondContact O-N 3.08Å; D609-S611 WeakPolarHBondContact OD1-CA 3.25Å; D609-S611 VanDerWaalsContact OD1-CB 3.31Å; D609-S611 WeakPolarHBondContact OD1-CB 3.43Å; D609-S611 PolarHBondContact OD1-N 3.03Å; D609-S611 PolarHBondContact OD1-OG 3.42Å; D609-S611 PolarHBondContact OD2-OG 2.78Å; D609-C612 HydrophobicContact CB-CB 4.25Å; D609-C612 WeakPolarHBondContact O-CB 3.45Å; D609-C612 PolarHBondContact O-N 2.87Å
610L87.8Confident86.1Confident127 Ų12747 Ų4767%0.66525%0.254SS*.THydrogen-bonded Turntrans-62.6-24.3178.4-69.1171.2000112.6K606 C612K606-L610 WeakPolarHBondContact O-CD2 3.27Å; L610-C612 VanDerWaalsContact C-N 3.33Å
611S90.3Very high84.1Confident87 Ų8754.4 Ų54.461%0.60829%0.286SS*.THydrogen-bonded Turntrans-83.3-5.6176.9770000113.8D609 P613D609-S611 VanDerWaalsContact CG-OG 3.29Å; D609-S611 PolarHBondContact O-N 3.08Å; D609-S611 WeakPolarHBondContact OD1-CA 3.25Å; D609-S611 VanDerWaalsContact OD1-CB 3.31Å; D609-S611 WeakPolarHBondContact OD1-CB 3.43Å; D609-S611 PolarHBondContact OD1-N 3.03Å; D609-S611 PolarHBondContact OD1-OG 3.42Å; D609-S611 PolarHBondContact OD2-OG 2.78Å; S611-P613 VanDerWaalsContact O-CD 3.26Å; S611-P613 WeakPolarHBondContact O-CD 3.16Å; S611-P613 VanDerWaalsContact O-N 3.14Å
612C90.7Very high81.9Confident6 Ų658.5 Ų58.54%0.04131%0.308CS..  trans-61.7114.9-177.8-174.80000111.1C571 A605 D609 L610 I614C571-C612 VanDerWaalsContact CA-SG 3.52Å; C571-C612 HydrophobicContact CB-CB 3.87Å; C571-C612 WeakPolarHBondContact CB-SG 3.39Å; C571-C612 WeakPolarHBondContact SG-CA 3.02Å; C571-C612 WeakPolarHBondContact SG-CB 3.04Å; C571-C612 CovalentContact SG-SG 2.03Å; C571-C612 PolarHBondContact SG-SG 3.23Å; A605-C612 HydrophobicContact CB-CB 4.36Å; D609-C612 HydrophobicContact CB-CB 4.25Å; D609-C612 WeakPolarHBondContact O-CB 3.45Å; D609-C612 PolarHBondContact O-N 2.87Å; L610-C612 VanDerWaalsContact C-N 3.33Å; C612-I614 VanDerWaalsContact C-N 3.25Å; C612-I614 PolarHBondContact O-N 3.46Å
613P86.8Confident79.9Confident72 Ų7262 Ų6247%0.46833%0.325SS..  trans-84.463-163.233.6-37000112.7S611 H615S611-P613 VanDerWaalsContact O-CD 3.26Å; S611-P613 WeakPolarHBondContact O-CD 3.16Å; S611-P613 VanDerWaalsContact O-N 3.14Å; P613-H615 WeakPolarHBondContact CA-NE2 3.31Å
614I88Confident78.3Confident11 Ų1162.9 Ų62.96%0.05633%0.328CS..  trans-106.867.1176.5-50.1-169.3000108.4T574 K575 I578 F598 Q602 A605 C612T574-I614 HydrophobicContact CG2-CD1 4.02Å; K575-I614 HydrophobicContact CG-CD1 3.6Å; K575-I614 HydrophobicContact CG-CG1 3.75Å; I578-I614 HydrophobicContact CD1-CD1 3.99Å; I578-I614 HydrophobicContact CD1-CG2 3.63Å; F598-I614 HydrophobicContact CE2-CG2 3.63Å; F598-I614 HydrophobicContact CZ-CG2 4.08Å; Q602-I614 HydrophobicContact CG-CG2 4.35Å; Q602-I614 WeakPolarHBondContact CG-O 3.43Å; Q602-I614 PolarHBondContact NE2-O 3.37Å; A605-I614 HydrophobicContact CB-CD1 3.57Å; A605-I614 HydrophobicContact CB-CG1 4.29Å; C612-I614 VanDerWaalsContact C-N 3.25Å; C612-I614 PolarHBondContact O-N 3.46Å
615H82.2Confident77.1Confident131 Ų13163 Ų6361%0.60633%0.329SS*.  trans-84.8-24.2-174.8-57-68.8000113.7P613P613-H615 WeakPolarHBondContact CA-NE2 3.31Å
616K83.7Confident76.3Confident147 Ų14763 Ų6364%0.63933%0.329SS*.SBendtrans-133.1148.9-178.1-66.6-174.7170.6-168.80110.4F598 E619F598-K616 VanDerWaalsContact CE2-C 3.42Å; F598-K616 VanDerWaalsContact CE2-O 3.29Å; F598-K616 WeakPolarHBondContact CE2-O 3.41Å; F598-K616 WeakPolarHBondContact CZ-O 3.34Å; K616-E619 IonicContact NZ-OE1 3.12Å; K616-E619 PolarHBondContact NZ-OE1 3.34Å
617R81.7Confident75.5Confident37 Ų3762.5 Ų62.514%0.1433%0.327CS..  trans-51.5141.4159.6-172.8-155.4-82.5-149.412.1107.4N582 E586 V591 D595 F598 E619N582-R617 WeakPolarHBondContact OD1-CD 3.49Å; N582-R617 WeakPolarHBondContact OD1-CG 3.47Å; E586-R617 IonicContact OE1-CZ 3.7Å; E586-R617 IonicContact OE1-NH1 3.78Å; E586-R617 PolarHBondContact OE1-NH1 3.43Å; E586-R617 IonicContact OE2-NH1 2.9Å; V591-R617 PolarHBondContact O-NH2 3.09Å; D595-R617 VanDerWaalsContact N-NH2 3.16Å; D595-R617 IonicContact OD1-CZ 2.6Å; D595-R617 IonicContact OD1-NE 3.51Å; D595-R617 PolarHBondContact OD1-NE 2.81Å; D595-R617 IonicContact OD1-NH2 2.77Å; D595-R617 PolarHBondContact OD1-NH2 3.41Å; D595-R617 IonicContact OD2-NH2 2.63Å; D595-R617 PolarHBondContact OD2-NH2 3.25Å; F598-R617 HydrophobicContact CB-CG 4.41Å; F598-R617 HydrophobicContact CD1-CB 4.16Å; F598-R617 HydrophobicContact CD2-CB 4.08Å; F598-R617 HydrophobicContact CD2-CG 4.39Å; F598-R617 HydrophobicContact CE1-CB 4.45Å; F598-R617 VanDerWaalsContact CE2-CA 3.47Å; F598-R617 HydrophobicContact CE2-CB 4.37Å; F598-R617 VanDerWaalsContact CE2-N 3.35Å; F598-R617 HydrophobicContact CG-CB 3.98Å; F598-R617 HydrophobicContact CG-CG 4.28Å; R617-E619 PolarHBondContact O-N 3.19Å
618P71.9Confident74.9Confident54 Ų5462.2 Ų62.235%0.35132%0.321SS..  trans-52.2108163.2-22.432000107.3I578 A620I578-P618 HydrophobicContact CG2-CG 3.66Å; P618-A620 PolarHBondContact O-N 3.04Å; P618-A620 VanDerWaalsContact O-N 3.14Å
619E61.3Low74.4Confident142 Ų14263.6 Ų63.666%0.66433%0.328SS*.  trans-52.5126.4171.2-70.7170.5-168.200105K616 R617 K621K616-E619 IonicContact NZ-OE1 3.12Å; K616-E619 PolarHBondContact NZ-OE1 3.34Å; R617-E619 PolarHBondContact O-N 3.19Å; E619-K621 PolarHBondContact O-N 2.98Å; E619-K621 VanDerWaalsContact O-N 3.14Å
620A53.1Low74Confident36 Ų3667.6 Ų67.630%0.29835%0.349SS..  trans-49.9132173.600000106P618 D622P618-A620 PolarHBondContact O-N 3.04Å; P618-A620 VanDerWaalsContact O-N 3.14Å; A620-D622 PolarHBondContact O-N 2.98Å
621K49.8Very low73.7Confident156 Ų15662.9 Ų62.968%0.67833%0.327SS*.  trans-63.992.3168.9-80.8-168.6175.6-174.90106E619 Q623 L624E619-K621 PolarHBondContact O-N 2.98Å; E619-K621 VanDerWaalsContact O-N 3.14Å; K621-Q623 PolarHBondContact O-N 2.82Å; K621-L624 HydrophobicContact CB-CD1 3.91Å; K621-L624 HydrophobicContact CB-CG 3.97Å; K621-L624 VanDerWaalsContact O-CB 3.25Å; K621-L624 WeakPolarHBondContact O-CB 3.14Å; K621-L624 WeakPolarHBondContact O-CG 3.37Å; K621-L624 PolarHBondContact O-N 2.8Å; K621-L624 VanDerWaalsContact O-N 3.1Å
622D49.5Very low73.4Confident87 Ų8762.5 Ų62.547%0.46532%0.321SS..THydrogen-bonded Turntrans-69.9-7.3-166.4-109.18.8000112.7A620 L624 T650 K654A620-D622 PolarHBondContact O-N 2.98Å; D622-L624 VanDerWaalsContact C-N 3.29Å; D622-T650 VanDerWaalsContact O-CG2 3.3Å; D622-T650 WeakPolarHBondContact O-CG2 3.35Å; D622-K654 PolarHBondContact O-NZ 3.46Å; D622-K654 IonicContact OD1-NZ 2.64Å; D622-K654 PolarHBondContact OD1-NZ 3.29Å; D622-K654 IonicContact OD2-NZ 3.45Å; D622-K654 PolarHBondContact OD2-NZ 2.82Å
623Q51.9Low72.7Confident81 Ų8167.6 Ų67.638%0.37934%0.344SS..THydrogen-bonded Turntrans-76.1-8.9173.7-56.6172.24.100113.7K621 I625 E651K621-Q623 PolarHBondContact O-N 2.82Å; Q623-I625 PolarHBondContact O-N 3.32Å; Q623-E651 HydrophobicContact CG-CG 4.19Å; Q623-E651 WeakPolarHBondContact CG-OE1 3.47Å; Q623-E651 PolarHBondContact N-OE1 2.82Å
624L59.8Low72.5Confident30 Ų3072.3 Ų72.316%0.15736%0.36CS..  trans-83.184.3-166.5-74.9-175.4000112.6R583 K621 D622 A626 F627 W640R583-L624 VanDerWaalsContact CZ-CD1 3.41Å; K621-L624 HydrophobicContact CB-CD1 3.91Å; K621-L624 HydrophobicContact CB-CG 3.97Å; K621-L624 VanDerWaalsContact O-CB 3.25Å; K621-L624 WeakPolarHBondContact O-CB 3.14Å; K621-L624 WeakPolarHBondContact O-CG 3.37Å; K621-L624 PolarHBondContact O-N 2.8Å; K621-L624 VanDerWaalsContact O-N 3.1Å; D622-L624 VanDerWaalsContact C-N 3.29Å; L624-A626 VanDerWaalsContact C-N 3.32Å; L624-A626 PolarHBondContact O-N 3.09Å; L624-F627 WeakPolarHBondContact O-CE2 3.39Å; L624-F627 WeakPolarHBondContact O-CZ 3.45Å; L624-W640 HydrophobicContact CB-CE3 4.18Å; L624-W640 HydrophobicContact CB-CH2 4.2Å; L624-W640 HydrophobicContact CB-CZ3 3.56Å; L624-W640 HydrophobicContact CD1-CD2 4.47Å; L624-W640 HydrophobicContact CD1-CE3 4.08Å; L624-W640 HydrophobicContact CD1-CH2 4.25Å; L624-W640 HydrophobicContact CD1-CZ3 3.95Å; L624-W640 HydrophobicContact CD2-CD2 4.31Å; L624-W640 HydrophobicContact CD2-CE3 3.53Å; L624-W640 HydrophobicContact CD2-CZ3 3.86Å; L624-W640 HydrophobicContact CG-CE3 4.14Å; L624-W640 HydrophobicContact CG-CZ3 3.98Å
625I70.2Confident72.5Confident2 Ų273 Ų731%0.0136%0.363CS..  trans-63.3-26.5-174-75.5160.9000115Q623 F646 M649 T650 S703 L705 I706Q623-I625 PolarHBondContact O-N 3.32Å; I625-F646 HydrophobicContact CB-CB 4.47Å; I625-F646 HydrophobicContact CD1-CB 3.31Å; I625-F646 WeakPolarHBondContact CD1-O 3.29Å; I625-F646 HydrophobicContact CG1-CB 4.43Å; I625-F646 HydrophobicContact CG2-CB 4.32Å; I625-F646 HydrophobicContact CG2-CD2 4.49Å; I625-M649 HydrophobicContact CD1-CB 4.04Å; I625-T650 WeakPolarHBondContact CD1-OG1 3.42Å; I625-T650 WeakPolarHBondContact CG1-OG1 3.43Å; I625-S703 WeakPolarHBondContact CG2-OG 3.02Å; I625-S703 WeakPolarHBondContact O-CB 3.03Å; I625-S703 PolarHBondContact O-OG 3.46Å; I625-L705 HydrophobicContact CD1-CD2 3.91Å; I625-L705 HydrophobicContact CG1-CD2 4.41Å; I625-L705 HydrophobicContact CG2-CB 3.97Å; I625-L705 HydrophobicContact CG2-CD2 3.84Å; I625-I706 HydrophobicContact CG2-CD1 4.5Å; I625-I706 HydrophobicContact CG2-CG1 4.41Å
626A77.2Confident72.5Confident0 Ų068.1 Ų68.10%034%0.34CS..  trans-121.2104.3-167.800000113.2L624 P628 V639 W640 A643 I701 I706L624-A626 VanDerWaalsContact C-N 3.32Å; L624-A626 PolarHBondContact O-N 3.09Å; A626-P628 VanDerWaalsContact O-CD 3.24Å; A626-P628 WeakPolarHBondContact O-CD 3.49Å; A626-V639 HydrophobicContact CB-CG1 3.9Å; A626-V639 WeakPolarHBondContact O-CG1 3.25Å; A626-W640 WeakPolarHBondContact O-CH2 3.22Å; A626-W640 WeakPolarHBondContact O-CZ3 3.43Å; A626-A643 HydrophobicContact CB-CB 3.36Å; A626-I701 HydrophobicContact CB-CD1 4.38Å; A626-I701 HydrophobicContact CB-CG2 3.72Å; A626-I706 HydrophobicContact CB-CD1 3.63Å
627F75.8Confident72.5Confident32 Ų3264 Ų6414%0.1433%0.334CS..EExtended strand (participates in β ladder)trans-90.7111.5-173.9-67.8-98.9000111.3R583 L624 I629 W640 I701 S702 P794R583-F627 VanDerWaalsContact NH2-CE1 3.34Å; L624-F627 WeakPolarHBondContact O-CE2 3.39Å; L624-F627 WeakPolarHBondContact O-CZ 3.45Å; F627-I629 PolarHBondContact O-N 2.85Å; F627-W640 HydrophobicContact CD1-CH2 4.34Å; F627-I701 CarbonylContact O-C 3.53Å; F627-I701 WeakPolarHBondContact O-CA 3Å; F627-S702 PolarHBondContact N-O 2.82Å; F627-S702 PolarHBondContact O-N 2.66Å; F627-P794 HydrophobicContact CB-CB 4.43Å; F627-P794 HydrophobicContact CD1-CB 4.02Å; F627-P794 HydrophobicContact CD1-CG 3.77Å; F627-P794 HydrophobicContact CD2-CB 3.18Å; F627-P794 HydrophobicContact CD2-CG 3.76Å; F627-P794 HydrophobicContact CE1-CB 4.08Å; F627-P794 HydrophobicContact CE1-CG 3.49Å; F627-P794 VanDerWaalsContact CE1-CG 3.49Å; F627-P794 HydrophobicContact CE2-CB 3.24Å; F627-P794 HydrophobicContact CE2-CG 3.46Å; F627-P794 VanDerWaalsContact CE2-CG 3.46Å; F627-P794 HydrophobicContact CG-CB 3.6Å; F627-P794 HydrophobicContact CG-CG 3.91Å; F627-P794 HydrophobicContact CZ-CB 3.75Å; F627-P794 HydrophobicContact CZ-CG 3.35Å
628P80.4Confident72.8Confident10 Ų1063.2 Ų63.27%0.06533%0.332CS..EExtended strand (participates in β ladder)trans-66.4133.2176.227.1-33000111A626 C631 E636 V639 W640 Q700A626-P628 VanDerWaalsContact O-CD 3.24Å; A626-P628 WeakPolarHBondContact O-CD 3.49Å; P628-C631 HydrophobicContact CB-CB 3.84Å; P628-C631 WeakPolarHBondContact CB-SG 3.34Å; P628-E636 HydrophobicContact CB-CB 4.35Å; P628-E636 HydrophobicContact CB-CG 3.89Å; P628-E636 HydrophobicContact CG-CB 4.06Å; P628-E636 HydrophobicContact CG-CG 3.75Å; P628-E636 WeakPolarHBondContact CG-OE1 3.13Å; P628-V639 HydrophobicContact CB-CB 4.28Å; P628-V639 HydrophobicContact CB-CG1 4.2Å; P628-V639 HydrophobicContact CB-CG2 4.2Å; P628-V639 HydrophobicContact CG-CG1 4.43Å; P628-W640 HydrophobicContact CG-CH2 4.31Å; P628-W640 HydrophobicContact CG-CZ2 3.63Å; P628-Q700 WeakPolarHBondContact CA-O 3.4Å
629I79.6Confident73.5Confident46 Ų4660.7 Ų60.724%0.23632%0.316CS..EExtended strand (participates in β ladder)trans-125131.9177.5-67.6169.9000108F627 C631 C699 Q700 V800F627-I629 PolarHBondContact O-N 2.85Å; I629-C631 PolarHBondContact N-SG 2.97Å; I629-C631 PolarHBondContact O-N 3.19Å; I629-C631 PolarHBondContact O-SG 2.71Å; I629-C699 CarbonylContact O-C 3.56Å; I629-C699 WeakPolarHBondContact O-CA 3.4Å; I629-Q700 HydrophobicContact CB-CB 4.19Å; I629-Q700 PolarHBondContact N-O 3.11Å; I629-Q700 PolarHBondContact O-N 2.98Å; I629-V800 HydrophobicContact CD1-CG2 3.81Å
630N82Confident74.6Confident126 Ų12656 Ų5667%0.67429%0.292SS*.SBendtrans55.629.7-178.4-59.7-33.2000114.6C699N630-C699 WeakPolarHBondContact O-CA 3.42Å
631C81.9Confident76.3Confident27 Ų2761.2 Ų61.218%0.18231%0.308CS..  trans-94.2143.9-177.5-58.30000112.3P628 I629 E635 E636 C699P628-C631 HydrophobicContact CB-CB 3.84Å; P628-C631 WeakPolarHBondContact CB-SG 3.34Å; I629-C631 PolarHBondContact N-SG 2.97Å; I629-C631 PolarHBondContact O-N 3.19Å; I629-C631 PolarHBondContact O-SG 2.71Å; C631-E635 HydrophobicContact CB-CB 4.1Å; C631-E636 HydrophobicContact CB-CG 3.81Å; C631-C699 HydrophobicContact CB-CB 3.77Å; C631-C699 WeakPolarHBondContact CB-SG 3.4Å; C631-C699 WeakPolarHBondContact SG-CB 3.37Å; C631-C699 CovalentContact SG-SG 2.01Å; C631-C699 PolarHBondContact SG-SG 2.85Å
632T83.8Confident78.2Confident80 Ų8053.8 Ų53.849%0.49128%0.276SS..  trans-70.5159.6161.963.60000110.2Q634 E635 E636T632-Q634 PolarHBondContact O-N 2.96Å; T632-E635 WeakPolarHBondContact CB-OE2 3.41Å; T632-E635 WeakPolarHBondContact CG2-OE2 3.44Å; T632-E635 PolarHBondContact N-OE2 3.17Å; T632-E635 CarbonylContact O-C 3.57Å; T632-E635 WeakPolarHBondContact O-CA 3.38Å; T632-E635 WeakPolarHBondContact O-CB 3.35Å; T632-E635 PolarHBondContact O-N 3.43Å; T632-E635 WeakPolarHBondContact OG1-CG 3.43Å; T632-E635 PolarHBondContact OG1-OE2 2.04Å; T632-E636 PolarHBondContact O-N 3.11Å
633E75.4Confident80Confident113 Ų11349.7 Ų49.753%0.52825%0.254SS..Hα-helixtrans-55.9-36.9-179.1-176.8173.7-156.700113.4E635 E636 A637E633-E635 VanDerWaalsContact C-N 3.33Å; E633-E636 PolarHBondContact O-N 3.09Å; E633-A637 WeakPolarHBondContact O-CB 3.28Å; E633-A637 PolarHBondContact O-N 3.39Å
634Q83.5Confident81.6Confident170 Ų17050.3 Ų50.379%0.79426%0.26SS*.Hα-helixtrans-66.2-36.1175.2-65178.2-2.400112T632 L638T632-Q634 PolarHBondContact O-N 2.96Å; Q634-L638 WeakPolarHBondContact O-CB 3.44Å; Q634-L638 PolarHBondContact O-N 3.29Å
635E87.3Confident82.8Confident27 Ų2752.2 Ų52.213%0.12627%0.268CS..Hα-helixtrans-77.3-37.8176.9-61.7166.4137.900111.2C631 T632 E633 L638 V639 I693 S697 C699C631-E635 HydrophobicContact CB-CB 4.1Å; T632-E635 WeakPolarHBondContact CB-OE2 3.41Å; T632-E635 WeakPolarHBondContact CG2-OE2 3.44Å; T632-E635 PolarHBondContact N-OE2 3.17Å; T632-E635 CarbonylContact O-C 3.57Å; T632-E635 WeakPolarHBondContact O-CA 3.38Å; T632-E635 WeakPolarHBondContact O-CB 3.35Å; T632-E635 PolarHBondContact O-N 3.43Å; T632-E635 WeakPolarHBondContact OG1-CG 3.43Å; T632-E635 PolarHBondContact OG1-OE2 2.04Å; E633-E635 VanDerWaalsContact C-N 3.33Å; E635-L638 PolarHBondContact O-N 3.06Å; E635-V639 VanDerWaalsContact O-CG2 3.29Å; E635-V639 WeakPolarHBondContact O-CG2 3.42Å; E635-V639 PolarHBondContact O-N 3.03Å; E635-I693 HydrophobicContact CB-CD1 3.81Å; E635-I693 HydrophobicContact CG-CD1 3.7Å; E635-I693 HydrophobicContact CG-CG1 3.98Å; E635-S697 VanDerWaalsContact CD-OG 3.31Å; E635-S697 WeakPolarHBondContact OE1-CB 3.42Å; E635-S697 PolarHBondContact OE1-OG 2.78Å; E635-C699 HydrophobicContact CB-CB 4.39Å
636E83Confident83.3Confident27 Ų2752.1 Ų52.113%0.12627%0.267CS..Hα-helixtrans-56-52169.9-68.3-155.6116.800110R584 R587 P628 C631 T632 E633 L638 V639 W640R584-E636 IonicContact NH2-OE2 2.73Å; R584-E636 PolarHBondContact NH2-OE2 2.92Å; R587-E636 IonicContact NH1-OE1 3.81Å; R587-E636 PolarHBondContact NH1-OE1 3.35Å; P628-E636 HydrophobicContact CB-CB 4.35Å; P628-E636 HydrophobicContact CB-CG 3.89Å; P628-E636 HydrophobicContact CG-CB 4.06Å; P628-E636 HydrophobicContact CG-CG 3.75Å; P628-E636 WeakPolarHBondContact CG-OE1 3.13Å; C631-E636 HydrophobicContact CB-CG 3.81Å; T632-E636 PolarHBondContact O-N 3.11Å; E633-E636 PolarHBondContact O-N 3.09Å; E636-L638 PolarHBondContact O-N 2.78Å; E636-V639 WeakPolarHBondContact O-CB 3.46Å; E636-V639 PolarHBondContact O-N 3.07Å; E636-W640 VanDerWaalsContact O-CG 3.31Å; E636-W640 PolarHBondContact O-N 3.28Å
637A83.8Confident83.3Confident62 Ų6254.3 Ų54.351%0.51228%0.279SS..Hα-helixtrans-57.8-35.1179.100000112.8E633 K641E633-A637 WeakPolarHBondContact O-CB 3.28Å; E633-A637 PolarHBondContact O-N 3.39Å; A637-K641 WeakPolarHBondContact O-CB 3.41Å; A637-K641 PolarHBondContact O-N 3.48Å
638L87.4Confident83.3Confident20 Ų2054.2 Ų54.211%0.10529%0.287CS..Hα-helixtrans-77.4-39.3177.3178.560.1000113.2Q634 E635 E636 W640 K641 C642 W689 S692 I693Q634-L638 WeakPolarHBondContact O-CB 3.44Å; Q634-L638 PolarHBondContact O-N 3.29Å; E635-L638 PolarHBondContact O-N 3.06Å; E636-L638 PolarHBondContact O-N 2.78Å; L638-W640 VanDerWaalsContact C-N 3.27Å; L638-W640 PolarHBondContact O-N 3.17Å; L638-K641 HydrophobicContact CD1-CD 4.48Å; L638-K641 PolarHBondContact O-N 3.04Å; L638-C642 PolarHBondContact O-N 2.74Å; L638-C642 PolarHBondContact O-SG 2.87Å; L638-C642 VanDerWaalsContact O-SG 3.35Å; L638-W689 HydrophobicContact CG-CZ3 4.41Å; L638-S692 VanDerWaalsContact CD1-CB 3.45Å; L638-S692 WeakPolarHBondContact CD2-O 3.25Å; L638-I693 HydrophobicContact CD2-CB 4.14Å; L638-I693 HydrophobicContact CD2-CD1 3.49Å; L638-I693 VanDerWaalsContact CD2-CD1 3.49Å; L638-I693 HydrophobicContact CD2-CG1 3.56Å; L638-I693 HydrophobicContact CG-CD1 4.29Å
639V86.3Confident83.2Confident0 Ų054 Ų540%029%0.285CS..Hα-helixtrans-53.6-49.1169.3166.40000109.3A626 P628 E635 E636 C642 A643 W689 I701 F803A626-V639 HydrophobicContact CB-CG1 3.9Å; A626-V639 WeakPolarHBondContact O-CG1 3.25Å; P628-V639 HydrophobicContact CB-CB 4.28Å; P628-V639 HydrophobicContact CB-CG1 4.2Å; P628-V639 HydrophobicContact CB-CG2 4.2Å; P628-V639 HydrophobicContact CG-CG1 4.43Å; E635-V639 VanDerWaalsContact O-CG2 3.29Å; E635-V639 WeakPolarHBondContact O-CG2 3.42Å; E635-V639 PolarHBondContact O-N 3.03Å; E636-V639 WeakPolarHBondContact O-CB 3.46Å; E636-V639 PolarHBondContact O-N 3.07Å; V639-C642 PolarHBondContact O-N 3.13Å; V639-A643 WeakPolarHBondContact O-CB 3.48Å; V639-A643 PolarHBondContact O-N 2.86Å; V639-W689 HydrophobicContact CB-CZ3 4.4Å; V639-W689 HydrophobicContact CG2-CH2 3.73Å; V639-W689 HydrophobicContact CG2-CZ3 3.55Å; V639-I701 HydrophobicContact CB-CD1 4.37Å; V639-I701 HydrophobicContact CB-CG1 4.43Å; V639-I701 HydrophobicContact CG1-CD1 3.79Å; V639-I701 HydrophobicContact CG1-CG1 3.72Å; V639-I701 HydrophobicContact CG2-CD1 3.9Å; V639-I701 HydrophobicContact CG2-CG1 3.8Å; V639-F803 HydrophobicContact CG2-CZ 4.27Å
640W85.2Confident82.9Confident45 Ų4552.2 Ų52.217%0.1728%0.276CS..Hα-helixtrans-61.1-49.3176.6-60.5129.1000112.3L624 A626 F627 P628 E636 L638 C642 A643 D644L624-W640 HydrophobicContact CB-CE3 4.18Å; L624-W640 HydrophobicContact CB-CH2 4.2Å; L624-W640 HydrophobicContact CB-CZ3 3.56Å; L624-W640 HydrophobicContact CD1-CD2 4.47Å; L624-W640 HydrophobicContact CD1-CE3 4.08Å; L624-W640 HydrophobicContact CD1-CH2 4.25Å; L624-W640 HydrophobicContact CD1-CZ3 3.95Å; L624-W640 HydrophobicContact CD2-CD2 4.31Å; L624-W640 HydrophobicContact CD2-CE3 3.53Å; L624-W640 HydrophobicContact CD2-CZ3 3.86Å; L624-W640 HydrophobicContact CG-CE3 4.14Å; L624-W640 HydrophobicContact CG-CZ3 3.98Å; A626-W640 WeakPolarHBondContact O-CH2 3.22Å; A626-W640 WeakPolarHBondContact O-CZ3 3.43Å; F627-W640 HydrophobicContact CD1-CH2 4.34Å; P628-W640 HydrophobicContact CG-CH2 4.31Å; P628-W640 HydrophobicContact CG-CZ2 3.63Å; E636-W640 VanDerWaalsContact O-CG 3.31Å; E636-W640 PolarHBondContact O-N 3.28Å; L638-W640 VanDerWaalsContact C-N 3.27Å; L638-W640 PolarHBondContact O-N 3.17Å; W640-C642 VanDerWaalsContact C-N 3.3Å; W640-C642 PolarHBondContact O-N 3.1Å; W640-A643 PolarHBondContact O-N 2.02Å; W640-D644 PolarHBondContact O-N 3.01Å
641K88.4Confident82.6Confident144 Ų14449.6 Ų49.663%0.62626%0.26SS*.Hα-helixtrans-57.5-39.4178.9-177.8-175.5175.5-171.90113.2A637 L638 D644A637-K641 WeakPolarHBondContact O-CB 3.41Å; A637-K641 PolarHBondContact O-N 3.48Å; L638-K641 HydrophobicContact CD1-CD 4.48Å; L638-K641 PolarHBondContact O-N 3.04Å; K641-D644 WeakPolarHBondContact O-CB 3.31Å
642C89.5Confident82.7Confident0 Ų052.4 Ų52.40%027%0.267CS..Hα-helixtrans-79.3-36.8179.3-60.90000112.1L638 V639 W640 D644 H645 F685 C688L638-C642 PolarHBondContact O-N 2.74Å; L638-C642 PolarHBondContact O-SG 2.87Å; L638-C642 VanDerWaalsContact O-SG 3.35Å; V639-C642 PolarHBondContact O-N 3.13Å; W640-C642 VanDerWaalsContact C-N 3.3Å; W640-C642 PolarHBondContact O-N 3.1Å; C642-D644 PolarHBondContact O-N 3.35Å; C642-H645 PolarHBondContact O-CD2 3.14Å; C642-F685 HydrophobicContact CB-CD2 3.81Å; C642-F685 HydrophobicContact CB-CE2 3.71Å; C642-F685 HydrophobicContact CB-CZ 4.46Å; C642-F685 WeakPolarHBondContact O-CD2 3.22Å; C642-C688 WeakPolarHBondContact CA-SG 3.3Å; C642-C688 HydrophobicContact CB-CB 3.68Å; C642-C688 WeakPolarHBondContact CB-SG 3.5Å; C642-C688 WeakPolarHBondContact SG-CB 3.38Å; C642-C688 CovalentContact SG-SG 2.05Å; C642-C688 PolarHBondContact SG-SG 3.38Å
643A87.8Confident82.5Confident1 Ų148.8 Ų48.81%0.00824%0.244CC..Hα-helixtrans-68.5-22.6176.600000113.5A626 V639 W640 H645 F646 F685A626-A643 HydrophobicContact CB-CB 3.36Å; V639-A643 WeakPolarHBondContact O-CB 3.48Å; V639-A643 PolarHBondContact O-N 2.86Å; W640-A643 PolarHBondContact O-N 2.02Å; A643-H645 PolarHBondContact O-N 3Å; A643-F646 PolarHBondContact O-N 2.86Å; A643-F685 HydrophobicContact CB-CE2 4.36Å
644D85.9Confident82.6Confident95 Ų9546.3 Ų46.351%0.50823%0.232SC..G310 helixtrans-49.5-30.9176-15975.8000113.1W640 K641 C642 F646 N647W640-D644 PolarHBondContact O-N 3.01Å; K641-D644 WeakPolarHBondContact O-CB 3.31Å; C642-D644 PolarHBondContact O-N 3.35Å; D644-F646 PolarHBondContact O-N 3.46Å; D644-N647 VanDerWaalsContact O-CB 3.25Å; D644-N647 WeakPolarHBondContact O-CB 3.45Å; D644-N647 PolarHBondContact O-N 3.22Å; D644-N647 PolarHBondContact O-ND2 2.03Å; D644-N647 PolarHBondContact OD1-ND2 3.21Å
645H83.9Confident82.6Confident70 Ų7043.8 Ų43.832%0.32422%0.22SC..G310 helixtrans-56.1-34.4173.4-70.1-48.9000113.4C642 A643 K681 L684C642-H645 PolarHBondContact O-CD2 3.14Å; A643-H645 PolarHBondContact O-N 3Å; H645-K681 WeakPolarHBondContact O-CD 3.01Å; H645-K681 WeakPolarHBondContact O-CE 3.4Å; H645-K681 PolarHBondContact O-NZ 3.36Å; H645-L684 HydrophobicContact CB-CB 4.48Å
646F81.3Confident82.4Confident0 Ų043.5 Ų43.50%022%0.219CC..G310 helixtrans-85.7-3179.5-54.8-78.9000113.9I625 A643 D644 G648 M649 K681 M682 F685 L705 I706I625-F646 HydrophobicContact CB-CB 4.47Å; I625-F646 HydrophobicContact CD1-CB 3.31Å; I625-F646 WeakPolarHBondContact CD1-O 3.29Å; I625-F646 HydrophobicContact CG1-CB 4.43Å; I625-F646 HydrophobicContact CG2-CB 4.32Å; I625-F646 HydrophobicContact CG2-CD2 4.49Å; A643-F646 PolarHBondContact O-N 2.86Å; D644-F646 PolarHBondContact O-N 3.46Å; F646-G648 PolarHBondContact O-N 2.92Å; F646-M649 HydrophobicContact CB-SD 4.05Å; F646-M649 HydrophobicContact CD1-CE 4.19Å; F646-M649 HydrophobicContact CD1-SD 3.75Å; F646-M649 HydrophobicContact CG-SD 4.4Å; F646-M649 VanDerWaalsContact O-CB 3.24Å; F646-M649 WeakPolarHBondContact O-CB 3.44Å; F646-M649 VanDerWaalsContact O-CG 3.26Å; F646-M649 WeakPolarHBondContact O-CG 3.44Å; F646-M649 PolarHBondContact O-N 3.02Å; F646-K681 HydrophobicContact CD1-CB 4.23Å; F646-K681 HydrophobicContact CE1-CB 4.06Å; F646-M682 HydrophobicContact CE1-CE 4.06Å; F646-M682 HydrophobicContact CE2-CE 4.34Å; F646-M682 HydrophobicContact CZ-CE 3.44Å; F646-M682 VanDerWaalsContact CZ-CE 3.44Å; F646-M682 HydrophobicContact CZ-SD 4.09Å; F646-F685 HydrophobicContact CD2-CD2 4.33Å; F646-F685 HydrophobicContact CE2-CB 3.56Å; F646-F685 AromaticContact CE2-CD2 3.59Å; F646-F685 HydrophobicContact CE2-CD2 3.59Å; F646-F685 AromaticContact CE2-CG 3.68Å; F646-F685 HydrophobicContact CE2-CG 3.68Å; F646-F685 HydrophobicContact CZ-CB 3.74Å; F646-F685 HydrophobicContact CZ-CG 4.2Å; F646-L705 HydrophobicContact CB-CD2 4.18Å; F646-L705 HydrophobicContact CD1-CD2 4.04Å; F646-L705 HydrophobicContact CG-CD2 4.25Å; F646-I706 HydrophobicContact CD2-CD1 4.48Å; F646-I706 HydrophobicContact CD2-CG1 4.32Å; F646-I706 HydrophobicContact CE2-CD1 4.08Å; F646-I706 HydrophobicContact CE2-CG1 3.75Å; F646-I706 HydrophobicContact CZ-CG1 4.23Å
647N77.1Confident82.2Confident46 Ų4642.5 Ų42.525%0.24622%0.215CC..THydrogen-bonded Turntrans-48.2141.1179.6-73.3-10.9000112.2D644 M649D644-N647 VanDerWaalsContact O-CB 3.25Å; D644-N647 WeakPolarHBondContact O-CB 3.45Å; D644-N647 PolarHBondContact O-N 3.22Å; D644-N647 PolarHBondContact O-ND2 2.03Å; D644-N647 PolarHBondContact OD1-ND2 3.21Å; N647-M649 VanDerWaalsContact C-N 3.26Å; N647-M649 PolarHBondContact O-N 3.13Å
648G75.7Confident81.9Confident29 Ų2941.8 Ų41.830%0.29921%0.213SC..THydrogen-bonded Turntrans82.6-15.2-174.600000115F646 E651 R652F646-G648 PolarHBondContact O-N 2.92Å; G648-E651 PolarHBondContact O-N 3.38Å; G648-R652 PolarHBondContact O-N 3.38Å; G648-R652 VanDerWaalsContact O-N 3.13Å
649M79.4Confident81.7Confident5 Ų545.4 Ų45.43%0.02523%0.228CC..Hα-helixtrans-68.6-44.2173.4-67.8-179.1-174.500111.8I625 F646 N647 E651 R652 L653 V674 D677 K681 L705I625-M649 HydrophobicContact CD1-CB 4.04Å; F646-M649 HydrophobicContact CB-SD 4.05Å; F646-M649 HydrophobicContact CD1-CE 4.19Å; F646-M649 HydrophobicContact CD1-SD 3.75Å; F646-M649 HydrophobicContact CG-SD 4.4Å; F646-M649 VanDerWaalsContact O-CB 3.24Å; F646-M649 WeakPolarHBondContact O-CB 3.44Å; F646-M649 VanDerWaalsContact O-CG 3.26Å; F646-M649 WeakPolarHBondContact O-CG 3.44Å; F646-M649 PolarHBondContact O-N 3.02Å; N647-M649 VanDerWaalsContact C-N 3.26Å; N647-M649 PolarHBondContact O-N 3.13Å; M649-E651 VanDerWaalsContact C-N 3.26Å; M649-E651 PolarHBondContact O-N 3.48Å; M649-R652 PolarHBondContact O-N 3.42Å; M649-L653 VanDerWaalsContact O-CB 3.24Å; M649-L653 WeakPolarHBondContact O-CB 3.36Å; M649-L653 PolarHBondContact O-N 2.75Å; M649-V674 HydrophobicContact CB-CG1 4.24Å; M649-D677 VanDerWaalsContact CE-C 3.43Å; M649-D677 HydrophobicContact CE-CB 3.71Å; M649-D677 WeakPolarHBondContact CE-O 3.45Å; M649-K681 HydrophobicContact CE-CB 4.43Å; M649-K681 HydrophobicContact CE-CD 3.54Å; M649-K681 HydrophobicContact CE-CG 4.09Å; M649-L705 HydrophobicContact CB-CD2 4.2Å; M649-L705 HydrophobicContact SD-CD2 3.86Å
650T73.2Confident81.3Confident9 Ų945.5 Ų45.56%0.05523%0.229CC..Hα-helixtrans-59.6-37.5175.1-53.70000111.9D622 I625 L653 K654D622-T650 VanDerWaalsContact O-CG2 3.3Å; D622-T650 WeakPolarHBondContact O-CG2 3.35Å; I625-T650 WeakPolarHBondContact CD1-OG1 3.42Å; I625-T650 WeakPolarHBondContact CG1-OG1 3.43Å; T650-L653 PolarHBondContact O-N 2.06Å; T650-K654 HydrophobicContact CG2-CD 3.96Å; T650-K654 HydrophobicContact CG2-CG 4.14Å; T650-K654 VanDerWaalsContact O-CB 3.25Å; T650-K654 WeakPolarHBondContact O-CB 3.43Å; T650-K654 VanDerWaalsContact O-CG 3.31Å; T650-K654 WeakPolarHBondContact O-CG 3.29Å; T650-K654 PolarHBondContact O-N 3.06Å
651E76.1Confident81.1Confident71 Ų7143.7 Ų43.733%0.33222%0.223SC..Hα-helixtrans-66-47.7177.3-56-50.8144.900111.6Q623 G648 M649 L653 K654 E655Q623-E651 HydrophobicContact CG-CG 4.19Å; Q623-E651 WeakPolarHBondContact CG-OE1 3.47Å; Q623-E651 PolarHBondContact N-OE1 2.82Å; G648-E651 PolarHBondContact O-N 3.38Å; M649-E651 VanDerWaalsContact C-N 3.26Å; M649-E651 PolarHBondContact O-N 3.48Å; E651-L653 PolarHBondContact O-N 2.88Å; E651-K654 PolarHBondContact O-N 2.93Å; E651-E655 WeakPolarHBondContact O-CB 3.43Å; E651-E655 PolarHBondContact O-N 3.09Å
652R82.7Confident80.7Confident87 Ų8738.7 Ų38.733%0.32821%0.205SC..Hα-helixtrans-57.5-39.8172.8-73175.572.3-170.13.7111.6G648 M649 E655 L656 E673 V674 D677G648-R652 PolarHBondContact O-N 3.38Å; G648-R652 VanDerWaalsContact O-N 3.13Å; M649-R652 PolarHBondContact O-N 3.42Å; R652-E655 PolarHBondContact O-N 3.43Å; R652-L656 VanDerWaalsContact O-CG 3.28Å; R652-L656 WeakPolarHBondContact O-CG 3.29Å; R652-L656 PolarHBondContact O-N 3.06Å; R652-E673 IonicContact NH2-OE2 2.74Å; R652-E673 PolarHBondContact NH2-OE2 3.12Å; R652-V674 HydrophobicContact CB-CG2 3.87Å; R652-D677 IonicContact CZ-OD2 2.71Å; R652-D677 IonicContact NH1-OD2 2.68Å; R652-D677 PolarHBondContact NH1-OD2 2.93Å
653L79.4Confident80.4Confident3 Ų341.6 Ų41.62%0.01622%0.218CC..Hα-helixtrans-74-41.3-176.6-156.769.6000111.8M649 T650 E651 L656 V657 L671 V674 L786 E789 V790M649-L653 VanDerWaalsContact O-CB 3.24Å; M649-L653 WeakPolarHBondContact O-CB 3.36Å; M649-L653 PolarHBondContact O-N 2.75Å; T650-L653 PolarHBondContact O-N 2.06Å; E651-L653 PolarHBondContact O-N 2.88Å; L653-L656 PolarHBondContact O-N 2.92Å; L653-V657 WeakPolarHBondContact O-CG2 3.44Å; L653-V657 PolarHBondContact O-N 3.47Å; L653-L671 HydrophobicContact CD1-CD1 3.28Å; L653-V674 HydrophobicContact CB-CG1 4.46Å; L653-V674 HydrophobicContact CD1-CB 4.4Å; L653-V674 HydrophobicContact CD1-CG1 3.96Å; L653-L786 HydrophobicContact CD1-CD1 4.02Å; L653-E789 HydrophobicContact CD2-CB 4.07Å; L653-V790 HydrophobicContact CB-CG2 4.18Å; L653-V790 HydrophobicContact CD1-CG2 4.4Å; L653-V790 HydrophobicContact CD2-CG2 3.28Å; L653-V790 HydrophobicContact CG-CG2 3.31Å
654K77.2Confident80.1Confident61 Ų6142 Ų4227%0.26522%0.221SC..Hα-helixtrans-61.3-40.7168.8-79.5177.3173.4170.80111.7D622 T650 E651 L656 V657 G658 V790D622-K654 PolarHBondContact O-NZ 3.46Å; D622-K654 IonicContact OD1-NZ 2.64Å; D622-K654 PolarHBondContact OD1-NZ 3.29Å; D622-K654 IonicContact OD2-NZ 3.45Å; D622-K654 PolarHBondContact OD2-NZ 2.82Å; T650-K654 HydrophobicContact CG2-CD 3.96Å; T650-K654 HydrophobicContact CG2-CG 4.14Å; T650-K654 VanDerWaalsContact O-CB 3.25Å; T650-K654 WeakPolarHBondContact O-CB 3.43Å; T650-K654 VanDerWaalsContact O-CG 3.31Å; T650-K654 WeakPolarHBondContact O-CG 3.29Å; T650-K654 PolarHBondContact O-N 3.06Å; E651-K654 PolarHBondContact O-N 2.93Å; K654-L656 VanDerWaalsContact C-N 3.35Å; K654-L656 PolarHBondContact O-N 3.19Å; K654-V657 PolarHBondContact O-N 3Å; K654-G658 WeakPolarHBondContact O-CA 3.22Å; K654-G658 PolarHBondContact O-N 2.88Å; K654-V790 HydrophobicContact CG-CG1 4.3Å
655E83.5Confident79.8Confident118 Ų11839 Ų3955%0.55120%0.204SC*.Hα-helixtrans-65.2-38.3177.1-161-152.8138.700111.9E651 R652 K659E651-E655 WeakPolarHBondContact O-CB 3.43Å; E651-E655 PolarHBondContact O-N 3.09Å; R652-E655 PolarHBondContact O-N 3.43Å; E655-K659 VanDerWaalsContact O-CD 3.31Å; E655-K659 WeakPolarHBondContact O-CD 3.24Å; E655-K659 WeakPolarHBondContact O-CE 3.41Å; E655-K659 WeakPolarHBondContact O-CG 3.46Å; E655-K659 IonicContact OE1-NZ 2.71Å; E655-K659 PolarHBondContact OE1-NZ 3.41Å
656L82.8Confident79.8Confident21 Ų2144.1 Ų44.111%0.1123%0.226CC..Hα-helixtrans-67.4-42.7176-74.6168.6000112.4R652 L653 K654 H663 A670 V674R652-L656 VanDerWaalsContact O-CG 3.28Å; R652-L656 WeakPolarHBondContact O-CG 3.29Å; R652-L656 PolarHBondContact O-N 3.06Å; L653-L656 PolarHBondContact O-N 2.92Å; K654-L656 VanDerWaalsContact C-N 3.35Å; K654-L656 PolarHBondContact O-N 3.19Å; L656-H663 PolarHBondContact O-CD2 3.2Å; L656-A670 HydrophobicContact CD1-CB 4.35Å; L656-A670 HydrophobicContact CD2-CB 3.85Å; L656-V674 HydrophobicContact CD1-CG2 4.17Å
657V79.2Confident79.9Confident6 Ų645.2 Ų45.24%0.03623%0.233CC..Hα-helixtrans-85.2-30.8-177.4178.10000113.2L653 K654 K659 G660 V664 V790 L791L653-V657 WeakPolarHBondContact O-CG2 3.44Å; L653-V657 PolarHBondContact O-N 3.47Å; K654-V657 PolarHBondContact O-N 3Å; V657-K659 PolarHBondContact O-N 3Å; V657-K659 VanDerWaalsContact O-N 3.12Å; V657-G660 WeakPolarHBondContact O-CA 3.38Å; V657-G660 PolarHBondContact O-N 3.48Å; V657-V664 HydrophobicContact CB-CG2 4.11Å; V657-V664 HydrophobicContact CG1-CG2 4.44Å; V657-V664 HydrophobicContact CG2-CG2 3.74Å; V657-V790 HydrophobicContact CB-CB 4.25Å; V657-V790 HydrophobicContact CB-CG1 3.41Å; V657-V790 VanDerWaalsContact CB-CG1 3.41Å; V657-V790 HydrophobicContact CG1-CB 4.37Å; V657-V790 HydrophobicContact CG1-CG1 3.8Å; V657-V790 HydrophobicContact CG2-CB 3.9Å; V657-V790 HydrophobicContact CG2-CG1 3.51Å; V657-V790 HydrophobicContact CG2-CG2 3.94Å; V657-L791 HydrophobicContact CG1-CD1 3.79Å; V657-L791 HydrophobicContact CG1-CD2 3.73Å; V657-L791 HydrophobicContact CG1-CG 3.84Å
658G77.4Confident80.2Confident46 Ų4643.8 Ų43.847%0.47423%0.226SC..Hα-helixtrans-62.7-16.417600000113.5K654 G660K654-G658 WeakPolarHBondContact O-CA 3.22Å; K654-G658 PolarHBondContact O-N 2.88Å; G658-G660 PolarHBondContact O-N 2.91Å
659K83.1Confident80.6Confident97 Ų9746.8 Ų46.842%0.42224%0.235SC..THydrogen-bonded Turntrans-82.46.4169.4-65.9166.2-170.8166.90113.5E655 V657 H663E655-K659 VanDerWaalsContact O-CD 3.31Å; E655-K659 WeakPolarHBondContact O-CD 3.24Å; E655-K659 WeakPolarHBondContact O-CE 3.41Å; E655-K659 WeakPolarHBondContact O-CG 3.46Å; E655-K659 IonicContact OE1-NZ 2.71Å; E655-K659 PolarHBondContact OE1-NZ 3.41Å; V657-K659 PolarHBondContact O-N 3Å; V657-K659 VanDerWaalsContact O-N 3.12Å; K659-H663 HydrophobicContact CB-CB 3.65Å; K659-H663 WeakPolarHBondContact CD-NE2 2.97Å; K659-H663 WeakPolarHBondContact O-CB 3.44Å
660G79Confident80.9Confident1 Ų148.2 Ų48.21%0.0125%0.248CC..  trans88.2156.8178.100000114.2V657 G658 P662 H663 V664 W750V657-G660 WeakPolarHBondContact O-CA 3.38Å; V657-G660 PolarHBondContact O-N 3.48Å; G658-G660 PolarHBondContact O-N 2.91Å; G660-P662 VanDerWaalsContact C-CD 3.43Å; G660-P662 VanDerWaalsContact C-N 3.33Å; G660-H663 WeakPolarHBondContact O-CB 3.07Å; G660-H663 PolarHBondContact O-N 3.17Å; G660-V664 PolarHBondContact O-N 3.48Å; G660-W750 CarbonylContact C-O 3.59Å; G660-W750 WeakPolarHBondContact CA-O 3.25Å
661L80.2Confident81.3Confident7 Ų748 Ų484%0.03725%0.246CC..Hα-helixtrans-52.8-41.1178.1172.659.5000113.2H663 V664 L665 F742 M745 W750 L756 F760L661-H663 PolarHBondContact O-N 3.22Å; L661-V664 WeakPolarHBondContact O-CB 2.92Å; L661-V664 PolarHBondContact O-N 3.49Å; L661-V664 VanDerWaalsContact O-N 3.11Å; L661-L665 HydrophobicContact CD1-CD1 4.3Å; L661-L665 HydrophobicContact CD1-CD2 4.08Å; L661-L665 HydrophobicContact CD1-CG 3.89Å; L661-L665 HydrophobicContact CG-CD1 4.28Å; L661-L665 HydrophobicContact CG-CG 4.32Å; L661-L665 WeakPolarHBondContact O-CG 3.12Å; L661-L665 PolarHBondContact O-N 2.99Å; L661-F742 HydrophobicContact CD2-CD2 4.15Å; L661-F742 HydrophobicContact CD2-CE2 3.72Å; L661-F742 HydrophobicContact CG-CE2 4.12Å; L661-M745 HydrophobicContact CD2-CE 3.49Å; L661-M745 VanDerWaalsContact CD2-CE 3.49Å; L661-M745 HydrophobicContact CD2-SD 4.49Å; L661-W750 PolarHBondContact N-O 3.45Å; L661-L756 HydrophobicContact CB-CD1 4.21Å; L661-L756 HydrophobicContact CB-CD2 4.03Å; L661-L756 HydrophobicContact CD2-CD1 4.34Å; L661-F760 HydrophobicContact CD1-CE1 4.31Å; L661-F760 HydrophobicContact CD1-CZ 4.02Å; L661-F760 HydrophobicContact CD2-CE1 4.19Å; L661-F760 HydrophobicContact CD2-CZ 4.23Å; L661-F760 HydrophobicContact CG-CZ 4.48Å
662P79.9Confident81.6Confident39 Ų3946.3 Ų46.325%0.25324%0.24SC..Hα-helixtrans-61.5-25.5176.1-24.635.8000114.4G660 K666 W750G660-P662 VanDerWaalsContact C-CD 3.43Å; G660-P662 VanDerWaalsContact C-N 3.33Å; P662-K666 WeakPolarHBondContact O-CG 3.03Å; P662-W750 HydrophobicContact CG-CB 4.28Å; P662-W750 HydrophobicContact CG-CD2 4.5Å; P662-W750 HydrophobicContact CG-CE3 3.82Å
663H83.8Confident81.6Confident62 Ų6247.3 Ų47.329%0.28725%0.248SC..Hα-helixtrans-75.7-44.9172.4-17279.8000110.7L656 K659 G660 L661 L665 K666 S667L656-H663 PolarHBondContact O-CD2 3.2Å; K659-H663 HydrophobicContact CB-CB 3.65Å; K659-H663 WeakPolarHBondContact CD-NE2 2.97Å; K659-H663 WeakPolarHBondContact O-CB 3.44Å; G660-H663 WeakPolarHBondContact O-CB 3.07Å; G660-H663 PolarHBondContact O-N 3.17Å; L661-H663 PolarHBondContact O-N 3.22Å; H663-L665 VanDerWaalsContact C-N 3.31Å; H663-L665 PolarHBondContact O-N 3.49Å; H663-K666 CarbonylContact O-C 3.57Å; H663-K666 PolarHBondContact O-N 2.83Å; H663-S667 PolarHBondContact CD2-OG 3.41Å; H663-S667 PolarHBondContact CE1-OG 3.21Å; H663-S667 PolarHBondContact NE2-OG 3.11Å; H663-S667 WeakPolarHBondContact O-CB 3.17Å; H663-S667 PolarHBondContact O-N 2.88Å; H663-S667 PolarHBondContact O-OG 3.03Å; H663-S667 VanDerWaalsContact O-OG 3.06Å
664V80.6Confident81.8Confident10 Ų1047.1 Ų47.16%0.06125%0.247CC..Hα-helixtrans-55-45.6175.5-176.40000111.7V657 G660 L661 K666 S667 F730 L786V657-V664 HydrophobicContact CB-CG2 4.11Å; V657-V664 HydrophobicContact CG1-CG2 4.44Å; V657-V664 HydrophobicContact CG2-CG2 3.74Å; G660-V664 PolarHBondContact O-N 3.48Å; L661-V664 WeakPolarHBondContact O-CB 2.92Å; L661-V664 PolarHBondContact O-N 3.49Å; L661-V664 VanDerWaalsContact O-N 3.11Å; V664-K666 PolarHBondContact O-N 3.29Å; V664-S667 PolarHBondContact O-N 3.16Å; V664-F730 HydrophobicContact CG1-CZ 4.47Å; V664-L786 HydrophobicContact CG1-CD2 4.41Å
665L80.4Confident81.9Confident31 Ų3144.3 Ų44.316%0.16224%0.235CC..THydrogen-bonded Turntrans-62.9-24.2177.8-65.1-179.9000113.5L661 H663 V668 F730 V733 F742L661-L665 HydrophobicContact CD1-CD1 4.3Å; L661-L665 HydrophobicContact CD1-CD2 4.08Å; L661-L665 HydrophobicContact CD1-CG 3.89Å; L661-L665 HydrophobicContact CG-CD1 4.28Å; L661-L665 HydrophobicContact CG-CG 4.32Å; L661-L665 WeakPolarHBondContact O-CG 3.12Å; L661-L665 PolarHBondContact O-N 2.99Å; H663-L665 VanDerWaalsContact C-N 3.31Å; H663-L665 PolarHBondContact O-N 3.49Å; L665-V668 WeakPolarHBondContact O-CG2 3.19Å; L665-F730 HydrophobicContact CD2-CD1 3.34Å; L665-F730 HydrophobicContact CD2-CE1 3.73Å; L665-F730 HydrophobicContact CD2-CG 4.32Å; L665-V733 HydrophobicContact CD1-CG2 4.11Å; L665-V733 HydrophobicContact CD2-CG2 4Å; L665-F742 HydrophobicContact CD1-CD2 4.31Å; L665-F742 HydrophobicContact CD1-CE2 3.61Å; L665-F742 HydrophobicContact CD1-CZ 3.9Å
666K83.1Confident81.8Confident178 Ų17846 Ų4677%0.77424%0.237SC*.THydrogen-bonded Turntrans-93.4-24.3176.5-70.8179.1179.7-173.90113P662 H663 V664 V668P662-K666 WeakPolarHBondContact O-CG 3.03Å; H663-K666 CarbonylContact O-C 3.57Å; H663-K666 PolarHBondContact O-N 2.83Å; V664-K666 PolarHBondContact O-N 3.29Å; K666-V668 PolarHBondContact O-N 2.92Å
667S84.7Confident81.8Confident22 Ų2247.8 Ų47.815%0.15425%0.247CC..  trans-99.635-172.6-59.50000112.7H663 V664 D669 A670 L671H663-S667 PolarHBondContact CD2-OG 3.41Å; H663-S667 PolarHBondContact CE1-OG 3.21Å; H663-S667 PolarHBondContact NE2-OG 3.11Å; H663-S667 WeakPolarHBondContact O-CB 3.17Å; H663-S667 PolarHBondContact O-N 2.88Å; H663-S667 PolarHBondContact O-OG 3.03Å; H663-S667 VanDerWaalsContact O-OG 3.06Å; V664-S667 PolarHBondContact O-N 3.16Å; S667-D669 VanDerWaalsContact C-N 3.3Å; S667-D669 PolarHBondContact O-N 3.21Å; S667-A670 PolarHBondContact O-N 2.94Å; S667-L671 PolarHBondContact O-N 2.89Å
668V82.4Confident81.8Confident16 Ų1647.5 Ų47.510%0.09725%0.246CC..Hα-helixtrans-58.4-38.8-175.5-176.70000112.4L665 K666 L671 N672 L726 K727 F730L665-V668 WeakPolarHBondContact O-CG2 3.19Å; K666-V668 PolarHBondContact O-N 2.92Å; V668-L671 PolarHBondContact O-N 3.46Å; V668-N672 WeakPolarHBondContact O-CB 3.38Å; V668-N672 PolarHBondContact O-N 3.22Å; V668-L726 HydrophobicContact CG1-CB 3.87Å; V668-K727 HydrophobicContact CG1-CG 3.96Å; V668-F730 HydrophobicContact CB-CD2 4.24Å; V668-F730 HydrophobicContact CG1-CD2 3.78Å; V668-F730 HydrophobicContact CG1-CE2 4.38Å; V668-F730 HydrophobicContact CG2-CB 3.89Å; V668-F730 HydrophobicContact CG2-CD2 3.52Å; V668-F730 HydrophobicContact CG2-CE2 4.32Å; V668-F730 HydrophobicContact CG2-CG 3.94Å
669D84.1Confident82.1Confident92 Ų9246.9 Ų46.949%0.49223%0.233SC..Hα-helixtrans-69.2-41.9178.4-66.1-59.5000112.1S667 L671 N672 E673 K727S667-D669 VanDerWaalsContact C-N 3.3Å; S667-D669 PolarHBondContact O-N 3.21Å; D669-L671 VanDerWaalsContact C-N 3.26Å; D669-L671 PolarHBondContact O-N 3.25Å; D669-N672 WeakPolarHBondContact O-CB 3Å; D669-N672 PolarHBondContact O-N 3.48Å; D669-N672 VanDerWaalsContact O-N 3.16Å; D669-E673 PolarHBondContact O-N 3Å; D669-K727 WeakPolarHBondContact OD1-CE 3.06Å; D669-K727 IonicContact OD1-NZ 3.81Å; D669-K727 PolarHBondContact OD1-NZ 3.25Å
670A85.5Confident82.1Confident35 Ų3544.6 Ų44.629%0.28923%0.233SC..Hα-helixtrans-64-33.3174.500000112.1L656 S667 V674L656-A670 HydrophobicContact CD1-CB 4.35Å; L656-A670 HydrophobicContact CD2-CB 3.85Å; S667-A670 PolarHBondContact O-N 2.94Å; A670-V674 PolarHBondContact O-N 2.05Å
671L81.9Confident82.5Confident4 Ų447.8 Ų47.82%0.02125%0.246CC..Hα-helixtrans-70.9-39.9173.2-179.862000112.3L653 S667 V668 D669 E673 V674 F675 L726 F730 L786L653-L671 HydrophobicContact CD1-CD1 3.28Å; S667-L671 PolarHBondContact O-N 2.89Å; V668-L671 PolarHBondContact O-N 3.46Å; D669-L671 VanDerWaalsContact C-N 3.26Å; D669-L671 PolarHBondContact O-N 3.25Å; L671-E673 VanDerWaalsContact C-N 3.3Å; L671-E673 PolarHBondContact O-N 3.3Å; L671-V674 PolarHBondContact O-N 3.37Å; L671-F675 HydrophobicContact CD1-CD2 3.84Å; L671-F675 HydrophobicContact CD1-CE2 3.63Å; L671-F675 HydrophobicContact CD2-CE2 4.22Å; L671-F675 HydrophobicContact CG-CD2 3.9Å; L671-F675 HydrophobicContact CG-CE2 3.87Å; L671-F675 WeakPolarHBondContact O-CD2 3.36Å; L671-F675 PolarHBondContact O-N 3.19Å; L671-F675 VanDerWaalsContact O-N 3.11Å; L671-L726 HydrophobicContact CD2-CD2 4.07Å; L671-L726 HydrophobicContact CG-CD1 4.44Å; L671-F730 HydrophobicContact CD2-CE2 3.89Å; L671-F730 HydrophobicContact CD2-CZ 4.07Å; L671-L786 HydrophobicContact CD1-CD1 3.51Å; L671-L786 HydrophobicContact CD2-CD1 3.8Å; L671-L786 HydrophobicContact CD2-CD2 3.52Å; L671-L786 HydrophobicContact CD2-CG 4.26Å; L671-L786 HydrophobicContact CG-CD1 4.28Å
672N82.4Confident82.8Confident36 Ų3647.4 Ų47.419%0.19324%0.244CC..Hα-helixtrans-59.9-40173.3175.756.7000111.5V668 D669 F675 Y676 G723 L726V668-N672 WeakPolarHBondContact O-CB 3.38Å; V668-N672 PolarHBondContact O-N 3.22Å; D669-N672 WeakPolarHBondContact O-CB 3Å; D669-N672 PolarHBondContact O-N 3.48Å; D669-N672 VanDerWaalsContact O-N 3.16Å; N672-F675 PolarHBondContact O-N 3.14Å; N672-Y676 WeakPolarHBondContact O-CB 3.34Å; N672-Y676 PolarHBondContact O-N 3.33Å; N672-G723 VanDerWaalsContact CG-CA 3.47Å; N672-G723 WeakPolarHBondContact OD1-CA 3.48Å; N672-G723 PolarHBondContact OD1-N 2.97Å; N672-L726 HydrophobicContact CB-CD1 3.76Å
673E84Confident83Confident108 Ų10849.2 Ų49.251%0.50525%0.249SC..Hα-helixtrans-57.6-48.6172.4-70.9-177.3176.900112.3R652 D669 L671 F675 Y676 D677R652-E673 IonicContact NH2-OE2 2.74Å; R652-E673 PolarHBondContact NH2-OE2 3.12Å; D669-E673 PolarHBondContact O-N 3Å; L671-E673 VanDerWaalsContact C-N 3.3Å; L671-E673 PolarHBondContact O-N 3.3Å; E673-F675 VanDerWaalsContact C-N 3.34Å; E673-F675 PolarHBondContact O-N 3.22Å; E673-Y676 PolarHBondContact O-N 2.04Å; E673-D677 WeakPolarHBondContact O-CB 3.48Å; E673-D677 VanDerWaalsContact O-CG 3.31Å; E673-D677 PolarHBondContact O-N 3.43Å
674V82.8Confident83.2Confident0 Ų048.8 Ų48.80%025%0.249CC..Hα-helixtrans-61.1-43.1-178.9176.70000111.5M649 R652 L653 L656 A670 L671 S678M649-V674 HydrophobicContact CB-CG1 4.24Å; R652-V674 HydrophobicContact CB-CG2 3.87Å; L653-V674 HydrophobicContact CB-CG1 4.46Å; L653-V674 HydrophobicContact CD1-CB 4.4Å; L653-V674 HydrophobicContact CD1-CG1 3.96Å; L656-V674 HydrophobicContact CD1-CG2 4.17Å; A670-V674 PolarHBondContact O-N 2.05Å; L671-V674 PolarHBondContact O-N 3.37Å; V674-S678 PolarHBondContact O-N 2.88Å
675F79.6Confident83.6Confident2 Ų248.3 Ų48.31%0.00925%0.246CC..Hα-helixtrans-73.3-33.2176.7-77.3-66.1000113.2L671 N672 E673 S678 C679 L705 V708 L722 L726 L782 L786L671-F675 HydrophobicContact CD1-CD2 3.84Å; L671-F675 HydrophobicContact CD1-CE2 3.63Å; L671-F675 HydrophobicContact CD2-CE2 4.22Å; L671-F675 HydrophobicContact CG-CD2 3.9Å; L671-F675 HydrophobicContact CG-CE2 3.87Å; L671-F675 WeakPolarHBondContact O-CD2 3.36Å; L671-F675 PolarHBondContact O-N 3.19Å; L671-F675 VanDerWaalsContact O-N 3.11Å; N672-F675 PolarHBondContact O-N 3.14Å; E673-F675 VanDerWaalsContact C-N 3.34Å; E673-F675 PolarHBondContact O-N 3.22Å; F675-S678 WeakPolarHBondContact O-CB 3.45Å; F675-S678 PolarHBondContact O-N 3.35Å; F675-C679 PolarHBondContact O-N 3.38Å; F675-C679 PolarHBondContact O-SG 3.15Å; F675-L705 HydrophobicContact CD1-CD1 4.03Å; F675-L705 HydrophobicContact CE1-CD1 4.02Å; F675-V708 HydrophobicContact CD1-CG1 4.02Å; F675-V708 HydrophobicContact CE1-CB 4.49Å; F675-V708 HydrophobicContact CE1-CG1 4.13Å; F675-V708 HydrophobicContact CE1-CG2 4.37Å; F675-L722 HydrophobicContact CB-CD2 3.4Å; F675-L722 HydrophobicContact CB-CG 4.16Å; F675-L726 HydrophobicContact CD2-CD1 4.13Å; F675-L726 HydrophobicContact CD2-CD2 4.44Å; F675-L726 HydrophobicContact CE2-CD2 4.36Å; F675-L782 HydrophobicContact CD1-CD1 4.11Å; F675-L782 HydrophobicContact CD2-CD1 4.16Å; F675-L782 HydrophobicContact CE1-CD1 3.91Å; F675-L782 HydrophobicContact CE2-CD1 3.93Å; F675-L782 HydrophobicContact CG-CD1 4.24Å; F675-L782 HydrophobicContact CZ-CD1 3.81Å; F675-L786 HydrophobicContact CE2-CB 4.2Å; F675-L786 HydrophobicContact CE2-CD1 4.03Å; F675-L786 HydrophobicContact CZ-CB 3.91Å; F675-L786 HydrophobicContact CZ-CD1 4.17Å
676Y82.1Confident83.8Confident152 Ų15247.6 Ų47.660%0.59624%0.242SC*.Hα-helixtrans-67.2-43.2175.2-174-90.1000111.2N672 E673 S678 C679 A680N672-Y676 WeakPolarHBondContact O-CB 3.34Å; N672-Y676 PolarHBondContact O-N 3.33Å; E673-Y676 PolarHBondContact O-N 2.04Å; Y676-S678 VanDerWaalsContact C-N 3.26Å; Y676-S678 PolarHBondContact O-N 3.08Å; Y676-C679 WeakPolarHBondContact O-CB 3.37Å; Y676-C679 PolarHBondContact O-N 3.1Å; Y676-A680 WeakPolarHBondContact O-CB 3.31Å; Y676-A680 PolarHBondContact O-N 2.92Å
677D81.3Confident83.9Confident59 Ų5946.1 Ų46.132%0.31623%0.232SC..Hα-helixtrans-59.8-39171.3-71.6-25.1000110.7M649 R652 E673 A680 K681M649-D677 VanDerWaalsContact CE-C 3.43Å; M649-D677 HydrophobicContact CE-CB 3.71Å; M649-D677 WeakPolarHBondContact CE-O 3.45Å; R652-D677 IonicContact CZ-OD2 2.71Å; R652-D677 IonicContact NH1-OD2 2.68Å; R652-D677 PolarHBondContact NH1-OD2 2.93Å; E673-D677 WeakPolarHBondContact O-CB 3.48Å; E673-D677 VanDerWaalsContact O-CG 3.31Å; E673-D677 PolarHBondContact O-N 3.43Å; D677-A680 PolarHBondContact O-N 3.43Å; D677-K681 WeakPolarHBondContact O-CG 3.15Å; D677-K681 PolarHBondContact O-N 3.35Å
678S80.3Confident84.2Confident1 Ų146 Ų461%0.00723%0.231CC..Hα-helixtrans-62.4-48.8173.3-1780000112.2V674 F675 Y676 A680 K681 M682 L705V674-S678 PolarHBondContact O-N 2.88Å; F675-S678 WeakPolarHBondContact O-CB 3.45Å; F675-S678 PolarHBondContact O-N 3.35Å; Y676-S678 VanDerWaalsContact C-N 3.26Å; Y676-S678 PolarHBondContact O-N 3.08Å; S678-A680 VanDerWaalsContact C-N 3.29Å; S678-A680 PolarHBondContact O-N 2.84Å; S678-K681 PolarHBondContact O-N 2.87Å; S678-K681 VanDerWaalsContact O-N 3.16Å; S678-M682 PolarHBondContact O-N 2.98Å; S678-L705 WeakPolarHBondContact OG-CG 3.19Å
679C82.8Confident84.2Confident32 Ų3245.3 Ų45.322%0.21623%0.227CC..Hα-helixtrans-53.7-47.6172.6-69.60000111.4F675 Y676 K681 M682 C713 L722F675-C679 PolarHBondContact O-N 3.38Å; F675-C679 PolarHBondContact O-SG 3.15Å; Y676-C679 WeakPolarHBondContact O-CB 3.37Å; Y676-C679 PolarHBondContact O-N 3.1Å; C679-K681 VanDerWaalsContact C-N 3.31Å; C679-K681 PolarHBondContact O-N 3.19Å; C679-M682 WeakPolarHBondContact O-CB 3.26Å; C679-M682 PolarHBondContact O-N 3.36Å; C679-C713 WeakPolarHBondContact CA-SG 3.25Å; C679-C713 HydrophobicContact CB-CB 3.55Å; C679-C713 WeakPolarHBondContact CB-SG 3.23Å; C679-C713 WeakPolarHBondContact SG-CB 3.35Å; C679-C713 CovalentContact SG-SG 2.02Å; C679-C713 PolarHBondContact SG-SG 2.92Å; C679-L722 VanDerWaalsContact SG-CD2 3.56Å
680A83.6Confident84.2Confident49 Ų4943.6 Ų43.641%0.40522%0.217SC..Hα-helixtrans-62.6-36-179.200000112.2Y676 D677 S678 H683Y676-A680 WeakPolarHBondContact O-CB 3.31Å; Y676-A680 PolarHBondContact O-N 2.92Å; D677-A680 PolarHBondContact O-N 3.43Å; S678-A680 VanDerWaalsContact C-N 3.29Å; S678-A680 PolarHBondContact O-N 2.84Å; A680-H683 PolarHBondContact O-CE1 3.05Å; A680-H683 VanDerWaalsContact O-CE1 3.27Å; A680-H683 PolarHBondContact O-ND1 3.28Å
681K87Confident83.9Confident68 Ų6847.2 Ų47.230%0.29624%0.236SC..Hα-helixtrans-85.5-14.8177.6-65.4-166.4-162.7173.20114.6H645 F646 M649 D677 S678 C679 H683 L684 F685H645-K681 WeakPolarHBondContact O-CD 3.01Å; H645-K681 WeakPolarHBondContact O-CE 3.4Å; H645-K681 PolarHBondContact O-NZ 3.36Å; F646-K681 HydrophobicContact CD1-CB 4.23Å; F646-K681 HydrophobicContact CE1-CB 4.06Å; M649-K681 HydrophobicContact CE-CB 4.43Å; M649-K681 HydrophobicContact CE-CD 3.54Å; M649-K681 HydrophobicContact CE-CG 4.09Å; D677-K681 WeakPolarHBondContact O-CG 3.15Å; D677-K681 PolarHBondContact O-N 3.35Å; S678-K681 PolarHBondContact O-N 2.87Å; S678-K681 VanDerWaalsContact O-N 3.16Å; C679-K681 VanDerWaalsContact C-N 3.31Å; C679-K681 PolarHBondContact O-N 3.19Å; K681-H683 PolarHBondContact O-N 3.11Å; K681-H683 VanDerWaalsContact O-N 3.16Å; K681-L684 VanDerWaalsContact O-CB 3.3Å; K681-L684 WeakPolarHBondContact O-CB 3.16Å; K681-L684 PolarHBondContact O-N 3.47Å; K681-F685 PolarHBondContact O-N 2.83Å
682M86.8Confident83.8Confident0 Ų049.8 Ų49.80%025%0.254CS..Hα-helixtrans-56.7-35.6-177.5-175.55065.700113.2F646 S678 C679 L684 F685 D686 I706 L710 F810F646-M682 HydrophobicContact CE1-CE 4.06Å; F646-M682 HydrophobicContact CE2-CE 4.34Å; F646-M682 HydrophobicContact CZ-CE 3.44Å; F646-M682 VanDerWaalsContact CZ-CE 3.44Å; F646-M682 HydrophobicContact CZ-SD 4.09Å; S678-M682 PolarHBondContact O-N 2.98Å; C679-M682 WeakPolarHBondContact O-CB 3.26Å; C679-M682 PolarHBondContact O-N 3.36Å; M682-L684 VanDerWaalsContact C-N 3.25Å; M682-L684 PolarHBondContact O-N 3.26Å; M682-F685 WeakPolarHBondContact O-CB 3.19Å; M682-F685 PolarHBondContact O-N 3.48Å; M682-F685 HydrophobicContact SD-CB 4.23Å; M682-F685 HydrophobicContact SD-CD1 4.1Å; M682-F685 HydrophobicContact SD-CG 4.46Å; M682-D686 PolarHBondContact O-N 3.06Å; M682-I706 HydrophobicContact CE-CB 4.04Å; M682-I706 HydrophobicContact CE-CG1 4.15Å; M682-I706 HydrophobicContact CE-CG2 3.87Å; M682-I706 HydrophobicContact SD-CG2 4.36Å; M682-L710 HydrophobicContact SD-CD2 4.2Å; M682-L710 HydrophobicContact SD-CG 4.34Å; M682-F810 HydrophobicContact CB-CZ 4.39Å; M682-F810 HydrophobicContact CG-CE1 3.94Å; M682-F810 HydrophobicContact CG-CE2 4.14Å; M682-F810 HydrophobicContact CG-CZ 3.37Å; M682-F810 HydrophobicContact SD-CZ 4.45Å
683H84.5Confident83.5Confident77 Ų7748.9 Ų48.936%0.35625%0.249SC..Hα-helixtrans-65.9-23.917685-86.3000114A680 K681 R687A680-H683 PolarHBondContact O-CE1 3.05Å; A680-H683 VanDerWaalsContact O-CE1 3.27Å; A680-H683 PolarHBondContact O-ND1 3.28Å; K681-H683 PolarHBondContact O-N 3.11Å; K681-H683 VanDerWaalsContact O-N 3.16Å; H683-R687 VanDerWaalsContact O-CB 3.3Å; H683-R687 WeakPolarHBondContact O-CB 3.37Å; H683-R687 PolarHBondContact O-N 2.83Å
684L88Confident83.1Confident52 Ų5250 Ų5027%0.27226%0.259SS..Hα-helixtrans-76.2-43.9174.4-59.8174.5000110.3H645 K681 M682 R687 C688H645-L684 HydrophobicContact CB-CB 4.48Å; K681-L684 VanDerWaalsContact O-CB 3.3Å; K681-L684 WeakPolarHBondContact O-CB 3.16Å; K681-L684 PolarHBondContact O-N 3.47Å; M682-L684 VanDerWaalsContact C-N 3.25Å; M682-L684 PolarHBondContact O-N 3.26Å; L684-R687 PolarHBondContact O-N 3.19Å; L684-C688 WeakPolarHBondContact O-CB 3.42Å; L684-C688 PolarHBondContact O-N 3.15Å
685F88.3Confident82.6Confident0 Ų059.1 Ų59.10%029%0.294CS..Hα-helixtrans-57.3-52173.5-179.4-89.5000110.9C642 A643 F646 K681 M682 R687 C688 W689 I701 I706 L806C642-F685 HydrophobicContact CB-CD2 3.81Å; C642-F685 HydrophobicContact CB-CE2 3.71Å; C642-F685 HydrophobicContact CB-CZ 4.46Å; C642-F685 WeakPolarHBondContact O-CD2 3.22Å; A643-F685 HydrophobicContact CB-CE2 4.36Å; F646-F685 HydrophobicContact CD2-CD2 4.33Å; F646-F685 HydrophobicContact CE2-CB 3.56Å; F646-F685 AromaticContact CE2-CD2 3.59Å; F646-F685 HydrophobicContact CE2-CD2 3.59Å; F646-F685 AromaticContact CE2-CG 3.68Å; F646-F685 HydrophobicContact CE2-CG 3.68Å; F646-F685 HydrophobicContact CZ-CB 3.74Å; F646-F685 HydrophobicContact CZ-CG 4.2Å; K681-F685 PolarHBondContact O-N 2.83Å; M682-F685 WeakPolarHBondContact O-CB 3.19Å; M682-F685 PolarHBondContact O-N 3.48Å; M682-F685 HydrophobicContact SD-CB 4.23Å; M682-F685 HydrophobicContact SD-CD1 4.1Å; M682-F685 HydrophobicContact SD-CG 4.46Å; F685-R687 VanDerWaalsContact C-N 3.35Å; F685-R687 PolarHBondContact O-N 2.75Å; F685-C688 PolarHBondContact O-N 3.14Å; F685-W689 HydrophobicContact CE1-CB 4.32Å; F685-W689 HydrophobicContact CE1-CG 4.5Å; F685-W689 HydrophobicContact CZ-CE3 4.29Å; F685-W689 VanDerWaalsContact O-CB 3.22Å; F685-W689 WeakPolarHBondContact O-CB 3.31Å; F685-W689 PolarHBondContact O-N 3.02Å; F685-I701 HydrophobicContact CE1-CD1 4.48Å; F685-I701 HydrophobicContact CE2-CD1 4.26Å; F685-I701 HydrophobicContact CZ-CD1 3.53Å; F685-I706 HydrophobicContact CD1-CG2 4.37Å; F685-I706 HydrophobicContact CD2-CD1 4.11Å; F685-I706 HydrophobicContact CE1-CD1 4.34Å; F685-I706 HydrophobicContact CE1-CG2 4.11Å; F685-I706 HydrophobicContact CE2-CD1 3.7Å; F685-I706 HydrophobicContact CZ-CD1 3.86Å; F685-L806 HydrophobicContact CD1-CD2 4.05Å; F685-L806 HydrophobicContact CE1-CD1 3.97Å; F685-L806 HydrophobicContact CE1-CD2 3.73Å
686D83.9Confident82.4Confident17 Ų1762.4 Ų62.49%0.09133%0.329CS..Hα-helixtrans-56.9-45178.1-176.477.1000112.6M682 W689 N690 L806 F810M682-D686 PolarHBondContact O-N 3.06Å; D686-W689 PolarHBondContact O-N 2.81Å; D686-N690 WeakPolarHBondContact O-CB 3.21Å; D686-N690 PolarHBondContact O-N 3.13Å; D686-N690 PolarHBondContact O-ND2 3.18Å; D686-N690 PolarHBondContact OD1-ND2 3.48Å; D686-N690 PolarHBondContact OD2-ND2 3.09Å; D686-L806 VanDerWaalsContact OD1-O 3.08Å; D686-F810 HydrophobicContact CB-CD2 3.66Å; D686-F810 HydrophobicContact CB-CE2 3.68Å; D686-F810 VanDerWaalsContact CG-CD2 3.42Å
687R87.1Confident82.4Confident147 Ų14756.5 Ų56.556%0.55531%0.31SS*.Hα-helixtrans-64.9-44.1177.9-173.6-175.1-62.1155.43.2112.4H683 L684 F685 W689 T691H683-R687 VanDerWaalsContact O-CB 3.3Å; H683-R687 WeakPolarHBondContact O-CB 3.37Å; H683-R687 PolarHBondContact O-N 2.83Å; L684-R687 PolarHBondContact O-N 3.19Å; F685-R687 VanDerWaalsContact C-N 3.35Å; F685-R687 PolarHBondContact O-N 2.75Å; R687-W689 VanDerWaalsContact C-N 3.28Å; R687-W689 PolarHBondContact O-N 3.04Å; R687-T691 VanDerWaalsContact O-CG2 3.31Å; R687-T691 WeakPolarHBondContact O-CG2 3.45Å; R687-T691 PolarHBondContact O-N 2.82Å; R687-T691 PolarHBondContact O-OG1 3.05Å
688C89.9Confident82.6Confident20 Ų2060.2 Ų60.214%0.13533%0.329CS..Hα-helixtrans-61.3-41.5175.2176.50000110.9C642 L684 F685 T691 S692C642-C688 WeakPolarHBondContact CA-SG 3.3Å; C642-C688 HydrophobicContact CB-CB 3.68Å; C642-C688 WeakPolarHBondContact CB-SG 3.5Å; C642-C688 WeakPolarHBondContact SG-CB 3.38Å; C642-C688 CovalentContact SG-SG 2.05Å; C642-C688 PolarHBondContact SG-SG 3.38Å; L684-C688 WeakPolarHBondContact O-CB 3.42Å; L684-C688 PolarHBondContact O-N 3.15Å; F685-C688 PolarHBondContact O-N 3.14Å; C688-T691 PolarHBondContact O-OG1 3.41Å; C688-T691 VanDerWaalsContact O-OG1 3.04Å; C688-S692 WeakPolarHBondContact O-CB 3.45Å; C688-S692 PolarHBondContact O-OG 3.33Å
689W83.4Confident82.7Confident1 Ų160.2 Ų60.20%0.00433%0.329CS..Hα-helixtrans-68.7-57.6-176.9-172.8-101.7000113L638 V639 F685 D686 R687 T691 S692 I693 I701 F803L638-W689 HydrophobicContact CG-CZ3 4.41Å; V639-W689 HydrophobicContact CB-CZ3 4.4Å; V639-W689 HydrophobicContact CG2-CH2 3.73Å; V639-W689 HydrophobicContact CG2-CZ3 3.55Å; F685-W689 HydrophobicContact CE1-CB 4.32Å; F685-W689 HydrophobicContact CE1-CG 4.5Å; F685-W689 HydrophobicContact CZ-CE3 4.29Å; F685-W689 VanDerWaalsContact O-CB 3.22Å; F685-W689 WeakPolarHBondContact O-CB 3.31Å; F685-W689 PolarHBondContact O-N 3.02Å; D686-W689 PolarHBondContact O-N 2.81Å; R687-W689 VanDerWaalsContact C-N 3.28Å; R687-W689 PolarHBondContact O-N 3.04Å; W689-T691 PolarHBondContact O-N 2.04Å; W689-T691 VanDerWaalsContact O-N 3.17Å; W689-S692 PolarHBondContact O-N 2.92Å; W689-I693 HydrophobicContact CH2-CB 4.37Å; W689-I693 HydrophobicContact CH2-CD1 3.07Å; W689-I693 HydrophobicContact CH2-CG1 4.29Å; W689-I693 HydrophobicContact CH2-CG2 4.37Å; W689-I693 HydrophobicContact CZ2-CB 3.94Å; W689-I693 HydrophobicContact CZ2-CD1 3.47Å; W689-I693 VanDerWaalsContact CZ2-CD1 3.47Å; W689-I693 HydrophobicContact CZ2-CG1 4.3Å; W689-I693 HydrophobicContact CZ2-CG2 3.59Å; W689-I693 HydrophobicContact CZ3-CD1 3.7Å; W689-I693 PolarHBondContact O-N 2.97Å; W689-I701 HydrophobicContact CZ3-CD1 4.36Å; W689-F803 HydrophobicContact CD2-CD1 4.37Å; W689-F803 HydrophobicContact CD2-CE1 4.34Å; W689-F803 AromaticContact CE2-CD1 3.38Å; W689-F803 AromaticContact CE2-CE1 3.59Å; W689-F803 AromaticContact CE2-CG 3.84Å; W689-F803 AromaticContact CH2-CD1 3.91Å; W689-F803 HydrophobicContact CH2-CD1 3.91Å; W689-F803 HydrophobicContact CH2-CD2 4.18Å; W689-F803 AromaticContact CH2-CE1 3.3Å; W689-F803 HydrophobicContact CH2-CE1 3.3Å; W689-F803 AromaticContact CH2-CE2 3.54Å; W689-F803 HydrophobicContact CH2-CE2 3.54Å; W689-F803 HydrophobicContact CH2-CG 4.34Å; W689-F803 AromaticContact CH2-CZ 3.09Å; W689-F803 HydrophobicContact CH2-CZ 3.09Å; W689-F803 HydrophobicContact CZ2-CB 4.34Å; W689-F803 AromaticContact CZ2-CD1 3.14Å; W689-F803 HydrophobicContact CZ2-CD1 3.14Å; W689-F803 AromaticContact CZ2-CD2 3.48Å; W689-F803 HydrophobicContact CZ2-CD2 3.48Å; W689-F803 VanDerWaalsContact CZ2-CD2 3.48Å; W689-F803 AromaticContact CZ2-CE1 3.06Å; W689-F803 HydrophobicContact CZ2-CE1 3.06Å; W689-F803 AromaticContact CZ2-CE2 3.32Å; W689-F803 HydrophobicContact CZ2-CE2 3.32Å; W689-F803 AromaticContact CZ2-CG 3.39Å; W689-F803 HydrophobicContact CZ2-CG 3.39Å; W689-F803 AromaticContact CZ2-CZ 3.16Å; W689-F803 HydrophobicContact CZ2-CZ 3.16Å; W689-F803 HydrophobicContact CZ3-CE1 4.09Å; W689-F803 HydrophobicContact CZ3-CZ 4.11Å; W689-F803 AromaticContact NE1-CD1 3.54Å; W689-F803 AromaticContact NE1-CG 3.86Å
690N82.4Confident82.9Confident56 Ų5661.1 Ų61.130%0.29933%0.33SS..Hα-helixtrans-66.5-19.7-173.2-74.7-33.1000113.3D686D686-N690 WeakPolarHBondContact O-CB 3.21Å; D686-N690 PolarHBondContact O-N 3.13Å; D686-N690 PolarHBondContact O-ND2 3.18Å; D686-N690 PolarHBondContact OD1-ND2 3.48Å; D686-N690 PolarHBondContact OD2-ND2 3.09Å
691T80.6Confident82.9Confident111 Ų11158.8 Ų58.868%0.68131%0.311SS*.THydrogen-bonded Turntrans-81.2-14.117448.90000114R687 C688 W689R687-T691 VanDerWaalsContact O-CG2 3.31Å; R687-T691 WeakPolarHBondContact O-CG2 3.45Å; R687-T691 PolarHBondContact O-N 2.82Å; R687-T691 PolarHBondContact O-OG1 3.05Å; C688-T691 PolarHBondContact O-OG1 3.41Å; C688-T691 VanDerWaalsContact O-OG1 3.04Å; W689-T691 PolarHBondContact O-N 2.04Å; W689-T691 VanDerWaalsContact O-N 3.17Å
692S78.9Confident82.5Confident57 Ų5755.6 Ų55.640%0.39930%0.298SS..THydrogen-bonded Turntrans-127.8-15.4-158.2-54.60000116.1L638 C688 W689L638-S692 VanDerWaalsContact CD1-CB 3.45Å; L638-S692 WeakPolarHBondContact CD2-O 3.25Å; C688-S692 WeakPolarHBondContact O-CB 3.45Å; C688-S692 PolarHBondContact O-OG 3.33Å; W689-S692 PolarHBondContact O-N 2.92Å
693I75.6Confident82.2Confident17 Ų1755.7 Ų55.79%0.08730%0.298CS..SBendtrans-119.7134.4-179.4-106.8159000116.5E635 L638 W689 R807E635-I693 HydrophobicContact CB-CD1 3.81Å; E635-I693 HydrophobicContact CG-CD1 3.7Å; E635-I693 HydrophobicContact CG-CG1 3.98Å; L638-I693 HydrophobicContact CD2-CB 4.14Å; L638-I693 HydrophobicContact CD2-CD1 3.49Å; L638-I693 VanDerWaalsContact CD2-CD1 3.49Å; L638-I693 HydrophobicContact CD2-CG1 3.56Å; L638-I693 HydrophobicContact CG-CD1 4.29Å; W689-I693 HydrophobicContact CH2-CB 4.37Å; W689-I693 HydrophobicContact CH2-CD1 3.07Å; W689-I693 HydrophobicContact CH2-CG1 4.29Å; W689-I693 HydrophobicContact CH2-CG2 4.37Å; W689-I693 HydrophobicContact CZ2-CB 3.94Å; W689-I693 HydrophobicContact CZ2-CD1 3.47Å; W689-I693 VanDerWaalsContact CZ2-CD1 3.47Å; W689-I693 HydrophobicContact CZ2-CG1 4.3Å; W689-I693 HydrophobicContact CZ2-CG2 3.59Å; W689-I693 HydrophobicContact CZ3-CD1 3.7Å; W689-I693 PolarHBondContact O-N 2.97Å; I693-R807 PolarHBondContact O-NH2 2.96Å
694N76.9Confident81.8Confident133 Ų13352.3 Ų52.371%0.71128%0.283SS*.  trans-58.8144.2-178.2-79.9-39.4000113.7G696 S697 R807N694-G696 VanDerWaalsContact C-N 3.25Å; N694-G696 PolarHBondContact O-N 3.37Å; N694-G696 VanDerWaalsContact O-N 3.13Å; N694-S697 PolarHBondContact O-N 3.13Å; N694-R807 VanDerWaalsContact C-NH2 3.32Å; N694-R807 PolarHBondContact O-NH2 3.18Å
695Y70.8Confident81.3Confident191 Ų19149.9 Ų49.975%0.74927%0.271SS*.THydrogen-bonded Turntrans-61.7-27.4-171.2-88.4-93.3000115.1R807Y695-R807 PolarHBondContact O-NH1 3.45Å
696G77.4Confident81Confident71 Ų7149.9 Ų49.973%0.73227%0.271SS*.THydrogen-bonded Turntrans-100.818.6-177.200000116.7N694N694-G696 VanDerWaalsContact C-N 3.25Å; N694-G696 PolarHBondContact O-N 3.37Å; N694-G696 VanDerWaalsContact O-N 3.13Å
697S81.5Confident80.7Confident27 Ų2751 Ų5119%0.18928%0.276CS..  trans-68.9139.4178.4-174.40000113.1E635 N694 C699E635-S697 VanDerWaalsContact CD-OG 3.31Å; E635-S697 WeakPolarHBondContact OE1-CB 3.42Å; E635-S697 PolarHBondContact OE1-OG 2.78Å; N694-S697 PolarHBondContact O-N 3.13Å; S697-C699 WeakPolarHBondContact OG-CB 3.38Å; S697-C699 PolarHBondContact OG-N 3.45Å; S697-C699 VanDerWaalsContact OG-N 3.11Å
698N84.6Confident80.2Confident137 Ų13744 Ų4473%0.73325%0.25SS*.  trans-92.5-1.6171.2-72.7-27.3000113.2
699C83.8Confident79.7Confident1 Ų143 Ų431%0.00724%0.244CC..  trans-56.3153171.1175.20000109.2I629 N630 C631 E635 S697 F803I629-C699 CarbonylContact O-C 3.56Å; I629-C699 WeakPolarHBondContact O-CA 3.4Å; N630-C699 WeakPolarHBondContact O-CA 3.42Å; C631-C699 HydrophobicContact CB-CB 3.77Å; C631-C699 WeakPolarHBondContact CB-SG 3.4Å; C631-C699 WeakPolarHBondContact SG-CB 3.37Å; C631-C699 CovalentContact SG-SG 2.01Å; C631-C699 PolarHBondContact SG-SG 2.85Å; E635-C699 HydrophobicContact CB-CB 4.39Å; S697-C699 WeakPolarHBondContact OG-CB 3.38Å; S697-C699 PolarHBondContact OG-N 3.45Å; S697-C699 VanDerWaalsContact OG-N 3.11Å; C699-F803 HydrophobicContact CB-CD2 4.31Å; C699-F803 HydrophobicContact CB-CE2 3.53Å; C699-F803 HydrophobicContact CB-CZ 4.43Å; C699-F803 WeakPolarHBondContact O-CD2 3.49Å; C699-F803 WeakPolarHBondContact O-CE2 3.25Å; C699-F803 WeakPolarHBondContact SG-CE2 3.34Å
700Q85.1Confident79.4Confident51 Ų5144 Ų4424%0.23825%0.248CC..EExtended strand (participates in β ladder)trans-144.3162.1178.6-63.9176.3-13.700108.6P628 I629 V800P628-Q700 WeakPolarHBondContact CA-O 3.4Å; I629-Q700 HydrophobicContact CB-CB 4.19Å; I629-Q700 PolarHBondContact N-O 3.11Å; I629-Q700 PolarHBondContact O-N 2.98Å; Q700-V800 HydrophobicContact CB-CG1 4Å; Q700-V800 HydrophobicContact CG-CG1 4.47Å
701I83.6Confident78.9Confident0 Ų043.4 Ų43.40%025%0.247CC..EExtended strand (participates in β ladder)trans-117.3130.6170.8-73.1171.1000108.8A626 F627 V639 F685 W689 I706 V800 V801 F803A626-I701 HydrophobicContact CB-CD1 4.38Å; A626-I701 HydrophobicContact CB-CG2 3.72Å; F627-I701 CarbonylContact O-C 3.53Å; F627-I701 WeakPolarHBondContact O-CA 3Å; V639-I701 HydrophobicContact CB-CD1 4.37Å; V639-I701 HydrophobicContact CB-CG1 4.43Å; V639-I701 HydrophobicContact CG1-CD1 3.79Å; V639-I701 HydrophobicContact CG1-CG1 3.72Å; V639-I701 HydrophobicContact CG2-CD1 3.9Å; V639-I701 HydrophobicContact CG2-CG1 3.8Å; F685-I701 HydrophobicContact CE1-CD1 4.48Å; F685-I701 HydrophobicContact CE2-CD1 4.26Å; F685-I701 HydrophobicContact CZ-CD1 3.53Å; W689-I701 HydrophobicContact CZ3-CD1 4.36Å; I701-I706 HydrophobicContact CG2-CD1 4.21Å; I701-V800 CarbonylContact O-C 3.59Å; I701-V800 WeakPolarHBondContact O-CA 3.32Å; I701-V801 PolarHBondContact N-O 2.98Å; I701-V801 VanDerWaalsContact N-O 3.09Å; I701-V801 WeakPolarHBondContact O-CA 3.44Å; I701-V801 PolarHBondContact O-N 3.45Å; I701-F803 HydrophobicContact CB-CE1 4.23Å; I701-F803 HydrophobicContact CD1-CE1 3.59Å; I701-F803 HydrophobicContact CD1-CZ 4.09Å; I701-F803 HydrophobicContact CG1-CE1 3.58Å; I701-F803 HydrophobicContact CG1-CZ 3.72Å
702S79.3Confident78.7Confident2 Ų238.8 Ų38.81%0.01422%0.219CC..EExtended strand (participates in β ladder)trans-91.2119.9156.7-167.60000110F627 P794 C799F627-S702 PolarHBondContact N-O 2.82Å; F627-S702 PolarHBondContact O-N 2.66Å; S702-P794 WeakPolarHBondContact CB-O 3.38Å; S702-P794 PolarHBondContact OG-O 3.41Å; S702-C799 WeakPolarHBondContact CA-O 3.11Å
703S80.2Confident78.6Confident2 Ų238 Ų381%0.01421%0.213CC..  trans-167.4117.7171.7173.50000107.7I625 L705 I706 N707 E789 C799I625-S703 WeakPolarHBondContact CG2-OG 3.02Å; I625-S703 WeakPolarHBondContact O-CB 3.03Å; I625-S703 PolarHBondContact O-OG 3.46Å; S703-L705 VanDerWaalsContact C-N 3.29Å; S703-L705 PolarHBondContact OG-N 2.83Å; S703-I706 WeakPolarHBondContact OG-CG1 3.45Å; S703-I706 PolarHBondContact OG-N 3.47Å; S703-N707 VanDerWaalsContact O-CB 3.25Å; S703-N707 WeakPolarHBondContact O-CB 3.38Å; S703-N707 PolarHBondContact O-N 3.04Å; S703-E789 WeakPolarHBondContact CA-OE1 3Å; S703-E789 PolarHBondContact OG-OE1 2.04Å; S703-C799 PolarHBondContact N-O 3Å
704C75.8Confident78.5Confident5 Ų539.4 Ų39.43%0.03422%0.218CC..Hα-helixtrans-74.6-26.4175.2-24.50000110.7N707 V708 N788 E789 C799C704-N707 PolarHBondContact O-N 2.64Å; C704-V708 WeakPolarHBondContact O-CB 3.43Å; C704-V708 VanDerWaalsContact O-CG2 3.27Å; C704-V708 WeakPolarHBondContact O-CG2 3.34Å; C704-V708 PolarHBondContact O-N 3.18Å; C704-N788 HydrophobicContact CB-CB 4.48Å; C704-N788 WeakPolarHBondContact SG-CB 3.35Å; C704-E789 HydrophobicContact CB-CG 3.64Å; C704-E789 PolarHBondContact N-OE1 3.2Å; C704-C799 HydrophobicContact CB-CB 3.8Å; C704-C799 WeakPolarHBondContact CB-SG 3.42Å; C704-C799 WeakPolarHBondContact SG-CB 3.35Å; C704-C799 CovalentContact SG-SG 2.02Å; C704-C799 PolarHBondContact SG-SG 2.96Å
705L78.6Confident77.9Confident2 Ų235 Ų351%0.0120%0.197CC..Hα-helixtrans-64.9-44.8174.1-165.577000110.4I625 F646 M649 F675 S678 S703 G709 E789I625-L705 HydrophobicContact CD1-CD2 3.91Å; I625-L705 HydrophobicContact CG1-CD2 4.41Å; I625-L705 HydrophobicContact CG2-CB 3.97Å; I625-L705 HydrophobicContact CG2-CD2 3.84Å; F646-L705 HydrophobicContact CB-CD2 4.18Å; F646-L705 HydrophobicContact CD1-CD2 4.04Å; F646-L705 HydrophobicContact CG-CD2 4.25Å; M649-L705 HydrophobicContact CB-CD2 4.2Å; M649-L705 HydrophobicContact SD-CD2 3.86Å; F675-L705 HydrophobicContact CD1-CD1 4.03Å; F675-L705 HydrophobicContact CE1-CD1 4.02Å; S678-L705 WeakPolarHBondContact OG-CG 3.19Å; S703-L705 VanDerWaalsContact C-N 3.29Å; S703-L705 PolarHBondContact OG-N 2.83Å; L705-G709 PolarHBondContact O-N 3.07Å; L705-E789 HydrophobicContact CB-CG 4.02Å; L705-E789 PolarHBondContact N-OE1 2.76Å
706I81.5Confident77.3Confident0 Ų032.3 Ų32.30%019%0.19CC..Hα-helixtrans-69.7-40.4174.7-62.9170.1000110.6I625 A626 F646 M682 F685 I701 S703 V708 G709 L710 V801I625-I706 HydrophobicContact CG2-CD1 4.5Å; I625-I706 HydrophobicContact CG2-CG1 4.41Å; A626-I706 HydrophobicContact CB-CD1 3.63Å; F646-I706 HydrophobicContact CD2-CD1 4.48Å; F646-I706 HydrophobicContact CD2-CG1 4.32Å; F646-I706 HydrophobicContact CE2-CD1 4.08Å; F646-I706 HydrophobicContact CE2-CG1 3.75Å; F646-I706 HydrophobicContact CZ-CG1 4.23Å; M682-I706 HydrophobicContact CE-CB 4.04Å; M682-I706 HydrophobicContact CE-CG1 4.15Å; M682-I706 HydrophobicContact CE-CG2 3.87Å; M682-I706 HydrophobicContact SD-CG2 4.36Å; F685-I706 HydrophobicContact CD1-CG2 4.37Å; F685-I706 HydrophobicContact CD2-CD1 4.11Å; F685-I706 HydrophobicContact CE1-CD1 4.34Å; F685-I706 HydrophobicContact CE1-CG2 4.11Å; F685-I706 HydrophobicContact CE2-CD1 3.7Å; F685-I706 HydrophobicContact CZ-CD1 3.86Å; I701-I706 HydrophobicContact CG2-CD1 4.21Å; S703-I706 WeakPolarHBondContact OG-CG1 3.45Å; S703-I706 PolarHBondContact OG-N 3.47Å; I706-V708 VanDerWaalsContact C-N 3.35Å; I706-V708 PolarHBondContact O-N 3.42Å; I706-G709 PolarHBondContact O-N 3.01Å; I706-G709 VanDerWaalsContact O-N 3.13Å; I706-L710 HydrophobicContact CG2-CD1 3.77Å; I706-L710 HydrophobicContact CG2-CG 4.27Å; I706-L710 VanDerWaalsContact O-CG 3.28Å; I706-L710 WeakPolarHBondContact O-CG 3.31Å; I706-L710 PolarHBondContact O-N 3.06Å; I706-V801 HydrophobicContact CG2-CG2 4.4Å
707N78.8Confident76.2Confident39 Ų3936.2 Ų36.221%0.20919%0.194CC..Hα-helixtrans-59.9-42.1176-165.129.7000112.2S703 C704 L710 T711 V801S703-N707 VanDerWaalsContact O-CB 3.25Å; S703-N707 WeakPolarHBondContact O-CB 3.38Å; S703-N707 PolarHBondContact O-N 3.04Å; C704-N707 PolarHBondContact O-N 2.64Å; N707-L710 PolarHBondContact O-N 3.15Å; N707-T711 WeakPolarHBondContact O-CB 3.41Å; N707-T711 WeakPolarHBondContact O-CG2 3.27Å; N707-T711 PolarHBondContact O-N 3.17Å; N707-T711 PolarHBondContact O-OG1 3.1Å; N707-V801 HydrophobicContact CB-CG2 3.74Å
708V75.3Confident74.9Confident1 Ų138.9 Ų38.91%0.00621%0.206CC..Hα-helixtrans-62.2-45.7171.7166.70000110.9F675 C704 I706 L710 T711 V712 C713 L782 S785F675-V708 HydrophobicContact CD1-CG1 4.02Å; F675-V708 HydrophobicContact CE1-CB 4.49Å; F675-V708 HydrophobicContact CE1-CG1 4.13Å; F675-V708 HydrophobicContact CE1-CG2 4.37Å; C704-V708 WeakPolarHBondContact O-CB 3.43Å; C704-V708 VanDerWaalsContact O-CG2 3.27Å; C704-V708 WeakPolarHBondContact O-CG2 3.34Å; C704-V708 PolarHBondContact O-N 3.18Å; I706-V708 VanDerWaalsContact C-N 3.35Å; I706-V708 PolarHBondContact O-N 3.42Å; V708-L710 PolarHBondContact O-N 3.08Å; V708-T711 PolarHBondContact O-N 3.25Å; V708-V712 HydrophobicContact CG1-CB 4.21Å; V708-V712 HydrophobicContact CG1-CG2 4.12Å; V708-V712 WeakPolarHBondContact O-CA 3.32Å; V708-V712 WeakPolarHBondContact O-CB 2.99Å; V708-V712 PolarHBondContact O-N 3.32Å; V708-C713 PolarHBondContact O-N 3.13Å; V708-L782 HydrophobicContact CG1-CD1 3.76Å; V708-L782 HydrophobicContact CG2-CD1 4.2Å; V708-S785 WeakPolarHBondContact CG2-OG 3.49Å
709G79.4Confident73.1Confident0 Ų038.3 Ų38.30%021%0.213CC..Hα-helixtrans-58.6-33.9177.600000113.5L705 I706 C713 K714L705-G709 PolarHBondContact O-N 3.07Å; I706-G709 PolarHBondContact O-N 3.01Å; I706-G709 VanDerWaalsContact O-N 3.13Å; G709-C713 VanDerWaalsContact CA-SG 3.59Å; G709-C713 VanDerWaalsContact O-CB 3.3Å; G709-C713 WeakPolarHBondContact O-CB 3.02Å; G709-K714 PolarHBondContact O-N 3.41Å
710L76.6Confident72.1Confident20 Ų2040.3 Ų40.311%0.10523%0.23CC..Hα-helixtrans-85.8-26.8178.6-64.5167.7000114.5M682 I706 N707 V708 K714 V801 L806 F810M682-L710 HydrophobicContact SD-CD2 4.2Å; M682-L710 HydrophobicContact SD-CG 4.34Å; I706-L710 HydrophobicContact CG2-CD1 3.77Å; I706-L710 HydrophobicContact CG2-CG 4.27Å; I706-L710 VanDerWaalsContact O-CG 3.28Å; I706-L710 WeakPolarHBondContact O-CG 3.31Å; I706-L710 PolarHBondContact O-N 3.06Å; N707-L710 PolarHBondContact O-N 3.15Å; V708-L710 PolarHBondContact O-N 3.08Å; L710-K714 VanDerWaalsContact O-CB 3.31Å; L710-K714 WeakPolarHBondContact O-CB 3.27Å; L710-V801 HydrophobicContact CD1-CB 4.43Å; L710-V801 HydrophobicContact CD1-CG1 3.41Å; L710-V801 VanDerWaalsContact CD1-CG1 3.41Å; L710-V801 HydrophobicContact CD1-CG2 4.15Å; L710-L806 HydrophobicContact CD1-CD1 4.26Å; L710-L806 HydrophobicContact CD1-CD2 3.75Å; L710-L806 HydrophobicContact CD1-CG 3.63Å; L710-L806 HydrophobicContact CD2-CD2 3.55Å; L710-L806 HydrophobicContact CD2-CG 4.15Å; L710-L806 HydrophobicContact CG-CD2 4.22Å; L710-F810 HydrophobicContact CD2-CE2 4.08Å; L710-F810 HydrophobicContact CD2-CZ 4.04Å
711T73.3Confident71.4Confident44 Ų4441.7 Ų41.727%0.2724%0.243SC..Hα-helixtrans-100.3-29.4-175.9550000113.7N707 V708N707-T711 WeakPolarHBondContact O-CB 3.41Å; N707-T711 WeakPolarHBondContact O-CG2 3.27Å; N707-T711 PolarHBondContact O-N 3.17Å; N707-T711 PolarHBondContact O-OG1 3.1Å; V708-T711 PolarHBondContact O-N 3.25Å
712V74.9Confident71Confident14 Ų1442.6 Ų42.69%0.08525%0.247CC..THydrogen-bonded Turntrans-107.7-52.7-177.9-171.50000110.7V708 K714 S715 L722V708-V712 HydrophobicContact CG1-CB 4.21Å; V708-V712 HydrophobicContact CG1-CG2 4.12Å; V708-V712 WeakPolarHBondContact O-CA 3.32Å; V708-V712 WeakPolarHBondContact O-CB 2.99Å; V708-V712 PolarHBondContact O-N 3.32Å; V712-K714 PolarHBondContact O-N 2.85Å; V712-S715 PolarHBondContact O-N 2.97Å; V712-S715 PolarHBondContact O-OG 3.36Å; V712-L722 HydrophobicContact CG1-CD1 3.73Å
713C77.8Confident70.8Confident40 Ų4042.7 Ų42.727%0.2725%0.249SC..THydrogen-bonded Turntrans-72.2-16.4-176.9-42.70000113.8C679 V708 G709C679-C713 WeakPolarHBondContact CA-SG 3.25Å; C679-C713 HydrophobicContact CB-CB 3.55Å; C679-C713 WeakPolarHBondContact CB-SG 3.23Å; C679-C713 WeakPolarHBondContact SG-CB 3.35Å; C679-C713 CovalentContact SG-SG 2.02Å; C679-C713 PolarHBondContact SG-SG 2.92Å; V708-C713 PolarHBondContact O-N 3.13Å; G709-C713 VanDerWaalsContact CA-SG 3.59Å; G709-C713 VanDerWaalsContact O-CB 3.3Å; G709-C713 WeakPolarHBondContact O-CB 3.02Å
714K72.6Confident70.8Confident48 Ų4846.8 Ų46.821%0.20927%0.271CS..THydrogen-bonded Turntrans-93.1-20.4176.6-168.5-177171.9-1730113.2G709 L710 V712 K716 E808 F810G709-K714 PolarHBondContact O-N 3.41Å; L710-K714 VanDerWaalsContact O-CB 3.31Å; L710-K714 WeakPolarHBondContact O-CB 3.27Å; V712-K714 PolarHBondContact O-N 2.85Å; K714-K716 PolarHBondContact O-N 3.43Å; K714-K716 VanDerWaalsContact O-N 3.13Å; K714-E808 WeakPolarHBondContact CE-O 3Å; K714-E808 PolarHBondContact NZ-O 3.09Å; K714-E808 IonicContact NZ-OE2 2.97Å; K714-E808 PolarHBondContact NZ-OE2 3.31Å; K714-F810 HydrophobicContact CB-CE1 4.12Å; K714-F810 HydrophobicContact CB-CZ 4.38Å; K714-F810 HydrophobicContact CD-CZ 4.43Å; K714-F810 HydrophobicContact CG-CE1 4.25Å; K714-F810 HydrophobicContact CG-CZ 4.45Å
715S65Low71.2Confident39 Ų3947.3 Ų47.327%0.27327%0.272SS..  trans-71.5110.8-175.459.10000110.7V712 D717V712-S715 PolarHBondContact O-N 2.97Å; V712-S715 PolarHBondContact O-OG 3.36Å; S715-D717 PolarHBondContact O-N 2.64Å
716K57.9Low71.3Confident135 Ų13547.2 Ų47.259%0.58727%0.272SS*.THydrogen-bonded Turntrans-64.8-20.7172.4-70.5177.8172.8175.30113.3K714 E811K714-K716 PolarHBondContact O-N 3.43Å; K714-K716 VanDerWaalsContact O-N 3.13Å; K716-E811 IonicContact NZ-OE1 3.26Å; K716-E811 PolarHBondContact NZ-OE1 3.36Å; K716-E811 IonicContact NZ-OE2 3.02Å; K716-E811 PolarHBondContact NZ-OE2 2.02Å
717D54.6Low71.4Confident153 Ų15351.9 Ų51.982%0.81829%0.292SS*.THydrogen-bonded Turntrans-84-21.8-163.3-66.1-43.1000115.2S715S715-D717 PolarHBondContact O-N 2.64Å
718D54.7Low71.9Confident84 Ų8451.9 Ų51.945%0.44930%0.295SS..  trans-108.399.1175.7-81.2-25.8000110.2A720 N778D718-A720 PolarHBondContact O-N 3.11Å; D718-N778 PolarHBondContact OD2-ND2 3.36Å
719S47.1Very low72.3Confident124 Ų12451.9 Ų51.987%0.86730%0.295SS*.  trans-70.6-3.1178.357.80000114.8P721S719-P721 WeakPolarHBondContact O-CD 3.39Å
720A62.9Low72.5Confident44 Ų4452.9 Ų52.936%0.36430%0.299SS..SBendtrans-69.8123.6174.900000109.9D718 D724D718-A720 PolarHBondContact O-N 3.11Å; A720-D724 HydrophobicContact CB-CB 4.4Å
721P68.9Low72.9Confident79 Ų7955.6 Ų55.651%0.51332%0.32SS..  trans-47.3144.7168-27.633.8000111.6S719 G723 D724 Q725S719-P721 WeakPolarHBondContact O-CD 3.39Å; P721-G723 PolarHBondContact O-N 3.18Å; P721-G723 VanDerWaalsContact O-N 3.09Å; P721-D724 WeakPolarHBondContact CD-OD2 3.39Å; P721-D724 WeakPolarHBondContact O-CA 3.41Å; P721-D724 WeakPolarHBondContact O-CB 3.47Å; P721-D724 PolarHBondContact O-N 3.16Å; P721-Q725 PolarHBondContact O-N 2.86Å
722L75.5Confident73.5Confident19 Ų1953.8 Ų53.810%0.09931%0.308CS..Hα-helixtrans-49.7-36172.6-17461.2000112.5F675 C679 V712 D724 Q725 L726 L782F675-L722 HydrophobicContact CB-CD2 3.4Å; F675-L722 HydrophobicContact CB-CG 4.16Å; C679-L722 VanDerWaalsContact SG-CD2 3.56Å; V712-L722 HydrophobicContact CG1-CD1 3.73Å; L722-D724 VanDerWaalsContact C-N 3.34Å; L722-D724 PolarHBondContact O-N 3.36Å; L722-Q725 PolarHBondContact O-N 3.37Å; L722-L726 WeakPolarHBondContact O-CG 3.43Å; L722-L726 PolarHBondContact O-N 3.08Å; L722-L782 HydrophobicContact CD1-CD1 3.94Å; L722-L782 HydrophobicContact CD1-CD2 3.59Å; L722-L782 HydrophobicContact CD1-CG 4.43Å
723G75.4Confident73.8Confident4 Ų455.2 Ų55.24%0.04132%0.317CS..Hα-helixtrans-63.2-33.7173.800000114N672 P721 L726 K727N672-G723 VanDerWaalsContact CG-CA 3.47Å; N672-G723 WeakPolarHBondContact OD1-CA 3.48Å; N672-G723 PolarHBondContact OD1-N 2.97Å; P721-G723 PolarHBondContact O-N 3.18Å; P721-G723 VanDerWaalsContact O-N 3.09Å; G723-L726 PolarHBondContact O-N 2.84Å; G723-K727 WeakPolarHBondContact O-CB 3.11Å; G723-K727 WeakPolarHBondContact O-CG 3.34Å; G723-K727 PolarHBondContact O-N 2.84Å
724D81.2Confident74Confident89 Ų8957.6 Ų57.648%0.47634%0.34SS..Hα-helixtrans-73.7-35.4176.5-68.63.3000110.7A720 P721 L722 C728A720-D724 HydrophobicContact CB-CB 4.4Å; P721-D724 WeakPolarHBondContact CD-OD2 3.39Å; P721-D724 WeakPolarHBondContact O-CA 3.41Å; P721-D724 WeakPolarHBondContact O-CB 3.47Å; P721-D724 PolarHBondContact O-N 3.16Å; L722-D724 VanDerWaalsContact C-N 3.34Å; L722-D724 PolarHBondContact O-N 3.36Å; D724-C728 WeakPolarHBondContact O-CB 3.44Å; D724-C728 PolarHBondContact O-N 3.49Å
725Q82.4Confident74.7Confident15 Ų1558.5 Ų58.57%0.0735%0.345CS..Hα-helixtrans-65.7-42.4172-64-172200111.6P721 L722 S729 L782P721-Q725 PolarHBondContact O-N 2.86Å; L722-Q725 PolarHBondContact O-N 3.37Å; Q725-S729 WeakPolarHBondContact O-CB 3.41Å; Q725-S729 PolarHBondContact O-N 3.21Å; Q725-S729 PolarHBondContact O-OG 2.94Å; Q725-L782 HydrophobicContact CB-CD2 4.17Å
726L81.7Confident75.8Confident0 Ų061.2 Ų61.20%036%0.362CS..Hα-helixtrans-65.2-47.8174.2-69168.1000111.5V668 L671 N672 F675 L722 G723 C728 S729 F730 L782V668-L726 HydrophobicContact CG1-CB 3.87Å; L671-L726 HydrophobicContact CD2-CD2 4.07Å; L671-L726 HydrophobicContact CG-CD1 4.44Å; N672-L726 HydrophobicContact CB-CD1 3.76Å; F675-L726 HydrophobicContact CD2-CD1 4.13Å; F675-L726 HydrophobicContact CD2-CD2 4.44Å; F675-L726 HydrophobicContact CE2-CD2 4.36Å; L722-L726 WeakPolarHBondContact O-CG 3.43Å; L722-L726 PolarHBondContact O-N 3.08Å; G723-L726 PolarHBondContact O-N 2.84Å; L726-C728 PolarHBondContact O-N 3.26Å; L726-S729 WeakPolarHBondContact O-CB 3.39Å; L726-S729 PolarHBondContact O-N 3.43Å; L726-S729 VanDerWaalsContact O-N 3.1Å; L726-F730 HydrophobicContact CB-CD2 4.47Å; L726-F730 HydrophobicContact CB-CE2 4.42Å; L726-F730 HydrophobicContact CD2-CE2 4.03Å; L726-F730 WeakPolarHBondContact O-CD2 3.48Å; L726-F730 PolarHBondContact O-N 2.85Å; L726-L782 HydrophobicContact CD1-CD2 4.5Å; L726-L782 HydrophobicContact CD2-CD2 3.47Å; L726-L782 VanDerWaalsContact CD2-CD2 3.47Å; L726-L782 HydrophobicContact CD2-CG 3.8Å; L726-L782 HydrophobicContact CG-CD2 3.62Å; L726-L782 HydrophobicContact CG-CG 4.46Å
727K83.8Confident77.2Confident99 Ų9958.9 Ų58.943%0.4335%0.353SS..Hα-helixtrans-61.6-41.3177.9-76.4173.3-178.1-176.70111.9V668 D669 G723 S731V668-K727 HydrophobicContact CG1-CG 3.96Å; D669-K727 WeakPolarHBondContact OD1-CE 3.06Å; D669-K727 IonicContact OD1-NZ 3.81Å; D669-K727 PolarHBondContact OD1-NZ 3.25Å; G723-K727 WeakPolarHBondContact O-CB 3.11Å; G723-K727 WeakPolarHBondContact O-CG 3.34Å; G723-K727 PolarHBondContact O-N 2.84Å; K727-S731 WeakPolarHBondContact O-CB 3.49Å; K727-S731 PolarHBondContact O-N 3.26Å; K727-S731 PolarHBondContact O-OG 2.78Å
728C88Confident78.9Confident38 Ų3851.8 Ų51.826%0.25732%0.315SS..Hα-helixtrans-59.8-51.3170.2-171.50000110.5D724 L726 F730 S731 L732 C775D724-C728 WeakPolarHBondContact O-CB 3.44Å; D724-C728 PolarHBondContact O-N 3.49Å; L726-C728 PolarHBondContact O-N 3.26Å; C728-F730 VanDerWaalsContact C-N 3.3Å; C728-F730 PolarHBondContact O-N 3.38Å; C728-S731 PolarHBondContact O-N 2.76Å; C728-S731 PolarHBondContact O-OG 2.68Å; C728-L732 WeakPolarHBondContact O-CG 3.26Å; C728-L732 PolarHBondContact O-N 3.36Å; C728-C775 HydrophobicContact CB-CB 3.85Å; C728-C775 WeakPolarHBondContact CB-SG 3.42Å; C728-C775 PolarHBondContact O-SG 3Å; C728-C775 VanDerWaalsContact SG-CA 3.51Å; C728-C775 WeakPolarHBondContact SG-CB 3.21Å; C728-C775 CovalentContact SG-SG 2.04Å; C728-C775 PolarHBondContact SG-SG 2.87Å
729S84.6Confident80.3Confident1 Ų150.7 Ų50.71%0.00731%0.309CS..Hα-helixtrans-55.8-41.8-177.2-58.80000113.5Q725 L726Q725-S729 WeakPolarHBondContact O-CB 3.41Å; Q725-S729 PolarHBondContact O-N 3.21Å; Q725-S729 PolarHBondContact O-OG 2.94Å; L726-S729 WeakPolarHBondContact O-CB 3.39Å; L726-S729 PolarHBondContact O-N 3.43Å; L726-S729 VanDerWaalsContact O-N 3.1Å
730F83.1Confident82.4Confident22 Ų2251.9 Ų51.910%0.09630%0.301CS..Hα-helixtrans-90.7-21.5-177.4-62.3-58.6000114V664 L665 V668 L671 L726 C728 L732 V733 L786V664-F730 HydrophobicContact CG1-CZ 4.47Å; L665-F730 HydrophobicContact CD2-CD1 3.34Å; L665-F730 HydrophobicContact CD2-CE1 3.73Å; L665-F730 HydrophobicContact CD2-CG 4.32Å; V668-F730 HydrophobicContact CB-CD2 4.24Å; V668-F730 HydrophobicContact CG1-CD2 3.78Å; V668-F730 HydrophobicContact CG1-CE2 4.38Å; V668-F730 HydrophobicContact CG2-CB 3.89Å; V668-F730 HydrophobicContact CG2-CD2 3.52Å; V668-F730 HydrophobicContact CG2-CE2 4.32Å; V668-F730 HydrophobicContact CG2-CG 3.94Å; L671-F730 HydrophobicContact CD2-CE2 3.89Å; L671-F730 HydrophobicContact CD2-CZ 4.07Å; L726-F730 HydrophobicContact CB-CD2 4.47Å; L726-F730 HydrophobicContact CB-CE2 4.42Å; L726-F730 HydrophobicContact CD2-CE2 4.03Å; L726-F730 WeakPolarHBondContact O-CD2 3.48Å; L726-F730 PolarHBondContact O-N 2.85Å; C728-F730 VanDerWaalsContact C-N 3.3Å; C728-F730 PolarHBondContact O-N 3.38Å; F730-L732 PolarHBondContact O-N 3.12Å; F730-V733 WeakPolarHBondContact O-CB 3.43Å; F730-V733 WeakPolarHBondContact O-CG2 3.24Å; F730-V733 PolarHBondContact O-N 2.83Å; F730-V733 VanDerWaalsContact O-N 3.17Å; F730-L786 HydrophobicContact CZ-CD2 3.76Å
731S85.2Confident83.6Confident77 Ų7750 Ų5054%0.53829%0.285SS..Hα-helixtrans-65.6-24.217070.90000112.2K727 C728 V733 A734K727-S731 WeakPolarHBondContact O-CB 3.49Å; K727-S731 PolarHBondContact O-N 3.26Å; K727-S731 PolarHBondContact O-OG 2.78Å; C728-S731 PolarHBondContact O-N 2.76Å; C728-S731 PolarHBondContact O-OG 2.68Å; S731-V733 PolarHBondContact O-N 2.69Å; S731-A734 PolarHBondContact O-N 3.25Å
732L86.3Confident84.4Confident5 Ų547.2 Ų47.23%0.02627%0.265CS..G310 helixtrans-61.1-11.3172.3-56.8-175.4000113.9C728 F730 A734 E735 F738 L771 K774C728-L732 WeakPolarHBondContact O-CG 3.26Å; C728-L732 PolarHBondContact O-N 3.36Å; F730-L732 PolarHBondContact O-N 3.12Å; L732-A734 PolarHBondContact O-N 3.34Å; L732-E735 HydrophobicContact CB-CG 4.38Å; L732-E735 HydrophobicContact CD2-CG 3.85Å; L732-E735 WeakPolarHBondContact O-CB 3.22Å; L732-E735 PolarHBondContact O-N 3.41Å; L732-F738 HydrophobicContact CB-CB 4.24Å; L732-F738 HydrophobicContact CB-CD2 3.58Å; L732-F738 HydrophobicContact CB-CE2 4.1Å; L732-F738 HydrophobicContact CB-CG 4.02Å; L732-F738 HydrophobicContact CD1-CD2 4.38Å; L732-F738 WeakPolarHBondContact O-CB 3.5Å; L732-F738 WeakPolarHBondContact O-CG 3.29Å; L732-L771 HydrophobicContact CD1-CB 4.22Å; L732-L771 HydrophobicContact CD1-CD1 3.75Å; L732-K774 HydrophobicContact CD1-CB 4.16Å; L732-K774 HydrophobicContact CD2-CB 3.64Å; L732-K774 HydrophobicContact CD2-CD 4.3Å; L732-K774 HydrophobicContact CD2-CG 3.82Å
733V81.5Confident84.9Confident44 Ų4451 Ų5127%0.26729%0.285SS..G310 helixtrans-54-26.6171.3174.10000112.1L665 F730 S731 F738L665-V733 HydrophobicContact CD1-CG2 4.11Å; L665-V733 HydrophobicContact CD2-CG2 4Å; F730-V733 WeakPolarHBondContact O-CB 3.43Å; F730-V733 WeakPolarHBondContact O-CG2 3.24Å; F730-V733 PolarHBondContact O-N 2.83Å; F730-V733 VanDerWaalsContact O-N 3.17Å; S731-V733 PolarHBondContact O-N 2.69Å; V733-F738 HydrophobicContact CB-CE1 4.36Å; V733-F738 HydrophobicContact CG2-CD1 4.2Å; V733-F738 HydrophobicContact CG2-CE1 3.58Å; V733-F738 HydrophobicContact CG2-CZ 4.14Å
734A81.7Confident85.5Confident91 Ų9154.9 Ų54.975%0.75231%0.311SS*.G310 helixtrans-80.2-16173.900000114.8S731 L732S731-A734 PolarHBondContact O-N 3.25Å; L732-A734 PolarHBondContact O-N 3.34Å
735E86.8Confident85.6Confident66 Ų6651 Ų5131%0.30829%0.29SS..SBendtrans-76.5134179.7-69.4-80.6172.900111L732 E737 F738 N739 K774L732-E735 HydrophobicContact CB-CG 4.38Å; L732-E735 HydrophobicContact CD2-CG 3.85Å; L732-E735 WeakPolarHBondContact O-CB 3.22Å; L732-E735 PolarHBondContact O-N 3.41Å; E735-E737 VanDerWaalsContact C-N 3.32Å; E735-E737 PolarHBondContact O-N 3.23Å; E735-F738 HydrophobicContact CB-CB 4.4Å; E735-F738 PolarHBondContact O-N 3.1Å; E735-F738 VanDerWaalsContact O-N 3.14Å; E735-N739 WeakPolarHBondContact O-CB 3.31Å; E735-N739 PolarHBondContact O-N 3.05Å; E735-K774 WeakPolarHBondContact OE1-CE 3.45Å; E735-K774 IonicContact OE1-NZ 2.67Å; E735-K774 PolarHBondContact OE1-NZ 3.2Å; E735-K774 IonicContact OE2-NZ 3.8Å
736P87.9Confident85.7Confident97 Ų9753.3 Ų53.363%0.6331%0.307SS*.Hα-helixtrans-56.1-40.3-176.2-27.834.9000114.6Q740P736-Q740 WeakPolarHBondContact O-CB 3.37Å; P736-Q740 PolarHBondContact O-N 3.49Å
737E88.5Confident85.8Confident85 Ų8562.3 Ų62.340%0.39734%0.34SS..Hα-helixtrans-62.9-43.6179.3-65.6176.2-164.100111.5E735 C741 P770 K773E735-E737 VanDerWaalsContact C-N 3.32Å; E735-E737 PolarHBondContact O-N 3.23Å; E737-C741 PolarHBondContact O-N 3.28Å; E737-C741 PolarHBondContact O-SG 3.28Å; E737-P770 HydrophobicContact CB-CB 4.14Å; E737-P770 HydrophobicContact CB-CG 4.11Å; E737-K773 IonicContact OE1-NZ 3.04Å
738F89.3Confident85.6Confident4 Ų462.1 Ų62.12%0.01835%0.348CS..Hα-helixtrans-73.5-43.1178.8-172.8-68000111.1L732 V733 E735 Q740 C741 F742 F763 I767L732-F738 HydrophobicContact CB-CB 4.24Å; L732-F738 HydrophobicContact CB-CD2 3.58Å; L732-F738 HydrophobicContact CB-CE2 4.1Å; L732-F738 HydrophobicContact CB-CG 4.02Å; L732-F738 HydrophobicContact CD1-CD2 4.38Å; L732-F738 WeakPolarHBondContact O-CB 3.5Å; L732-F738 WeakPolarHBondContact O-CG 3.29Å; V733-F738 HydrophobicContact CB-CE1 4.36Å; V733-F738 HydrophobicContact CG2-CD1 4.2Å; V733-F738 HydrophobicContact CG2-CE1 3.58Å; V733-F738 HydrophobicContact CG2-CZ 4.14Å; E735-F738 HydrophobicContact CB-CB 4.4Å; E735-F738 PolarHBondContact O-N 3.1Å; E735-F738 VanDerWaalsContact O-N 3.14Å; F738-Q740 VanDerWaalsContact C-N 3.27Å; F738-Q740 PolarHBondContact O-N 3.43Å; F738-C741 WeakPolarHBondContact O-CA 3.39Å; F738-C741 VanDerWaalsContact O-CB 3.31Å; F738-C741 WeakPolarHBondContact O-CB 3.34Å; F738-C741 PolarHBondContact O-N 2.65Å; F738-F742 HydrophobicContact CD1-CB 4.5Å; F738-F742 PolarHBondContact O-N 3.08Å; F738-F763 HydrophobicContact CE1-CE2 4.34Å; F738-F763 AromaticContact CE1-CZ 3.83Å; F738-F763 HydrophobicContact CE1-CZ 3.83Å; F738-F763 AromaticContact CZ-CZ 3.77Å; F738-F763 HydrophobicContact CZ-CZ 3.77Å; F738-I767 HydrophobicContact CD1-CG2 4.29Å; F738-I767 HydrophobicContact CD2-CB 3.81Å; F738-I767 HydrophobicContact CD2-CD1 4.48Å; F738-I767 HydrophobicContact CD2-CG2 3.6Å; F738-I767 HydrophobicContact CE1-CG2 4.38Å; F738-I767 HydrophobicContact CE2-CB 3.89Å; F738-I767 HydrophobicContact CE2-CD1 3.69Å; F738-I767 HydrophobicContact CE2-CG1 4.39Å; F738-I767 HydrophobicContact CE2-CG2 3.74Å; F738-I767 HydrophobicContact CG-CG2 3.9Å; F738-I767 HydrophobicContact CZ-CD1 4.09Å; F738-I767 HydrophobicContact CZ-CG2 4.13Å
739N85.3Confident85.2Confident61 Ų6160.3 Ų60.333%0.32634%0.336SS..Hα-helixtrans-62.1-36.4178.1-169.119.5000111.2E735 C741 F742 L743E735-N739 WeakPolarHBondContact O-CB 3.31Å; E735-N739 PolarHBondContact O-N 3.05Å; N739-C741 PolarHBondContact O-N 3.37Å; N739-F742 PolarHBondContact O-N 3.5Å; N739-L743 WeakPolarHBondContact O-CB 3.5Å; N739-L743 VanDerWaalsContact O-CG 3.27Å; N739-L743 WeakPolarHBondContact O-CG 3.37Å; N739-L743 PolarHBondContact O-N 2.88Å
740Q89.7Confident85Confident149 Ų14962 Ų6270%0.69634%0.342SS*.Hα-helixtrans-60-43.2171.3-175.2177.63.200112P736 F738 S744P736-Q740 WeakPolarHBondContact O-CB 3.37Å; P736-Q740 PolarHBondContact O-N 3.49Å; F738-Q740 VanDerWaalsContact C-N 3.27Å; F738-Q740 PolarHBondContact O-N 3.43Å; Q740-S744 PolarHBondContact O-N 2.76Å; Q740-S744 VanDerWaalsContact O-N 3.16Å
741C89.8Confident84.8Confident5 Ų566.4 Ų66.43%0.03437%0.366CS..Hα-helixtrans-63.1-43.6173.2-62.60000112.2E737 F738 N739 S744 F763 C766 I767E737-C741 PolarHBondContact O-N 3.28Å; E737-C741 PolarHBondContact O-SG 3.28Å; F738-C741 WeakPolarHBondContact O-CA 3.39Å; F738-C741 VanDerWaalsContact O-CB 3.31Å; F738-C741 WeakPolarHBondContact O-CB 3.34Å; F738-C741 PolarHBondContact O-N 2.65Å; N739-C741 PolarHBondContact O-N 3.37Å; C741-S744 WeakPolarHBondContact O-CB 3.44Å; C741-S744 PolarHBondContact O-N 3.39Å; C741-S744 PolarHBondContact O-OG 3.39Å; C741-F763 HydrophobicContact CB-CD2 4.22Å; C741-F763 HydrophobicContact CB-CE2 4.22Å; C741-C766 VanDerWaalsContact CA-SG 3.51Å; C741-C766 HydrophobicContact CB-CB 3.64Å; C741-C766 WeakPolarHBondContact CB-SG 3.39Å; C741-C766 WeakPolarHBondContact SG-CB 3.47Å; C741-C766 CovalentContact SG-SG 2.03Å; C741-C766 PolarHBondContact SG-SG 2.89Å; C741-I767 HydrophobicContact CB-CG2 3.59Å
742F85.2Confident84.2Confident20 Ų2065 Ų659%0.08835%0.353CS..Hα-helixtrans-63.8-45.3-180-178.6-111000112.3L661 L665 F738 N739 S744 M745 W750 F763L661-F742 HydrophobicContact CD2-CD2 4.15Å; L661-F742 HydrophobicContact CD2-CE2 3.72Å; L661-F742 HydrophobicContact CG-CE2 4.12Å; L665-F742 HydrophobicContact CD1-CD2 4.31Å; L665-F742 HydrophobicContact CD1-CE2 3.61Å; L665-F742 HydrophobicContact CD1-CZ 3.9Å; F738-F742 HydrophobicContact CD1-CB 4.5Å; F738-F742 PolarHBondContact O-N 3.08Å; N739-F742 PolarHBondContact O-N 3.5Å; F742-S744 PolarHBondContact O-N 3.35Å; F742-M745 HydrophobicContact CD2-CE 3.87Å; F742-M745 HydrophobicContact CE2-CE 4.4Å; F742-M745 PolarHBondContact O-N 3.49Å; F742-W750 HydrophobicContact CD1-CH2 4.06Å; F742-W750 HydrophobicContact CD1-CZ2 4.13Å; F742-W750 AromaticContact CE1-CH2 3.26Å; F742-W750 HydrophobicContact CE1-CH2 3.26Å; F742-W750 AromaticContact CE1-CZ2 3.67Å; F742-W750 HydrophobicContact CE1-CZ2 3.67Å; F742-W750 AromaticContact CE1-CZ3 3.84Å; F742-W750 HydrophobicContact CE1-CZ3 3.84Å; F742-W750 HydrophobicContact CE2-CH2 4.41Å; F742-W750 HydrophobicContact CE2-CZ2 4.23Å; F742-W750 HydrophobicContact CZ-CD2 4.33Å; F742-W750 HydrophobicContact CZ-CE3 4.11Å; F742-W750 AromaticContact CZ-CH2 3.48Å; F742-W750 HydrophobicContact CZ-CH2 3.48Å; F742-W750 VanDerWaalsContact CZ-CH2 3.48Å; F742-W750 AromaticContact CZ-CZ2 3.72Å; F742-W750 HydrophobicContact CZ-CZ2 3.72Å; F742-W750 AromaticContact CZ-CZ3 3.69Å; F742-W750 HydrophobicContact CZ-CZ3 3.69Å; F742-F763 HydrophobicContact CB-CE2 4.07Å; F742-F763 HydrophobicContact CD2-CE2 4.32Å; F742-F763 HydrophobicContact CD2-CZ 4.46Å
743L85.8Confident83.3Confident100 Ų10067.7 Ų67.752%0.52437%0.371SS..Hα-helixtrans-70.9-15176.9-67.1172.3000113.8N739 M745N739-L743 WeakPolarHBondContact O-CB 3.5Å; N739-L743 VanDerWaalsContact O-CG 3.27Å; N739-L743 WeakPolarHBondContact O-CG 3.37Å; N739-L743 PolarHBondContact O-N 2.88Å; L743-M745 VanDerWaalsContact C-N 3.28Å
744S87.1Confident82.7Confident84 Ų8469.5 Ų69.559%0.58739%0.385SS*.THydrogen-bonded Turntrans-74.8-16.2174.378.90000113.7Q740 C741 F742Q740-S744 PolarHBondContact O-N 2.76Å; Q740-S744 VanDerWaalsContact O-N 3.16Å; C741-S744 WeakPolarHBondContact O-CB 3.44Å; C741-S744 PolarHBondContact O-N 3.39Å; C741-S744 PolarHBondContact O-OG 3.39Å; F742-S744 PolarHBondContact O-N 3.35Å
745M83.7Confident82.6Confident8 Ų868.7 Ų68.74%0.03937%0.366CS..SBendtrans-82.9130.9175.8-69.5-173.9-68.400111.2L661 F742 L743 R747 W750 F763L661-M745 HydrophobicContact CD2-CE 3.49Å; L661-M745 VanDerWaalsContact CD2-CE 3.49Å; L661-M745 HydrophobicContact CD2-SD 4.49Å; F742-M745 HydrophobicContact CD2-CE 3.87Å; F742-M745 HydrophobicContact CE2-CE 4.4Å; F742-M745 PolarHBondContact O-N 3.49Å; L743-M745 VanDerWaalsContact C-N 3.28Å; M745-R747 PolarHBondContact O-N 3.03Å; M745-W750 PolarHBondContact O-NE1 3.45Å; M745-F763 HydrophobicContact CE-CB 4.26Å; M745-F763 HydrophobicContact CE-CD1 4.28Å; M745-F763 HydrophobicContact CE-CD2 3.39Å; M745-F763 HydrophobicContact CE-CE2 3.69Å; M745-F763 HydrophobicContact CE-CG 3.71Å; M745-F763 HydrophobicContact CE-CZ 4.24Å; M745-F763 HydrophobicContact CG-CB 4.42Å; M745-F763 HydrophobicContact SD-CB 3.64Å; M745-F763 HydrophobicContact SD-CD2 3.92Å; M745-F763 HydrophobicContact SD-CG 3.78Å
746P85.5Confident81.9Confident64 Ų6465.6 Ų65.642%0.41635%0.351SS..  trans-50.2128.5170-27.834.2000112.2T748 A749 L759P746-T748 PolarHBondContact O-N 3.43Å; P746-A749 WeakPolarHBondContact O-CB 3.45Å; P746-A749 PolarHBondContact O-N 3.05Å; P746-L759 HydrophobicContact CG-CD1 4.22Å
747R82Confident81Confident188 Ų18861.6 Ų61.671%0.70933%0.326SS*.THydrogen-bonded Turntrans-61.7-24.2179.2-69.5-175.8179.6-175.3-0.5113.4M745 A749 W750M745-R747 PolarHBondContact O-N 3.03Å; R747-A749 VanDerWaalsContact C-N 3.26Å; R747-A749 PolarHBondContact O-N 3.26Å; R747-W750 HydrophobicContact CG-CD2 4.38Å; R747-W750 HydrophobicContact CG-CE3 4.5Å; R747-W750 HydrophobicContact CG-CH2 4.24Å; R747-W750 HydrophobicContact CG-CZ2 4.09Å; R747-W750 HydrophobicContact CG-CZ3 4.44Å; R747-W750 WeakPolarHBondContact O-CB 3.34Å; R747-W750 PolarHBondContact O-N 3.4Å
748T80.2Confident80.3Confident96 Ų9663.4 Ų63.459%0.58934%0.339SS*.THydrogen-bonded Turntrans-60.4-37.5173.552.20000111.9P746 W750 Q755P746-T748 PolarHBondContact O-N 3.43Å; T748-W750 VanDerWaalsContact C-N 3.32Å; T748-W750 PolarHBondContact O-N 2.97Å; T748-Q755 PolarHBondContact OG1-OE1 2.87Å
749A79.8Confident79.9Confident0 Ų065 Ų650%035%0.347CS..G310 helixtrans-73.4-22.6-179.200000113.2P746 R747 N751 D752 Q755 L756 L759P746-A749 WeakPolarHBondContact O-CB 3.45Å; P746-A749 PolarHBondContact O-N 3.05Å; R747-A749 VanDerWaalsContact C-N 3.26Å; R747-A749 PolarHBondContact O-N 3.26Å; A749-N751 PolarHBondContact O-N 3.32Å; A749-D752 PolarHBondContact O-N 3.18Å; A749-Q755 HydrophobicContact CB-CB 3.6Å; A749-L756 WeakPolarHBondContact O-CB 3.48Å; A749-L759 HydrophobicContact CB-CD1 3.3Å
750W79.8Confident79.4Confident36 Ų3662.4 Ų62.414%0.13633%0.333CS..G310 helixtrans-60.7-21.8-172.9-67.311000113.7G660 L661 P662 F742 M745 R747 T748G660-W750 CarbonylContact C-O 3.59Å; G660-W750 WeakPolarHBondContact CA-O 3.25Å; L661-W750 PolarHBondContact N-O 3.45Å; P662-W750 HydrophobicContact CG-CB 4.28Å; P662-W750 HydrophobicContact CG-CD2 4.5Å; P662-W750 HydrophobicContact CG-CE3 3.82Å; F742-W750 HydrophobicContact CD1-CH2 4.06Å; F742-W750 HydrophobicContact CD1-CZ2 4.13Å; F742-W750 AromaticContact CE1-CH2 3.26Å; F742-W750 HydrophobicContact CE1-CH2 3.26Å; F742-W750 AromaticContact CE1-CZ2 3.67Å; F742-W750 HydrophobicContact CE1-CZ2 3.67Å; F742-W750 AromaticContact CE1-CZ3 3.84Å; F742-W750 HydrophobicContact CE1-CZ3 3.84Å; F742-W750 HydrophobicContact CE2-CH2 4.41Å; F742-W750 HydrophobicContact CE2-CZ2 4.23Å; F742-W750 HydrophobicContact CZ-CD2 4.33Å; F742-W750 HydrophobicContact CZ-CE3 4.11Å; F742-W750 AromaticContact CZ-CH2 3.48Å; F742-W750 HydrophobicContact CZ-CH2 3.48Å; F742-W750 VanDerWaalsContact CZ-CH2 3.48Å; F742-W750 AromaticContact CZ-CZ2 3.72Å; F742-W750 HydrophobicContact CZ-CZ2 3.72Å; F742-W750 AromaticContact CZ-CZ3 3.69Å; F742-W750 HydrophobicContact CZ-CZ3 3.69Å; M745-W750 PolarHBondContact O-NE1 3.45Å; R747-W750 HydrophobicContact CG-CD2 4.38Å; R747-W750 HydrophobicContact CG-CE3 4.5Å; R747-W750 HydrophobicContact CG-CH2 4.24Å; R747-W750 HydrophobicContact CG-CZ2 4.09Å; R747-W750 HydrophobicContact CG-CZ3 4.44Å; R747-W750 WeakPolarHBondContact O-CB 3.34Å; R747-W750 PolarHBondContact O-N 3.4Å; T748-W750 VanDerWaalsContact C-N 3.32Å; T748-W750 PolarHBondContact O-N 2.97Å
751N79.2Confident78.8Confident115 Ų11558.4 Ų58.462%0.61532%0.32SS*.G310 helixtrans-118-1.8-177.2-57-23.6000113.6A749A749-N751 PolarHBondContact O-N 3.32Å
752D72.6Confident78.5Confident48 Ų4865.3 Ų65.326%0.25735%0.35SS..  trans-111.3105177.4173.4-1.2000108.7A749 S754 Q755 L756A749-D752 PolarHBondContact O-N 3.18Å; D752-S754 PolarHBondContact O-N 3.36Å; D752-S754 VanDerWaalsContact OD1-CB 3.25Å; D752-S754 WeakPolarHBondContact OD1-CB 3.25Å; D752-S754 PolarHBondContact OD1-N 2.99Å; D752-S754 PolarHBondContact OD1-OG 3.5Å; D752-Q755 HydrophobicContact CB-CB 4.23Å; D752-Q755 HydrophobicContact CB-CG 4.45Å; D752-Q755 PolarHBondContact O-N 3.44Å; D752-Q755 WeakPolarHBondContact OD2-CG 3.31Å; D752-Q755 PolarHBondContact OD2-NE2 3.23Å; D752-L756 WeakPolarHBondContact O-CB 3.47Å; D752-L756 PolarHBondContact O-N 3.48Å
753P68.7Low78.5Confident61 Ų6164.7 Ų64.740%0.39635%0.347SS..Hα-helixtrans-52.1-29.4-178.9-28.236.1000114.4A757P753-A757 WeakPolarHBondContact O-CB 3.36Å; P753-A757 PolarHBondContact O-N 3.03Å
754S69.2Low78.4Confident82 Ų8260.4 Ų60.457%0.57333%0.325SS*.Hα-helixtrans-72.7-54.1-178.3-19.70000111.4D752 L756 A757 D758D752-S754 PolarHBondContact O-N 3.36Å; D752-S754 VanDerWaalsContact OD1-CB 3.25Å; D752-S754 WeakPolarHBondContact OD1-CB 3.25Å; D752-S754 PolarHBondContact OD1-N 2.99Å; D752-S754 PolarHBondContact OD1-OG 3.5Å; S754-L756 PolarHBondContact O-N 3.25Å; S754-A757 WeakPolarHBondContact O-CB 3.23Å; S754-A757 PolarHBondContact O-N 3.34Å; S754-D758 PolarHBondContact O-N 3.43Å
755Q77.8Confident78.4Confident73 Ų7360.3 Ų60.334%0.34132%0.324SS..Hα-helixtrans-61.6-36.7172.4-76.3174.366.100111.6T748 A749 D752 A757 D758 L759T748-Q755 PolarHBondContact OG1-OE1 2.87Å; A749-Q755 HydrophobicContact CB-CB 3.6Å; D752-Q755 HydrophobicContact CB-CB 4.23Å; D752-Q755 HydrophobicContact CB-CG 4.45Å; D752-Q755 PolarHBondContact O-N 3.44Å; D752-Q755 WeakPolarHBondContact OD2-CG 3.31Å; D752-Q755 PolarHBondContact OD2-NE2 3.23Å; Q755-A757 VanDerWaalsContact C-N 3.34Å; Q755-D758 PolarHBondContact O-N 3.45Å; Q755-L759 WeakPolarHBondContact O-CD1 3.32Å; Q755-L759 WeakPolarHBondContact O-CG 3.31Å; Q755-L759 PolarHBondContact O-N 3.5Å
756L73.4Confident78.8Confident1 Ų162.6 Ų62.61%0.00534%0.34CS..Hα-helixtrans-66.4-38.8-177.9-164.461.2000111L661 A749 D752 S754 L759 F760 L791L661-L756 HydrophobicContact CB-CD1 4.21Å; L661-L756 HydrophobicContact CB-CD2 4.03Å; L661-L756 HydrophobicContact CD2-CD1 4.34Å; A749-L756 WeakPolarHBondContact O-CB 3.48Å; D752-L756 WeakPolarHBondContact O-CB 3.47Å; D752-L756 PolarHBondContact O-N 3.48Å; S754-L756 PolarHBondContact O-N 3.25Å; L756-L759 PolarHBondContact O-N 2.97Å; L756-F760 HydrophobicContact CB-CE2 4.43Å; L756-F760 HydrophobicContact CD1-CD2 4.35Å; L756-F760 HydrophobicContact CD1-CE2 3.94Å; L756-F760 HydrophobicContact CD1-CZ 4.06Å; L756-F760 HydrophobicContact CD2-CD2 4.42Å; L756-F760 HydrophobicContact CD2-CE2 3.57Å; L756-F760 HydrophobicContact CD2-CZ 4.03Å; L756-F760 HydrophobicContact CG-CD2 3.72Å; L756-F760 HydrophobicContact CG-CE2 3.31Å; L756-F760 HydrophobicContact CG-CZ 3.9Å; L756-F760 VanDerWaalsContact O-CB 3.27Å; L756-F760 WeakPolarHBondContact O-CB 3.36Å; L756-F760 WeakPolarHBondContact O-CD2 3.39Å; L756-F760 WeakPolarHBondContact O-CG 3.44Å; L756-F760 PolarHBondContact O-N 3.11Å; L756-L791 HydrophobicContact CB-CD2 4.02Å; L756-L791 HydrophobicContact CD2-CD2 3.79Å; L756-L791 HydrophobicContact CG-CD2 3.94Å
757A69.3Low79Confident13 Ų1359.7 Ų59.711%0.10732%0.321CS..Hα-helixtrans-53.4-60.6168.400000111.1P753 S754 Q755 L759 F760 P761 L791 F792P753-A757 WeakPolarHBondContact O-CB 3.36Å; P753-A757 PolarHBondContact O-N 3.03Å; S754-A757 WeakPolarHBondContact O-CB 3.23Å; S754-A757 PolarHBondContact O-N 3.34Å; Q755-A757 VanDerWaalsContact C-N 3.34Å; A757-L759 PolarHBondContact O-N 2.92Å; A757-F760 PolarHBondContact O-N 3.46Å; A757-P761 VanDerWaalsContact O-CD 3.23Å; A757-P761 WeakPolarHBondContact O-CD 3.26Å; A757-L791 HydrophobicContact CB-CB 4.19Å; A757-L791 WeakPolarHBondContact CB-O 3.25Å; A757-F792 WeakPolarHBondContact O-CE2 3.2Å; A757-F792 WeakPolarHBondContact O-CZ 3.46Å
758D73.6Confident79.4Confident124 Ų12453 Ų5366%0.66330%0.298SS*.Hα-helixtrans-55.7-30.6-176.1-75.6-24.7000114.7S754 Q755S754-D758 PolarHBondContact O-N 3.43Å; Q755-D758 PolarHBondContact O-N 3.45Å
759L79.5Confident79.9Confident37 Ų3753.2 Ų53.219%0.19430%0.299CS..Hα-helixtrans-89.5-24.9-179-70.5163.1000113.4P746 A749 Q755 L756 A757 K762 F763P746-L759 HydrophobicContact CG-CD1 4.22Å; A749-L759 HydrophobicContact CB-CD1 3.3Å; Q755-L759 WeakPolarHBondContact O-CD1 3.32Å; Q755-L759 WeakPolarHBondContact O-CG 3.31Å; Q755-L759 PolarHBondContact O-N 3.5Å; L756-L759 PolarHBondContact O-N 2.97Å; A757-L759 PolarHBondContact O-N 2.92Å; L759-K762 WeakPolarHBondContact O-CB 3.4Å; L759-K762 PolarHBondContact O-N 2.94Å; L759-F763 PolarHBondContact O-N 3.17Å; L759-F763 VanDerWaalsContact O-N 3.15Å
760F76.4Confident80.5Confident6 Ų653.6 Ų53.63%0.02630%0.301CS..Hα-helixtrans-61-38.4-171.2-105.2-43.5000116L661 L756 A757 K762 F763 V764 I787 L791 F792L661-F760 HydrophobicContact CD1-CE1 4.31Å; L661-F760 HydrophobicContact CD1-CZ 4.02Å; L661-F760 HydrophobicContact CD2-CE1 4.19Å; L661-F760 HydrophobicContact CD2-CZ 4.23Å; L661-F760 HydrophobicContact CG-CZ 4.48Å; L756-F760 HydrophobicContact CB-CE2 4.43Å; L756-F760 HydrophobicContact CD1-CD2 4.35Å; L756-F760 HydrophobicContact CD1-CE2 3.94Å; L756-F760 HydrophobicContact CD1-CZ 4.06Å; L756-F760 HydrophobicContact CD2-CD2 4.42Å; L756-F760 HydrophobicContact CD2-CE2 3.57Å; L756-F760 HydrophobicContact CD2-CZ 4.03Å; L756-F760 HydrophobicContact CG-CD2 3.72Å; L756-F760 HydrophobicContact CG-CE2 3.31Å; L756-F760 HydrophobicContact CG-CZ 3.9Å; L756-F760 VanDerWaalsContact O-CB 3.27Å; L756-F760 WeakPolarHBondContact O-CB 3.36Å; L756-F760 WeakPolarHBondContact O-CD2 3.39Å; L756-F760 WeakPolarHBondContact O-CG 3.44Å; L756-F760 PolarHBondContact O-N 3.11Å; A757-F760 PolarHBondContact O-N 3.46Å; F760-K762 PolarHBondContact O-N 3.45Å; F760-F763 HydrophobicContact CD1-CB 4.29Å; F760-F763 AromaticContact CD1-CD1 3.78Å; F760-F763 HydrophobicContact CD1-CD1 3.78Å; F760-F763 HydrophobicContact CD1-CG 4.42Å; F760-F763 AromaticContact CE1-CD1 3.8Å; F760-F763 HydrophobicContact CE1-CD1 3.8Å; F760-F763 HydrophobicContact CE1-CE1 4.25Å; F760-F763 WeakPolarHBondContact O-CB 2.91Å; F760-F763 PolarHBondContact O-N 3.2Å; F760-F763 VanDerWaalsContact O-N 3.12Å; F760-V764 WeakPolarHBondContact O-CG2 3.49Å; F760-V764 PolarHBondContact O-N 2.72Å; F760-I787 HydrophobicContact CB-CG2 3.6Å; F760-I787 HydrophobicContact CD1-CD1 3.67Å; F760-I787 HydrophobicContact CD1-CG1 4.04Å; F760-I787 HydrophobicContact CD1-CG2 3.98Å; F760-I787 HydrophobicContact CD2-CG2 3.91Å; F760-I787 HydrophobicContact CE1-CD1 3.71Å; F760-I787 HydrophobicContact CE1-CG1 3.98Å; F760-I787 HydrophobicContact CE2-CG1 4.47Å; F760-I787 HydrophobicContact CG-CD1 4.39Å; F760-I787 HydrophobicContact CG-CG1 4.37Å; F760-I787 HydrophobicContact CG-CG2 3.58Å; F760-I787 HydrophobicContact CZ-CD1 4.42Å; F760-I787 HydrophobicContact CZ-CG1 4.21Å; F760-L791 HydrophobicContact CD2-CB 4.09Å; F760-L791 HydrophobicContact CD2-CD1 3.48Å; F760-L791 VanDerWaalsContact CD2-CD1 3.48Å; F760-L791 HydrophobicContact CD2-CD2 3.71Å; F760-L791 HydrophobicContact CD2-CG 3.91Å; F760-L791 HydrophobicContact CE2-CD1 3.18Å; F760-L791 HydrophobicContact CE2-CD2 3.51Å; F760-L791 HydrophobicContact CE2-CG 3.83Å; F760-L791 HydrophobicContact CZ-CD1 4.16Å; F760-F792 HydrophobicContact CB-CE2 4.05Å
761P77.3Confident81Confident65 Ų6552 Ų5242%0.42230%0.296SS..Hα-helixtrans-62.9-34.3178.2-25.135.5000112A757 S765 F792A757-P761 VanDerWaalsContact O-CD 3.23Å; A757-P761 WeakPolarHBondContact O-CD 3.26Å; P761-S765 VanDerWaalsContact O-CB 3.24Å; P761-S765 WeakPolarHBondContact O-CB 3.46Å; P761-S765 PolarHBondContact O-N 3.37Å; P761-F792 HydrophobicContact CG-CE1 4.05Å; P761-F792 HydrophobicContact CG-CE2 3.64Å; P761-F792 HydrophobicContact CG-CZ 3.2Å
762K83.6Confident81.6Confident150 Ų15052.3 Ų52.365%0.65229%0.288SS*.Hα-helixtrans-68.2-43.7174.7-59.1172.6-176165.30110.1L759 F760 S765 C766L759-K762 WeakPolarHBondContact O-CB 3.4Å; L759-K762 PolarHBondContact O-N 2.94Å; F760-K762 PolarHBondContact O-N 3.45Å; K762-S765 PolarHBondContact O-N 3.45Å; K762-C766 WeakPolarHBondContact O-CB 3.27Å; K762-C766 PolarHBondContact O-N 2.83Å
763F84.9Confident82.5Confident8 Ų856.9 Ų56.94%0.03531%0.306CS..Hα-helixtrans-60.5-51.1174.3177.7-109.6000112.3F738 C741 F742 M745 L759 F760 S765 C766 I767F738-F763 HydrophobicContact CE1-CE2 4.34Å; F738-F763 AromaticContact CE1-CZ 3.83Å; F738-F763 HydrophobicContact CE1-CZ 3.83Å; F738-F763 AromaticContact CZ-CZ 3.77Å; F738-F763 HydrophobicContact CZ-CZ 3.77Å; C741-F763 HydrophobicContact CB-CD2 4.22Å; C741-F763 HydrophobicContact CB-CE2 4.22Å; F742-F763 HydrophobicContact CB-CE2 4.07Å; F742-F763 HydrophobicContact CD2-CE2 4.32Å; F742-F763 HydrophobicContact CD2-CZ 4.46Å; M745-F763 HydrophobicContact CE-CB 4.26Å; M745-F763 HydrophobicContact CE-CD1 4.28Å; M745-F763 HydrophobicContact CE-CD2 3.39Å; M745-F763 HydrophobicContact CE-CE2 3.69Å; M745-F763 HydrophobicContact CE-CG 3.71Å; M745-F763 HydrophobicContact CE-CZ 4.24Å; M745-F763 HydrophobicContact CG-CB 4.42Å; M745-F763 HydrophobicContact SD-CB 3.64Å; M745-F763 HydrophobicContact SD-CD2 3.92Å; M745-F763 HydrophobicContact SD-CG 3.78Å; L759-F763 PolarHBondContact O-N 3.17Å; L759-F763 VanDerWaalsContact O-N 3.15Å; F760-F763 HydrophobicContact CD1-CB 4.29Å; F760-F763 AromaticContact CD1-CD1 3.78Å; F760-F763 HydrophobicContact CD1-CD1 3.78Å; F760-F763 HydrophobicContact CD1-CG 4.42Å; F760-F763 AromaticContact CE1-CD1 3.8Å; F760-F763 HydrophobicContact CE1-CD1 3.8Å; F760-F763 HydrophobicContact CE1-CE1 4.25Å; F760-F763 WeakPolarHBondContact O-CB 2.91Å; F760-F763 PolarHBondContact O-N 3.2Å; F760-F763 VanDerWaalsContact O-N 3.12Å; F763-S765 VanDerWaalsContact C-N 3.34Å; F763-S765 PolarHBondContact O-N 3.46Å; F763-C766 WeakPolarHBondContact O-CA 3.39Å; F763-C766 WeakPolarHBondContact O-CB 3.44Å; F763-C766 PolarHBondContact O-N 3.46Å; F763-I767 HydrophobicContact CD1-CD1 4.24Å; F763-I767 HydrophobicContact CD2-CG2 4.11Å; F763-I767 HydrophobicContact CE1-CD1 3.7Å; F763-I767 HydrophobicContact CE1-CG1 4.46Å; F763-I767 HydrophobicContact CE1-CG2 4.4Å; F763-I767 HydrophobicContact CE2-CG2 3.61Å; F763-I767 HydrophobicContact CZ-CD1 4.01Å; F763-I767 HydrophobicContact CZ-CG2 3.79Å; F763-I767 WeakPolarHBondContact O-CG1 3.46Å; F763-I767 PolarHBondContact O-N 2.92Å
764V83.6Confident83.6Confident10 Ų1059.2 Ų59.26%0.06131%0.31CS..Hα-helixtrans-57.5-45.1176.8173.80000111.4F760 C766 I767 Q768 R784 I787F760-V764 WeakPolarHBondContact O-CG2 3.49Å; F760-V764 PolarHBondContact O-N 2.72Å; V764-C766 VanDerWaalsContact C-N 3.28Å; V764-C766 PolarHBondContact O-N 2.98Å; V764-I767 PolarHBondContact O-N 3.26Å; V764-Q768 VanDerWaalsContact O-CB 3.31Å; V764-Q768 WeakPolarHBondContact O-CB 3.2Å; V764-Q768 PolarHBondContact O-N 2.85Å; V764-R784 HydrophobicContact CG1-CB 4.38Å; V764-I787 HydrophobicContact CG2-CB 4.47Å; V764-I787 HydrophobicContact CG2-CD1 3.36Å; V764-I787 HydrophobicContact CG2-CG1 4.48Å; V764-I787 HydrophobicContact CG2-CG2 4.25Å
765S87Confident84.5Confident82 Ų8256.4 Ų56.457%0.57329%0.29SS*.Hα-helixtrans-60-38.5176.2-170.80000112.2P761 K762 F763P761-S765 VanDerWaalsContact O-CB 3.24Å; P761-S765 WeakPolarHBondContact O-CB 3.46Å; P761-S765 PolarHBondContact O-N 3.37Å; K762-S765 PolarHBondContact O-N 3.45Å; F763-S765 VanDerWaalsContact C-N 3.34Å; F763-S765 PolarHBondContact O-N 3.46Å
766C90.8Very high85Confident56 Ų5654.4 Ų54.438%0.37829%0.289SS..Hα-helixtrans-69.3-50177.6-167.30000112C741 K762 F763 V764 Q768C741-C766 VanDerWaalsContact CA-SG 3.51Å; C741-C766 HydrophobicContact CB-CB 3.64Å; C741-C766 WeakPolarHBondContact CB-SG 3.39Å; C741-C766 WeakPolarHBondContact SG-CB 3.47Å; C741-C766 CovalentContact SG-SG 2.03Å; C741-C766 PolarHBondContact SG-SG 2.89Å; K762-C766 WeakPolarHBondContact O-CB 3.27Å; K762-C766 PolarHBondContact O-N 2.83Å; F763-C766 WeakPolarHBondContact O-CA 3.39Å; F763-C766 WeakPolarHBondContact O-CB 3.44Å; F763-C766 PolarHBondContact O-N 3.46Å; V764-C766 VanDerWaalsContact C-N 3.28Å; V764-C766 PolarHBondContact O-N 2.98Å; C766-Q768 VanDerWaalsContact C-N 3.31Å; C766-Q768 PolarHBondContact O-N 3.32Å
767I89.7Confident85.6Confident2 Ų257.9 Ų57.91%0.0131%0.308CS..Hα-helixtrans-76-13.9-178.666.4167.2000114F738 C741 F763 V764 V769 P770 L771 V783F738-I767 HydrophobicContact CD1-CG2 4.29Å; F738-I767 HydrophobicContact CD2-CB 3.81Å; F738-I767 HydrophobicContact CD2-CD1 4.48Å; F738-I767 HydrophobicContact CD2-CG2 3.6Å; F738-I767 HydrophobicContact CE1-CG2 4.38Å; F738-I767 HydrophobicContact CE2-CB 3.89Å; F738-I767 HydrophobicContact CE2-CD1 3.69Å; F738-I767 HydrophobicContact CE2-CG1 4.39Å; F738-I767 HydrophobicContact CE2-CG2 3.74Å; F738-I767 HydrophobicContact CG-CG2 3.9Å; F738-I767 HydrophobicContact CZ-CD1 4.09Å; F738-I767 HydrophobicContact CZ-CG2 4.13Å; C741-I767 HydrophobicContact CB-CG2 3.59Å; F763-I767 HydrophobicContact CD1-CD1 4.24Å; F763-I767 HydrophobicContact CD2-CG2 4.11Å; F763-I767 HydrophobicContact CE1-CD1 3.7Å; F763-I767 HydrophobicContact CE1-CG1 4.46Å; F763-I767 HydrophobicContact CE1-CG2 4.4Å; F763-I767 HydrophobicContact CE2-CG2 3.61Å; F763-I767 HydrophobicContact CZ-CD1 4.01Å; F763-I767 HydrophobicContact CZ-CG2 3.79Å; F763-I767 WeakPolarHBondContact O-CG1 3.46Å; F763-I767 PolarHBondContact O-N 2.92Å; V764-I767 PolarHBondContact O-N 3.26Å; I767-V769 PolarHBondContact O-N 3.29Å; I767-V769 VanDerWaalsContact O-N 3.16Å; I767-P770 VanDerWaalsContact O-CD 3.24Å; I767-P770 WeakPolarHBondContact O-CD 3.37Å; I767-P770 VanDerWaalsContact O-CG 3.31Å; I767-P770 WeakPolarHBondContact O-CG 3.21Å; I767-L771 HydrophobicContact CD1-CD2 4.38Å; I767-L771 WeakPolarHBondContact O-CB 3.31Å; I767-L771 PolarHBondContact O-N 3.21Å; I767-V783 HydrophobicContact CD1-CG1 3.95Å
768Q91.1Very high86.1Confident49 Ų4957.9 Ų57.923%0.22931%0.306CS..Hα-helixtrans-55.3-37.3-175.6175.5171.2-58.600113.2V764 C766 R772 V780V764-Q768 VanDerWaalsContact O-CB 3.31Å; V764-Q768 WeakPolarHBondContact O-CB 3.2Å; V764-Q768 PolarHBondContact O-N 2.85Å; C766-Q768 VanDerWaalsContact C-N 3.31Å; C766-Q768 PolarHBondContact O-N 3.32Å; Q768-R772 VanDerWaalsContact O-CB 3.22Å; Q768-R772 WeakPolarHBondContact O-CB 3.47Å; Q768-R772 PolarHBondContact O-N 3.39Å; Q768-V780 HydrophobicContact CG-CG1 3.88Å; Q768-V780 HydrophobicContact CG-CG2 4.39Å
769V91.4Very high86.6Confident99 Ų9952 Ų5260%0.627%0.274SS*.Hα-helixtrans-70-57.1-179.2178.20000112.1I767 L771 R772 K773I767-V769 PolarHBondContact O-N 3.29Å; I767-V769 VanDerWaalsContact O-N 3.16Å; V769-L771 VanDerWaalsContact C-N 3.28Å; V769-L771 PolarHBondContact O-N 3.41Å; V769-R772 PolarHBondContact O-N 3.01Å; V769-K773 VanDerWaalsContact O-CB 3.25Å; V769-K773 WeakPolarHBondContact O-CB 3.48Å; V769-K773 PolarHBondContact O-N 2.9Å
770P91.9Very high86.8Confident8 Ų850.4 Ų50.45%0.05227%0.266CS..Hα-helixtrans-60.5-38.1175.619.5-30.1000112.2E737 I767 K773 K774E737-P770 HydrophobicContact CB-CB 4.14Å; E737-P770 HydrophobicContact CB-CG 4.11Å; I767-P770 VanDerWaalsContact O-CD 3.24Å; I767-P770 WeakPolarHBondContact O-CD 3.37Å; I767-P770 VanDerWaalsContact O-CG 3.31Å; I767-P770 WeakPolarHBondContact O-CG 3.21Å; P770-K773 PolarHBondContact O-N 3.16Å; P770-K774 WeakPolarHBondContact O-CB 3.39Å; P770-K774 PolarHBondContact O-N 2.93Å
771L90.4Very high87Confident3 Ų355.8 Ų55.82%0.01629%0.286CS..Hα-helixtrans-63-49.7179.2-174.261.4000112.5L732 I767 V769 K773 K774 C775 G776 A779 V780 V783L732-L771 HydrophobicContact CD1-CB 4.22Å; L732-L771 HydrophobicContact CD1-CD1 3.75Å; I767-L771 HydrophobicContact CD1-CD2 4.38Å; I767-L771 WeakPolarHBondContact O-CB 3.31Å; I767-L771 PolarHBondContact O-N 3.21Å; V769-L771 VanDerWaalsContact C-N 3.28Å; V769-L771 PolarHBondContact O-N 3.41Å; L771-K773 VanDerWaalsContact C-N 3.32Å; L771-K773 PolarHBondContact O-N 2.83Å; L771-K774 PolarHBondContact O-N 3.04Å; L771-C775 HydrophobicContact CD1-CB 4.07Å; L771-C775 WeakPolarHBondContact O-CA 3.45Å; L771-C775 WeakPolarHBondContact O-CB 3.36Å; L771-C775 PolarHBondContact O-N 2.8Å; L771-G776 PolarHBondContact O-N 3.45Å; L771-A779 HydrophobicContact CD1-CB 3.95Å; L771-A779 HydrophobicContact CG-CB 4.2Å; L771-V780 HydrophobicContact CB-CG2 4.12Å; L771-V780 HydrophobicContact CD2-CB 4.4Å; L771-V780 HydrophobicContact CD2-CG2 3.96Å; L771-V780 HydrophobicContact CG-CG2 3.85Å; L771-V783 HydrophobicContact CD2-CB 3.93Å; L771-V783 HydrophobicContact CD2-CG1 4.33Å; L771-V783 HydrophobicContact CD2-CG2 3.83Å
772R91.6Very high87.1Confident121 Ų12152.7 Ų52.746%0.45727%0.266SS..Hα-helixtrans-59.7-42.9174.5177.3177-78.6159-5.1111.8Q768 V769 K774 G776 D777 V780Q768-R772 VanDerWaalsContact O-CB 3.22Å; Q768-R772 WeakPolarHBondContact O-CB 3.47Å; Q768-R772 PolarHBondContact O-N 3.39Å; V769-R772 PolarHBondContact O-N 3.01Å; R772-K774 VanDerWaalsContact C-N 3.32Å; R772-K774 PolarHBondContact O-N 3.27Å; R772-G776 WeakPolarHBondContact O-CA 3.25Å; R772-G776 PolarHBondContact O-N 2.64Å; R772-G776 VanDerWaalsContact O-N 3.12Å; R772-D777 IonicContact CZ-OD1 2.63Å; R772-D777 IonicContact NE-OD1 2.86Å; R772-D777 PolarHBondContact NE-OD1 3.31Å; R772-D777 IonicContact NE-OD2 3.75Å; R772-D777 IonicContact NH2-OD1 3.08Å; R772-D777 PolarHBondContact NH2-OD1 2.79Å; R772-V780 HydrophobicContact CB-CG2 3.93Å
773K91.5Very high86.9Confident144 Ų14445.9 Ų45.963%0.62624%0.237SC*.Hα-helixtrans-65.8-31.5-176.4178.8-177.2172.4-169.80113.1E737 V769 P770 L771E737-K773 IonicContact OE1-NZ 3.04Å; V769-K773 VanDerWaalsContact O-CB 3.25Å; V769-K773 WeakPolarHBondContact O-CB 3.48Å; V769-K773 PolarHBondContact O-N 2.9Å; P770-K773 PolarHBondContact O-N 3.16Å; L771-K773 VanDerWaalsContact C-N 3.32Å; L771-K773 PolarHBondContact O-N 2.83Å
774K91.3Very high86.7Confident111 Ų11149.2 Ų49.248%0.48325%0.249SC..Hα-helixtrans-104.6-36.8-175.3-70.2-89.8-177.7151.80113.9L732 E735 P770 L771 R772L732-K774 HydrophobicContact CD1-CB 4.16Å; L732-K774 HydrophobicContact CD2-CB 3.64Å; L732-K774 HydrophobicContact CD2-CD 4.3Å; L732-K774 HydrophobicContact CD2-CG 3.82Å; E735-K774 WeakPolarHBondContact OE1-CE 3.45Å; E735-K774 IonicContact OE1-NZ 2.67Å; E735-K774 PolarHBondContact OE1-NZ 3.2Å; E735-K774 IonicContact OE2-NZ 3.8Å; P770-K774 WeakPolarHBondContact O-CB 3.39Å; P770-K774 PolarHBondContact O-N 2.93Å; L771-K774 PolarHBondContact O-N 3.04Å; R772-K774 VanDerWaalsContact C-N 3.32Å; R772-K774 PolarHBondContact O-N 3.27Å
775C89.4Confident86.2Confident22 Ų2249 Ų4915%0.14925%0.248CC..Hα-helixtrans-121.42.1-170.7-520000114C728 L771 A779C728-C775 HydrophobicContact CB-CB 3.85Å; C728-C775 WeakPolarHBondContact CB-SG 3.42Å; C728-C775 PolarHBondContact O-SG 3Å; C728-C775 VanDerWaalsContact SG-CA 3.51Å; C728-C775 WeakPolarHBondContact SG-CB 3.21Å; C728-C775 CovalentContact SG-SG 2.04Å; C728-C775 PolarHBondContact SG-SG 2.87Å; L771-C775 HydrophobicContact CD1-CB 4.07Å; L771-C775 WeakPolarHBondContact O-CA 3.45Å; L771-C775 WeakPolarHBondContact O-CB 3.36Å; L771-C775 PolarHBondContact O-N 2.8Å; C775-A779 HydrophobicContact CB-CB 3.39Å; C775-A779 WeakPolarHBondContact O-CB 3.29Å
776G87.8Confident85.4Confident32 Ų3245.4 Ų45.433%0.3322%0.223SC..Hα-helixtrans78.9-179.9177.700000115.1L771 R772L771-G776 PolarHBondContact O-N 3.45Å; R772-G776 WeakPolarHBondContact O-CA 3.25Å; R772-G776 PolarHBondContact O-N 2.64Å; R772-G776 VanDerWaalsContact O-N 3.12Å
777D85Confident84.4Confident74 Ų7443.1 Ų43.140%0.39621%0.206SC..Hα-helixtrans-71.6-29.8-176.6-90.1-54.4000113.8R772 V780 R781R772-D777 IonicContact CZ-OD1 2.63Å; R772-D777 IonicContact NE-OD1 2.86Å; R772-D777 PolarHBondContact NE-OD1 3.31Å; R772-D777 IonicContact NE-OD2 3.75Å; R772-D777 IonicContact NH2-OD1 3.08Å; R772-D777 PolarHBondContact NH2-OD1 2.79Å; D777-V780 WeakPolarHBondContact O-CB 3.4Å; D777-V780 PolarHBondContact O-N 3.35Å; D777-R781 WeakPolarHBondContact O-CG 3.2Å; D777-R781 PolarHBondContact O-N 3Å
778N81.1Confident83.4Confident13 Ų1343.7 Ų43.77%0.0721%0.209CC..Hα-helixtrans-68.1-36.9179.2-78.4-25.9000112D718 V780 R781 L782D718-N778 PolarHBondContact OD2-ND2 3.36Å; N778-V780 VanDerWaalsContact C-N 3.35Å; N778-V780 PolarHBondContact O-N 3.42Å; N778-R781 PolarHBondContact O-N 3.21Å; N778-R781 PolarHBondContact OD1-NH1 3.48Å; N778-L782 VanDerWaalsContact O-CB 3.29Å; N778-L782 WeakPolarHBondContact O-CB 3.18Å; N778-L782 PolarHBondContact O-N 2.98Å
779A83.9Confident82.2Confident0 Ų042.7 Ų42.70%021%0.205CC..Hα-helixtrans-58.8-42.7169.700000112.7L771 C775 L782 V783L771-A779 HydrophobicContact CD1-CB 3.95Å; L771-A779 HydrophobicContact CG-CB 4.2Å; C775-A779 HydrophobicContact CB-CB 3.39Å; C775-A779 WeakPolarHBondContact O-CB 3.29Å; A779-L782 PolarHBondContact O-N 3.36Å; A779-V783 WeakPolarHBondContact O-CB 3.37Å; A779-V783 WeakPolarHBondContact O-CG2 2.96Å; A779-V783 PolarHBondContact O-N 3.28Å
780V83.8Confident80.7Confident4 Ų439.2 Ų39.22%0.02418%0.184CC..Hα-helixtrans-63.1-42.4175.41770000111.9Q768 L771 R772 D777 N778 R784Q768-V780 HydrophobicContact CG-CG1 3.88Å; Q768-V780 HydrophobicContact CG-CG2 4.39Å; L771-V780 HydrophobicContact CB-CG2 4.12Å; L771-V780 HydrophobicContact CD2-CB 4.4Å; L771-V780 HydrophobicContact CD2-CG2 3.96Å; L771-V780 HydrophobicContact CG-CG2 3.85Å; R772-V780 HydrophobicContact CB-CG2 3.93Å; D777-V780 WeakPolarHBondContact O-CB 3.4Å; D777-V780 PolarHBondContact O-N 3.35Å; N778-V780 VanDerWaalsContact C-N 3.35Å; N778-V780 PolarHBondContact O-N 3.42Å; V780-R784 VanDerWaalsContact O-CB 3.32Å; V780-R784 WeakPolarHBondContact O-CB 3.49Å; V780-R784 PolarHBondContact O-N 3.03Å
781R79.2Confident79.1Confident119 Ų11940 Ų4045%0.44919%0.187SC..Hα-helixtrans-63.5-43.6176-69.9171-178.6162.5-3.5111.4D777 N778 S785D777-R781 WeakPolarHBondContact O-CG 3.2Å; D777-R781 PolarHBondContact O-N 3Å; N778-R781 PolarHBondContact O-N 3.21Å; N778-R781 PolarHBondContact OD1-NH1 3.48Å; R781-S785 VanDerWaalsContact O-CB 3.28Å; R781-S785 WeakPolarHBondContact O-CB 3.12Å; R781-S785 PolarHBondContact O-N 2.76Å; R781-S785 PolarHBondContact O-OG 2.94Å
782L79.6Confident77.6Confident0 Ų042.5 Ų42.50%020%0.198CC..Hα-helixtrans-65.9-48.2-178.4-174.258.7000111.7F675 V708 L722 Q725 L726 N778 A779 S785 L786F675-L782 HydrophobicContact CD1-CD1 4.11Å; F675-L782 HydrophobicContact CD2-CD1 4.16Å; F675-L782 HydrophobicContact CE1-CD1 3.91Å; F675-L782 HydrophobicContact CE2-CD1 3.93Å; F675-L782 HydrophobicContact CG-CD1 4.24Å; F675-L782 HydrophobicContact CZ-CD1 3.81Å; V708-L782 HydrophobicContact CG1-CD1 3.76Å; V708-L782 HydrophobicContact CG2-CD1 4.2Å; L722-L782 HydrophobicContact CD1-CD1 3.94Å; L722-L782 HydrophobicContact CD1-CD2 3.59Å; L722-L782 HydrophobicContact CD1-CG 4.43Å; Q725-L782 HydrophobicContact CB-CD2 4.17Å; L726-L782 HydrophobicContact CD1-CD2 4.5Å; L726-L782 HydrophobicContact CD2-CD2 3.47Å; L726-L782 VanDerWaalsContact CD2-CD2 3.47Å; L726-L782 HydrophobicContact CD2-CG 3.8Å; L726-L782 HydrophobicContact CG-CD2 3.62Å; L726-L782 HydrophobicContact CG-CG 4.46Å; N778-L782 VanDerWaalsContact O-CB 3.29Å; N778-L782 WeakPolarHBondContact O-CB 3.18Å; N778-L782 PolarHBondContact O-N 2.98Å; A779-L782 PolarHBondContact O-N 3.36Å; L782-S785 PolarHBondContact O-N 2.76Å; L782-L786 WeakPolarHBondContact O-CB 3.02Å; L782-L786 PolarHBondContact O-N 3.1Å
783V81.1Confident75.7Confident6 Ų641.3 Ų41.34%0.03620%0.201CC..Hα-helixtrans-63.8-42.2176.6171.60000111.7I767 L771 A779 S785 I787I767-V783 HydrophobicContact CD1-CG1 3.95Å; L771-V783 HydrophobicContact CD2-CB 3.93Å; L771-V783 HydrophobicContact CD2-CG1 4.33Å; L771-V783 HydrophobicContact CD2-CG2 3.83Å; A779-V783 WeakPolarHBondContact O-CB 3.37Å; A779-V783 WeakPolarHBondContact O-CG2 2.96Å; A779-V783 PolarHBondContact O-N 3.28Å; V783-S785 VanDerWaalsContact C-N 3.32Å; V783-S785 PolarHBondContact O-N 2.03Å; V783-I787 HydrophobicContact CG1-CD1 3.78Å; V783-I787 WeakPolarHBondContact O-CB 3.26Å; V783-I787 WeakPolarHBondContact O-CD1 3.05Å; V783-I787 WeakPolarHBondContact O-CG1 3.29Å; V783-I787 PolarHBondContact O-N 3.42Å; V783-I787 VanDerWaalsContact O-N 3.1Å
784R79.2Confident73.7Confident79 Ų7936.5 Ų36.530%0.29818%0.184SC..Hα-helixtrans-60.4-43.1173.9177.1175.2-75.4111.80.6111.6V764 V780 I787 N788V764-R784 HydrophobicContact CG1-CB 4.38Å; V780-R784 VanDerWaalsContact O-CB 3.32Å; V780-R784 WeakPolarHBondContact O-CB 3.49Å; V780-R784 PolarHBondContact O-N 3.03Å; R784-I787 PolarHBondContact O-N 3.15Å; R784-N788 VanDerWaalsContact O-CB 3.28Å; R784-N788 WeakPolarHBondContact O-CB 3.14Å; R784-N788 PolarHBondContact O-N 3.22Å; R784-N788 PolarHBondContact O-OD1 3.12Å
785S73.3Confident71.7Confident6 Ų634.6 Ų34.64%0.04218%0.177CC..Hα-helixtrans-74.1-36.6-176.3-57.70000113.1V708 R781 L782 V783 N788 E789V708-S785 WeakPolarHBondContact CG2-OG 3.49Å; R781-S785 VanDerWaalsContact O-CB 3.28Å; R781-S785 WeakPolarHBondContact O-CB 3.12Å; R781-S785 PolarHBondContact O-N 2.76Å; R781-S785 PolarHBondContact O-OG 2.94Å; L782-S785 PolarHBondContact O-N 2.76Å; V783-S785 VanDerWaalsContact C-N 3.32Å; V783-S785 PolarHBondContact O-N 2.03Å; S785-N788 PolarHBondContact O-N 3.13Å; S785-E789 PolarHBondContact O-N 2.98Å
786L71.3Confident70.1Confident6 Ų636 Ų363%0.03118%0.183CC..Hα-helixtrans-53.7-53.5167.8169.662.4000111L653 V664 L671 F675 F730 L782 N788 V790L653-L786 HydrophobicContact CD1-CD1 4.02Å; V664-L786 HydrophobicContact CG1-CD2 4.41Å; L671-L786 HydrophobicContact CD1-CD1 3.51Å; L671-L786 HydrophobicContact CD2-CD1 3.8Å; L671-L786 HydrophobicContact CD2-CD2 3.52Å; L671-L786 HydrophobicContact CD2-CG 4.26Å; L671-L786 HydrophobicContact CG-CD1 4.28Å; F675-L786 HydrophobicContact CE2-CB 4.2Å; F675-L786 HydrophobicContact CE2-CD1 4.03Å; F675-L786 HydrophobicContact CZ-CB 3.91Å; F675-L786 HydrophobicContact CZ-CD1 4.17Å; F730-L786 HydrophobicContact CZ-CD2 3.76Å; L782-L786 WeakPolarHBondContact O-CB 3.02Å; L782-L786 PolarHBondContact O-N 3.1Å; L786-N788 VanDerWaalsContact C-N 3.29Å; L786-N788 PolarHBondContact O-N 3.07Å; L786-V790 VanDerWaalsContact O-CG2 3.28Å; L786-V790 WeakPolarHBondContact O-CG2 3.36Å
787I69.7Low68.7Low7 Ų739 Ų394%0.03620%0.199CC..Hα-helixtrans-66-38.6-176.2-75.3166.5000110F760 V764 V783 R784 L791 F792F760-I787 HydrophobicContact CB-CG2 3.6Å; F760-I787 HydrophobicContact CD1-CD1 3.67Å; F760-I787 HydrophobicContact CD1-CG1 4.04Å; F760-I787 HydrophobicContact CD1-CG2 3.98Å; F760-I787 HydrophobicContact CD2-CG2 3.91Å; F760-I787 HydrophobicContact CE1-CD1 3.71Å; F760-I787 HydrophobicContact CE1-CG1 3.98Å; F760-I787 HydrophobicContact CE2-CG1 4.47Å; F760-I787 HydrophobicContact CG-CD1 4.39Å; F760-I787 HydrophobicContact CG-CG1 4.37Å; F760-I787 HydrophobicContact CG-CG2 3.58Å; F760-I787 HydrophobicContact CZ-CD1 4.42Å; F760-I787 HydrophobicContact CZ-CG1 4.21Å; V764-I787 HydrophobicContact CG2-CB 4.47Å; V764-I787 HydrophobicContact CG2-CD1 3.36Å; V764-I787 HydrophobicContact CG2-CG1 4.48Å; V764-I787 HydrophobicContact CG2-CG2 4.25Å; V783-I787 HydrophobicContact CG1-CD1 3.78Å; V783-I787 WeakPolarHBondContact O-CB 3.26Å; V783-I787 WeakPolarHBondContact O-CD1 3.05Å; V783-I787 WeakPolarHBondContact O-CG1 3.29Å; V783-I787 PolarHBondContact O-N 3.42Å; V783-I787 VanDerWaalsContact O-N 3.1Å; R784-I787 PolarHBondContact O-N 3.15Å; I787-L791 HydrophobicContact CB-CD1 4.49Å; I787-L791 HydrophobicContact CG2-CD1 4.36Å; I787-L791 WeakPolarHBondContact O-CB 3.36Å; I787-L791 WeakPolarHBondContact O-CD1 3.38Å; I787-L791 PolarHBondContact O-N 2.99Å; I787-F792 HydrophobicContact CG2-CD2 4.39Å; I787-F792 HydrophobicContact CG2-CE2 4.44Å
788N68.4Low67.6Low14 Ų1437.9 Ų37.98%0.07520%0.197CC..Hα-helixtrans-74.9-36-177-747.6000114.4C704 R784 S785 L786 V790 F792 D796 S798C704-N788 HydrophobicContact CB-CB 4.48Å; C704-N788 WeakPolarHBondContact SG-CB 3.35Å; R784-N788 VanDerWaalsContact O-CB 3.28Å; R784-N788 WeakPolarHBondContact O-CB 3.14Å; R784-N788 PolarHBondContact O-N 3.22Å; R784-N788 PolarHBondContact O-OD1 3.12Å; S785-N788 PolarHBondContact O-N 3.13Å; L786-N788 VanDerWaalsContact C-N 3.29Å; L786-N788 PolarHBondContact O-N 3.07Å; N788-V790 VanDerWaalsContact C-N 3.28Å; N788-V790 PolarHBondContact O-N 3.04Å; N788-F792 HydrophobicContact CB-CB 4.45Å; N788-F792 WeakPolarHBondContact O-CB 3.14Å; N788-F792 PolarHBondContact O-N 3.03Å; N788-D796 PolarHBondContact ND2-OD2 3.4Å; N788-S798 PolarHBondContact ND2-OG 3Å
789E66Low67.1Low29 Ų2937.3 Ų37.314%0.13619%0.194CC..Hα-helixtrans-67.8-25.4176.7-85.6-79.3160.800113.8L653 S703 C704 L705 S785L653-E789 HydrophobicContact CD2-CB 4.07Å; S703-E789 WeakPolarHBondContact CA-OE1 3Å; S703-E789 PolarHBondContact OG-OE1 2.04Å; C704-E789 HydrophobicContact CB-CG 3.64Å; C704-E789 PolarHBondContact N-OE1 3.2Å; L705-E789 HydrophobicContact CB-CG 4.02Å; L705-E789 PolarHBondContact N-OE1 2.76Å; S785-E789 PolarHBondContact O-N 2.98Å
790V59.3Low66.5Low26 Ų2639.4 Ų39.416%0.15821%0.207CC..Hα-helixtrans-107.9-31.7-170-161.70000113.3L653 K654 V657 L786 N788L653-V790 HydrophobicContact CB-CG2 4.18Å; L653-V790 HydrophobicContact CD1-CG2 4.4Å; L653-V790 HydrophobicContact CD2-CG2 3.28Å; L653-V790 HydrophobicContact CG-CG2 3.31Å; K654-V790 HydrophobicContact CG-CG1 4.3Å; V657-V790 HydrophobicContact CB-CB 4.25Å; V657-V790 HydrophobicContact CB-CG1 3.41Å; V657-V790 VanDerWaalsContact CB-CG1 3.41Å; V657-V790 HydrophobicContact CG1-CB 4.37Å; V657-V790 HydrophobicContact CG1-CG1 3.8Å; V657-V790 HydrophobicContact CG2-CB 3.9Å; V657-V790 HydrophobicContact CG2-CG1 3.51Å; V657-V790 HydrophobicContact CG2-CG2 3.94Å; L786-V790 VanDerWaalsContact O-CG2 3.28Å; L786-V790 WeakPolarHBondContact O-CG2 3.36Å; N788-V790 VanDerWaalsContact C-N 3.28Å; N788-V790 PolarHBondContact O-N 3.04Å
791L58.6Low65.9Low23 Ų2339.5 Ų39.512%0.1221%0.207CC..Hα-helixtrans-117.3-15.6-171.9-58.1117.3000112.5V657 L756 A757 F760 I787V657-L791 HydrophobicContact CG1-CD1 3.79Å; V657-L791 HydrophobicContact CG1-CD2 3.73Å; V657-L791 HydrophobicContact CG1-CG 3.84Å; L756-L791 HydrophobicContact CB-CD2 4.02Å; L756-L791 HydrophobicContact CD2-CD2 3.79Å; L756-L791 HydrophobicContact CG-CD2 3.94Å; A757-L791 HydrophobicContact CB-CB 4.19Å; A757-L791 WeakPolarHBondContact CB-O 3.25Å; F760-L791 HydrophobicContact CD2-CB 4.09Å; F760-L791 HydrophobicContact CD2-CD1 3.48Å; F760-L791 VanDerWaalsContact CD2-CD1 3.48Å; F760-L791 HydrophobicContact CD2-CD2 3.71Å; F760-L791 HydrophobicContact CD2-CG 3.91Å; F760-L791 HydrophobicContact CE2-CD1 3.18Å; F760-L791 HydrophobicContact CE2-CD2 3.51Å; F760-L791 HydrophobicContact CE2-CG 3.83Å; F760-L791 HydrophobicContact CZ-CD1 4.16Å; I787-L791 HydrophobicContact CB-CD1 4.49Å; I787-L791 HydrophobicContact CG2-CD1 4.36Å; I787-L791 WeakPolarHBondContact O-CB 3.36Å; I787-L791 WeakPolarHBondContact O-CD1 3.38Å; I787-L791 PolarHBondContact O-N 2.99Å
792F59.1Low65.5Low56 Ų5637.1 Ų37.125%0.24620%0.204CC..SBendtrans-105.7148.3178.6-84-80.3000113.9A757 F760 P761 I787 N788A757-F792 WeakPolarHBondContact O-CE2 3.2Å; A757-F792 WeakPolarHBondContact O-CZ 3.46Å; F760-F792 HydrophobicContact CB-CE2 4.05Å; P761-F792 HydrophobicContact CG-CE1 4.05Å; P761-F792 HydrophobicContact CG-CE2 3.64Å; P761-F792 HydrophobicContact CG-CZ 3.2Å; I787-F792 HydrophobicContact CG2-CD2 4.39Å; I787-F792 HydrophobicContact CG2-CE2 4.44Å; N788-F792 HydrophobicContact CB-CB 4.45Å; N788-F792 WeakPolarHBondContact O-CB 3.14Å; N788-F792 PolarHBondContact O-N 3.03Å
793N52.1Low65Low96 Ų9637.3 Ų37.351%0.51320%0.204SC..  trans-54.6126.4165.6-174.4-28.9000108.4H795 D796N793-H795 PolarHBondContact O-N 2.61Å; N793-H795 WeakPolarHBondContact OD1-CB 3.45Å; N793-H795 PolarHBondContact OD1-CD2 3.13Å; N793-H795 VanDerWaalsContact OD1-CG 3.24Å; N793-H795 PolarHBondContact OD1-N 2.93Å; N793-D796 PolarHBondContact O-N 3.39Å
794P48.8Very low64.4Low43 Ų4345.3 Ų45.328%0.27924%0.239SC..THydrogen-bonded Turntrans-59.3-5179.224.2-37.1000114.5F627 S702 D796F627-P794 HydrophobicContact CB-CB 4.43Å; F627-P794 HydrophobicContact CD1-CB 4.02Å; F627-P794 HydrophobicContact CD1-CG 3.77Å; F627-P794 HydrophobicContact CD2-CB 3.18Å; F627-P794 HydrophobicContact CD2-CG 3.76Å; F627-P794 HydrophobicContact CE1-CB 4.08Å; F627-P794 HydrophobicContact CE1-CG 3.49Å; F627-P794 VanDerWaalsContact CE1-CG 3.49Å; F627-P794 HydrophobicContact CE2-CB 3.24Å; F627-P794 HydrophobicContact CE2-CG 3.46Å; F627-P794 VanDerWaalsContact CE2-CG 3.46Å; F627-P794 HydrophobicContact CG-CB 3.6Å; F627-P794 HydrophobicContact CG-CG 3.91Å; F627-P794 HydrophobicContact CZ-CB 3.75Å; F627-P794 HydrophobicContact CZ-CG 3.35Å; S702-P794 WeakPolarHBondContact CB-O 3.38Å; S702-P794 PolarHBondContact OG-O 3.41Å; P794-D796 PolarHBondContact O-N 3.2Å
795H48.3Very low63.7Low72 Ų7244.7 Ų44.733%0.33325%0.247SC..THydrogen-bonded Turntrans-77.21.4170.2-58.2-29.1000114.6R587 N793 S797R587-H795 WeakPolarHBondContact CA-NE2 3.22Å; R587-H795 WeakPolarHBondContact CB-NE2 3.47Å; R587-H795 WeakPolarHBondContact CG-NE2 3.38Å; R587-H795 PolarHBondContact O-CD2 3.27Å; R587-H795 PolarHBondContact O-NE2 3.18Å; N793-H795 PolarHBondContact O-N 2.61Å; N793-H795 WeakPolarHBondContact OD1-CB 3.45Å; N793-H795 PolarHBondContact OD1-CD2 3.13Å; N793-H795 VanDerWaalsContact OD1-CG 3.24Å; N793-H795 PolarHBondContact OD1-N 2.93Å; H795-S797 PolarHBondContact O-N 3.33Å; H795-S797 VanDerWaalsContact O-N 3.09Å
796D56.3Low63.2Low50 Ų5044.4 Ų44.427%0.26725%0.245SC..  trans-62.4113.9168-176.77.2000111.3N788 N793 P794 S798 C799N788-D796 PolarHBondContact ND2-OD2 3.4Å; N793-D796 PolarHBondContact O-N 3.39Å; P794-D796 PolarHBondContact O-N 3.2Å; D796-S798 PolarHBondContact O-N 2.84Å; D796-S798 WeakPolarHBondContact OD1-CB 3.46Å; D796-S798 PolarHBondContact OD1-N 2.97Å; D796-S798 PolarHBondContact OD1-OG 3.48Å; D796-S798 WeakPolarHBondContact OD2-CB 3.41Å; D796-S798 PolarHBondContact OD2-OG 3.48Å; D796-C799 PolarHBondContact O-N 3.21Å; D796-C799 VanDerWaalsContact O-N 3.14Å
797S59.1Low62.8Low97 Ų9746.7 Ų46.768%0.67825%0.253SS*.G310 helixtrans-48.4-24.7172.962.80000115.1H795 C799 V800H795-S797 PolarHBondContact O-N 3.33Å; H795-S797 VanDerWaalsContact O-N 3.09Å; S797-C799 PolarHBondContact O-N 3.02Å; S797-V800 PolarHBondContact O-N 3.39Å
798S61.7Low62.4Low49 Ų4952.3 Ų52.334%0.34328%0.279SS..G310 helixtrans-66.1-19.2-179.4800000114.1N788 D796N788-S798 PolarHBondContact ND2-OG 3Å; D796-S798 PolarHBondContact O-N 2.84Å; D796-S798 WeakPolarHBondContact OD1-CB 3.46Å; D796-S798 PolarHBondContact OD1-N 2.97Å; D796-S798 PolarHBondContact OD1-OG 3.48Å; D796-S798 WeakPolarHBondContact OD2-CB 3.41Å; D796-S798 PolarHBondContact OD2-OG 3.48Å
799C70.8Confident61.7Low2 Ų256.1 Ų56.11%0.01431%0.305CS..G310 helixtrans-105.811.3-179.6-61.60000114S702 S703 C704 D796 S797 V801S702-C799 WeakPolarHBondContact CA-O 3.11Å; S703-C799 PolarHBondContact N-O 3Å; C704-C799 HydrophobicContact CB-CB 3.8Å; C704-C799 WeakPolarHBondContact CB-SG 3.42Å; C704-C799 WeakPolarHBondContact SG-CB 3.35Å; C704-C799 CovalentContact SG-SG 2.02Å; C704-C799 PolarHBondContact SG-SG 2.96Å; D796-C799 PolarHBondContact O-N 3.21Å; D796-C799 VanDerWaalsContact O-N 3.14Å; S797-C799 PolarHBondContact O-N 3.02Å; C799-V801 PolarHBondContact O-N 3.45Å
800V70.8Confident61.2Low43 Ų4356.9 Ų56.926%0.26131%0.307SS..EExtended strand (participates in β ladder)trans-77.8106.1-179179.60000111.2I629 Q700 I701 S797I629-V800 HydrophobicContact CD1-CG2 3.81Å; Q700-V800 HydrophobicContact CB-CG1 4Å; Q700-V800 HydrophobicContact CG-CG1 4.47Å; I701-V800 CarbonylContact O-C 3.59Å; I701-V800 WeakPolarHBondContact O-CA 3.32Å; S797-V800 PolarHBondContact O-N 3.39Å
801V71.4Confident60.8Low6 Ų662.2 Ų62.24%0.03633%0.33CS..EExtended strand (participates in β ladder)trans-82.2115.5169.1-176.50000109.4I701 I706 N707 L710 C799 L806I701-V801 PolarHBondContact N-O 2.98Å; I701-V801 VanDerWaalsContact N-O 3.09Å; I701-V801 WeakPolarHBondContact O-CA 3.44Å; I701-V801 PolarHBondContact O-N 3.45Å; I706-V801 HydrophobicContact CG2-CG2 4.4Å; N707-V801 HydrophobicContact CB-CG2 3.74Å; L710-V801 HydrophobicContact CD1-CB 4.43Å; L710-V801 HydrophobicContact CD1-CG1 3.41Å; L710-V801 VanDerWaalsContact CD1-CG1 3.41Å; L710-V801 HydrophobicContact CD1-CG2 4.15Å; C799-V801 PolarHBondContact O-N 3.45Å; V801-L806 HydrophobicContact CG1-CD1 3.66Å; V801-L806 HydrophobicContact CG1-CG 3.99Å
802N69.9Low60.1Low70 Ų7066.4 Ų66.437%0.37436%0.357SS..EExtended strand (participates in β ladder)trans-78.8134.8167.5-172.2-53.8000109.9K804 S805N802-K804 PolarHBondContact O-N 2.98Å; N802-K804 VanDerWaalsContact O-N 3.07Å; N802-K804 VanDerWaalsContact OD1-CB 3.32Å; N802-K804 WeakPolarHBondContact OD1-CB 3.3Å; N802-K804 PolarHBondContact OD1-N 3.07Å; N802-S805 WeakPolarHBondContact O-CB 2.93Å; N802-S805 PolarHBondContact O-N 2.99Å; N802-S805 PolarHBondContact O-OG 2.93Å
803F69Low59.2Low3 Ų370.8 Ų70.81%0.01338%0.381CS..Hα-helixtrans-62.6-18.3-179-59.5-46.4000115.7V639 W689 C699 I701 S805 L806V639-F803 HydrophobicContact CG2-CZ 4.27Å; W689-F803 HydrophobicContact CD2-CD1 4.37Å; W689-F803 HydrophobicContact CD2-CE1 4.34Å; W689-F803 AromaticContact CE2-CD1 3.38Å; W689-F803 AromaticContact CE2-CE1 3.59Å; W689-F803 AromaticContact CE2-CG 3.84Å; W689-F803 AromaticContact CH2-CD1 3.91Å; W689-F803 HydrophobicContact CH2-CD1 3.91Å; W689-F803 HydrophobicContact CH2-CD2 4.18Å; W689-F803 AromaticContact CH2-CE1 3.3Å; W689-F803 HydrophobicContact CH2-CE1 3.3Å; W689-F803 AromaticContact CH2-CE2 3.54Å; W689-F803 HydrophobicContact CH2-CE2 3.54Å; W689-F803 HydrophobicContact CH2-CG 4.34Å; W689-F803 AromaticContact CH2-CZ 3.09Å; W689-F803 HydrophobicContact CH2-CZ 3.09Å; W689-F803 HydrophobicContact CZ2-CB 4.34Å; W689-F803 AromaticContact CZ2-CD1 3.14Å; W689-F803 HydrophobicContact CZ2-CD1 3.14Å; W689-F803 AromaticContact CZ2-CD2 3.48Å; W689-F803 HydrophobicContact CZ2-CD2 3.48Å; W689-F803 VanDerWaalsContact CZ2-CD2 3.48Å; W689-F803 AromaticContact CZ2-CE1 3.06Å; W689-F803 HydrophobicContact CZ2-CE1 3.06Å; W689-F803 AromaticContact CZ2-CE2 3.32Å; W689-F803 HydrophobicContact CZ2-CE2 3.32Å; W689-F803 AromaticContact CZ2-CG 3.39Å; W689-F803 HydrophobicContact CZ2-CG 3.39Å; W689-F803 AromaticContact CZ2-CZ 3.16Å; W689-F803 HydrophobicContact CZ2-CZ 3.16Å; W689-F803 HydrophobicContact CZ3-CE1 4.09Å; W689-F803 HydrophobicContact CZ3-CZ 4.11Å; W689-F803 AromaticContact NE1-CD1 3.54Å; W689-F803 AromaticContact NE1-CG 3.86Å; C699-F803 HydrophobicContact CB-CD2 4.31Å; C699-F803 HydrophobicContact CB-CE2 3.53Å; C699-F803 HydrophobicContact CB-CZ 4.43Å; C699-F803 WeakPolarHBondContact O-CD2 3.49Å; C699-F803 WeakPolarHBondContact O-CE2 3.25Å; C699-F803 WeakPolarHBondContact SG-CE2 3.34Å; I701-F803 HydrophobicContact CB-CE1 4.23Å; I701-F803 HydrophobicContact CD1-CE1 3.59Å; I701-F803 HydrophobicContact CD1-CZ 4.09Å; I701-F803 HydrophobicContact CG1-CE1 3.58Å; I701-F803 HydrophobicContact CG1-CZ 3.72Å; F803-S805 PolarHBondContact O-N 3.38Å; F803-L806 HydrophobicContact CD1-CD1 3.63Å; F803-L806 HydrophobicContact CE1-CD1 4.1Å; F803-L806 PolarHBondContact O-N 3.32Å
804K68.4Low58.5Low175 Ų17572.4 Ų72.476%0.76139%0.39SS*.Hα-helixtrans-59.8-34.2171-163177.5-179.3-175.10111.5N802N802-K804 PolarHBondContact O-N 2.98Å; N802-K804 VanDerWaalsContact O-N 3.07Å; N802-K804 VanDerWaalsContact OD1-CB 3.32Å; N802-K804 WeakPolarHBondContact OD1-CB 3.3Å; N802-K804 PolarHBondContact OD1-N 3.07Å
805S65.5Low57.9Low66 Ų6675.8 Ų75.846%0.46242%0.415SS..Hα-helixtrans-76-27.6177.1-49.10000113.3N802 F803 R807N802-S805 WeakPolarHBondContact O-CB 2.93Å; N802-S805 PolarHBondContact O-N 2.99Å; N802-S805 PolarHBondContact O-OG 2.93Å; F803-S805 PolarHBondContact O-N 3.38Å; S805-R807 VanDerWaalsContact C-N 3.3Å; S805-R807 PolarHBondContact O-N 2.92Å
806L63.3Low57.3Low0 Ų078.8 Ų78.80%044%0.438CS..Hα-helixtrans-72.9-17178.4-97.8156.1000113.8F685 D686 L710 V801 F803F685-L806 HydrophobicContact CD1-CD2 4.05Å; F685-L806 HydrophobicContact CE1-CD1 3.97Å; F685-L806 HydrophobicContact CE1-CD2 3.73Å; D686-L806 VanDerWaalsContact OD1-O 3.08Å; L710-L806 HydrophobicContact CD1-CD1 4.26Å; L710-L806 HydrophobicContact CD1-CD2 3.75Å; L710-L806 HydrophobicContact CD1-CG 3.63Å; L710-L806 HydrophobicContact CD2-CD2 3.55Å; L710-L806 HydrophobicContact CD2-CG 4.15Å; L710-L806 HydrophobicContact CG-CD2 4.22Å; V801-L806 HydrophobicContact CG1-CD1 3.66Å; V801-L806 HydrophobicContact CG1-CG 3.99Å; F803-L806 HydrophobicContact CD1-CD1 3.63Å; F803-L806 HydrophobicContact CE1-CD1 4.1Å; F803-L806 PolarHBondContact O-N 3.32Å
807R61.4Low56.3Low53 Ų5381.1 Ų81.120%0.246%0.464CS..THydrogen-bonded Turntrans-90.8-8.2-169.7-78.5-172.6-179.4131.61.9116.6I693 N694 Y695 S805I693-R807 PolarHBondContact O-NH2 2.96Å; N694-R807 VanDerWaalsContact C-NH2 3.32Å; N694-R807 PolarHBondContact O-NH2 3.18Å; Y695-R807 PolarHBondContact O-NH1 3.45Å; S805-R807 VanDerWaalsContact C-N 3.3Å; S805-R807 PolarHBondContact O-N 2.92Å
808E62.2Low55.1Low125 Ų12580.9 Ų80.958%0.58446%0.463SS*.SBendtrans-79121.8171.4-8.1167115.900108.1K714K714-E808 WeakPolarHBondContact CE-O 3Å; K714-E808 PolarHBondContact NZ-O 3.09Å; K714-E808 IonicContact NZ-OE2 2.97Å; K714-E808 PolarHBondContact NZ-OE2 3.31Å
809P54Low54Low95 Ų9586.6 Ų86.662%0.61749%0.49SS*.  trans-63.9148.5-162.424.6-35.3000113.2E811P809-E811 PolarHBondContact O-N 2.68Å
810F54.6Low52.3Low45 Ų4592.9 Ų92.920%0.19753%0.528CS..  trans-65.6102.4157-75.4-97.9000108.2M682 D686 L710 K714 V812M682-F810 HydrophobicContact CB-CZ 4.39Å; M682-F810 HydrophobicContact CG-CE1 3.94Å; M682-F810 HydrophobicContact CG-CE2 4.14Å; M682-F810 HydrophobicContact CG-CZ 3.37Å; M682-F810 HydrophobicContact SD-CZ 4.45Å; D686-F810 HydrophobicContact CB-CD2 3.66Å; D686-F810 HydrophobicContact CB-CE2 3.68Å; D686-F810 VanDerWaalsContact CG-CD2 3.42Å; L710-F810 HydrophobicContact CD2-CE2 4.08Å; L710-F810 HydrophobicContact CD2-CZ 4.04Å; K714-F810 HydrophobicContact CB-CE1 4.12Å; K714-F810 HydrophobicContact CB-CZ 4.38Å; K714-F810 HydrophobicContact CD-CZ 4.43Å; K714-F810 HydrophobicContact CG-CE1 4.25Å; K714-F810 HydrophobicContact CG-CZ 4.45Å; F810-V812 PolarHBondContact O-N 3.45Å
811E50.4Low50.6Low137 Ų13798 Ų9864%0.6455%0.553SS**  trans-61.9104.7165.7-80.9-175.6-126.500108.5K716 P809 I813K716-E811 IonicContact NZ-OE1 3.26Å; K716-E811 PolarHBondContact NZ-OE1 3.36Å; K716-E811 IonicContact NZ-OE2 3.02Å; K716-E811 PolarHBondContact NZ-OE2 2.02Å; P809-E811 PolarHBondContact O-N 2.68Å; E811-I813 PolarHBondContact O-N 3.44Å
812V44Very low48.9Very low112 Ų112107.6 Ų107.668%0.67960%0.595SS**  trans-61.9109.5179.6178.80000108.8F810 N814F810-V812 PolarHBondContact O-N 3.45Å; V812-N814 PolarHBondContact O-N 2.84Å
813I41.3Very low47.3Very low148 Ų148113.1 Ų113.176%0.75962%0.62SS**  trans-67.6100.2166.7-57.7176.8000106.6E811 S815E811-I813 PolarHBondContact O-N 3.44Å; I813-S815 PolarHBondContact O-N 2.81Å
814N36.7Very low45.6Very low129 Ų129121.6 Ų121.669%0.6966%0.66SS**  trans-63.8102171.2-81.7-22.1000109V812 T816V812-N814 PolarHBondContact O-N 2.84Å; N814-T816 PolarHBondContact O-N 3.16Å; N814-T816 PolarHBondContact O-OG1 2.82Å
815S36Very low44.1Very low115 Ų115119.8 Ų119.880%0.80466%0.664SS**  trans-73.456.8176.948.90000112.4I813 A817I813-S815 PolarHBondContact O-N 2.81Å; S815-A817 VanDerWaalsContact C-N 3.34Å
816T36.9Very low42.7Very low135 Ų135122 Ų12283%0.82867%0.674SS**  trans-91.31217422.10000113.7N814N814-T816 PolarHBondContact O-N 3.16Å; N814-T816 PolarHBondContact O-OG1 2.82Å
817A33.9Very low41.3Very low98 Ų98127.9 Ų127.981%0.8171%0.71SS**SBendtrans-145.752-176.100000114.1S815S815-A817 VanDerWaalsContact C-N 3.34Å
818S35.7Very low40.2Very low92 Ų92134.2 Ų134.264%0.64374%0.742SS**  trans-156.376158.6-158.60000112.4
819N36.8Very low39.2Very low170 Ų170134.3 Ų134.391%0.90975%0.753SS**SBendtrans-128.316.7170.3-102.8-7.1000111.8
820T36.5Very low38.7Very low134 Ų134136.2 Ų136.282%0.82276%0.757SS**SBendtrans-144.528-169.554.10000113.5
821L34Very low38.3Very low151 Ų151137.5 Ų137.579%0.79177%0.772SS**  trans-145.248.7-179-121.3154.7000113
822F35.5Very low38.2Very low206 Ų206136 Ų13690%0.90477%0.771SS**SBendtrans-142.486.3167.6-108.1-89.2000107.7
823M37.7Very low38.7Very low186 Ų186133.8 Ų133.892%0.91677%0.765SS**SBendtrans-173.1-12.8162.2-104.9-52.7138.300115.9
824E33.8Very low39.3Very low182 Ų182129.8 Ų129.885%0.8575%0.75SS**  trans-131.691.4-175.5-72.2-173.813100114.3
825V36.1Very low39.7Very low137 Ų137128.5 Ų128.583%0.8374%0.743SS**  trans-165.590.3137.1175.10000104.5
826V36.5Very low40.3Very low112 Ų112127.6 Ų127.668%0.67973%0.726SS**  58.473.378.8-173.60000110.9
827T34Very low41.1Very low124 Ų124123.9 Ų123.976%0.76171%0.709SS**  58.489.699.764.50000116.1
828E38.4Very low42Very low185 Ų185125.7 Ų125.786%0.86470%0.701SS**  trans-129.5131.2139.4-74-164.9153.400108.5I830E828-I830 PolarHBondContact O-N 3.31Å
829P40.1Very low42.6Very low127 Ų127124.5 Ų124.583%0.82569%0.69SS**  trans-79.4111.2176.430.6-31.2000110S831P829-S831 PolarHBondContact O-N 3.09Å
830I43.2Very low43.3Very low136 Ų136118.3 Ų118.370%0.69766%0.659SS**  trans-59.6122.1165.3-60.5174.6000107.2E828E828-I830 PolarHBondContact O-N 3.31Å
831S47.1Very low44.1Very low72 Ų72117.9 Ų117.950%0.50365%0.652SS.*  trans-70.1138-179.261.50000110.4P829 A833 S834P829-S831 PolarHBondContact O-N 3.09Å; S831-A833 PolarHBondContact O-N 3.31Å; S831-A833 VanDerWaalsContact O-N 3.13Å; S831-S834 WeakPolarHBondContact O-CB 3.07Å; S831-S834 PolarHBondContact O-N 2.82Å
832V48.6Very low44.7Very low104 Ų104117.1 Ų117.163%0.6365%0.647SS**Hα-helixtrans-53.5-36.7179.9-179.60000111.3S834 L835 E836V832-S834 PolarHBondContact O-N 3.18Å; V832-L835 PolarHBondContact O-N 3.21Å; V832-E836 HydrophobicContact CG1-CG 4.23Å; V832-E836 WeakPolarHBondContact O-CG 3.29Å; V832-E836 PolarHBondContact O-N 2.89Å
833A54.6Low45.3Very low67 Ų67113.4 Ų113.455%0.55463%0.631SS**Hα-helixtrans-60.2-22.5175.900000115.2S831S831-A833 PolarHBondContact O-N 3.31Å; S831-A833 VanDerWaalsContact O-N 3.13Å
834S52.6Low45.7Very low64 Ų64108 Ų10845%0.44861%0.611SS.*Hα-helixtrans-82.5-28.2173.8-162.80000112.3S831 V832S831-S834 WeakPolarHBondContact O-CB 3.07Å; S831-S834 PolarHBondContact O-N 2.82Å; V832-S834 PolarHBondContact O-N 3.18Å
835L46Very low46.1Very low102 Ų102107.5 Ų107.553%0.53461%0.611SS.*Hα-helixtrans-79.6-36.2177.6-136.878.5000111.4V832 A837 V839V832-L835 PolarHBondContact O-N 3.21Å; L835-A837 VanDerWaalsContact C-N 3.26Å; L835-A837 PolarHBondContact O-N 3.15Å; L835-V839 WeakPolarHBondContact O-CB 3.33Å; L835-V839 VanDerWaalsContact O-CG2 3.26Å; L835-V839 WeakPolarHBondContact O-CG2 3.48Å; L835-V839 PolarHBondContact O-N 3.3Å
836E48.9Very low46.6Very low96 Ų96108 Ų10845%0.44961%0.609SS.*Hα-helixtrans-59.4-35176.3-73.3171.7164.300112.8V832 C840V832-E836 HydrophobicContact CG1-CG 4.23Å; V832-E836 WeakPolarHBondContact O-CG 3.29Å; V832-E836 PolarHBondContact O-N 2.89Å; E836-C840 PolarHBondContact O-N 2.89Å
837A54Low46.8Very low57 Ų57109.2 Ų109.247%0.47161%0.605SS.*Hα-helixtrans-71.8-52.9-179.600000112.7L835 V839 D841L835-A837 VanDerWaalsContact C-N 3.26Å; L835-A837 PolarHBondContact O-N 3.15Å; A837-V839 VanDerWaalsContact C-N 3.3Å; A837-V839 PolarHBondContact O-N 2.99Å; A837-D841 PolarHBondContact O-N 3.13Å
838E52.1Low47.3Very low135 Ų135113.2 Ų113.263%0.63161%0.612SS**Hα-helixtrans-65.7-32.5-178.8-69.7-170.9142.300112.5I842E838-I842 WeakPolarHBondContact O-CG1 3.37Å; E838-I842 PolarHBondContact O-N 3.11Å
839V48.1Very low47.7Very low68 Ų68110 Ų11041%0.41260%0.601SS.*Hα-helixtrans-71.2-46179.8173.60000112L835 A837 F843L835-V839 WeakPolarHBondContact O-CB 3.33Å; L835-V839 VanDerWaalsContact O-CG2 3.26Å; L835-V839 WeakPolarHBondContact O-CG2 3.48Å; L835-V839 PolarHBondContact O-N 3.3Å; A837-V839 VanDerWaalsContact C-N 3.3Å; A837-V839 PolarHBondContact O-N 2.99Å; V839-F843 WeakPolarHBondContact O-CD2 3.47Å
840C52.4Low48.1Very low39 Ų39110.5 Ų110.526%0.26460%0.596SS.*Hα-helixtrans-72.4-29.2178-73.90000112.9E836 I842 F843 S844 C853E836-C840 PolarHBondContact O-N 2.89Å; C840-I842 VanDerWaalsContact C-N 3.32Å; C840-I842 PolarHBondContact O-N 3.07Å; C840-F843 PolarHBondContact O-N 3.22Å; C840-S844 WeakPolarHBondContact O-CB 3.25Å; C840-S844 PolarHBondContact O-N 3.05Å; C840-C853 HydrophobicContact CB-CB 4.46Å; C840-C853 WeakPolarHBondContact CB-SG 3.47Å; C840-C853 WeakPolarHBondContact SG-CB 3.41Å; C840-C853 CovalentContact SG-SG 2.07Å; C840-C853 PolarHBondContact SG-SG 3.49Å
841D52.1Low48.6Very low126 Ų126109.2 Ų109.267%0.67460%0.595SS**Hα-helixtrans-63.2-34.9175.8-92-11.4000112.8A837A837-D841 PolarHBondContact O-N 3.13Å
842I46.7Very low48.6Very low134 Ų134110.9 Ų110.969%0.68760%0.598SS**Hα-helixtrans-68.6-32.9175.1-68.5169000112E838 C840E838-I842 WeakPolarHBondContact O-CG1 3.37Å; E838-I842 PolarHBondContact O-N 3.11Å; C840-I842 VanDerWaalsContact C-N 3.32Å; C840-I842 PolarHBondContact O-N 3.07Å
843F48Very low48.5Very low129 Ų129107.8 Ų107.857%0.56658%0.58SS**Hα-helixtrans-90.1-18.8-178.5-81.9-87.9000114.5V839 C840 M845V839-F843 WeakPolarHBondContact O-CD2 3.47Å; C840-F843 PolarHBondContact O-N 3.22Å; F843-M845 PolarHBondContact O-N 3.29Å; F843-M845 VanDerWaalsContact O-N 3.13Å
844S46.6Very low48.4Very low73 Ų73112.5 Ų112.551%0.5159%0.588SS.*THydrogen-bonded Turntrans-67.1-12.5-174.1-161.60000114.8C840 N846C840-S844 WeakPolarHBondContact O-CB 3.25Å; C840-S844 PolarHBondContact O-N 3.05Å; S844-N846 PolarHBondContact O-N 3.23Å
845M41.8Very low48.6Very low171 Ų171112.8 Ų112.884%0.84259%0.591SS**THydrogen-bonded Turntrans-78.7-9.9-178.2-79.1-162.8165.300116.2F843F843-M845 PolarHBondContact O-N 3.29Å; F843-M845 VanDerWaalsContact O-N 3.13Å
846N46.4Very low48.4Very low146 Ų146113.2 Ų113.278%0.78159%0.593SS**THydrogen-bonded Turntrans-132.6-2.8-173.3-83.9-62.5000117.1S844S844-N846 PolarHBondContact O-N 3.23Å
847F41Very low48.7Very low139 Ų139111.7 Ų111.761%0.6159%0.587SS**  trans-124.7128.2177.4-74.9-85.5000111.4D849F847-D849 VanDerWaalsContact C-N 3.26Å; F847-D849 PolarHBondContact O-N 2.69Å
848K44.3Very low49Very low208 Ų208114.2 Ų114.290%0.90460%0.597SS**SBendtrans-81.3-0.2-175.9-112-177.7179.6-179.80114.6
849D46.8Very low48.9Very low117 Ų117111.8 Ų111.863%0.62660%0.6SS**  trans-128.4104.3-172.1-64.9-62.5000111.3F847 V851F847-D849 VanDerWaalsContact C-N 3.26Å; F847-D849 PolarHBondContact O-N 2.69Å; D849-V851 PolarHBondContact O-N 3.25Å
850N48.8Very low49Very low137 Ų137117.6 Ų117.673%0.73363%0.627SS**THydrogen-bonded Turntrans-61.3-5.8-178.5-72.8-12.4000115L852N850-L852 VanDerWaalsContact C-N 3.32Å; N850-L852 PolarHBondContact O-N 3.27Å
851V54.4Low48.8Very low109 Ų109121.6 Ų121.666%0.66165%0.645SS**Hα-helixtrans-70.1-28.6-175.9-174.80000111.9D849 S855D849-V851 PolarHBondContact O-N 3.25Å; V851-S855 PolarHBondContact O-OG 3Å
852L46.6Very low48.7Very low108 Ų108121.3 Ų121.357%0.56564%0.643SS**Hα-helixtrans-77.1-31.1-176-82.2161000114.7N850 F854 S855 L856N850-L852 VanDerWaalsContact C-N 3.32Å; N850-L852 PolarHBondContact O-N 3.27Å; L852-F854 VanDerWaalsContact C-N 3.31Å; L852-F854 PolarHBondContact O-N 2.97Å; L852-S855 PolarHBondContact O-N 3.31Å; L852-L856 PolarHBondContact O-N 2.8Å; L852-L856 VanDerWaalsContact O-N 3.15Å
853C47.4Very low48.8Very low39 Ų39120.6 Ų120.626%0.26464%0.641SS.*Hα-helixtrans-62.4-42.1178.4-137.80000110.4C840 L856 I857C840-C853 HydrophobicContact CB-CB 4.46Å; C840-C853 WeakPolarHBondContact CB-SG 3.47Å; C840-C853 WeakPolarHBondContact SG-CB 3.41Å; C840-C853 CovalentContact SG-SG 2.07Å; C840-C853 PolarHBondContact SG-SG 3.49Å; C853-L856 PolarHBondContact O-N 3.03Å; C853-I857 WeakPolarHBondContact O-CG1 3.23Å; C853-I857 PolarHBondContact O-N 3.15Å; C853-I857 VanDerWaalsContact O-N 3.16Å
854F51.1Low48.8Very low165 Ų165120.1 Ų120.172%0.72465%0.645SS**Hα-helixtrans-65.2-41178-119.8-85.6000113.1L852 T858L852-F854 VanDerWaalsContact C-N 3.31Å; L852-F854 PolarHBondContact O-N 2.97Å; F854-T858 PolarHBondContact O-N 2.73Å; F854-T858 VanDerWaalsContact O-N 3.15Å; F854-T858 PolarHBondContact O-OG1 2.95Å
855S57.7Low48.9Very low71 Ų71123.1 Ų123.150%0.49765%0.654SS.*Hα-helixtrans-67-35.7179.5-560000112.9V851 L852 A859V851-S855 PolarHBondContact O-OG 3Å; L852-S855 PolarHBondContact O-N 3.31Å; S855-A859 PolarHBondContact O-N 3.21Å
856L42Very low49.4Very low111 Ų111119.9 Ų119.958%0.58164%0.641SS**Hα-helixtrans-74.2-39.6179.8-149.778.9000112L852 C853 T858 A859 I860L852-L856 PolarHBondContact O-N 2.8Å; L852-L856 VanDerWaalsContact O-N 3.15Å; C853-L856 PolarHBondContact O-N 3.03Å; L856-T858 VanDerWaalsContact C-N 3.27Å; L856-T858 PolarHBondContact O-N 2.9Å; L856-A859 PolarHBondContact O-N 2.81Å; L856-A859 VanDerWaalsContact O-N 3.17Å; L856-I860 WeakPolarHBondContact O-CG1 3.39Å; L856-I860 PolarHBondContact O-N 3.34Å
857I55.2Low49.6Very low63 Ų63118 Ų11832%0.32363%0.631SS.*Hα-helixtrans-69.6-24.3177-66.9168.8000112C853 A859C853-I857 WeakPolarHBondContact O-CG1 3.23Å; C853-I857 PolarHBondContact O-N 3.15Å; C853-I857 VanDerWaalsContact O-N 3.16Å; I857-A859 VanDerWaalsContact C-N 3.32Å
858T58.8Low50.3Low111 Ų111116.4 Ų116.468%0.68163%0.633SS**THydrogen-bonded Turntrans-84.8-6174.6-42.60000112.8F854 L856F854-T858 PolarHBondContact O-N 2.73Å; F854-T858 VanDerWaalsContact O-N 3.15Å; F854-T858 PolarHBondContact O-OG1 2.95Å; L856-T858 VanDerWaalsContact C-N 3.27Å; L856-T858 PolarHBondContact O-N 2.9Å
859A50.2Low50.8Low84 Ų84108.8 Ų108.869%0.69461%0.61SS**  trans-108-2.2-17900000113.7S855 L856 I857S855-A859 PolarHBondContact O-N 3.21Å; L856-A859 PolarHBondContact O-N 2.81Å; L856-A859 VanDerWaalsContact O-N 3.17Å; I857-A859 VanDerWaalsContact C-N 3.32Å
860I50.6Low51.2Low190 Ų190108 Ų10897%0.97461%0.609SS**  trans-109.70175.3-63.7171.2000107.9L856L856-I860 WeakPolarHBondContact O-CG1 3.39Å; L856-I860 PolarHBondContact O-N 3.34Å

Retrieved 860 of 860 residues in 1606.1 ms (Link to these results)

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